| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 52.4 | Low | 74.1 | Confident | 32 Ų | 32 | 88.9 Ų | 88.9 | 16% | 0.158 | 45% | 0.452 | C | S | . | . | 0 | 142.8 | 0 | -70.9 | -174.9 | -81.7 | 0 | 0 | 106.8 | L14 Q15 A16 Y68 C70 S81 A83 | M1-L14 HydrophobicContact CG-CB 4.44Å; M1-L14 HydrophobicContact SD-CB 3.81Å; M1-L14 HydrophobicContact SD-CD1 4.48Å; M1-Q15 WeakPolarHBondContact CG-O 3.34Å; M1-A16 HydrophobicContact CG-CB 3.92Å; M1-Y68 WeakPolarHBondContact CE-O 3.45Å; M1-C70 HydrophobicContact CE-CB 3.36Å; M1-C70 VanDerWaalsContact CE-N 3.3Å; M1-C70 HydrophobicContact SD-CB 4.27Å; M1-S81 WeakPolarHBondContact CE-O 3.4Å; M1-S81 PolarHBondContact N-OG 2.97Å; M1-A83 HydrophobicContact CB-CB 3.34Å | |||
| 2 | N | 63.9 | Low | 74.7 | Confident | 147 Ų | 147 | 82.3 Ų | 82.3 | 79% | 0.786 | 42% | 0.419 | S | S | * | . | trans | -91.3 | 138.3 | 171.5 | -72 | -12.1 | 0 | 0 | 0 | 109 | L14 | N2-L14 VanDerWaalsContact O-CD2 3.31Å; N2-L14 WeakPolarHBondContact O-CD2 3.27Å | ||
| 3 | G | 69.9 | Low | 75.4 | Confident | 48 Ų | 48 | 80.8 Ų | 80.8 | 50% | 0.495 | 42% | 0.42 | S | S | . | . | trans | -69.4 | 160.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S84 | G3-S84 CarbonylContact C-O 3.6Å; G3-S84 WeakPolarHBondContact CA-O 3.33Å | ||
| 4 | A | 75.9 | Confident | 75.6 | Confident | 23 Ų | 23 | 75.2 Ų | 75.2 | 19% | 0.19 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 130.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V6 V12 S84 I85 V86 | A4-V6 HydrophobicContact CB-CG1 4.21Å; A4-V12 HydrophobicContact CB-CG1 3.73Å; A4-V12 HydrophobicContact CB-CG2 3.94Å; A4-S84 PolarHBondContact N-O 2.88Å; A4-I85 CarbonylContact O-C 3.53Å; A4-I85 WeakPolarHBondContact O-CA 3.32Å; A4-V86 PolarHBondContact O-N 3.35Å |
| 5 | R | 83.9 | Confident | 75.6 | Confident | 186 Ų | 186 | 77.3 Ų | 77.3 | 70% | 0.702 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 122.3 | 162.3 | -95.4 | 180 | -170.7 | -123.5 | 10.4 | 107.4 | V86 E88 | R5-V86 CarbonylContact C-O 3.45Å; R5-V86 VanDerWaalsContact CA-O 3.26Å; R5-V86 WeakPolarHBondContact CA-O 3.39Å; R5-V86 HydrophobicContact CG-CB 3.75Å; R5-V86 HydrophobicContact CG-CG1 4.06Å; R5-V86 HydrophobicContact CG-CG2 4.48Å; R5-E88 IonicContact CZ-OE1 3.63Å; R5-E88 IonicContact NH1-OE1 2.77Å; R5-E88 PolarHBondContact NH1-OE1 3.49Å |
| 6 | V | 82.6 | Confident | 75 | Confident | 19 Ų | 19 | 72.9 Ų | 72.9 | 12% | 0.115 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 161.1 | -172.7 | -69.1 | 0 | 0 | 0 | 0 | 111.1 | A4 D10 V12 V60 I85 V86 C87 E88 | A4-V6 HydrophobicContact CB-CG1 4.21Å; V6-D10 HydrophobicContact CB-CB 3.72Å; V6-D10 WeakPolarHBondContact CB-OD2 3.33Å; V6-D10 HydrophobicContact CG1-CB 4.07Å; V6-D10 HydrophobicContact CG2-CB 4.42Å; V6-V12 HydrophobicContact CB-CG2 4.16Å; V6-V12 HydrophobicContact CG1-CG2 3.37Å; V6-V12 HydrophobicContact CG2-CG2 3.84Å; V6-V60 HydrophobicContact CG2-CB 4.09Å; V6-V60 HydrophobicContact CG2-CG1 3.75Å; V6-V60 HydrophobicContact CG2-CG2 4.32Å; V6-I85 HydrophobicContact CG2-CG2 4.32Å; V6-V86 PolarHBondContact N-O 3.06Å; V6-C87 CarbonylContact O-C 3.56Å; V6-C87 WeakPolarHBondContact O-CA 3.28Å; V6-E88 PolarHBondContact O-N 2.78Å |
| 7 | K | 78.1 | Confident | 74.5 | Confident | 133 Ų | 133 | 71.1 Ų | 71.1 | 58% | 0.578 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 155.7 | 168.4 | -66.6 | -177.9 | 179.4 | -177.4 | 0 | 109.6 | G9 D10 | K7-G9 PolarHBondContact O-N 3.27Å; K7-D10 PolarHBondContact N-OD2 2.68Å; K7-D10 WeakPolarHBondContact O-CB 3.24Å; K7-D10 PolarHBondContact O-N 2.77Å; K7-D10 VanDerWaalsContact O-N 3.11Å |
| 8 | E | 77.3 | Confident | 73.7 | Confident | 99 Ų | 99 | 68.1 Ų | 68.1 | 46% | 0.463 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 125.5 | 170.6 | -171 | 157.4 | -155.2 | 0 | 0 | 110 | Y61 C87 E88 | E8-Y61 HydrophobicContact CG-CD1 4.02Å; E8-C87 WeakPolarHBondContact CA-SG 3.49Å; E8-C87 PolarHBondContact N-SG 2.93Å; E8-C87 VanDerWaalsContact N-SG 3.43Å; E8-E88 PolarHBondContact N-O 2.86Å |
| 9 | G | 71.9 | Confident | 72.6 | Confident | 42 Ų | 42 | 67.1 Ų | 67.1 | 43% | 0.433 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.3 | -16.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | K7 P59 V60 | K7-G9 PolarHBondContact O-N 3.27Å; G9-P59 WeakPolarHBondContact O-CB 3.31Å; G9-V60 PolarHBondContact N-O 2.77Å |
| 10 | D | 77.8 | Confident | 71.5 | Confident | 71 Ų | 71 | 68.9 Ų | 68.9 | 38% | 0.38 | 37% | 0.369 | S | S | . | . | trans | -70.8 | 158 | -179.2 | -76.8 | -20 | 0 | 0 | 0 | 113.1 | V6 K7 P59 V60 | V6-D10 HydrophobicContact CB-CB 3.72Å; V6-D10 WeakPolarHBondContact CB-OD2 3.33Å; V6-D10 HydrophobicContact CG1-CB 4.07Å; V6-D10 HydrophobicContact CG2-CB 4.42Å; K7-D10 PolarHBondContact N-OD2 2.68Å; K7-D10 WeakPolarHBondContact O-CB 3.24Å; K7-D10 PolarHBondContact O-N 2.77Å; K7-D10 VanDerWaalsContact O-N 3.11Å; D10-P59 CarbonylContact O-C 3.49Å; D10-V60 PolarHBondContact O-N 2.82Å | ||
| 11 | R | 81.9 | Confident | 70.2 | Confident | 178 Ų | 178 | 73.3 Ų | 73.3 | 67% | 0.672 | 39% | 0.385 | S | S | * | . | trans | -94 | 129.7 | 172.7 | -63.1 | -179.1 | 177.7 | 175.2 | 1.3 | 110.5 | F57 N58 | R11-F57 WeakPolarHBondContact CA-O 3.45Å; R11-N58 WeakPolarHBondContact CD-OD1 3.25Å; R11-N58 HydrophobicContact CG-CB 4.4Å; R11-N58 WeakPolarHBondContact CG-OD1 3.29Å; R11-N58 PolarHBondContact NE-OD1 3.35Å | ||
| 12 | V | 81.1 | Confident | 69.6 | Low | 9 Ų | 9 | 78.8 Ų | 78.8 | 6% | 0.055 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 134.9 | 177.4 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | A4 V6 L14 S56 F57 V60 I85 | A4-V12 HydrophobicContact CB-CG1 3.73Å; A4-V12 HydrophobicContact CB-CG2 3.94Å; V6-V12 HydrophobicContact CB-CG2 4.16Å; V6-V12 HydrophobicContact CG1-CG2 3.37Å; V6-V12 HydrophobicContact CG2-CG2 3.84Å; V12-L14 HydrophobicContact CG1-CD2 4.06Å; V12-L14 HydrophobicContact CG1-CG 4.36Å; V12-S56 CarbonylContact O-C 3.46Å; V12-S56 WeakPolarHBondContact O-CA 3.37Å; V12-F57 HydrophobicContact CB-CB 4.42Å; V12-F57 HydrophobicContact CB-CD2 4.42Å; V12-F57 HydrophobicContact CG1-CD2 4.45Å; V12-F57 PolarHBondContact N-O 2.74Å; V12-F57 PolarHBondContact O-N 2.8Å; V12-V60 HydrophobicContact CB-CG2 3.63Å; V12-V60 HydrophobicContact CG2-CG2 3.54Å; V12-I85 HydrophobicContact CB-CD1 4.49Å; V12-I85 HydrophobicContact CG1-CD1 3.86Å; V12-I85 HydrophobicContact CG1-CG1 4.24Å |
| 13 | C | 83.1 | Confident | 68.2 | Low | 64 Ų | 64 | 75.8 Ų | 75.8 | 43% | 0.432 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 112.4 | 171.8 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | Q15 S56 | C13-Q15 WeakPolarHBondContact SG-CG 3.27Å; C13-S56 PolarHBondContact SG-OG 3.21Å |
| 14 | L | 78.7 | Confident | 66.3 | Low | 2 Ų | 2 | 77.1 Ų | 77.1 | 1% | 0.01 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 109.5 | 172.2 | -56.4 | -178.1 | 0 | 0 | 0 | 108.9 | M1 N2 V12 S54 L55 F57 Y68 A83 I85 | M1-L14 HydrophobicContact CG-CB 4.44Å; M1-L14 HydrophobicContact SD-CB 3.81Å; M1-L14 HydrophobicContact SD-CD1 4.48Å; N2-L14 VanDerWaalsContact O-CD2 3.31Å; N2-L14 WeakPolarHBondContact O-CD2 3.27Å; V12-L14 HydrophobicContact CG1-CD2 4.06Å; V12-L14 HydrophobicContact CG1-CG 4.36Å; L14-S54 CarbonylContact O-C 3.45Å; L14-S54 WeakPolarHBondContact O-CA 3.25Å; L14-L55 HydrophobicContact CB-CB 4.32Å; L14-L55 HydrophobicContact CD1-CD2 4.42Å; L14-L55 PolarHBondContact N-O 2.83Å; L14-L55 PolarHBondContact O-N 3.39Å; L14-F57 HydrophobicContact CD1-CE2 4.13Å; L14-F57 HydrophobicContact CG-CE2 4.3Å; L14-Y68 HydrophobicContact CD1-CD1 4.48Å; L14-Y68 HydrophobicContact CD1-CD2 3.71Å; L14-Y68 HydrophobicContact CD1-CG 3.69Å; L14-A83 HydrophobicContact CD2-CB 4.14Å; L14-I85 HydrophobicContact CD1-CD1 3.93Å; L14-I85 HydrophobicContact CD1-CG1 4.16Å; L14-I85 HydrophobicContact CD2-CD1 4.41Å; L14-I85 HydrophobicContact CD2-CG1 4.23Å; L14-I85 HydrophobicContact CG-CD1 4.19Å; L14-I85 HydrophobicContact CG-CG1 4.48Å |
| 15 | Q | 75.3 | Confident | 64.2 | Low | 106 Ų | 106 | 82.6 Ų | 82.6 | 50% | 0.495 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 133.7 | 177 | -61.2 | -171.8 | -46.8 | 0 | 0 | 111.7 | M1 C13 S54 | M1-Q15 WeakPolarHBondContact CG-O 3.34Å; C13-Q15 WeakPolarHBondContact SG-CG 3.27Å; Q15-S54 WeakPolarHBondContact CG-OG 3.17Å; Q15-S54 PolarHBondContact NE2-OG 2.94Å |
| 16 | A | 65.9 | Low | 61.7 | Low | 7 Ų | 7 | 79.3 Ų | 79.3 | 6% | 0.058 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 112.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | M1 Y52 V53 C70 | M1-A16 HydrophobicContact CG-CB 3.92Å; A16-Y52 CarbonylContact O-C 3.54Å; A16-Y52 WeakPolarHBondContact O-CA 3.39Å; A16-V53 HydrophobicContact CB-CB 4.49Å; A16-V53 PolarHBondContact N-O 3.13Å; A16-V53 PolarHBondContact O-N 2.81Å; A16-C70 HydrophobicContact CB-CB 4.27Å |
| 17 | K | 66.4 | Low | 59.2 | Low | 42 Ų | 42 | 81.2 Ų | 81.2 | 18% | 0.183 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 150.3 | 163.9 | -168 | 173.8 | -172.9 | -178.9 | 0 | 108.6 | G51 Y52 F976 N977 T978 M979 | K17-G51 CarbonylContact C-O 3.53Å; K17-G51 WeakPolarHBondContact CA-O 3.49Å; K17-G51 VanDerWaalsContact CG-O 3.26Å; K17-G51 WeakPolarHBondContact CG-O 3.49Å; K17-Y52 HydrophobicContact CB-CD1 3.79Å; K17-Y52 HydrophobicContact CB-CE1 3.67Å; K17-Y52 HydrophobicContact CD-CE1 4.14Å; K17-Y52 HydrophobicContact CG-CD1 4.09Å; K17-Y52 HydrophobicContact CG-CE1 3.85Å; K17-Y52 HydrophobicContact CG-CE2 4.48Å; K17-F976 PolarHBondContact NZ-O 2.92Å; K17-N977 VanDerWaalsContact CD-C 3.49Å; K17-T978 VanDerWaalsContact CB-C 3.48Å; K17-T978 WeakPolarHBondContact CB-O 3.28Å; K17-T978 WeakPolarHBondContact CD-O 3.34Å; K17-M979 HydrophobicContact CB-CB 3.9Å; K17-M979 HydrophobicContact CB-CG 3.56Å; K17-M979 HydrophobicContact CD-CB 3.98Å; K17-M979 HydrophobicContact CD-CG 4.42Å; K17-M979 HydrophobicContact CG-CB 3.95Å; K17-M979 HydrophobicContact CG-CG 3.83Å; K17-M979 WeakPolarHBondContact O-CE 3.22Å; K17-M979 WeakPolarHBondContact O-CG 3.37Å |
| 18 | V | 59.9 | Low | 57 | Low | 17 Ų | 17 | 81.3 Ų | 81.3 | 10% | 0.103 | 43% | 0.426 | C | S | . | . | trans | -114.3 | 111.2 | 167.5 | -171.3 | 0 | 0 | 0 | 0 | 106.2 | P20 F29 G51 V53 I72 | V18-P20 VanDerWaalsContact O-CD 3.23Å; V18-P20 WeakPolarHBondContact O-CD 3.17Å; V18-F29 HydrophobicContact CG1-CD1 3.98Å; V18-F29 HydrophobicContact CG1-CE1 3.67Å; V18-F29 HydrophobicContact CG1-CZ 4.26Å; V18-G51 WeakPolarHBondContact CA-O 3.47Å; V18-G51 PolarHBondContact N-O 3.38Å; V18-V53 HydrophobicContact CG2-CG2 3.71Å; V18-I72 HydrophobicContact CB-CD1 4.32Å; V18-I72 HydrophobicContact CG1-CD1 4.22Å; V18-I72 HydrophobicContact CG1-CG2 4.16Å; V18-I72 HydrophobicContact CG2-CD1 3.67Å; V18-I72 HydrophobicContact CG2-CG1 4.42Å | ||
| 19 | A | 53.5 | Low | 54.9 | Low | 50 Ų | 50 | 81.5 Ų | 81.5 | 41% | 0.413 | 43% | 0.425 | S | S | . | . | trans | -73.1 | 119 | 176.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | K21 M979 | A19-K21 PolarHBondContact O-N 3.14Å; A19-M979 HydrophobicContact CB-CB 3.66Å; A19-M979 HydrophobicContact CB-CG 3.86Å; A19-M979 HydrophobicContact CB-SD 3.56Å; A19-M979 VanDerWaalsContact CB-SD 3.56Å; A19-M979 PolarHBondContact N-SD 3.22Å | ||
| 20 | P | 50.1 | Low | 53 | Low | 103 Ų | 103 | 87.8 Ų | 87.8 | 67% | 0.669 | 44% | 0.44 | S | S | * | . | trans | -63.4 | 108 | 165.1 | 25.7 | -29.3 | 0 | 0 | 0 | 106.7 | V18 H22 | V18-P20 VanDerWaalsContact O-CD 3.23Å; V18-P20 WeakPolarHBondContact O-CD 3.17Å; P20-H22 VanDerWaalsContact C-N 3.31Å; P20-H22 PolarHBondContact O-N 2.81Å | ||
| 21 | K | 44.4 | Very low | 50.8 | Low | 162 Ų | 162 | 86.1 Ų | 86.1 | 70% | 0.704 | 44% | 0.437 | S | S | * | . | trans | -72.6 | 98.2 | 166 | -156.9 | -173 | -170.2 | -170.5 | 0 | 105.1 | A19 D23 | A19-K21 PolarHBondContact O-N 3.14Å; K21-D23 WeakPolarHBondContact O-CB 3.35Å; K21-D23 PolarHBondContact O-N 2.76Å | ||
| 22 | H | 39.2 | Very low | 48.6 | Very low | 147 Ų | 147 | 87.6 Ų | 87.6 | 68% | 0.681 | 44% | 0.442 | S | S | * | . | S | Bend | trans | 13 | 57.7 | 156.3 | -97.6 | -64.1 | 0 | 0 | 0 | 116.2 | P20 F1063 | P20-H22 VanDerWaalsContact C-N 3.31Å; P20-H22 PolarHBondContact O-N 2.81Å; H22-F1063 HydrophobicContact CB-CD2 4.23Å; H22-F1063 HydrophobicContact CB-CE1 4.47Å; H22-F1063 HydrophobicContact CB-CE2 3.43Å; H22-F1063 VanDerWaalsContact CB-CE2 3.43Å; H22-F1063 HydrophobicContact CB-CZ 3.56Å; H22-F1063 AromaticContact CG-CE2 3.8Å; H22-F1063 AromaticContact CG-CZ 3.56Å; H22-F1063 AromaticContact ND1-CE2 3.61Å; H22-F1063 AromaticContact ND1-CZ 3.4Å; H22-F1063 WeakPolarHBondContact ND1-CZ 3.2Å; H22-F1063 WeakPolarHBondContact O-CD2 3.37Å; H22-F1063 WeakPolarHBondContact O-CE2 3.4Å |
| 23 | D | 36 | Very low | 46.5 | Very low | 84 Ų | 84 | 89.6 Ų | 89.6 | 45% | 0.449 | 45% | 0.452 | S | S | . | . | trans | -151.8 | 85.7 | 176.5 | -148.9 | -11.8 | 0 | 0 | 0 | 107.2 | K21 R25 D1062 | K21-D23 WeakPolarHBondContact O-CB 3.35Å; K21-D23 PolarHBondContact O-N 2.76Å; D23-R25 VanDerWaalsContact C-N 3.28Å; D23-R25 PolarHBondContact O-N 2.92Å; D23-D1062 WeakPolarHBondContact CA-OD2 3.37Å | ||
| 24 | S | 30.2 | Very low | 44.3 | Very low | 76 Ų | 76 | 88.7 Ų | 88.7 | 53% | 0.531 | 45% | 0.454 | S | S | . | . | trans | -75.5 | 80.2 | 179.2 | 57.4 | 0 | 0 | 0 | 0 | 109.7 | D1062 | S24-D1062 WeakPolarHBondContact CB-OD2 3.24Å; S24-D1062 PolarHBondContact N-OD2 2.8Å; S24-D1062 PolarHBondContact OG-OD2 2.82Å | ||
| 25 | R | 31.7 | Very low | 41.9 | Very low | 138 Ų | 138 | 92 Ų | 92 | 52% | 0.521 | 47% | 0.47 | S | S | . | . | S | Bend | trans | 159.7 | 128.2 | 139.5 | -80.7 | 158.4 | -152.7 | -158.7 | 8.7 | 109.6 | D23 T1059 T1060 | D23-R25 VanDerWaalsContact C-N 3.28Å; D23-R25 PolarHBondContact O-N 2.92Å; R25-T1059 WeakPolarHBondContact CD-O 3.33Å; R25-T1059 VanDerWaalsContact NH1-C 3.3Å; R25-T1059 PolarHBondContact NH1-O 2.83Å; R25-T1059 PolarHBondContact NH1-OG1 2.79Å; R25-T1060 HydrophobicContact CB-CG2 3.18Å; R25-T1060 VanDerWaalsContact CD-CB 3.44Å; R25-T1060 HydrophobicContact CG-CG2 3.79Å |
| 26 | R | 29.7 | Very low | 39.9 | Very low | 116 Ų | 116 | 90.9 Ų | 90.9 | 44% | 0.438 | 47% | 0.466 | S | S | . | . | trans | 64.5 | 75.6 | 173.1 | -64.6 | -174.4 | 176.1 | -159.5 | 7.5 | 118.1 | D1069 | R26-D1069 WeakPolarHBondContact CD-OD2 3.43Å; R26-D1069 IonicContact CZ-OD1 3.29Å; R26-D1069 VanDerWaalsContact CZ-OD1 3.32Å; R26-D1069 IonicContact CZ-OD2 3.27Å; R26-D1069 IonicContact NE-OD2 3.3Å; R26-D1069 PolarHBondContact NE-OD2 2.68Å; R26-D1069 VanDerWaalsContact NE-OD2 3.09Å; R26-D1069 IonicContact NH1-OD1 3.44Å; R26-D1069 PolarHBondContact NH1-OD1 3.22Å; R26-D1069 IonicContact NH1-OD2 3.72Å; R26-D1069 PolarHBondContact NH1-OD2 2.8Å; R26-D1069 IonicContact NH2-OD1 3.12Å; R26-D1069 IonicContact NH2-OD2 3.87Å; R26-D1069 PolarHBondContact NH2-OD2 3.29Å; R26-D1069 VanDerWaalsContact NH2-OD2 3.16Å | ||
| 27 | S | 32 | Very low | 38 | Very low | 60 Ų | 60 | 91.2 Ų | 91.2 | 42% | 0.42 | 47% | 0.468 | S | S | . | . | trans | -117.3 | 109.7 | 151 | 49.8 | 0 | 0 | 0 | 0 | 110.1 | F29 | S27-F29 WeakPolarHBondContact O-CD2 3.33Å; S27-F29 WeakPolarHBondContact O-CE2 3.38Å; S27-F29 PolarHBondContact O-N 2.84Å; S27-F29 VanDerWaalsContact OG-CE2 3.22Å; S27-F29 WeakPolarHBondContact OG-CE2 3.26Å; S27-F29 VanDerWaalsContact OG-CZ 3.24Å; S27-F29 WeakPolarHBondContact OG-CZ 3.45Å | ||
| 28 | T | 30.7 | Very low | 36.3 | Very low | 135 Ų | 135 | 91.8 Ų | 91.8 | 83% | 0.828 | 48% | 0.477 | S | S | * | . | trans | -69.9 | 105.3 | 168.5 | 30.5 | 0 | 0 | 0 | 0 | 109.1 | K30 | T28-K30 PolarHBondContact O-N 2.93Š| ||
| 29 | F | 33.8 | Very low | 34.8 | Very low | 102 Ų | 102 | 99.1 Ų | 99.1 | 45% | 0.447 | 51% | 0.508 | S | S | . | . | trans | -80.9 | 110.4 | 174.5 | -63.6 | -83 | 0 | 0 | 0 | 109.2 | V18 S27 I72 | V18-F29 HydrophobicContact CG1-CD1 3.98Å; V18-F29 HydrophobicContact CG1-CE1 3.67Å; V18-F29 HydrophobicContact CG1-CZ 4.26Å; S27-F29 WeakPolarHBondContact O-CD2 3.33Å; S27-F29 WeakPolarHBondContact O-CE2 3.38Å; S27-F29 PolarHBondContact O-N 2.84Å; S27-F29 VanDerWaalsContact OG-CE2 3.22Å; S27-F29 WeakPolarHBondContact OG-CE2 3.26Å; S27-F29 VanDerWaalsContact OG-CZ 3.24Å; S27-F29 WeakPolarHBondContact OG-CZ 3.45Å; F29-I72 HydrophobicContact CD1-CG2 3.78Å; F29-I72 HydrophobicContact CE1-CG2 4.34Å | ||
| 30 | K | 31.1 | Very low | 33.9 | Very low | 175 Ų | 175 | 98.7 Ų | 98.7 | 76% | 0.761 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 107.6 | 164.9 | -84.4 | -177.2 | 175.7 | 177.2 | 0 | 108.3 | T28 | T28-K30 PolarHBondContact O-N 2.93Å |
| 31 | A | 31.8 | Very low | 33.3 | Very low | 36 Ų | 36 | 95.5 Ų | 95.5 | 30% | 0.298 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 126.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | F48 V71 | A31-F48 HydrophobicContact CB-CE1 3.7Å; A31-F48 HydrophobicContact CB-CZ 3.8Å; A31-V71 VanDerWaalsContact CA-O 3.25Å; A31-V71 WeakPolarHBondContact CA-O 3.41Å |
| 32 | R | 37 | Very low | 33.6 | Very low | 208 Ų | 208 | 90.8 Ų | 90.8 | 79% | 0.785 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 111.8 | 169.8 | -139.4 | -178 | -171.5 | -168.3 | 1.3 | 107.1 | V71 | R32-V71 HydrophobicContact CB-CB 4.43Å; R32-V71 PolarHBondContact N-O 3.43Å; R32-V71 VanDerWaalsContact N-O 3.15Å; R32-V71 VanDerWaalsContact O-CB 3.25Å; R32-V71 WeakPolarHBondContact O-CB 3.31Å; R32-V71 VanDerWaalsContact O-CG2 3.25Å; R32-V71 WeakPolarHBondContact O-CG2 3.32Å; R32-V71 PolarHBondContact O-N 3.19Å |
| 33 | I | 36.2 | Very low | 35.2 | Very low | 52 Ų | 52 | 84.8 Ų | 84.8 | 27% | 0.267 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 123.9 | 166.8 | -73.3 | 158 | 0 | 0 | 0 | 107.1 | M35 M46 T69 | I33-M35 PolarHBondContact O-N 3.47Å; I33-M35 VanDerWaalsContact O-N 3.08Å; I33-M46 HydrophobicContact CD1-CE 3.34Å; I33-M46 HydrophobicContact CD1-SD 4.08Å; I33-T69 WeakPolarHBondContact CA-O 3.33Å; I33-T69 WeakPolarHBondContact CG1-O 3.44Å |
| 34 | G | 35.6 | Very low | 36.7 | Very low | 45 Ų | 45 | 83.1 Ų | 83.1 | 46% | 0.464 | 43% | 0.427 | S | S | . | . | trans | -60.8 | 109.9 | 171 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 35 | M | 30.1 | Very low | 38 | Very low | 71 Ų | 71 | 83.2 Ų | 83.2 | 35% | 0.35 | 42% | 0.417 | S | S | . | . | trans | 19 | 101.4 | 153.5 | -77.1 | 138.5 | 62.5 | 0 | 0 | 117.7 | I33 H574 K576 | I33-M35 PolarHBondContact O-N 3.47Å; I33-M35 VanDerWaalsContact O-N 3.08Å; M35-H574 WeakPolarHBondContact CE-O 3.08Å; M35-K576 HydrophobicContact CE-CB 4.42Å; M35-K576 VanDerWaalsContact CE-N 3.3Å | ||
| 36 | I | 31.9 | Very low | 39.4 | Very low | 82 Ų | 82 | 80.7 Ų | 80.7 | 42% | 0.421 | 41% | 0.413 | S | S | . | . | -118.4 | 121 | 122.9 | -64.9 | 177.1 | 0 | 0 | 0 | 105.2 | C38 Y68 | I36-C38 HydrophobicContact CG2-CB 4.47Å; I36-C38 PolarHBondContact O-N 3.02Å; I36-Y68 HydrophobicContact CD1-CE1 4.18Å | |||
| 37 | S | 27.5 | Very low | 40.5 | Very low | 14 Ų | 14 | 79 Ų | 79 | 10% | 0.098 | 41% | 0.412 | C | S | . | . | trans | -78.3 | 55.3 | -171 | 48.7 | 0 | 0 | 0 | 0 | 112.1 | S575 N584 | S37-S575 PolarHBondContact OG-OG 3.05Å; S37-N584 PolarHBondContact O-ND2 3.45Å; S37-N584 PolarHBondContact OG-ND2 2.86Å | ||
| 38 | C | 29.9 | Very low | 41.7 | Very low | 54 Ų | 54 | 81.8 Ų | 81.8 | 37% | 0.365 | 42% | 0.417 | S | S | . | . | trans | -139.7 | 76.5 | 178.1 | -49.6 | 0 | 0 | 0 | 0 | 109.5 | I36 V40 | I36-C38 HydrophobicContact CG2-CB 4.47Å; I36-C38 PolarHBondContact O-N 3.02Å; C38-V40 HydrophobicContact CB-CG2 3.85Å; C38-V40 PolarHBondContact O-N 3.22Å | ||
| 39 | F | 29.1 | Very low | 42.6 | Very low | 172 Ų | 172 | 80.7 Ų | 80.7 | 75% | 0.754 | 40% | 0.402 | S | S | * | . | trans | -69.7 | 80 | 152.9 | -71.3 | -102 | 0 | 0 | 0 | 106.3 | R573 | F39-R573 VanDerWaalsContact CB-NH1 3.35Š| ||
| 40 | V | 33.9 | Very low | 43.6 | Very low | 41 Ų | 41 | 82.7 Ų | 82.7 | 25% | 0.248 | 41% | 0.411 | C | S | . | . | trans | -80.1 | 113.4 | 160.7 | -171.6 | 0 | 0 | 0 | 0 | 104.5 | C38 N42 P162 | C38-V40 HydrophobicContact CB-CG2 3.85Å; C38-V40 PolarHBondContact O-N 3.22Å; V40-N42 PolarHBondContact O-N 3.13Å; V40-P162 HydrophobicContact CG1-CB 3.42Å; V40-P162 VanDerWaalsContact CG1-CB 3.42Å; V40-P162 VanDerWaalsContact CG1-O 3.31Å; V40-P162 WeakPolarHBondContact CG1-O 3.4Å | ||
| 41 | A | 37.1 | Very low | 44.8 | Very low | 36 Ų | 36 | 76 Ų | 76 | 30% | 0.298 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 135.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | R43 P162 | A41-R43 PolarHBondContact O-N 3.43Å; A41-P162 PolarHBondContact N-O 2.96Å |
| 42 | N | 51.1 | Low | 46.3 | Very low | 63 Ų | 63 | 76.1 Ų | 76.1 | 34% | 0.337 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | -20.9 | 170.5 | -51.9 | -57.9 | 0 | 0 | 0 | 120 | V40 L164 F185 | V40-N42 PolarHBondContact O-N 3.13Å; N42-L164 PolarHBondContact ND2-O 2.98Å; N42-F185 VanDerWaalsContact ND2-CD1 3.34Å; N42-F185 WeakPolarHBondContact ND2-CD1 3.4Å; N42-F185 WeakPolarHBondContact ND2-CE1 3.31Å |
| 43 | R | 72.7 | Confident | 47.5 | Very low | 20 Ų | 20 | 66.6 Ų | 66.6 | 8% | 0.075 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -37.5 | 178.4 | -170.4 | 171 | 69.5 | 74.3 | -8.4 | 113.8 | A41 N58 P59 E63 D64 | A41-R43 PolarHBondContact O-N 3.43Å; R43-N58 WeakPolarHBondContact CG-O 2.97Å; R43-N58 PolarHBondContact O-N 2.6Å; R43-P59 WeakPolarHBondContact CD-O 3.33Å; R43-P59 VanDerWaalsContact CG-O 3.28Å; R43-P59 WeakPolarHBondContact CG-O 3.38Å; R43-P59 PolarHBondContact NH1-O 2.84Å; R43-E63 IonicContact NH2-OE1 3.87Å; R43-E63 PolarHBondContact NH2-OE1 3.02Å; R43-E63 VanDerWaalsContact NH2-OE1 3.12Å; R43-D64 IonicContact CZ-OD1 3.5Å; R43-D64 IonicContact CZ-OD2 3.66Å; R43-D64 VanDerWaalsContact NH1-CG 3.32Å; R43-D64 IonicContact NH1-OD1 2.89Å; R43-D64 PolarHBondContact NH1-OD1 3.22Å; R43-D64 IonicContact NH1-OD2 3.2Å; R43-D64 PolarHBondContact NH1-OD2 3.01Å; R43-D64 IonicContact NH2-OD1 3.2Å; R43-D64 PolarHBondContact NH2-OD1 3.03Å; R43-D64 IonicContact NH2-OD2 2.87Å; R43-D64 PolarHBondContact NH2-OD2 3.45Å |
| 44 | I | 68 | Low | 49.2 | Very low | 50 Ų | 50 | 64.7 Ų | 64.7 | 26% | 0.256 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 111 | -178.6 | -55.2 | 173.9 | 0 | 0 | 0 | 109.2 | L55 S56 F57 | I44-L55 HydrophobicContact CG2-CD1 3.43Å; I44-L55 VanDerWaalsContact CG2-CD1 3.43Å; I44-L55 HydrophobicContact CG2-CG 4.06Å; I44-S56 CarbonylContact C-O 3.57Å; I44-S56 WeakPolarHBondContact CA-O 3.27Å; I44-F57 HydrophobicContact CD1-CD1 3.75Å; I44-F57 HydrophobicContact CD1-CE1 3.52Å; I44-F57 HydrophobicContact CD1-CZ 4.43Å; I44-F57 HydrophobicContact CG1-CD1 3.67Å; I44-F57 HydrophobicContact CG1-CE1 3.9Å; I44-F57 HydrophobicContact CG1-CG 4.35Å; I44-F57 HydrophobicContact CG2-CE1 4.35Å; I44-F57 HydrophobicContact CG2-CZ 4.41Å |
| 45 | K | 57 | Low | 51.1 | Low | 77 Ų | 77 | 63.2 Ų | 63.2 | 34% | 0.335 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 127.7 | -179.4 | -70.8 | -177.6 | -176.5 | 172.8 | 0 | 110.6 | L55 S56 D186 | K45-L55 CarbonylContact O-C 3.59Å; K45-L55 WeakPolarHBondContact O-CA 3.27Å; K45-S56 PolarHBondContact N-O 2.79Å; K45-S56 PolarHBondContact O-N 2.91Å; K45-D186 VanDerWaalsContact NZ-CG 3.31Å; K45-D186 IonicContact NZ-OD1 3.73Å; K45-D186 PolarHBondContact NZ-OD1 2.77Å; K45-D186 IonicContact NZ-OD2 3.49Å |
| 46 | M | 60.7 | Low | 53.5 | Low | 85 Ų | 85 | 61.4 Ų | 61.4 | 42% | 0.419 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127 | 171.4 | -167.7 | -176.6 | -54.7 | 0 | 0 | 110.2 | I33 F48 V53 S54 L55 | I33-M46 HydrophobicContact CD1-CE 3.34Å; I33-M46 HydrophobicContact CD1-SD 4.08Å; M46-F48 HydrophobicContact CG-CE2 3.94Å; M46-F48 HydrophobicContact CG-CZ 4.28Å; M46-F48 HydrophobicContact SD-CE2 3.65Å; M46-F48 HydrophobicContact SD-CZ 3.65Å; M46-V53 HydrophobicContact CG-CG1 4.45Å; M46-S54 CarbonylContact C-O 3.4Å; M46-S54 WeakPolarHBondContact CA-O 3.17Å; M46-L55 HydrophobicContact CB-CD1 4.26Å; M46-L55 HydrophobicContact CE-CD1 4.09Å |
| 47 | L | 54.4 | Low | 55.8 | Low | 80 Ų | 80 | 57.6 Ų | 57.6 | 42% | 0.419 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 135.9 | -177.8 | -73.7 | 159.7 | 0 | 0 | 0 | 110.6 | V53 S54 | L47-V53 WeakPolarHBondContact O-CA 3.27Å; L47-S54 PolarHBondContact N-O 2.8Å; L47-S54 PolarHBondContact O-N 2.82Å |
| 48 | F | 56 | Low | 58.3 | Low | 120 Ų | 120 | 59.1 Ų | 59.1 | 53% | 0.526 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 93.6 | 173.7 | -65.8 | -90 | 0 | 0 | 0 | 108.8 | A31 M46 Y52 V53 | A31-F48 HydrophobicContact CB-CE1 3.7Å; A31-F48 HydrophobicContact CB-CZ 3.8Å; M46-F48 HydrophobicContact CG-CE2 3.94Å; M46-F48 HydrophobicContact CG-CZ 4.28Å; M46-F48 HydrophobicContact SD-CE2 3.65Å; M46-F48 HydrophobicContact SD-CZ 3.65Å; F48-Y52 WeakPolarHBondContact CA-O 3.41Å; F48-V53 HydrophobicContact CD1-CB 4.34Å; F48-V53 HydrophobicContact CD1-CG1 4.17Å; F48-V53 HydrophobicContact CD1-CG2 3.71Å; F48-V53 HydrophobicContact CE1-CB 4.1Å; F48-V53 HydrophobicContact CE1-CG1 3.58Å; F48-V53 HydrophobicContact CE1-CG2 3.53Å; F48-V53 HydrophobicContact CZ-CG1 3.91Å |
| 49 | E | 49.3 | Very low | 60.3 | Low | 112 Ų | 112 | 58 Ų | 58 | 52% | 0.523 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 140.6 | 179.9 | -65.5 | -170.3 | 165.3 | 0 | 0 | 108.9 | G51 Y52 | E49-G51 VanDerWaalsContact C-N 3.25Å; E49-G51 PolarHBondContact O-N 3.46Å; E49-Y52 PolarHBondContact N-O 2.84Å; E49-Y52 WeakPolarHBondContact O-CB 3.46Å; E49-Y52 PolarHBondContact O-N 2.93Å |
| 50 | F | 55.2 | Low | 62.6 | Low | 144 Ų | 144 | 49.9 Ų | 49.9 | 63% | 0.632 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 30.7 | 160.6 | -63.2 | -55.4 | 0 | 0 | 0 | 116.5 | Y52 F976 | F50-Y52 HydrophobicContact CB-CD2 4.4Å; F50-Y52 VanDerWaalsContact O-CD2 3.32Å; F50-Y52 WeakPolarHBondContact O-CD2 3.48Å; F50-F976 HydrophobicContact CB-CD1 3.53Å; F50-F976 HydrophobicContact CB-CE1 3.28Å; F50-F976 HydrophobicContact CB-CZ 4.43Å; F50-F976 HydrophobicContact CD1-CD1 4.29Å; F50-F976 AromaticContact CD1-CE1 3.2Å; F50-F976 HydrophobicContact CD1-CE1 3.2Å; F50-F976 AromaticContact CD1-CZ 3.61Å; F50-F976 HydrophobicContact CD1-CZ 3.61Å; F50-F976 HydrophobicContact CD2-CE1 4.29Å; F50-F976 HydrophobicContact CE1-CE1 4.08Å; F50-F976 HydrophobicContact CE1-CZ 4.17Å; F50-F976 HydrophobicContact CG-CD1 4.11Å; F50-F976 AromaticContact CG-CE1 3.33Å; F50-F976 HydrophobicContact CG-CE1 3.33Å; F50-F976 HydrophobicContact CG-CZ 4.21Å |
| 51 | G | 55.9 | Low | 64.8 | Low | 34 Ų | 34 | 52 Ų | 52 | 35% | 0.351 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 25.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K17 V18 E49 | K17-G51 CarbonylContact C-O 3.53Å; K17-G51 WeakPolarHBondContact CA-O 3.49Å; K17-G51 VanDerWaalsContact CG-O 3.26Å; K17-G51 WeakPolarHBondContact CG-O 3.49Å; V18-G51 WeakPolarHBondContact CA-O 3.47Å; V18-G51 PolarHBondContact N-O 3.38Å; E49-G51 VanDerWaalsContact C-N 3.25Å; E49-G51 PolarHBondContact O-N 3.46Å |
| 52 | Y | 63.6 | Low | 66.6 | Low | 38 Ų | 38 | 55.8 Ų | 55.8 | 15% | 0.149 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 148.7 | 171.6 | -65.1 | -96.6 | 0 | 0 | 0 | 111.6 | A16 K17 F48 E49 F50 F976 N977 | A16-Y52 CarbonylContact O-C 3.54Å; A16-Y52 WeakPolarHBondContact O-CA 3.39Å; K17-Y52 HydrophobicContact CB-CD1 3.79Å; K17-Y52 HydrophobicContact CB-CE1 3.67Å; K17-Y52 HydrophobicContact CD-CE1 4.14Å; K17-Y52 HydrophobicContact CG-CD1 4.09Å; K17-Y52 HydrophobicContact CG-CE1 3.85Å; K17-Y52 HydrophobicContact CG-CE2 4.48Å; F48-Y52 WeakPolarHBondContact CA-O 3.41Å; E49-Y52 PolarHBondContact N-O 2.84Å; E49-Y52 WeakPolarHBondContact O-CB 3.46Å; E49-Y52 PolarHBondContact O-N 2.93Å; F50-Y52 HydrophobicContact CB-CD2 4.4Å; F50-Y52 VanDerWaalsContact O-CD2 3.32Å; F50-Y52 WeakPolarHBondContact O-CD2 3.48Å; Y52-F976 VanDerWaalsContact OH-C 3.29Å; Y52-N977 VanDerWaalsContact CE1-O 3.28Å; Y52-N977 WeakPolarHBondContact CE1-O 3.14Å; Y52-N977 VanDerWaalsContact CZ-O 3.29Å; Y52-N977 WeakPolarHBondContact OH-CA 3.4Å; Y52-N977 PolarHBondContact OH-N 3.38Å; Y52-N977 PolarHBondContact OH-O 2.88Å |
| 53 | V | 63.5 | Low | 67.4 | Low | 9 Ų | 9 | 58.8 Ų | 58.8 | 6% | 0.055 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 111.2 | 161.1 | -172.7 | 0 | 0 | 0 | 0 | 106.3 | A16 V18 M46 L47 F48 | A16-V53 HydrophobicContact CB-CB 4.49Å; A16-V53 PolarHBondContact N-O 3.13Å; A16-V53 PolarHBondContact O-N 2.81Å; V18-V53 HydrophobicContact CG2-CG2 3.71Å; M46-V53 HydrophobicContact CG-CG1 4.45Å; L47-V53 WeakPolarHBondContact O-CA 3.27Å; F48-V53 HydrophobicContact CD1-CB 4.34Å; F48-V53 HydrophobicContact CD1-CG1 4.17Å; F48-V53 HydrophobicContact CD1-CG2 3.71Å; F48-V53 HydrophobicContact CE1-CB 4.1Å; F48-V53 HydrophobicContact CE1-CG1 3.58Å; F48-V53 HydrophobicContact CE1-CG2 3.53Å; F48-V53 HydrophobicContact CZ-CG1 3.91Å |
| 54 | S | 71.9 | Confident | 67.5 | Low | 11 Ų | 11 | 58.2 Ų | 58.2 | 8% | 0.077 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 138.7 | 178.1 | -54.2 | 0 | 0 | 0 | 0 | 110 | L14 Q15 M46 L47 | L14-S54 CarbonylContact O-C 3.45Å; L14-S54 WeakPolarHBondContact O-CA 3.25Å; Q15-S54 WeakPolarHBondContact CG-OG 3.17Å; Q15-S54 PolarHBondContact NE2-OG 2.94Å; M46-S54 CarbonylContact C-O 3.4Å; M46-S54 WeakPolarHBondContact CA-O 3.17Å; L47-S54 PolarHBondContact N-O 2.8Å; L47-S54 PolarHBondContact O-N 2.82Å |
| 55 | L | 75.5 | Confident | 68 | Low | 15 Ų | 15 | 59 Ų | 59 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 102.7 | 172.5 | -177 | 70.4 | 0 | 0 | 0 | 108.6 | L14 I44 K45 M46 F57 Y68 | L14-L55 HydrophobicContact CB-CB 4.32Å; L14-L55 HydrophobicContact CD1-CD2 4.42Å; L14-L55 PolarHBondContact N-O 2.83Å; L14-L55 PolarHBondContact O-N 3.39Å; I44-L55 HydrophobicContact CG2-CD1 3.43Å; I44-L55 VanDerWaalsContact CG2-CD1 3.43Å; I44-L55 HydrophobicContact CG2-CG 4.06Å; K45-L55 CarbonylContact O-C 3.59Å; K45-L55 WeakPolarHBondContact O-CA 3.27Å; M46-L55 HydrophobicContact CB-CD1 4.26Å; M46-L55 HydrophobicContact CE-CD1 4.09Å; L55-F57 HydrophobicContact CD2-CE2 3.86Å; L55-F57 HydrophobicContact CD2-CZ 3.91Å; L55-F57 HydrophobicContact CG-CE2 3.86Å; L55-F57 HydrophobicContact CG-CZ 4.23Å; L55-Y68 HydrophobicContact CD2-CD1 3.78Å; L55-Y68 HydrophobicContact CD2-CE1 4.28Å; L55-Y68 HydrophobicContact CD2-CG 4.43Å |
| 56 | S | 78.6 | Confident | 68.7 | Low | 33 Ų | 33 | 56.3 Ų | 56.3 | 23% | 0.231 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 133.5 | -176 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | V12 C13 I44 K45 | V12-S56 CarbonylContact O-C 3.46Å; V12-S56 WeakPolarHBondContact O-CA 3.37Å; C13-S56 PolarHBondContact SG-OG 3.21Å; I44-S56 CarbonylContact C-O 3.57Å; I44-S56 WeakPolarHBondContact CA-O 3.27Å; K45-S56 PolarHBondContact N-O 2.79Å; K45-S56 PolarHBondContact O-N 2.91Å |
| 57 | F | 82.1 | Confident | 69.3 | Low | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.009 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124.7 | 173.2 | -61.1 | -105.7 | 0 | 0 | 0 | 108.6 | R11 V12 L14 I44 L55 V60 D64 Y68 I85 | R11-F57 WeakPolarHBondContact CA-O 3.45Å; V12-F57 HydrophobicContact CB-CB 4.42Å; V12-F57 HydrophobicContact CB-CD2 4.42Å; V12-F57 HydrophobicContact CG1-CD2 4.45Å; V12-F57 PolarHBondContact N-O 2.74Å; V12-F57 PolarHBondContact O-N 2.8Å; L14-F57 HydrophobicContact CD1-CE2 4.13Å; L14-F57 HydrophobicContact CG-CE2 4.3Å; I44-F57 HydrophobicContact CD1-CD1 3.75Å; I44-F57 HydrophobicContact CD1-CE1 3.52Å; I44-F57 HydrophobicContact CD1-CZ 4.43Å; I44-F57 HydrophobicContact CG1-CD1 3.67Å; I44-F57 HydrophobicContact CG1-CE1 3.9Å; I44-F57 HydrophobicContact CG1-CG 4.35Å; I44-F57 HydrophobicContact CG2-CE1 4.35Å; I44-F57 HydrophobicContact CG2-CZ 4.41Å; L55-F57 HydrophobicContact CD2-CE2 3.86Å; L55-F57 HydrophobicContact CD2-CZ 3.91Å; L55-F57 HydrophobicContact CG-CE2 3.86Å; L55-F57 HydrophobicContact CG-CZ 4.23Å; F57-V60 HydrophobicContact CB-CG2 3.39Å; F57-V60 HydrophobicContact CD1-CG2 4.45Å; F57-V60 HydrophobicContact CG-CG2 4Å; F57-D64 HydrophobicContact CD1-CB 4.15Å; F57-D64 HydrophobicContact CE1-CB 4.03Å; F57-Y68 HydrophobicContact CE1-CE1 4.14Å; F57-Y68 AromaticContact CE1-CZ 3.85Å; F57-Y68 WeakPolarHBondContact CE1-OH 3.3Å; F57-Y68 HydrophobicContact CZ-CD1 4.17Å; F57-Y68 AromaticContact CZ-CE1 3.5Å; F57-Y68 HydrophobicContact CZ-CE1 3.5Å; F57-Y68 HydrophobicContact CZ-CE2 4.08Å; F57-Y68 AromaticContact CZ-CZ 3.44Å; F57-Y68 VanDerWaalsContact CZ-CZ 3.44Å; F57-I85 HydrophobicContact CD1-CD1 4.4Å; F57-I85 HydrophobicContact CD2-CD1 3.64Å; F57-I85 HydrophobicContact CE1-CD1 4.12Å; F57-I85 HydrophobicContact CE2-CD1 3.32Å; F57-I85 HydrophobicContact CG-CD1 4.21Å; F57-I85 HydrophobicContact CZ-CD1 3.6Å |
| 58 | N | 79.3 | Confident | 70.1 | Confident | 46 Ų | 46 | 54 Ų | 54 | 25% | 0.246 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -146.8 | 88.8 | -178 | -175.4 | 12.3 | 0 | 0 | 0 | 110.8 | R11 R43 F187 | R11-N58 WeakPolarHBondContact CD-OD1 3.25Å; R11-N58 HydrophobicContact CG-CB 4.4Å; R11-N58 WeakPolarHBondContact CG-OD1 3.29Å; R11-N58 PolarHBondContact NE-OD1 3.35Å; R43-N58 WeakPolarHBondContact CG-O 2.97Å; R43-N58 PolarHBondContact O-N 2.6Å; N58-F187 WeakPolarHBondContact ND2-CZ 3.22Å |
| 59 | P | 71 | Confident | 70.2 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 20% | 0.201 | 25% | 0.254 | C | S | . | . | S | Bend | cis | -90.9 | 177.8 | -1.8 | 35.6 | -36.1 | 0 | 0 | 0 | 114.6 | G9 D10 R43 Y61 | G9-P59 WeakPolarHBondContact O-CB 3.31Å; D10-P59 CarbonylContact O-C 3.49Å; R43-P59 WeakPolarHBondContact CD-O 3.33Å; R43-P59 VanDerWaalsContact CG-O 3.28Å; R43-P59 WeakPolarHBondContact CG-O 3.38Å; R43-P59 PolarHBondContact NH1-O 2.84Å; P59-Y61 HydrophobicContact CG-CE1 4.03Å; P59-Y61 HydrophobicContact CG-CE2 4.18Å; P59-Y61 WeakPolarHBondContact CG-OH 3.42Å |
| 60 | V | 78.4 | Confident | 71 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -90.6 | 139.9 | 169.6 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | V6 G9 D10 V12 F57 D64 I85 C87 | V6-V60 HydrophobicContact CG2-CB 4.09Å; V6-V60 HydrophobicContact CG2-CG1 3.75Å; V6-V60 HydrophobicContact CG2-CG2 4.32Å; G9-V60 PolarHBondContact N-O 2.77Å; D10-V60 PolarHBondContact O-N 2.82Å; V12-V60 HydrophobicContact CB-CG2 3.63Å; V12-V60 HydrophobicContact CG2-CG2 3.54Å; F57-V60 HydrophobicContact CB-CG2 3.39Å; F57-V60 HydrophobicContact CD1-CG2 4.45Å; F57-V60 HydrophobicContact CG-CG2 4Å; V60-D64 WeakPolarHBondContact CA-OD2 3.11Å; V60-D64 HydrophobicContact CG1-CB 4.06Å; V60-I85 HydrophobicContact CG1-CG2 3.81Å; V60-C87 HydrophobicContact CG1-CB 4.01Å | ||
| 61 | Y | 79.2 | Confident | 71.2 | Confident | 86 Ų | 86 | 40 Ų | 40 | 34% | 0.337 | 21% | 0.211 | S | C | . | . | trans | -123 | 167.7 | 175.2 | -61.8 | -60 | 0 | 0 | 0 | 112.3 | E8 P59 E63 D64 C87 | E8-Y61 HydrophobicContact CG-CD1 4.02Å; P59-Y61 HydrophobicContact CG-CE1 4.03Å; P59-Y61 HydrophobicContact CG-CE2 4.18Å; P59-Y61 WeakPolarHBondContact CG-OH 3.42Å; Y61-E63 PolarHBondContact O-N 3.42Å; Y61-E63 VanDerWaalsContact O-N 3.12Å; Y61-D64 PolarHBondContact N-OD2 3.34Å; Y61-D64 WeakPolarHBondContact O-CB 3.28Å; Y61-D64 PolarHBondContact O-N 2.92Å; Y61-C87 VanDerWaalsContact C-SG 3.54Å | ||
| 62 | R | 74.6 | Confident | 71.2 | Confident | 116 Ų | 116 | 39.3 Ų | 39.3 | 44% | 0.438 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -56.3 | -30.3 | 178.3 | -161.9 | -179.4 | -163.8 | 179.4 | 10 | 113.4 | D64 N65 D92 | R62-D64 VanDerWaalsContact C-N 3.28Å; R62-D64 PolarHBondContact O-N 2.71Å; R62-N65 VanDerWaalsContact O-CB 3.24Å; R62-N65 WeakPolarHBondContact O-CB 3.49Å; R62-N65 VanDerWaalsContact O-CG 3.26Å; R62-N65 PolarHBondContact O-N 2.98Å; R62-N65 PolarHBondContact O-ND2 3.26Å; R62-D92 IonicContact CZ-OD2 3.29Å; R62-D92 IonicContact NE-OD2 2.82Å; R62-D92 IonicContact NH2-OD1 3.45Å; R62-D92 PolarHBondContact NH2-OD1 2.75Å; R62-D92 IonicContact NH2-OD2 3.33Å; R62-D92 PolarHBondContact NH2-OD2 3.37Å |
| 63 | E | 68.6 | Low | 70.7 | Confident | 125 Ų | 125 | 45.2 Ų | 45.2 | 58% | 0.584 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -68.7 | -19.9 | 175.7 | 51.7 | 168.8 | -152 | 0 | 0 | 114.1 | R43 Y61 N65 | R43-E63 IonicContact NH2-OE1 3.87Å; R43-E63 PolarHBondContact NH2-OE1 3.02Å; R43-E63 VanDerWaalsContact NH2-OE1 3.12Å; Y61-E63 PolarHBondContact O-N 3.42Å; Y61-E63 VanDerWaalsContact O-N 3.12Å; E63-N65 PolarHBondContact O-N 2.96Å |
| 64 | D | 75.3 | Confident | 69.9 | Low | 9 Ų | 9 | 47.7 Ų | 47.7 | 5% | 0.048 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -81.6 | -2.9 | 176 | -59.2 | -47.5 | 0 | 0 | 0 | 112.8 | R43 F57 V60 Y61 R62 G66 Y68 | R43-D64 IonicContact CZ-OD1 3.5Å; R43-D64 IonicContact CZ-OD2 3.66Å; R43-D64 VanDerWaalsContact NH1-CG 3.32Å; R43-D64 IonicContact NH1-OD1 2.89Å; R43-D64 PolarHBondContact NH1-OD1 3.22Å; R43-D64 IonicContact NH1-OD2 3.2Å; R43-D64 PolarHBondContact NH1-OD2 3.01Å; R43-D64 IonicContact NH2-OD1 3.2Å; R43-D64 PolarHBondContact NH2-OD1 3.03Å; R43-D64 IonicContact NH2-OD2 2.87Å; R43-D64 PolarHBondContact NH2-OD2 3.45Å; F57-D64 HydrophobicContact CD1-CB 4.15Å; F57-D64 HydrophobicContact CE1-CB 4.03Å; V60-D64 WeakPolarHBondContact CA-OD2 3.11Å; V60-D64 HydrophobicContact CG1-CB 4.06Å; Y61-D64 PolarHBondContact N-OD2 3.34Å; Y61-D64 WeakPolarHBondContact O-CB 3.28Å; Y61-D64 PolarHBondContact O-N 2.92Å; R62-D64 VanDerWaalsContact C-N 3.28Å; R62-D64 PolarHBondContact O-N 2.71Å; D64-G66 PolarHBondContact O-N 3.1Å; D64-G66 VanDerWaalsContact O-N 3.14Å; D64-Y68 WeakPolarHBondContact O-CE2 3.4Å; D64-Y68 PolarHBondContact O-OH 2.83Å |
| 65 | N | 78.4 | Confident | 68.6 | Low | 65 Ų | 65 | 57.1 Ų | 57.1 | 35% | 0.348 | 27% | 0.268 | S | S | . | . | trans | -58.5 | 117.6 | 174 | -78.5 | -17.1 | 0 | 0 | 0 | 110 | R62 E63 I85 V86 C87 | R62-N65 VanDerWaalsContact O-CB 3.24Å; R62-N65 WeakPolarHBondContact O-CB 3.49Å; R62-N65 VanDerWaalsContact O-CG 3.26Å; R62-N65 PolarHBondContact O-N 2.98Å; R62-N65 PolarHBondContact O-ND2 3.26Å; E63-N65 PolarHBondContact O-N 2.96Å; N65-I85 WeakPolarHBondContact CA-O 3.3Å; N65-I85 PolarHBondContact OD1-O 2.99Å; N65-V86 WeakPolarHBondContact OD1-CA 3.16Å; N65-C87 PolarHBondContact ND2-O 3.32Å; N65-C87 WeakPolarHBondContact OD1-CA 3.29Å; N65-C87 VanDerWaalsContact OD1-CB 3.27Å; N65-C87 WeakPolarHBondContact OD1-CB 3.46Å; N65-C87 PolarHBondContact OD1-N 3.22Å | ||
| 66 | G | 70.6 | Confident | 67.3 | Low | 21 Ų | 21 | 60.2 Ų | 60.2 | 22% | 0.216 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.5 | 172 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D64 S84 I85 | D64-G66 PolarHBondContact O-N 3.1Å; D64-G66 VanDerWaalsContact O-N 3.14Å; G66-S84 CarbonylContact O-C 3.41Å; G66-S84 VanDerWaalsContact O-CA 3.26Å; G66-S84 WeakPolarHBondContact O-CA 3.2Å; G66-I85 PolarHBondContact N-O 2.59Å; G66-I85 PolarHBondContact O-N 2.89Å |
| 67 | M | 73.5 | Confident | 65.9 | Low | 100 Ų | 100 | 60.4 Ų | 60.4 | 49% | 0.493 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 115.5 | 175.7 | 178.4 | 161.6 | 36.1 | 0 | 0 | 109.3 | A83 F578 | M67-A83 CarbonylContact C-O 3.56Å; M67-A83 WeakPolarHBondContact CA-O 3.49Å; M67-F578 HydrophobicContact CE-CE1 4.37Å; M67-F578 HydrophobicContact CE-CZ 3.66Å |
| 68 | Y | 71 | Confident | 64.6 | Low | 18 Ų | 18 | 63.5 Ų | 63.5 | 7% | 0.071 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 126.2 | -178.8 | -64.5 | -90 | 0 | 0 | 0 | 110 | M1 L14 I36 L55 F57 D64 T82 A83 I85 | M1-Y68 WeakPolarHBondContact CE-O 3.45Å; L14-Y68 HydrophobicContact CD1-CD1 4.48Å; L14-Y68 HydrophobicContact CD1-CD2 3.71Å; L14-Y68 HydrophobicContact CD1-CG 3.69Å; I36-Y68 HydrophobicContact CD1-CE1 4.18Å; L55-Y68 HydrophobicContact CD2-CD1 3.78Å; L55-Y68 HydrophobicContact CD2-CE1 4.28Å; L55-Y68 HydrophobicContact CD2-CG 4.43Å; F57-Y68 HydrophobicContact CE1-CE1 4.14Å; F57-Y68 AromaticContact CE1-CZ 3.85Å; F57-Y68 WeakPolarHBondContact CE1-OH 3.3Å; F57-Y68 HydrophobicContact CZ-CD1 4.17Å; F57-Y68 AromaticContact CZ-CE1 3.5Å; F57-Y68 HydrophobicContact CZ-CE1 3.5Å; F57-Y68 HydrophobicContact CZ-CE2 4.08Å; F57-Y68 AromaticContact CZ-CZ 3.44Å; F57-Y68 VanDerWaalsContact CZ-CZ 3.44Å; D64-Y68 WeakPolarHBondContact O-CE2 3.4Å; D64-Y68 PolarHBondContact O-OH 2.83Å; Y68-T82 CarbonylContact O-C 3.49Å; Y68-T82 WeakPolarHBondContact O-CA 3.42Å; Y68-A83 PolarHBondContact N-O 2.84Å; Y68-A83 PolarHBondContact O-N 3.09Å; Y68-I85 HydrophobicContact CD2-CD1 4.12Å; Y68-I85 HydrophobicContact CD2-CG1 4.06Å; Y68-I85 HydrophobicContact CE2-CB 4Å; Y68-I85 HydrophobicContact CE2-CD1 3.66Å; Y68-I85 HydrophobicContact CE2-CG1 3.79Å |
| 69 | T | 59.6 | Low | 63.5 | Low | 41 Ų | 41 | 64 Ų | 64 | 25% | 0.252 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 119.1 | -177.7 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | I33 V71 S81 T82 | I33-T69 WeakPolarHBondContact CA-O 3.33Å; I33-T69 WeakPolarHBondContact CG1-O 3.44Å; T69-V71 HydrophobicContact CG2-CG2 4.02Å; T69-S81 CarbonylContact C-O 3.53Å; T69-S81 WeakPolarHBondContact CA-O 3.13Å; T69-T82 HydrophobicContact CG2-CG2 3.8Å; T69-T82 WeakPolarHBondContact OG1-CG2 3.38Å |
| 70 | C | 65.1 | Low | 63 | Low | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.02 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 118.8 | 171.6 | -180 | 0 | 0 | 0 | 0 | 109.7 | M1 A16 T80 S81 | M1-C70 HydrophobicContact CE-CB 3.36Å; M1-C70 VanDerWaalsContact CE-N 3.3Å; M1-C70 HydrophobicContact SD-CB 4.27Å; A16-C70 HydrophobicContact CB-CB 4.27Å; C70-T80 CarbonylContact O-C 3.5Å; C70-T80 VanDerWaalsContact O-CA 3.27Å; C70-T80 WeakPolarHBondContact O-CA 3.43Å; C70-S81 PolarHBondContact N-O 3.32Å; C70-S81 PolarHBondContact O-N 2.77Å |
| 71 | V | 60.3 | Low | 62.5 | Low | 37 Ų | 37 | 67 Ų | 67 | 22% | 0.224 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 116 | 178.6 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | A31 R32 T69 T78 S79 T80 | A31-V71 VanDerWaalsContact CA-O 3.25Å; A31-V71 WeakPolarHBondContact CA-O 3.41Å; R32-V71 HydrophobicContact CB-CB 4.43Å; R32-V71 PolarHBondContact N-O 3.43Å; R32-V71 VanDerWaalsContact N-O 3.15Å; R32-V71 VanDerWaalsContact O-CB 3.25Å; R32-V71 WeakPolarHBondContact O-CB 3.31Å; R32-V71 VanDerWaalsContact O-CG2 3.25Å; R32-V71 WeakPolarHBondContact O-CG2 3.32Å; R32-V71 PolarHBondContact O-N 3.19Å; T69-V71 HydrophobicContact CG2-CG2 4.02Å; V71-T78 HydrophobicContact CG1-CG2 3.28Å; V71-S79 CarbonylContact C-O 3.54Å; V71-S79 WeakPolarHBondContact CA-O 3.47Å; V71-T80 HydrophobicContact CB-CG2 4.23Å; V71-T80 HydrophobicContact CG1-CG2 3.98Å; V71-T80 HydrophobicContact CG2-CG2 3.85Å |
| 72 | I | 55.9 | Low | 62.1 | Low | 19 Ų | 19 | 66.4 Ų | 66.4 | 10% | 0.097 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 120.7 | 177.5 | -58.9 | 159.4 | 0 | 0 | 0 | 108.5 | V18 F29 T78 S79 M979 | V18-I72 HydrophobicContact CB-CD1 4.32Å; V18-I72 HydrophobicContact CG1-CD1 4.22Å; V18-I72 HydrophobicContact CG1-CG2 4.16Å; V18-I72 HydrophobicContact CG2-CD1 3.67Å; V18-I72 HydrophobicContact CG2-CG1 4.42Å; F29-I72 HydrophobicContact CD1-CG2 3.78Å; F29-I72 HydrophobicContact CE1-CG2 4.34Å; I72-T78 CarbonylContact O-C 3.5Å; I72-T78 WeakPolarHBondContact O-CA 3.08Å; I72-S79 PolarHBondContact N-O 2.8Å; I72-S79 PolarHBondContact O-N 2.88Å; I72-M979 HydrophobicContact CD1-CE 3.97Å |
| 73 | R | 51.4 | Low | 62 | Low | 162 Ų | 162 | 61.2 Ų | 61.2 | 61% | 0.611 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 132.2 | 177.4 | -178 | 179.1 | -85.4 | -178.3 | -8.8 | 111.1 | T78 | R73-T78 HydrophobicContact CB-CG2 4.36Å; R73-T78 PolarHBondContact NE-OG1 3.49Å |
| 74 | N | 46.6 | Very low | 62.3 | Low | 62 Ų | 62 | 58.1 Ų | 58.1 | 33% | 0.332 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | -178.2 | 163.6 | 70 | 10.5 | 0 | 0 | 0 | 110 | A76 G77 | N74-A76 PolarHBondContact O-N 2.88Å; N74-A76 WeakPolarHBondContact OD1-CA 3.39Å; N74-A76 WeakPolarHBondContact OD1-CB 3.21Å; N74-A76 PolarHBondContact OD1-N 3.07Å; N74-G77 PolarHBondContact N-O 3.5Å; N74-G77 PolarHBondContact O-N 2.78Å; N74-G77 PolarHBondContact OD1-N 3.27Å; N74-G77 PolarHBondContact OD1-O 2.88Å |
| 75 | R | 45 | Very low | 62.5 | Low | 208 Ų | 208 | 57.9 Ų | 57.9 | 79% | 0.785 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -22.8 | 178.4 | -68.3 | -176.5 | 178.1 | -171.6 | -1 | 113.3 | E1029 | R75-E1029 IonicContact NH1-OE2 3.91Å; R75-E1029 PolarHBondContact NH1-OE2 2.69Å |
| 76 | A | 48.5 | Very low | 62.7 | Low | 80 Ų | 80 | 57.1 Ų | 57.1 | 66% | 0.661 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -7.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | N74 | N74-A76 PolarHBondContact O-N 2.88Å; N74-A76 WeakPolarHBondContact OD1-CA 3.39Å; N74-A76 WeakPolarHBondContact OD1-CB 3.21Å; N74-A76 PolarHBondContact OD1-N 3.07Å |
| 77 | G | 49.5 | Very low | 63.1 | Low | 37 Ų | 37 | 56.2 Ų | 56.2 | 38% | 0.381 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.4 | -174.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N74 | N74-G77 PolarHBondContact N-O 3.5Å; N74-G77 PolarHBondContact O-N 2.78Å; N74-G77 PolarHBondContact OD1-N 3.27Å; N74-G77 PolarHBondContact OD1-O 2.88Å |
| 78 | T | 54 | Low | 63.1 | Low | 68 Ų | 68 | 54.9 Ų | 54.9 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130.3 | 172.3 | -55.1 | 0 | 0 | 0 | 0 | 107.5 | V71 I72 R73 T80 | V71-T78 HydrophobicContact CG1-CG2 3.28Å; I72-T78 CarbonylContact O-C 3.5Å; I72-T78 WeakPolarHBondContact O-CA 3.08Å; R73-T78 HydrophobicContact CB-CG2 4.36Å; R73-T78 PolarHBondContact NE-OG1 3.49Å; T78-T80 HydrophobicContact CG2-CG2 4.46Å |
| 79 | S | 56.2 | Low | 62.4 | Low | 57 Ų | 57 | 54.6 Ų | 54.6 | 40% | 0.399 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 141.2 | 172.8 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | V71 I72 | V71-S79 CarbonylContact C-O 3.54Å; V71-S79 WeakPolarHBondContact CA-O 3.47Å; I72-S79 PolarHBondContact N-O 2.8Å; I72-S79 PolarHBondContact O-N 2.88Å |
| 80 | T | 61.9 | Low | 62.1 | Low | 81 Ų | 81 | 60.4 Ų | 60.4 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 136.3 | -176.9 | 52.7 | 0 | 0 | 0 | 0 | 110.4 | C70 V71 T78 | C70-T80 CarbonylContact O-C 3.5Å; C70-T80 VanDerWaalsContact O-CA 3.27Å; C70-T80 WeakPolarHBondContact O-CA 3.43Å; V71-T80 HydrophobicContact CB-CG2 4.23Å; V71-T80 HydrophobicContact CG1-CG2 3.98Å; V71-T80 HydrophobicContact CG2-CG2 3.85Å; T78-T80 HydrophobicContact CG2-CG2 4.46Å |
| 81 | S | 66.2 | Low | 61.4 | Low | 13 Ų | 13 | 65.9 Ų | 65.9 | 9% | 0.091 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 134.3 | 175 | -166.4 | 0 | 0 | 0 | 0 | 109.6 | M1 T69 C70 H980 | M1-S81 WeakPolarHBondContact CE-O 3.4Å; M1-S81 PolarHBondContact N-OG 2.97Å; T69-S81 CarbonylContact C-O 3.53Å; T69-S81 WeakPolarHBondContact CA-O 3.13Å; C70-S81 PolarHBondContact N-O 3.32Å; C70-S81 PolarHBondContact O-N 2.77Å; S81-H980 PolarHBondContact OG-NE2 3.18Å; S81-H980 VanDerWaalsContact OG-NE2 3.07Å |
| 82 | T | 71.1 | Confident | 60.9 | Low | 72 Ų | 72 | 67 Ų | 67 | 44% | 0.442 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 149.3 | -177.5 | 52.8 | 0 | 0 | 0 | 0 | 111.9 | Y68 T69 | Y68-T82 CarbonylContact O-C 3.49Å; Y68-T82 WeakPolarHBondContact O-CA 3.42Å; T69-T82 HydrophobicContact CG2-CG2 3.8Å; T69-T82 WeakPolarHBondContact OG1-CG2 3.38Å |
| 83 | A | 72.1 | Confident | 60.2 | Low | 8 Ų | 8 | 70.2 Ų | 70.2 | 7% | 0.066 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 150.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111 | M1 L14 M67 Y68 | M1-A83 HydrophobicContact CB-CB 3.34Å; L14-A83 HydrophobicContact CD2-CB 4.14Å; M67-A83 CarbonylContact C-O 3.56Å; M67-A83 WeakPolarHBondContact CA-O 3.49Å; Y68-A83 PolarHBondContact N-O 2.84Å; Y68-A83 PolarHBondContact O-N 3.09Å |
| 84 | S | 75.7 | Confident | 59.6 | Low | 60 Ų | 60 | 66.8 Ų | 66.8 | 42% | 0.42 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 137.1 | 176.9 | 57 | 0 | 0 | 0 | 0 | 112.1 | G3 A4 G66 | G3-S84 CarbonylContact C-O 3.6Å; G3-S84 WeakPolarHBondContact CA-O 3.33Å; A4-S84 PolarHBondContact N-O 2.88Å; G66-S84 CarbonylContact O-C 3.41Å; G66-S84 VanDerWaalsContact O-CA 3.26Å; G66-S84 WeakPolarHBondContact O-CA 3.2Å |
| 85 | I | 79.1 | Confident | 59.3 | Low | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.015 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 132.5 | 165.2 | -61.9 | -179.8 | 0 | 0 | 0 | 108.1 | A4 V6 V12 L14 F57 V60 N65 G66 Y68 | A4-I85 CarbonylContact O-C 3.53Å; A4-I85 WeakPolarHBondContact O-CA 3.32Å; V6-I85 HydrophobicContact CG2-CG2 4.32Å; V12-I85 HydrophobicContact CB-CD1 4.49Å; V12-I85 HydrophobicContact CG1-CD1 3.86Å; V12-I85 HydrophobicContact CG1-CG1 4.24Å; L14-I85 HydrophobicContact CD1-CD1 3.93Å; L14-I85 HydrophobicContact CD1-CG1 4.16Å; L14-I85 HydrophobicContact CD2-CD1 4.41Å; L14-I85 HydrophobicContact CD2-CG1 4.23Å; L14-I85 HydrophobicContact CG-CD1 4.19Å; L14-I85 HydrophobicContact CG-CG1 4.48Å; F57-I85 HydrophobicContact CD1-CD1 4.4Å; F57-I85 HydrophobicContact CD2-CD1 3.64Å; F57-I85 HydrophobicContact CE1-CD1 4.12Å; F57-I85 HydrophobicContact CE2-CD1 3.32Å; F57-I85 HydrophobicContact CG-CD1 4.21Å; F57-I85 HydrophobicContact CZ-CD1 3.6Å; V60-I85 HydrophobicContact CG1-CG2 3.81Å; N65-I85 WeakPolarHBondContact CA-O 3.3Å; N65-I85 PolarHBondContact OD1-O 2.99Å; G66-I85 PolarHBondContact N-O 2.59Å; G66-I85 PolarHBondContact O-N 2.89Å; Y68-I85 HydrophobicContact CD2-CD1 4.12Å; Y68-I85 HydrophobicContact CD2-CG1 4.06Å; Y68-I85 HydrophobicContact CE2-CB 4Å; Y68-I85 HydrophobicContact CE2-CD1 3.66Å; Y68-I85 HydrophobicContact CE2-CG1 3.79Å |
| 86 | V | 82.4 | Confident | 59.2 | Low | 49 Ų | 49 | 66.6 Ų | 66.6 | 30% | 0.297 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 99.7 | 175.1 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | A4 R5 V6 N65 E88 | A4-V86 PolarHBondContact O-N 3.35Å; R5-V86 CarbonylContact C-O 3.45Å; R5-V86 VanDerWaalsContact CA-O 3.26Å; R5-V86 WeakPolarHBondContact CA-O 3.39Å; R5-V86 HydrophobicContact CG-CB 3.75Å; R5-V86 HydrophobicContact CG-CG1 4.06Å; R5-V86 HydrophobicContact CG-CG2 4.48Å; V6-V86 PolarHBondContact N-O 3.06Å; N65-V86 WeakPolarHBondContact OD1-CA 3.16Å; V86-E88 HydrophobicContact CG1-CG 4.45Å |
| 87 | C | 80.1 | Confident | 58.9 | Low | 3 Ų | 3 | 67.9 Ų | 67.9 | 2% | 0.02 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 115.5 | 171.4 | -173.4 | 0 | 0 | 0 | 0 | 109.5 | V6 E8 V60 Y61 N65 | V6-C87 CarbonylContact O-C 3.56Å; V6-C87 WeakPolarHBondContact O-CA 3.28Å; E8-C87 WeakPolarHBondContact CA-SG 3.49Å; E8-C87 PolarHBondContact N-SG 2.93Å; E8-C87 VanDerWaalsContact N-SG 3.43Å; V60-C87 HydrophobicContact CG1-CB 4.01Å; Y61-C87 VanDerWaalsContact C-SG 3.54Å; N65-C87 PolarHBondContact ND2-O 3.32Å; N65-C87 WeakPolarHBondContact OD1-CA 3.29Å; N65-C87 VanDerWaalsContact OD1-CB 3.27Å; N65-C87 WeakPolarHBondContact OD1-CB 3.46Å; N65-C87 PolarHBondContact OD1-N 3.22Å |
| 88 | E | 73.5 | Confident | 58.2 | Low | 72 Ų | 72 | 72.2 Ų | 72.2 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 131.3 | 175.5 | -62.7 | 179.9 | 176.8 | 0 | 0 | 109.7 | R5 V6 E8 V86 | R5-E88 IonicContact CZ-OE1 3.63Å; R5-E88 IonicContact NH1-OE1 2.77Å; R5-E88 PolarHBondContact NH1-OE1 3.49Å; V6-E88 PolarHBondContact O-N 2.78Å; E8-E88 PolarHBondContact N-O 2.86Å; V86-E88 HydrophobicContact CG1-CG 4.45Å |
| 89 | S | 56.8 | Low | 57.6 | Low | 11 Ų | 11 | 75.9 Ų | 75.9 | 8% | 0.077 | 41% | 0.41 | C | S | . | . | trans | -98.3 | 157.9 | 174.7 | 69.7 | 0 | 0 | 0 | 0 | 111.7 | E91 D92 | S89-E91 PolarHBondContact O-N 2.84Å; S89-E91 VanDerWaalsContact O-N 3.17Å; S89-D92 PolarHBondContact O-N 3.05Å; S89-D92 PolarHBondContact OG-OD2 2.98Å | ||
| 90 | E | 53.2 | Low | 56.8 | Low | 164 Ų | 164 | 76 Ų | 76 | 77% | 0.766 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -58.5 | -26.4 | 175.9 | -74.6 | -170.8 | 150.1 | 0 | 0 | 113 | D92 I93 | E90-D92 VanDerWaalsContact C-N 3.35Å; E90-I93 PolarHBondContact O-N 2.84Å |
| 91 | E | 50.2 | Low | 56.1 | Low | 118 Ų | 118 | 78 Ų | 78 | 55% | 0.551 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -71 | -27.8 | 174.8 | -69.3 | 177.3 | -174 | 0 | 0 | 113.1 | S89 I93 R123 | S89-E91 PolarHBondContact O-N 2.84Å; S89-E91 VanDerWaalsContact O-N 3.17Å; E91-I93 VanDerWaalsContact C-N 3.28Å; E91-I93 PolarHBondContact O-N 2.79Å; E91-R123 IonicContact OE1-NH2 3.55Å |
| 92 | D | 49.1 | Very low | 55.1 | Low | 60 Ų | 60 | 79.8 Ų | 79.8 | 32% | 0.321 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -79.5 | -12.1 | 177.3 | -72.1 | -30.4 | 0 | 0 | 0 | 112.5 | R62 S89 E90 | R62-D92 IonicContact CZ-OD2 3.29Å; R62-D92 IonicContact NE-OD2 2.82Å; R62-D92 IonicContact NH2-OD1 3.45Å; R62-D92 PolarHBondContact NH2-OD1 2.75Å; R62-D92 IonicContact NH2-OD2 3.33Å; R62-D92 PolarHBondContact NH2-OD2 3.37Å; S89-D92 PolarHBondContact O-N 3.05Å; S89-D92 PolarHBondContact OG-OD2 2.98Å; E90-D92 VanDerWaalsContact C-N 3.35Å |
| 93 | I | 40.7 | Very low | 54 | Low | 86 Ų | 86 | 79.4 Ų | 79.4 | 44% | 0.441 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -88.2 | -25.1 | 176.2 | -62.2 | 173.2 | 0 | 0 | 0 | 111.6 | E90 E91 T97 | E90-I93 PolarHBondContact O-N 2.84Å; E91-I93 VanDerWaalsContact C-N 3.28Å; E91-I93 PolarHBondContact O-N 2.79Å; I93-T97 PolarHBondContact O-OG1 2.76Å |
| 94 | V | 40.5 | Very low | 52.8 | Low | 91 Ų | 91 | 83 Ų | 83 | 55% | 0.552 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -82 | -21.3 | -179 | 179.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 95 | S | 39.1 | Very low | 51.5 | Low | 88 Ų | 88 | 83.6 Ų | 83.6 | 62% | 0.615 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -6.1 | -176.1 | 60.9 | 0 | 0 | 0 | 0 | 115.5 | ||
| 96 | K | 43 | Very low | 50.3 | Low | 178 Ų | 178 | 89.7 Ų | 89.7 | 77% | 0.774 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -111.9 | 1.3 | -175 | -70.7 | 178 | -177.3 | 165.4 | 0 | 114.9 | ||
| 97 | T | 43.5 | Very low | 48.5 | Very low | 107 Ų | 107 | 94.6 Ų | 94.6 | 66% | 0.656 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -126.3 | 6.1 | -168 | 48.9 | 0 | 0 | 0 | 0 | 115.1 | I93 | I93-T97 PolarHBondContact O-OG1 2.76Š|
| 98 | Q | 34.4 | Very low | 47 | Very low | 127 Ų | 127 | 104.1 Ų | 104.1 | 59% | 0.593 | 54% | 0.544 | S | S | * | . | trans | -117.2 | 111.6 | -175.5 | -59.7 | -157.7 | 7.1 | 0 | 0 | 114 | ||||
| 99 | H | 41.6 | Very low | 45.7 | Very low | 146 Ų | 146 | 107.1 Ų | 107.1 | 68% | 0.676 | 56% | 0.561 | S | S | * | * | trans | -66.3 | 141.8 | 174 | -128.4 | -94.3 | 0 | 0 | 0 | 110.9 | D101 S102 | H99-D101 PolarHBondContact O-N 2.89Å; H99-S102 WeakPolarHBondContact O-CB 3.25Å; H99-S102 PolarHBondContact O-N 2.86Å; H99-S102 VanDerWaalsContact O-N 3.13Å; H99-S102 PolarHBondContact O-OG 3.36Å; H99-S102 VanDerWaalsContact O-OG 3.12Å | ||
| 100 | G | 39.2 | Very low | 44.7 | Very low | 60 Ų | 60 | 114.6 Ų | 114.6 | 62% | 0.619 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -18 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 101 | D | 46.2 | Very low | 43.9 | Very low | 121 Ų | 121 | 114.4 Ų | 114.4 | 65% | 0.647 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -14.8 | -179.3 | -61.8 | -37 | 0 | 0 | 0 | 113.4 | H99 S105 | H99-D101 PolarHBondContact O-N 2.89Å; D101-S105 PolarHBondContact O-OG 3.2Å |
| 102 | S | 46.1 | Very low | 43.3 | Very low | 52 Ų | 52 | 120.5 Ų | 120.5 | 36% | 0.364 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -73.4 | -30.4 | 179.7 | -44 | 0 | 0 | 0 | 0 | 111.9 | H99 S105 I106 | H99-S102 WeakPolarHBondContact O-CB 3.25Å; H99-S102 PolarHBondContact O-N 2.86Å; H99-S102 VanDerWaalsContact O-N 3.13Å; H99-S102 PolarHBondContact O-OG 3.36Å; H99-S102 VanDerWaalsContact O-OG 3.12Å; S102-S105 PolarHBondContact O-N 3.3Å; S102-I106 WeakPolarHBondContact O-CG1 3.4Å; S102-I106 PolarHBondContact O-N 2.7Å |
| 103 | V | 47.7 | Very low | 42.5 | Very low | 63 Ų | 63 | 127.2 Ų | 127.2 | 38% | 0.382 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -73.3 | -30.2 | -176.3 | -179.9 | 0 | 0 | 0 | 0 | 112.3 | K107 | V103-K107 VanDerWaalsContact O-CG 3.32Å; V103-K107 WeakPolarHBondContact O-CG 3.44Å; V103-K107 PolarHBondContact O-N 3.02Å |
| 104 | D | 47.8 | Very low | 42 | Very low | 85 Ų | 85 | 130.9 Ų | 130.9 | 46% | 0.455 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -82.2 | -18.1 | 178.2 | -80.5 | -13.2 | 0 | 0 | 0 | 113.7 | K107 | D104-K107 IonicContact OD1-NZ 2.79Å |
| 105 | S | 47.8 | Very low | 41.5 | Very low | 72 Ų | 72 | 138.5 Ų | 138.5 | 50% | 0.503 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -84.2 | -29.7 | 176.4 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | D101 S102 | D101-S105 PolarHBondContact O-OG 3.2Å; S102-S105 PolarHBondContact O-N 3.3Å |
| 106 | I | 52.8 | Low | 41 | Very low | 130 Ų | 130 | 140 Ų | 140 | 67% | 0.667 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -76.7 | -25.6 | 175 | -66.1 | 167.4 | 0 | 0 | 0 | 111.4 | S102 R108 | S102-I106 WeakPolarHBondContact O-CG1 3.4Å; S102-I106 PolarHBondContact O-N 2.7Å; I106-R108 VanDerWaalsContact C-N 3.28Å; I106-R108 PolarHBondContact O-N 2.85Å |
| 107 | K | 44.8 | Very low | 40.5 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 66% | 0.661 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -2.8 | 177.8 | -78 | 174.1 | -176.3 | 170.1 | 0 | 116 | V103 D104 | V103-K107 VanDerWaalsContact O-CG 3.32Å; V103-K107 WeakPolarHBondContact O-CG 3.44Å; V103-K107 PolarHBondContact O-N 3.02Å; D104-K107 IonicContact OD1-NZ 2.79Å |
| 108 | R | 48.8 | Very low | 39.8 | Very low | 204 Ų | 204 | 134.8 Ų | 134.8 | 77% | 0.77 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | -2.6 | -171.7 | -76.6 | -173.6 | -179.5 | 134.4 | 3.3 | 115.9 | I106 | I106-R108 VanDerWaalsContact C-N 3.28Å; I106-R108 PolarHBondContact O-N 2.85Å |
| 109 | I | 46.6 | Very low | 39.5 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -103.4 | -16.8 | -161.8 | -70.3 | 177.9 | 0 | 0 | 0 | 117.1 | ||
| 110 | D | 35.3 | Very low | 39 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 90% | 0.898 | 70% | 0.701 | S | S | * | * | trans | -155.2 | 114.7 | 165.8 | -104.9 | -36.8 | 0 | 0 | 0 | 117.4 | ||||
| 111 | N | 36 | Very low | 38.6 | Very low | 160 Ų | 160 | 142 Ų | 142 | 86% | 0.856 | 71% | 0.711 | S | S | * | * | trans | -90.7 | 87.2 | -175.9 | -88.4 | -39.1 | 0 | 0 | 0 | 112.2 | ||||
| 112 | R | 39.5 | Very low | 37.9 | Very low | 247 Ų | 247 | 145.3 Ų | 145.3 | 93% | 0.932 | 72% | 0.723 | S | S | * | * | trans | -143.9 | 117.7 | 158.2 | -78.8 | -167.2 | 170.5 | 169.2 | -2.5 | 112.3 | ||||
| 113 | E | 30.7 | Very low | 37.3 | Very low | 200 Ų | 200 | 151.7 Ų | 151.7 | 94% | 0.935 | 74% | 0.739 | S | S | * | * | trans | -67.6 | 119.5 | -179.9 | -66.3 | 173.5 | 144.7 | 0 | 0 | 112.5 | ||||
| 114 | L | 30.9 | Very low | 36.6 | Very low | 163 Ų | 163 | 154.3 Ų | 154.3 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | -130.6 | 135.6 | 155.3 | -116.2 | 128.8 | 0 | 0 | 0 | 107.4 | V116 | L114-V116 PolarHBondContact O-N 3.09Š| ||
| 115 | R | 29.8 | Very low | 35.8 | Very low | 251 Ų | 251 | 157.9 Ų | 157.9 | 95% | 0.947 | 77% | 0.771 | S | S | * | * | trans | -56.2 | 115.4 | -172.6 | -71.4 | 177.4 | 176 | 177.3 | -1.6 | 111.6 | G117 | R115-G117 PolarHBondContact O-N 3.27Š| ||
| 116 | V | 29.5 | Very low | 35.3 | Very low | 119 Ų | 119 | 163.2 Ų | 163.2 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | trans | -92.5 | 90.9 | 170.5 | 178 | 0 | 0 | 0 | 0 | 108.6 | L114 L119 | L114-V116 PolarHBondContact O-N 3.09Å; V116-L119 HydrophobicContact CG1-CD1 4.02Å; V116-L119 HydrophobicContact CG2-CD1 4.2Å | ||
| 117 | G | 32.1 | Very low | 34.6 | Very low | 46 Ų | 46 | 162.7 Ų | 162.7 | 47% | 0.474 | 79% | 0.786 | S | S | . | * | S | Bend | trans | -71.6 | 179 | 147.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | R115 L119 | R115-G117 PolarHBondContact O-N 3.27Å; G117-L119 PolarHBondContact O-N 3.05Å |
| 118 | P | 28.6 | Very low | 34.4 | Very low | 130 Ų | 130 | 162.4 Ų | 162.4 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | trans | -56.1 | 112.1 | 178.8 | 26.4 | -30.8 | 0 | 0 | 0 | 107.9 | E120 | P118-E120 PolarHBondContact O-N 3.24Š| ||
| 119 | L | 28.3 | Very low | 34.3 | Very low | 128 Ų | 128 | 154.4 Ų | 154.4 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | trans | -72 | 100.7 | 176.3 | -106.1 | 143.8 | 0 | 0 | 0 | 105.8 | V116 G117 E121 | V116-L119 HydrophobicContact CG1-CD1 4.02Å; V116-L119 HydrophobicContact CG2-CD1 4.2Å; G117-L119 PolarHBondContact O-N 3.05Å; L119-E121 PolarHBondContact O-N 2.86Å | ||
| 120 | E | 29.7 | Very low | 34.7 | Very low | 180 Ų | 180 | 154.2 Ų | 154.2 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | trans | -55.9 | 93 | 156 | -71.4 | 169.7 | 157.1 | 0 | 0 | 106.6 | P118 E122 | P118-E120 PolarHBondContact O-N 3.24Å; E120-E122 PolarHBondContact O-N 2.78Å; E120-E122 VanDerWaalsContact O-N 3.15Å | ||
| 121 | E | 32.2 | Very low | 36.4 | Very low | 176 Ų | 176 | 152.3 Ų | 152.3 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | trans | -75 | 98.5 | 169.2 | -82.4 | -176.8 | 169.5 | 0 | 0 | 107.9 | L119 R123 | L119-E121 PolarHBondContact O-N 2.86Å; E121-R123 VanDerWaalsContact C-N 3.25Å; E121-R123 PolarHBondContact O-N 3.45Å | ||
| 122 | E | 30.6 | Very low | 38.6 | Very low | 191 Ų | 191 | 146.8 Ų | 146.8 | 89% | 0.893 | 72% | 0.724 | S | S | * | * | trans | -56.5 | 84.1 | 164.7 | -66.5 | 179.8 | 156.4 | 0 | 0 | 109.7 | E120 | E120-E122 PolarHBondContact O-N 2.78Å; E120-E122 VanDerWaalsContact O-N 3.15Å | ||
| 123 | R | 33.5 | Very low | 41 | Very low | 186 Ų | 186 | 135.3 Ų | 135.3 | 70% | 0.702 | 68% | 0.681 | S | S | * | * | trans | -65.3 | 130.7 | 154.1 | -100.5 | -176.6 | -177.8 | 158.8 | 5.6 | 106.3 | E91 E121 E125 | E91-R123 IonicContact OE1-NH2 3.55Å; E121-R123 VanDerWaalsContact C-N 3.25Å; E121-R123 PolarHBondContact O-N 3.45Å; R123-E125 PolarHBondContact O-N 3.17Å | ||
| 124 | P | 32.8 | Very low | 43.7 | Very low | 118 Ų | 118 | 130 Ų | 130 | 77% | 0.766 | 66% | 0.656 | S | S | * | * | trans | -60.5 | 107.6 | 169.9 | -8.5 | 21.7 | 0 | 0 | 0 | 106.9 | E126 | P124-E126 PolarHBondContact O-N 3.33Š| ||
| 125 | E | 31.9 | Very low | 46.6 | Very low | 161 Ų | 161 | 123.1 Ų | 123.1 | 75% | 0.752 | 62% | 0.62 | S | S | * | * | trans | -54.3 | 93.2 | 154.3 | -62 | 176.9 | 174.4 | 0 | 0 | 105.5 | R123 L127 | R123-E125 PolarHBondContact O-N 3.17Å; E125-L127 WeakPolarHBondContact O-CD1 3.34Å; E125-L127 PolarHBondContact O-N 3.29Å | ||
| 126 | E | 36.7 | Very low | 49.1 | Very low | 183 Ų | 183 | 113.1 Ų | 113.1 | 86% | 0.855 | 59% | 0.587 | S | S | * | * | trans | -66.6 | 86.5 | 153 | -77.5 | -167.3 | 161.2 | 0 | 0 | 104.9 | P124 M128 | P124-E126 PolarHBondContact O-N 3.33Å; E126-M128 PolarHBondContact O-N 3.17Å; E126-M128 VanDerWaalsContact O-N 3.08Å | ||
| 127 | L | 39.5 | Very low | 51.7 | Low | 120 Ų | 120 | 111.3 Ų | 111.3 | 63% | 0.628 | 57% | 0.567 | S | S | * | * | trans | -36.3 | 112.6 | -164.4 | -92.6 | 84.7 | 0 | 0 | 0 | 110.8 | E125 S129 | E125-L127 WeakPolarHBondContact O-CD1 3.34Å; E125-L127 PolarHBondContact O-N 3.29Å; L127-S129 PolarHBondContact O-N 3.07Å | ||
| 128 | M | 39.1 | Very low | 54.4 | Low | 146 Ų | 146 | 110.3 Ų | 110.3 | 72% | 0.719 | 55% | 0.551 | S | S | * | * | trans | -55.5 | 93.1 | 139.9 | -74.8 | -167.9 | -59.6 | 0 | 0 | 105 | E126 L130 | E126-M128 PolarHBondContact O-N 3.17Å; E126-M128 VanDerWaalsContact O-N 3.08Å; M128-L130 VanDerWaalsContact C-N 3.26Å; M128-L130 PolarHBondContact O-N 3.2Å | ||
| 129 | S | 47.3 | Very low | 57.4 | Low | 35 Ų | 35 | 104.6 Ų | 104.6 | 25% | 0.245 | 51% | 0.513 | C | S | . | . | trans | -64.9 | 92.8 | -176.5 | 158.4 | 0 | 0 | 0 | 0 | 107.8 | L127 K131 P158 | L127-S129 PolarHBondContact O-N 3.07Å; S129-K131 PolarHBondContact O-N 3.1Å; S129-K131 WeakPolarHBondContact OG-CG 3.07Å; S129-P158 WeakPolarHBondContact O-CG 3.03Å | ||
| 130 | L | 55.8 | Low | 60.3 | Low | 130 Ų | 130 | 103 Ų | 103 | 68% | 0.681 | 51% | 0.509 | S | S | * | . | trans | -69.3 | 67.6 | 165 | -76 | 157 | 0 | 0 | 0 | 108.2 | M128 L213 | M128-L130 VanDerWaalsContact C-N 3.26Å; M128-L130 PolarHBondContact O-N 3.2Å; L130-L213 HydrophobicContact CB-CD1 3.9Å; L130-L213 HydrophobicContact CD2-CD1 4.47Å; L130-L213 WeakPolarHBondContact O-CD1 3.38Å | ||
| 131 | K | 69.3 | Low | 63.2 | Low | 128 Ų | 128 | 100.1 Ų | 100.1 | 56% | 0.557 | 50% | 0.499 | S | S | * | . | trans | -114.2 | 150.3 | 171.5 | -72.3 | -177.2 | 179 | -179.5 | 0 | 109.6 | S129 N211 | S129-K131 PolarHBondContact O-N 3.1Å; S129-K131 WeakPolarHBondContact OG-CG 3.07Å; K131-N211 PolarHBondContact O-ND2 2.8Å | ||
| 132 | A | 82.3 | Confident | 65.9 | Low | 44 Ų | 44 | 92.8 Ų | 92.8 | 36% | 0.364 | 47% | 0.469 | S | S | . | . | trans | -54.7 | 144.7 | 169 | 0 | 0 | 0 | 0 | 0 | 109.8 | L213 | A132-L213 HydrophobicContact CB-CB 4.18Š| ||
| 133 | P | 89.5 | Confident | 68.7 | Low | 6 Ų | 6 | 89.2 Ų | 89.2 | 4% | 0.039 | 45% | 0.452 | C | S | . | . | trans | -66.5 | 145.8 | -177.8 | 33.1 | -30.6 | 0 | 0 | 0 | 108.3 | V156 M157 L164 A209 N211 G214 C216 | P133-V156 HydrophobicContact CB-CG2 4.04Å; P133-M157 CarbonylContact C-O 3.52Å; P133-M157 VanDerWaalsContact CA-O 3.28Å; P133-M157 WeakPolarHBondContact CA-O 3.21Å; P133-L164 HydrophobicContact CB-CD1 3.6Å; P133-L164 HydrophobicContact CG-CD1 4.36Å; P133-A209 HydrophobicContact CB-CB 4.41Å; P133-A209 WeakPolarHBondContact CG-O 3.45Å; P133-N211 VanDerWaalsContact CD-OD1 3.29Å; P133-N211 WeakPolarHBondContact CD-OD1 3.26Å; P133-G214 VanDerWaalsContact CD-C 3.46Å; P133-G214 WeakPolarHBondContact CD-O 3.39Å; P133-G214 WeakPolarHBondContact CG-O 3.49Å; P133-C216 WeakPolarHBondContact O-CB 3.23Å; P133-C216 PolarHBondContact O-SG 3.16Å; P133-C216 VanDerWaalsContact O-SG 3.35Å | ||
| 134 | H | 89.5 | Confident | 71.3 | Confident | 89 Ų | 89 | 81.2 Ų | 81.2 | 41% | 0.412 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 147.5 | 173.4 | 62.6 | -76.6 | 0 | 0 | 0 | 109.5 | V136 V156 M157 C216 | H134-V136 PolarHBondContact O-N 3.4Å; H134-V156 WeakPolarHBondContact O-CA 3.49Å; H134-M157 PolarHBondContact N-O 3.48Å; H134-M157 PolarHBondContact ND1-O 2.75Å; H134-M157 PolarHBondContact O-N 3.14Å; H134-C216 VanDerWaalsContact CA-SG 3.54Å |
| 135 | F | 89.7 | Confident | 73.6 | Confident | 18 Ų | 18 | 77.1 Ų | 77.1 | 8% | 0.079 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 114.9 | 174.6 | -76.3 | -84.7 | 0 | 0 | 0 | 110 | W137 N138 R155 V156 V190 I207 A209 C216 | F135-W137 WeakPolarHBondContact CD1-O 3.3Å; F135-N138 WeakPolarHBondContact CB-OD1 3.4Å; F135-N138 PolarHBondContact O-ND2 2.88Å; F135-R155 CarbonylContact C-O 3.51Å; F135-R155 WeakPolarHBondContact CA-O 3.24Å; F135-V156 HydrophobicContact CD1-CB 4.32Å; F135-V156 HydrophobicContact CE1-CB 4.15Å; F135-V190 HydrophobicContact CE1-CG2 3.98Å; F135-I207 HydrophobicContact CE1-CD1 4.36Å; F135-I207 HydrophobicContact CE1-CG2 3.77Å; F135-I207 HydrophobicContact CE2-CG2 4.13Å; F135-I207 HydrophobicContact CZ-CB 4.32Å; F135-I207 HydrophobicContact CZ-CD1 4.24Å; F135-I207 HydrophobicContact CZ-CG1 4.23Å; F135-I207 HydrophobicContact CZ-CG2 3.39Å; F135-A209 HydrophobicContact CE2-CB 4.22Å; F135-A209 HydrophobicContact CZ-CB 4.09Å; F135-C216 HydrophobicContact CD2-CB 4.21Å; F135-C216 VanDerWaalsContact CD2-SG 3.52Å; F135-C216 HydrophobicContact CE2-CB 4.44Å; F135-C216 VanDerWaalsContact CE2-SG 3.52Å |
| 136 | V | 83.7 | Confident | 76 | Confident | 42 Ų | 42 | 71 Ų | 71 | 26% | 0.255 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | -40.7 | 166.5 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | H134 R155 M157 Q710 | H134-V136 PolarHBondContact O-N 3.4Å; V136-R155 PolarHBondContact N-O 3.34Å; V136-M157 HydrophobicContact CB-CG 4.44Å; V136-M157 HydrophobicContact CG2-CB 3.8Å; V136-M157 HydrophobicContact CG2-CG 3.29Å; V136-Q710 PolarHBondContact O-OE1 2.8Å |
| 137 | W | 84.3 | Confident | 77.7 | Confident | 81 Ų | 81 | 62.7 Ų | 62.7 | 31% | 0.307 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 116.4 | 168.5 | -54.2 | -20.3 | 0 | 0 | 0 | 109.2 | F135 G154 R155 Y189 | F135-W137 WeakPolarHBondContact CD1-O 3.3Å; W137-G154 CarbonylContact O-C 3.51Å; W137-G154 WeakPolarHBondContact O-CA 3.32Å; W137-R155 HydrophobicContact CB-CB 3.9Å; W137-R155 HydrophobicContact CD2-CB 3.75Å; W137-R155 HydrophobicContact CE3-CB 3.84Å; W137-R155 HydrophobicContact CG-CB 3.8Å; W137-R155 PolarHBondContact N-O 3.08Å; W137-R155 VanDerWaalsContact N-O 3.15Å; W137-R155 PolarHBondContact O-N 2.98Å; W137-Y189 HydrophobicContact CE3-CE1 4.35Å; W137-Y189 AromaticContact CH2-CE1 3.95Å; W137-Y189 HydrophobicContact CH2-CE1 3.95Å; W137-Y189 HydrophobicContact CZ3-CD1 4.19Å; W137-Y189 AromaticContact CZ3-CE1 3.57Å; W137-Y189 HydrophobicContact CZ3-CE1 3.57Å |
| 138 | N | 87.8 | Confident | 79.6 | Confident | 25 Ų | 25 | 60.6 Ų | 60.6 | 13% | 0.134 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 157.6 | 174.8 | -77 | -85.3 | 0 | 0 | 0 | 111 | F135 S218 M711 | F135-N138 WeakPolarHBondContact CB-OD1 3.4Å; F135-N138 PolarHBondContact O-ND2 2.88Å; N138-S218 VanDerWaalsContact CA-OG 3.25Å; N138-S218 WeakPolarHBondContact CA-OG 3.23Å; N138-S218 VanDerWaalsContact CB-OG 3.25Å; N138-S218 WeakPolarHBondContact CB-OG 3.33Å; N138-S218 WeakPolarHBondContact OD1-CB 3.35Å; N138-S218 PolarHBondContact OD1-OG 3Å; N138-M711 HydrophobicContact CB-CE 3.58Å; N138-M711 WeakPolarHBondContact ND2-CE 3.48Å; N138-M711 PolarHBondContact ND2-SD 3.11Å |
| 139 | L | 91.9 | Very high | 81.7 | Confident | 10 Ų | 10 | 56.6 Ų | 56.6 | 5% | 0.052 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 140.5 | 170 | -54.2 | -173.1 | 0 | 0 | 0 | 109 | F152 Q153 W168 I207 S218 A220 | L139-F152 HydrophobicContact CD2-CB 4.21Å; L139-Q153 WeakPolarHBondContact CD2-O 3.45Å; L139-W168 HydrophobicContact CD1-CE3 4.49Å; L139-W168 HydrophobicContact CD1-CH2 3.83Å; L139-W168 HydrophobicContact CD1-CZ3 3.52Å; L139-W168 HydrophobicContact CD2-CH2 3.7Å; L139-W168 HydrophobicContact CD2-CZ3 4.28Å; L139-W168 HydrophobicContact CG-CH2 4.43Å; L139-I207 HydrophobicContact CD1-CB 4.23Å; L139-I207 HydrophobicContact CD1-CG2 3.62Å; L139-I207 HydrophobicContact CD2-CG2 4.17Å; L139-I207 HydrophobicContact CG-CG2 3.83Å; L139-S218 PolarHBondContact N-OG 3.32Å; L139-A220 HydrophobicContact CB-CB 3.46Å; L139-A220 VanDerWaalsContact CB-CB 3.46Å; L139-A220 HydrophobicContact CD1-CB 4.36Å |
| 140 | T | 88.4 | Confident | 83.6 | Confident | 95 Ų | 95 | 55.2 Ų | 55.2 | 58% | 0.583 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -103.2 | 140.9 | 174.7 | 52.3 | 0 | 0 | 0 | 0 | 109.6 | A142 F152 A220 | T140-A142 PolarHBondContact O-N 2.89Å; T140-F152 WeakPolarHBondContact O-CE1 3.41Å; T140-A220 WeakPolarHBondContact O-CB 3.48Å |
| 141 | N | 92.4 | Very high | 85.4 | Confident | 119 Ų | 119 | 55.7 Ų | 55.7 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 140.5 | 169.7 | -64.6 | -17.6 | 0 | 0 | 0 | 109.7 | Q221 | N141-Q221 VanDerWaalsContact CA-O 3.28Å; N141-Q221 WeakPolarHBondContact CA-O 3.26Å; N141-Q221 PolarHBondContact OD1-N 3.15Å |
| 142 | A | 87.9 | Confident | 86.5 | Confident | 22 Ų | 22 | 49.6 Ų | 49.6 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 134.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | T140 V150 F152 Q221 L222 T223 | T140-A142 PolarHBondContact O-N 2.89Å; A142-V150 HydrophobicContact CB-CG1 3.82Å; A142-F152 HydrophobicContact CB-CE1 3.9Å; A142-F152 HydrophobicContact CB-CZ 4.1Å; A142-Q221 PolarHBondContact N-O 3.1Å; A142-L222 HydrophobicContact CB-CD1 3.86Å; A142-L222 WeakPolarHBondContact O-CA 3.41Å; A142-L222 WeakPolarHBondContact O-CD1 3.43Å; A142-T223 PolarHBondContact O-N 2.76Å |
| 143 | E | 90.5 | Very high | 87 | Confident | 115 Ų | 115 | 52.8 Ų | 52.8 | 54% | 0.537 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 112.9 | 173 | -170.2 | 174.4 | -142.4 | 0 | 0 | 108.5 | T223 K225 | E143-T223 CarbonylContact C-O 3.57Å; E143-T223 VanDerWaalsContact CA-O 3.24Å; E143-T223 WeakPolarHBondContact CA-O 3.3Å; E143-T223 HydrophobicContact CG-CG2 4.15Å; E143-K225 HydrophobicContact CG-CD 4.16Å; E143-K225 HydrophobicContact CG-CG 4.04Å; E143-K225 WeakPolarHBondContact OE1-CE 3.39Å; E143-K225 IonicContact OE1-NZ 2.64Å; E143-K225 PolarHBondContact OE1-NZ 3.31Å; E143-K225 WeakPolarHBondContact OE2-CE 3.28Å; E143-K225 IonicContact OE2-NZ 2.75Å; E143-K225 PolarHBondContact OE2-NZ 3.01Å |
| 144 | V | 87.8 | Confident | 86.9 | Confident | 19 Ų | 19 | 52.6 Ų | 52.6 | 12% | 0.115 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 154.4 | -175.2 | -63.9 | 0 | 0 | 0 | 0 | 110.9 | Q148 V150 A197 L222 T223 V224 K225 | V144-Q148 HydrophobicContact CB-CB 4.17Å; V144-V150 HydrophobicContact CB-CG2 4.08Å; V144-V150 HydrophobicContact CG1-CG2 3.65Å; V144-V150 HydrophobicContact CG2-CG2 3.39Å; V144-A197 HydrophobicContact CG2-CB 3.82Å; V144-L222 HydrophobicContact CG2-CD1 4.09Å; V144-T223 PolarHBondContact N-O 3.37Å; V144-V224 HydrophobicContact CG2-CG1 4.37Å; V144-V224 HydrophobicContact CG2-CG2 4.03Å; V144-V224 CarbonylContact O-C 3.51Å; V144-V224 VanDerWaalsContact O-CA 3.28Å; V144-V224 WeakPolarHBondContact O-CA 3.31Å; V144-K225 PolarHBondContact O-N 3.29Å |
| 145 | A | 80.2 | Confident | 87 | Confident | 31 Ų | 31 | 50.4 Ų | 50.4 | 26% | 0.256 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 150.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | G147 Q148 K225 | A145-G147 PolarHBondContact O-N 3.45Å; A145-Q148 HydrophobicContact CB-CG 4.32Å; A145-Q148 WeakPolarHBondContact O-CB 3.37Å; A145-Q148 PolarHBondContact O-N 3.46Å; A145-K225 CarbonylContact C-O 3.4Å; A145-K225 WeakPolarHBondContact CA-O 3.32Å |
| 146 | E | 82 | Confident | 87 | Confident | 33 Ų | 33 | 49.6 Ų | 49.6 | 15% | 0.154 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | 130.5 | 172.2 | 176.9 | 176.4 | -170.6 | 0 | 0 | 111.8 | A197 Y198 P199 V224 K225 N1186 | E146-A197 CarbonylContact C-O 3.46Å; E146-A197 WeakPolarHBondContact CA-O 3.39Å; E146-Y198 HydrophobicContact CG-CD1 4.47Å; E146-P199 HydrophobicContact CG-CG 4.48Å; E146-V224 HydrophobicContact CB-CG1 4.09Å; E146-K225 PolarHBondContact N-O 3.08Å; E146-N1186 PolarHBondContact OE1-ND2 2.87Å |
| 147 | G | 72.8 | Confident | 87.1 | Confident | 8 Ų | 8 | 49.7 Ų | 49.7 | 8% | 0.082 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | -7.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A145 A197 T311 | A145-G147 PolarHBondContact O-N 3.45Å; G147-A197 PolarHBondContact N-O 2.78Å; G147-T311 WeakPolarHBondContact O-CG2 3.14Å |
| 148 | Q | 78.6 | Confident | 87.1 | Confident | 77 Ų | 77 | 46.2 Ų | 46.2 | 36% | 0.36 | 24% | 0.241 | S | C | . | . | trans | -76.1 | 153.7 | 174.2 | -69.5 | -164.8 | -55.6 | 0 | 0 | 112.1 | V144 A145 A197 | V144-Q148 HydrophobicContact CB-CB 4.17Å; A145-Q148 HydrophobicContact CB-CG 4.32Å; A145-Q148 WeakPolarHBondContact O-CB 3.37Å; A145-Q148 PolarHBondContact O-N 3.46Å; Q148-A197 WeakPolarHBondContact O-CB 3.42Å; Q148-A197 PolarHBondContact O-N 3.18Å | ||
| 149 | S | 83.8 | Confident | 86.5 | Confident | 61 Ų | 61 | 46.4 Ų | 46.4 | 43% | 0.427 | 24% | 0.244 | S | C | . | . | trans | -77.7 | 142.6 | 171 | -49.1 | 0 | 0 | 0 | 0 | 110.5 | I194 L195 | S149-I194 CarbonylContact C-O 3.54Å; S149-I194 WeakPolarHBondContact CA-O 3.28Å; S149-L195 WeakPolarHBondContact CA-O 3.34Å; S149-L195 WeakPolarHBondContact CB-O 3.33Å; S149-L195 PolarHBondContact OG-O 2.71Å | ||
| 150 | V | 88.2 | Confident | 85.3 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136.5 | 176.2 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | A142 V144 F152 D193 I194 A197 L222 | A142-V150 HydrophobicContact CB-CG1 3.82Å; V144-V150 HydrophobicContact CB-CG2 4.08Å; V144-V150 HydrophobicContact CG1-CG2 3.65Å; V144-V150 HydrophobicContact CG2-CG2 3.39Å; V150-F152 HydrophobicContact CG1-CD2 4.27Å; V150-F152 HydrophobicContact CG1-CE2 3.91Å; V150-F152 HydrophobicContact CG1-CZ 4.08Å; V150-D193 CarbonylContact O-C 3.45Å; V150-D193 WeakPolarHBondContact O-CA 3.45Å; V150-I194 HydrophobicContact CB-CB 4.14Å; V150-I194 HydrophobicContact CB-CD1 4.33Å; V150-I194 HydrophobicContact CB-CG1 4.48Å; V150-I194 PolarHBondContact N-O 2.97Å; V150-I194 PolarHBondContact O-N 3.18Å; V150-A197 HydrophobicContact CG2-CB 3.71Å; V150-L222 HydrophobicContact CB-CD1 4.46Å; V150-L222 HydrophobicContact CG1-CD1 3.92Å; V150-L222 HydrophobicContact CG2-CD1 3.77Å; V150-L222 HydrophobicContact CG2-CD2 4.21Å |
| 151 | R | 92.1 | Very high | 84.5 | Confident | 139 Ų | 139 | 48.2 Ų | 48.2 | 53% | 0.525 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 116.6 | 168.4 | 173 | 170.6 | -79.1 | 178.4 | -2.5 | 109.4 | Q153 L192 D193 | R151-Q153 HydrophobicContact CG-CB 4.46Å; R151-L192 WeakPolarHBondContact CA-O 3.23Å; R151-D193 WeakPolarHBondContact CB-OD1 3.25Å; R151-D193 WeakPolarHBondContact CG-OD1 3.46Å; R151-D193 IonicContact CZ-OD1 3.42Å; R151-D193 IonicContact CZ-OD2 3.94Å; R151-D193 IonicContact NE-OD1 2.67Å; R151-D193 PolarHBondContact NE-OD1 3.45Å; R151-D193 IonicContact NE-OD2 3.4Å; R151-D193 VanDerWaalsContact NH2-CG 3.34Å; R151-D193 IonicContact NH2-OD1 3.27Å; R151-D193 PolarHBondContact NH2-OD1 2.83Å; R151-D193 IonicContact NH2-OD2 3.76Å; R151-D193 PolarHBondContact NH2-OD2 3.15Å |
| 152 | F | 93.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 134.9 | 161.7 | -68.6 | -68.6 | 0 | 0 | 0 | 108.4 | L139 T140 A142 V150 W168 F191 L192 I194 Y205 A220 L222 | L139-F152 HydrophobicContact CD2-CB 4.21Å; T140-F152 WeakPolarHBondContact O-CE1 3.41Å; A142-F152 HydrophobicContact CB-CE1 3.9Å; A142-F152 HydrophobicContact CB-CZ 4.1Å; V150-F152 HydrophobicContact CG1-CD2 4.27Å; V150-F152 HydrophobicContact CG1-CE2 3.91Å; V150-F152 HydrophobicContact CG1-CZ 4.08Å; F152-W168 HydrophobicContact CB-CH2 3.65Å; F152-W168 HydrophobicContact CB-CZ3 3.87Å; F152-W168 HydrophobicContact CG-CZ3 4.47Å; F152-F191 CarbonylContact O-C 3.53Å; F152-F191 WeakPolarHBondContact O-CA 3.34Å; F152-F191 VanDerWaalsContact O-CB 3.3Å; F152-F191 WeakPolarHBondContact O-CB 3.38Å; F152-L192 HydrophobicContact CB-CB 4.32Å; F152-L192 HydrophobicContact CD2-CD2 4.21Å; F152-L192 PolarHBondContact N-O 3.49Å; F152-L192 PolarHBondContact O-N 3.39Å; F152-I194 HydrophobicContact CD2-CD1 4.44Å; F152-I194 HydrophobicContact CE2-CD1 4.04Å; F152-Y205 HydrophobicContact CD2-CD1 4.4Å; F152-Y205 HydrophobicContact CD2-CG 4.18Å; F152-Y205 HydrophobicContact CE2-CD1 4.16Å; F152-Y205 AromaticContact CE2-CD2 3.63Å; F152-Y205 HydrophobicContact CE2-CD2 3.63Å; F152-Y205 HydrophobicContact CE2-CE2 4.08Å; F152-Y205 AromaticContact CE2-CG 3.68Å; F152-Y205 HydrophobicContact CE2-CG 3.68Å; F152-Y205 AromaticContact CZ-CD2 3.93Å; F152-Y205 HydrophobicContact CZ-CD2 3.93Å; F152-Y205 HydrophobicContact CZ-CG 4.25Å; F152-A220 HydrophobicContact CD1-CB 3.8Å; F152-A220 HydrophobicContact CE1-CB 3.56Å; F152-A220 HydrophobicContact CZ-CB 4.49Å; F152-L222 HydrophobicContact CE2-CB 4.36Å; F152-L222 HydrophobicContact CE2-CD2 4.37Å; F152-L222 HydrophobicContact CZ-CB 3.86Å; F152-L222 HydrophobicContact CZ-CD1 4.21Å; F152-L222 HydrophobicContact CZ-CG 4.42Å |
| 153 | Q | 91.5 | Very high | 82.6 | Confident | 111 Ų | 111 | 49 Ų | 49 | 52% | 0.519 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 150.1 | 178.4 | 66.1 | -178.2 | 15.6 | 0 | 0 | 110.6 | L139 R151 V190 F191 | L139-Q153 WeakPolarHBondContact CD2-O 3.45Å; R151-Q153 HydrophobicContact CG-CB 4.46Å; Q153-V190 CarbonylContact C-O 3.54Å; Q153-V190 VanDerWaalsContact CA-O 3.29Å; Q153-V190 WeakPolarHBondContact CA-O 3.16Å; Q153-F191 HydrophobicContact CB-CB 4.22Å |
| 154 | G | 88.6 | Confident | 82.2 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 173.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | W137 V190 | W137-G154 CarbonylContact O-C 3.51Å; W137-G154 WeakPolarHBondContact O-CA 3.32Å; G154-V190 VanDerWaalsContact C-CG2 3.45Å; G154-V190 PolarHBondContact N-O 3.36Å; G154-V190 VanDerWaalsContact O-CG2 3.31Å; G154-V190 WeakPolarHBondContact O-CG2 3.26Å; G154-V190 PolarHBondContact O-N 2.73Å |
| 155 | R | 90.9 | Very high | 82 | Confident | 44 Ų | 44 | 45 Ų | 45 | 17% | 0.166 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 116.2 | 177.3 | -172.1 | 170.6 | -176.7 | 174.5 | -1 | 109.2 | F135 V136 W137 G188 Y189 | F135-R155 CarbonylContact C-O 3.51Å; F135-R155 WeakPolarHBondContact CA-O 3.24Å; V136-R155 PolarHBondContact N-O 3.34Å; W137-R155 HydrophobicContact CB-CB 3.9Å; W137-R155 HydrophobicContact CD2-CB 3.75Å; W137-R155 HydrophobicContact CE3-CB 3.84Å; W137-R155 HydrophobicContact CG-CB 3.8Å; W137-R155 PolarHBondContact N-O 3.08Å; W137-R155 VanDerWaalsContact N-O 3.15Å; W137-R155 PolarHBondContact O-N 2.98Å; R155-G188 CarbonylContact C-O 3.44Å; R155-G188 VanDerWaalsContact CA-O 3.25Å; R155-G188 WeakPolarHBondContact CA-O 3.35Å; R155-Y189 PolarHBondContact NH1-OH 3.44Å; R155-Y189 VanDerWaalsContact NH1-OH 3.14Å |
| 156 | V | 90.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 134.1 | 175.4 | 58.8 | 0 | 0 | 0 | 0 | 110.1 | P133 H134 F135 L164 V166 F185 G188 V190 A209 | P133-V156 HydrophobicContact CB-CG2 4.04Å; H134-V156 WeakPolarHBondContact O-CA 3.49Å; F135-V156 HydrophobicContact CD1-CB 4.32Å; F135-V156 HydrophobicContact CE1-CB 4.15Å; V156-L164 HydrophobicContact CG1-CD2 3.82Å; V156-L164 HydrophobicContact CG2-CD1 4.21Å; V156-L164 HydrophobicContact CG2-CD2 4.02Å; V156-V166 HydrophobicContact CG1-CG2 4.48Å; V156-F185 HydrophobicContact CG1-CE2 3.58Å; V156-F185 HydrophobicContact CG1-CZ 4.13Å; V156-G188 WeakPolarHBondContact CG1-O 3.4Å; V156-G188 PolarHBondContact N-O 2.87Å; V156-G188 VanDerWaalsContact O-CA 3.22Å; V156-G188 WeakPolarHBondContact O-CA 3.38Å; V156-V190 HydrophobicContact CG1-CG1 4.2Å; V156-A209 HydrophobicContact CB-CB 4.39Å; V156-A209 HydrophobicContact CG2-CB 3.72Å |
| 157 | M | 85.2 | Confident | 82.8 | Confident | 44 Ų | 44 | 46 Ų | 46 | 22% | 0.217 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 151.2 | 171.1 | -69.7 | -63.2 | -76.2 | 0 | 0 | 109.5 | P133 H134 V136 S159 | P133-M157 CarbonylContact C-O 3.52Å; P133-M157 VanDerWaalsContact CA-O 3.28Å; P133-M157 WeakPolarHBondContact CA-O 3.21Å; H134-M157 PolarHBondContact N-O 3.48Å; H134-M157 PolarHBondContact ND1-O 2.75Å; H134-M157 PolarHBondContact O-N 3.14Å; V136-M157 HydrophobicContact CB-CG 4.44Å; V136-M157 HydrophobicContact CG2-CB 3.8Å; V136-M157 HydrophobicContact CG2-CG 3.29Å; M157-S159 VanDerWaalsContact SD-CB 3.56Å; M157-S159 PolarHBondContact SD-N 2.93Å; M157-S159 VanDerWaalsContact SD-N 3.38Å |
| 158 | P | 83.9 | Confident | 83.7 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | cis | -69.5 | 129 | -0.5 | 29.3 | -37 | 0 | 0 | 0 | 113.2 | S129 N160 D161 L164 | S129-P158 WeakPolarHBondContact O-CG 3.03Å; P158-N160 PolarHBondContact O-N 2.85Å; P158-D161 HydrophobicContact CB-CB 4.31Å; P158-D161 HydrophobicContact CG-CB 3.66Å; P158-D161 PolarHBondContact O-N 2.85Å; P158-L164 WeakPolarHBondContact O-CD2 3.42Å | ||
| 159 | S | 76.4 | Confident | 84.4 | Confident | 29 Ų | 29 | 45.5 Ų | 45.5 | 20% | 0.203 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -21.6 | 179.7 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | M157 F187 | M157-S159 VanDerWaalsContact SD-CB 3.56Å; M157-S159 PolarHBondContact SD-N 2.93Å; M157-S159 VanDerWaalsContact SD-N 3.38Å; S159-F187 WeakPolarHBondContact CB-O 3.38Å |
| 160 | N | 65.6 | Low | 84.8 | Confident | 119 Ų | 119 | 44.8 Ų | 44.8 | 64% | 0.636 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104 | 21.9 | -175.4 | -64.2 | -1.1 | 0 | 0 | 0 | 112 | P158 P162 | P158-N160 PolarHBondContact O-N 2.85Å; N160-P162 VanDerWaalsContact O-CD 3.23Å; N160-P162 WeakPolarHBondContact O-CD 2.85Å |
| 161 | D | 73.1 | Confident | 84.7 | Confident | 25 Ų | 25 | 48.1 Ų | 48.1 | 13% | 0.134 | 23% | 0.232 | C | C | . | . | trans | -89 | 110 | 174 | -179.3 | -3.7 | 0 | 0 | 0 | 111.1 | P158 K163 L164 N211 | P158-D161 HydrophobicContact CB-CB 4.31Å; P158-D161 HydrophobicContact CG-CB 3.66Å; P158-D161 PolarHBondContact O-N 2.85Å; D161-K163 PolarHBondContact O-N 3.02Å; D161-K163 VanDerWaalsContact O-N 3.09Å; D161-K163 WeakPolarHBondContact OD1-CA 3.17Å; D161-K163 WeakPolarHBondContact OD1-CB 3.31Å; D161-K163 PolarHBondContact OD1-N 3.49Å; D161-L164 HydrophobicContact CB-CB 4.15Å; D161-L164 VanDerWaalsContact O-CB 3.26Å; D161-L164 WeakPolarHBondContact O-CB 3.29Å; D161-L164 PolarHBondContact O-N 2.81Å; D161-L164 VanDerWaalsContact O-N 3.13Å; D161-N211 WeakPolarHBondContact OD2-CB 3.47Å; D161-N211 VanDerWaalsContact OD2-CG 3.29Å; D161-N211 PolarHBondContact OD2-ND2 3.08Å | ||
| 162 | P | 66.8 | Low | 84.3 | Confident | 54 Ų | 54 | 51.4 Ų | 51.4 | 35% | 0.351 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -11.8 | -179.5 | 24 | -31.7 | 0 | 0 | 0 | 114.1 | V40 A41 N160 | V40-P162 HydrophobicContact CG1-CB 3.42Å; V40-P162 VanDerWaalsContact CG1-CB 3.42Å; V40-P162 VanDerWaalsContact CG1-O 3.31Å; V40-P162 WeakPolarHBondContact CG1-O 3.4Å; A41-P162 PolarHBondContact N-O 2.96Å; N160-P162 VanDerWaalsContact O-CD 3.23Å; N160-P162 WeakPolarHBondContact O-CD 2.85Å |
| 163 | K | 72.9 | Confident | 83.6 | Confident | 102 Ų | 102 | 59.1 Ų | 59.1 | 44% | 0.443 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 2.8 | 179 | -59.6 | -174.8 | 178.6 | 162.5 | 0 | 113.3 | D161 N165 Q212 | D161-K163 PolarHBondContact O-N 3.02Å; D161-K163 VanDerWaalsContact O-N 3.09Å; D161-K163 WeakPolarHBondContact OD1-CA 3.17Å; D161-K163 WeakPolarHBondContact OD1-CB 3.31Å; D161-K163 PolarHBondContact OD1-N 3.49Å; K163-N165 PolarHBondContact O-N 2.64Å; K163-Q212 HydrophobicContact CB-CG 4.43Å; K163-Q212 HydrophobicContact CD-CG 3.6Å; K163-Q212 VanDerWaalsContact CD-NE2 3.29Å |
| 164 | L | 81.9 | Confident | 83.3 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | trans | -70.6 | 117.2 | 175.9 | -172.8 | 59.7 | 0 | 0 | 0 | 110.7 | N42 P133 V156 P158 D161 F185 A209 R210 N211 | N42-L164 PolarHBondContact ND2-O 2.98Å; P133-L164 HydrophobicContact CB-CD1 3.6Å; P133-L164 HydrophobicContact CG-CD1 4.36Å; V156-L164 HydrophobicContact CG1-CD2 3.82Å; V156-L164 HydrophobicContact CG2-CD1 4.21Å; V156-L164 HydrophobicContact CG2-CD2 4.02Å; P158-L164 WeakPolarHBondContact O-CD2 3.42Å; D161-L164 HydrophobicContact CB-CB 4.15Å; D161-L164 VanDerWaalsContact O-CB 3.26Å; D161-L164 WeakPolarHBondContact O-CB 3.29Å; D161-L164 PolarHBondContact O-N 2.81Å; D161-L164 VanDerWaalsContact O-N 3.13Å; L164-F185 HydrophobicContact CD2-CZ 3.76Å; L164-F185 HydrophobicContact CG-CZ 4.15Å; L164-A209 HydrophobicContact CD1-CB 4.13Å; L164-R210 WeakPolarHBondContact CA-O 3.19Å; L164-N211 HydrophobicContact CD1-CB 4.37Å | ||
| 165 | N | 84.2 | Confident | 83.2 | Confident | 49 Ų | 49 | 59.4 Ų | 59.4 | 26% | 0.262 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 141.7 | 173.7 | -175.5 | 45 | 0 | 0 | 0 | 110.5 | K163 E167 A209 R210 | K163-N165 PolarHBondContact O-N 2.64Å; N165-E167 PolarHBondContact ND2-OE1 3.43Å; N165-A209 CarbonylContact O-C 3.48Å; N165-A209 VanDerWaalsContact O-CA 3.29Å; N165-A209 WeakPolarHBondContact O-CA 3.47Å; N165-R210 HydrophobicContact CB-CG 3.99Å; N165-R210 PolarHBondContact N-O 2.82Å; N165-R210 PolarHBondContact ND2-NH1 3.42Å; N165-R210 PolarHBondContact ND2-NH2 3.2Å; N165-R210 PolarHBondContact O-N 2.78Å |
| 166 | V | 88.9 | Confident | 82.5 | Confident | 23 Ų | 23 | 64.4 Ų | 64.4 | 14% | 0.139 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 128.5 | -175.7 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | V156 F185 V190 I207 V208 A209 | V156-V166 HydrophobicContact CG1-CG2 4.48Å; V166-F185 HydrophobicContact CB-CD1 4.47Å; V166-F185 HydrophobicContact CB-CG 4.38Å; V166-F185 HydrophobicContact CG2-CD1 3.95Å; V166-F185 HydrophobicContact CG2-CD2 3.98Å; V166-F185 HydrophobicContact CG2-CE1 3.92Å; V166-F185 HydrophobicContact CG2-CE2 3.96Å; V166-F185 HydrophobicContact CG2-CG 3.98Å; V166-F185 HydrophobicContact CG2-CZ 3.95Å; V166-V190 HydrophobicContact CG1-CG1 3.81Å; V166-V190 HydrophobicContact CG2-CG1 4.22Å; V166-I207 HydrophobicContact CG1-CD1 3.26Å; V166-I207 HydrophobicContact CG1-CG1 3.43Å; V166-I207 VanDerWaalsContact CG1-CG1 3.43Å; V166-V208 CarbonylContact C-O 3.51Å; V166-V208 WeakPolarHBondContact CA-O 3.23Å; V166-A209 HydrophobicContact CG2-CB 4.07Å |
| 167 | E | 88.8 | Confident | 81.7 | Confident | 62 Ų | 62 | 68.7 Ų | 68.7 | 29% | 0.29 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 139.3 | 179.7 | -72.3 | 173 | -173.1 | 0 | 0 | 110.8 | N165 Y169 I207 V208 R210 | N165-E167 PolarHBondContact ND2-OE1 3.43Å; E167-Y169 HydrophobicContact CB-CE2 3.75Å; E167-Y169 PolarHBondContact OE2-OH 3.16Å; E167-I207 CarbonylContact O-C 3.47Å; E167-I207 WeakPolarHBondContact O-CA 3.48Å; E167-V208 PolarHBondContact N-O 3.13Å; E167-V208 PolarHBondContact O-N 3.26Å; E167-R210 IonicContact OE1-CZ 3.96Å; E167-R210 IonicContact OE1-NH1 3.14Å; E167-R210 PolarHBondContact OE1-NH1 3.18Å; E167-R210 IonicContact OE1-NH2 2.6Å; E167-R210 PolarHBondContact OE1-NH2 2.76Å; E167-R210 IonicContact OE2-NH1 3.38Å; E167-R210 PolarHBondContact OE2-NH1 3.24Å; E167-R210 VanDerWaalsContact OE2-NH1 3.07Å |
| 168 | W | 92.6 | Very high | 80.9 | Confident | 20 Ų | 20 | 68.5 Ų | 68.5 | 8% | 0.076 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 143.1 | 177.5 | -73.5 | 85.9 | 0 | 0 | 0 | 111 | L139 F152 L175 P183 V190 L192 S206 I207 | L139-W168 HydrophobicContact CD1-CE3 4.49Å; L139-W168 HydrophobicContact CD1-CH2 3.83Å; L139-W168 HydrophobicContact CD1-CZ3 3.52Å; L139-W168 HydrophobicContact CD2-CH2 3.7Å; L139-W168 HydrophobicContact CD2-CZ3 4.28Å; L139-W168 HydrophobicContact CG-CH2 4.43Å; F152-W168 HydrophobicContact CB-CH2 3.65Å; F152-W168 HydrophobicContact CB-CZ3 3.87Å; F152-W168 HydrophobicContact CG-CZ3 4.47Å; W168-L175 HydrophobicContact CB-CB 3.97Å; W168-L175 HydrophobicContact CB-CD2 4.02Å; W168-L175 WeakPolarHBondContact O-CB 3.38Å; W168-L175 PolarHBondContact O-N 2.87Å; W168-P183 HydrophobicContact CG-CB 4.24Å; W168-V190 HydrophobicContact CZ2-CB 4.47Å; W168-L192 HydrophobicContact CD2-CB 3.94Å; W168-L192 HydrophobicContact CD2-CD2 4.12Å; W168-L192 HydrophobicContact CE3-CB 3.9Å; W168-L192 HydrophobicContact CE3-CD2 3.6Å; W168-L192 HydrophobicContact CE3-CG 4.37Å; W168-L192 HydrophobicContact CH2-CB 3.54Å; W168-L192 HydrophobicContact CZ2-CB 3.58Å; W168-L192 HydrophobicContact CZ3-CB 3.69Å; W168-L192 HydrophobicContact CZ3-CD2 3.83Å; W168-L192 HydrophobicContact CZ3-CG 4.42Å; W168-S206 CarbonylContact C-O 3.58Å; W168-S206 WeakPolarHBondContact CA-O 3.48Å; W168-I207 HydrophobicContact CD2-CB 4.1Å; W168-I207 HydrophobicContact CD2-CD1 4.17Å; W168-I207 HydrophobicContact CD2-CG1 4.09Å; W168-I207 HydrophobicContact CE3-CB 4.07Å; W168-I207 HydrophobicContact CG-CG1 4.4Å; W168-I207 HydrophobicContact CH2-CB 4.4Å; W168-I207 HydrophobicContact CH2-CD1 4.22Å; W168-I207 HydrophobicContact CZ2-CB 4.41Å; W168-I207 HydrophobicContact CZ2-CD1 3.54Å; W168-I207 HydrophobicContact CZ2-CG1 4.3Å; W168-I207 HydrophobicContact CZ3-CB 4.23Å |
| 169 | Y | 92.4 | Very high | 79.8 | Confident | 55 Ų | 55 | 75 Ų | 75 | 22% | 0.216 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 142.9 | 179 | -65.7 | -101.7 | 0 | 0 | 0 | 109.5 | E167 K173 P174 Y205 S206 V208 | E167-Y169 HydrophobicContact CB-CE2 3.75Å; E167-Y169 PolarHBondContact OE2-OH 3.16Å; Y169-K173 CarbonylContact C-O 3.5Å; Y169-K173 WeakPolarHBondContact CA-O 3.39Å; Y169-P174 HydrophobicContact CD1-CG 4.3Å; Y169-P174 HydrophobicContact CE1-CB 4.46Å; Y169-P174 HydrophobicContact CE1-CG 3.93Å; Y169-Y205 WeakPolarHBondContact O-CA 3.21Å; Y169-S206 WeakPolarHBondContact CB-OG 3.36Å; Y169-S206 PolarHBondContact N-O 2.81Å; Y169-S206 PolarHBondContact O-N 3.29Å; Y169-V208 HydrophobicContact CD2-CB 4.49Å; Y169-V208 HydrophobicContact CD2-CG2 3.74Å; Y169-V208 HydrophobicContact CE2-CB 4.05Å; Y169-V208 HydrophobicContact CE2-CG2 3.6Å |
| 170 | F | 92.2 | Very high | 80.1 | Confident | 45 Ų | 45 | 75.5 Ų | 75.5 | 20% | 0.197 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121.4 | 170.2 | 170.2 | -116.7 | 0 | 0 | 0 | 108.5 | R172 K173 L175 E200 D201 Y205 | F170-R172 PolarHBondContact O-N 3.33Å; F170-K173 PolarHBondContact N-O 3.13Å; F170-K173 PolarHBondContact O-N 3.06Å; F170-L175 HydrophobicContact CB-CD1 3.79Å; F170-E200 WeakPolarHBondContact CZ-O 3.25Å; F170-D201 VanDerWaalsContact CE2-O 3.26Å; F170-D201 WeakPolarHBondContact CE2-O 3.41Å; F170-Y205 HydrophobicContact CB-CD1 4.42Å; F170-Y205 HydrophobicContact CB-CE1 4.18Å; F170-Y205 HydrophobicContact CD2-CD1 4.27Å; F170-Y205 HydrophobicContact CD2-CD2 4.08Å; F170-Y205 AromaticContact CD2-CE1 3.8Å; F170-Y205 HydrophobicContact CD2-CE1 3.8Å; F170-Y205 AromaticContact CD2-CE2 3.56Å; F170-Y205 HydrophobicContact CD2-CE2 3.56Å; F170-Y205 HydrophobicContact CD2-CG 4.4Å; F170-Y205 AromaticContact CD2-CZ 3.4Å; F170-Y205 VanDerWaalsContact CD2-CZ 3.4Å; F170-Y205 AromaticContact CE2-CE2 3.73Å; F170-Y205 HydrophobicContact CE2-CE2 3.73Å; F170-Y205 AromaticContact CE2-CZ 3.77Å; F170-Y205 HydrophobicContact CG-CE1 4.28Å |
| 171 | N | 87.5 | Confident | 81.2 | Confident | 78 Ų | 78 | 71.2 Ų | 71.2 | 42% | 0.417 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 46.5 | -174.4 | -67.4 | -34.1 | 0 | 0 | 0 | 112.1 | K173 G203 L204 | N171-K173 PolarHBondContact O-N 3.4Å; N171-G203 WeakPolarHBondContact OD1-CA 3.4Å; N171-L204 PolarHBondContact N-O 2.81Å; N171-L204 PolarHBondContact OD1-N 2.78Å |
| 172 | R | 82.7 | Confident | 81.8 | Confident | 208 Ų | 208 | 76.3 Ų | 76.3 | 79% | 0.785 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 6.6 | -178.1 | -53 | -179.5 | 176.8 | -173.8 | -2.7 | 116.1 | F170 | F170-R172 PolarHBondContact O-N 3.33Š|
| 173 | K | 78.6 | Confident | 82.9 | Confident | 161 Ų | 161 | 75.7 Ų | 75.7 | 70% | 0.7 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 141.1 | 172.4 | -65.5 | -177.9 | -179.9 | 178.2 | 0 | 110.1 | Y169 F170 N171 L175 | Y169-K173 CarbonylContact C-O 3.5Å; Y169-K173 WeakPolarHBondContact CA-O 3.39Å; F170-K173 PolarHBondContact N-O 3.13Å; F170-K173 PolarHBondContact O-N 3.06Å; N171-K173 PolarHBondContact O-N 3.4Å; K173-L175 PolarHBondContact O-N 2.88Å |
| 174 | P | 84.8 | Confident | 83.3 | Confident | 94 Ų | 94 | 72.4 Ų | 72.4 | 61% | 0.61 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 126.5 | 176.7 | -24.5 | 32.4 | 0 | 0 | 0 | 111.3 | Y169 L176 | Y169-P174 HydrophobicContact CD1-CG 4.3Å; Y169-P174 HydrophobicContact CE1-CB 4.46Å; Y169-P174 HydrophobicContact CE1-CG 3.93Å; P174-L176 PolarHBondContact O-N 2.81Å |
| 175 | L | 87.6 | Confident | 83.3 | Confident | 25 Ų | 25 | 74 Ų | 74 | 13% | 0.131 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 119.6 | 178 | -174.1 | 79.6 | 0 | 0 | 0 | 109.3 | W168 F170 K173 S177 F181 L192 Y205 | W168-L175 HydrophobicContact CB-CB 3.97Å; W168-L175 HydrophobicContact CB-CD2 4.02Å; W168-L175 WeakPolarHBondContact O-CB 3.38Å; W168-L175 PolarHBondContact O-N 2.87Å; F170-L175 HydrophobicContact CB-CD1 3.79Å; K173-L175 PolarHBondContact O-N 2.88Å; L175-S177 PolarHBondContact O-N 3.21Å; L175-F181 HydrophobicContact CD1-CD1 3.83Å; L175-F181 HydrophobicContact CD1-CE1 4.02Å; L175-F181 HydrophobicContact CD1-CG 4.15Å; L175-F181 HydrophobicContact CD1-CZ 4.47Å; L175-F181 HydrophobicContact CD2-CB 4.29Å; L175-F181 HydrophobicContact CD2-CD1 4.22Å; L175-F181 HydrophobicContact CD2-CG 4.49Å; L175-F181 HydrophobicContact CG-CD1 4.44Å; L175-F181 HydrophobicContact CG-CG 4.49Å; L175-L192 HydrophobicContact CD2-CD1 3.51Å; L175-L192 HydrophobicContact CD2-CD2 3.41Å; L175-L192 VanDerWaalsContact CD2-CD2 3.41Å; L175-L192 HydrophobicContact CD2-CG 4.11Å; L175-Y205 HydrophobicContact CD1-CE1 4.24Å |
| 176 | L | 76 | Confident | 82.8 | Confident | 150 Ų | 150 | 74.9 Ų | 74.9 | 79% | 0.785 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -78.3 | 119.2 | 176.6 | -68.7 | 169.6 | 0 | 0 | 0 | 110.5 | P174 G178 | P174-L176 PolarHBondContact O-N 2.81Å; L176-G178 PolarHBondContact O-N 2.9Å |
| 177 | S | 74 | Confident | 82.1 | Confident | 89 Ų | 89 | 78.2 Ų | 78.2 | 62% | 0.622 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -60 | 135.1 | 171.4 | -53 | 0 | 0 | 0 | 0 | 110.8 | L175 P183 | L175-S177 PolarHBondContact O-N 3.21Å; S177-P183 WeakPolarHBondContact OG-CG 3.32Å |
| 178 | G | 68.6 | Low | 81.6 | Confident | 41 Ų | 41 | 75.3 Ų | 75.3 | 42% | 0.423 | 38% | 0.375 | S | S | . | . | trans | -159.7 | -169.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L176 R180 F181 | L176-G178 PolarHBondContact O-N 2.9Å; G178-R180 PolarHBondContact O-N 2.68Å; G178-F181 PolarHBondContact N-O 2.78Å; G178-F181 CarbonylContact O-C 3.49Å | ||
| 179 | H | 59.6 | Low | 81.3 | Confident | 144 Ų | 144 | 79 Ų | 79 | 67% | 0.667 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -63.3 | -33.6 | 179.9 | 75.9 | -80 | 0 | 0 | 0 | 112.6 | R182 L195 | H179-R182 PolarHBondContact O-NE 3.03Å; H179-R182 VanDerWaalsContact O-NE 3.08Å; H179-L195 WeakPolarHBondContact O-CD1 3.26Å |
| 180 | R | 84.2 | Confident | 81.2 | Confident | 40 Ų | 40 | 76.5 Ų | 76.5 | 15% | 0.151 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -88 | -39.5 | -177.7 | -170 | 164.6 | 71.8 | 81.6 | -8.9 | 113.3 | G178 D193 I194 L195 Y196 D201 | G178-R180 PolarHBondContact O-N 2.68Å; R180-D193 VanDerWaalsContact O-O 3.12Å; R180-I194 WeakPolarHBondContact O-CA 3.42Å; R180-L195 PolarHBondContact O-N 2.78Å; R180-Y196 PolarHBondContact NH1-O 2.92Å; R180-D201 IonicContact CZ-OD1 3.22Å; R180-D201 VanDerWaalsContact CZ-OD1 3.28Å; R180-D201 IonicContact CZ-OD2 2.67Å; R180-D201 IonicContact NH1-OD1 3.98Å; R180-D201 PolarHBondContact NH1-OD1 3.36Å; R180-D201 IonicContact NH1-OD2 3.51Å; R180-D201 PolarHBondContact NH1-OD2 3.27Å; R180-D201 IonicContact NH2-OD1 3.51Å; R180-D201 PolarHBondContact NH2-OD1 3.41Å; R180-D201 IonicContact NH2-OD2 3.57Å |
| 181 | F | 88.5 | Confident | 81.1 | Confident | 29 Ų | 29 | 77.6 Ų | 77.6 | 13% | 0.127 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 108 | 177.2 | -61 | -80.4 | 0 | 0 | 0 | 110.3 | L175 G178 P183 L192 D193 I194 D201 Y205 | L175-F181 HydrophobicContact CD1-CD1 3.83Å; L175-F181 HydrophobicContact CD1-CE1 4.02Å; L175-F181 HydrophobicContact CD1-CG 4.15Å; L175-F181 HydrophobicContact CD1-CZ 4.47Å; L175-F181 HydrophobicContact CD2-CB 4.29Å; L175-F181 HydrophobicContact CD2-CD1 4.22Å; L175-F181 HydrophobicContact CD2-CG 4.49Å; L175-F181 HydrophobicContact CG-CD1 4.44Å; L175-F181 HydrophobicContact CG-CG 4.49Å; G178-F181 PolarHBondContact N-O 2.78Å; G178-F181 CarbonylContact O-C 3.49Å; F181-P183 VanDerWaalsContact O-CD 3.28Å; F181-P183 WeakPolarHBondContact O-CD 3.13Å; F181-L192 HydrophobicContact CB-CD1 4.25Å; F181-D193 CarbonylContact C-O 3.38Å; F181-D193 WeakPolarHBondContact CA-O 3.49Å; F181-I194 HydrophobicContact CD1-CD1 4.44Å; F181-I194 HydrophobicContact CD1-CG1 3.94Å; F181-I194 HydrophobicContact CD1-CG2 4.42Å; F181-I194 HydrophobicContact CE1-CD1 4.2Å; F181-I194 HydrophobicContact CE1-CG1 4.11Å; F181-I194 HydrophobicContact CE1-CG2 4.14Å; F181-D201 WeakPolarHBondContact CZ-OD1 3.24Å; F181-Y205 HydrophobicContact CE1-CE1 4.41Å |
| 182 | R | 85.5 | Confident | 81.3 | Confident | 132 Ų | 132 | 73.9 Ų | 73.9 | 50% | 0.498 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 87.9 | -176.8 | -57.5 | -178.1 | -178.1 | -173.6 | -1.6 | 110.9 | H179 D193 | H179-R182 PolarHBondContact O-NE 3.03Å; H179-R182 VanDerWaalsContact O-NE 3.08Å; R182-D193 HydrophobicContact CB-CB 4.24Å; R182-D193 PolarHBondContact N-O 2.78Å; R182-D193 PolarHBondContact O-N 3.01Å |
| 183 | P | 88.4 | Confident | 81.7 | Confident | 40 Ų | 40 | 65.3 Ų | 65.3 | 26% | 0.26 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 148.6 | 172.8 | 31 | -33.1 | 0 | 0 | 0 | 111.6 | W168 S177 F181 F191 L192 | W168-P183 HydrophobicContact CG-CB 4.24Å; S177-P183 WeakPolarHBondContact OG-CG 3.32Å; F181-P183 VanDerWaalsContact O-CD 3.28Å; F181-P183 WeakPolarHBondContact O-CD 3.13Å; P183-F191 CarbonylContact C-O 3.53Å; P183-F191 VanDerWaalsContact CA-O 3.27Å; P183-F191 WeakPolarHBondContact CA-O 3.04Å; P183-L192 HydrophobicContact CB-CD1 4.13Å |
| 184 | A | 82.1 | Confident | 82.3 | Confident | 34 Ų | 34 | 57.6 Ų | 57.6 | 28% | 0.281 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 152.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V190 F191 | A184-V190 WeakPolarHBondContact O-CA 3.17Å; A184-F191 HydrophobicContact CB-CD1 3.87Å; A184-F191 HydrophobicContact CB-CD2 4Å; A184-F191 HydrophobicContact CB-CE1 3.37Å; A184-F191 HydrophobicContact CB-CE2 3.51Å; A184-F191 HydrophobicContact CB-CG 4.17Å; A184-F191 HydrophobicContact CB-CZ 3.18Å; A184-F191 PolarHBondContact N-O 2.74Å; A184-F191 PolarHBondContact O-N 3.06Å |
| 185 | F | 82.6 | Confident | 82 | Confident | 36 Ų | 36 | 55.1 Ų | 55.1 | 16% | 0.158 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 124.7 | 177.5 | 175.6 | -127.9 | 0 | 0 | 0 | 110.5 | N42 V156 L164 V166 Y189 V190 | N42-F185 VanDerWaalsContact ND2-CD1 3.34Å; N42-F185 WeakPolarHBondContact ND2-CD1 3.4Å; N42-F185 WeakPolarHBondContact ND2-CE1 3.31Å; V156-F185 HydrophobicContact CG1-CE2 3.58Å; V156-F185 HydrophobicContact CG1-CZ 4.13Å; L164-F185 HydrophobicContact CD2-CZ 3.76Å; L164-F185 HydrophobicContact CG-CZ 4.15Å; V166-F185 HydrophobicContact CB-CD1 4.47Å; V166-F185 HydrophobicContact CB-CG 4.38Å; V166-F185 HydrophobicContact CG2-CD1 3.95Å; V166-F185 HydrophobicContact CG2-CD2 3.98Å; V166-F185 HydrophobicContact CG2-CE1 3.92Å; V166-F185 HydrophobicContact CG2-CE2 3.96Å; V166-F185 HydrophobicContact CG2-CG 3.98Å; V166-F185 HydrophobicContact CG2-CZ 3.95Å; F185-Y189 CarbonylContact C-O 3.48Å; F185-Y189 VanDerWaalsContact CA-O 3.28Å; F185-Y189 WeakPolarHBondContact CA-O 3.31Å; F185-Y189 WeakPolarHBondContact CD2-O 3.34Å; F185-V190 HydrophobicContact CB-CG1 4.41Å; F185-V190 HydrophobicContact CD2-CG1 3.36Å; F185-V190 HydrophobicContact CE2-CG1 3.94Å; F185-V190 HydrophobicContact CG-CG1 4.21Å |
| 186 | D | 72.7 | Confident | 81.8 | Confident | 66 Ų | 66 | 57.9 Ų | 57.9 | 35% | 0.353 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 129 | 176.8 | -145.6 | 19 | 0 | 0 | 0 | 111.7 | K45 G188 Y189 | K45-D186 VanDerWaalsContact NZ-CG 3.31Å; K45-D186 IonicContact NZ-OD1 3.73Å; K45-D186 PolarHBondContact NZ-OD1 2.77Å; K45-D186 IonicContact NZ-OD2 3.49Å; D186-G188 VanDerWaalsContact C-N 3.28Å; D186-G188 PolarHBondContact O-N 2.85Å; D186-Y189 PolarHBondContact N-O 2.8Å; D186-Y189 WeakPolarHBondContact O-CA 3.22Å; D186-Y189 VanDerWaalsContact O-CB 3.29Å; D186-Y189 WeakPolarHBondContact O-CB 3.39Å; D186-Y189 PolarHBondContact O-N 2.66Å |
| 187 | F | 74.4 | Confident | 82.2 | Confident | 94 Ų | 94 | 50.8 Ų | 50.8 | 41% | 0.412 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 41.7 | 176.8 | -64.5 | -81.8 | 0 | 0 | 0 | 115.1 | N58 S159 Y189 | N58-F187 WeakPolarHBondContact ND2-CZ 3.22Å; S159-F187 WeakPolarHBondContact CB-O 3.38Å; F187-Y189 PolarHBondContact O-N 3.04Å |
| 188 | G | 77.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | -15.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R155 V156 D186 | R155-G188 CarbonylContact C-O 3.44Å; R155-G188 VanDerWaalsContact CA-O 3.25Å; R155-G188 WeakPolarHBondContact CA-O 3.35Å; V156-G188 WeakPolarHBondContact CG1-O 3.4Å; V156-G188 PolarHBondContact N-O 2.87Å; V156-G188 VanDerWaalsContact O-CA 3.22Å; V156-G188 WeakPolarHBondContact O-CA 3.38Å; D186-G188 VanDerWaalsContact C-N 3.28Å; D186-G188 PolarHBondContact O-N 2.85Å |
| 189 | Y | 86.7 | Confident | 83.4 | Confident | 98 Ų | 98 | 50.3 Ų | 50.3 | 38% | 0.384 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 127.1 | 174.8 | -68.3 | -93.1 | 0 | 0 | 0 | 110.7 | W137 R155 F185 D186 F187 | W137-Y189 HydrophobicContact CE3-CE1 4.35Å; W137-Y189 AromaticContact CH2-CE1 3.95Å; W137-Y189 HydrophobicContact CH2-CE1 3.95Å; W137-Y189 HydrophobicContact CZ3-CD1 4.19Å; W137-Y189 AromaticContact CZ3-CE1 3.57Å; W137-Y189 HydrophobicContact CZ3-CE1 3.57Å; R155-Y189 PolarHBondContact NH1-OH 3.44Å; R155-Y189 VanDerWaalsContact NH1-OH 3.14Å; F185-Y189 CarbonylContact C-O 3.48Å; F185-Y189 VanDerWaalsContact CA-O 3.28Å; F185-Y189 WeakPolarHBondContact CA-O 3.31Å; F185-Y189 WeakPolarHBondContact CD2-O 3.34Å; D186-Y189 PolarHBondContact N-O 2.8Å; D186-Y189 WeakPolarHBondContact O-CA 3.22Å; D186-Y189 VanDerWaalsContact O-CB 3.29Å; D186-Y189 WeakPolarHBondContact O-CB 3.39Å; D186-Y189 PolarHBondContact O-N 2.66Å; F187-Y189 PolarHBondContact O-N 3.04Å |
| 190 | V | 90 | Very high | 84.5 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.4 | 174.1 | -65.5 | 0 | 0 | 0 | 0 | 109.1 | F135 Q153 G154 V156 V166 W168 A184 F185 I207 | F135-V190 HydrophobicContact CE1-CG2 3.98Å; Q153-V190 CarbonylContact C-O 3.54Å; Q153-V190 VanDerWaalsContact CA-O 3.29Å; Q153-V190 WeakPolarHBondContact CA-O 3.16Å; G154-V190 VanDerWaalsContact C-CG2 3.45Å; G154-V190 PolarHBondContact N-O 3.36Å; G154-V190 VanDerWaalsContact O-CG2 3.31Å; G154-V190 WeakPolarHBondContact O-CG2 3.26Å; G154-V190 PolarHBondContact O-N 2.73Å; V156-V190 HydrophobicContact CG1-CG1 4.2Å; V166-V190 HydrophobicContact CG1-CG1 3.81Å; V166-V190 HydrophobicContact CG2-CG1 4.22Å; W168-V190 HydrophobicContact CZ2-CB 4.47Å; A184-V190 WeakPolarHBondContact O-CA 3.17Å; F185-V190 HydrophobicContact CB-CG1 4.41Å; F185-V190 HydrophobicContact CD2-CG1 3.36Å; F185-V190 HydrophobicContact CE2-CG1 3.94Å; F185-V190 HydrophobicContact CG-CG1 4.21Å; V190-I207 HydrophobicContact CB-CD1 3.49Å; V190-I207 VanDerWaalsContact CB-CD1 3.49Å; V190-I207 HydrophobicContact CG1-CD1 3.64Å; V190-I207 HydrophobicContact CG2-CD1 3.54Å |
| 191 | F | 90.4 | Very high | 84.8 | Confident | 68 Ų | 68 | 48.4 Ų | 48.4 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 158.1 | 166.9 | 62.9 | -90.6 | 0 | 0 | 0 | 112.6 | F152 Q153 P183 A184 | F152-F191 CarbonylContact O-C 3.53Å; F152-F191 WeakPolarHBondContact O-CA 3.34Å; F152-F191 VanDerWaalsContact O-CB 3.3Å; F152-F191 WeakPolarHBondContact O-CB 3.38Å; Q153-F191 HydrophobicContact CB-CB 4.22Å; P183-F191 CarbonylContact C-O 3.53Å; P183-F191 VanDerWaalsContact CA-O 3.27Å; P183-F191 WeakPolarHBondContact CA-O 3.04Å; A184-F191 HydrophobicContact CB-CD1 3.87Å; A184-F191 HydrophobicContact CB-CD2 4Å; A184-F191 HydrophobicContact CB-CE1 3.37Å; A184-F191 HydrophobicContact CB-CE2 3.51Å; A184-F191 HydrophobicContact CB-CG 4.17Å; A184-F191 HydrophobicContact CB-CZ 3.18Å; A184-F191 PolarHBondContact N-O 2.74Å; A184-F191 PolarHBondContact O-N 3.06Å |
| 192 | L | 92.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 115.8 | 171.9 | 167.9 | 64.9 | 0 | 0 | 0 | 108.5 | R151 F152 W168 L175 F181 P183 I194 Y205 | R151-L192 WeakPolarHBondContact CA-O 3.23Å; F152-L192 HydrophobicContact CB-CB 4.32Å; F152-L192 HydrophobicContact CD2-CD2 4.21Å; F152-L192 PolarHBondContact N-O 3.49Å; F152-L192 PolarHBondContact O-N 3.39Å; W168-L192 HydrophobicContact CD2-CB 3.94Å; W168-L192 HydrophobicContact CD2-CD2 4.12Å; W168-L192 HydrophobicContact CE3-CB 3.9Å; W168-L192 HydrophobicContact CE3-CD2 3.6Å; W168-L192 HydrophobicContact CE3-CG 4.37Å; W168-L192 HydrophobicContact CH2-CB 3.54Å; W168-L192 HydrophobicContact CZ2-CB 3.58Å; W168-L192 HydrophobicContact CZ3-CB 3.69Å; W168-L192 HydrophobicContact CZ3-CD2 3.83Å; W168-L192 HydrophobicContact CZ3-CG 4.42Å; L175-L192 HydrophobicContact CD2-CD1 3.51Å; L175-L192 HydrophobicContact CD2-CD2 3.41Å; L175-L192 VanDerWaalsContact CD2-CD2 3.41Å; L175-L192 HydrophobicContact CD2-CG 4.11Å; F181-L192 HydrophobicContact CB-CD1 4.25Å; P183-L192 HydrophobicContact CB-CD1 4.13Å; L192-I194 HydrophobicContact CG-CG1 4.37Å; L192-Y205 HydrophobicContact CD2-CD1 3.61Å; L192-Y205 HydrophobicContact CD2-CE1 3.9Å |
| 193 | D | 90.1 | Very high | 85.2 | Confident | 28 Ų | 28 | 42.8 Ų | 42.8 | 15% | 0.15 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 125.3 | 170.9 | -67 | -26.4 | 0 | 0 | 0 | 110.8 | V150 R151 R180 F181 R182 | V150-D193 CarbonylContact O-C 3.45Å; V150-D193 WeakPolarHBondContact O-CA 3.45Å; R151-D193 WeakPolarHBondContact CB-OD1 3.25Å; R151-D193 WeakPolarHBondContact CG-OD1 3.46Å; R151-D193 IonicContact CZ-OD1 3.42Å; R151-D193 IonicContact CZ-OD2 3.94Å; R151-D193 IonicContact NE-OD1 2.67Å; R151-D193 PolarHBondContact NE-OD1 3.45Å; R151-D193 IonicContact NE-OD2 3.4Å; R151-D193 VanDerWaalsContact NH2-CG 3.34Å; R151-D193 IonicContact NH2-OD1 3.27Å; R151-D193 PolarHBondContact NH2-OD1 2.83Å; R151-D193 IonicContact NH2-OD2 3.76Å; R151-D193 PolarHBondContact NH2-OD2 3.15Å; R180-D193 VanDerWaalsContact O-O 3.12Å; F181-D193 CarbonylContact C-O 3.38Å; F181-D193 WeakPolarHBondContact CA-O 3.49Å; R182-D193 HydrophobicContact CB-CB 4.24Å; R182-D193 PolarHBondContact N-O 2.78Å; R182-D193 PolarHBondContact O-N 3.01Å |
| 194 | I | 91.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 103.8 | 167.2 | -50.6 | 176.1 | 0 | 0 | 0 | 106.3 | S149 V150 F152 R180 F181 L192 Y196 A197 Y205 L222 | S149-I194 CarbonylContact C-O 3.54Å; S149-I194 WeakPolarHBondContact CA-O 3.28Å; V150-I194 HydrophobicContact CB-CB 4.14Å; V150-I194 HydrophobicContact CB-CD1 4.33Å; V150-I194 HydrophobicContact CB-CG1 4.48Å; V150-I194 PolarHBondContact N-O 2.97Å; V150-I194 PolarHBondContact O-N 3.18Å; F152-I194 HydrophobicContact CD2-CD1 4.44Å; F152-I194 HydrophobicContact CE2-CD1 4.04Å; R180-I194 WeakPolarHBondContact O-CA 3.42Å; F181-I194 HydrophobicContact CD1-CD1 4.44Å; F181-I194 HydrophobicContact CD1-CG1 3.94Å; F181-I194 HydrophobicContact CD1-CG2 4.42Å; F181-I194 HydrophobicContact CE1-CD1 4.2Å; F181-I194 HydrophobicContact CE1-CG1 4.11Å; F181-I194 HydrophobicContact CE1-CG2 4.14Å; L192-I194 HydrophobicContact CG-CG1 4.37Å; I194-Y196 VanDerWaalsContact C-N 3.33Å; I194-Y196 PolarHBondContact O-N 3.2Å; I194-A197 HydrophobicContact CG2-CB 4.35Å; I194-Y205 HydrophobicContact CD1-CE1 3.81Å; I194-Y205 HydrophobicContact CD1-CE2 4.29Å; I194-Y205 WeakPolarHBondContact CD1-OH 3.42Å; I194-L222 HydrophobicContact CD1-CD2 3.69Å |
| 195 | L | 78.2 | Confident | 86 | Confident | 41 Ų | 41 | 41.2 Ų | 41.2 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -65.9 | -32.6 | -171.2 | -65.9 | -178.6 | 0 | 0 | 0 | 113.9 | S149 H179 R180 | S149-L195 WeakPolarHBondContact CA-O 3.34Å; S149-L195 WeakPolarHBondContact CB-O 3.33Å; S149-L195 PolarHBondContact OG-O 2.71Å; H179-L195 WeakPolarHBondContact O-CD1 3.26Å; R180-L195 PolarHBondContact O-N 2.78Å |
| 196 | Y | 83.6 | Confident | 86.5 | Confident | 84 Ų | 84 | 39.8 Ų | 39.8 | 33% | 0.329 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -144.1 | 111.5 | 176.3 | -46.4 | -76.2 | 0 | 0 | 0 | 108.2 | R180 I194 | R180-Y196 PolarHBondContact NH1-O 2.92Å; I194-Y196 VanDerWaalsContact C-N 3.33Å; I194-Y196 PolarHBondContact O-N 3.2Å |
| 197 | A | 84.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -89.8 | 127.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V144 E146 G147 Q148 V150 I194 D201 V224 | V144-A197 HydrophobicContact CG2-CB 3.82Å; E146-A197 CarbonylContact C-O 3.46Å; E146-A197 WeakPolarHBondContact CA-O 3.39Å; G147-A197 PolarHBondContact N-O 2.78Å; Q148-A197 WeakPolarHBondContact O-CB 3.42Å; Q148-A197 PolarHBondContact O-N 3.18Å; V150-A197 HydrophobicContact CG2-CB 3.71Å; I194-A197 HydrophobicContact CG2-CB 4.35Å; A197-D201 WeakPolarHBondContact CA-OD2 3.3Å; A197-V224 HydrophobicContact CB-CG1 4.41Å; A197-V224 HydrophobicContact CB-CG2 3.85Å | ||
| 198 | Y | 85.6 | Confident | 88.5 | Confident | 88 Ų | 88 | 33 Ų | 33 | 35% | 0.345 | 16% | 0.157 | S | C | . | . | trans | -107.3 | 160.4 | 176.5 | -63.9 | -72.9 | 0 | 0 | 0 | 110.7 | E146 E200 D201 V224 | E146-Y198 HydrophobicContact CG-CD1 4.47Å; Y198-E200 PolarHBondContact O-N 2.67Å; Y198-E200 VanDerWaalsContact O-N 3.09Å; Y198-D201 PolarHBondContact N-OD2 3.19Å; Y198-D201 WeakPolarHBondContact O-CA 3.38Å; Y198-D201 WeakPolarHBondContact O-CB 3.42Å; Y198-D201 PolarHBondContact O-N 3.22Å; Y198-V224 VanDerWaalsContact O-CG2 3.31Å; Y198-V224 WeakPolarHBondContact O-CG2 3.35Å | ||
| 199 | P | 81.5 | Confident | 89.1 | Confident | 33 Ų | 33 | 33 Ų | 33 | 21% | 0.214 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -50.4 | -35.9 | 175.3 | -29.4 | 36.9 | 0 | 0 | 0 | 113.7 | E146 D201 S202 | E146-P199 HydrophobicContact CG-CG 4.48Å; P199-D201 VanDerWaalsContact C-N 3.28Å; P199-D201 PolarHBondContact O-N 2.76Å; P199-S202 WeakPolarHBondContact O-CB 3.47Å; P199-S202 PolarHBondContact O-N 3.17Å; P199-S202 VanDerWaalsContact O-N 3.1Å; P199-S202 PolarHBondContact O-OG 2.6Å |
| 200 | E | 83.8 | Confident | 89.3 | Confident | 139 Ų | 139 | 32.3 Ų | 32.3 | 65% | 0.65 | 15% | 0.154 | S | C | * | . | G | 310 helix | trans | -67.2 | -20.3 | 175.2 | 59 | -176.3 | -143.3 | 0 | 0 | 115 | F170 Y198 | F170-E200 WeakPolarHBondContact CZ-O 3.25Å; Y198-E200 PolarHBondContact O-N 2.67Å; Y198-E200 VanDerWaalsContact O-N 3.09Å |
| 201 | D | 89.7 | Confident | 89 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.027 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -80.6 | -9.1 | 173.1 | -58.5 | -46.5 | 0 | 0 | 0 | 111.7 | F170 R180 F181 A197 Y198 P199 Y205 L222 | F170-D201 VanDerWaalsContact CE2-O 3.26Å; F170-D201 WeakPolarHBondContact CE2-O 3.41Å; R180-D201 IonicContact CZ-OD1 3.22Å; R180-D201 VanDerWaalsContact CZ-OD1 3.28Å; R180-D201 IonicContact CZ-OD2 2.67Å; R180-D201 IonicContact NH1-OD1 3.98Å; R180-D201 PolarHBondContact NH1-OD1 3.36Å; R180-D201 IonicContact NH1-OD2 3.51Å; R180-D201 PolarHBondContact NH1-OD2 3.27Å; R180-D201 IonicContact NH2-OD1 3.51Å; R180-D201 PolarHBondContact NH2-OD1 3.41Å; R180-D201 IonicContact NH2-OD2 3.57Å; F181-D201 WeakPolarHBondContact CZ-OD1 3.24Å; A197-D201 WeakPolarHBondContact CA-OD2 3.3Å; Y198-D201 PolarHBondContact N-OD2 3.19Å; Y198-D201 WeakPolarHBondContact O-CA 3.38Å; Y198-D201 WeakPolarHBondContact O-CB 3.42Å; Y198-D201 PolarHBondContact O-N 3.22Å; P199-D201 VanDerWaalsContact C-N 3.28Å; P199-D201 PolarHBondContact O-N 2.76Å; D201-Y205 WeakPolarHBondContact O-CE2 3.45Å; D201-Y205 PolarHBondContact O-OH 2.95Å; D201-L222 HydrophobicContact CB-CD2 4.25Å; D201-L222 WeakPolarHBondContact O-CD2 3.42Å |
| 202 | S | 91.2 | Very high | 88.4 | Confident | 38 Ų | 38 | 34.2 Ų | 34.2 | 27% | 0.266 | 16% | 0.164 | S | C | . | . | trans | -63.2 | 135.1 | 173 | -52.6 | 0 | 0 | 0 | 0 | 109.8 | P199 L222 V224 | P199-S202 WeakPolarHBondContact O-CB 3.47Å; P199-S202 PolarHBondContact O-N 3.17Å; P199-S202 VanDerWaalsContact O-N 3.1Å; P199-S202 PolarHBondContact O-OG 2.6Å; S202-L222 CarbonylContact C-O 3.5Å; S202-L222 VanDerWaalsContact CA-O 3.24Å; S202-L222 WeakPolarHBondContact CA-O 3.47Å; S202-L222 WeakPolarHBondContact CB-O 3.47Å; S202-V224 WeakPolarHBondContact OG-CB 3.2Å; S202-V224 PolarHBondContact OG-N 2.82Å | ||
| 203 | G | 90.9 | Very high | 87.8 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 5% | 0.052 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.5 | -176.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N171 Q221 L222 | N171-G203 WeakPolarHBondContact OD1-CA 3.4Å; G203-Q221 PolarHBondContact O-NE2 2.89Å; G203-L222 PolarHBondContact N-O 2.83Å; G203-L222 PolarHBondContact O-N 3.03Å |
| 204 | L | 93 | Very high | 87.5 | Confident | 40 Ų | 40 | 38.8 Ų | 38.8 | 21% | 0.209 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 113.4 | -179.1 | -170.5 | 70 | 0 | 0 | 0 | 109.1 | N171 E219 | N171-L204 PolarHBondContact N-O 2.81Å; N171-L204 PolarHBondContact OD1-N 2.78Å; L204-E219 HydrophobicContact CD1-CB 3.95Å; L204-E219 HydrophobicContact CG-CB 4.41Å |
| 205 | Y | 95.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 123.7 | 168.8 | -72.2 | -98 | 0 | 0 | 0 | 108.2 | F152 Y169 F170 L175 F181 L192 I194 D201 E219 A220 L222 | F152-Y205 HydrophobicContact CD2-CD1 4.4Å; F152-Y205 HydrophobicContact CD2-CG 4.18Å; F152-Y205 HydrophobicContact CE2-CD1 4.16Å; F152-Y205 AromaticContact CE2-CD2 3.63Å; F152-Y205 HydrophobicContact CE2-CD2 3.63Å; F152-Y205 HydrophobicContact CE2-CE2 4.08Å; F152-Y205 AromaticContact CE2-CG 3.68Å; F152-Y205 HydrophobicContact CE2-CG 3.68Å; F152-Y205 AromaticContact CZ-CD2 3.93Å; F152-Y205 HydrophobicContact CZ-CD2 3.93Å; F152-Y205 HydrophobicContact CZ-CG 4.25Å; Y169-Y205 WeakPolarHBondContact O-CA 3.21Å; F170-Y205 HydrophobicContact CB-CD1 4.42Å; F170-Y205 HydrophobicContact CB-CE1 4.18Å; F170-Y205 HydrophobicContact CD2-CD1 4.27Å; F170-Y205 HydrophobicContact CD2-CD2 4.08Å; F170-Y205 AromaticContact CD2-CE1 3.8Å; F170-Y205 HydrophobicContact CD2-CE1 3.8Å; F170-Y205 AromaticContact CD2-CE2 3.56Å; F170-Y205 HydrophobicContact CD2-CE2 3.56Å; F170-Y205 HydrophobicContact CD2-CG 4.4Å; F170-Y205 AromaticContact CD2-CZ 3.4Å; F170-Y205 VanDerWaalsContact CD2-CZ 3.4Å; F170-Y205 AromaticContact CE2-CE2 3.73Å; F170-Y205 HydrophobicContact CE2-CE2 3.73Å; F170-Y205 AromaticContact CE2-CZ 3.77Å; F170-Y205 HydrophobicContact CG-CE1 4.28Å; L175-Y205 HydrophobicContact CD1-CE1 4.24Å; F181-Y205 HydrophobicContact CE1-CE1 4.41Å; L192-Y205 HydrophobicContact CD2-CD1 3.61Å; L192-Y205 HydrophobicContact CD2-CE1 3.9Å; I194-Y205 HydrophobicContact CD1-CE1 3.81Å; I194-Y205 HydrophobicContact CD1-CE2 4.29Å; I194-Y205 WeakPolarHBondContact CD1-OH 3.42Å; D201-Y205 WeakPolarHBondContact O-CE2 3.45Å; D201-Y205 PolarHBondContact O-OH 2.95Å; Y205-E219 CarbonylContact O-C 3.42Å; Y205-E219 VanDerWaalsContact O-CA 3.29Å; Y205-E219 WeakPolarHBondContact O-CA 3.35Å; Y205-A220 PolarHBondContact N-O 2.86Å; Y205-A220 PolarHBondContact O-N 2.85Å; Y205-L222 HydrophobicContact CD2-CB 3.82Å; Y205-L222 HydrophobicContact CE2-CB 3.55Å; Y205-L222 HydrophobicContact CE2-CD2 3.69Å; Y205-L222 HydrophobicContact CE2-CG 4.26Å |
| 206 | S | 93.8 | Very high | 88 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 141.3 | 175 | 56.8 | 0 | 0 | 0 | 0 | 110.9 | W168 Y169 S218 | W168-S206 CarbonylContact C-O 3.58Å; W168-S206 WeakPolarHBondContact CA-O 3.48Å; Y169-S206 WeakPolarHBondContact CB-OG 3.36Å; Y169-S206 PolarHBondContact N-O 2.81Å; Y169-S206 PolarHBondContact O-N 3.29Å; S206-S218 CarbonylContact C-O 3.54Å; S206-S218 WeakPolarHBondContact CA-O 3.24Å |
| 207 | I | 94.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.9 | 173.9 | -171.4 | -179.6 | 0 | 0 | 0 | 108.2 | F135 L139 V166 E167 W168 V190 V217 S218 | F135-I207 HydrophobicContact CE1-CD1 4.36Å; F135-I207 HydrophobicContact CE1-CG2 3.77Å; F135-I207 HydrophobicContact CE2-CG2 4.13Å; F135-I207 HydrophobicContact CZ-CB 4.32Å; F135-I207 HydrophobicContact CZ-CD1 4.24Å; F135-I207 HydrophobicContact CZ-CG1 4.23Å; F135-I207 HydrophobicContact CZ-CG2 3.39Å; L139-I207 HydrophobicContact CD1-CB 4.23Å; L139-I207 HydrophobicContact CD1-CG2 3.62Å; L139-I207 HydrophobicContact CD2-CG2 4.17Å; L139-I207 HydrophobicContact CG-CG2 3.83Å; V166-I207 HydrophobicContact CG1-CD1 3.26Å; V166-I207 HydrophobicContact CG1-CG1 3.43Å; V166-I207 VanDerWaalsContact CG1-CG1 3.43Å; E167-I207 CarbonylContact O-C 3.47Å; E167-I207 WeakPolarHBondContact O-CA 3.48Å; W168-I207 HydrophobicContact CD2-CB 4.1Å; W168-I207 HydrophobicContact CD2-CD1 4.17Å; W168-I207 HydrophobicContact CD2-CG1 4.09Å; W168-I207 HydrophobicContact CE3-CB 4.07Å; W168-I207 HydrophobicContact CG-CG1 4.4Å; W168-I207 HydrophobicContact CH2-CB 4.4Å; W168-I207 HydrophobicContact CH2-CD1 4.22Å; W168-I207 HydrophobicContact CZ2-CB 4.41Å; W168-I207 HydrophobicContact CZ2-CD1 3.54Å; W168-I207 HydrophobicContact CZ2-CG1 4.3Å; W168-I207 HydrophobicContact CZ3-CB 4.23Å; V190-I207 HydrophobicContact CB-CD1 3.49Å; V190-I207 VanDerWaalsContact CB-CD1 3.49Å; V190-I207 HydrophobicContact CG1-CD1 3.64Å; V190-I207 HydrophobicContact CG2-CD1 3.54Å; I207-V217 VanDerWaalsContact O-CA 3.3Å; I207-V217 WeakPolarHBondContact O-CA 3.13Å; I207-S218 WeakPolarHBondContact CG2-O 3.24Å; I207-S218 PolarHBondContact N-O 2.85Å; I207-S218 PolarHBondContact O-N 3.02Å |
| 208 | V | 93 | Very high | 88.8 | Confident | 16 Ų | 16 | 42.9 Ų | 42.9 | 10% | 0.097 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 114.9 | -178.3 | -176.6 | 0 | 0 | 0 | 0 | 107.8 | V166 E167 Y169 E215 V217 | V166-V208 CarbonylContact C-O 3.51Å; V166-V208 WeakPolarHBondContact CA-O 3.23Å; E167-V208 PolarHBondContact N-O 3.13Å; E167-V208 PolarHBondContact O-N 3.26Å; Y169-V208 HydrophobicContact CD2-CB 4.49Å; Y169-V208 HydrophobicContact CD2-CG2 3.74Å; Y169-V208 HydrophobicContact CE2-CB 4.05Å; Y169-V208 HydrophobicContact CE2-CG2 3.6Å; V208-E215 HydrophobicContact CG1-CG 3.45Å; V208-E215 VanDerWaalsContact CG1-CG 3.45Å; V208-V217 HydrophobicContact CG1-CG2 4.37Å; V208-V217 HydrophobicContact CG2-CG1 4.31Å; V208-V217 HydrophobicContact CG2-CG2 4.08Å |
| 209 | A | 91.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | P133 F135 V156 L164 N165 V166 E215 C216 | P133-A209 HydrophobicContact CB-CB 4.41Å; P133-A209 WeakPolarHBondContact CG-O 3.45Å; F135-A209 HydrophobicContact CE2-CB 4.22Å; F135-A209 HydrophobicContact CZ-CB 4.09Å; V156-A209 HydrophobicContact CB-CB 4.39Å; V156-A209 HydrophobicContact CG2-CB 3.72Å; L164-A209 HydrophobicContact CD1-CB 4.13Å; N165-A209 CarbonylContact O-C 3.48Å; N165-A209 VanDerWaalsContact O-CA 3.29Å; N165-A209 WeakPolarHBondContact O-CA 3.47Å; V166-A209 HydrophobicContact CG2-CB 4.07Å; A209-E215 WeakPolarHBondContact O-CA 3.35Å; A209-C216 PolarHBondContact N-O 3.22Å; A209-C216 PolarHBondContact O-N 2.74Å |
| 210 | R | 89.9 | Confident | 89.9 | Confident | 85 Ų | 85 | 41.8 Ų | 41.8 | 32% | 0.321 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 137.1 | -175.2 | 67.3 | 179.7 | -163 | -116.4 | 0.5 | 111.2 | L164 N165 E167 E215 | L164-R210 WeakPolarHBondContact CA-O 3.19Å; N165-R210 HydrophobicContact CB-CG 3.99Å; N165-R210 PolarHBondContact N-O 2.82Å; N165-R210 PolarHBondContact ND2-NH1 3.42Å; N165-R210 PolarHBondContact ND2-NH2 3.2Å; N165-R210 PolarHBondContact O-N 2.78Å; E167-R210 IonicContact OE1-CZ 3.96Å; E167-R210 IonicContact OE1-NH1 3.14Å; E167-R210 PolarHBondContact OE1-NH1 3.18Å; E167-R210 IonicContact OE1-NH2 2.6Å; E167-R210 PolarHBondContact OE1-NH2 2.76Å; E167-R210 IonicContact OE2-NH1 3.38Å; E167-R210 PolarHBondContact OE2-NH1 3.24Å; E167-R210 VanDerWaalsContact OE2-NH1 3.07Å; R210-E215 HydrophobicContact CB-CB 4.42Å; R210-E215 HydrophobicContact CB-CG 4.37Å |
| 211 | N | 84 | Confident | 90.3 | Very high | 20 Ų | 20 | 38.8 Ų | 38.8 | 11% | 0.107 | 20% | 0.204 | C | C | . | . | trans | -130.9 | -168 | 165.4 | 75.2 | 11.8 | 0 | 0 | 0 | 109.6 | K131 P133 D161 L164 L213 G214 | K131-N211 PolarHBondContact O-ND2 2.8Å; P133-N211 VanDerWaalsContact CD-OD1 3.29Å; P133-N211 WeakPolarHBondContact CD-OD1 3.26Å; D161-N211 WeakPolarHBondContact OD2-CB 3.47Å; D161-N211 VanDerWaalsContact OD2-CG 3.29Å; D161-N211 PolarHBondContact OD2-ND2 3.08Å; L164-N211 HydrophobicContact CD1-CB 4.37Å; N211-L213 PolarHBondContact O-N 2.86Å; N211-L213 WeakPolarHBondContact OD1-CA 3.41Å; N211-L213 WeakPolarHBondContact OD1-CB 3.31Å; N211-L213 PolarHBondContact OD1-N 2.81Å; N211-G214 PolarHBondContact N-O 2.96Å; N211-G214 PolarHBondContact OD1-N 3.5Å | ||
| 212 | Q | 77.9 | Confident | 90.5 | Very high | 89 Ų | 89 | 38.6 Ų | 38.6 | 42% | 0.416 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -70.9 | -15.2 | -177.8 | -67.4 | -167.4 | -31.1 | 0 | 0 | 115 | K163 S540 | K163-Q212 HydrophobicContact CB-CG 4.43Å; K163-Q212 HydrophobicContact CD-CG 3.6Å; K163-Q212 VanDerWaalsContact CD-NE2 3.29Å; Q212-S540 PolarHBondContact NE2-OG 2.91Å |
| 213 | L | 81.1 | Confident | 90.5 | Very high | 96 Ų | 96 | 39.6 Ų | 39.6 | 50% | 0.503 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -104.7 | -16.3 | -173.2 | -64.4 | 165.5 | 0 | 0 | 0 | 112.9 | L130 A132 N211 | L130-L213 HydrophobicContact CB-CD1 3.9Å; L130-L213 HydrophobicContact CD2-CD1 4.47Å; L130-L213 WeakPolarHBondContact O-CD1 3.38Å; A132-L213 HydrophobicContact CB-CB 4.18Å; N211-L213 PolarHBondContact O-N 2.86Å; N211-L213 WeakPolarHBondContact OD1-CA 3.41Å; N211-L213 WeakPolarHBondContact OD1-CB 3.31Å; N211-L213 PolarHBondContact OD1-N 2.81Å |
| 214 | G | 83 | Confident | 90.4 | Very high | 29 Ų | 29 | 39.9 Ų | 39.9 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | trans | 173.6 | -173.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P133 N211 | P133-G214 VanDerWaalsContact CD-C 3.46Å; P133-G214 WeakPolarHBondContact CD-O 3.39Å; P133-G214 WeakPolarHBondContact CG-O 3.49Å; N211-G214 PolarHBondContact N-O 2.96Å; N211-G214 PolarHBondContact OD1-N 3.5Å | ||
| 215 | E | 88.9 | Confident | 89.6 | Confident | 124 Ų | 124 | 43.4 Ų | 43.4 | 58% | 0.579 | 22% | 0.221 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 140.3 | 175.8 | -179.6 | 176.8 | 107.2 | 0 | 0 | 107.8 | V208 A209 R210 | V208-E215 HydrophobicContact CG1-CG 3.45Å; V208-E215 VanDerWaalsContact CG1-CG 3.45Å; A209-E215 WeakPolarHBondContact O-CA 3.35Å; R210-E215 HydrophobicContact CB-CB 4.42Å; R210-E215 HydrophobicContact CB-CG 4.37Å |
| 216 | C | 91.7 | Very high | 88.1 | Confident | 19 Ų | 19 | 47 Ų | 47 | 13% | 0.128 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 147.1 | 165.4 | 63.8 | 0 | 0 | 0 | 0 | 109.8 | P133 H134 F135 A209 | P133-C216 WeakPolarHBondContact O-CB 3.23Å; P133-C216 PolarHBondContact O-SG 3.16Å; P133-C216 VanDerWaalsContact O-SG 3.35Å; H134-C216 VanDerWaalsContact CA-SG 3.54Å; F135-C216 HydrophobicContact CD2-CB 4.21Å; F135-C216 VanDerWaalsContact CD2-SG 3.52Å; F135-C216 HydrophobicContact CE2-CB 4.44Å; F135-C216 VanDerWaalsContact CE2-SG 3.52Å; A209-C216 PolarHBondContact N-O 3.22Å; A209-C216 PolarHBondContact O-N 2.74Å |
| 217 | V | 92.6 | Very high | 86.2 | Confident | 63 Ų | 63 | 49.4 Ų | 49.4 | 38% | 0.382 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 138.6 | 178.3 | -173.1 | 0 | 0 | 0 | 0 | 108.2 | I207 V208 E219 | I207-V217 VanDerWaalsContact O-CA 3.3Å; I207-V217 WeakPolarHBondContact O-CA 3.13Å; V208-V217 HydrophobicContact CG1-CG2 4.37Å; V208-V217 HydrophobicContact CG2-CG1 4.31Å; V208-V217 HydrophobicContact CG2-CG2 4.08Å; V217-E219 HydrophobicContact CG1-CG 3.84Å |
| 218 | S | 93.5 | Very high | 84 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 3% | 0.028 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.7 | 165.5 | -165.3 | 0 | 0 | 0 | 0 | 108.4 | N138 L139 S206 I207 | N138-S218 VanDerWaalsContact CA-OG 3.25Å; N138-S218 WeakPolarHBondContact CA-OG 3.23Å; N138-S218 VanDerWaalsContact CB-OG 3.25Å; N138-S218 WeakPolarHBondContact CB-OG 3.33Å; N138-S218 WeakPolarHBondContact OD1-CB 3.35Å; N138-S218 PolarHBondContact OD1-OG 3Å; L139-S218 PolarHBondContact N-OG 3.32Å; S206-S218 CarbonylContact C-O 3.54Å; S206-S218 WeakPolarHBondContact CA-O 3.24Å; I207-S218 WeakPolarHBondContact CG2-O 3.24Å; I207-S218 PolarHBondContact N-O 2.85Å; I207-S218 PolarHBondContact O-N 3.02Å |
| 219 | E | 95 | Very high | 81.3 | Confident | 99 Ų | 99 | 61.1 Ų | 61.1 | 46% | 0.463 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 142 | -176.2 | -50.1 | -167 | 132.7 | 0 | 0 | 110.1 | L204 Y205 V217 | L204-E219 HydrophobicContact CD1-CB 3.95Å; L204-E219 HydrophobicContact CG-CB 4.41Å; Y205-E219 CarbonylContact O-C 3.42Å; Y205-E219 VanDerWaalsContact O-CA 3.29Å; Y205-E219 WeakPolarHBondContact O-CA 3.35Å; V217-E219 HydrophobicContact CG1-CG 3.84Å |
| 220 | A | 93.3 | Very high | 78.7 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 136.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L139 T140 F152 Y205 | L139-A220 HydrophobicContact CB-CB 3.46Å; L139-A220 VanDerWaalsContact CB-CB 3.46Å; L139-A220 HydrophobicContact CD1-CB 4.36Å; T140-A220 WeakPolarHBondContact O-CB 3.48Å; F152-A220 HydrophobicContact CD1-CB 3.8Å; F152-A220 HydrophobicContact CE1-CB 3.56Å; F152-A220 HydrophobicContact CZ-CB 4.49Å; Y205-A220 PolarHBondContact N-O 2.86Å; Y205-A220 PolarHBondContact O-N 2.85Å |
| 221 | Q | 93.3 | Very high | 76 | Confident | 76 Ų | 76 | 66.2 Ų | 66.2 | 36% | 0.355 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 124.2 | 173.1 | -169.7 | 68.1 | 33.1 | 0 | 0 | 109.5 | N141 A142 G203 | N141-Q221 VanDerWaalsContact CA-O 3.28Å; N141-Q221 WeakPolarHBondContact CA-O 3.26Å; N141-Q221 PolarHBondContact OD1-N 3.15Å; A142-Q221 PolarHBondContact N-O 3.1Å; G203-Q221 PolarHBondContact O-NE2 2.89Å |
| 222 | L | 94.3 | Very high | 73.6 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 125.3 | 163.2 | -172.9 | 50.3 | 0 | 0 | 0 | 109.3 | A142 V144 V150 F152 I194 D201 S202 G203 Y205 V224 | A142-L222 HydrophobicContact CB-CD1 3.86Å; A142-L222 WeakPolarHBondContact O-CA 3.41Å; A142-L222 WeakPolarHBondContact O-CD1 3.43Å; V144-L222 HydrophobicContact CG2-CD1 4.09Å; V150-L222 HydrophobicContact CB-CD1 4.46Å; V150-L222 HydrophobicContact CG1-CD1 3.92Å; V150-L222 HydrophobicContact CG2-CD1 3.77Å; V150-L222 HydrophobicContact CG2-CD2 4.21Å; F152-L222 HydrophobicContact CE2-CB 4.36Å; F152-L222 HydrophobicContact CE2-CD2 4.37Å; F152-L222 HydrophobicContact CZ-CB 3.86Å; F152-L222 HydrophobicContact CZ-CD1 4.21Å; F152-L222 HydrophobicContact CZ-CG 4.42Å; I194-L222 HydrophobicContact CD1-CD2 3.69Å; D201-L222 HydrophobicContact CB-CD2 4.25Å; D201-L222 WeakPolarHBondContact O-CD2 3.42Å; S202-L222 CarbonylContact C-O 3.5Å; S202-L222 VanDerWaalsContact CA-O 3.24Å; S202-L222 WeakPolarHBondContact CA-O 3.47Å; S202-L222 WeakPolarHBondContact CB-O 3.47Å; G203-L222 PolarHBondContact N-O 2.83Å; G203-L222 PolarHBondContact O-N 3.03Å; Y205-L222 HydrophobicContact CD2-CB 3.82Å; Y205-L222 HydrophobicContact CE2-CB 3.55Å; Y205-L222 HydrophobicContact CE2-CD2 3.69Å; Y205-L222 HydrophobicContact CE2-CG 4.26Å; L222-V224 HydrophobicContact CD1-CG2 4.27Å; L222-V224 HydrophobicContact CD2-CG2 4.02Å; L222-V224 HydrophobicContact CG-CG2 3.83Å |
| 223 | T | 90.2 | Very high | 71.4 | Confident | 60 Ų | 60 | 73.4 Ų | 73.4 | 37% | 0.368 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 107.7 | 169.1 | -59.1 | 0 | 0 | 0 | 0 | 108.5 | A142 E143 V144 K225 | A142-T223 PolarHBondContact O-N 2.76Å; E143-T223 CarbonylContact C-O 3.57Å; E143-T223 VanDerWaalsContact CA-O 3.24Å; E143-T223 WeakPolarHBondContact CA-O 3.3Å; E143-T223 HydrophobicContact CG-CG2 4.15Å; V144-T223 PolarHBondContact N-O 3.37Å; T223-K225 PolarHBondContact O-N 3.35Å |
| 224 | V | 88.4 | Confident | 69.1 | Low | 10 Ų | 10 | 73 Ų | 73 | 6% | 0.061 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 105.6 | 175 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | V144 E146 A197 Y198 S202 L222 S226 | V144-V224 HydrophobicContact CG2-CG1 4.37Å; V144-V224 HydrophobicContact CG2-CG2 4.03Å; V144-V224 CarbonylContact O-C 3.51Å; V144-V224 VanDerWaalsContact O-CA 3.28Å; V144-V224 WeakPolarHBondContact O-CA 3.31Å; E146-V224 HydrophobicContact CB-CG1 4.09Å; A197-V224 HydrophobicContact CB-CG1 4.41Å; A197-V224 HydrophobicContact CB-CG2 3.85Å; Y198-V224 VanDerWaalsContact O-CG2 3.31Å; Y198-V224 WeakPolarHBondContact O-CG2 3.35Å; S202-V224 WeakPolarHBondContact OG-CB 3.2Å; S202-V224 PolarHBondContact OG-N 2.82Å; L222-V224 HydrophobicContact CD1-CG2 4.27Å; L222-V224 HydrophobicContact CD2-CG2 4.02Å; L222-V224 HydrophobicContact CG-CG2 3.83Å; V224-S226 PolarHBondContact O-N 2.66Å |
| 225 | K | 77.8 | Confident | 66.7 | Low | 114 Ų | 114 | 80.2 Ų | 80.2 | 50% | 0.496 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 102.8 | 170.5 | -74.3 | -178.4 | 172 | 142.3 | 0 | 108.5 | E143 V144 A145 E146 T223 K227 | E143-K225 HydrophobicContact CG-CD 4.16Å; E143-K225 HydrophobicContact CG-CG 4.04Å; E143-K225 WeakPolarHBondContact OE1-CE 3.39Å; E143-K225 IonicContact OE1-NZ 2.64Å; E143-K225 PolarHBondContact OE1-NZ 3.31Å; E143-K225 WeakPolarHBondContact OE2-CE 3.28Å; E143-K225 IonicContact OE2-NZ 2.75Å; E143-K225 PolarHBondContact OE2-NZ 3.01Å; V144-K225 PolarHBondContact O-N 3.29Å; A145-K225 CarbonylContact C-O 3.4Å; A145-K225 WeakPolarHBondContact CA-O 3.32Å; E146-K225 PolarHBondContact N-O 3.08Å; T223-K225 PolarHBondContact O-N 3.35Å; K225-K227 PolarHBondContact O-N 2.84Å |
| 226 | S | 63.9 | Low | 64.4 | Low | 75 Ų | 75 | 80 Ų | 80 | 52% | 0.524 | 41% | 0.41 | S | S | . | . | trans | -51.6 | 133 | 169.3 | 57.8 | 0 | 0 | 0 | 0 | 109.1 | V224 K228 | V224-S226 PolarHBondContact O-N 2.66Å; S226-K228 PolarHBondContact O-N 2.75Å; S226-K228 VanDerWaalsContact O-N 3.12Å | ||
| 227 | K | 53.1 | Low | 62.1 | Low | 58 Ų | 58 | 83.8 Ų | 83.8 | 25% | 0.252 | 43% | 0.434 | S | S | . | . | trans | -61.5 | 123.4 | 172.1 | -76 | -174.6 | 179.2 | -175.9 | 0 | 107.4 | K225 T229 V309 L310 | K225-K227 PolarHBondContact O-N 2.84Å; K227-T229 PolarHBondContact O-N 3.48Å; K227-V309 PolarHBondContact NZ-O 3.12Å; K227-L310 HydrophobicContact CD-CD2 3.35Å | ||
| 228 | K | 49 | Very low | 59.7 | Low | 196 Ų | 196 | 86 Ų | 86 | 85% | 0.852 | 44% | 0.444 | S | S | * | . | trans | -62.4 | 88.9 | 164.8 | -74.7 | -177.5 | 178.3 | 178.6 | 0 | 106.4 | S226 I230 | S226-K228 PolarHBondContact O-N 2.75Å; S226-K228 VanDerWaalsContact O-N 3.12Å; K228-I230 PolarHBondContact O-N 2.92Å | ||
| 229 | T | 36.3 | Very low | 57.4 | Low | 67 Ų | 67 | 94.6 Ų | 94.6 | 41% | 0.411 | 48% | 0.476 | S | S | . | . | trans | -57 | 126.6 | 175.2 | 42.2 | 0 | 0 | 0 | 0 | 108.5 | K227 Y231 | K227-T229 PolarHBondContact O-N 3.48Å; T229-Y231 PolarHBondContact O-N 2.96Å | ||
| 230 | I | 36.9 | Very low | 55.1 | Low | 71 Ų | 71 | 96.1 Ų | 96.1 | 36% | 0.364 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -70 | 66.1 | -176.4 | -54.4 | -161.3 | 0 | 0 | 0 | 110.7 | K228 P308 | K228-I230 PolarHBondContact O-N 2.92Å; I230-P308 HydrophobicContact CD1-CB 4.24Å; I230-P308 HydrophobicContact CD1-CG 3.33Å; I230-P308 HydrophobicContact CG1-CG 3.75Å |
| 231 | Y | 32.2 | Very low | 53 | Low | 121 Ų | 121 | 100.7 Ų | 100.7 | 48% | 0.475 | 51% | 0.511 | S | S | . | . | trans | -121.9 | 10.5 | 166.2 | -79.8 | -74.8 | 0 | 0 | 0 | 111.5 | T229 K1183 | T229-Y231 PolarHBondContact O-N 2.96Å; Y231-K1183 VanDerWaalsContact CB-CG 3.45Å; Y231-K1183 HydrophobicContact CD1-CG 4.4Å; Y231-K1183 HydrophobicContact CD2-CB 4.03Å; Y231-K1183 HydrophobicContact CG-CB 3.93Å; Y231-K1183 HydrophobicContact CG-CD 4.3Å; Y231-K1183 HydrophobicContact CG-CG 3.92Å; Y231-K1183 WeakPolarHBondContact O-CE 3.47Å; Y231-K1183 PolarHBondContact O-NZ 3.35Å | ||
| 232 | S | 34.6 | Very low | 50.9 | Low | 98 Ų | 98 | 105.4 Ų | 105.4 | 69% | 0.685 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -107.4 | 16 | 172.5 | 40.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 233 | E | 30.5 | Very low | 48.9 | Very low | 162 Ų | 162 | 109.6 Ų | 109.6 | 76% | 0.757 | 55% | 0.547 | S | S | * | . | trans | -111.2 | 77.9 | 167.8 | -74.5 | -179.2 | 168.1 | 0 | 0 | 109.6 | ||||
| 234 | S | 32.5 | Very low | 47 | Very low | 87 Ų | 87 | 113.3 Ų | 113.3 | 61% | 0.608 | 56% | 0.56 | S | S | * | * | trans | -163.3 | 95.3 | 169.7 | 164.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 235 | Q | 32.2 | Very low | 45.2 | Very low | 180 Ų | 180 | 119.3 Ų | 119.3 | 84% | 0.841 | 59% | 0.587 | S | S | * | * | trans | 94.9 | 72.9 | 139.8 | -56.1 | 179.1 | 47.2 | 0 | 0 | 120.5 | ||||
| 236 | H | 41.1 | Very low | 43.7 | Very low | 119 Ų | 119 | 120.8 Ų | 120.8 | 55% | 0.551 | 60% | 0.6 | S | S | * | * | trans | -133 | 117.6 | 142.9 | -156.9 | -76.8 | 0 | 0 | 0 | 111.9 | D238 R239 | H236-D238 IonicContact CE1-OD2 3.94Å; H236-D238 PolarHBondContact CE1-OD2 2.87Å; H236-D238 IonicContact ND1-OD2 3.17Å; H236-D238 PolarHBondContact O-N 2.94Å; H236-R239 PolarHBondContact O-N 2.81Å | ||
| 237 | P | 44.1 | Very low | 42.5 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 64% | 0.643 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -56.5 | -38.3 | -173.7 | -26.2 | 33.7 | 0 | 0 | 0 | 115.6 | R239 L240 | P237-R239 PolarHBondContact O-N 2.8Å; P237-L240 PolarHBondContact O-N 2.73Å |
| 238 | D | 41.9 | Very low | 41.6 | Very low | 110 Ų | 110 | 125.1 Ų | 125.1 | 59% | 0.588 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.9 | -11.4 | -174.5 | -63.3 | -20 | 0 | 0 | 0 | 115.4 | H236 | H236-D238 IonicContact CE1-OD2 3.94Å; H236-D238 PolarHBondContact CE1-OD2 2.87Å; H236-D238 IonicContact ND1-OD2 3.17Å; H236-D238 PolarHBondContact O-N 2.94Å |
| 239 | R | 44.2 | Very low | 40.9 | Very low | 185 Ų | 185 | 122 Ų | 122 | 70% | 0.698 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -88.1 | -24.8 | 178.9 | -78.4 | -169.4 | -179.2 | -135.3 | 4.7 | 112.8 | H236 P237 R242 I243 | H236-R239 PolarHBondContact O-N 2.81Å; P237-R239 PolarHBondContact O-N 2.8Å; R239-R242 PolarHBondContact O-N 3.04Å; R239-I243 WeakPolarHBondContact O-CD1 3.42Å; R239-I243 VanDerWaalsContact O-CG1 3.25Å; R239-I243 WeakPolarHBondContact O-CG1 3.29Å; R239-I243 PolarHBondContact O-N 3.06Å; R239-I243 VanDerWaalsContact O-N 3.11Å |
| 240 | L | 47 | Very low | 40.9 | Very low | 130 Ų | 130 | 126.4 Ų | 126.4 | 68% | 0.681 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.7 | -45.5 | 174.8 | -102.1 | 89.3 | 0 | 0 | 0 | 111.2 | P237 R242 I243 E244 | P237-L240 PolarHBondContact O-N 2.73Å; L240-R242 PolarHBondContact O-N 2.91Å; L240-I243 PolarHBondContact O-N 2.81Å; L240-E244 WeakPolarHBondContact O-CB 3.2Å; L240-E244 PolarHBondContact O-N 2.91Å |
| 241 | D | 49.2 | Very low | 40.9 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 51% | 0.513 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -63.3 | -28.4 | 177 | -78.5 | -9.6 | 0 | 0 | 0 | 112.8 | Q245 | D241-Q245 VanDerWaalsContact O-CB 3.3Å; D241-Q245 WeakPolarHBondContact O-CB 3.4Å; D241-Q245 VanDerWaalsContact O-CD 3.29Å; D241-Q245 WeakPolarHBondContact O-CG 3.16Å; D241-Q245 PolarHBondContact O-N 2.77Å; D241-Q245 VanDerWaalsContact O-N 3.15Å; D241-Q245 PolarHBondContact O-NE2 2.89Å |
| 242 | R | 50.7 | Low | 41.2 | Very low | 175 Ų | 175 | 127.7 Ų | 127.7 | 66% | 0.66 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -77.9 | -34 | 177.3 | -105.8 | 177.4 | 178.7 | 169.6 | 1.1 | 112.9 | R239 L240 L246 | R239-R242 PolarHBondContact O-N 3.04Å; L240-R242 PolarHBondContact O-N 2.91Å; R242-L246 WeakPolarHBondContact O-CB 3.5Å; R242-L246 VanDerWaalsContact O-CD1 3.28Å; R242-L246 WeakPolarHBondContact O-CD1 3.19Å; R242-L246 WeakPolarHBondContact O-CG 3.46Å; R242-L246 PolarHBondContact O-N 2.78Å; R242-L246 VanDerWaalsContact O-N 3.08Å |
| 243 | I | 51.6 | Low | 41.2 | Very low | 88 Ų | 88 | 128.3 Ų | 128.3 | 45% | 0.451 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -74.1 | -40.5 | 177.3 | -68.3 | 164.7 | 0 | 0 | 0 | 109.2 | R239 L240 Q245 L246 E247 | R239-I243 WeakPolarHBondContact O-CD1 3.42Å; R239-I243 VanDerWaalsContact O-CG1 3.25Å; R239-I243 WeakPolarHBondContact O-CG1 3.29Å; R239-I243 PolarHBondContact O-N 3.06Å; R239-I243 VanDerWaalsContact O-N 3.11Å; L240-I243 PolarHBondContact O-N 2.81Å; I243-Q245 VanDerWaalsContact C-N 3.28Å; I243-Q245 PolarHBondContact O-N 2.83Å; I243-L246 PolarHBondContact O-N 2.77Å; I243-L246 VanDerWaalsContact O-N 3.1Å; I243-E247 HydrophobicContact CG2-CG 4.36Å; I243-E247 WeakPolarHBondContact CG2-OE1 3.27Å; I243-E247 WeakPolarHBondContact O-CB 3.26Å; I243-E247 WeakPolarHBondContact O-CG 3.46Å; I243-E247 PolarHBondContact O-N 2.91Å |
| 244 | E | 49.3 | Very low | 41.5 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 65% | 0.65 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -65.2 | -29.4 | 173.7 | -141.9 | 176.8 | -162.5 | 0 | 0 | 112.7 | L240 | L240-E244 WeakPolarHBondContact O-CB 3.2Å; L240-E244 PolarHBondContact O-N 2.91Å |
| 245 | Q | 50.7 | Low | 41.6 | Very low | 136 Ų | 136 | 126.6 Ų | 126.6 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -81.8 | -19.4 | 173 | -75.4 | 170.6 | 26.2 | 0 | 0 | 114.4 | D241 I243 S248 | D241-Q245 VanDerWaalsContact O-CB 3.3Å; D241-Q245 WeakPolarHBondContact O-CB 3.4Å; D241-Q245 VanDerWaalsContact O-CD 3.29Å; D241-Q245 WeakPolarHBondContact O-CG 3.16Å; D241-Q245 PolarHBondContact O-N 2.77Å; D241-Q245 VanDerWaalsContact O-N 3.15Å; D241-Q245 PolarHBondContact O-NE2 2.89Å; I243-Q245 VanDerWaalsContact C-N 3.28Å; I243-Q245 PolarHBondContact O-N 2.83Å; Q245-S248 PolarHBondContact O-OG 2.77Å |
| 246 | L | 46.5 | Very low | 41.7 | Very low | 144 Ų | 144 | 127 Ų | 127 | 75% | 0.754 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -94.4 | -23.6 | 178 | -75.2 | 165.7 | 0 | 0 | 0 | 112.5 | R242 I243 S248 | R242-L246 WeakPolarHBondContact O-CB 3.5Å; R242-L246 VanDerWaalsContact O-CD1 3.28Å; R242-L246 WeakPolarHBondContact O-CD1 3.19Å; R242-L246 WeakPolarHBondContact O-CG 3.46Å; R242-L246 PolarHBondContact O-N 2.78Å; R242-L246 VanDerWaalsContact O-N 3.08Å; I243-L246 PolarHBondContact O-N 2.77Å; I243-L246 VanDerWaalsContact O-N 3.1Å; L246-S248 VanDerWaalsContact C-N 3.3Å |
| 247 | E | 38.9 | Very low | 41.1 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -80.1 | -11.5 | 173.2 | -72.5 | 175.7 | 173.9 | 0 | 0 | 112.9 | I243 | I243-E247 HydrophobicContact CG2-CG 4.36Å; I243-E247 WeakPolarHBondContact CG2-OE1 3.27Å; I243-E247 WeakPolarHBondContact O-CB 3.26Å; I243-E247 WeakPolarHBondContact O-CG 3.46Å; I243-E247 PolarHBondContact O-N 2.91Å |
| 248 | S | 33.5 | Very low | 40.7 | Very low | 66 Ų | 66 | 133.6 Ų | 133.6 | 46% | 0.462 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -101 | 128.9 | 166.1 | 74.8 | 0 | 0 | 0 | 0 | 110.1 | Q245 L246 | Q245-S248 PolarHBondContact O-OG 2.77Å; L246-S248 VanDerWaalsContact C-N 3.3Å |
| 249 | V | 34.9 | Very low | 40.1 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 79% | 0.794 | 72% | 0.716 | S | S | * | * | trans | 103.8 | 78.1 | 173.8 | -167.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 250 | I | 37.3 | Very low | 39.6 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 81% | 0.81 | 73% | 0.725 | S | S | * | * | trans | -75.2 | 138.1 | 149.9 | -56.1 | 162.8 | 0 | 0 | 0 | 107.6 | ||||
| 251 | P | 36.4 | Very low | 39.1 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 71% | 0.714 | 74% | 0.737 | S | S | * | * | -146.3 | 166.9 | 111.5 | 23.2 | 0.3 | 0 | 0 | 0 | 116.3 | |||||
| 252 | P | 39.1 | Very low | 38.7 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | trans | -112.3 | -174.2 | -145 | 41.8 | -33 | 0 | 0 | 0 | 116 | ||||
| 253 | S | 34.7 | Very low | 38.4 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 78% | 0.783 | 70% | 0.7 | S | S | * | * | trans | 98.4 | 141.6 | 155.4 | 71.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 254 | V | 35 | Very low | 38.6 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 88% | 0.879 | 71% | 0.714 | S | S | * | * | cis | -171.5 | 148.2 | -1.6 | 136.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 255 | G | 34.8 | Very low | 39.5 | Very low | 67 Ų | 67 | 129.9 Ų | 129.9 | 69% | 0.691 | 71% | 0.707 | S | S | * | * | trans | 101.5 | 134 | 146.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 256 | E | 35.4 | Very low | 41 | Very low | 190 Ų | 190 | 128.6 Ų | 128.6 | 89% | 0.888 | 70% | 0.702 | S | S | * | * | cis | -160.5 | 116.8 | 7.8 | -74 | 172 | 150.8 | 0 | 0 | 107.5 | ||||
| 257 | Q | 28.8 | Very low | 42.9 | Very low | 178 Ų | 178 | 121.9 Ų | 121.9 | 83% | 0.832 | 67% | 0.668 | S | S | * | * | 73.8 | 101.9 | 101.4 | -71.9 | -166.7 | -2.2 | 0 | 0 | 119.6 | |||||
| 258 | E | 34 | Very low | 45.3 | Very low | 178 Ų | 178 | 116.5 Ų | 116.5 | 83% | 0.832 | 65% | 0.65 | S | S | * | * | trans | -153.2 | 136.7 | 140.4 | -104.2 | 170.8 | -162 | 0 | 0 | 108.8 | ||||
| 259 | Q | 29.4 | Very low | 47.9 | Very low | 183 Ų | 183 | 114.8 Ų | 114.8 | 86% | 0.855 | 64% | 0.636 | S | S | * | * | trans | -101.3 | 106.9 | -153.1 | -70.1 | 173 | -8 | 0 | 0 | 114 | ||||
| 260 | E | 34.1 | Very low | 50.4 | Low | 189 Ų | 189 | 116.7 Ų | 116.7 | 88% | 0.883 | 63% | 0.628 | S | S | * | * | trans | -83.6 | 135.3 | 155.2 | -72.4 | -178.3 | 159.6 | 0 | 0 | 109.1 | G262 | E260-G262 PolarHBondContact O-N 2.77Š| ||
| 261 | Q | 37.8 | Very low | 52.8 | Low | 199 Ų | 199 | 111.3 Ų | 111.3 | 93% | 0.93 | 60% | 0.602 | S | S | * | * | trans | -69.1 | 77.7 | 179.9 | -78.5 | -178.3 | -14.1 | 0 | 0 | 110.9 | ||||
| 262 | G | 39.6 | Very low | 55.2 | Low | 30 Ų | 30 | 111.3 Ų | 111.3 | 31% | 0.309 | 59% | 0.592 | S | S | . | * | trans | -58.6 | 142.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | E260 T264 | E260-G262 PolarHBondContact O-N 2.77Å; G262-T264 PolarHBondContact O-N 2.83Å | ||
| 263 | S | 45.3 | Very low | 57.7 | Low | 14 Ų | 14 | 106.9 Ų | 106.9 | 10% | 0.098 | 56% | 0.562 | C | S | . | * | trans | -36.9 | 129.8 | 172.1 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | Q265 D295 N345 R347 | S263-Q265 PolarHBondContact OG-O 2.75Å; S263-D295 WeakPolarHBondContact CB-OD2 3.3Å; S263-D295 PolarHBondContact OG-OD2 3.07Å; S263-N345 PolarHBondContact OG-ND2 3.16Å; S263-N345 VanDerWaalsContact OG-ND2 3.09Å; S263-R347 WeakPolarHBondContact O-CG 3.42Å; S263-R347 PolarHBondContact O-NE 3.29Å; S263-R347 PolarHBondContact O-NH2 3.08Å | ||
| 264 | T | 54.9 | Low | 60.2 | Low | 120 Ų | 120 | 106.2 Ų | 106.2 | 74% | 0.736 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -87.4 | -9.2 | -177.3 | 49.8 | 0 | 0 | 0 | 0 | 113.3 | G262 | G262-T264 PolarHBondContact O-N 2.83Š|
| 265 | Q | 68.3 | Low | 62.8 | Low | 110 Ų | 110 | 103.6 Ų | 103.6 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -135.7 | 136.2 | -169.2 | -63 | -176 | 6.5 | 0 | 0 | 111.3 | S263 P292 N345 | S263-Q265 PolarHBondContact OG-O 2.75Å; Q265-P292 HydrophobicContact CB-CG 4.49Å; Q265-N345 PolarHBondContact O-ND2 2.87Å |
| 266 | M | 82 | Confident | 65.3 | Low | 108 Ų | 108 | 101 Ų | 101 | 53% | 0.532 | 49% | 0.494 | S | S | . | . | trans | -63.4 | 144.3 | 169.5 | -178.4 | -176.7 | 165.8 | 0 | 0 | 109.5 | A268 R347 E349 | M266-A268 PolarHBondContact O-N 2.87Å; M266-R347 HydrophobicContact CB-CB 4.4Å; M266-E349 WeakPolarHBondContact CE-O 3.36Å | ||
| 267 | P | 87.7 | Confident | 67.9 | Low | 4 Ų | 4 | 96 Ų | 96 | 3% | 0.026 | 48% | 0.476 | C | S | . | . | trans | -60.2 | 127.2 | -179.1 | 24 | -34.8 | 0 | 0 | 0 | 110 | V290 E291 M298 V343 N345 G348 V350 | P267-V290 HydrophobicContact CB-CG1 3.98Å; P267-E291 CarbonylContact C-O 3.32Å; P267-E291 VanDerWaalsContact CA-O 3.23Å; P267-E291 WeakPolarHBondContact CA-O 3.16Å; P267-M298 HydrophobicContact CB-CE 4.45Å; P267-M298 HydrophobicContact CB-SD 3.84Å; P267-V343 HydrophobicContact CB-CG1 4.28Å; P267-V343 WeakPolarHBondContact CG-O 2.92Å; P267-N345 VanDerWaalsContact CD-CG 3.49Å; P267-N345 WeakPolarHBondContact CD-OD1 3.37Å; P267-G348 WeakPolarHBondContact CD-O 3.23Å; P267-G348 WeakPolarHBondContact CG-O 3.23Å; P267-V350 HydrophobicContact CB-CG1 3.76Å; P267-V350 HydrophobicContact CG-CB 4.43Å; P267-V350 HydrophobicContact CG-CG1 3.98Å; P267-V350 WeakPolarHBondContact O-CB 3.4Å; P267-V350 WeakPolarHBondContact O-CG1 3.46Å | ||
| 268 | A | 88.2 | Confident | 70.7 | Confident | 46 Ų | 46 | 88.4 Ų | 88.4 | 38% | 0.38 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 121.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | M266 R270 V290 E291 | M266-A268 PolarHBondContact O-N 2.87Å; A268-R270 PolarHBondContact O-N 2.84Å; A268-V290 WeakPolarHBondContact O-CA 3.23Å; A268-E291 PolarHBondContact N-O 2.74Å; A268-E291 PolarHBondContact O-N 3.05Å |
| 269 | L | 89.2 | Confident | 72.9 | Confident | 29 Ų | 29 | 83.4 Ų | 83.4 | 15% | 0.152 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 120.7 | 173 | -65.1 | 179.7 | 0 | 0 | 0 | 110.1 | N271 L288 V290 V343 V350 S351 | L269-N271 VanDerWaalsContact C-N 3.33Å; L269-L288 HydrophobicContact CD1-CD2 4.32Å; L269-L288 HydrophobicContact CD2-CB 4.45Å; L269-L288 HydrophobicContact CD2-CD2 4.23Å; L269-V290 HydrophobicContact CD2-CG2 4.01Å; L269-V343 HydrophobicContact CD2-CG2 4.48Å; L269-V350 HydrophobicContact CB-CG2 4.39Å; L269-V350 HydrophobicContact CD1-CG1 4.33Å; L269-V350 HydrophobicContact CD1-CG2 3.71Å; L269-V350 HydrophobicContact CD2-CG1 3.93Å; L269-V350 HydrophobicContact CG-CB 4.28Å; L269-V350 HydrophobicContact CG-CG1 3.68Å; L269-V350 HydrophobicContact CG-CG2 3.6Å; L269-S351 WeakPolarHBondContact CD1-O 3.3Å |
| 270 | R | 86.1 | Confident | 75.4 | Confident | 171 Ų | 171 | 79.3 Ų | 79.3 | 65% | 0.645 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -77.7 | -20.1 | 174 | -71.7 | -69.2 | -168.5 | -176.2 | -3.7 | 112.3 | A268 R289 E291 | A268-R270 PolarHBondContact O-N 2.84Å; R270-R289 HydrophobicContact CB-CB 3.85Å; R270-R289 HydrophobicContact CG-CB 4.46Å; R270-R289 PolarHBondContact N-O 2.94Å; R270-E291 HydrophobicContact CG-CG 4.41Å; R270-E291 IonicContact CZ-OE1 3.2Å; R270-E291 VanDerWaalsContact CZ-OE1 3.26Å; R270-E291 IonicContact CZ-OE2 3.9Å; R270-E291 VanDerWaalsContact CZ-OE2 3.31Å; R270-E291 IonicContact NE-OE1 3.83Å; R270-E291 PolarHBondContact NE-OE1 3.14Å; R270-E291 IonicContact NE-OE2 3.6Å; R270-E291 PolarHBondContact NE-OE2 3.45Å; R270-E291 IonicContact NH2-OE1 3.16Å; R270-E291 PolarHBondContact NH2-OE1 3.42Å; R270-E291 IonicContact NH2-OE2 3.81Å; R270-E291 PolarHBondContact NH2-OE2 3.07Å |
| 271 | N | 87.2 | Confident | 77.3 | Confident | 46 Ų | 46 | 72.1 Ų | 72.1 | 25% | 0.246 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -146 | 164.2 | 175.4 | 64.1 | -34.4 | 0 | 0 | 0 | 111.1 | L269 D287 L288 R289 | L269-N271 VanDerWaalsContact C-N 3.33Å; N271-D287 PolarHBondContact ND2-O 3.19Å; N271-L288 WeakPolarHBondContact OD1-CA 3.45Å; N271-R289 PolarHBondContact OD1-N 3.01Å |
| 272 | Q | 87.9 | Confident | 79.4 | Confident | 110 Ų | 110 | 62.9 Ų | 62.9 | 51% | 0.514 | 33% | 0.333 | S | S | . | . | trans | -117.3 | 150 | -179 | -65 | -74.8 | -14.4 | 0 | 0 | 110 | S352 | Q272-S352 WeakPolarHBondContact CA-OG 3.32Å; Q272-S352 PolarHBondContact OE1-OG 2.9Å | ||
| 273 | L | 92.1 | Very high | 81.7 | Confident | 16 Ų | 16 | 64.4 Ų | 64.4 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | trans | -62.8 | 154.9 | 169.5 | -60 | -178.2 | 0 | 0 | 0 | 110.8 | L286 L288 W302 V341 S352 C354 | L273-L286 HydrophobicContact CD2-CB 4.06Å; L273-L286 HydrophobicContact CD2-CD2 4.29Å; L273-L288 HydrophobicContact CD2-CD1 3.97Å; L273-L288 HydrophobicContact CD2-CD2 3.89Å; L273-L288 HydrophobicContact CD2-CG 3.76Å; L273-L288 HydrophobicContact CG-CD2 3.9Å; L273-L288 HydrophobicContact CG-CG 4.31Å; L273-W302 HydrophobicContact CD1-CH2 4.33Å; L273-W302 HydrophobicContact CD1-CZ3 3.78Å; L273-W302 HydrophobicContact CD2-CH2 4.04Å; L273-W302 HydrophobicContact CD2-CZ3 4.27Å; L273-V341 HydrophobicContact CD1-CB 4.47Å; L273-V341 HydrophobicContact CD1-CG1 4.06Å; L273-V341 HydrophobicContact CG-CG1 4.42Å; L273-S352 PolarHBondContact N-OG 2.94Å; L273-C354 HydrophobicContact CB-CB 3.61Å | ||
| 274 | R | 85.9 | Confident | 83.8 | Confident | 98 Ų | 98 | 63.8 Ų | 63.8 | 37% | 0.37 | 33% | 0.329 | S | S | . | . | trans | -132.6 | 144.1 | -179.1 | -55.4 | -167.2 | -162.3 | 163.3 | 2.5 | 111.6 | C354 E823 Y825 P830 | R274-C354 VanDerWaalsContact O-CB 3.28Å; R274-C354 WeakPolarHBondContact O-CB 3.17Å; R274-E823 IonicContact NH2-OE2 3.95Å; R274-Y825 PolarHBondContact NH1-OH 3.05Å; R274-Y825 PolarHBondContact NH2-OH 2.9Å; R274-P830 HydrophobicContact CB-CG 4.49Å; R274-P830 HydrophobicContact CG-CG 4.18Å | ||
| 275 | D | 90.5 | Very high | 85.6 | Confident | 90 Ų | 90 | 58.4 Ų | 58.4 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | trans | -61.1 | 147.4 | 179.1 | -70 | 7.9 | 0 | 0 | 0 | 111.8 | C354 N355 | D275-C354 WeakPolarHBondContact OD1-CA 3.38Å; D275-N355 CarbonylContact C-O 3.36Å; D275-N355 WeakPolarHBondContact CA-O 3.31Å; D275-N355 PolarHBondContact OD1-N 3.44Å; D275-N355 PolarHBondContact OD2-ND2 3.11Å | ||
| 276 | M | 87 | Confident | 86.7 | Confident | 12 Ų | 12 | 53.4 Ų | 53.4 | 6% | 0.059 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 150.5 | -175.4 | -61.2 | -172.2 | 83.9 | 0 | 0 | 112.7 | L278 L284 N355 V356 K357 T829 K832 | M276-L278 HydrophobicContact CE-CD1 4.12Å; M276-L278 HydrophobicContact CE-CD2 3.93Å; M276-L278 HydrophobicContact CE-CG 4.25Å; M276-L278 HydrophobicContact SD-CD1 4.31Å; M276-L284 HydrophobicContact SD-CD1 3.72Å; M276-N355 PolarHBondContact N-O 2.76Å; M276-V356 HydrophobicContact CB-CG2 4.46Å; M276-V356 CarbonylContact O-C 3.44Å; M276-V356 WeakPolarHBondContact O-CA 3.43Å; M276-K357 PolarHBondContact O-N 3.49Å; M276-T829 HydrophobicContact CG-CG2 4.42Å; M276-K832 HydrophobicContact CE-CD 3.48Å; M276-K832 VanDerWaalsContact CE-CD 3.48Å; M276-K832 VanDerWaalsContact CE-CE 3.49Å; M276-K832 HydrophobicContact CE-CG 4.43Å; M276-K832 HydrophobicContact SD-CD 3.7Å; M276-K832 WeakPolarHBondContact SD-CE 3.35Å; M276-K832 PolarHBondContact SD-NZ 3.32Å |
| 277 | V | 88.9 | Confident | 87.2 | Confident | 85 Ų | 85 | 50.2 Ų | 50.2 | 52% | 0.515 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 120.1 | 167.3 | -173.1 | 0 | 0 | 0 | 0 | 107.8 | K357 E359 | V277-K357 CarbonylContact C-O 3.54Å; V277-K357 VanDerWaalsContact CA-O 3.32Å; V277-K357 WeakPolarHBondContact CA-O 3.49Å; V277-K357 HydrophobicContact CG1-CB 4.35Å; V277-K357 HydrophobicContact CG1-CD 4.37Å; V277-K357 HydrophobicContact CG2-CB 4.19Å; V277-K357 HydrophobicContact CG2-CD 4.46Å; V277-E359 HydrophobicContact CG1-CG 3.84Å |
| 278 | L | 87.5 | Confident | 87.4 | Confident | 19 Ų | 19 | 50 Ų | 50 | 10% | 0.099 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 157.1 | -177.7 | -64 | 174.2 | 0 | 0 | 0 | 109.5 | M276 A282 L284 L331 V356 K357 I358 E359 | M276-L278 HydrophobicContact CE-CD1 4.12Å; M276-L278 HydrophobicContact CE-CD2 3.93Å; M276-L278 HydrophobicContact CE-CG 4.25Å; M276-L278 HydrophobicContact SD-CD1 4.31Å; L278-A282 HydrophobicContact CB-CB 4.39Å; L278-L284 HydrophobicContact CD1-CB 4.2Å; L278-L284 HydrophobicContact CD1-CD1 3.55Å; L278-L331 HydrophobicContact CB-CD1 3.87Å; L278-L331 HydrophobicContact CD1-CD1 3.42Å; L278-L331 VanDerWaalsContact CD1-CD1 3.42Å; L278-L331 HydrophobicContact CG-CD1 4.26Å; L278-V356 HydrophobicContact CD1-CG1 4.31Å; L278-K357 PolarHBondContact N-O 2.82Å; L278-I358 CarbonylContact O-C 3.47Å; L278-I358 VanDerWaalsContact O-CA 3.27Å; L278-I358 WeakPolarHBondContact O-CA 3.19Å; L278-E359 PolarHBondContact O-N 2.67Å |
| 279 | Q | 81.3 | Confident | 87.5 | Confident | 73 Ų | 73 | 53.7 Ų | 53.7 | 34% | 0.341 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 152 | 173.2 | -62.9 | -64.8 | -42.6 | 0 | 0 | 109.7 | G281 A282 E359 T856 | Q279-G281 PolarHBondContact O-N 2.98Å; Q279-A282 VanDerWaalsContact O-CB 3.31Å; Q279-A282 WeakPolarHBondContact O-CB 3.44Å; Q279-A282 PolarHBondContact O-N 3.25Å; Q279-A282 VanDerWaalsContact O-N 3.13Å; Q279-E359 PolarHBondContact NE2-OE2 3.07Å; Q279-E359 PolarHBondContact OE1-O 2.69Å; Q279-T856 HydrophobicContact CB-CG2 4.27Å |
| 280 | E | 81.9 | Confident | 87.6 | Confident | 96 Ų | 96 | 52.4 Ų | 52.4 | 45% | 0.449 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 130 | 170.4 | -161.7 | 165.7 | -163.4 | 0 | 0 | 110.2 | A333 I358 E359 S360 | E280-A333 PolarHBondContact OE1-N 3.29Å; E280-I358 HydrophobicContact CB-CG2 4.12Å; E280-E359 PolarHBondContact N-O 3.18Å; E280-S360 WeakPolarHBondContact OE2-CB 3.42Å |
| 281 | G | 74.7 | Confident | 87.5 | Confident | 38 Ų | 38 | 46.5 Ų | 46.5 | 39% | 0.392 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.7 | -11.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q279 L331 | Q279-G281 PolarHBondContact O-N 2.98Å; G281-L331 PolarHBondContact N-O 3.43Å |
| 282 | A | 81 | Confident | 87.5 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | trans | -69.9 | 176.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L278 Q279 Q330 L331 T856 | L278-A282 HydrophobicContact CB-CB 4.39Å; Q279-A282 VanDerWaalsContact O-CB 3.31Å; Q279-A282 WeakPolarHBondContact O-CB 3.44Å; Q279-A282 PolarHBondContact O-N 3.25Å; Q279-A282 VanDerWaalsContact O-N 3.13Å; A282-Q330 PolarHBondContact O-N 3.18Å; A282-L331 HydrophobicContact CB-CD1 4.17Å; A282-L331 WeakPolarHBondContact O-CB 3.07Å; A282-L331 VanDerWaalsContact O-CG 3.23Å; A282-L331 WeakPolarHBondContact O-CG 3.47Å; A282-L331 PolarHBondContact O-N 2.88Å; A282-T856 HydrophobicContact CB-CG2 4.13Å | ||
| 283 | N | 87.2 | Confident | 87.2 | Confident | 62 Ų | 62 | 46.6 Ų | 46.6 | 33% | 0.332 | 23% | 0.233 | S | C | . | . | trans | -112.1 | 145.9 | 173.6 | -62.3 | -30.1 | 0 | 0 | 0 | 110.7 | V328 K329 Q330 | N283-V328 CarbonylContact C-O 3.47Å; N283-V328 WeakPolarHBondContact CA-O 3.28Å; N283-K329 WeakPolarHBondContact OD1-CA 3.18Å; N283-Q330 PolarHBondContact OD1-N 3.49Å | ||
| 284 | L | 89.5 | Confident | 86 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 114.1 | -178.5 | 177.4 | 81.1 | 0 | 0 | 0 | 111.3 | M276 L278 L286 D327 V328 L331 Y339 V356 | M276-L284 HydrophobicContact SD-CD1 3.72Å; L278-L284 HydrophobicContact CD1-CB 4.2Å; L278-L284 HydrophobicContact CD1-CD1 3.55Å; L284-L286 HydrophobicContact CD1-CG 4.43Å; L284-L286 HydrophobicContact CD2-CD1 4.2Å; L284-L286 HydrophobicContact CD2-CG 4.48Å; L284-L286 HydrophobicContact CG-CG 4.28Å; L284-D327 CarbonylContact O-C 3.5Å; L284-D327 VanDerWaalsContact O-CA 3.29Å; L284-D327 WeakPolarHBondContact O-CA 3.36Å; L284-V328 HydrophobicContact CB-CB 4.1Å; L284-V328 HydrophobicContact CB-CG2 4.45Å; L284-V328 HydrophobicContact CD2-CB 4.38Å; L284-V328 HydrophobicContact CD2-CG2 3.94Å; L284-V328 PolarHBondContact N-O 3.45Å; L284-V328 PolarHBondContact O-N 2.85Å; L284-L331 HydrophobicContact CB-CD1 3.99Å; L284-L331 HydrophobicContact CB-CD2 3.83Å; L284-L331 HydrophobicContact CB-CG 4.25Å; L284-L331 HydrophobicContact CD2-CD2 4.34Å; L284-Y339 HydrophobicContact CD2-CD2 4.41Å; L284-Y339 HydrophobicContact CD2-CE1 3.99Å; L284-Y339 HydrophobicContact CD2-CE2 3.66Å; L284-Y339 VanDerWaalsContact CD2-CZ 3.41Å; L284-Y339 WeakPolarHBondContact CD2-OH 3.45Å; L284-V356 HydrophobicContact CD1-CB 4.49Å; L284-V356 HydrophobicContact CD1-CG1 3.88Å; L284-V356 HydrophobicContact CD1-CG2 3.74Å; L284-V356 HydrophobicContact CD2-CG1 4.41Å; L284-V356 HydrophobicContact CD2-CG2 4.29Å |
| 285 | H | 92.5 | Very high | 85.5 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 3% | 0.032 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 103.5 | 169.9 | 175.4 | 91.6 | 0 | 0 | 0 | 112.9 | D287 Y323 L326 D327 K832 Q833 | H285-D287 IonicContact CD2-OD1 2.69Å; H285-Y323 PolarHBondContact CE1-OH 2.8Å; H285-Y323 PolarHBondContact NE2-OH 2.87Å; H285-Y323 VanDerWaalsContact NE2-OH 3.14Å; H285-L326 CarbonylContact C-O 3.57Å; H285-L326 VanDerWaalsContact CA-O 3.26Å; H285-L326 WeakPolarHBondContact CA-O 3.27Å; H285-D327 WeakPolarHBondContact CB-OD1 3.37Å; H285-D327 IonicContact CE1-OD1 3.85Å; H285-D327 IonicContact CE1-OD2 3.86Å; H285-D327 IonicContact CG-OD1 3.97Å; H285-D327 VanDerWaalsContact CG-OD1 3.3Å; H285-D327 VanDerWaalsContact ND1-CG 3.27Å; H285-D327 IonicContact ND1-OD1 2.78Å; H285-D327 PolarHBondContact ND1-OD1 2.84Å; H285-D327 IonicContact ND1-OD2 3.38Å; H285-D327 PolarHBondContact ND1-OD2 3.13Å; H285-K832 VanDerWaalsContact C-CE 3.48Å; H285-K832 HydrophobicContact CB-CB 3.55Å; H285-K832 HydrophobicContact CB-CD 4.12Å; H285-K832 HydrophobicContact CB-CG 3.91Å; H285-K832 WeakPolarHBondContact O-CD 3.26Å; H285-K832 WeakPolarHBondContact O-CE 3.42Å; H285-K832 WeakPolarHBondContact O-CG 3.38Å; H285-K832 PolarHBondContact O-NZ 2.88Å; H285-Q833 PolarHBondContact CD2-N 3.3Å; H285-Q833 PolarHBondContact CE1-O 2.89Å; H285-Q833 PolarHBondContact ND1-O 3.44Å |
| 286 | L | 92 | Very high | 84.5 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 131.8 | 174.8 | -65.4 | 166.6 | 0 | 0 | 0 | 109.7 | L273 L284 W302 A325 L326 Y339 C354 | L273-L286 HydrophobicContact CD2-CB 4.06Å; L273-L286 HydrophobicContact CD2-CD2 4.29Å; L284-L286 HydrophobicContact CD1-CG 4.43Å; L284-L286 HydrophobicContact CD2-CD1 4.2Å; L284-L286 HydrophobicContact CD2-CG 4.48Å; L284-L286 HydrophobicContact CG-CG 4.28Å; L286-W302 HydrophobicContact CB-CH2 3.44Å; L286-W302 VanDerWaalsContact CB-CH2 3.44Å; L286-W302 HydrophobicContact CB-CZ2 4.49Å; L286-W302 HydrophobicContact CB-CZ3 3.56Å; L286-W302 HydrophobicContact CD1-CE3 4.49Å; L286-W302 HydrophobicContact CD1-CZ3 3.83Å; L286-W302 HydrophobicContact CG-CZ3 4.32Å; L286-A325 CarbonylContact O-C 3.53Å; L286-A325 WeakPolarHBondContact O-CA 3.03Å; L286-L326 HydrophobicContact CB-CB 4.4Å; L286-L326 HydrophobicContact CD1-CD2 4.31Å; L286-L326 PolarHBondContact N-O 3.5Å; L286-L326 PolarHBondContact O-N 2.76Å; L286-Y339 HydrophobicContact CD1-CD1 3.55Å; L286-Y339 HydrophobicContact CD1-CD2 4.07Å; L286-Y339 HydrophobicContact CD1-CE1 4.24Å; L286-Y339 HydrophobicContact CD1-CG 3.44Å; L286-Y339 VanDerWaalsContact CD1-CG 3.44Å; L286-C354 VanDerWaalsContact CD2-SG 3.52Å |
| 287 | D | 93.1 | Very high | 84 | Confident | 42 Ų | 42 | 52.7 Ų | 52.7 | 23% | 0.225 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 147.7 | -178.2 | 76.5 | -65.2 | 0 | 0 | 0 | 114.9 | N271 H285 Y323 V324 A325 | N271-D287 PolarHBondContact ND2-O 3.19Å; H285-D287 IonicContact CD2-OD1 2.69Å; D287-Y323 HydrophobicContact CB-CE2 3.9Å; D287-V324 CarbonylContact C-O 3.5Å; D287-V324 VanDerWaalsContact CA-O 3.25Å; D287-V324 WeakPolarHBondContact CA-O 3.16Å; D287-A325 HydrophobicContact CB-CB 4.03Å |
| 288 | L | 91.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 165.1 | 174.8 | -37.3 | 102.1 | 0 | 0 | 0 | 112.8 | L269 N271 L273 W302 V324 V341 S352 | L269-L288 HydrophobicContact CD1-CD2 4.32Å; L269-L288 HydrophobicContact CD2-CB 4.45Å; L269-L288 HydrophobicContact CD2-CD2 4.23Å; N271-L288 WeakPolarHBondContact OD1-CA 3.45Å; L273-L288 HydrophobicContact CD2-CD1 3.97Å; L273-L288 HydrophobicContact CD2-CD2 3.89Å; L273-L288 HydrophobicContact CD2-CG 3.76Å; L273-L288 HydrophobicContact CG-CD2 3.9Å; L273-L288 HydrophobicContact CG-CG 4.31Å; L288-W302 HydrophobicContact CD1-CH2 3.78Å; L288-W302 HydrophobicContact CD1-CZ2 3.95Å; L288-V324 HydrophobicContact CD1-CB 4.23Å; L288-V324 HydrophobicContact CD1-CG1 3.9Å; L288-V324 PolarHBondContact N-O 2.82Å; L288-V324 PolarHBondContact O-N 2.86Å; L288-V341 HydrophobicContact CD1-CB 3.92Å; L288-V341 HydrophobicContact CD1-CG1 3.33Å; L288-V341 HydrophobicContact CD1-CG2 3.83Å; L288-V341 HydrophobicContact CD2-CG1 3.77Å; L288-V341 HydrophobicContact CG-CG1 4.16Å; L288-S352 VanDerWaalsContact CD2-CB 3.49Å |
| 289 | R | 91.3 | Very high | 83.6 | Confident | 122 Ų | 122 | 50.8 Ų | 50.8 | 46% | 0.46 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.1 | 174 | -67.4 | -66.8 | 179.3 | 173.1 | -6 | 109.8 | R270 N271 G322 | R270-R289 HydrophobicContact CB-CB 3.85Å; R270-R289 HydrophobicContact CG-CB 4.46Å; R270-R289 PolarHBondContact N-O 2.94Å; N271-R289 PolarHBondContact OD1-N 3.01Å; R289-G322 CarbonylContact C-O 3.58Å; R289-G322 VanDerWaalsContact CA-O 3.26Å; R289-G322 WeakPolarHBondContact CA-O 3.39Å |
| 290 | V | 90.4 | Very high | 84 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 138.4 | -176.1 | -170.8 | 0 | 0 | 0 | 0 | 109.4 | P267 A268 L269 M298 G322 V324 V343 | P267-V290 HydrophobicContact CB-CG1 3.98Å; A268-V290 WeakPolarHBondContact O-CA 3.23Å; L269-V290 HydrophobicContact CD2-CG2 4.01Å; V290-M298 HydrophobicContact CG1-CE 3.74Å; V290-M298 HydrophobicContact CG1-SD 3.97Å; V290-G322 PolarHBondContact N-O 2.78Å; V290-G322 WeakPolarHBondContact O-CA 3.42Å; V290-V324 HydrophobicContact CG2-CG2 3.66Å; V290-V343 HydrophobicContact CB-CG1 4.48Å; V290-V343 HydrophobicContact CG1-CG1 3.75Å; V290-V343 HydrophobicContact CG2-CB 4.45Å; V290-V343 HydrophobicContact CG2-CG1 4.03Å; V290-V343 HydrophobicContact CG2-CG2 3.99Å |
| 291 | E | 84.7 | Confident | 84.2 | Confident | 47 Ų | 47 | 46.9 Ų | 46.9 | 22% | 0.22 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 147.7 | 164.8 | -76.4 | -176.8 | -169.8 | 0 | 0 | 111.3 | P267 A268 R270 K293 | P267-E291 CarbonylContact C-O 3.32Å; P267-E291 VanDerWaalsContact CA-O 3.23Å; P267-E291 WeakPolarHBondContact CA-O 3.16Å; A268-E291 PolarHBondContact N-O 2.74Å; A268-E291 PolarHBondContact O-N 3.05Å; R270-E291 HydrophobicContact CG-CG 4.41Å; R270-E291 IonicContact CZ-OE1 3.2Å; R270-E291 VanDerWaalsContact CZ-OE1 3.26Å; R270-E291 IonicContact CZ-OE2 3.9Å; R270-E291 VanDerWaalsContact CZ-OE2 3.31Å; R270-E291 IonicContact NE-OE1 3.83Å; R270-E291 PolarHBondContact NE-OE1 3.14Å; R270-E291 IonicContact NE-OE2 3.6Å; R270-E291 PolarHBondContact NE-OE2 3.45Å; R270-E291 IonicContact NH2-OE1 3.16Å; R270-E291 PolarHBondContact NH2-OE1 3.42Å; R270-E291 IonicContact NH2-OE2 3.81Å; R270-E291 PolarHBondContact NH2-OE2 3.07Å; E291-K293 HydrophobicContact CG-CG 4.42Å |
| 292 | P | 86.5 | Confident | 85 | Confident | 32 Ų | 32 | 45.7 Ų | 45.7 | 21% | 0.208 | 24% | 0.235 | C | C | . | . | S | Bend | cis | -69.2 | 145.6 | -2.5 | 24.1 | -32.3 | 0 | 0 | 0 | 114.1 | Q265 N294 D295 M298 | Q265-P292 HydrophobicContact CB-CG 4.49Å; P292-N294 PolarHBondContact O-N 3.12Å; P292-D295 HydrophobicContact CG-CB 3.89Å; P292-M298 HydrophobicContact CG-CE 4.31Å; P292-M298 WeakPolarHBondContact O-CE 3.39Å |
| 293 | K | 81.6 | Confident | 85.5 | Confident | 127 Ų | 127 | 47.9 Ų | 47.9 | 55% | 0.552 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -25.1 | -173.8 | -65.6 | -177.9 | -177 | 176.6 | 0 | 114.7 | E291 F321 G322 | E291-K293 HydrophobicContact CG-CG 4.42Å; K293-F321 CarbonylContact O-C 3.58Å; K293-F321 WeakPolarHBondContact O-CA 3.31Å; K293-G322 PolarHBondContact O-N 3.32Å |
| 294 | N | 67.5 | Low | 85.7 | Confident | 125 Ų | 125 | 46.3 Ų | 46.3 | 67% | 0.668 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.4 | 37.9 | -170.8 | -66.1 | -2.4 | 0 | 0 | 0 | 111.9 | P292 P296 F321 | P292-N294 PolarHBondContact O-N 3.12Å; N294-P296 WeakPolarHBondContact O-CD 3.44Å; N294-F321 WeakPolarHBondContact OD1-CD1 3.44Å |
| 295 | D | 75.9 | Confident | 85.6 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 8% | 0.075 | 26% | 0.257 | C | S | . | . | trans | -90.9 | 112.3 | 178.8 | -175.3 | -12.8 | 0 | 0 | 0 | 110.4 | S263 P292 H297 M298 N345 | S263-D295 WeakPolarHBondContact CB-OD2 3.3Å; S263-D295 PolarHBondContact OG-OD2 3.07Å; P292-D295 HydrophobicContact CG-CB 3.89Å; D295-H297 PolarHBondContact O-N 2.74Å; D295-H297 IonicContact OD1-CD2 2.71Å; D295-H297 PolarHBondContact OD1-N 2.96Å; D295-M298 HydrophobicContact CB-CB 4.15Å; D295-M298 HydrophobicContact CB-CE 3.86Å; D295-M298 VanDerWaalsContact O-CB 3.23Å; D295-M298 WeakPolarHBondContact O-CB 3.49Å; D295-M298 PolarHBondContact O-N 3.13Å; D295-N345 WeakPolarHBondContact OD2-CB 3.25Å; D295-N345 PolarHBondContact OD2-ND2 3.01Å | ||
| 296 | P | 68.2 | Low | 85 | Confident | 117 Ų | 117 | 52.6 Ų | 52.6 | 76% | 0.76 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -15.1 | -177.7 | 28.4 | -33.2 | 0 | 0 | 0 | 113.3 | N294 | N294-P296 WeakPolarHBondContact O-CD 3.44Š|
| 297 | H | 76.3 | Confident | 84.4 | Confident | 87 Ų | 87 | 58.6 Ų | 58.6 | 40% | 0.403 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 1.1 | 177 | -58.3 | -86.6 | 0 | 0 | 0 | 112.8 | D295 D346 | D295-H297 PolarHBondContact O-N 2.74Å; D295-H297 IonicContact OD1-CD2 2.71Å; D295-H297 PolarHBondContact OD1-N 2.96Å; H297-D346 IonicContact CD2-OD2 3.66Å; H297-D346 PolarHBondContact CD2-OD2 3.33Å; H297-D346 IonicContact CE1-OD2 2.84Å; H297-D346 IonicContact CG-OD1 3.63Å; H297-D346 IonicContact CG-OD2 3.49Å; H297-D346 IonicContact ND1-OD1 2.91Å; H297-D346 IonicContact ND1-OD2 3.68Å; H297-D346 PolarHBondContact ND1-OD2 3.13Å; H297-D346 IonicContact NE2-OD2 2.65Å |
| 298 | M | 82.2 | Confident | 83.9 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 5% | 0.054 | 31% | 0.313 | C | S | . | . | trans | -72.4 | 128.9 | -179.9 | -165.5 | 87.5 | 76.9 | 0 | 0 | 110.8 | P267 V290 P292 D295 F319 V343 R344 N345 | P267-M298 HydrophobicContact CB-CE 4.45Å; P267-M298 HydrophobicContact CB-SD 3.84Å; V290-M298 HydrophobicContact CG1-CE 3.74Å; V290-M298 HydrophobicContact CG1-SD 3.97Å; P292-M298 HydrophobicContact CG-CE 4.31Å; P292-M298 WeakPolarHBondContact O-CE 3.39Å; D295-M298 HydrophobicContact CB-CB 4.15Å; D295-M298 HydrophobicContact CB-CE 3.86Å; D295-M298 VanDerWaalsContact O-CB 3.23Å; D295-M298 WeakPolarHBondContact O-CB 3.49Å; D295-M298 PolarHBondContact O-N 3.13Å; M298-F319 HydrophobicContact CB-CE1 4.28Å; M298-F319 HydrophobicContact CB-CZ 3.7Å; M298-F319 HydrophobicContact CG-CE1 4.41Å; M298-F319 HydrophobicContact CG-CE2 4.13Å; M298-F319 HydrophobicContact CG-CZ 3.55Å; M298-F319 WeakPolarHBondContact O-CE1 3.44Å; M298-V343 HydrophobicContact CG-CG1 3.86Å; M298-V343 HydrophobicContact SD-CG1 3.59Å; M298-V343 VanDerWaalsContact SD-CG1 3.59Å; M298-R344 CarbonylContact C-O 3.31Å; M298-R344 WeakPolarHBondContact CA-O 3.21Å; M298-N345 HydrophobicContact SD-CB 4.12Å | ||
| 299 | T | 85.3 | Confident | 83.5 | Confident | 54 Ų | 54 | 59.7 Ų | 59.7 | 33% | 0.331 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 149.2 | 176.7 | 54.2 | 0 | 0 | 0 | 0 | 110.5 | V343 R344 | T299-V343 CarbonylContact O-C 3.56Å; T299-V343 WeakPolarHBondContact O-CA 3.34Å; T299-R344 PolarHBondContact N-O 3.25Å; T299-R344 PolarHBondContact O-N 3.49Å; T299-R344 WeakPolarHBondContact OG1-CG 3.1Å; T299-R344 PolarHBondContact OG1-NE 2.94Å; T299-R344 PolarHBondContact OG1-NH1 3.47Å; T299-R344 PolarHBondContact OG1-O 3.39Å |
| 300 | V | 89.7 | Confident | 82.7 | Confident | 33 Ų | 33 | 58 Ų | 58 | 20% | 0.2 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 126.4 | -171 | 178 | 0 | 0 | 0 | 0 | 110 | F319 V324 V341 V342 V343 | V300-F319 HydrophobicContact CG2-CB 4.48Å; V300-F319 HydrophobicContact CG2-CD1 4.15Å; V300-F319 HydrophobicContact CG2-CD2 3.66Å; V300-F319 HydrophobicContact CG2-CE1 4.34Å; V300-F319 HydrophobicContact CG2-CE2 3.87Å; V300-F319 HydrophobicContact CG2-CG 3.82Å; V300-F319 HydrophobicContact CG2-CZ 4.23Å; V300-V324 HydrophobicContact CG1-CB 4.47Å; V300-V324 HydrophobicContact CG1-CG1 3.43Å; V300-V324 VanDerWaalsContact CG1-CG1 3.43Å; V300-V324 HydrophobicContact CG1-CG2 4.2Å; V300-V324 HydrophobicContact CG2-CG2 3.77Å; V300-V341 HydrophobicContact CG1-CG2 4.06Å; V300-V342 CarbonylContact C-O 3.59Å; V300-V342 WeakPolarHBondContact CA-O 3.49Å; V300-V343 HydrophobicContact CG1-CG2 4.45Å; V300-V343 HydrophobicContact CG2-CG1 4.11Å; V300-V343 HydrophobicContact CG2-CG2 4.21Å |
| 301 | D | 87.5 | Confident | 81.5 | Confident | 54 Ų | 54 | 59.3 Ų | 59.3 | 29% | 0.289 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 142.1 | 175.7 | -53.5 | -70.7 | 0 | 0 | 0 | 111.2 | F303 V341 V342 R344 | D301-F303 HydrophobicContact CB-CE2 3.67Å; D301-F303 HydrophobicContact CB-CZ 4.06Å; D301-V341 CarbonylContact O-C 3.59Å; D301-V341 WeakPolarHBondContact O-CA 3.45Å; D301-V342 HydrophobicContact CB-CB 4.5Å; D301-V342 PolarHBondContact N-O 3.46Å; D301-V342 PolarHBondContact O-N 3.45Å; D301-R344 VanDerWaalsContact CG-NH2 3.34Å; D301-R344 IonicContact OD1-NH2 3.95Å; D301-R344 PolarHBondContact OD1-NH2 3.37Å; D301-R344 IonicContact OD2-CZ 2.84Å; D301-R344 IonicContact OD2-NE 3.7Å; D301-R344 PolarHBondContact OD2-NE 2.84Å; D301-R344 IonicContact OD2-NH2 3.6Å; D301-R344 PolarHBondContact OD2-NH2 3.4Å |
| 302 | W | 90.9 | Very high | 80.5 | Confident | 12 Ų | 12 | 58.7 Ų | 58.7 | 5% | 0.045 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 140.2 | 174.2 | -73 | 89.7 | 0 | 0 | 0 | 110.3 | L273 L286 L288 P308 V309 F317 V324 L326 T340 V341 | L273-W302 HydrophobicContact CD1-CH2 4.33Å; L273-W302 HydrophobicContact CD1-CZ3 3.78Å; L273-W302 HydrophobicContact CD2-CH2 4.04Å; L273-W302 HydrophobicContact CD2-CZ3 4.27Å; L286-W302 HydrophobicContact CB-CH2 3.44Å; L286-W302 VanDerWaalsContact CB-CH2 3.44Å; L286-W302 HydrophobicContact CB-CZ2 4.49Å; L286-W302 HydrophobicContact CB-CZ3 3.56Å; L286-W302 HydrophobicContact CD1-CE3 4.49Å; L286-W302 HydrophobicContact CD1-CZ3 3.83Å; L286-W302 HydrophobicContact CG-CZ3 4.32Å; L288-W302 HydrophobicContact CD1-CH2 3.78Å; L288-W302 HydrophobicContact CD1-CZ2 3.95Å; W302-P308 CarbonylContact O-C 3.5Å; W302-P308 WeakPolarHBondContact O-CA 3.31Å; W302-V309 HydrophobicContact CB-CB 4.08Å; W302-V309 HydrophobicContact CB-CG2 4.09Å; W302-V309 PolarHBondContact O-N 3.49Å; W302-F317 HydrophobicContact CB-CD1 4.42Å; W302-F317 HydrophobicContact CB-CE1 3.83Å; W302-F317 AromaticContact CD1-CD1 3.42Å; W302-F317 VanDerWaalsContact CD1-CD1 3.42Å; W302-F317 AromaticContact CD1-CE1 3.73Å; W302-F317 HydrophobicContact CG-CD1 4.02Å; W302-F317 AromaticContact CG-CE1 3.91Å; W302-F317 HydrophobicContact CG-CE1 3.91Å; W302-F317 AromaticContact NE1-CD1 3.95Å; W302-V324 HydrophobicContact CZ2-CG1 3.8Å; W302-L326 HydrophobicContact CB-CD2 4.16Å; W302-L326 HydrophobicContact CD2-CB 3.62Å; W302-L326 HydrophobicContact CD2-CD2 3.77Å; W302-L326 HydrophobicContact CD2-CG 4.34Å; W302-L326 HydrophobicContact CE3-CB 3.89Å; W302-L326 HydrophobicContact CE3-CD2 3.58Å; W302-L326 HydrophobicContact CE3-CG 4.38Å; W302-L326 HydrophobicContact CG-CB 4.19Å; W302-L326 HydrophobicContact CG-CD2 4.05Å; W302-L326 HydrophobicContact CH2-CB 3.94Å; W302-L326 HydrophobicContact CZ2-CB 3.67Å; W302-L326 HydrophobicContact CZ3-CB 4.04Å; W302-L326 HydrophobicContact CZ3-CD2 4.21Å; W302-T340 CarbonylContact C-O 3.59Å; W302-T340 WeakPolarHBondContact CA-O 3.3Å; W302-V341 HydrophobicContact CD2-CB 4.04Å; W302-V341 HydrophobicContact CD2-CG2 3.92Å; W302-V341 HydrophobicContact CE3-CB 3.86Å; W302-V341 HydrophobicContact CE3-CG2 4.26Å; W302-V341 HydrophobicContact CG-CG2 4.43Å; W302-V341 HydrophobicContact CH2-CB 4.12Å; W302-V341 HydrophobicContact CH2-CG2 4.28Å; W302-V341 HydrophobicContact CZ2-CB 4.28Å; W302-V341 HydrophobicContact CZ2-CG2 3.94Å; W302-V341 HydrophobicContact CZ3-CB 3.9Å; W302-V341 HydrophobicContact CZ3-CG2 4.43Å |
| 303 | F | 91.2 | Very high | 79.1 | Confident | 51 Ų | 51 | 63 Ų | 63 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 140.3 | 178.4 | -58.4 | -94.5 | 0 | 0 | 0 | 110.1 | D301 H307 P308 Y339 T340 V342 | D301-F303 HydrophobicContact CB-CE2 3.67Å; D301-F303 HydrophobicContact CB-CZ 4.06Å; F303-H307 CarbonylContact C-O 3.53Å; F303-H307 WeakPolarHBondContact CA-O 3.34Å; F303-P308 HydrophobicContact CD1-CB 4.45Å; F303-P308 HydrophobicContact CE1-CB 4.47Å; F303-Y339 CarbonylContact O-C 3.54Å; F303-Y339 WeakPolarHBondContact O-CA 3.48Å; F303-T340 PolarHBondContact N-O 3.42Å; F303-T340 PolarHBondContact O-N 2.91Å; F303-V342 HydrophobicContact CD2-CG2 4.03Å; F303-V342 HydrophobicContact CE2-CB 4.16Å; F303-V342 HydrophobicContact CE2-CG2 3.65Å |
| 304 | L | 91 | Very high | 79.2 | Confident | 29 Ų | 29 | 60.5 Ų | 60.5 | 15% | 0.152 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 118.6 | 167.7 | 171 | 57.9 | 0 | 0 | 0 | 107.9 | G306 H307 V309 Q338 Y339 | L304-G306 PolarHBondContact O-N 2.83Å; L304-H307 PolarHBondContact N-O 2.86Å; L304-H307 WeakPolarHBondContact O-CB 3.15Å; L304-H307 PolarHBondContact O-N 3.27Å; L304-V309 HydrophobicContact CB-CG2 3.86Å; L304-Q338 CarbonylContact C-O 3.49Å; L304-Q338 WeakPolarHBondContact CA-O 3.39Å; L304-Y339 HydrophobicContact CB-CD1 4.33Å; L304-Y339 HydrophobicContact CB-CE1 4.12Å; L304-Y339 HydrophobicContact CD1-CD1 4.33Å; L304-Y339 HydrophobicContact CD1-CD2 3.78Å; L304-Y339 HydrophobicContact CD1-CE1 4.07Å; L304-Y339 HydrophobicContact CD1-CE2 3.5Å; L304-Y339 VanDerWaalsContact CD1-CE2 3.5Å; L304-Y339 HydrophobicContact CD1-CG 4.21Å; L304-Y339 HydrophobicContact CD2-CE1 4.39Å; L304-Y339 HydrophobicContact CG-CE1 4.42Å |
| 305 | N | 87.6 | Confident | 79.8 | Confident | 87 Ų | 87 | 55.8 Ų | 55.8 | 47% | 0.465 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 33.7 | -174.9 | -60.3 | -43.7 | 0 | 0 | 0 | 113 | H307 S336 G337 Q338 | N305-H307 VanDerWaalsContact C-N 3.28Å; N305-H307 PolarHBondContact O-N 3.11Å; N305-S336 PolarHBondContact ND2-O 3.28Å; N305-G337 WeakPolarHBondContact OD1-CA 3.46Å; N305-Q338 PolarHBondContact N-O 3.24Å; N305-Q338 PolarHBondContact OD1-N 2.75Å |
| 306 | G | 79.7 | Confident | 79.8 | Confident | 53 Ų | 53 | 58.3 Ų | 58.3 | 55% | 0.546 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | -4.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L304 | L304-G306 PolarHBondContact O-N 2.83Š|
| 307 | H | 79.3 | Confident | 80.5 | Confident | 132 Ų | 132 | 54.6 Ų | 54.6 | 61% | 0.611 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 137.7 | 174.3 | -65 | -65.2 | 0 | 0 | 0 | 111.2 | F303 L304 N305 V309 | F303-H307 CarbonylContact C-O 3.53Å; F303-H307 WeakPolarHBondContact CA-O 3.34Å; L304-H307 PolarHBondContact N-O 2.86Å; L304-H307 WeakPolarHBondContact O-CB 3.15Å; L304-H307 PolarHBondContact O-N 3.27Å; N305-H307 VanDerWaalsContact C-N 3.28Å; N305-H307 PolarHBondContact O-N 3.11Å; H307-V309 PolarHBondContact O-N 2.81Å |
| 308 | P | 83.2 | Confident | 80.8 | Confident | 45 Ų | 45 | 52.5 Ų | 52.5 | 29% | 0.292 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 134.1 | -177.9 | 29 | -39.5 | 0 | 0 | 0 | 110.6 | I230 W302 F303 | I230-P308 HydrophobicContact CD1-CB 4.24Å; I230-P308 HydrophobicContact CD1-CG 3.33Å; I230-P308 HydrophobicContact CG1-CG 3.75Å; W302-P308 CarbonylContact O-C 3.5Å; W302-P308 WeakPolarHBondContact O-CA 3.31Å; F303-P308 HydrophobicContact CD1-CB 4.45Å; F303-P308 HydrophobicContact CE1-CB 4.47Å |
| 309 | V | 83.9 | Confident | 80.9 | Confident | 20 Ų | 20 | 56 Ų | 56 | 12% | 0.121 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 128.4 | 172.8 | -170.3 | 0 | 0 | 0 | 0 | 107.8 | K227 W302 L304 H307 T315 F317 L326 Y339 | K227-V309 PolarHBondContact NZ-O 3.12Å; W302-V309 HydrophobicContact CB-CB 4.08Å; W302-V309 HydrophobicContact CB-CG2 4.09Å; W302-V309 PolarHBondContact O-N 3.49Å; L304-V309 HydrophobicContact CB-CG2 3.86Å; H307-V309 PolarHBondContact O-N 2.81Å; V309-T315 HydrophobicContact CG1-CG2 4.28Å; V309-F317 HydrophobicContact CB-CE1 3.97Å; V309-F317 HydrophobicContact CB-CZ 3.82Å; V309-F317 HydrophobicContact CG1-CE1 3.94Å; V309-F317 HydrophobicContact CG1-CZ 3.72Å; V309-F317 WeakPolarHBondContact O-CZ 3.45Å; V309-L326 HydrophobicContact CB-CD2 4.46Å; V309-L326 HydrophobicContact CG1-CD1 4.1Å; V309-L326 HydrophobicContact CG1-CD2 4.2Å; V309-L326 HydrophobicContact CG2-CD2 4.19Å; V309-Y339 HydrophobicContact CG2-CE1 4.41Å |
| 310 | L | 73.6 | Confident | 80.3 | Confident | 85 Ų | 85 | 57.8 Ų | 57.8 | 45% | 0.445 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -95.1 | 152.9 | 176.4 | -55.4 | 179.1 | 0 | 0 | 0 | 110.5 | K227 T315 | K227-L310 HydrophobicContact CD-CD2 3.35Å; L310-T315 WeakPolarHBondContact O-CB 3.35Å; L310-T315 PolarHBondContact O-OG1 3.43Å |
| 311 | T | 65.9 | Low | 79.7 | Confident | 30 Ų | 30 | 62.8 Ų | 62.8 | 18% | 0.184 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -81 | 138.5 | 176.8 | -35.8 | 0 | 0 | 0 | 0 | 106.8 | G147 T315 F317 | G147-T311 WeakPolarHBondContact O-CG2 3.14Å; T311-T315 VanDerWaalsContact CG2-O 3.31Å; T311-T315 WeakPolarHBondContact CG2-O 3.48Å; T311-F317 HydrophobicContact CG2-CD2 4.03Å; T311-F317 HydrophobicContact CG2-CE2 4.24Å; T311-F317 WeakPolarHBondContact OG1-CD2 3.49Å; T311-F317 WeakPolarHBondContact OG1-CE2 3.45Å |
| 312 | G | 63.7 | Low | 79.2 | Confident | 35 Ų | 35 | 60.3 Ų | 60.3 | 36% | 0.361 | 33% | 0.332 | S | S | . | . | trans | -160.4 | -175.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R314 T315 | G312-R314 PolarHBondContact O-N 2.7Å; G312-T315 PolarHBondContact N-O 3.18Å; G312-T315 PolarHBondContact N-OG1 2.93Å; G312-T315 PolarHBondContact O-N 2.78Å | ||
| 313 | S | 57.1 | Low | 79.1 | Confident | 121 Ų | 121 | 61.3 Ų | 61.3 | 85% | 0.846 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -61.3 | -26.8 | 178.7 | 56.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 314 | R | 83.3 | Confident | 79.1 | Confident | 76 Ų | 76 | 58.9 Ų | 58.9 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -97.6 | -27.1 | 174.6 | -73.2 | 170.2 | 53.1 | -154 | -16.5 | 113.5 | G312 V328 K329 Q330 D335 | G312-R314 PolarHBondContact O-N 2.7Å; R314-V328 CarbonylContact O-C 3.6Å; R314-V328 WeakPolarHBondContact O-CA 3.4Å; R314-K329 WeakPolarHBondContact CG-O 3.39Å; R314-K329 PolarHBondContact NE-O 3.43Å; R314-K329 VanDerWaalsContact NE-O 3.14Å; R314-K329 PolarHBondContact O-N 2.79Å; R314-Q330 PolarHBondContact NE-O 2.87Å; R314-Q330 PolarHBondContact NH2-O 3.49Å; R314-D335 IonicContact CZ-OD2 3.58Å; R314-D335 VanDerWaalsContact NH2-CG 3.32Å; R314-D335 IonicContact NH2-OD1 2.7Å; R314-D335 PolarHBondContact NH2-OD1 3.02Å; R314-D335 IonicContact NH2-OD2 3.52Å; R314-D335 PolarHBondContact NH2-OD2 3.37Å |
| 315 | T | 79.5 | Confident | 79.1 | Confident | 25 Ų | 25 | 57.5 Ų | 57.5 | 15% | 0.153 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 126.2 | -171.1 | 48.9 | 0 | 0 | 0 | 0 | 112.9 | V309 L310 T311 G312 D327 V328 | V309-T315 HydrophobicContact CG1-CG2 4.28Å; L310-T315 WeakPolarHBondContact O-CB 3.35Å; L310-T315 PolarHBondContact O-OG1 3.43Å; T311-T315 VanDerWaalsContact CG2-O 3.31Å; T311-T315 WeakPolarHBondContact CG2-O 3.48Å; G312-T315 PolarHBondContact N-O 3.18Å; G312-T315 PolarHBondContact N-OG1 2.93Å; G312-T315 PolarHBondContact O-N 2.78Å; T315-D327 CarbonylContact C-O 3.51Å; T315-D327 WeakPolarHBondContact CA-O 3.43Å; T315-V328 HydrophobicContact CG2-CB 4.36Å; T315-V328 HydrophobicContact CG2-CG1 3.87Å; T315-V328 HydrophobicContact CG2-CG2 4Å |
| 316 | H | 75.9 | Confident | 79.3 | Confident | 68 Ų | 68 | 53.3 Ų | 53.3 | 32% | 0.315 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138.8 | -178.7 | -172.2 | 66.2 | 0 | 0 | 0 | 111.8 | L326 D327 | H316-L326 CarbonylContact O-C 3.58Å; H316-L326 WeakPolarHBondContact O-CA 3.14Å; H316-D327 HydrophobicContact CB-CB 4.28Å; H316-D327 PolarHBondContact N-O 2.81Å; H316-D327 PolarHBondContact O-N 3.08Å |
| 317 | F | 83.1 | Confident | 79.8 | Confident | 38 Ų | 38 | 52.4 Ų | 52.4 | 17% | 0.167 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 142.6 | 178.5 | -51.1 | -74 | 0 | 0 | 0 | 111.2 | W302 V309 T311 A325 L326 | W302-F317 HydrophobicContact CB-CD1 4.42Å; W302-F317 HydrophobicContact CB-CE1 3.83Å; W302-F317 AromaticContact CD1-CD1 3.42Å; W302-F317 VanDerWaalsContact CD1-CD1 3.42Å; W302-F317 AromaticContact CD1-CE1 3.73Å; W302-F317 HydrophobicContact CG-CD1 4.02Å; W302-F317 AromaticContact CG-CE1 3.91Å; W302-F317 HydrophobicContact CG-CE1 3.91Å; W302-F317 AromaticContact NE1-CD1 3.95Å; V309-F317 HydrophobicContact CB-CE1 3.97Å; V309-F317 HydrophobicContact CB-CZ 3.82Å; V309-F317 HydrophobicContact CG1-CE1 3.94Å; V309-F317 HydrophobicContact CG1-CZ 3.72Å; V309-F317 WeakPolarHBondContact O-CZ 3.45Å; T311-F317 HydrophobicContact CG2-CD2 4.03Å; T311-F317 HydrophobicContact CG2-CE2 4.24Å; T311-F317 WeakPolarHBondContact OG1-CD2 3.49Å; T311-F317 WeakPolarHBondContact OG1-CE2 3.45Å; F317-A325 CarbonylContact C-O 3.4Å; F317-A325 VanDerWaalsContact CA-O 3.29Å; F317-A325 WeakPolarHBondContact CA-O 3.45Å; F317-L326 HydrophobicContact CD1-CB 4.23Å; F317-L326 HydrophobicContact CD1-CD1 3.82Å; F317-L326 HydrophobicContact CE1-CB 4.48Å; F317-L326 HydrophobicContact CE1-CD1 3.51Å; F317-L326 HydrophobicContact CE1-CD2 4.36Å; F317-L326 HydrophobicContact CE1-CG 4.32Å; F317-L326 HydrophobicContact CZ-CD1 4.33Å |
| 318 | T | 82.4 | Confident | 80.4 | Confident | 43 Ų | 43 | 46.2 Ų | 46.2 | 26% | 0.264 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 131.1 | 172 | -52 | 0 | 0 | 0 | 0 | 109.4 | Y323 V324 A325 | T318-Y323 HydrophobicContact CG2-CD1 3.82Å; T318-Y323 HydrophobicContact CG2-CE1 4.09Å; T318-V324 CarbonylContact O-C 3.51Å; T318-V324 WeakPolarHBondContact O-CA 3.36Å; T318-A325 PolarHBondContact N-O 2.85Å; T318-A325 PolarHBondContact O-N 3.29Å |
| 319 | F | 84.8 | Confident | 80.5 | Confident | 84 Ų | 84 | 49.2 Ų | 49.2 | 37% | 0.368 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 103.4 | 168.5 | 176.9 | -131.4 | 0 | 0 | 0 | 109.8 | M298 V300 Y323 V324 | M298-F319 HydrophobicContact CB-CE1 4.28Å; M298-F319 HydrophobicContact CB-CZ 3.7Å; M298-F319 HydrophobicContact CG-CE1 4.41Å; M298-F319 HydrophobicContact CG-CE2 4.13Å; M298-F319 HydrophobicContact CG-CZ 3.55Å; M298-F319 WeakPolarHBondContact O-CE1 3.44Å; V300-F319 HydrophobicContact CG2-CB 4.48Å; V300-F319 HydrophobicContact CG2-CD1 4.15Å; V300-F319 HydrophobicContact CG2-CD2 3.66Å; V300-F319 HydrophobicContact CG2-CE1 4.34Å; V300-F319 HydrophobicContact CG2-CE2 3.87Å; V300-F319 HydrophobicContact CG2-CG 3.82Å; V300-F319 HydrophobicContact CG2-CZ 4.23Å; F319-Y323 VanDerWaalsContact CA-O 3.25Å; F319-Y323 WeakPolarHBondContact CA-O 3.42Å; F319-V324 HydrophobicContact CD2-CG2 3.72Å; F319-V324 HydrophobicContact CE2-CG2 4.19Å |
| 320 | D | 72.7 | Confident | 80.5 | Confident | 93 Ų | 93 | 54.9 Ų | 54.9 | 50% | 0.497 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 131.1 | -175.7 | -167.9 | 19.3 | 0 | 0 | 0 | 112.1 | G322 Y323 | D320-G322 PolarHBondContact O-N 3.12Å; D320-G322 VanDerWaalsContact O-N 3.08Å; D320-Y323 PolarHBondContact N-O 2.95Å; D320-Y323 WeakPolarHBondContact O-CA 3.43Å; D320-Y323 WeakPolarHBondContact O-CB 3.32Å; D320-Y323 PolarHBondContact O-N 3.04Å |
| 321 | F | 78.3 | Confident | 81.1 | Confident | 137 Ų | 137 | 50.9 Ų | 50.9 | 60% | 0.601 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.7 | 43.4 | -179.3 | -65.5 | -80.3 | 0 | 0 | 0 | 115.1 | K293 N294 Y323 | K293-F321 CarbonylContact O-C 3.58Å; K293-F321 WeakPolarHBondContact O-CA 3.31Å; N294-F321 WeakPolarHBondContact OD1-CD1 3.44Å; F321-Y323 VanDerWaalsContact C-N 3.32Å; F321-Y323 PolarHBondContact O-N 3.34Å |
| 322 | G | 76.2 | Confident | 82.1 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 12.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R289 V290 K293 D320 | R289-G322 CarbonylContact C-O 3.58Å; R289-G322 VanDerWaalsContact CA-O 3.26Å; R289-G322 WeakPolarHBondContact CA-O 3.39Å; V290-G322 PolarHBondContact N-O 2.78Å; V290-G322 WeakPolarHBondContact O-CA 3.42Å; K293-G322 PolarHBondContact O-N 3.32Å; D320-G322 PolarHBondContact O-N 3.12Å; D320-G322 VanDerWaalsContact O-N 3.08Å |
| 323 | Y | 89.5 | Confident | 82.9 | Confident | 32 Ų | 32 | 52.7 Ų | 52.7 | 13% | 0.125 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 129.8 | 166.5 | -174 | -126.2 | 0 | 0 | 0 | 110.2 | H285 D287 T318 F319 D320 F321 A325 | H285-Y323 PolarHBondContact CE1-OH 2.8Å; H285-Y323 PolarHBondContact NE2-OH 2.87Å; H285-Y323 VanDerWaalsContact NE2-OH 3.14Å; D287-Y323 HydrophobicContact CB-CE2 3.9Å; T318-Y323 HydrophobicContact CG2-CD1 3.82Å; T318-Y323 HydrophobicContact CG2-CE1 4.09Å; F319-Y323 VanDerWaalsContact CA-O 3.25Å; F319-Y323 WeakPolarHBondContact CA-O 3.42Å; D320-Y323 PolarHBondContact N-O 2.95Å; D320-Y323 WeakPolarHBondContact O-CA 3.43Å; D320-Y323 WeakPolarHBondContact O-CB 3.32Å; D320-Y323 PolarHBondContact O-N 3.04Å; F321-Y323 VanDerWaalsContact C-N 3.32Å; F321-Y323 PolarHBondContact O-N 3.34Å; Y323-A325 HydrophobicContact CE1-CB 3.88Å |
| 324 | V | 90.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 121.1 | 178.8 | 172.8 | 0 | 0 | 0 | 0 | 108.8 | D287 L288 V290 V300 W302 T318 F319 V341 | D287-V324 CarbonylContact C-O 3.5Å; D287-V324 VanDerWaalsContact CA-O 3.25Å; D287-V324 WeakPolarHBondContact CA-O 3.16Å; L288-V324 HydrophobicContact CD1-CB 4.23Å; L288-V324 HydrophobicContact CD1-CG1 3.9Å; L288-V324 PolarHBondContact N-O 2.82Å; L288-V324 PolarHBondContact O-N 2.86Å; V290-V324 HydrophobicContact CG2-CG2 3.66Å; V300-V324 HydrophobicContact CG1-CB 4.47Å; V300-V324 HydrophobicContact CG1-CG1 3.43Å; V300-V324 VanDerWaalsContact CG1-CG1 3.43Å; V300-V324 HydrophobicContact CG1-CG2 4.2Å; V300-V324 HydrophobicContact CG2-CG2 3.77Å; W302-V324 HydrophobicContact CZ2-CG1 3.8Å; T318-V324 CarbonylContact O-C 3.51Å; T318-V324 WeakPolarHBondContact O-CA 3.36Å; F319-V324 HydrophobicContact CD2-CG2 3.72Å; F319-V324 HydrophobicContact CE2-CG2 4.19Å; V324-V341 HydrophobicContact CG1-CG2 3.87Å |
| 325 | A | 91.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 153.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L286 D287 F317 T318 Y323 | L286-A325 CarbonylContact O-C 3.53Å; L286-A325 WeakPolarHBondContact O-CA 3.03Å; D287-A325 HydrophobicContact CB-CB 4.03Å; F317-A325 CarbonylContact C-O 3.4Å; F317-A325 VanDerWaalsContact CA-O 3.29Å; F317-A325 WeakPolarHBondContact CA-O 3.45Å; T318-A325 PolarHBondContact N-O 2.85Å; T318-A325 PolarHBondContact O-N 3.29Å; Y323-A325 HydrophobicContact CE1-CB 3.88Å |
| 326 | L | 92.4 | Very high | 85 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 114.3 | 173.1 | 163.6 | 56 | 0 | 0 | 0 | 110.3 | H285 L286 W302 V309 H316 F317 V328 Y339 | H285-L326 CarbonylContact C-O 3.57Å; H285-L326 VanDerWaalsContact CA-O 3.26Å; H285-L326 WeakPolarHBondContact CA-O 3.27Å; L286-L326 HydrophobicContact CB-CB 4.4Å; L286-L326 HydrophobicContact CD1-CD2 4.31Å; L286-L326 PolarHBondContact N-O 3.5Å; L286-L326 PolarHBondContact O-N 2.76Å; W302-L326 HydrophobicContact CB-CD2 4.16Å; W302-L326 HydrophobicContact CD2-CB 3.62Å; W302-L326 HydrophobicContact CD2-CD2 3.77Å; W302-L326 HydrophobicContact CD2-CG 4.34Å; W302-L326 HydrophobicContact CE3-CB 3.89Å; W302-L326 HydrophobicContact CE3-CD2 3.58Å; W302-L326 HydrophobicContact CE3-CG 4.38Å; W302-L326 HydrophobicContact CG-CB 4.19Å; W302-L326 HydrophobicContact CG-CD2 4.05Å; W302-L326 HydrophobicContact CH2-CB 3.94Å; W302-L326 HydrophobicContact CZ2-CB 3.67Å; W302-L326 HydrophobicContact CZ3-CB 4.04Å; W302-L326 HydrophobicContact CZ3-CD2 4.21Å; V309-L326 HydrophobicContact CB-CD2 4.46Å; V309-L326 HydrophobicContact CG1-CD1 4.1Å; V309-L326 HydrophobicContact CG1-CD2 4.2Å; V309-L326 HydrophobicContact CG2-CD2 4.19Å; H316-L326 CarbonylContact O-C 3.58Å; H316-L326 WeakPolarHBondContact O-CA 3.14Å; F317-L326 HydrophobicContact CD1-CB 4.23Å; F317-L326 HydrophobicContact CD1-CD1 3.82Å; F317-L326 HydrophobicContact CE1-CB 4.48Å; F317-L326 HydrophobicContact CE1-CD1 3.51Å; F317-L326 HydrophobicContact CE1-CD2 4.36Å; F317-L326 HydrophobicContact CE1-CG 4.32Å; F317-L326 HydrophobicContact CZ-CD1 4.33Å; L326-V328 HydrophobicContact CD1-CG2 3.98Å; L326-V328 HydrophobicContact CG-CG2 4.23Å; L326-Y339 HydrophobicContact CD2-CD1 3.76Å; L326-Y339 HydrophobicContact CD2-CE1 3.82Å |
| 327 | D | 89.4 | Confident | 85.7 | Confident | 34 Ų | 34 | 49.9 Ų | 49.9 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 130.6 | 173.3 | -75 | -68.4 | 0 | 0 | 0 | 111.9 | L284 H285 T315 H316 | L284-D327 CarbonylContact O-C 3.5Å; L284-D327 VanDerWaalsContact O-CA 3.29Å; L284-D327 WeakPolarHBondContact O-CA 3.36Å; H285-D327 WeakPolarHBondContact CB-OD1 3.37Å; H285-D327 IonicContact CE1-OD1 3.85Å; H285-D327 IonicContact CE1-OD2 3.86Å; H285-D327 IonicContact CG-OD1 3.97Å; H285-D327 VanDerWaalsContact CG-OD1 3.3Å; H285-D327 VanDerWaalsContact ND1-CG 3.27Å; H285-D327 IonicContact ND1-OD1 2.78Å; H285-D327 PolarHBondContact ND1-OD1 2.84Å; H285-D327 IonicContact ND1-OD2 3.38Å; H285-D327 PolarHBondContact ND1-OD2 3.13Å; T315-D327 CarbonylContact C-O 3.51Å; T315-D327 WeakPolarHBondContact CA-O 3.43Å; H316-D327 HydrophobicContact CB-CB 4.28Å; H316-D327 PolarHBondContact N-O 2.81Å; H316-D327 PolarHBondContact O-N 3.08Å |
| 328 | V | 91 | Very high | 86.2 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 118.7 | 173.5 | -166.8 | 0 | 0 | 0 | 0 | 109.5 | N283 L284 R314 T315 L326 L331 | N283-V328 CarbonylContact C-O 3.47Å; N283-V328 WeakPolarHBondContact CA-O 3.28Å; L284-V328 HydrophobicContact CB-CB 4.1Å; L284-V328 HydrophobicContact CB-CG2 4.45Å; L284-V328 HydrophobicContact CD2-CB 4.38Å; L284-V328 HydrophobicContact CD2-CG2 3.94Å; L284-V328 PolarHBondContact N-O 3.45Å; L284-V328 PolarHBondContact O-N 2.85Å; R314-V328 CarbonylContact O-C 3.6Å; R314-V328 WeakPolarHBondContact O-CA 3.4Å; T315-V328 HydrophobicContact CG2-CB 4.36Å; T315-V328 HydrophobicContact CG2-CG1 3.87Å; T315-V328 HydrophobicContact CG2-CG2 4Å; L326-V328 HydrophobicContact CD1-CG2 3.98Å; L326-V328 HydrophobicContact CG-CG2 4.23Å; V328-L331 HydrophobicContact CB-CD2 4.2Å; V328-L331 HydrophobicContact CG1-CD2 4.02Å |
| 329 | K | 86 | Confident | 86.8 | Confident | 108 Ų | 108 | 50.3 Ų | 50.3 | 47% | 0.47 | 25% | 0.253 | S | S | . | . | trans | -94.3 | 144.8 | -180 | -64.3 | 178.3 | -179.4 | 175.3 | 0 | 111.1 | N283 R314 | N283-K329 WeakPolarHBondContact OD1-CA 3.18Å; R314-K329 WeakPolarHBondContact CG-O 3.39Å; R314-K329 PolarHBondContact NE-O 3.43Å; R314-K329 VanDerWaalsContact NE-O 3.14Å; R314-K329 PolarHBondContact O-N 2.79Å | ||
| 330 | Q | 83.6 | Confident | 87.2 | Confident | 138 Ų | 138 | 47.5 Ų | 47.5 | 65% | 0.645 | 24% | 0.242 | S | C | * | . | S | Bend | trans | 50.5 | 70.8 | 177.2 | -65.3 | -176.1 | -18.5 | 0 | 0 | 112.3 | A282 N283 R314 | A282-Q330 PolarHBondContact O-N 3.18Å; N283-Q330 PolarHBondContact OD1-N 3.49Å; R314-Q330 PolarHBondContact NE-O 2.87Å; R314-Q330 PolarHBondContact NH2-O 3.49Å |
| 331 | L | 87.6 | Confident | 88.2 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | trans | -57.9 | 136.5 | -177.9 | -73.9 | 170.7 | 0 | 0 | 0 | 112.1 | L278 G281 A282 L284 V328 D335 I358 | L278-L331 HydrophobicContact CB-CD1 3.87Å; L278-L331 HydrophobicContact CD1-CD1 3.42Å; L278-L331 VanDerWaalsContact CD1-CD1 3.42Å; L278-L331 HydrophobicContact CG-CD1 4.26Å; G281-L331 PolarHBondContact N-O 3.43Å; A282-L331 HydrophobicContact CB-CD1 4.17Å; A282-L331 WeakPolarHBondContact O-CB 3.07Å; A282-L331 VanDerWaalsContact O-CG 3.23Å; A282-L331 WeakPolarHBondContact O-CG 3.47Å; A282-L331 PolarHBondContact O-N 2.88Å; L284-L331 HydrophobicContact CB-CD1 3.99Å; L284-L331 HydrophobicContact CB-CD2 3.83Å; L284-L331 HydrophobicContact CB-CG 4.25Å; L284-L331 HydrophobicContact CD2-CD2 4.34Å; V328-L331 HydrophobicContact CB-CD2 4.2Å; V328-L331 HydrophobicContact CG1-CD2 4.02Å; L331-D335 VanDerWaalsContact CA-OD2 3.24Å; L331-D335 WeakPolarHBondContact CA-OD2 3.34Å; L331-D335 HydrophobicContact CD2-CB 3.62Å; L331-I358 HydrophobicContact CB-CD1 4.09Å; L331-I358 HydrophobicContact CD1-CD1 4.5Å; L331-I358 HydrophobicContact CD2-CD1 4.09Å; L331-I358 HydrophobicContact CG-CD1 4.46Å | ||
| 332 | I | 86.5 | Confident | 88.9 | Confident | 50 Ų | 50 | 37.2 Ų | 37.2 | 26% | 0.256 | 19% | 0.194 | S | C | . | . | trans | -112.9 | 164.5 | 171.2 | 64.2 | 177.7 | 0 | 0 | 0 | 109.7 | E334 D335 I358 | I332-E334 HydrophobicContact CD1-CB 3.88Å; I332-E334 HydrophobicContact CD1-CG 4.29Å; I332-E334 WeakPolarHBondContact CD1-OE2 3.13Å; I332-E334 HydrophobicContact CG1-CB 3.99Å; I332-E334 PolarHBondContact O-N 3.04Å; I332-D335 PolarHBondContact N-OD2 2.84Å; I332-D335 PolarHBondContact O-N 2.77Å; I332-I358 WeakPolarHBondContact O-CD1 3.43Å | ||
| 333 | A | 80.4 | Confident | 89.7 | Confident | 53 Ų | 53 | 37.1 Ų | 37.1 | 44% | 0.438 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -51.2 | -31.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E280 D335 S336 | E280-A333 PolarHBondContact OE1-N 3.29Å; A333-D335 VanDerWaalsContact C-N 3.34Å; A333-D335 PolarHBondContact O-N 2.65Å; A333-S336 VanDerWaalsContact O-CB 3.29Å; A333-S336 WeakPolarHBondContact O-CB 3.49Å; A333-S336 PolarHBondContact O-N 2.87Å |
| 334 | E | 83.3 | Confident | 89.7 | Confident | 159 Ų | 159 | 40.3 Ų | 40.3 | 74% | 0.743 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -71.9 | -19.6 | 178.8 | -61.2 | 169.8 | 175.3 | 0 | 0 | 114.2 | I332 S336 | I332-E334 HydrophobicContact CD1-CB 3.88Å; I332-E334 HydrophobicContact CD1-CG 4.29Å; I332-E334 WeakPolarHBondContact CD1-OE2 3.13Å; I332-E334 HydrophobicContact CG1-CB 3.99Å; I332-E334 PolarHBondContact O-N 3.04Å; E334-S336 PolarHBondContact O-N 2.75Å |
| 335 | D | 89.6 | Confident | 89.5 | Confident | 21 Ų | 21 | 41 Ų | 41 | 11% | 0.112 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -76.4 | -0.3 | 174.4 | -58.5 | -37.9 | 0 | 0 | 0 | 111.8 | R314 L331 I332 A333 Y339 I358 | R314-D335 IonicContact CZ-OD2 3.58Å; R314-D335 VanDerWaalsContact NH2-CG 3.32Å; R314-D335 IonicContact NH2-OD1 2.7Å; R314-D335 PolarHBondContact NH2-OD1 3.02Å; R314-D335 IonicContact NH2-OD2 3.52Å; R314-D335 PolarHBondContact NH2-OD2 3.37Å; L331-D335 VanDerWaalsContact CA-OD2 3.24Å; L331-D335 WeakPolarHBondContact CA-OD2 3.34Å; L331-D335 HydrophobicContact CD2-CB 3.62Å; I332-D335 PolarHBondContact N-OD2 2.84Å; I332-D335 PolarHBondContact O-N 2.77Å; A333-D335 VanDerWaalsContact C-N 3.34Å; A333-D335 PolarHBondContact O-N 2.65Å; D335-Y339 WeakPolarHBondContact O-CE2 3.49Å; D335-Y339 PolarHBondContact O-OH 3.3Å; D335-Y339 VanDerWaalsContact O-OH 3.06Å; D335-I358 HydrophobicContact CB-CD1 3.51Å |
| 336 | S | 90 | Very high | 88.9 | Confident | 38 Ų | 38 | 46 Ų | 46 | 27% | 0.266 | 24% | 0.235 | S | C | . | . | trans | -76.9 | 135.8 | 177.3 | -166.8 | 0 | 0 | 0 | 0 | 109.8 | N305 A333 E334 V356 K357 I358 | N305-S336 PolarHBondContact ND2-O 3.28Å; A333-S336 VanDerWaalsContact O-CB 3.29Å; A333-S336 WeakPolarHBondContact O-CB 3.49Å; A333-S336 PolarHBondContact O-N 2.87Å; E334-S336 PolarHBondContact O-N 2.75Å; S336-V356 CarbonylContact C-O 3.5Å; S336-V356 VanDerWaalsContact CA-O 3.3Å; S336-V356 WeakPolarHBondContact CA-O 3.39Å; S336-V356 PolarHBondContact OG-O 2.82Å; S336-K357 WeakPolarHBondContact OG-CA 3.23Å; S336-I358 VanDerWaalsContact N-CD1 3.29Å; S336-I358 PolarHBondContact OG-N 2.88Å | ||
| 337 | G | 90.5 | Very high | 88.5 | Confident | 13 Ų | 13 | 53.1 Ų | 53.1 | 13% | 0.134 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.3 | -172.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | N305 V356 | N305-G337 WeakPolarHBondContact OD1-CA 3.46Å; G337-V356 PolarHBondContact N-O 3.03Å; G337-V356 PolarHBondContact O-N 3.18Å |
| 338 | Q | 93.9 | Very high | 88.2 | Confident | 87 Ų | 87 | 52.7 Ų | 52.7 | 41% | 0.407 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 109.6 | 176.3 | -178.5 | 172 | 88.8 | 0 | 0 | 110 | L304 N305 T353 C354 N355 | L304-Q338 CarbonylContact C-O 3.49Å; L304-Q338 WeakPolarHBondContact CA-O 3.39Å; N305-Q338 PolarHBondContact N-O 3.24Å; N305-Q338 PolarHBondContact OD1-N 2.75Å; Q338-T353 VanDerWaalsContact CD-CG2 3.44Å; Q338-T353 HydrophobicContact CG-CG2 3.21Å; Q338-C354 CarbonylContact C-O 3.38Å; Q338-C354 WeakPolarHBondContact CA-O 3.37Å; Q338-N355 PolarHBondContact NE2-OD1 3.28Å |
| 339 | Y | 94.6 | Very high | 88.2 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 128.1 | 172.5 | -74.1 | -96 | 0 | 0 | 0 | 110.5 | L284 L286 F303 L304 V309 L326 D335 T353 C354 V356 | L284-Y339 HydrophobicContact CD2-CD2 4.41Å; L284-Y339 HydrophobicContact CD2-CE1 3.99Å; L284-Y339 HydrophobicContact CD2-CE2 3.66Å; L284-Y339 VanDerWaalsContact CD2-CZ 3.41Å; L284-Y339 WeakPolarHBondContact CD2-OH 3.45Å; L286-Y339 HydrophobicContact CD1-CD1 3.55Å; L286-Y339 HydrophobicContact CD1-CD2 4.07Å; L286-Y339 HydrophobicContact CD1-CE1 4.24Å; L286-Y339 HydrophobicContact CD1-CG 3.44Å; L286-Y339 VanDerWaalsContact CD1-CG 3.44Å; F303-Y339 CarbonylContact O-C 3.54Å; F303-Y339 WeakPolarHBondContact O-CA 3.48Å; L304-Y339 HydrophobicContact CB-CD1 4.33Å; L304-Y339 HydrophobicContact CB-CE1 4.12Å; L304-Y339 HydrophobicContact CD1-CD1 4.33Å; L304-Y339 HydrophobicContact CD1-CD2 3.78Å; L304-Y339 HydrophobicContact CD1-CE1 4.07Å; L304-Y339 HydrophobicContact CD1-CE2 3.5Å; L304-Y339 VanDerWaalsContact CD1-CE2 3.5Å; L304-Y339 HydrophobicContact CD1-CG 4.21Å; L304-Y339 HydrophobicContact CD2-CE1 4.39Å; L304-Y339 HydrophobicContact CG-CE1 4.42Å; V309-Y339 HydrophobicContact CG2-CE1 4.41Å; L326-Y339 HydrophobicContact CD2-CD1 3.76Å; L326-Y339 HydrophobicContact CD2-CE1 3.82Å; D335-Y339 WeakPolarHBondContact O-CE2 3.49Å; D335-Y339 PolarHBondContact O-OH 3.3Å; D335-Y339 VanDerWaalsContact O-OH 3.06Å; Y339-T353 CarbonylContact O-C 3.58Å; Y339-T353 WeakPolarHBondContact O-CA 3.16Å; Y339-C354 PolarHBondContact N-O 3.23Å; Y339-C354 PolarHBondContact O-N 3.3Å; Y339-V356 HydrophobicContact CD2-CB 3.85Å; Y339-V356 HydrophobicContact CD2-CG2 3.42Å; Y339-V356 VanDerWaalsContact CD2-CG2 3.42Å; Y339-V356 HydrophobicContact CE2-CB 3.7Å; Y339-V356 HydrophobicContact CE2-CG1 4.27Å; Y339-V356 HydrophobicContact CE2-CG2 3.62Å; Y339-V356 HydrophobicContact CG-CG2 4.47Å |
| 340 | T | 94 | Very high | 88.4 | Confident | 24 Ų | 24 | 54 Ų | 54 | 15% | 0.147 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 129.9 | 175.7 | -62 | 0 | 0 | 0 | 0 | 109.7 | W302 F303 V342 S352 T353 | W302-T340 CarbonylContact C-O 3.59Å; W302-T340 WeakPolarHBondContact CA-O 3.3Å; F303-T340 PolarHBondContact N-O 3.42Å; F303-T340 PolarHBondContact O-N 2.91Å; T340-V342 HydrophobicContact CG2-CG2 4.16Å; T340-S352 CarbonylContact C-O 3.5Å; T340-S352 VanDerWaalsContact CA-O 3.31Å; T340-S352 WeakPolarHBondContact CA-O 3.35Å; T340-T353 WeakPolarHBondContact CG2-OG1 3.45Å; T340-T353 WeakPolarHBondContact OG1-CG2 3.3Å; T340-T353 PolarHBondContact OG1-OG1 3.32Å |
| 341 | V | 94.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 138.6 | 169.4 | 66.8 | 0 | 0 | 0 | 0 | 109.3 | L273 L288 V300 D301 W302 V324 V343 S351 S352 | L273-V341 HydrophobicContact CD1-CB 4.47Å; L273-V341 HydrophobicContact CD1-CG1 4.06Å; L273-V341 HydrophobicContact CG-CG1 4.42Å; L288-V341 HydrophobicContact CD1-CB 3.92Å; L288-V341 HydrophobicContact CD1-CG1 3.33Å; L288-V341 HydrophobicContact CD1-CG2 3.83Å; L288-V341 HydrophobicContact CD2-CG1 3.77Å; L288-V341 HydrophobicContact CG-CG1 4.16Å; V300-V341 HydrophobicContact CG1-CG2 4.06Å; D301-V341 CarbonylContact O-C 3.59Å; D301-V341 WeakPolarHBondContact O-CA 3.45Å; W302-V341 HydrophobicContact CD2-CB 4.04Å; W302-V341 HydrophobicContact CD2-CG2 3.92Å; W302-V341 HydrophobicContact CE3-CB 3.86Å; W302-V341 HydrophobicContact CE3-CG2 4.26Å; W302-V341 HydrophobicContact CG-CG2 4.43Å; W302-V341 HydrophobicContact CH2-CB 4.12Å; W302-V341 HydrophobicContact CH2-CG2 4.28Å; W302-V341 HydrophobicContact CZ2-CB 4.28Å; W302-V341 HydrophobicContact CZ2-CG2 3.94Å; W302-V341 HydrophobicContact CZ3-CB 3.9Å; W302-V341 HydrophobicContact CZ3-CG2 4.43Å; V324-V341 HydrophobicContact CG1-CG2 3.87Å; V341-V343 HydrophobicContact CG2-CG2 4.27Å; V341-S351 CarbonylContact O-C 3.51Å; V341-S351 WeakPolarHBondContact O-CA 3.24Å; V341-S351 VanDerWaalsContact O-CB 3.22Å; V341-S351 WeakPolarHBondContact O-CB 3.09Å; V341-S352 WeakPolarHBondContact CG1-O 3.45Å; V341-S352 PolarHBondContact N-O 2.84Å; V341-S352 PolarHBondContact O-N 2.8Å |
| 342 | V | 92.5 | Very high | 89.1 | Confident | 15 Ų | 15 | 50.3 Ų | 50.3 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 124 | 178.2 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | V300 D301 F303 T340 E349 | V300-V342 CarbonylContact C-O 3.59Å; V300-V342 WeakPolarHBondContact CA-O 3.49Å; D301-V342 HydrophobicContact CB-CB 4.5Å; D301-V342 PolarHBondContact N-O 3.46Å; D301-V342 PolarHBondContact O-N 3.45Å; F303-V342 HydrophobicContact CD2-CG2 4.03Å; F303-V342 HydrophobicContact CE2-CB 4.16Å; F303-V342 HydrophobicContact CE2-CG2 3.65Å; T340-V342 HydrophobicContact CG2-CG2 4.16Å; V342-E349 HydrophobicContact CG1-CG 3.45Å; V342-E349 VanDerWaalsContact CG1-CG 3.45Å; V342-E349 VanDerWaalsContact CG1-OE1 3.28Å; V342-E349 WeakPolarHBondContact CG1-OE1 3.42Å; V342-E349 WeakPolarHBondContact CG1-OE2 3.38Å |
| 343 | V | 92 | Very high | 89.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 122.4 | -179.4 | -172.7 | 0 | 0 | 0 | 0 | 109.2 | P267 L269 V290 M298 T299 V300 V341 E349 V350 | P267-V343 HydrophobicContact CB-CG1 4.28Å; P267-V343 WeakPolarHBondContact CG-O 2.92Å; L269-V343 HydrophobicContact CD2-CG2 4.48Å; V290-V343 HydrophobicContact CB-CG1 4.48Å; V290-V343 HydrophobicContact CG1-CG1 3.75Å; V290-V343 HydrophobicContact CG2-CB 4.45Å; V290-V343 HydrophobicContact CG2-CG1 4.03Å; V290-V343 HydrophobicContact CG2-CG2 3.99Å; M298-V343 HydrophobicContact CG-CG1 3.86Å; M298-V343 HydrophobicContact SD-CG1 3.59Å; M298-V343 VanDerWaalsContact SD-CG1 3.59Å; T299-V343 CarbonylContact O-C 3.56Å; T299-V343 WeakPolarHBondContact O-CA 3.34Å; V300-V343 HydrophobicContact CG1-CG2 4.45Å; V300-V343 HydrophobicContact CG2-CG1 4.11Å; V300-V343 HydrophobicContact CG2-CG2 4.21Å; V341-V343 HydrophobicContact CG2-CG2 4.27Å; V343-E349 CarbonylContact O-C 3.53Å; V343-E349 WeakPolarHBondContact O-CA 3.22Å; V343-V350 HydrophobicContact CB-CG1 4.02Å; V343-V350 PolarHBondContact N-O 2.87Å; V343-V350 PolarHBondContact O-N 3.1Å |
| 344 | R | 90.7 | Very high | 90.1 | Very high | 99 Ų | 99 | 48.1 Ų | 48.1 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 139.6 | -171.3 | 61.2 | -160 | 155.5 | 88.3 | -4.2 | 112 | M298 T299 D301 G348 E349 | M298-R344 CarbonylContact C-O 3.31Å; M298-R344 WeakPolarHBondContact CA-O 3.21Å; T299-R344 PolarHBondContact N-O 3.25Å; T299-R344 PolarHBondContact O-N 3.49Å; T299-R344 WeakPolarHBondContact OG1-CG 3.1Å; T299-R344 PolarHBondContact OG1-NE 2.94Å; T299-R344 PolarHBondContact OG1-NH1 3.47Å; T299-R344 PolarHBondContact OG1-O 3.39Å; D301-R344 VanDerWaalsContact CG-NH2 3.34Å; D301-R344 IonicContact OD1-NH2 3.95Å; D301-R344 PolarHBondContact OD1-NH2 3.37Å; D301-R344 IonicContact OD2-CZ 2.84Å; D301-R344 IonicContact OD2-NE 3.7Å; D301-R344 PolarHBondContact OD2-NE 2.84Å; D301-R344 IonicContact OD2-NH2 3.6Å; D301-R344 PolarHBondContact OD2-NH2 3.4Å; R344-G348 WeakPolarHBondContact CA-O 3.26Å; R344-E349 HydrophobicContact CB-CB 3.97Å; R344-E349 HydrophobicContact CB-CG 4.05Å |
| 345 | N | 85.1 | Confident | 90.5 | Very high | 15 Ų | 15 | 43.9 Ų | 43.9 | 8% | 0.08 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | -175.4 | 169.3 | 73.5 | 2.9 | 0 | 0 | 0 | 109.5 | S263 Q265 P267 D295 M298 R347 G348 | S263-N345 PolarHBondContact OG-ND2 3.16Å; S263-N345 VanDerWaalsContact OG-ND2 3.09Å; Q265-N345 PolarHBondContact O-ND2 2.87Å; P267-N345 VanDerWaalsContact CD-CG 3.49Å; P267-N345 WeakPolarHBondContact CD-OD1 3.37Å; D295-N345 WeakPolarHBondContact OD2-CB 3.25Å; D295-N345 PolarHBondContact OD2-ND2 3.01Å; M298-N345 HydrophobicContact SD-CB 4.12Å; N345-R347 PolarHBondContact O-N 3.17Å; N345-R347 WeakPolarHBondContact OD1-CA 3.34Å; N345-R347 WeakPolarHBondContact OD1-CB 3.42Å; N345-R347 PolarHBondContact OD1-N 3.32Å; N345-G348 PolarHBondContact N-O 3.43Å; N345-G348 PolarHBondContact O-N 2.87Å; N345-G348 PolarHBondContact OD1-N 3.18Å; N345-G348 VanDerWaalsContact OD1-N 3.12Å; N345-G348 PolarHBondContact OD1-O 2.92Å |
| 346 | D | 80 | Confident | 90.7 | Very high | 104 Ų | 104 | 43 Ų | 43 | 56% | 0.556 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -12.7 | -179.7 | -60.5 | -23.6 | 0 | 0 | 0 | 114.8 | H297 | H297-D346 IonicContact CD2-OD2 3.66Å; H297-D346 PolarHBondContact CD2-OD2 3.33Å; H297-D346 IonicContact CE1-OD2 2.84Å; H297-D346 IonicContact CG-OD1 3.63Å; H297-D346 IonicContact CG-OD2 3.49Å; H297-D346 IonicContact ND1-OD1 2.91Å; H297-D346 IonicContact ND1-OD2 3.68Å; H297-D346 PolarHBondContact ND1-OD2 3.13Å; H297-D346 IonicContact NE2-OD2 2.65Å |
| 347 | R | 83.9 | Confident | 90.7 | Very high | 150 Ų | 150 | 46.5 Ų | 46.5 | 57% | 0.566 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -14.9 | -178.5 | -65.3 | -64.2 | -174.3 | 164 | 1.5 | 114.2 | S263 M266 N345 | S263-R347 WeakPolarHBondContact O-CG 3.42Å; S263-R347 PolarHBondContact O-NE 3.29Å; S263-R347 PolarHBondContact O-NH2 3.08Å; M266-R347 HydrophobicContact CB-CB 4.4Å; N345-R347 PolarHBondContact O-N 3.17Å; N345-R347 WeakPolarHBondContact OD1-CA 3.34Å; N345-R347 WeakPolarHBondContact OD1-CB 3.42Å; N345-R347 PolarHBondContact OD1-N 3.32Å |
| 348 | G | 83.3 | Confident | 90.7 | Very high | 26 Ų | 26 | 46.8 Ų | 46.8 | 27% | 0.268 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.8 | -171.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P267 R344 N345 | P267-G348 WeakPolarHBondContact CD-O 3.23Å; P267-G348 WeakPolarHBondContact CG-O 3.23Å; R344-G348 WeakPolarHBondContact CA-O 3.26Å; N345-G348 PolarHBondContact N-O 3.43Å; N345-G348 PolarHBondContact O-N 2.87Å; N345-G348 PolarHBondContact OD1-N 3.18Å; N345-G348 VanDerWaalsContact OD1-N 3.12Å; N345-G348 PolarHBondContact OD1-O 2.92Å |
| 349 | E | 89.6 | Confident | 90 | Very high | 107 Ų | 107 | 46 Ų | 46 | 50% | 0.5 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 143 | -175.8 | 178.9 | 178.6 | 118.5 | 0 | 0 | 110.1 | M266 V342 V343 R344 | M266-E349 WeakPolarHBondContact CE-O 3.36Å; V342-E349 HydrophobicContact CG1-CG 3.45Å; V342-E349 VanDerWaalsContact CG1-CG 3.45Å; V342-E349 VanDerWaalsContact CG1-OE1 3.28Å; V342-E349 WeakPolarHBondContact CG1-OE1 3.42Å; V342-E349 WeakPolarHBondContact CG1-OE2 3.38Å; V343-E349 CarbonylContact O-C 3.53Å; V343-E349 WeakPolarHBondContact O-CA 3.22Å; R344-E349 HydrophobicContact CB-CB 3.97Å; R344-E349 HydrophobicContact CB-CG 4.05Å |
| 350 | V | 91.8 | Very high | 88.3 | Confident | 30 Ų | 30 | 48.9 Ų | 48.9 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 144.4 | 171.4 | 68.6 | 0 | 0 | 0 | 0 | 109.2 | P267 L269 V343 | P267-V350 HydrophobicContact CB-CG1 3.76Å; P267-V350 HydrophobicContact CG-CB 4.43Å; P267-V350 HydrophobicContact CG-CG1 3.98Å; P267-V350 WeakPolarHBondContact O-CB 3.4Å; P267-V350 WeakPolarHBondContact O-CG1 3.46Å; L269-V350 HydrophobicContact CB-CG2 4.39Å; L269-V350 HydrophobicContact CD1-CG1 4.33Å; L269-V350 HydrophobicContact CD1-CG2 3.71Å; L269-V350 HydrophobicContact CD2-CG1 3.93Å; L269-V350 HydrophobicContact CG-CB 4.28Å; L269-V350 HydrophobicContact CG-CG1 3.68Å; L269-V350 HydrophobicContact CG-CG2 3.6Å; V343-V350 HydrophobicContact CB-CG1 4.02Å; V343-V350 PolarHBondContact N-O 2.87Å; V343-V350 PolarHBondContact O-N 3.1Å |
| 351 | S | 92 | Very high | 86.3 | Confident | 60 Ų | 60 | 56.7 Ų | 56.7 | 42% | 0.42 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 159.6 | -180 | 60.8 | 0 | 0 | 0 | 0 | 112.3 | L269 V341 | L269-S351 WeakPolarHBondContact CD1-O 3.3Å; V341-S351 CarbonylContact O-C 3.51Å; V341-S351 WeakPolarHBondContact O-CA 3.24Å; V341-S351 VanDerWaalsContact O-CB 3.22Å; V341-S351 WeakPolarHBondContact O-CB 3.09Å |
| 352 | S | 94 | Very high | 83.6 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 143.6 | 174.1 | -163.4 | 0 | 0 | 0 | 0 | 110.2 | Q272 L273 L288 T340 V341 | Q272-S352 WeakPolarHBondContact CA-OG 3.32Å; Q272-S352 PolarHBondContact OE1-OG 2.9Å; L273-S352 PolarHBondContact N-OG 2.94Å; L288-S352 VanDerWaalsContact CD2-CB 3.49Å; T340-S352 CarbonylContact C-O 3.5Å; T340-S352 VanDerWaalsContact CA-O 3.31Å; T340-S352 WeakPolarHBondContact CA-O 3.35Å; V341-S352 WeakPolarHBondContact CG1-O 3.45Å; V341-S352 PolarHBondContact N-O 2.84Å; V341-S352 PolarHBondContact O-N 2.8Å |
| 353 | T | 94 | Very high | 80.8 | Confident | 57 Ų | 57 | 71.2 Ų | 71.2 | 35% | 0.35 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 143.9 | -173.7 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | Q338 Y339 T340 | Q338-T353 VanDerWaalsContact CD-CG2 3.44Å; Q338-T353 HydrophobicContact CG-CG2 3.21Å; Y339-T353 CarbonylContact O-C 3.58Å; Y339-T353 WeakPolarHBondContact O-CA 3.16Å; T340-T353 WeakPolarHBondContact CG2-OG1 3.45Å; T340-T353 WeakPolarHBondContact OG1-CG2 3.3Å; T340-T353 PolarHBondContact OG1-OG1 3.32Å |
| 354 | C | 93.8 | Very high | 77.9 | Confident | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 154.9 | 168.7 | 65.4 | 0 | 0 | 0 | 0 | 113 | L273 R274 D275 L286 Q338 Y339 | L273-C354 HydrophobicContact CB-CB 3.61Å; R274-C354 VanDerWaalsContact O-CB 3.28Å; R274-C354 WeakPolarHBondContact O-CB 3.17Å; D275-C354 WeakPolarHBondContact OD1-CA 3.38Å; L286-C354 VanDerWaalsContact CD2-SG 3.52Å; Q338-C354 CarbonylContact C-O 3.38Å; Q338-C354 WeakPolarHBondContact CA-O 3.37Å; Y339-C354 PolarHBondContact N-O 3.23Å; Y339-C354 PolarHBondContact O-N 3.3Å |
| 355 | N | 91.4 | Very high | 75.1 | Confident | 70 Ų | 70 | 83.7 Ų | 83.7 | 37% | 0.374 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 126.7 | 174.2 | -54.7 | -59.2 | 0 | 0 | 0 | 111.4 | D275 M276 Q338 | D275-N355 CarbonylContact C-O 3.36Å; D275-N355 WeakPolarHBondContact CA-O 3.31Å; D275-N355 PolarHBondContact OD1-N 3.44Å; D275-N355 PolarHBondContact OD2-ND2 3.11Å; M276-N355 PolarHBondContact N-O 2.76Å; Q338-N355 PolarHBondContact NE2-OD1 3.28Å |
| 356 | V | 92.8 | Very high | 72.4 | Confident | 2 Ų | 2 | 92.5 Ų | 92.5 | 1% | 0.012 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 112.6 | 174.7 | 177.7 | 0 | 0 | 0 | 0 | 108.7 | M276 L278 L284 S336 G337 Y339 I358 | M276-V356 HydrophobicContact CB-CG2 4.46Å; M276-V356 CarbonylContact O-C 3.44Å; M276-V356 WeakPolarHBondContact O-CA 3.43Å; L278-V356 HydrophobicContact CD1-CG1 4.31Å; L284-V356 HydrophobicContact CD1-CB 4.49Å; L284-V356 HydrophobicContact CD1-CG1 3.88Å; L284-V356 HydrophobicContact CD1-CG2 3.74Å; L284-V356 HydrophobicContact CD2-CG1 4.41Å; L284-V356 HydrophobicContact CD2-CG2 4.29Å; S336-V356 CarbonylContact C-O 3.5Å; S336-V356 VanDerWaalsContact CA-O 3.3Å; S336-V356 WeakPolarHBondContact CA-O 3.39Å; S336-V356 PolarHBondContact OG-O 2.82Å; G337-V356 PolarHBondContact N-O 3.03Å; G337-V356 PolarHBondContact O-N 3.18Å; Y339-V356 HydrophobicContact CD2-CB 3.85Å; Y339-V356 HydrophobicContact CD2-CG2 3.42Å; Y339-V356 VanDerWaalsContact CD2-CG2 3.42Å; Y339-V356 HydrophobicContact CE2-CB 3.7Å; Y339-V356 HydrophobicContact CE2-CG1 4.27Å; Y339-V356 HydrophobicContact CE2-CG2 3.62Å; Y339-V356 HydrophobicContact CG-CG2 4.47Å; V356-I358 HydrophobicContact CG1-CG1 4.33Å |
| 357 | K | 89.9 | Confident | 69.9 | Low | 112 Ų | 112 | 96.4 Ų | 96.4 | 49% | 0.487 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.9 | 176.3 | -171 | -174.4 | 177.4 | -150.2 | 0 | 109.9 | M276 V277 L278 S336 E359 | M276-K357 PolarHBondContact O-N 3.49Å; V277-K357 CarbonylContact C-O 3.54Å; V277-K357 VanDerWaalsContact CA-O 3.32Å; V277-K357 WeakPolarHBondContact CA-O 3.49Å; V277-K357 HydrophobicContact CG1-CB 4.35Å; V277-K357 HydrophobicContact CG1-CD 4.37Å; V277-K357 HydrophobicContact CG2-CB 4.19Å; V277-K357 HydrophobicContact CG2-CD 4.46Å; L278-K357 PolarHBondContact N-O 2.82Å; S336-K357 WeakPolarHBondContact OG-CA 3.23Å; K357-E359 IonicContact NZ-OE1 2.67Å; K357-E359 PolarHBondContact NZ-OE1 2.81Å |
| 358 | I | 91 | Very high | 67.1 | Low | 18 Ų | 18 | 94.7 Ų | 94.7 | 9% | 0.092 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 120.8 | 176.7 | -57.6 | 172.3 | 0 | 0 | 0 | 109 | L278 E280 L331 I332 D335 S336 V356 | L278-I358 CarbonylContact O-C 3.47Å; L278-I358 VanDerWaalsContact O-CA 3.27Å; L278-I358 WeakPolarHBondContact O-CA 3.19Å; E280-I358 HydrophobicContact CB-CG2 4.12Å; L331-I358 HydrophobicContact CB-CD1 4.09Å; L331-I358 HydrophobicContact CD1-CD1 4.5Å; L331-I358 HydrophobicContact CD2-CD1 4.09Å; L331-I358 HydrophobicContact CG-CD1 4.46Å; I332-I358 WeakPolarHBondContact O-CD1 3.43Å; D335-I358 HydrophobicContact CB-CD1 3.51Å; S336-I358 VanDerWaalsContact N-CD1 3.29Å; S336-I358 PolarHBondContact OG-N 2.88Å; V356-I358 HydrophobicContact CG1-CG1 4.33Å |
| 359 | E | 80.3 | Confident | 64.6 | Low | 70 Ų | 70 | 100.8 Ų | 100.8 | 33% | 0.327 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 130.2 | 179.9 | -63.6 | -172 | 158.9 | 0 | 0 | 110.4 | V277 L278 Q279 E280 K357 | V277-E359 HydrophobicContact CG1-CG 3.84Å; L278-E359 PolarHBondContact O-N 2.67Å; Q279-E359 PolarHBondContact NE2-OE2 3.07Å; Q279-E359 PolarHBondContact OE1-O 2.69Å; E280-E359 PolarHBondContact N-O 3.18Å; K357-E359 IonicContact NZ-OE1 2.67Å; K357-E359 PolarHBondContact NZ-OE1 2.81Å |
| 360 | S | 58.6 | Low | 61.9 | Low | 64 Ų | 64 | 105.7 Ų | 105.7 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | trans | -102.1 | 136 | 172.7 | 57.6 | 0 | 0 | 0 | 0 | 110.1 | E280 T362 | E280-S360 WeakPolarHBondContact OE2-CB 3.42Å; S360-T362 PolarHBondContact O-N 2.87Å | ||
| 361 | E | 50.9 | Low | 59 | Low | 188 Ų | 188 | 107.9 Ų | 107.9 | 88% | 0.879 | 52% | 0.524 | S | S | * | . | trans | -69.9 | 90.7 | 177.5 | -76.6 | -166.7 | 155.5 | 0 | 0 | 110.8 | K363 | E361-K363 PolarHBondContact O-N 3.14Š| ||
| 362 | T | 38.7 | Very low | 55.9 | Low | 123 Ų | 123 | 112.3 Ų | 112.3 | 76% | 0.755 | 54% | 0.543 | S | S | * | . | trans | -82.4 | 115.1 | 170.2 | 21.1 | 0 | 0 | 0 | 0 | 110.7 | S360 R364 | S360-T362 PolarHBondContact O-N 2.87Å; T362-R364 PolarHBondContact O-N 2.81Å | ||
| 363 | K | 33.3 | Very low | 52.9 | Low | 198 Ų | 198 | 122.6 Ų | 122.6 | 86% | 0.861 | 58% | 0.583 | S | S | * | * | trans | -42.9 | 101.5 | 168.5 | -66.7 | 175.5 | 178 | 175.9 | 0 | 111.7 | E361 | E361-K363 PolarHBondContact O-N 3.14Š| ||
| 364 | R | 30.9 | Very low | 50.1 | Low | 223 Ų | 223 | 125.9 Ų | 125.9 | 84% | 0.842 | 60% | 0.597 | S | S | * | * | trans | -138.7 | 113.4 | 168 | -115.3 | -177.7 | -168.1 | 177.2 | 5.8 | 113.2 | T362 | T362-R364 PolarHBondContact O-N 2.81Š| ||
| 365 | N | 31.5 | Very low | 47.2 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 74% | 0.738 | 63% | 0.627 | S | S | * | * | trans | 67 | 97.2 | 143.3 | -66.7 | -13 | 0 | 0 | 0 | 120.9 | ||||
| 366 | K | 28.6 | Very low | 44.1 | Very low | 200 Ų | 200 | 134.2 Ų | 134.2 | 87% | 0.87 | 65% | 0.648 | S | S | * | * | S | Bend | -4.3 | 130.5 | 124.6 | -65.9 | 174.5 | 177.1 | 175.8 | 0 | 115.1 | |||
| 367 | Q | 27.4 | Very low | 41.1 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 87% | 0.869 | 68% | 0.68 | S | S | * | * | trans | 81 | 58.5 | 162.5 | -62.3 | 179.3 | -14.7 | 0 | 0 | 118.6 | ||||
| 368 | T | 25.5 | Very low | 38.2 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 69% | 0.693 | 70% | 0.697 | S | S | * | * | trans | -174.8 | 135.3 | 151.5 | 1.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 369 | F | 30.8 | Very low | 35.2 | Very low | 154 Ų | 154 | 150.9 Ų | 150.9 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | cis | -146.8 | 118.1 | 19.3 | -104 | -76.1 | 0 | 0 | 0 | 109.5 | I371 | F369-I371 HydrophobicContact CB-CB 4.27Å; F369-I371 HydrophobicContact CD1-CB 3.58Å; F369-I371 HydrophobicContact CD1-CD1 3.31Å; F369-I371 HydrophobicContact CD1-CG1 3.6Å; F369-I371 HydrophobicContact CE1-CB 4.35Å; F369-I371 HydrophobicContact CE1-CD1 3.34Å; F369-I371 HydrophobicContact CE1-CG1 4.16Å; F369-I371 HydrophobicContact CG-CB 4.33Å; F369-I371 PolarHBondContact O-N 2.81Å | ||
| 370 | K | 32.2 | Very low | 32.8 | Very low | 210 Ų | 210 | 152.5 Ų | 152.5 | 91% | 0.913 | 75% | 0.751 | S | S | * | * | trans | -71.8 | 41.5 | 162.6 | -147 | 172 | -174.9 | 178.7 | 0 | 109.5 | ||||
| 371 | I | 31.5 | Very low | 31.4 | Very low | 76 Ų | 76 | 159.5 Ų | 159.5 | 39% | 0.39 | 77% | 0.774 | S | S | . | * | trans | -147.4 | 62 | -169.8 | -57.5 | 177.1 | 0 | 0 | 0 | 110.5 | F369 I375 | F369-I371 HydrophobicContact CB-CB 4.27Å; F369-I371 HydrophobicContact CD1-CB 3.58Å; F369-I371 HydrophobicContact CD1-CD1 3.31Å; F369-I371 HydrophobicContact CD1-CG1 3.6Å; F369-I371 HydrophobicContact CE1-CB 4.35Å; F369-I371 HydrophobicContact CE1-CD1 3.34Å; F369-I371 HydrophobicContact CE1-CG1 4.16Å; F369-I371 HydrophobicContact CG-CB 4.33Å; F369-I371 PolarHBondContact O-N 2.81Å; I371-I375 HydrophobicContact CG2-CD1 3.37Å; I371-I375 HydrophobicContact CG2-CG1 4.1Å | ||
| 372 | L | 27.6 | Very low | 30.4 | Very low | 153 Ų | 153 | 156.1 Ų | 156.1 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -147.6 | -6 | 152.3 | -104 | 140 | 0 | 0 | 0 | 112.4 | ||
| 373 | Y | 30.9 | Very low | 29.9 | Very low | 219 Ų | 219 | 157.4 Ų | 157.4 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -83.4 | -1.5 | 167.9 | -165.8 | -108.1 | 0 | 0 | 0 | 113.9 | ||
| 374 | I | 35.7 | Very low | 29.8 | Very low | 126 Ų | 126 | 159 Ų | 159 | 65% | 0.646 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -131.4 | -4.2 | -173.2 | -64.5 | -179.8 | 0 | 0 | 0 | 114.5 | ||
| 375 | I | 31.3 | Very low | 29.7 | Very low | 125 Ų | 125 | 153.7 Ų | 153.7 | 64% | 0.641 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -117.4 | 18.6 | -175.7 | -58.2 | -175.7 | 0 | 0 | 0 | 114.4 | I371 | I371-I375 HydrophobicContact CG2-CD1 3.37Å; I371-I375 HydrophobicContact CG2-CG1 4.1Å |
| 376 | C | 27.5 | Very low | 29.5 | Very low | 120 Ų | 120 | 158.4 Ų | 158.4 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -111.2 | 17.7 | 162.9 | -72.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 377 | I | 29.8 | Very low | 29.9 | Very low | 132 Ų | 132 | 152.7 Ų | 152.7 | 68% | 0.677 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -108.9 | 102 | 168.2 | -60.1 | 175.6 | 0 | 0 | 0 | 107.9 | ||
| 378 | R | 27.8 | Very low | 30.8 | Very low | 228 Ų | 228 | 148.6 Ų | 148.6 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | 104.7 | 127.6 | 165 | -64.7 | 165.9 | 175.7 | 174 | -0.3 | 117.8 | ||||
| 379 | C | 29 | Very low | 32.2 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | trans | 94.1 | 124.3 | 165.5 | -57 | 0 | 0 | 0 | 0 | 116 | ||||
| 380 | S | 29.8 | Very low | 34.2 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | cis | -179.1 | 123.4 | -13 | 33.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 381 | K | 29.1 | Very low | 36.6 | Very low | 212 Ų | 212 | 134 Ų | 134 | 92% | 0.922 | 73% | 0.725 | S | S | * | * | trans | 50.7 | 102.4 | 140.4 | -59.8 | -175.9 | 176.5 | -177.5 | 0 | 120.1 | ||||
| 382 | S | 30.1 | Very low | 39.3 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | trans | -165.9 | 83.6 | 131.8 | 56.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 383 | D | 27.7 | Very low | 42.3 | Very low | 149 Ų | 149 | 127.3 Ų | 127.3 | 80% | 0.797 | 69% | 0.694 | S | S | * | * | 68.6 | 91.5 | 98.2 | -158.9 | 19.3 | 0 | 0 | 0 | 113.8 | |||||
| 384 | R | 30.2 | Very low | 45.1 | Very low | 231 Ų | 231 | 118.5 Ų | 118.5 | 87% | 0.872 | 66% | 0.66 | S | S | * | * | -176.8 | 104.7 | 127.2 | -96.2 | 167.3 | -173.7 | -167.7 | 1.4 | 112.2 | |||||
| 385 | S | 29.6 | Very low | 47.6 | Very low | 112 Ų | 112 | 116.1 Ų | 116.1 | 78% | 0.783 | 65% | 0.651 | S | S | * | * | trans | 38.3 | 101.9 | 158.3 | 61.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 386 | Y | 26.5 | Very low | 50.4 | Low | 237 Ų | 237 | 117.6 Ų | 117.6 | 93% | 0.929 | 65% | 0.649 | S | S | * | * | trans | -60 | 125.1 | 157.8 | -84.8 | -107.5 | 0 | 0 | 0 | 110.7 | S388 | Y386-S388 PolarHBondContact O-N 2.78Š| ||
| 387 | G | 37.6 | Very low | 53.4 | Low | 80 Ų | 80 | 115.8 Ų | 115.8 | 83% | 0.825 | 64% | 0.636 | S | S | * | * | trans | -64.3 | 104 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109 | A389 | G387-A389 PolarHBondContact O-N 2.8Š| ||
| 388 | S | 46.3 | Very low | 56.3 | Low | 101 Ų | 101 | 109.7 Ų | 109.7 | 71% | 0.706 | 60% | 0.604 | S | S | * | * | trans | -55.9 | 124 | 175.2 | -169.3 | 0 | 0 | 0 | 0 | 108.8 | Y386 S390 | Y386-S388 PolarHBondContact O-N 2.78Å; S388-S390 PolarHBondContact O-N 2.83Å | ||
| 389 | A | 54.4 | Low | 59 | Low | 73 Ų | 73 | 104 Ų | 104 | 60% | 0.603 | 59% | 0.591 | S | S | * | * | trans | -52.1 | 118.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | G387 L474 | G387-A389 PolarHBondContact O-N 2.8Å; A389-L474 HydrophobicContact CB-CD1 3.61Å; A389-L474 WeakPolarHBondContact O-CD1 3.46Å | ||
| 390 | S | 74.3 | Confident | 61.5 | Low | 53 Ų | 53 | 100.5 Ų | 100.5 | 37% | 0.371 | 57% | 0.567 | S | S | . | * | trans | -127.7 | 154.9 | 179 | 68.3 | 0 | 0 | 0 | 0 | 109.5 | S388 N472 | S388-S390 PolarHBondContact O-N 2.83Å; S390-N472 PolarHBondContact O-ND2 3.08Å | ||
| 391 | A | 82.9 | Confident | 63.3 | Low | 43 Ų | 43 | 97.8 Ų | 97.8 | 36% | 0.355 | 55% | 0.547 | S | S | . | . | trans | -53.7 | 151.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L474 | A391-L474 HydrophobicContact CB-CB 4.35Š| ||
| 392 | P | 87.7 | Confident | 65.4 | Low | 5 Ų | 5 | 91.5 Ų | 91.5 | 3% | 0.032 | 52% | 0.524 | C | S | . | . | trans | -65.8 | 141.6 | -176.9 | 28.1 | -33.5 | 0 | 0 | 0 | 110.6 | A418 M425 L470 N472 G475 A477 | P392-A418 CarbonylContact C-O 3.58Å; P392-A418 WeakPolarHBondContact CA-O 3.49Å; P392-M425 HydrophobicContact CB-CE 3.79Å; P392-M425 HydrophobicContact CB-SD 3.72Å; P392-L470 HydrophobicContact CB-CB 3.77Å; P392-L470 HydrophobicContact CB-CD1 4.44Å; P392-L470 HydrophobicContact CG-CB 4.21Å; P392-N472 VanDerWaalsContact CD-OD1 3.25Å; P392-N472 WeakPolarHBondContact CD-OD1 3.47Å; P392-G475 VanDerWaalsContact CD-C 3.41Å; P392-G475 WeakPolarHBondContact CD-O 3.12Å; P392-G475 WeakPolarHBondContact CG-O 3.26Å; P392-A477 HydrophobicContact CG-CB 4.34Å; P392-A477 VanDerWaalsContact O-CB 3.29Å; P392-A477 WeakPolarHBondContact O-CB 3.45Å | ||
| 393 | V | 90.1 | Very high | 67.6 | Low | 84 Ų | 84 | 88.1 Ų | 88.1 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 138.4 | 178.1 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | V395 V417 A418 | V393-V395 PolarHBondContact O-N 2.8Å; V393-V417 CarbonylContact O-C 3.52Å; V393-V417 WeakPolarHBondContact O-CA 3.46Å; V393-A418 PolarHBondContact N-O 2.75Å; V393-A418 PolarHBondContact O-N 2.81Å |
| 394 | F | 90.2 | Very high | 70.2 | Confident | 34 Ų | 34 | 85.4 Ų | 85.4 | 15% | 0.149 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 109.9 | 168.4 | -67.9 | -90.3 | 0 | 0 | 0 | 109.5 | R396 C415 E416 V417 C468 L470 A477 S478 S479 | F394-R396 VanDerWaalsContact C-N 3.32Å; F394-C415 HydrophobicContact CD1-CB 3.92Å; F394-C415 HydrophobicContact CE1-CB 4.1Å; F394-E416 CarbonylContact C-O 3.57Å; F394-E416 WeakPolarHBondContact CA-O 3.36Å; F394-V417 HydrophobicContact CD1-CG1 4.33Å; F394-V417 HydrophobicContact CE1-CG1 4.44Å; F394-C468 HydrophobicContact CE1-CB 4.35Å; F394-C468 HydrophobicContact CZ-CB 4.44Å; F394-C468 WeakPolarHBondContact CZ-O 3.45Å; F394-L470 HydrophobicContact CD1-CD1 4.01Å; F394-L470 HydrophobicContact CD2-CD1 4.06Å; F394-L470 HydrophobicContact CE1-CD1 3.65Å; F394-L470 HydrophobicContact CE1-CG 4.01Å; F394-L470 HydrophobicContact CE2-CD1 3.65Å; F394-L470 HydrophobicContact CE2-CG 4.04Å; F394-L470 HydrophobicContact CG-CD1 4.22Å; F394-L470 HydrophobicContact CZ-CD1 3.46Å; F394-L470 VanDerWaalsContact CZ-CD1 3.46Å; F394-L470 HydrophobicContact CZ-CD2 4.48Å; F394-L470 HydrophobicContact CZ-CG 3.56Å; F394-A477 HydrophobicContact CD2-CB 3.92Å; F394-A477 HydrophobicContact CE2-CB 3.69Å; F394-S478 WeakPolarHBondContact CE2-O 3.43Å; F394-S479 VanDerWaalsContact CE1-CB 3.43Å |
| 395 | V | 88.7 | Confident | 72.7 | Confident | 76 Ų | 76 | 75.7 Ų | 75.7 | 46% | 0.461 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | -39.9 | 168.1 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | V393 E416 A418 | V393-V395 PolarHBondContact O-N 2.8Å; V395-E416 HydrophobicContact CB-CB 4.08Å; V395-E416 HydrophobicContact CB-CG 3.88Å; V395-E416 HydrophobicContact CG1-CG 4.19Å; V395-E416 HydrophobicContact CG2-CG 4.49Å; V395-E416 PolarHBondContact N-O 2.88Å; V395-A418 HydrophobicContact CG2-CB 3.55Å |
| 396 | R | 90.1 | Very high | 75.2 | Confident | 157 Ų | 157 | 74 Ų | 74 | 59% | 0.592 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 126.2 | 166.8 | -66 | -179.6 | -178.5 | 173.1 | 2 | 108.9 | F394 C415 E416 | F394-R396 VanDerWaalsContact C-N 3.32Å; R396-C415 WeakPolarHBondContact O-CA 3.39Å; R396-C415 VanDerWaalsContact O-CB 3.26Å; R396-C415 WeakPolarHBondContact O-CB 3.37Å; R396-E416 HydrophobicContact CB-CB 3.75Å; R396-E416 HydrophobicContact CG-CB 4.04Å; R396-E416 IonicContact CZ-OE2 3.97Å; R396-E416 PolarHBondContact N-O 3.01Å; R396-E416 IonicContact NE-OE2 3.48Å; R396-E416 PolarHBondContact NE-OE2 2.99Å; R396-E416 PolarHBondContact O-N 2.83Å |
| 397 | P | 90.3 | Very high | 77.8 | Confident | 82 Ų | 82 | 65.9 Ų | 65.9 | 53% | 0.532 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 173.1 | 173.2 | 31.4 | -35.3 | 0 | 0 | 0 | 110.9 | N399 S479 | P397-N399 PolarHBondContact O-N 3.42Å; P397-S479 WeakPolarHBondContact CA-OG 3.45Å; P397-S479 VanDerWaalsContact CB-OG 3.3Å; P397-S479 WeakPolarHBondContact CB-OG 3.28Å |
| 398 | L | 89.5 | Confident | 79.7 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 2% | 0.021 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 131.2 | 177.9 | -73 | 174.2 | 0 | 0 | 0 | 113 | L413 E414 C415 W429 Y466 C468 S479 A481 | L398-L413 HydrophobicContact CD2-CB 4.38Å; L398-E414 CarbonylContact C-O 3.57Å; L398-E414 WeakPolarHBondContact CA-O 3.44Å; L398-C415 HydrophobicContact CD2-CB 3.9Å; L398-C415 HydrophobicContact CG-CB 4.3Å; L398-W429 HydrophobicContact CD1-CZ3 4.11Å; L398-W429 HydrophobicContact CD2-CH2 3.26Å; L398-W429 HydrophobicContact CD2-CZ2 4.31Å; L398-W429 HydrophobicContact CD2-CZ3 3.53Å; L398-Y466 WeakPolarHBondContact CD1-O 2.87Å; L398-C468 HydrophobicContact CD1-CB 3.88Å; L398-C468 HydrophobicContact CD2-CB 3.94Å; L398-C468 HydrophobicContact CG-CB 4.09Å; L398-S479 WeakPolarHBondContact CD1-O 3.36Å; L398-S479 PolarHBondContact N-OG 2.96Å; L398-A481 HydrophobicContact CB-CB 3.81Å; L398-A481 HydrophobicContact CD1-CB 4.07Å |
| 399 | N | 84.5 | Confident | 81.5 | Confident | 109 Ų | 109 | 63.7 Ų | 63.7 | 58% | 0.583 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 134.9 | -179.5 | -173.5 | 45.9 | 0 | 0 | 0 | 110.5 | P397 E414 | P397-N399 PolarHBondContact O-N 3.42Å; N399-E414 PolarHBondContact N-O 3.12Å; N399-E414 PolarHBondContact O-N 3.13Å |
| 400 | P | 81 | Confident | 82.9 | Confident | 49 Ų | 49 | 67.6 Ų | 67.6 | 32% | 0.318 | 37% | 0.373 | S | S | . | . | S | Bend | cis | -66.6 | 138.1 | -9.1 | 29.6 | -33.7 | 0 | 0 | 0 | 111.9 | N402 H412 | P400-N402 VanDerWaalsContact C-N 3.31Å; P400-N402 PolarHBondContact O-N 3.41Å; P400-H412 VanDerWaalsContact CD-O 3.28Å; P400-H412 WeakPolarHBondContact CD-O 3.44Å |
| 401 | S | 69.3 | Low | 83.6 | Confident | 45 Ų | 45 | 65.2 Ų | 65.2 | 32% | 0.315 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -58.1 | -32.2 | 178.5 | 43.2 | 0 | 0 | 0 | 0 | 113.5 | H412 A481 N482 H1299 F1326 | S401-H412 PolarHBondContact OG-O 3.34Å; S401-A481 CarbonylContact O-C 3.58Å; S401-A481 WeakPolarHBondContact O-CA 3.32Å; S401-N482 PolarHBondContact O-N 3.22Å; S401-H1299 PolarHBondContact O-CE1 2.91Å; S401-F1326 WeakPolarHBondContact O-CD1 3.36Å |
| 402 | N | 72.8 | Confident | 83.9 | Confident | 80.5 Ų | 80.5 | 66.5 Ų | 66.5 | 43% | 0.43 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 129.5 | 165.1 | -73.7 | -53 | 0 | 0 | 0 | 109.5 | P400 T404 L405 N482 H1299 | P400-N402 VanDerWaalsContact C-N 3.31Å; P400-N402 PolarHBondContact O-N 3.41Å; N402-T404 PolarHBondContact O-N 3.41Å; N402-L405 HydrophobicContact CB-CD2 3.96Å; N402-N482 CarbonylContact C-O 3.52Å; N402-N482 WeakPolarHBondContact CA-O 3.18Å; N402-N482 WeakPolarHBondContact OD1-CB 3.02Å; N402-H1299 PolarHBondContact OD1-CE1 2.78Å |
| 403 | S | 75.7 | Confident | 84.1 | Confident | 45 Ų | 45 | 66.2 Ų | 66.2 | 32% | 0.315 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 65.1 | 173.4 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | L411 N482 F483 V484 | S403-L411 WeakPolarHBondContact OG-CD1 3.48Å; S403-N482 PolarHBondContact N-O 2.82Å; S403-F483 CarbonylContact O-C 3.59Å; S403-F483 VanDerWaalsContact O-CA 3.32Å; S403-F483 WeakPolarHBondContact O-CA 3.48Å; S403-F483 WeakPolarHBondContact OG-CD2 3.49Å; S403-V484 PolarHBondContact O-N 2.91Å |
| 404 | T | 83.1 | Confident | 84.1 | Confident | 92 Ų | 92 | 64.8 Ų | 64.8 | 56% | 0.564 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 118.2 | 173.5 | -4.6 | 0 | 0 | 0 | 0 | 109 | N402 V484 V486 | N402-T404 PolarHBondContact O-N 3.41Å; T404-V484 CarbonylContact C-O 3.53Å; T404-V484 VanDerWaalsContact CA-O 3.3Å; T404-V484 WeakPolarHBondContact CA-O 3.36Å; T404-V486 HydrophobicContact CG2-CG1 4.25Å; T404-V486 HydrophobicContact CG2-CG2 3.88Å |
| 405 | L | 82.4 | Confident | 84.1 | Confident | 28 Ų | 28 | 63.2 Ų | 63.2 | 15% | 0.147 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 154.9 | -179.6 | -66.5 | 177.6 | 0 | 0 | 0 | 110.5 | N402 S409 L411 V458 F483 V484 C485 V486 | N402-L405 HydrophobicContact CB-CD2 3.96Å; L405-S409 WeakPolarHBondContact CB-OG 3.37Å; L405-L411 HydrophobicContact CD1-CB 3.72Å; L405-L411 HydrophobicContact CD1-CD1 3.74Å; L405-L411 HydrophobicContact CD1-CG 4.32Å; L405-V458 HydrophobicContact CD1-CG1 4.37Å; L405-V458 HydrophobicContact CD1-CG2 4.31Å; L405-F483 HydrophobicContact CB-CD2 4.45Å; L405-F483 HydrophobicContact CB-CE2 3.49Å; L405-F483 VanDerWaalsContact CB-CE2 3.49Å; L405-F483 HydrophobicContact CB-CZ 3.99Å; L405-F483 HydrophobicContact CD1-CD2 4.04Å; L405-F483 HydrophobicContact CD1-CE2 3.89Å; L405-F483 HydrophobicContact CD1-CZ 4.22Å; L405-F483 HydrophobicContact CG-CD2 4.28Å; L405-F483 HydrophobicContact CG-CE2 3.49Å; L405-F483 VanDerWaalsContact CG-CE2 3.49Å; L405-F483 HydrophobicContact CG-CZ 4.37Å; L405-V484 PolarHBondContact N-O 2.97Å; L405-C485 CarbonylContact O-C 3.54Å; L405-C485 VanDerWaalsContact O-CA 3.28Å; L405-C485 WeakPolarHBondContact O-CA 3.33Å; L405-V486 VanDerWaalsContact O-CG2 3.28Å; L405-V486 WeakPolarHBondContact O-CG2 3.3Å; L405-V486 PolarHBondContact O-N 3.08Å |
| 406 | T | 81.6 | Confident | 84.2 | Confident | 76.5 Ų | 76.5 | 60.2 Ų | 60.2 | 47% | 0.469 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 156.2 | 170 | 53.4 | 0 | 0 | 0 | 0 | 110.9 | S409 V486 | T406-S409 PolarHBondContact N-OG 2.71Å; T406-S409 WeakPolarHBondContact O-CB 3.37Å; T406-S409 PolarHBondContact O-N 3.08Å; T406-S409 VanDerWaalsContact O-N 3.1Å; T406-S409 PolarHBondContact O-OG 3.05Å; T406-S409 PolarHBondContact OG1-OG 3.01Å; T406-S409 VanDerWaalsContact OG1-OG 3.11Å; T406-V486 VanDerWaalsContact CA-O 3.31Å; T406-V486 WeakPolarHBondContact CA-O 3.38Å; T406-V486 HydrophobicContact CG2-CG2 4.31Å |
| 407 | E | 80.7 | Confident | 84.2 | Confident | 66 Ų | 66 | 52.8 Ų | 52.8 | 31% | 0.308 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 141.5 | 171.8 | -171.4 | 166.5 | -165.9 | 0 | 0 | 111.7 | S409 V458 Y459 V486 S487 | E407-S409 PolarHBondContact O-N 3.25Å; E407-V458 CarbonylContact C-O 3.53Å; E407-V458 VanDerWaalsContact CA-O 3.3Å; E407-V458 WeakPolarHBondContact CA-O 3.42Å; E407-Y459 HydrophobicContact CG-CD1 4.09Å; E407-V486 PolarHBondContact N-O 3.18Å; E407-S487 VanDerWaalsContact OE2-CB 3.29Å; E407-S487 WeakPolarHBondContact OE2-CB 3.39Å; E407-S487 PolarHBondContact OE2-OG 3.4Å |
| 408 | N | 78.2 | Confident | 83.9 | Confident | 107.5 Ų | 107.5 | 50 Ų | 50 | 58% | 0.575 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 6.9 | -171.6 | -65.5 | -46.1 | 0 | 0 | 0 | 117.1 | V458 | N408-V458 PolarHBondContact N-O 3.03Š|
| 409 | S | 83.2 | Confident | 83.6 | Confident | 28 Ų | 28 | 50.9 Ų | 50.9 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | trans | -68.4 | 169.5 | 168.8 | 4.4 | 0 | 0 | 0 | 0 | 112.1 | L405 T406 E407 G457 V458 | L405-S409 WeakPolarHBondContact CB-OG 3.37Å; T406-S409 PolarHBondContact N-OG 2.71Å; T406-S409 WeakPolarHBondContact O-CB 3.37Å; T406-S409 PolarHBondContact O-N 3.08Å; T406-S409 VanDerWaalsContact O-N 3.1Å; T406-S409 PolarHBondContact O-OG 3.05Å; T406-S409 PolarHBondContact OG1-OG 3.01Å; T406-S409 VanDerWaalsContact OG1-OG 3.11Å; E407-S409 PolarHBondContact O-N 3.25Å; S409-G457 WeakPolarHBondContact O-CA 3.29Å; S409-G457 PolarHBondContact O-N 3.14Å; S409-V458 WeakPolarHBondContact O-CB 3.26Å; S409-V458 WeakPolarHBondContact O-CG2 3.32Å; S409-V458 PolarHBondContact O-N 2.77Å | ||
| 410 | R | 85.5 | Confident | 83.1 | Confident | 155 Ų | 155 | 48.3 Ų | 48.3 | 59% | 0.585 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 129.2 | 170.5 | -177.6 | 178.6 | 178 | 177.1 | -1.1 | 109.6 | D454 V455 | R410-D454 IonicContact CZ-OD1 2.93Å; R410-D454 VanDerWaalsContact CZ-OD1 3.25Å; R410-D454 IonicContact CZ-OD2 3.31Å; R410-D454 IonicContact NE-OD1 3.18Å; R410-D454 PolarHBondContact NE-OD1 3.41Å; R410-D454 IonicContact NE-OD2 3.15Å; R410-D454 IonicContact NH2-OD1 3.09Å; R410-D454 PolarHBondContact NH2-OD1 3.01Å; R410-D454 IonicContact NH2-OD2 3.69Å; R410-D454 PolarHBondContact NH2-OD2 3Å; R410-V455 VanDerWaalsContact CA-O 3.31Å; R410-V455 WeakPolarHBondContact CA-O 3.37Å |
| 411 | L | 87.6 | Confident | 82.3 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 133.7 | 168.5 | 177.3 | 71.4 | 0 | 0 | 0 | 109 | S403 L405 L413 D454 V455 V458 Y466 F483 | S403-L411 WeakPolarHBondContact OG-CD1 3.48Å; L405-L411 HydrophobicContact CD1-CB 3.72Å; L405-L411 HydrophobicContact CD1-CD1 3.74Å; L405-L411 HydrophobicContact CD1-CG 4.32Å; L411-L413 HydrophobicContact CD1-CD2 4.06Å; L411-L413 HydrophobicContact CD1-CG 4.26Å; L411-L413 HydrophobicContact CD2-CD1 4.06Å; L411-L413 HydrophobicContact CD2-CD2 4.25Å; L411-L413 HydrophobicContact CD2-CG 4.05Å; L411-L413 HydrophobicContact CG-CD2 4.24Å; L411-L413 HydrophobicContact CG-CG 4.06Å; L411-D454 CarbonylContact O-C 3.51Å; L411-D454 WeakPolarHBondContact O-CA 3.4Å; L411-V455 HydrophobicContact CB-CB 3.99Å; L411-V455 HydrophobicContact CB-CG2 4.19Å; L411-V455 HydrophobicContact CD2-CB 4.43Å; L411-V455 HydrophobicContact CD2-CG2 3.86Å; L411-V455 HydrophobicContact CG-CG2 4.41Å; L411-V455 PolarHBondContact N-O 3.25Å; L411-V455 PolarHBondContact O-N 3.02Å; L411-V458 HydrophobicContact CB-CG2 3.82Å; L411-Y466 HydrophobicContact CD2-CE1 4.31Å; L411-Y466 HydrophobicContact CD2-CE2 4.09Å; L411-F483 HydrophobicContact CD1-CD1 3.74Å; L411-F483 HydrophobicContact CD1-CD2 4.24Å; L411-F483 HydrophobicContact CD1-CE1 4.03Å; L411-F483 HydrophobicContact CD1-CG 4.13Å; L411-F483 HydrophobicContact CD2-CB 3.97Å; L411-F483 HydrophobicContact CD2-CD1 3.83Å; L411-F483 HydrophobicContact CD2-CD2 4.12Å; L411-F483 HydrophobicContact CD2-CE1 3.23Å; L411-F483 HydrophobicContact CD2-CG 3.65Å; L411-F483 HydrophobicContact CD2-CZ 3.84Å; L411-F483 HydrophobicContact CG-CD1 4.38Å; L411-F483 HydrophobicContact CG-CE1 4.19Å |
| 412 | H | 90.3 | Very high | 82.5 | Confident | 70 Ų | 70 | 51.1 Ų | 51.1 | 32% | 0.324 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125.5 | 166.1 | -168.6 | 77.3 | 0 | 0 | 0 | 108.7 | P400 S401 E414 D454 | P400-H412 VanDerWaalsContact CD-O 3.28Å; P400-H412 WeakPolarHBondContact CD-O 3.44Å; S401-H412 PolarHBondContact OG-O 3.34Å; H412-E414 IonicContact CD2-OE2 3.91Å; H412-E414 IonicContact NE2-OE2 2.75Å; H412-D454 IonicContact CE1-OD1 3.13Å; H412-D454 IonicContact CE1-OD2 3.77Å; H412-D454 IonicContact CG-OD1 3.67Å; H412-D454 VanDerWaalsContact ND1-CG 3.34Å; H412-D454 IonicContact ND1-OD1 3.59Å; H412-D454 PolarHBondContact ND1-OD1 3.13Å; H412-D454 IonicContact ND1-OD2 2.69Å |
| 413 | L | 90.4 | Very high | 82.3 | Confident | 0.5 Ų | 0.5 | 53.1 Ų | 53.1 | 0% | 0.003 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 132.5 | 173.3 | -64 | 176.3 | 0 | 0 | 0 | 108.7 | L398 L411 W429 S452 L453 Y466 A481 | L398-L413 HydrophobicContact CD2-CB 4.38Å; L411-L413 HydrophobicContact CD1-CD2 4.06Å; L411-L413 HydrophobicContact CD1-CG 4.26Å; L411-L413 HydrophobicContact CD2-CD1 4.06Å; L411-L413 HydrophobicContact CD2-CD2 4.25Å; L411-L413 HydrophobicContact CD2-CG 4.05Å; L411-L413 HydrophobicContact CG-CD2 4.24Å; L411-L413 HydrophobicContact CG-CG 4.06Å; L413-W429 HydrophobicContact CB-CH2 3.89Å; L413-W429 HydrophobicContact CB-CZ3 3.92Å; L413-W429 HydrophobicContact CD1-CZ3 4.07Å; L413-S452 CarbonylContact O-C 3.43Å; L413-S452 WeakPolarHBondContact O-CA 3.22Å; L413-S452 VanDerWaalsContact O-CB 3.27Å; L413-S452 WeakPolarHBondContact O-CB 3.37Å; L413-L453 HydrophobicContact CB-CB 4.48Å; L413-L453 HydrophobicContact CD1-CD2 4.49Å; L413-L453 PolarHBondContact N-O 2.76Å; L413-L453 PolarHBondContact O-N 3.41Å; L413-Y466 VanDerWaalsContact CD1-CB 3.43Å; L413-Y466 HydrophobicContact CD1-CD1 3.71Å; L413-Y466 HydrophobicContact CD1-CD2 4.16Å; L413-Y466 HydrophobicContact CD1-CG 3.6Å; L413-A481 HydrophobicContact CD2-CB 3.88Å |
| 414 | E | 91.5 | Very high | 82.3 | Confident | 53.5 Ų | 53.5 | 53.8 Ų | 53.8 | 25% | 0.25 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 151.4 | -177.5 | 127.9 | -162.5 | -162.8 | 0 | 0 | 112.1 | L398 N399 H412 F450 A451 L1328 | L398-E414 CarbonylContact C-O 3.57Å; L398-E414 WeakPolarHBondContact CA-O 3.44Å; N399-E414 PolarHBondContact N-O 3.12Å; N399-E414 PolarHBondContact O-N 3.13Å; H412-E414 IonicContact CD2-OE2 3.91Å; H412-E414 IonicContact NE2-OE2 2.75Å; E414-F450 HydrophobicContact CG-CD1 4.39Å; E414-A451 CarbonylContact C-O 3.47Å; E414-A451 WeakPolarHBondContact CA-O 3.3Å; E414-L1328 HydrophobicContact CG-CD1 3.91Å; E414-L1328 WeakPolarHBondContact OE1-CD1 3.42Å; E414-L1328 WeakPolarHBondContact OE1-CD2 3.47Å; E414-L1328 WeakPolarHBondContact OE2-CD2 3.1Å |
| 415 | C | 90.7 | Very high | 82.3 | Confident | 1.5 Ų | 1.5 | 50.2 Ų | 50.2 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 152.6 | 173.9 | 55.5 | 0 | 0 | 0 | 0 | 112.3 | F394 R396 L398 F450 A451 | F394-C415 HydrophobicContact CD1-CB 3.92Å; F394-C415 HydrophobicContact CE1-CB 4.1Å; R396-C415 WeakPolarHBondContact O-CA 3.39Å; R396-C415 VanDerWaalsContact O-CB 3.26Å; R396-C415 WeakPolarHBondContact O-CB 3.37Å; L398-C415 HydrophobicContact CD2-CB 3.9Å; L398-C415 HydrophobicContact CG-CB 4.3Å; C415-F450 CarbonylContact O-C 3.54Å; C415-F450 VanDerWaalsContact O-CA 3.29Å; C415-F450 WeakPolarHBondContact O-CA 3.39Å; C415-A451 PolarHBondContact N-O 2.97Å; C415-A451 PolarHBondContact O-N 3.23Å; C415-A451 PolarHBondContact SG-O 2.85Å |
| 416 | E | 90.3 | Very high | 82.3 | Confident | 13 Ų | 13 | 50.8 Ų | 50.8 | 6% | 0.061 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136.7 | 175.5 | -173.9 | -176.9 | 173.6 | 0 | 0 | 109.4 | F394 V395 R396 K420 G449 F450 Q1275 R1278 | F394-E416 CarbonylContact C-O 3.57Å; F394-E416 WeakPolarHBondContact CA-O 3.36Å; V395-E416 HydrophobicContact CB-CB 4.08Å; V395-E416 HydrophobicContact CB-CG 3.88Å; V395-E416 HydrophobicContact CG1-CG 4.19Å; V395-E416 HydrophobicContact CG2-CG 4.49Å; V395-E416 PolarHBondContact N-O 2.88Å; R396-E416 HydrophobicContact CB-CB 3.75Å; R396-E416 HydrophobicContact CG-CB 4.04Å; R396-E416 IonicContact CZ-OE2 3.97Å; R396-E416 PolarHBondContact N-O 3.01Å; R396-E416 IonicContact NE-OE2 3.48Å; R396-E416 PolarHBondContact NE-OE2 2.99Å; R396-E416 PolarHBondContact O-N 2.83Å; E416-K420 WeakPolarHBondContact OE1-CE 3.25Å; E416-K420 IonicContact OE1-NZ 3.01Å; E416-K420 PolarHBondContact OE1-NZ 2.99Å; E416-G449 CarbonylContact C-O 3.56Å; E416-G449 VanDerWaalsContact CA-O 3.26Å; E416-G449 WeakPolarHBondContact CA-O 3.28Å; E416-F450 HydrophobicContact CB-CD1 3.96Å; E416-F450 HydrophobicContact CB-CE1 3.68Å; E416-F450 VanDerWaalsContact CB-CE1 3.42Å; E416-F450 HydrophobicContact CB-CZ 4.33Å; E416-F450 HydrophobicContact CG-CD1 4.16Å; E416-F450 HydrophobicContact CG-CE1 3.62Å; E416-F450 HydrophobicContact CG-CZ 3.92Å; E416-Q1275 PolarHBondContact OE2-NE2 3.41Å; E416-R1278 IonicContact OE1-CZ 2.99Å; E416-R1278 IonicContact OE1-NE 2.98Å; E416-R1278 PolarHBondContact OE1-NE 2.99Å; E416-R1278 IonicContact OE1-NH2 2.74Å; E416-R1278 PolarHBondContact OE1-NH2 3.19Å |
| 417 | V | 89.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 149.3 | -172.1 | -41.5 | 0 | 0 | 0 | 0 | 112.2 | V393 F394 Y446 G449 A451 L470 | V393-V417 CarbonylContact O-C 3.52Å; V393-V417 WeakPolarHBondContact O-CA 3.46Å; F394-V417 HydrophobicContact CD1-CG1 4.33Å; F394-V417 HydrophobicContact CE1-CG1 4.44Å; V417-Y446 HydrophobicContact CG2-CE2 3.8Å; V417-G449 PolarHBondContact N-O 3.12Å; V417-A451 HydrophobicContact CG1-CB 4.47Å; V417-L470 HydrophobicContact CB-CD1 3.7Å; V417-L470 HydrophobicContact CB-CD2 4.45Å; V417-L470 HydrophobicContact CG1-CD1 3.36Å; V417-L470 VanDerWaalsContact CG1-CD1 3.41Å; V417-L470 HydrophobicContact CG1-CD2 3.77Å; V417-L470 HydrophobicContact CG1-CG 4.19Å |
| 418 | A | 83.4 | Confident | 82.9 | Confident | 23 Ų | 23 | 48.1 Ų | 48.1 | 19% | 0.19 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 146.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | P392 V393 V395 | P392-A418 CarbonylContact C-O 3.58Å; P392-A418 WeakPolarHBondContact CA-O 3.49Å; V393-A418 PolarHBondContact N-O 2.75Å; V393-A418 PolarHBondContact O-N 2.81Å; V395-A418 HydrophobicContact CG2-CB 3.55Å |
| 419 | P | 83.7 | Confident | 83.4 | Confident | 24 Ų | 24 | 43.8 Ų | 43.8 | 16% | 0.156 | 23% | 0.229 | C | C | . | . | S | Bend | cis | -67.7 | 143.2 | -2.2 | 8.8 | -5.8 | 0 | 0 | 0 | 112.9 | Q421 D422 M425 | P419-Q421 VanDerWaalsContact C-N 3.27Å; P419-Q421 PolarHBondContact O-N 3.23Å; P419-D422 HydrophobicContact CB-CB 4.26Å; P419-D422 HydrophobicContact CG-CB 3.94Å; P419-M425 HydrophobicContact CG-CE 4.22Å |
| 420 | K | 75.1 | Confident | 83.7 | Confident | 54.5 Ų | 54.5 | 44.1 Ų | 44.1 | 24% | 0.237 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 63.8 | 173.8 | -65.1 | -168.5 | 171.2 | -174.3 | 0 | 110.9 | E416 D422 F448 H1290 | E416-K420 WeakPolarHBondContact OE1-CE 3.25Å; E416-K420 IonicContact OE1-NZ 3.01Å; E416-K420 PolarHBondContact OE1-NZ 2.99Å; K420-D422 VanDerWaalsContact C-N 3.33Å; K420-D422 PolarHBondContact O-N 3.26Å; K420-F448 WeakPolarHBondContact CD-O 3.28Å; K420-H1290 PolarHBondContact NZ-O 3.23Å |
| 421 | Q | 63.2 | Low | 83.8 | Confident | 127.5 Ų | 127.5 | 38.7 Ų | 38.7 | 60% | 0.596 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 146.1 | 38.1 | -174.2 | -61.1 | 175 | -5.9 | 0 | 0 | 113.2 | P419 S423 P793 | P419-Q421 VanDerWaalsContact C-N 3.27Å; P419-Q421 PolarHBondContact O-N 3.23Å; Q421-S423 PolarHBondContact O-N 3.04Å; Q421-P793 VanDerWaalsContact NE2-CD 3.33Å |
| 422 | D | 73.4 | Confident | 83.8 | Confident | 25 Ų | 25 | 43.2 Ų | 43.2 | 13% | 0.134 | 23% | 0.232 | C | C | . | . | trans | -93.5 | 108.5 | 170.3 | -173.2 | -17.4 | 0 | 0 | 0 | 110.2 | P419 K420 T424 M425 N472 | P419-D422 HydrophobicContact CB-CB 4.26Å; P419-D422 HydrophobicContact CG-CB 3.94Å; K420-D422 VanDerWaalsContact C-N 3.33Å; K420-D422 PolarHBondContact O-N 3.26Å; D422-T424 PolarHBondContact O-N 3.29Å; D422-T424 VanDerWaalsContact O-N 3.15Å; D422-T424 WeakPolarHBondContact OD1-CA 3.25Å; D422-T424 WeakPolarHBondContact OD1-CB 3.38Å; D422-T424 PolarHBondContact OD1-N 3.06Å; D422-T424 PolarHBondContact OD1-OG1 3.09Å; D422-T424 PolarHBondContact OD2-OG1 2.77Å; D422-M425 HydrophobicContact CB-CB 4.33Å; D422-M425 HydrophobicContact CB-CE 4.36Å; D422-M425 VanDerWaalsContact O-CB 3.25Å; D422-M425 WeakPolarHBondContact O-CB 3.13Å; D422-M425 PolarHBondContact O-N 3.31Å; D422-M425 VanDerWaalsContact O-N 3.14Å; D422-N472 VanDerWaalsContact OD2-CB 3.25Å; D422-N472 WeakPolarHBondContact OD2-CB 3.42Å; D422-N472 PolarHBondContact OD2-ND2 2.98Å | ||
| 423 | S | 68.3 | Low | 83.4 | Confident | 122 Ų | 122 | 42 Ų | 42 | 85% | 0.853 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -8.1 | 178.7 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | Q421 | Q421-S423 PolarHBondContact O-N 3.04Š|
| 424 | T | 77 | Confident | 82.8 | Confident | 60 Ų | 60 | 45.1 Ų | 45.1 | 37% | 0.368 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -0.9 | 172.9 | 71.8 | 0 | 0 | 0 | 0 | 113.3 | D422 N472 S473 | D422-T424 PolarHBondContact O-N 3.29Å; D422-T424 VanDerWaalsContact O-N 3.15Å; D422-T424 WeakPolarHBondContact OD1-CA 3.25Å; D422-T424 WeakPolarHBondContact OD1-CB 3.38Å; D422-T424 PolarHBondContact OD1-N 3.06Å; D422-T424 PolarHBondContact OD1-OG1 3.09Å; D422-T424 PolarHBondContact OD2-OG1 2.77Å; T424-N472 WeakPolarHBondContact O-CA 3.41Å; T424-S473 PolarHBondContact OG1-N 3.18Å; T424-S473 PolarHBondContact OG1-OG 3.02Å |
| 425 | M | 81.8 | Confident | 82.3 | Confident | 16 Ų | 16 | 44.3 Ų | 44.3 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | trans | -70.2 | 132.1 | 179.7 | -166.7 | 68.9 | 71.1 | 0 | 0 | 112 | P392 P419 D422 V427 Y446 L470 T471 N472 | P392-M425 HydrophobicContact CB-CE 3.79Å; P392-M425 HydrophobicContact CB-SD 3.72Å; P419-M425 HydrophobicContact CG-CE 4.22Å; D422-M425 HydrophobicContact CB-CB 4.33Å; D422-M425 HydrophobicContact CB-CE 4.36Å; D422-M425 VanDerWaalsContact O-CB 3.25Å; D422-M425 WeakPolarHBondContact O-CB 3.13Å; D422-M425 PolarHBondContact O-N 3.31Å; D422-M425 VanDerWaalsContact O-N 3.14Å; M425-V427 HydrophobicContact CG-CG2 4.5Å; M425-Y446 HydrophobicContact CB-CE1 4.28Å; M425-Y446 WeakPolarHBondContact CB-OH 3.45Å; M425-Y446 HydrophobicContact CG-CE1 4.22Å; M425-Y446 VanDerWaalsContact CG-OH 3.3Å; M425-Y446 WeakPolarHBondContact CG-OH 3.3Å; M425-L470 HydrophobicContact SD-CB 4.09Å; M425-T471 CarbonylContact C-O 3.57Å; M425-T471 WeakPolarHBondContact CA-O 3.21Å; M425-N472 HydrophobicContact CE-CB 4.28Å; M425-N472 HydrophobicContact SD-CB 4.13Å | ||
| 426 | T | 82.7 | Confident | 82 | Confident | 41 Ų | 41 | 45.2 Ų | 45.2 | 25% | 0.252 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.1 | 174.6 | 62.1 | 0 | 0 | 0 | 0 | 109.8 | L470 T471 | T426-L470 CarbonylContact O-C 3.54Å; T426-L470 WeakPolarHBondContact O-CA 3.42Å; T426-T471 PolarHBondContact N-O 3.02Å; T426-T471 PolarHBondContact O-N 3.16Å; T426-T471 WeakPolarHBondContact OG1-CB 3.41Å; T426-T471 PolarHBondContact OG1-O 3.15Å |
| 427 | V | 88.3 | Confident | 81 | Confident | 35 Ų | 35 | 48.5 Ų | 48.5 | 21% | 0.212 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.9 | -176.4 | -179.8 | 0 | 0 | 0 | 0 | 110 | M425 Y446 A451 V469 L470 | M425-V427 HydrophobicContact CG-CG2 4.5Å; V427-Y446 HydrophobicContact CB-CD2 4.46Å; V427-Y446 HydrophobicContact CB-CG 4.14Å; V427-Y446 HydrophobicContact CG2-CD1 3.71Å; V427-Y446 HydrophobicContact CG2-CD2 3.42Å; V427-Y446 VanDerWaalsContact CG2-CD2 3.49Å; V427-Y446 HydrophobicContact CG2-CE1 4.09Å; V427-Y446 HydrophobicContact CG2-CE2 3.84Å; V427-Y446 HydrophobicContact CG2-CG 3.35Å; V427-Y446 VanDerWaalsContact CG2-CG 3.41Å; V427-A451 HydrophobicContact CG1-CB 3.61Å; V427-A451 VanDerWaalsContact CG1-CB 3.47Å; V427-A451 HydrophobicContact CG2-CB 4.31Å; V427-V469 CarbonylContact C-O 3.53Å; V427-V469 WeakPolarHBondContact CA-O 3.25Å; V427-L470 HydrophobicContact CB-CD2 4.35Å; V427-L470 HydrophobicContact CG1-CD2 4.22Å; V427-L470 HydrophobicContact CG2-CD2 3.66Å |
| 428 | Q | 86.9 | Confident | 80.2 | Confident | 50.5 Ų | 50.5 | 53.7 Ų | 53.7 | 24% | 0.236 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 125.3 | -169.7 | -70 | -178.3 | -18.8 | 0 | 0 | 111.3 | F430 C468 V469 | Q428-F430 HydrophobicContact CB-CE2 3.68Å; Q428-F430 HydrophobicContact CB-CZ 4.2Å; Q428-C468 CarbonylContact O-C 3.49Å; Q428-C468 WeakPolarHBondContact O-CA 3.35Å; Q428-V469 HydrophobicContact CB-CB 4.29Å; Q428-V469 PolarHBondContact N-O 3.33Å; Q428-V469 PolarHBondContact O-N 3.3Å |
| 429 | W | 89.2 | Confident | 79.4 | Confident | 17 Ų | 17 | 54.4 Ų | 54.4 | 6% | 0.064 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 141 | -178.6 | -69.3 | 91.2 | 0 | 0 | 0 | 112.3 | L398 L413 P435 I436 A451 S452 L453 T467 C468 | L398-W429 HydrophobicContact CD1-CZ3 4.11Å; L398-W429 HydrophobicContact CD2-CH2 3.26Å; L398-W429 HydrophobicContact CD2-CZ2 4.31Å; L398-W429 HydrophobicContact CD2-CZ3 3.53Å; L413-W429 HydrophobicContact CB-CH2 3.89Å; L413-W429 HydrophobicContact CB-CZ3 3.92Å; L413-W429 HydrophobicContact CD1-CZ3 4.07Å; W429-P435 WeakPolarHBondContact O-CA 3.32Å; W429-I436 HydrophobicContact CB-CD1 4.22Å; W429-I436 PolarHBondContact O-N 2.83Å; W429-A451 HydrophobicContact CZ2-CB 4.44Å; W429-S452 WeakPolarHBondContact CZ2-O 3.44Å; W429-S452 PolarHBondContact NE1-O 2.81Å; W429-L453 HydrophobicContact CB-CD2 4.38Å; W429-L453 HydrophobicContact CD2-CB 3.72Å; W429-L453 HydrophobicContact CD2-CD2 3.97Å; W429-L453 HydrophobicContact CD2-CG 4.37Å; W429-L453 HydrophobicContact CE3-CB 3.76Å; W429-L453 HydrophobicContact CE3-CD2 3.65Å; W429-L453 HydrophobicContact CE3-CG 4.34Å; W429-L453 HydrophobicContact CG-CB 4.43Å; W429-L453 HydrophobicContact CG-CD2 4.34Å; W429-L453 HydrophobicContact CH2-CB 3.66Å; W429-L453 HydrophobicContact CZ2-CB 3.68Å; W429-L453 HydrophobicContact CZ3-CB 3.72Å; W429-L453 HydrophobicContact CZ3-CD2 4.13Å; W429-T467 CarbonylContact C-O 3.45Å; W429-T467 WeakPolarHBondContact CA-O 3.39Å; W429-C468 HydrophobicContact CD2-CB 4.33Å; W429-C468 HydrophobicContact CE3-CB 4.13Å; W429-C468 HydrophobicContact CH2-CB 4.2Å; W429-C468 HydrophobicContact CZ2-CB 4.32Å; W429-C468 HydrophobicContact CZ3-CB 4.09Å |
| 430 | F | 89.6 | Confident | 78.4 | Confident | 34.5 Ų | 34.5 | 60.5 Ų | 60.5 | 15% | 0.151 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 153.1 | 174.8 | -56.4 | -103.6 | 0 | 0 | 0 | 110.6 | Q428 M434 P435 Y466 T467 V469 | Q428-F430 HydrophobicContact CB-CE2 3.68Å; Q428-F430 HydrophobicContact CB-CZ 4.2Å; F430-M434 CarbonylContact C-O 3.51Å; F430-M434 WeakPolarHBondContact CA-O 3.29Å; F430-M434 WeakPolarHBondContact CB-O 3.38Å; F430-P435 HydrophobicContact CD1-CB 4.32Å; F430-P435 HydrophobicContact CE1-CB 4.38Å; F430-Y466 CarbonylContact O-C 3.57Å; F430-Y466 WeakPolarHBondContact O-CA 3.35Å; F430-T467 PolarHBondContact N-O 2.89Å; F430-T467 PolarHBondContact O-N 3.19Å; F430-V469 HydrophobicContact CD2-CG2 3.95Å; F430-V469 HydrophobicContact CE2-CB 4.08Å; F430-V469 HydrophobicContact CE2-CG2 3.53Å |
| 431 | K | 87.8 | Confident | 78.9 | Confident | 43 Ų | 43 | 60.7 Ų | 60.7 | 19% | 0.187 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 118.7 | 169.3 | 172.1 | -173.7 | 175.3 | -167.8 | 0 | 107.1 | G433 M434 I436 E461 D462 T465 Y466 | K431-G433 PolarHBondContact O-N 3.35Å; K431-G433 VanDerWaalsContact O-N 3.17Å; K431-M434 PolarHBondContact N-O 2.93Å; K431-M434 WeakPolarHBondContact O-CB 3.2Å; K431-M434 PolarHBondContact O-N 3.2Å; K431-I436 HydrophobicContact CB-CD1 3.85Å; K431-I436 HydrophobicContact CB-CG1 3.72Å; K431-E461 VanDerWaalsContact CE-O 3.24Å; K431-E461 WeakPolarHBondContact CE-O 3.34Å; K431-E461 PolarHBondContact NZ-O 3.17Å; K431-D462 WeakPolarHBondContact CE-O 3.43Å; K431-D462 VanDerWaalsContact NZ-CA 3.32Å; K431-D462 IonicContact NZ-OD1 3.29Å; K431-D462 PolarHBondContact NZ-OD1 3.08Å; K431-T465 CarbonylContact C-O 3.55Å; K431-T465 WeakPolarHBondContact CA-O 3.22Å; K431-Y466 HydrophobicContact CB-CD1 4.47Å; K431-Y466 HydrophobicContact CB-CD2 4.37Å; K431-Y466 HydrophobicContact CB-CE1 4.33Å; K431-Y466 HydrophobicContact CB-CE2 4.09Å; K431-Y466 HydrophobicContact CD-CE1 4.47Å; K431-Y466 HydrophobicContact CD-CE2 4.09Å; K431-Y466 WeakPolarHBondContact CD-OH 3.19Å; K431-Y466 HydrophobicContact CG-CD2 4.28Å; K431-Y466 HydrophobicContact CG-CE1 4.42Å; K431-Y466 HydrophobicContact CG-CE2 3.98Å |
| 432 | N | 86.1 | Confident | 80.1 | Confident | 96 Ų | 96 | 55.7 Ų | 55.7 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 37.7 | -176.1 | -58.9 | -36.7 | 0 | 0 | 0 | 113.3 | M434 S463 G464 T465 | N432-M434 VanDerWaalsContact C-N 3.32Å; N432-M434 PolarHBondContact O-N 2.88Å; N432-S463 PolarHBondContact ND2-O 3.12Å; N432-G464 VanDerWaalsContact OD1-CA 3.23Å; N432-G464 WeakPolarHBondContact OD1-CA 3.4Å; N432-T465 PolarHBondContact N-O 3.12Å; N432-T465 PolarHBondContact OD1-N 3.43Å |
| 433 | G | 81.4 | Confident | 80.6 | Confident | 44.5 Ų | 44.5 | 58.3 Ų | 58.3 | 46% | 0.459 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | -0.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | K431 | K431-G433 PolarHBondContact O-N 3.35Å; K431-G433 VanDerWaalsContact O-N 3.17Å |
| 434 | M | 79.2 | Confident | 81.5 | Confident | 65 Ų | 65 | 54.6 Ų | 54.6 | 32% | 0.32 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 133.3 | 175.1 | -61.9 | -55.7 | -66.5 | 0 | 0 | 110.8 | F430 K431 N432 I436 N931 | F430-M434 CarbonylContact C-O 3.51Å; F430-M434 WeakPolarHBondContact CA-O 3.29Å; F430-M434 WeakPolarHBondContact CB-O 3.38Å; K431-M434 PolarHBondContact N-O 2.93Å; K431-M434 WeakPolarHBondContact O-CB 3.2Å; K431-M434 PolarHBondContact O-N 3.2Å; N432-M434 VanDerWaalsContact C-N 3.32Å; N432-M434 PolarHBondContact O-N 2.88Å; M434-I436 PolarHBondContact O-N 2.85Å; M434-N931 WeakPolarHBondContact CE-O 2.68Å; M434-N931 HydrophobicContact SD-CB 4.17Å |
| 435 | P | 81.2 | Confident | 82 | Confident | 37 Ų | 37 | 57 Ų | 57 | 24% | 0.24 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 140.2 | 179.2 | 25.8 | -33.7 | 0 | 0 | 0 | 111.4 | W429 F430 | W429-P435 WeakPolarHBondContact O-CA 3.32Å; F430-P435 HydrophobicContact CD1-CB 4.32Å; F430-P435 HydrophobicContact CE1-CB 4.38Å |
| 436 | I | 83.2 | Confident | 82.1 | Confident | 20.5 Ų | 20.5 | 59.7 Ų | 59.7 | 11% | 0.105 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -86.1 | 125.5 | -177.9 | -59.9 | 177.4 | 0 | 0 | 0 | 109.5 | W429 K431 M434 T438 F442 L453 Y466 | W429-I436 HydrophobicContact CB-CD1 4.22Å; W429-I436 PolarHBondContact O-N 2.83Å; K431-I436 HydrophobicContact CB-CD1 3.85Å; K431-I436 HydrophobicContact CB-CG1 3.72Å; M434-I436 PolarHBondContact O-N 2.85Å; I436-T438 PolarHBondContact O-N 2.83Å; I436-F442 HydrophobicContact CG2-CB 3.65Å; I436-F442 HydrophobicContact CG2-CD1 3.44Å; I436-F442 VanDerWaalsContact CG2-CD1 3.44Å; I436-F442 HydrophobicContact CG2-CD2 4.2Å; I436-F442 HydrophobicContact CG2-CE1 4.14Å; I436-F442 HydrophobicContact CG2-CG 3.5Å; I436-F442 VanDerWaalsContact CG2-CG 3.47Å; I436-L453 HydrophobicContact CD1-CD2 3.49Å; I436-L453 VanDerWaalsContact CD1-CD2 3.49Å; I436-Y466 HydrophobicContact CD1-CD1 3.44Å; I436-Y466 VanDerWaalsContact CD1-CD1 3.44Å; I436-Y466 HydrophobicContact CD1-CE1 3.5Å; I436-Y466 VanDerWaalsContact CD1-CE1 3.45Å; I436-Y466 HydrophobicContact CD1-CG 4.42Å |
| 437 | P | 70.8 | Confident | 81.7 | Confident | 81.5 Ų | 81.5 | 60.7 Ų | 60.7 | 53% | 0.529 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 123.4 | 175.6 | 28.6 | -32.2 | 0 | 0 | 0 | 110.9 | F442 | P437-F442 WeakPolarHBondContact O-CB 3.32Š|
| 438 | T | 72.6 | Confident | 81.1 | Confident | 109.5 Ų | 109.5 | 60.7 Ų | 60.7 | 67% | 0.672 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 134 | 173.2 | -52 | 0 | 0 | 0 | 0 | 110.9 | I436 P444 | I436-T438 PolarHBondContact O-N 2.83Å; T438-P444 HydrophobicContact CG2-CG 4.12Å |
| 439 | G | 65.7 | Low | 80.8 | Confident | 38.5 Ų | 38.5 | 58.3 Ų | 58.3 | 40% | 0.397 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -176.9 | -163.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R441 F442 K443 | G439-R441 VanDerWaalsContact C-N 3.26Å; G439-R441 PolarHBondContact O-N 2.86Å; G439-F442 PolarHBondContact N-O 2.87Å; G439-F442 CarbonylContact O-C 3.57Å; G439-F442 VanDerWaalsContact O-O 3.07Å; G439-K443 WeakPolarHBondContact O-CG 3.09Å |
| 440 | H | 63.5 | Low | 80.7 | Confident | 153 Ų | 153 | 58.8 Ų | 58.8 | 71% | 0.708 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -63 | -35.5 | -177.9 | 130.6 | -84.9 | 0 | 0 | 0 | 113.2 | K443 | H440-K443 VanDerWaalsContact O-CE 3.25Å; H440-K443 WeakPolarHBondContact O-CE 3.3Å |
| 441 | R | 84.8 | Confident | 80.7 | Confident | 57 Ų | 57 | 57.2 Ų | 57.2 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -78.6 | -49 | 174.9 | -69.2 | -169.9 | 6.4 | 157.5 | -5 | 112.6 | G439 V455 I456 G457 Y459 E461 D462 | G439-R441 VanDerWaalsContact C-N 3.26Å; G439-R441 PolarHBondContact O-N 2.86Å; R441-V455 CarbonylContact O-C 3.5Å; R441-V455 VanDerWaalsContact O-CA 3.28Å; R441-V455 WeakPolarHBondContact O-CA 3.41Å; R441-I456 WeakPolarHBondContact CG-O 3.35Å; R441-I456 PolarHBondContact O-N 3.09Å; R441-G457 PolarHBondContact NH1-O 3.48Å; R441-Y459 VanDerWaalsContact CZ-CD2 3.45Å; R441-Y459 VanDerWaalsContact NH2-CD2 3.33Å; R441-E461 IonicContact CZ-OE1 3.55Å; R441-E461 IonicContact NH1-OE1 2.68Å; R441-E461 PolarHBondContact NH1-OE1 2.86Å; R441-E461 IonicContact NH2-OE1 3.68Å; R441-E461 PolarHBondContact NH2-OE1 2.81Å; R441-D462 IonicContact CZ-OD2 3.02Å; R441-D462 IonicContact NH1-OD2 3.43Å; R441-D462 PolarHBondContact NH1-OD2 2.79Å; R441-D462 VanDerWaalsContact NH2-CG 3.35Å; R441-D462 IonicContact NH2-OD1 3.09Å; R441-D462 PolarHBondContact NH2-OD1 2.84Å; R441-D462 IonicContact NH2-OD2 2.68Å; R441-D462 PolarHBondContact NH2-OD2 2.99Å; R441-D462 VanDerWaalsContact NH2-OD2 3.16Å |
| 442 | F | 88.2 | Confident | 80.8 | Confident | 24 Ų | 24 | 56 Ų | 56 | 11% | 0.105 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 108.3 | -174.8 | -58.9 | -85.4 | 0 | 0 | 0 | 111.2 | I436 P437 G439 P444 L453 D454 V455 D462 | I436-F442 HydrophobicContact CG2-CB 3.65Å; I436-F442 HydrophobicContact CG2-CD1 3.44Å; I436-F442 VanDerWaalsContact CG2-CD1 3.44Å; I436-F442 HydrophobicContact CG2-CD2 4.2Å; I436-F442 HydrophobicContact CG2-CE1 4.14Å; I436-F442 HydrophobicContact CG2-CG 3.5Å; I436-F442 VanDerWaalsContact CG2-CG 3.47Å; P437-F442 WeakPolarHBondContact O-CB 3.32Å; G439-F442 PolarHBondContact N-O 2.87Å; G439-F442 CarbonylContact O-C 3.57Å; G439-F442 VanDerWaalsContact O-O 3.07Å; F442-P444 WeakPolarHBondContact O-CD 3.22Å; F442-L453 HydrophobicContact CB-CD1 4.38Å; F442-D454 CarbonylContact C-O 3.5Å; F442-D454 WeakPolarHBondContact CA-O 3.43Å; F442-V455 HydrophobicContact CD1-CB 4.31Å; F442-V455 HydrophobicContact CD1-CG1 3.87Å; F442-V455 HydrophobicContact CD1-CG2 3.7Å; F442-V455 HydrophobicContact CE1-CB 4.33Å; F442-V455 HydrophobicContact CE1-CG1 3.55Å; F442-V455 HydrophobicContact CE1-CG2 3.83Å; F442-V455 HydrophobicContact CZ-CG1 4.12Å; F442-D462 WeakPolarHBondContact CZ-OD1 3.39Å |
| 443 | K | 84.8 | Confident | 81.1 | Confident | 79 Ų | 79 | 51.5 Ų | 51.5 | 34% | 0.343 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 94.2 | -177.3 | -61.5 | -176.6 | -178.8 | -180 | 0 | 110.5 | G439 H440 F445 D454 I456 | G439-K443 WeakPolarHBondContact O-CG 3.09Å; H440-K443 VanDerWaalsContact O-CE 3.25Å; H440-K443 WeakPolarHBondContact O-CE 3.3Å; K443-F445 HydrophobicContact CB-CE2 3.78Å; K443-F445 HydrophobicContact CB-CZ 4.04Å; K443-F445 VanDerWaalsContact O-CD2 3.31Å; K443-F445 WeakPolarHBondContact O-CD2 3.42Å; K443-F445 VanDerWaalsContact O-CE2 3.27Å; K443-F445 WeakPolarHBondContact O-CE2 3.28Å; K443-D454 HydrophobicContact CB-CB 4.17Å; K443-D454 PolarHBondContact N-O 2.85Å; K443-D454 PolarHBondContact O-N 3.17Å; K443-I456 HydrophobicContact CD-CD1 3.92Å |
| 444 | P | 87.4 | Confident | 81.5 | Confident | 43.5 Ų | 43.5 | 49.9 Ų | 49.9 | 28% | 0.282 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 144.7 | 172.9 | 32.3 | -31.5 | 0 | 0 | 0 | 111.1 | T438 F442 S452 L453 | T438-P444 HydrophobicContact CG2-CG 4.12Å; F442-P444 WeakPolarHBondContact O-CD 3.22Å; P444-S452 CarbonylContact C-O 3.52Å; P444-S452 VanDerWaalsContact CA-O 3.3Å; P444-S452 WeakPolarHBondContact CA-O 3.35Å; P444-L453 HydrophobicContact CB-CD1 4.06Å |
| 445 | F | 85.7 | Confident | 82 | Confident | 111 Ų | 111 | 46.8 Ų | 46.8 | 49% | 0.487 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 144.9 | 174.3 | -57.7 | -88.2 | 0 | 0 | 0 | 109.6 | K443 A451 S452 | K443-F445 HydrophobicContact CB-CE2 3.78Å; K443-F445 HydrophobicContact CB-CZ 4.04Å; K443-F445 VanDerWaalsContact O-CD2 3.31Å; K443-F445 WeakPolarHBondContact O-CD2 3.42Å; K443-F445 VanDerWaalsContact O-CE2 3.27Å; K443-F445 WeakPolarHBondContact O-CE2 3.28Å; F445-A451 CarbonylContact O-C 3.58Å; F445-A451 WeakPolarHBondContact O-CA 3.37Å; F445-S452 PolarHBondContact N-O 2.87Å; F445-S452 PolarHBondContact O-N 3.02Å |
| 446 | Y | 84.1 | Confident | 82.3 | Confident | 72.5 Ų | 72.5 | 48 Ų | 48 | 28% | 0.284 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 113.6 | 168.4 | 170.2 | -117.3 | 0 | 0 | 0 | 109.2 | V417 M425 V427 F450 A451 | V417-Y446 HydrophobicContact CG2-CE2 3.8Å; M425-Y446 HydrophobicContact CB-CE1 4.28Å; M425-Y446 WeakPolarHBondContact CB-OH 3.45Å; M425-Y446 HydrophobicContact CG-CE1 4.22Å; M425-Y446 VanDerWaalsContact CG-OH 3.3Å; M425-Y446 WeakPolarHBondContact CG-OH 3.3Å; V427-Y446 HydrophobicContact CB-CD2 4.46Å; V427-Y446 HydrophobicContact CB-CG 4.14Å; V427-Y446 HydrophobicContact CG2-CD1 3.71Å; V427-Y446 HydrophobicContact CG2-CD2 3.42Å; V427-Y446 VanDerWaalsContact CG2-CD2 3.49Å; V427-Y446 HydrophobicContact CG2-CE1 4.09Å; V427-Y446 HydrophobicContact CG2-CE2 3.84Å; V427-Y446 HydrophobicContact CG2-CG 3.35Å; V427-Y446 VanDerWaalsContact CG2-CG 3.41Å; Y446-F450 VanDerWaalsContact CA-O 3.28Å; Y446-F450 WeakPolarHBondContact CA-O 3.44Å; Y446-F450 VanDerWaalsContact CD2-O 3.23Å; Y446-F450 WeakPolarHBondContact CD2-O 3.38Å; Y446-A451 HydrophobicContact CD2-CB 4.05Å |
| 447 | D | 74.7 | Confident | 82.2 | Confident | 62.5 Ų | 62.5 | 47.8 Ų | 47.8 | 33% | 0.334 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 152.7 | 176.2 | -152.2 | 4.5 | 0 | 0 | 0 | 108.9 | G449 F450 Q792 S809 | D447-G449 PolarHBondContact O-N 3.2Å; D447-F450 CarbonylContact C-O 3.53Å; D447-F450 PolarHBondContact N-O 2.88Å; D447-F450 CarbonylContact O-C 3.53Å; D447-F450 WeakPolarHBondContact O-CA 3.25Å; D447-F450 WeakPolarHBondContact O-CB 3.35Å; D447-F450 PolarHBondContact O-N 2.85Å; D447-Q792 PolarHBondContact OD1-OE1 3.12Å; D447-S809 PolarHBondContact OD2-OG 3.28Å |
| 448 | F | 76.2 | Confident | 83 | Confident | 35 Ų | 35 | 43.9 Ų | 43.9 | 15% | 0.154 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 16.5 | 174.8 | -60.5 | -81.2 | 0 | 0 | 0 | 118.4 | K420 F450 V791 Q792 C810 Q811 P1288 H1290 | K420-F448 WeakPolarHBondContact CD-O 3.28Å; F448-F450 HydrophobicContact CB-CD2 4.12Å; F448-F450 WeakPolarHBondContact O-CD2 3.12Å; F448-F450 PolarHBondContact O-N 2.92Å; F448-V791 HydrophobicContact CB-CB 4.43Å; F448-V791 HydrophobicContact CD1-CB 3.9Å; F448-V791 HydrophobicContact CD1-CG2 4Å; F448-Q792 VanDerWaalsContact CA-CB 3.43Å; F448-Q792 HydrophobicContact CB-CB 3.92Å; F448-Q792 VanDerWaalsContact CD1-CA 3.46Å; F448-Q792 HydrophobicContact CD1-CB 3.26Å; F448-Q792 HydrophobicContact CD1-CG 4.35Å; F448-Q792 HydrophobicContact CD2-CB 4.21Å; F448-Q792 HydrophobicContact CE1-CB 3.17Å; F448-Q792 HydrophobicContact CE1-CG 3.98Å; F448-Q792 WeakPolarHBondContact CE1-O 3.23Å; F448-Q792 HydrophobicContact CE2-CB 4.21Å; F448-Q792 HydrophobicContact CE2-CG 4.33Å; F448-Q792 HydrophobicContact CG-CB 3.61Å; F448-Q792 HydrophobicContact CG-CG 4.44Å; F448-Q792 VanDerWaalsContact CG-OE1 3.22Å; F448-Q792 HydrophobicContact CZ-CB 3.41Å; F448-Q792 VanDerWaalsContact CZ-CB 3.41Å; F448-Q792 HydrophobicContact CZ-CG 3.66Å; F448-Q792 WeakPolarHBondContact CZ-O 3.26Å; F448-Q792 VanDerWaalsContact N-CD 3.28Å; F448-C810 VanDerWaalsContact CE1-C 3.5Å; F448-C810 HydrophobicContact CE1-CB 4.33Å; F448-C810 HydrophobicContact CZ-CB 3.86Å; F448-Q811 HydrophobicContact CB-CB 4.27Å; F448-Q811 HydrophobicContact CB-CG 4.19Å; F448-Q811 VanDerWaalsContact CD1-CA 3.46Å; F448-Q811 HydrophobicContact CD1-CB 3.1Å; F448-Q811 HydrophobicContact CD1-CG 3.74Å; F448-Q811 WeakPolarHBondContact CD1-O 3.47Å; F448-Q811 HydrophobicContact CD2-CB 3.37Å; F448-Q811 HydrophobicContact CD2-CG 2.94Å; F448-Q811 HydrophobicContact CE1-CB 3.5Å; F448-Q811 VanDerWaalsContact CE1-CB 3.5Å; F448-Q811 HydrophobicContact CE1-CG 4.19Å; F448-Q811 WeakPolarHBondContact CE1-O 3.42Å; F448-Q811 HydrophobicContact CE2-CB 3.7Å; F448-Q811 HydrophobicContact CE2-CG 3.45Å; F448-Q811 VanDerWaalsContact CE2-CG 3.45Å; F448-Q811 HydrophobicContact CG-CB 3.24Å; F448-Q811 HydrophobicContact CG-CG 3.29Å; F448-Q811 HydrophobicContact CZ-CB 3.98Å; F448-Q811 HydrophobicContact CZ-CG 4.24Å; F448-P1288 HydrophobicContact CD1-CB 4.08Å; F448-P1288 HydrophobicContact CE1-CB 3.5Å; F448-P1288 VanDerWaalsContact CE1-CB 3.5Å; F448-P1288 HydrophobicContact CE1-CG 3.53Å; F448-P1288 HydrophobicContact CE2-CB 4.01Å; F448-P1288 HydrophobicContact CE2-CG 4.37Å; F448-P1288 HydrophobicContact CZ-CB 3.49Å; F448-P1288 VanDerWaalsContact CZ-CB 3.49Å; F448-P1288 HydrophobicContact CZ-CG 3.46Å; F448-P1288 VanDerWaalsContact CZ-CG 3.46Å; F448-H1290 HydrophobicContact CB-CB 3.56Å; F448-H1290 HydrophobicContact CD2-CB 4.41Å; F448-H1290 HydrophobicContact CG-CB 4.24Å |
| 449 | G | 80.4 | Confident | 83.5 | Confident | 0.5 Ų | 0.5 | 42.7 Ų | 42.7 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 22.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E416 V417 D447 | E416-G449 CarbonylContact C-O 3.56Å; E416-G449 VanDerWaalsContact CA-O 3.26Å; E416-G449 WeakPolarHBondContact CA-O 3.28Å; V417-G449 PolarHBondContact N-O 3.12Å; D447-G449 PolarHBondContact O-N 3.2Å |
| 450 | F | 87.6 | Confident | 84.3 | Confident | 27.5 Ų | 27.5 | 43.6 Ų | 43.6 | 12% | 0.121 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132 | 173.6 | -63.6 | -86.8 | 0 | 0 | 0 | 109.6 | E414 C415 E416 Y446 D447 F448 V791 H1290 E1292 | E414-F450 HydrophobicContact CG-CD1 4.39Å; C415-F450 CarbonylContact O-C 3.54Å; C415-F450 VanDerWaalsContact O-CA 3.29Å; C415-F450 WeakPolarHBondContact O-CA 3.39Å; E416-F450 HydrophobicContact CB-CD1 3.96Å; E416-F450 HydrophobicContact CB-CE1 3.68Å; E416-F450 VanDerWaalsContact CB-CE1 3.42Å; E416-F450 HydrophobicContact CB-CZ 4.33Å; E416-F450 HydrophobicContact CG-CD1 4.16Å; E416-F450 HydrophobicContact CG-CE1 3.62Å; E416-F450 HydrophobicContact CG-CZ 3.92Å; Y446-F450 VanDerWaalsContact CA-O 3.28Å; Y446-F450 WeakPolarHBondContact CA-O 3.44Å; Y446-F450 VanDerWaalsContact CD2-O 3.23Å; Y446-F450 WeakPolarHBondContact CD2-O 3.38Å; D447-F450 CarbonylContact C-O 3.53Å; D447-F450 PolarHBondContact N-O 2.88Å; D447-F450 CarbonylContact O-C 3.53Å; D447-F450 WeakPolarHBondContact O-CA 3.25Å; D447-F450 WeakPolarHBondContact O-CB 3.35Å; D447-F450 PolarHBondContact O-N 2.85Å; F448-F450 HydrophobicContact CB-CD2 4.12Å; F448-F450 WeakPolarHBondContact O-CD2 3.12Å; F448-F450 PolarHBondContact O-N 2.92Å; F450-V791 HydrophobicContact CE2-CG1 4.29Å; F450-H1290 AromaticContact CD1-NE2 3.67Å; F450-H1290 HydrophobicContact CD2-CB 3.81Å; F450-H1290 AromaticContact CD2-CD2 3.43Å; F450-H1290 VanDerWaalsContact CD2-CD2 3.43Å; F450-H1290 WeakPolarHBondContact CD2-CD2 3.36Å; F450-H1290 AromaticContact CD2-CE1 3.49Å; F450-H1290 VanDerWaalsContact CD2-CE1 3.49Å; F450-H1290 WeakPolarHBondContact CD2-CE1 3.36Å; F450-H1290 AromaticContact CD2-CG 3.3Å; F450-H1290 AromaticContact CD2-ND1 3.31Å; F450-H1290 VanDerWaalsContact CD2-ND1 3.31Å; F450-H1290 WeakPolarHBondContact CD2-ND1 3.49Å; F450-H1290 AromaticContact CD2-NE2 3.53Å; F450-H1290 AromaticContact CE1-CD2 3.87Å; F450-H1290 AromaticContact CE1-NE2 3.77Å; F450-H1290 HydrophobicContact CE2-CB 3.52Å; F450-H1290 AromaticContact CE2-CD2 3.13Å; F450-H1290 WeakPolarHBondContact CE2-CD2 3.36Å; F450-H1290 AromaticContact CE2-CG 3.24Å; F450-H1290 AromaticContact CE2-ND1 3.81Å; F450-H1290 AromaticContact CE2-NE2 3.66Å; F450-H1290 VanDerWaalsContact CE2-O 3.32Å; F450-H1290 WeakPolarHBondContact CE2-O 3.28Å; F450-H1290 AromaticContact CG-CD2 3.91Å; F450-H1290 AromaticContact CG-CE1 3.49Å; F450-H1290 VanDerWaalsContact CG-CE1 3.49Å; F450-H1290 WeakPolarHBondContact CG-CE1 3.36Å; F450-H1290 AromaticContact CG-ND1 3.8Å; F450-H1290 AromaticContact CG-NE2 3.51Å; F450-H1290 HydrophobicContact CZ-CB 4.46Å; F450-H1290 AromaticContact CZ-CD2 3.32Å; F450-H1290 WeakPolarHBondContact CZ-CD2 3.17Å; F450-H1290 AromaticContact CZ-CG 3.95Å; F450-H1290 AromaticContact CZ-NE2 3.72Å; F450-E1292 HydrophobicContact CD1-CG 4.2Å; F450-E1292 WeakPolarHBondContact CD1-OE1 3.49Å; F450-E1292 HydrophobicContact CE1-CB 3.64Å; F450-E1292 HydrophobicContact CE1-CG 3.52Å; F450-E1292 WeakPolarHBondContact CE1-OE1 3.32Å; F450-E1292 WeakPolarHBondContact CE1-OE2 3.18Å; F450-E1292 HydrophobicContact CZ-CB 4.04Å; F450-E1292 HydrophobicContact CZ-CG 4.05Å |
| 451 | A | 88.3 | Confident | 85.2 | Confident | 0.5 Ų | 0.5 | 42.7 Ų | 42.7 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 121.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | E414 C415 V417 V427 W429 F445 Y446 | E414-A451 CarbonylContact C-O 3.47Å; E414-A451 WeakPolarHBondContact CA-O 3.3Å; C415-A451 PolarHBondContact N-O 2.97Å; C415-A451 PolarHBondContact O-N 3.23Å; C415-A451 PolarHBondContact SG-O 2.85Å; V417-A451 HydrophobicContact CG1-CB 4.47Å; V427-A451 HydrophobicContact CG1-CB 3.61Å; V427-A451 VanDerWaalsContact CG1-CB 3.47Å; V427-A451 HydrophobicContact CG2-CB 4.31Å; W429-A451 HydrophobicContact CZ2-CB 4.44Å; F445-A451 CarbonylContact O-C 3.58Å; F445-A451 WeakPolarHBondContact O-CA 3.37Å; Y446-A451 HydrophobicContact CD2-CB 4.05Å |
| 452 | S | 91.8 | Very high | 85.4 | Confident | 17.5 Ų | 17.5 | 40 Ų | 40 | 12% | 0.122 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 162 | 179.3 | 69.2 | 0 | 0 | 0 | 0 | 113.5 | L413 W429 P444 F445 | L413-S452 CarbonylContact O-C 3.43Å; L413-S452 WeakPolarHBondContact O-CA 3.22Å; L413-S452 VanDerWaalsContact O-CB 3.27Å; L413-S452 WeakPolarHBondContact O-CB 3.37Å; W429-S452 WeakPolarHBondContact CZ2-O 3.44Å; W429-S452 PolarHBondContact NE1-O 2.81Å; P444-S452 CarbonylContact C-O 3.52Å; P444-S452 VanDerWaalsContact CA-O 3.3Å; P444-S452 WeakPolarHBondContact CA-O 3.35Å; F445-S452 PolarHBondContact N-O 2.87Å; F445-S452 PolarHBondContact O-N 3.02Å |
| 453 | L | 91.8 | Very high | 85.4 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 117.8 | 175.8 | 174.4 | 69.1 | 0 | 0 | 0 | 109.3 | L413 W429 I436 F442 P444 V455 Y466 | L413-L453 HydrophobicContact CB-CB 4.48Å; L413-L453 HydrophobicContact CD1-CD2 4.49Å; L413-L453 PolarHBondContact N-O 2.76Å; L413-L453 PolarHBondContact O-N 3.41Å; W429-L453 HydrophobicContact CB-CD2 4.38Å; W429-L453 HydrophobicContact CD2-CB 3.72Å; W429-L453 HydrophobicContact CD2-CD2 3.97Å; W429-L453 HydrophobicContact CD2-CG 4.37Å; W429-L453 HydrophobicContact CE3-CB 3.76Å; W429-L453 HydrophobicContact CE3-CD2 3.65Å; W429-L453 HydrophobicContact CE3-CG 4.34Å; W429-L453 HydrophobicContact CG-CB 4.43Å; W429-L453 HydrophobicContact CG-CD2 4.34Å; W429-L453 HydrophobicContact CH2-CB 3.66Å; W429-L453 HydrophobicContact CZ2-CB 3.68Å; W429-L453 HydrophobicContact CZ3-CB 3.72Å; W429-L453 HydrophobicContact CZ3-CD2 4.13Å; I436-L453 HydrophobicContact CD1-CD2 3.49Å; I436-L453 VanDerWaalsContact CD1-CD2 3.49Å; F442-L453 HydrophobicContact CB-CD1 4.38Å; P444-L453 HydrophobicContact CB-CD1 4.06Å; L453-V455 HydrophobicContact CG-CG2 4.48Å; L453-Y466 HydrophobicContact CD2-CD1 3.64Å; L453-Y466 HydrophobicContact CD2-CE1 3.9Å |
| 454 | D | 89.2 | Confident | 85.6 | Confident | 10.5 Ų | 10.5 | 37.2 Ų | 37.2 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 133.5 | 168.2 | -86.3 | -43.7 | 0 | 0 | 0 | 111.1 | R410 L411 H412 F442 K443 | R410-D454 IonicContact CZ-OD1 2.93Å; R410-D454 VanDerWaalsContact CZ-OD1 3.25Å; R410-D454 IonicContact CZ-OD2 3.31Å; R410-D454 IonicContact NE-OD1 3.18Å; R410-D454 PolarHBondContact NE-OD1 3.41Å; R410-D454 IonicContact NE-OD2 3.15Å; R410-D454 IonicContact NH2-OD1 3.09Å; R410-D454 PolarHBondContact NH2-OD1 3.01Å; R410-D454 IonicContact NH2-OD2 3.69Å; R410-D454 PolarHBondContact NH2-OD2 3Å; L411-D454 CarbonylContact O-C 3.51Å; L411-D454 WeakPolarHBondContact O-CA 3.4Å; H412-D454 IonicContact CE1-OD1 3.13Å; H412-D454 IonicContact CE1-OD2 3.77Å; H412-D454 IonicContact CG-OD1 3.67Å; H412-D454 VanDerWaalsContact ND1-CG 3.34Å; H412-D454 IonicContact ND1-OD1 3.59Å; H412-D454 PolarHBondContact ND1-OD1 3.13Å; H412-D454 IonicContact ND1-OD2 2.69Å; F442-D454 CarbonylContact C-O 3.5Å; F442-D454 WeakPolarHBondContact CA-O 3.43Å; K443-D454 HydrophobicContact CB-CB 4.17Å; K443-D454 PolarHBondContact N-O 2.85Å; K443-D454 PolarHBondContact O-N 3.17Å |
| 455 | V | 90.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 108.9 | 164.5 | -166.4 | 0 | 0 | 0 | 0 | 108.9 | R410 L411 R441 F442 L453 V458 Y466 | R410-V455 VanDerWaalsContact CA-O 3.31Å; R410-V455 WeakPolarHBondContact CA-O 3.37Å; L411-V455 HydrophobicContact CB-CB 3.99Å; L411-V455 HydrophobicContact CB-CG2 4.19Å; L411-V455 HydrophobicContact CD2-CB 4.43Å; L411-V455 HydrophobicContact CD2-CG2 3.86Å; L411-V455 HydrophobicContact CG-CG2 4.41Å; L411-V455 PolarHBondContact N-O 3.25Å; L411-V455 PolarHBondContact O-N 3.02Å; R441-V455 CarbonylContact O-C 3.5Å; R441-V455 VanDerWaalsContact O-CA 3.28Å; R441-V455 WeakPolarHBondContact O-CA 3.41Å; F442-V455 HydrophobicContact CD1-CB 4.31Å; F442-V455 HydrophobicContact CD1-CG1 3.87Å; F442-V455 HydrophobicContact CD1-CG2 3.7Å; F442-V455 HydrophobicContact CE1-CB 4.33Å; F442-V455 HydrophobicContact CE1-CG1 3.55Å; F442-V455 HydrophobicContact CE1-CG2 3.83Å; F442-V455 HydrophobicContact CZ-CG1 4.12Å; L453-V455 HydrophobicContact CG-CG2 4.48Å; V455-V458 HydrophobicContact CB-CG2 4.09Å; V455-V458 HydrophobicContact CG1-CG2 4.04Å; V455-Y466 HydrophobicContact CG2-CE1 4.2Å |
| 456 | I | 86.5 | Confident | 86 | Confident | 63 Ų | 63 | 32.2 Ų | 32.2 | 32% | 0.323 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 115.1 | 179 | -55.9 | 179.6 | 0 | 0 | 0 | 108.7 | R441 K443 | R441-I456 WeakPolarHBondContact CG-O 3.35Å; R441-I456 PolarHBondContact O-N 3.09Å; K443-I456 HydrophobicContact CD-CD1 3.92Å |
| 457 | G | 82.3 | Confident | 86.4 | Confident | 15.5 Ų | 15.5 | 29.8 Ų | 29.8 | 16% | 0.16 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 74.8 | 82 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S409 R441 Y459 | S409-G457 WeakPolarHBondContact O-CA 3.29Å; S409-G457 PolarHBondContact O-N 3.14Å; R441-G457 PolarHBondContact NH1-O 3.48Å; G457-Y459 WeakPolarHBondContact O-CD2 3.28Å; G457-Y459 VanDerWaalsContact O-CE2 3.25Å; G457-Y459 WeakPolarHBondContact O-CE2 3.48Å |
| 458 | V | 86.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -82.9 | 130.3 | -177.6 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | L405 E407 N408 S409 L411 V455 D462 F483 C485 | L405-V458 HydrophobicContact CD1-CG1 4.37Å; L405-V458 HydrophobicContact CD1-CG2 4.31Å; E407-V458 CarbonylContact C-O 3.53Å; E407-V458 VanDerWaalsContact CA-O 3.3Å; E407-V458 WeakPolarHBondContact CA-O 3.42Å; N408-V458 PolarHBondContact N-O 3.03Å; S409-V458 WeakPolarHBondContact O-CB 3.26Å; S409-V458 WeakPolarHBondContact O-CG2 3.32Å; S409-V458 PolarHBondContact O-N 2.77Å; L411-V458 HydrophobicContact CB-CG2 3.82Å; V455-V458 HydrophobicContact CB-CG2 4.09Å; V455-V458 HydrophobicContact CG1-CG2 4.04Å; V458-D462 HydrophobicContact CG1-CB 3.98Å; V458-F483 HydrophobicContact CB-CZ 4.46Å; V458-F483 HydrophobicContact CG1-CD1 4.44Å; V458-F483 HydrophobicContact CG1-CE1 3.26Å; V458-F483 HydrophobicContact CG1-CE2 3.9Å; V458-F483 HydrophobicContact CG1-CZ 3.61Å; V458-C485 HydrophobicContact CG1-CB 3.97Å | ||
| 459 | Y | 84.5 | Confident | 88 | Confident | 84.5 Ų | 84.5 | 26.4 Ų | 26.4 | 33% | 0.331 | 15% | 0.146 | S | C | . | . | trans | -108 | 167.2 | 177 | -65.3 | -82 | 0 | 0 | 0 | 112.1 | E407 R441 G457 E461 D462 C485 | E407-Y459 HydrophobicContact CG-CD1 4.09Å; R441-Y459 VanDerWaalsContact CZ-CD2 3.45Å; R441-Y459 VanDerWaalsContact NH2-CD2 3.33Å; G457-Y459 WeakPolarHBondContact O-CD2 3.28Å; G457-Y459 VanDerWaalsContact O-CE2 3.25Å; G457-Y459 WeakPolarHBondContact O-CE2 3.48Å; Y459-E461 PolarHBondContact O-N 3.27Å; Y459-E461 VanDerWaalsContact O-N 3.17Å; Y459-D462 PolarHBondContact N-OD2 2.81Å; Y459-D462 VanDerWaalsContact N-OD2 3.1Å; Y459-D462 WeakPolarHBondContact O-CA 3.31Å; Y459-D462 VanDerWaalsContact O-CB 3.29Å; Y459-D462 WeakPolarHBondContact O-CB 3.42Å; Y459-D462 PolarHBondContact O-N 2.98Å; Y459-C485 WeakPolarHBondContact O-CB 3.4Å; Y459-C485 PolarHBondContact O-SG 3.12Å | ||
| 460 | P | 81.9 | Confident | 88.4 | Confident | 57 Ų | 57 | 26.4 Ų | 26.4 | 37% | 0.37 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -53 | -37.6 | 174.5 | -30 | 38.6 | 0 | 0 | 0 | 113.5 | D462 S463 | P460-D462 PolarHBondContact O-N 3.36Å; P460-S463 WeakPolarHBondContact O-CB 3.33Å; P460-S463 PolarHBondContact O-N 2.9Å; P460-S463 PolarHBondContact O-OG 3.15Å |
| 461 | E | 83.3 | Confident | 88.4 | Confident | 134.5 Ų | 134.5 | 26.7 Ų | 26.7 | 63% | 0.629 | 15% | 0.15 | S | C | * | . | G | 310 helix | trans | -64.7 | -15 | 173.4 | 55.7 | 172.4 | -139.1 | 0 | 0 | 114.7 | K431 R441 Y459 S463 | K431-E461 VanDerWaalsContact CE-O 3.24Å; K431-E461 WeakPolarHBondContact CE-O 3.34Å; K431-E461 PolarHBondContact NZ-O 3.17Å; R441-E461 IonicContact CZ-OE1 3.55Å; R441-E461 IonicContact NH1-OE1 2.68Å; R441-E461 PolarHBondContact NH1-OE1 2.86Å; R441-E461 IonicContact NH2-OE1 3.68Å; R441-E461 PolarHBondContact NH2-OE1 2.81Å; Y459-E461 PolarHBondContact O-N 3.27Å; Y459-E461 VanDerWaalsContact O-N 3.17Å; E461-S463 VanDerWaalsContact C-N 3.28Å |
| 462 | D | 87.7 | Confident | 88.2 | Confident | 1.5 Ų | 1.5 | 27.3 Ų | 27.3 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -82.4 | -11.4 | 175.9 | -68.9 | -38.8 | 0 | 0 | 0 | 114.3 | K431 R441 F442 V458 Y459 P460 G464 Y466 F483 | K431-D462 WeakPolarHBondContact CE-O 3.43Å; K431-D462 VanDerWaalsContact NZ-CA 3.32Å; K431-D462 IonicContact NZ-OD1 3.29Å; K431-D462 PolarHBondContact NZ-OD1 3.08Å; R441-D462 IonicContact CZ-OD2 3.02Å; R441-D462 IonicContact NH1-OD2 3.43Å; R441-D462 PolarHBondContact NH1-OD2 2.79Å; R441-D462 VanDerWaalsContact NH2-CG 3.35Å; R441-D462 IonicContact NH2-OD1 3.09Å; R441-D462 PolarHBondContact NH2-OD1 2.84Å; R441-D462 IonicContact NH2-OD2 2.68Å; R441-D462 PolarHBondContact NH2-OD2 2.99Å; R441-D462 VanDerWaalsContact NH2-OD2 3.16Å; F442-D462 WeakPolarHBondContact CZ-OD1 3.39Å; V458-D462 HydrophobicContact CG1-CB 3.98Å; Y459-D462 PolarHBondContact N-OD2 2.81Å; Y459-D462 VanDerWaalsContact N-OD2 3.1Å; Y459-D462 WeakPolarHBondContact O-CA 3.31Å; Y459-D462 VanDerWaalsContact O-CB 3.29Å; Y459-D462 WeakPolarHBondContact O-CB 3.42Å; Y459-D462 PolarHBondContact O-N 2.98Å; P460-D462 PolarHBondContact O-N 3.36Å; D462-G464 PolarHBondContact O-N 3.34Å; D462-Y466 VanDerWaalsContact O-CE2 3.31Å; D462-Y466 WeakPolarHBondContact O-CE2 3.22Å; D462-Y466 PolarHBondContact O-OH 2.77Å; D462-F483 HydrophobicContact CB-CE1 4.3Å; D462-F483 HydrophobicContact CB-CZ 4.09Å; D462-F483 VanDerWaalsContact O-CD1 3.31Å; D462-F483 WeakPolarHBondContact O-CD1 3.14Å; D462-F483 WeakPolarHBondContact O-CZ 3.05Å |
| 463 | S | 88.6 | Confident | 87.5 | Confident | 32.5 Ų | 32.5 | 30.7 Ų | 30.7 | 23% | 0.227 | 18% | 0.178 | C | C | . | . | trans | -56.1 | 138.3 | 172.4 | -50.3 | 0 | 0 | 0 | 0 | 111.9 | N432 P460 E461 F483 C485 | N432-S463 PolarHBondContact ND2-O 3.12Å; P460-S463 WeakPolarHBondContact O-CB 3.33Å; P460-S463 PolarHBondContact O-N 2.9Å; P460-S463 PolarHBondContact O-OG 3.15Å; E461-S463 VanDerWaalsContact C-N 3.28Å; S463-F483 CarbonylContact C-O 3.45Å; S463-F483 WeakPolarHBondContact CA-O 3.3Å; S463-C485 WeakPolarHBondContact OG-CB 3.22Å; S463-C485 PolarHBondContact OG-N 2.81Å | ||
| 464 | G | 88.1 | Confident | 86.9 | Confident | 11.5 Ų | 11.5 | 35.3 Ų | 35.3 | 12% | 0.119 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.8 | -179.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N432 D462 Y466 N482 F483 | N432-G464 VanDerWaalsContact OD1-CA 3.23Å; N432-G464 WeakPolarHBondContact OD1-CA 3.4Å; D462-G464 PolarHBondContact O-N 3.34Å; G464-Y466 WeakPolarHBondContact O-CD2 3.39Å; G464-N482 WeakPolarHBondContact O-CA 3.31Å; G464-N482 PolarHBondContact O-OD1 2.98Å; G464-F483 PolarHBondContact N-O 3.05Å; G464-F483 PolarHBondContact O-N 3.17Å |
| 465 | T | 90.9 | Very high | 86.6 | Confident | 49 Ų | 49 | 36.1 Ų | 36.1 | 30% | 0.301 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 115.5 | 173.9 | -54.1 | 0 | 0 | 0 | 0 | 109.6 | K431 N432 D480 A481 N482 | K431-T465 CarbonylContact C-O 3.55Å; K431-T465 WeakPolarHBondContact CA-O 3.22Å; N432-T465 PolarHBondContact N-O 3.12Å; N432-T465 PolarHBondContact OD1-N 3.43Å; T465-D480 HydrophobicContact CG2-CB 3.89Å; T465-A481 CarbonylContact C-O 3.56Å; T465-A481 WeakPolarHBondContact CA-O 3.42Å; T465-N482 WeakPolarHBondContact CA-OD1 3.42Å; T465-N482 VanDerWaalsContact CB-OD1 3.26Å; T465-N482 WeakPolarHBondContact CB-OD1 3.28Å; T465-N482 WeakPolarHBondContact CG2-OD1 3.46Å; T465-N482 PolarHBondContact N-OD1 3.47Å; T465-N482 PolarHBondContact OG1-OD1 2.87Å |
| 466 | Y | 91.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 121.6 | 174.8 | -75 | -115.5 | 0 | 0 | 0 | 109.4 | L398 L411 L413 F430 K431 I436 L453 V455 D462 G464 D480 A481 F483 | L398-Y466 WeakPolarHBondContact CD1-O 2.87Å; L411-Y466 HydrophobicContact CD2-CE1 4.31Å; L411-Y466 HydrophobicContact CD2-CE2 4.09Å; L413-Y466 VanDerWaalsContact CD1-CB 3.43Å; L413-Y466 HydrophobicContact CD1-CD1 3.71Å; L413-Y466 HydrophobicContact CD1-CD2 4.16Å; L413-Y466 HydrophobicContact CD1-CG 3.6Å; F430-Y466 CarbonylContact O-C 3.57Å; F430-Y466 WeakPolarHBondContact O-CA 3.35Å; K431-Y466 HydrophobicContact CB-CD1 4.47Å; K431-Y466 HydrophobicContact CB-CD2 4.37Å; K431-Y466 HydrophobicContact CB-CE1 4.33Å; K431-Y466 HydrophobicContact CB-CE2 4.09Å; K431-Y466 HydrophobicContact CD-CE1 4.47Å; K431-Y466 HydrophobicContact CD-CE2 4.09Å; K431-Y466 WeakPolarHBondContact CD-OH 3.19Å; K431-Y466 HydrophobicContact CG-CD2 4.28Å; K431-Y466 HydrophobicContact CG-CE1 4.42Å; K431-Y466 HydrophobicContact CG-CE2 3.98Å; I436-Y466 HydrophobicContact CD1-CD1 3.44Å; I436-Y466 VanDerWaalsContact CD1-CD1 3.44Å; I436-Y466 HydrophobicContact CD1-CE1 3.5Å; I436-Y466 VanDerWaalsContact CD1-CE1 3.45Å; I436-Y466 HydrophobicContact CD1-CG 4.42Å; L453-Y466 HydrophobicContact CD2-CD1 3.64Å; L453-Y466 HydrophobicContact CD2-CE1 3.9Å; V455-Y466 HydrophobicContact CG2-CE1 4.2Å; D462-Y466 VanDerWaalsContact O-CE2 3.31Å; D462-Y466 WeakPolarHBondContact O-CE2 3.22Å; D462-Y466 PolarHBondContact O-OH 2.77Å; G464-Y466 WeakPolarHBondContact O-CD2 3.39Å; Y466-D480 CarbonylContact O-C 3.49Å; Y466-D480 VanDerWaalsContact O-CA 3.3Å; Y466-D480 WeakPolarHBondContact O-CA 3.44Å; Y466-A481 PolarHBondContact N-O 3.25Å; Y466-A481 PolarHBondContact O-N 3.15Å; Y466-F483 HydrophobicContact CD2-CB 4.11Å; Y466-F483 HydrophobicContact CD2-CD1 4.27Å; Y466-F483 AromaticContact CD2-CE1 3.78Å; Y466-F483 HydrophobicContact CD2-CE1 3.78Å; Y466-F483 HydrophobicContact CE1-CE1 4.42Å; Y466-F483 HydrophobicContact CE2-CB 3.93Å; Y466-F483 HydrophobicContact CE2-CD1 4.15Å; Y466-F483 AromaticContact CE2-CE1 3.34Å; Y466-F483 HydrophobicContact CE2-CE1 3.34Å; Y466-F483 HydrophobicContact CE2-CG 4.41Å; Y466-F483 HydrophobicContact CE2-CZ 4Å; Y466-F483 AromaticContact CZ-CE1 3.69Å |
| 467 | T | 92.5 | Very high | 86.6 | Confident | 21.5 Ų | 21.5 | 38.3 Ų | 38.3 | 13% | 0.132 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 125.4 | -179.5 | -48.5 | 0 | 0 | 0 | 0 | 109.7 | W429 F430 V469 S479 D480 | W429-T467 CarbonylContact C-O 3.45Å; W429-T467 WeakPolarHBondContact CA-O 3.39Å; F430-T467 PolarHBondContact N-O 2.89Å; F430-T467 PolarHBondContact O-N 3.19Å; T467-V469 HydrophobicContact CG2-CG2 3.92Å; T467-S479 CarbonylContact C-O 3.53Å; T467-S479 WeakPolarHBondContact CA-O 3.32Å; T467-D480 VanDerWaalsContact CB-OD1 3.29Å; T467-D480 WeakPolarHBondContact CB-OD1 3.34Å; T467-D480 VanDerWaalsContact CG2-OD1 3.27Å; T467-D480 WeakPolarHBondContact CG2-OD1 3.35Å; T467-D480 PolarHBondContact OG1-OD1 3.18Å |
| 468 | C | 91.9 | Very high | 87 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 128.6 | 165 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | F394 L398 Q428 W429 S478 S479 | F394-C468 HydrophobicContact CE1-CB 4.35Å; F394-C468 HydrophobicContact CZ-CB 4.44Å; F394-C468 WeakPolarHBondContact CZ-O 3.45Å; L398-C468 HydrophobicContact CD1-CB 3.88Å; L398-C468 HydrophobicContact CD2-CB 3.94Å; L398-C468 HydrophobicContact CG-CB 4.09Å; Q428-C468 CarbonylContact O-C 3.49Å; Q428-C468 WeakPolarHBondContact O-CA 3.35Å; W429-C468 HydrophobicContact CD2-CB 4.33Å; W429-C468 HydrophobicContact CE3-CB 4.13Å; W429-C468 HydrophobicContact CH2-CB 4.2Å; W429-C468 HydrophobicContact CZ2-CB 4.32Å; W429-C468 HydrophobicContact CZ3-CB 4.09Å; C468-S478 CarbonylContact O-C 3.45Å; C468-S478 VanDerWaalsContact O-CA 3.23Å; C468-S478 WeakPolarHBondContact O-CA 3.23Å; C468-S479 PolarHBondContact N-O 2.81Å; C468-S479 PolarHBondContact O-N 3.03Å |
| 469 | V | 92.1 | Very high | 87.3 | Confident | 26.5 Ų | 26.5 | 41.7 Ų | 41.7 | 16% | 0.161 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.3 | 175.6 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | V427 Q428 F430 T467 A477 | V427-V469 CarbonylContact C-O 3.53Å; V427-V469 WeakPolarHBondContact CA-O 3.25Å; Q428-V469 HydrophobicContact CB-CB 4.29Å; Q428-V469 PolarHBondContact N-O 3.33Å; Q428-V469 PolarHBondContact O-N 3.3Å; F430-V469 HydrophobicContact CD2-CG2 3.95Å; F430-V469 HydrophobicContact CE2-CB 4.08Å; F430-V469 HydrophobicContact CE2-CG2 3.53Å; T467-V469 HydrophobicContact CG2-CG2 3.92Å; V469-A477 CarbonylContact C-O 3.52Å; V469-A477 WeakPolarHBondContact CA-O 3.29Å |
| 470 | L | 90 | Very high | 87.6 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131.2 | 177.4 | -53.5 | 172.3 | 0 | 0 | 0 | 108.3 | P392 F394 V417 M425 T426 V427 S476 A477 | P392-L470 HydrophobicContact CB-CB 3.77Å; P392-L470 HydrophobicContact CB-CD1 4.44Å; P392-L470 HydrophobicContact CG-CB 4.21Å; F394-L470 HydrophobicContact CD1-CD1 4.01Å; F394-L470 HydrophobicContact CD2-CD1 4.06Å; F394-L470 HydrophobicContact CE1-CD1 3.65Å; F394-L470 HydrophobicContact CE1-CG 4.01Å; F394-L470 HydrophobicContact CE2-CD1 3.65Å; F394-L470 HydrophobicContact CE2-CG 4.04Å; F394-L470 HydrophobicContact CG-CD1 4.22Å; F394-L470 HydrophobicContact CZ-CD1 3.46Å; F394-L470 VanDerWaalsContact CZ-CD1 3.46Å; F394-L470 HydrophobicContact CZ-CD2 4.48Å; F394-L470 HydrophobicContact CZ-CG 3.56Å; V417-L470 HydrophobicContact CB-CD1 3.7Å; V417-L470 HydrophobicContact CB-CD2 4.45Å; V417-L470 HydrophobicContact CG1-CD1 3.36Å; V417-L470 VanDerWaalsContact CG1-CD1 3.41Å; V417-L470 HydrophobicContact CG1-CD2 3.77Å; V417-L470 HydrophobicContact CG1-CG 4.19Å; M425-L470 HydrophobicContact SD-CB 4.09Å; T426-L470 CarbonylContact O-C 3.54Å; T426-L470 WeakPolarHBondContact O-CA 3.42Å; V427-L470 HydrophobicContact CB-CD2 4.35Å; V427-L470 HydrophobicContact CG1-CD2 4.22Å; V427-L470 HydrophobicContact CG2-CD2 3.66Å; L470-S476 CarbonylContact O-C 3.57Å; L470-S476 WeakPolarHBondContact O-CA 3.3Å; L470-S476 VanDerWaalsContact O-CB 3.25Å; L470-S476 WeakPolarHBondContact O-CB 3.46Å; L470-A477 PolarHBondContact N-O 3.09Å; L470-A477 PolarHBondContact O-N 3.06Å |
| 471 | T | 86.6 | Confident | 87.9 | Confident | 34 Ų | 34 | 39.3 Ų | 39.3 | 21% | 0.209 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 132.1 | 175 | -54.4 | 0 | 0 | 0 | 0 | 110 | M425 T426 G475 S476 | M425-T471 CarbonylContact C-O 3.57Å; M425-T471 WeakPolarHBondContact CA-O 3.21Å; T426-T471 PolarHBondContact N-O 3.02Å; T426-T471 PolarHBondContact O-N 3.16Å; T426-T471 WeakPolarHBondContact OG1-CB 3.41Å; T426-T471 PolarHBondContact OG1-O 3.15Å; T471-G475 WeakPolarHBondContact CA-O 3.27Å; T471-S476 WeakPolarHBondContact OG1-CB 3.33Å |
| 472 | N | 83.2 | Confident | 88.2 | Confident | 13 Ų | 13 | 36.7 Ų | 36.7 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | -176.8 | 169.3 | 77.1 | 0.4 | 0 | 0 | 0 | 110.4 | S390 P392 D422 T424 M425 L474 G475 | S390-N472 PolarHBondContact O-ND2 3.08Å; P392-N472 VanDerWaalsContact CD-OD1 3.25Å; P392-N472 WeakPolarHBondContact CD-OD1 3.47Å; D422-N472 VanDerWaalsContact OD2-CB 3.25Å; D422-N472 WeakPolarHBondContact OD2-CB 3.42Å; D422-N472 PolarHBondContact OD2-ND2 2.98Å; T424-N472 WeakPolarHBondContact O-CA 3.41Å; M425-N472 HydrophobicContact CE-CB 4.28Å; M425-N472 HydrophobicContact SD-CB 4.13Å; N472-L474 PolarHBondContact O-N 3.22Å; N472-L474 WeakPolarHBondContact OD1-CA 3.32Å; N472-L474 WeakPolarHBondContact OD1-CB 3.43Å; N472-L474 PolarHBondContact OD1-N 2.85Å; N472-G475 PolarHBondContact N-O 3.33Å; N472-G475 PolarHBondContact O-N 2.99Å; N472-G475 PolarHBondContact OD1-N 2.88Å; N472-G475 VanDerWaalsContact OD1-N 3.11Å; N472-G475 PolarHBondContact OD1-O 3.29Å |
| 473 | S | 77.1 | Confident | 88 | Confident | 90 Ų | 90 | 36.7 Ų | 36.7 | 63% | 0.629 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -12.5 | 178.4 | 54.2 | 0 | 0 | 0 | 0 | 115.7 | T424 | T424-S473 PolarHBondContact OG1-N 3.18Å; T424-S473 PolarHBondContact OG1-OG 3.02Å |
| 474 | L | 79.9 | Confident | 88 | Confident | 96 Ų | 96 | 38.5 Ų | 38.5 | 50% | 0.503 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -10.2 | -176.1 | -66 | 173.3 | 0 | 0 | 0 | 114.4 | A389 A391 N472 | A389-L474 HydrophobicContact CB-CD1 3.61Å; A389-L474 WeakPolarHBondContact O-CD1 3.46Å; A391-L474 HydrophobicContact CB-CB 4.35Å; N472-L474 PolarHBondContact O-N 3.22Å; N472-L474 WeakPolarHBondContact OD1-CA 3.32Å; N472-L474 WeakPolarHBondContact OD1-CB 3.43Å; N472-L474 PolarHBondContact OD1-N 2.85Å |
| 475 | G | 82.9 | Confident | 87.7 | Confident | 28.5 Ų | 28.5 | 38.5 Ų | 38.5 | 29% | 0.294 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.9 | -168 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P392 T471 N472 | P392-G475 VanDerWaalsContact CD-C 3.41Å; P392-G475 WeakPolarHBondContact CD-O 3.12Å; P392-G475 WeakPolarHBondContact CG-O 3.26Å; T471-G475 WeakPolarHBondContact CA-O 3.27Å; N472-G475 PolarHBondContact N-O 3.33Å; N472-G475 PolarHBondContact O-N 2.99Å; N472-G475 PolarHBondContact OD1-N 2.88Å; N472-G475 VanDerWaalsContact OD1-N 3.11Å; N472-G475 PolarHBondContact OD1-O 3.29Å |
| 476 | S | 87 | Confident | 87.1 | Confident | 85 Ų | 85 | 39.5 Ų | 39.5 | 59% | 0.594 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 154.2 | 175.3 | 61.4 | 0 | 0 | 0 | 0 | 112.1 | L470 T471 | L470-S476 CarbonylContact O-C 3.57Å; L470-S476 WeakPolarHBondContact O-CA 3.3Å; L470-S476 VanDerWaalsContact O-CB 3.25Å; L470-S476 WeakPolarHBondContact O-CB 3.46Å; T471-S476 WeakPolarHBondContact OG1-CB 3.33Å |
| 477 | A | 89.2 | Confident | 85.6 | Confident | 23.5 Ų | 23.5 | 42.2 Ų | 42.2 | 19% | 0.194 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 154.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | P392 F394 V469 L470 | P392-A477 HydrophobicContact CG-CB 4.34Å; P392-A477 VanDerWaalsContact O-CB 3.29Å; P392-A477 WeakPolarHBondContact O-CB 3.45Å; F394-A477 HydrophobicContact CD2-CB 3.92Å; F394-A477 HydrophobicContact CE2-CB 3.69Å; V469-A477 CarbonylContact C-O 3.52Å; V469-A477 WeakPolarHBondContact CA-O 3.29Å; L470-A477 PolarHBondContact N-O 3.09Å; L470-A477 PolarHBondContact O-N 3.06Å |
| 478 | S | 91.4 | Very high | 83.8 | Confident | 77 Ų | 77 | 46.2 Ų | 46.2 | 54% | 0.538 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 150.3 | 173.3 | 60 | 0 | 0 | 0 | 0 | 112.1 | F394 C468 | F394-S478 WeakPolarHBondContact CE2-O 3.43Å; C468-S478 CarbonylContact O-C 3.45Å; C468-S478 VanDerWaalsContact O-CA 3.23Å; C468-S478 WeakPolarHBondContact O-CA 3.23Å |
| 479 | S | 91.9 | Very high | 81.5 | Confident | 10.5 Ų | 10.5 | 50.6 Ų | 50.6 | 7% | 0.073 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 142.4 | 172.1 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | F394 P397 L398 T467 C468 | F394-S479 VanDerWaalsContact CE1-CB 3.43Å; P397-S479 WeakPolarHBondContact CA-OG 3.45Å; P397-S479 VanDerWaalsContact CB-OG 3.3Å; P397-S479 WeakPolarHBondContact CB-OG 3.28Å; L398-S479 WeakPolarHBondContact CD1-O 3.36Å; L398-S479 PolarHBondContact N-OG 2.96Å; T467-S479 CarbonylContact C-O 3.53Å; T467-S479 WeakPolarHBondContact CA-O 3.32Å; C468-S479 PolarHBondContact N-O 2.81Å; C468-S479 PolarHBondContact O-N 3.03Å |
| 480 | D | 91.5 | Very high | 79 | Confident | 89 Ų | 89 | 57.7 Ų | 57.7 | 48% | 0.476 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 145 | -176.4 | -60.7 | -63.9 | 0 | 0 | 0 | 111.9 | T465 Y466 T467 | T465-D480 HydrophobicContact CG2-CB 3.89Å; Y466-D480 CarbonylContact O-C 3.49Å; Y466-D480 VanDerWaalsContact O-CA 3.3Å; Y466-D480 WeakPolarHBondContact O-CA 3.44Å; T467-D480 VanDerWaalsContact CB-OD1 3.29Å; T467-D480 WeakPolarHBondContact CB-OD1 3.34Å; T467-D480 VanDerWaalsContact CG2-OD1 3.27Å; T467-D480 WeakPolarHBondContact CG2-OD1 3.35Å; T467-D480 PolarHBondContact OG1-OD1 3.18Å |
| 481 | A | 89.3 | Confident | 76.6 | Confident | 2.5 Ų | 2.5 | 64.2 Ų | 64.2 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 135.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L398 S401 L413 T465 Y466 | L398-A481 HydrophobicContact CB-CB 3.81Å; L398-A481 HydrophobicContact CD1-CB 4.07Å; S401-A481 CarbonylContact O-C 3.58Å; S401-A481 WeakPolarHBondContact O-CA 3.32Å; L413-A481 HydrophobicContact CD2-CB 3.88Å; T465-A481 CarbonylContact C-O 3.56Å; T465-A481 WeakPolarHBondContact CA-O 3.42Å; Y466-A481 PolarHBondContact N-O 3.25Å; Y466-A481 PolarHBondContact O-N 3.15Å |
| 482 | N | 87.9 | Confident | 74.2 | Confident | 78.5 Ų | 78.5 | 66.3 Ų | 66.3 | 42% | 0.42 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 134.1 | 179.5 | -120.3 | -14.8 | 0 | 0 | 0 | 111.2 | S401 N402 S403 G464 T465 | S401-N482 PolarHBondContact O-N 3.22Å; N402-N482 CarbonylContact C-O 3.52Å; N402-N482 WeakPolarHBondContact CA-O 3.18Å; N402-N482 WeakPolarHBondContact OD1-CB 3.02Å; S403-N482 PolarHBondContact N-O 2.82Å; G464-N482 WeakPolarHBondContact O-CA 3.31Å; G464-N482 PolarHBondContact O-OD1 2.98Å; T465-N482 WeakPolarHBondContact CA-OD1 3.42Å; T465-N482 VanDerWaalsContact CB-OD1 3.26Å; T465-N482 WeakPolarHBondContact CB-OD1 3.28Å; T465-N482 WeakPolarHBondContact CG2-OD1 3.46Å; T465-N482 PolarHBondContact N-OD1 3.47Å; T465-N482 PolarHBondContact OG1-OD1 2.87Å |
| 483 | F | 85.1 | Confident | 72.2 | Confident | 1.5 Ų | 1.5 | 70.5 Ų | 70.5 | 1% | 0.007 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 146.6 | 174.9 | 122.9 | -96.4 | 0 | 0 | 0 | 110.9 | S403 L405 L411 V458 D462 S463 G464 Y466 C485 | S403-F483 CarbonylContact O-C 3.59Å; S403-F483 VanDerWaalsContact O-CA 3.32Å; S403-F483 WeakPolarHBondContact O-CA 3.48Å; S403-F483 WeakPolarHBondContact OG-CD2 3.49Å; L405-F483 HydrophobicContact CB-CD2 4.45Å; L405-F483 HydrophobicContact CB-CE2 3.49Å; L405-F483 VanDerWaalsContact CB-CE2 3.49Å; L405-F483 HydrophobicContact CB-CZ 3.99Å; L405-F483 HydrophobicContact CD1-CD2 4.04Å; L405-F483 HydrophobicContact CD1-CE2 3.89Å; L405-F483 HydrophobicContact CD1-CZ 4.22Å; L405-F483 HydrophobicContact CG-CD2 4.28Å; L405-F483 HydrophobicContact CG-CE2 3.49Å; L405-F483 VanDerWaalsContact CG-CE2 3.49Å; L405-F483 HydrophobicContact CG-CZ 4.37Å; L411-F483 HydrophobicContact CD1-CD1 3.74Å; L411-F483 HydrophobicContact CD1-CD2 4.24Å; L411-F483 HydrophobicContact CD1-CE1 4.03Å; L411-F483 HydrophobicContact CD1-CG 4.13Å; L411-F483 HydrophobicContact CD2-CB 3.97Å; L411-F483 HydrophobicContact CD2-CD1 3.83Å; L411-F483 HydrophobicContact CD2-CD2 4.12Å; L411-F483 HydrophobicContact CD2-CE1 3.23Å; L411-F483 HydrophobicContact CD2-CG 3.65Å; L411-F483 HydrophobicContact CD2-CZ 3.84Å; L411-F483 HydrophobicContact CG-CD1 4.38Å; L411-F483 HydrophobicContact CG-CE1 4.19Å; V458-F483 HydrophobicContact CB-CZ 4.46Å; V458-F483 HydrophobicContact CG1-CD1 4.44Å; V458-F483 HydrophobicContact CG1-CE1 3.26Å; V458-F483 HydrophobicContact CG1-CE2 3.9Å; V458-F483 HydrophobicContact CG1-CZ 3.61Å; D462-F483 HydrophobicContact CB-CE1 4.3Å; D462-F483 HydrophobicContact CB-CZ 4.09Å; D462-F483 VanDerWaalsContact O-CD1 3.31Å; D462-F483 WeakPolarHBondContact O-CD1 3.14Å; D462-F483 WeakPolarHBondContact O-CZ 3.05Å; S463-F483 CarbonylContact C-O 3.45Å; S463-F483 WeakPolarHBondContact CA-O 3.3Å; G464-F483 PolarHBondContact N-O 3.05Å; G464-F483 PolarHBondContact O-N 3.17Å; Y466-F483 HydrophobicContact CD2-CB 4.11Å; Y466-F483 HydrophobicContact CD2-CD1 4.27Å; Y466-F483 AromaticContact CD2-CE1 3.78Å; Y466-F483 HydrophobicContact CD2-CE1 3.78Å; Y466-F483 HydrophobicContact CE1-CE1 4.42Å; Y466-F483 HydrophobicContact CE2-CB 3.93Å; Y466-F483 HydrophobicContact CE2-CD1 4.15Å; Y466-F483 AromaticContact CE2-CE1 3.34Å; Y466-F483 HydrophobicContact CE2-CE1 3.34Å; Y466-F483 HydrophobicContact CE2-CG 4.41Å; Y466-F483 HydrophobicContact CE2-CZ 4Å; Y466-F483 AromaticContact CZ-CE1 3.69Å; F483-C485 HydrophobicContact CE1-CB 3.8Å; F483-C485 HydrophobicContact CE2-CB 4.44Å; F483-C485 HydrophobicContact CZ-CB 3.52Å; F483-C485 VanDerWaalsContact CZ-N 3.31Å |
| 484 | V | 86.7 | Confident | 70.4 | Confident | 71.5 Ų | 71.5 | 74.7 Ų | 74.7 | 43% | 0.433 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.1 | 176.4 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | S403 T404 L405 V486 | S403-V484 PolarHBondContact O-N 2.91Å; T404-V484 CarbonylContact C-O 3.53Å; T404-V484 VanDerWaalsContact CA-O 3.3Å; T404-V484 WeakPolarHBondContact CA-O 3.36Å; L405-V484 PolarHBondContact N-O 2.97Å; V484-V486 HydrophobicContact CG1-CG1 4.47Å |
| 485 | C | 83.2 | Confident | 68.7 | Low | 10 Ų | 10 | 75.4 Ų | 75.4 | 7% | 0.068 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 121.3 | 170.1 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | L405 V458 Y459 S463 F483 | L405-C485 CarbonylContact O-C 3.54Å; L405-C485 VanDerWaalsContact O-CA 3.28Å; L405-C485 WeakPolarHBondContact O-CA 3.33Å; V458-C485 HydrophobicContact CG1-CB 3.97Å; Y459-C485 WeakPolarHBondContact O-CB 3.4Å; Y459-C485 PolarHBondContact O-SG 3.12Å; S463-C485 WeakPolarHBondContact OG-CB 3.22Å; S463-C485 PolarHBondContact OG-N 2.81Å; F483-C485 HydrophobicContact CE1-CB 3.8Å; F483-C485 HydrophobicContact CE2-CB 4.44Å; F483-C485 HydrophobicContact CZ-CB 3.52Å; F483-C485 VanDerWaalsContact CZ-N 3.31Å |
| 486 | V | 77.6 | Confident | 67 | Low | 72 Ų | 72 | 79.2 Ų | 79.2 | 44% | 0.436 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 118 | 173.2 | -78.4 | 0 | 0 | 0 | 0 | 109.5 | T404 L405 T406 E407 V484 | T404-V486 HydrophobicContact CG2-CG1 4.25Å; T404-V486 HydrophobicContact CG2-CG2 3.88Å; L405-V486 VanDerWaalsContact O-CG2 3.28Å; L405-V486 WeakPolarHBondContact O-CG2 3.3Å; L405-V486 PolarHBondContact O-N 3.08Å; T406-V486 VanDerWaalsContact CA-O 3.31Å; T406-V486 WeakPolarHBondContact CA-O 3.38Å; T406-V486 HydrophobicContact CG2-CG2 4.31Å; E407-V486 PolarHBondContact N-O 3.18Å; V484-V486 HydrophobicContact CG1-CG1 4.47Å |
| 487 | S | 61.6 | Low | 65.3 | Low | 55.5 Ų | 55.5 | 81.2 Ų | 81.2 | 39% | 0.388 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 136.2 | 170.4 | 122.2 | 0 | 0 | 0 | 0 | 109.7 | E407 V489 | E407-S487 VanDerWaalsContact OE2-CB 3.29Å; E407-S487 WeakPolarHBondContact OE2-CB 3.39Å; E407-S487 PolarHBondContact OE2-OG 3.4Å; S487-V489 VanDerWaalsContact C-N 3.32Å; S487-V489 PolarHBondContact O-N 3.12Å; S487-V489 PolarHBondContact OG-N 2.96Å |
| 488 | S | 53 | Low | 63.3 | Low | 106.5 Ų | 106.5 | 82.1 Ų | 82.1 | 75% | 0.745 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -82.9 | 3.1 | 177.4 | 46.3 | 0 | 0 | 0 | 0 | 113.3 | Q490 | S488-Q490 PolarHBondContact O-N 3.33Š|
| 489 | V | 44.6 | Very low | 61.2 | Low | 91.5 Ų | 91.5 | 86.3 Ų | 86.3 | 56% | 0.555 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -105.3 | 108.6 | 178.4 | -172.3 | 0 | 0 | 0 | 0 | 110.7 | S487 L491 | S487-V489 VanDerWaalsContact C-N 3.32Å; S487-V489 PolarHBondContact O-N 3.12Å; S487-V489 PolarHBondContact OG-N 2.96Å; V489-L491 HydrophobicContact CG1-CD1 3.87Å; V489-L491 HydrophobicContact CG1-CD2 4.06Å; V489-L491 HydrophobicContact CG1-CG 4.01Å; V489-L491 PolarHBondContact O-N 3.34Å |
| 490 | Q | 38.6 | Very low | 59.7 | Low | 175.5 Ų | 175.5 | 90.5 Ų | 90.5 | 82% | 0.82 | 50% | 0.498 | S | S | * | . | trans | -76.4 | 93.9 | 170.9 | -77.4 | -173.6 | -29.3 | 0 | 0 | 111 | S488 | S488-Q490 PolarHBondContact O-N 3.33Š| ||
| 491 | L | 40.5 | Very low | 57.9 | Low | 137 Ų | 137 | 92.1 Ų | 92.1 | 72% | 0.717 | 50% | 0.503 | S | S | * | . | trans | -101.8 | 30.7 | 164.3 | -68.5 | 172.4 | 0 | 0 | 0 | 111.1 | V489 T493 | V489-L491 HydrophobicContact CG1-CD1 3.87Å; V489-L491 HydrophobicContact CG1-CD2 4.06Å; V489-L491 HydrophobicContact CG1-CG 4.01Å; V489-L491 PolarHBondContact O-N 3.34Å; L491-T493 PolarHBondContact O-N 2.97Å | ||
| 492 | A | 35 | Very low | 56.5 | Low | 77 Ų | 77 | 95.3 Ų | 95.3 | 64% | 0.636 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -78.2 | 110.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 493 | T | 41.7 | Very low | 55.1 | Low | 102.5 Ų | 102.5 | 95.7 Ų | 95.7 | 63% | 0.629 | 52% | 0.521 | S | S | * | . | trans | -108.2 | 122.4 | 169.6 | 88 | 0 | 0 | 0 | 0 | 109.7 | L491 H495 S498 | L491-T493 PolarHBondContact O-N 2.97Å; T493-H495 PolarHBondContact O-N 2.83Å; T493-H495 WeakPolarHBondContact OG1-CB 3.37Å; T493-H495 PolarHBondContact OG1-N 2.77Å; T493-S498 WeakPolarHBondContact CB-OG 3.11Å; T493-S498 WeakPolarHBondContact CG2-OG 3.49Å; T493-S498 PolarHBondContact O-OG 3.17Å; T493-S498 PolarHBondContact OG1-OG 2.86Å | ||
| 494 | Q | 40.5 | Very low | 54 | Low | 178.5 Ų | 178.5 | 101.8 Ų | 101.8 | 83% | 0.834 | 55% | 0.552 | S | S | * | * | S | Bend | 3.3 | 49.1 | 127 | -67.4 | -174.8 | 18.5 | 0 | 0 | 114.2 | |||
| 495 | H | 43 | Very low | 52.3 | Low | 110.5 Ų | 110.5 | 105.1 Ų | 105.1 | 51% | 0.512 | 57% | 0.566 | S | S | . | * | trans | -138.5 | 128.8 | 145.1 | -152.5 | -107.9 | 0 | 0 | 0 | 111.4 | T493 Q497 S498 | T493-H495 PolarHBondContact O-N 2.83Å; T493-H495 WeakPolarHBondContact OG1-CB 3.37Å; T493-H495 PolarHBondContact OG1-N 2.77Å; H495-Q497 VanDerWaalsContact C-N 3.25Å; H495-Q497 PolarHBondContact CE1-OE1 3.34Å; H495-Q497 WeakPolarHBondContact ND1-CB 3.4Å; H495-Q497 PolarHBondContact ND1-N 3.38Å; H495-Q497 PolarHBondContact ND1-OE1 2.88Å; H495-Q497 PolarHBondContact O-N 2.84Å; H495-S498 PolarHBondContact O-N 2.98Å; H495-S498 PolarHBondContact O-OG 3.18Å | ||
| 496 | P | 48.4 | Very low | 50.8 | Low | 108.5 Ų | 108.5 | 111.4 Ų | 111.4 | 71% | 0.705 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -58.7 | -26.8 | -178.5 | -26.1 | 34.4 | 0 | 0 | 0 | 115.2 | S498 Y499 | P496-S498 VanDerWaalsContact C-N 3.33Å; P496-S498 PolarHBondContact O-N 2.77Å; P496-Y499 PolarHBondContact O-N 3.42Å |
| 497 | Q | 50.5 | Low | 49.3 | Very low | 127 Ų | 127 | 110.6 Ų | 110.6 | 59% | 0.593 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -75.8 | -17.8 | -176.5 | -67.6 | 171.4 | -27 | 0 | 0 | 114.5 | H495 Y499 Q501 | H495-Q497 VanDerWaalsContact C-N 3.25Å; H495-Q497 PolarHBondContact CE1-OE1 3.34Å; H495-Q497 WeakPolarHBondContact ND1-CB 3.4Å; H495-Q497 PolarHBondContact ND1-N 3.38Å; H495-Q497 PolarHBondContact ND1-OE1 2.88Å; H495-Q497 PolarHBondContact O-N 2.84Å; Q497-Y499 VanDerWaalsContact C-N 3.31Å; Q497-Y499 PolarHBondContact O-N 3.36Å; Q497-Q501 PolarHBondContact O-N 3.31Å |
| 498 | S | 46.3 | Very low | 48.2 | Very low | 42 Ų | 42 | 113.5 Ų | 113.5 | 29% | 0.294 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -72.6 | -25.6 | 178.6 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | T493 H495 P496 Q501 I502 | T493-S498 WeakPolarHBondContact CB-OG 3.11Å; T493-S498 WeakPolarHBondContact CG2-OG 3.49Å; T493-S498 PolarHBondContact O-OG 3.17Å; T493-S498 PolarHBondContact OG1-OG 2.86Å; H495-S498 PolarHBondContact O-N 2.98Å; H495-S498 PolarHBondContact O-OG 3.18Å; P496-S498 VanDerWaalsContact C-N 3.33Å; P496-S498 PolarHBondContact O-N 2.77Å; S498-Q501 PolarHBondContact O-N 3.19Å; S498-I502 WeakPolarHBondContact O-CB 3.31Å; S498-I502 WeakPolarHBondContact O-CD1 3.39Å; S498-I502 VanDerWaalsContact O-CG1 3.23Å; S498-I502 WeakPolarHBondContact O-CG1 3.26Å; S498-I502 PolarHBondContact O-N 3.42Å |
| 499 | Y | 48.7 | Very low | 47.6 | Very low | 164 Ų | 164 | 118.5 Ų | 118.5 | 64% | 0.643 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.4 | -41.4 | 176.3 | -161.3 | -101.7 | 0 | 0 | 0 | 111.8 | P496 Q497 Q501 I502 L503 | P496-Y499 PolarHBondContact O-N 3.42Å; Q497-Y499 VanDerWaalsContact C-N 3.31Å; Q497-Y499 PolarHBondContact O-N 3.36Å; Y499-Q501 VanDerWaalsContact C-N 3.32Å; Y499-Q501 PolarHBondContact O-N 3.09Å; Y499-I502 PolarHBondContact O-N 2.88Å; Y499-L503 HydrophobicContact CD1-CD1 3.76Å; Y499-L503 HydrophobicContact CD1-CG 4.41Å; Y499-L503 HydrophobicContact CE1-CD1 3.67Å; Y499-L503 HydrophobicContact CE1-CG 4.33Å; Y499-L503 PolarHBondContact O-N 3.07Å |
| 500 | D | 59.3 | Low | 47.5 | Very low | 98.5 Ų | 98.5 | 122.8 Ų | 122.8 | 53% | 0.527 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -62.4 | -38.4 | 174.4 | -69.9 | -29.8 | 0 | 0 | 0 | 111.8 | L503 I504 | D500-L503 PolarHBondContact O-N 3Å; D500-I504 WeakPolarHBondContact O-CD1 3.24Å; D500-I504 VanDerWaalsContact O-CG1 3.25Å; D500-I504 WeakPolarHBondContact O-CG1 3.32Å; D500-I504 PolarHBondContact O-N 2.87Å |
| 501 | Q | 55.3 | Low | 47.4 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 58% | 0.579 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72.4 | -32.3 | 179.5 | -103 | 171 | -21.1 | 0 | 0 | 113 | Q497 S498 Y499 I504 L505 | Q497-Q501 PolarHBondContact O-N 3.31Å; S498-Q501 PolarHBondContact O-N 3.19Å; Y499-Q501 VanDerWaalsContact C-N 3.32Å; Y499-Q501 PolarHBondContact O-N 3.09Å; Q501-I504 PolarHBondContact O-N 2.96Å; Q501-L505 WeakPolarHBondContact O-CD1 3.24Å; Q501-L505 VanDerWaalsContact O-CG 3.31Å; Q501-L505 WeakPolarHBondContact O-CG 3.29Å; Q501-L505 PolarHBondContact O-N 3.25Å |
| 502 | I | 58.7 | Low | 47.1 | Very low | 69.5 Ų | 69.5 | 122.5 Ų | 122.5 | 36% | 0.356 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.5 | -43.9 | 172.1 | -69.1 | 164.7 | 0 | 0 | 0 | 110.1 | S498 Y499 I504 L505 E506 | S498-I502 WeakPolarHBondContact O-CB 3.31Å; S498-I502 WeakPolarHBondContact O-CD1 3.39Å; S498-I502 VanDerWaalsContact O-CG1 3.23Å; S498-I502 WeakPolarHBondContact O-CG1 3.26Å; S498-I502 PolarHBondContact O-N 3.42Å; Y499-I502 PolarHBondContact O-N 2.88Å; I502-I504 VanDerWaalsContact C-N 3.3Å; I502-I504 PolarHBondContact O-N 3.09Å; I502-L505 PolarHBondContact O-N 3.2Å; I502-L505 VanDerWaalsContact O-N 3.08Å; I502-E506 HydrophobicContact CG2-CG 4.22Å; I502-E506 WeakPolarHBondContact O-CB 3.39Å; I502-E506 WeakPolarHBondContact O-CG 3.37Å; I502-E506 PolarHBondContact O-N 3.1Å |
| 503 | L | 58 | Low | 47.1 | Very low | 87.5 Ų | 87.5 | 122.7 Ų | 122.7 | 46% | 0.458 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -61.1 | -32.1 | 173.8 | -79.3 | 167.8 | 0 | 0 | 0 | 113.4 | Y499 D500 A507 | Y499-L503 HydrophobicContact CD1-CD1 3.76Å; Y499-L503 HydrophobicContact CD1-CG 4.41Å; Y499-L503 HydrophobicContact CE1-CD1 3.67Å; Y499-L503 HydrophobicContact CE1-CG 4.33Å; Y499-L503 PolarHBondContact O-N 3.07Å; D500-L503 PolarHBondContact O-N 3Å; L503-A507 WeakPolarHBondContact O-CB 3.45Å; L503-A507 PolarHBondContact O-N 3.08Å; L503-A507 VanDerWaalsContact O-N 3.14Å |
| 504 | I | 61.9 | Low | 47.1 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 66% | 0.662 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71.6 | -31.9 | 173.8 | -70.4 | 163.5 | 0 | 0 | 0 | 111.9 | D500 Q501 I502 | D500-I504 WeakPolarHBondContact O-CD1 3.24Å; D500-I504 VanDerWaalsContact O-CG1 3.25Å; D500-I504 WeakPolarHBondContact O-CG1 3.32Å; D500-I504 PolarHBondContact O-N 2.87Å; Q501-I504 PolarHBondContact O-N 2.96Å; I502-I504 VanDerWaalsContact C-N 3.3Å; I502-I504 PolarHBondContact O-N 3.09Å |
| 505 | L | 52.3 | Low | 47 | Very low | 140.5 Ų | 140.5 | 125.8 Ų | 125.8 | 74% | 0.736 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -82.4 | -30 | 178.8 | -71.4 | 167 | 0 | 0 | 0 | 113 | Q501 I502 | Q501-L505 WeakPolarHBondContact O-CD1 3.24Å; Q501-L505 VanDerWaalsContact O-CG 3.31Å; Q501-L505 WeakPolarHBondContact O-CG 3.29Å; Q501-L505 PolarHBondContact O-N 3.25Å; I502-L505 PolarHBondContact O-N 3.2Å; I502-L505 VanDerWaalsContact O-N 3.08Å |
| 506 | E | 51.7 | Low | 47 | Very low | 143 Ų | 143 | 129.5 Ų | 129.5 | 67% | 0.668 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -87.7 | -10 | 177.7 | -67.7 | -179.5 | 166.2 | 0 | 0 | 113.3 | I502 | I502-E506 HydrophobicContact CG2-CG 4.22Å; I502-E506 WeakPolarHBondContact O-CB 3.39Å; I502-E506 WeakPolarHBondContact O-CG 3.37Å; I502-E506 PolarHBondContact O-N 3.1Å |
| 507 | A | 44.6 | Very low | 46.4 | Very low | 54 Ų | 54 | 133.7 Ų | 133.7 | 45% | 0.446 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -61.4 | 127.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L503 K509 | L503-A507 WeakPolarHBondContact O-CB 3.45Å; L503-A507 PolarHBondContact O-N 3.08Å; L503-A507 VanDerWaalsContact O-N 3.14Å; A507-K509 PolarHBondContact O-N 3.09Å; A507-K509 VanDerWaalsContact O-N 3.16Å |
| 508 | P | 40.5 | Very low | 46.2 | Very low | 117.5 Ų | 117.5 | 135.4 Ų | 135.4 | 76% | 0.763 | 70% | 0.698 | S | S | * | * | trans | -63.2 | 123.9 | -179.6 | 23.5 | -30.9 | 0 | 0 | 0 | 109.9 | Q510 | P508-Q510 VanDerWaalsContact C-N 3.3Å; P508-Q510 PolarHBondContact O-N 2.8Å | ||
| 509 | K | 39.3 | Very low | 46.5 | Very low | 210.5 Ų | 210.5 | 138.9 Ų | 138.9 | 92% | 0.915 | 72% | 0.719 | S | S | * | * | trans | -58.2 | 92.7 | -179.6 | -71.5 | -178.2 | 178.4 | 175.6 | 0 | 111.2 | A507 | A507-K509 PolarHBondContact O-N 3.09Å; A507-K509 VanDerWaalsContact O-N 3.16Å | ||
| 510 | Q | 41.8 | Very low | 46.8 | Very low | 182.5 Ų | 182.5 | 134.7 Ų | 134.7 | 85% | 0.853 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 143.4 | 166 | -74.3 | -174.8 | -9.6 | 0 | 0 | 109.5 | P508 A512 | P508-Q510 VanDerWaalsContact C-N 3.3Å; P508-Q510 PolarHBondContact O-N 2.8Å; Q510-A512 PolarHBondContact O-N 3.17Å; Q510-A512 VanDerWaalsContact O-N 3.07Å |
| 511 | K | 37.1 | Very low | 47.4 | Very low | 208.5 Ų | 208.5 | 132.5 Ų | 132.5 | 91% | 0.907 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 120.8 | -177.2 | -70.4 | 175.4 | 175.4 | 176.7 | 0 | 111.6 | A513 | K511-A513 PolarHBondContact O-N 2.87Š|
| 512 | A | 34.5 | Very low | 48.8 | Very low | 98 Ų | 98 | 129.8 Ų | 129.8 | 81% | 0.81 | 71% | 0.706 | S | S | * | * | trans | -73.4 | 101.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q510 | Q510-A512 PolarHBondContact O-N 3.17Å; Q510-A512 VanDerWaalsContact O-N 3.07Å | ||
| 513 | A | 36.1 | Very low | 50.2 | Low | 80.5 Ų | 80.5 | 126.6 Ų | 126.6 | 67% | 0.665 | 69% | 0.69 | S | S | * | * | trans | -111.3 | 137.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | K511 | K511-A513 PolarHBondContact O-N 2.87Š| ||
| 514 | D | 40.1 | Very low | 51.6 | Low | 158 Ų | 158 | 128.1 Ų | 128.1 | 85% | 0.845 | 70% | 0.695 | S | S | * | * | trans | 72.3 | 71.8 | 172.9 | -50 | -19.9 | 0 | 0 | 0 | 117 | ||||
| 515 | Q | 38.1 | Very low | 53 | Low | 189 Ų | 189 | 123.3 Ų | 123.3 | 88% | 0.883 | 67% | 0.669 | S | S | * | * | trans | -143.2 | 144.9 | 150.5 | -96.2 | 170.1 | 33.2 | 0 | 0 | 111.2 | ||||
| 516 | E | 42.9 | Very low | 54.8 | Low | 187 Ų | 187 | 120.8 Ų | 120.8 | 87% | 0.874 | 66% | 0.66 | S | S | * | * | trans | -63.4 | 136.7 | -163.2 | -69.1 | 169.4 | 122.1 | 0 | 0 | 114.4 | L518 | E516-L518 PolarHBondContact O-N 2.8Š| ||
| 517 | E | 36.8 | Very low | 56.6 | Low | 197.5 Ų | 197.5 | 118.7 Ų | 118.7 | 92% | 0.923 | 65% | 0.65 | S | S | * | * | trans | -63.3 | 103.9 | 167.3 | -73.3 | -177.4 | 138.6 | 0 | 0 | 109.9 | ||||
| 518 | L | 46.5 | Very low | 58.9 | Low | 162.5 Ų | 162.5 | 123 Ų | 123 | 85% | 0.851 | 66% | 0.659 | S | S | * | * | trans | -61 | 128 | 165.7 | -85.2 | 154.2 | 0 | 0 | 0 | 108.5 | E516 A520 | E516-L518 PolarHBondContact O-N 2.8Å; L518-A520 PolarHBondContact O-N 2.72Å | ||
| 519 | P | 51.9 | Low | 61.4 | Low | 114.5 Ų | 114.5 | 117.7 Ų | 117.7 | 74% | 0.744 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -61 | 130.2 | -175.7 | 23.7 | -32.8 | 0 | 0 | 0 | 110.2 | A521 | P519-A521 PolarHBondContact O-N 3.19Å; P519-A521 VanDerWaalsContact O-N 3.1Å |
| 520 | A | 55.6 | Low | 63.8 | Low | 77 Ų | 77 | 110.4 Ų | 110.4 | 64% | 0.636 | 60% | 0.599 | S | S | * | * | trans | -54.4 | 112 | -180 | 0 | 0 | 0 | 0 | 0 | 110.4 | L518 S604 | L518-A520 PolarHBondContact O-N 2.72Å; A520-S604 VanDerWaalsContact C-OG 3.26Å; A520-S604 WeakPolarHBondContact CB-OG 3.32Å; A520-S604 VanDerWaalsContact O-CB 3.3Å; A520-S604 WeakPolarHBondContact O-CB 3.25Å; A520-S604 PolarHBondContact O-OG 2.99Å | ||
| 521 | A | 71.5 | Confident | 66.2 | Low | 52.5 Ų | 52.5 | 108.4 Ų | 108.4 | 43% | 0.434 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -82.4 | 142.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | P519 P549 N602 | P519-A521 PolarHBondContact O-N 3.19Å; P519-A521 VanDerWaalsContact O-N 3.1Å; A521-P549 HydrophobicContact CB-CG 4.48Å; A521-N602 PolarHBondContact O-ND2 3.18Å |
| 522 | T | 84 | Confident | 68.8 | Low | 66 Ų | 66 | 105.4 Ų | 105.4 | 41% | 0.405 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 140.2 | 166.9 | 54.2 | 0 | 0 | 0 | 0 | 110 | Q524 S604 | T522-Q524 PolarHBondContact O-N 3.32Å; T522-S604 WeakPolarHBondContact CG2-O 3.44Å |
| 523 | P | 88 | Confident | 71.4 | Confident | 2.5 Ų | 2.5 | 103.5 Ų | 103.5 | 2% | 0.016 | 56% | 0.558 | C | S | . | * | P | Polyproline II helix | trans | -67.2 | 139.7 | -178.9 | 29.8 | -34.1 | 0 | 0 | 0 | 110.7 | V547 T548 L555 V600 N602 G605 A607 | P523-V547 HydrophobicContact CB-CG2 4.03Å; P523-T548 CarbonylContact C-O 3.54Å; P523-T548 VanDerWaalsContact CA-O 3.25Å; P523-T548 WeakPolarHBondContact CA-O 3.41Å; P523-L555 HydrophobicContact CB-CD1 3.51Å; P523-L555 HydrophobicContact CG-CD1 4.18Å; P523-V600 HydrophobicContact CB-CB 4.48Å; P523-V600 HydrophobicContact CB-CG2 3.93Å; P523-V600 HydrophobicContact CG-CG2 4.13Å; P523-N602 VanDerWaalsContact CD-OD1 3.32Å; P523-N602 WeakPolarHBondContact CD-OD1 3.4Å; P523-G605 WeakPolarHBondContact CD-O 3.39Å; P523-A607 VanDerWaalsContact O-CB 3.23Å; P523-A607 WeakPolarHBondContact O-CB 3.45Å |
| 524 | Q | 89.4 | Confident | 74 | Confident | 119 Ų | 119 | 107.5 Ų | 107.5 | 56% | 0.556 | 56% | 0.563 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -135 | 135.8 | -179.3 | -65.4 | -176.3 | 4.4 | 0 | 0 | 111 | T522 V526 V547 T548 | T522-Q524 PolarHBondContact O-N 3.32Å; Q524-V526 PolarHBondContact O-N 2.77Å; Q524-V547 CarbonylContact O-C 3.51Å; Q524-V547 WeakPolarHBondContact O-CA 3.38Å; Q524-T548 PolarHBondContact N-O 3.03Å; Q524-T548 PolarHBondContact O-N 2.79Å; Q524-T548 PolarHBondContact O-OG1 2.81Å |
| 525 | F | 91.1 | Very high | 76.3 | Confident | 28 Ų | 28 | 100.2 Ų | 100.2 | 12% | 0.123 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 118.4 | 172.7 | -71.2 | -79.7 | 0 | 0 | 0 | 110.5 | K528 C545 Q546 C598 V600 A607 | F525-K528 HydrophobicContact CB-CG 3.84Å; F525-K528 HydrophobicContact CG-CG 4.46Å; F525-C545 HydrophobicContact CD1-CB 3.92Å; F525-C545 HydrophobicContact CE1-CB 3.94Å; F525-C545 VanDerWaalsContact CE1-SG 3.55Å; F525-Q546 CarbonylContact C-O 3.55Å; F525-Q546 VanDerWaalsContact CA-O 3.27Å; F525-Q546 WeakPolarHBondContact CA-O 3.34Å; F525-C598 HydrophobicContact CZ-CB 4.39Å; F525-V600 HydrophobicContact CE1-CG1 4.22Å; F525-V600 HydrophobicContact CE1-CG2 4.14Å; F525-V600 HydrophobicContact CE2-CG2 3.69Å; F525-V600 HydrophobicContact CZ-CB 4.45Å; F525-V600 HydrophobicContact CZ-CG1 3.88Å; F525-V600 HydrophobicContact CZ-CG2 3.46Å; F525-A607 HydrophobicContact CD2-CB 4.03Å; F525-A607 HydrophobicContact CE2-CB 3.99Å |
| 526 | V | 88.6 | Confident | 78.5 | Confident | 89 Ų | 89 | 95.3 Ų | 95.3 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | -44 | 168.2 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | Q524 Q546 T548 | Q524-V526 PolarHBondContact O-N 2.77Å; V526-Q546 HydrophobicContact CB-CB 4.36Å; V526-Q546 HydrophobicContact CB-CG 4.5Å; V526-Q546 PolarHBondContact N-O 3.15Å; V526-T548 HydrophobicContact CG2-CG2 3.31Å; V526-T548 VanDerWaalsContact CG2-CG2 3.44Å |
| 527 | E | 90.5 | Very high | 80.5 | Confident | 98 Ų | 98 | 88.8 Ų | 88.8 | 46% | 0.458 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.2 | 174.7 | -167.3 | 171.3 | -134.6 | 0 | 0 | 107.6 | Q544 C545 Q546 | E527-Q544 PolarHBondContact OE2-NE2 2.84Å; E527-C545 CarbonylContact O-C 3.56Å; E527-C545 WeakPolarHBondContact O-CA 3.33Å; E527-C545 VanDerWaalsContact O-CB 3.26Å; E527-C545 WeakPolarHBondContact O-CB 3.41Å; E527-Q546 HydrophobicContact CB-CB 3.82Å; E527-Q546 PolarHBondContact N-O 2.91Å; E527-Q546 PolarHBondContact O-N 2.87Å |
| 528 | K | 92.1 | Very high | 82.6 | Confident | 145 Ų | 145 | 81.3 Ų | 81.3 | 63% | 0.63 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -92.6 | 161.5 | 179.9 | -70.2 | -177.9 | -178.9 | -179.6 | 0 | 110 | F525 S609 | F525-K528 HydrophobicContact CB-CG 3.84Å; F525-K528 HydrophobicContact CG-CG 4.46Å; K528-S609 WeakPolarHBondContact CB-OG 3.28Å |
| 529 | L | 93 | Very high | 84.4 | Confident | 6 Ų | 6 | 78 Ų | 78 | 3% | 0.031 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -57 | 150.6 | 164.6 | -56.7 | 177.2 | 0 | 0 | 0 | 109.6 | L543 Q544 C545 W559 C598 S609 C611 | L529-L543 HydrophobicContact CD2-CB 4.17Å; L529-Q544 WeakPolarHBondContact CD2-O 3.47Å; L529-C545 HydrophobicContact CD2-CB 3.74Å; L529-C545 HydrophobicContact CG-CB 4.09Å; L529-W559 HydrophobicContact CD1-CH2 3.93Å; L529-W559 HydrophobicContact CD1-CZ3 3.75Å; L529-W559 HydrophobicContact CD2-CH2 3.77Å; L529-W559 HydrophobicContact CD2-CZ3 4.4Å; L529-W559 HydrophobicContact CG-CH2 4.47Å; L529-C598 HydrophobicContact CD1-CB 4.03Å; L529-S609 PolarHBondContact N-OG 2.89Å; L529-C611 HydrophobicContact CB-CB 3.97Å; L529-C611 HydrophobicContact CD1-CB 4.24Å |
| 530 | C | 91 | Very high | 86.1 | Confident | 58 Ų | 58 | 76 Ų | 76 | 39% | 0.392 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 143.3 | 170.5 | 55.2 | 0 | 0 | 0 | 0 | 110.8 | Q532 C611 | C530-Q532 VanDerWaalsContact C-N 3.29Å; C530-Q532 PolarHBondContact O-N 2.87Å; C530-C611 VanDerWaalsContact O-CA 3.25Å; C530-C611 WeakPolarHBondContact O-CA 3.37Å; C530-C611 WeakPolarHBondContact O-CB 3.32Å; C530-C611 PolarHBondContact O-SG 3.11Å; C530-C611 VanDerWaalsContact O-SG 3.34Å |
| 531 | D | 90.6 | Very high | 87.9 | Confident | 140.5 Ų | 140.5 | 72.8 Ų | 72.8 | 75% | 0.751 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -63.4 | -36 | -177.1 | -65.6 | -42.4 | 0 | 0 | 0 | 112.4 | H612 | D531-H612 PolarHBondContact O-N 2.85Š|
| 532 | Q | 91.4 | Very high | 88.9 | Confident | 145.5 Ų | 145.5 | 75.3 Ų | 75.3 | 68% | 0.68 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 144.8 | 178.3 | -57.8 | -165.4 | -55.8 | 0 | 0 | 111.5 | C530 H612 | C530-Q532 VanDerWaalsContact C-N 3.29Å; C530-Q532 PolarHBondContact O-N 2.87Å; Q532-H612 CarbonylContact C-O 3.54Å; Q532-H612 WeakPolarHBondContact CA-O 3.33Å; Q532-H612 HydrophobicContact CG-CB 4.37Å |
| 533 | M | 90.5 | Very high | 89.4 | Confident | 57.5 Ų | 57.5 | 72.3 Ų | 72.3 | 28% | 0.283 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 135 | 174.2 | -175.6 | 80.4 | 134 | 0 | 0 | 108.9 | V541 L543 H612 L613 T614 | M533-V541 HydrophobicContact CE-CG1 4.29Å; M533-V541 HydrophobicContact CE-CG2 4.3Å; M533-V541 HydrophobicContact CG-CG1 4.02Å; M533-V541 HydrophobicContact SD-CG1 4.46Å; M533-L543 HydrophobicContact CB-CD2 4.45Å; M533-L543 HydrophobicContact CE-CD2 4.01Å; M533-H612 PolarHBondContact N-O 3.23Å; M533-L613 HydrophobicContact CB-CD1 3.88Å; M533-L613 HydrophobicContact CG-CD1 3.75Å; M533-L613 CarbonylContact O-C 3.43Å; M533-L613 WeakPolarHBondContact O-CA 3.44Å; M533-T614 PolarHBondContact O-N 3.29Å |
| 534 | Q | 90.6 | Very high | 89.6 | Confident | 164.5 Ų | 164.5 | 75.8 Ų | 75.8 | 77% | 0.769 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.7 | 170.5 | -72.6 | -173.5 | -17.2 | 0 | 0 | 109.7 | T614 | Q534-T614 WeakPolarHBondContact CA-O 3.35Å |
| 535 | A | 87.5 | Confident | 89.8 | Confident | 5 Ų | 5 | 70.2 Ų | 70.2 | 4% | 0.041 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 148.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q539 V541 V588 L613 T614 C615 G616 | A535-Q539 HydrophobicContact CB-CB 4.41Å; A535-V541 HydrophobicContact CB-CG2 3.41Å; A535-V541 VanDerWaalsContact CB-CG2 3.41Å; A535-V588 HydrophobicContact CB-CB 4.39Å; A535-V588 HydrophobicContact CB-CG1 4.48Å; A535-V588 HydrophobicContact CB-CG2 4.3Å; A535-L613 HydrophobicContact CB-CD1 4.34Å; A535-T614 PolarHBondContact N-O 2.95Å; A535-C615 CarbonylContact O-C 3.53Å; A535-C615 VanDerWaalsContact O-CA 3.28Å; A535-C615 WeakPolarHBondContact O-CA 3.41Å; A535-G616 PolarHBondContact O-N 3.12Å |
| 536 | D | 85.4 | Confident | 89.9 | Confident | 86.5 Ų | 86.5 | 69.7 Ų | 69.7 | 46% | 0.463 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 152.4 | 170.7 | -69.9 | -47.2 | 0 | 0 | 0 | 111 | G538 Q539 | D536-G538 PolarHBondContact O-N 3.45Å; D536-G538 VanDerWaalsContact O-N 3.13Å; D536-Q539 HydrophobicContact CB-CG 4.16Å; D536-Q539 VanDerWaalsContact O-CB 3.32Å; D536-Q539 WeakPolarHBondContact O-CB 3.45Å; D536-Q539 PolarHBondContact O-N 2.95Å |
| 537 | E | 84.1 | Confident | 90 | Very high | 49 Ų | 49 | 65.5 Ų | 65.5 | 23% | 0.229 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 121 | 176.3 | -176.3 | 174.2 | -170.7 | 0 | 0 | 112 | V588 Y589 C615 G616 K618 | E537-V588 CarbonylContact C-O 3.55Å; E537-V588 WeakPolarHBondContact CA-O 3.3Å; E537-Y589 HydrophobicContact CG-CD1 4.33Å; E537-C615 VanDerWaalsContact CA-SG 3.58Å; E537-G616 WeakPolarHBondContact CB-O 3.27Å; E537-G616 PolarHBondContact N-O 2.92Å; E537-K618 HydrophobicContact CB-CD 4.5Å; E537-K618 PolarHBondContact O-NZ 2.9Å; E537-K618 WeakPolarHBondContact OE2-CB 3.2Å; E537-K618 PolarHBondContact OE2-N 3.27Å |
| 538 | G | 80.1 | Confident | 89.9 | Confident | 40 Ų | 40 | 63.2 Ų | 63.2 | 41% | 0.412 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.4 | -12.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | D536 V588 | D536-G538 PolarHBondContact O-N 3.45Å; D536-G538 VanDerWaalsContact O-N 3.13Å; G538-V588 PolarHBondContact N-O 3.08Å |
| 539 | Q | 84.7 | Confident | 89.6 | Confident | 93 Ų | 93 | 58.5 Ų | 58.5 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | trans | -71.5 | 151.1 | 177 | -73.1 | -176 | -23.5 | 0 | 0 | 112.3 | A535 D536 Y587 V588 | A535-Q539 HydrophobicContact CB-CB 4.41Å; D536-Q539 HydrophobicContact CB-CG 4.16Å; D536-Q539 VanDerWaalsContact O-CB 3.32Å; D536-Q539 WeakPolarHBondContact O-CB 3.45Å; D536-Q539 PolarHBondContact O-N 2.95Å; Q539-Y587 CarbonylContact O-C 3.53Å; Q539-Y587 WeakPolarHBondContact O-CA 3.45Å; Q539-V588 WeakPolarHBondContact O-CG2 3.46Å; Q539-V588 PolarHBondContact O-N 2.82Å | ||
| 540 | S | 88.6 | Confident | 89.1 | Confident | 74.5 Ų | 74.5 | 62.3 Ų | 62.3 | 52% | 0.521 | 33% | 0.331 | S | S | . | . | trans | -84.6 | 138 | 171.1 | 5.4 | 0 | 0 | 0 | 0 | 110.7 | Q212 I585 L586 | Q212-S540 PolarHBondContact NE2-OG 2.91Å; S540-I585 CarbonylContact C-O 3.56Å; S540-I585 VanDerWaalsContact CA-O 3.28Å; S540-I585 WeakPolarHBondContact CA-O 3.15Å; S540-L586 VanDerWaalsContact CA-O 3.24Å; S540-L586 WeakPolarHBondContact CA-O 3.24Å; S540-L586 VanDerWaalsContact CB-O 3.28Å; S540-L586 WeakPolarHBondContact CB-O 3.23Å; S540-L586 PolarHBondContact OG-O 2.79Å | ||
| 541 | V | 92.1 | Very high | 88.2 | Confident | 9 Ų | 9 | 65.5 Ų | 65.5 | 6% | 0.055 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 136.3 | 179.5 | 167.6 | 0 | 0 | 0 | 0 | 110.6 | M533 A535 L543 N584 I585 V588 L613 | M533-V541 HydrophobicContact CE-CG1 4.29Å; M533-V541 HydrophobicContact CE-CG2 4.3Å; M533-V541 HydrophobicContact CG-CG1 4.02Å; M533-V541 HydrophobicContact SD-CG1 4.46Å; A535-V541 HydrophobicContact CB-CG2 3.41Å; A535-V541 VanDerWaalsContact CB-CG2 3.41Å; V541-L543 HydrophobicContact CG1-CD2 4.09Å; V541-L543 HydrophobicContact CG1-CG 4.22Å; V541-N584 CarbonylContact O-C 3.52Å; V541-N584 WeakPolarHBondContact O-CA 3.3Å; V541-I585 HydrophobicContact CB-CB 4.38Å; V541-I585 HydrophobicContact CB-CD1 4.44Å; V541-I585 HydrophobicContact CG1-CD1 4.37Å; V541-I585 PolarHBondContact N-O 3.07Å; V541-I585 PolarHBondContact O-N 2.86Å; V541-V588 HydrophobicContact CB-CG2 3.86Å; V541-V588 HydrophobicContact CG2-CG2 3.54Å; V541-V588 VanDerWaalsContact CG2-CG2 3.45Å; V541-L613 HydrophobicContact CG1-CD1 4.21Å; V541-L613 HydrophobicContact CG2-CD1 4.17Å |
| 542 | Q | 93.8 | Very high | 87.7 | Confident | 105 Ų | 105 | 60 Ų | 60 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 120.6 | 175.2 | 177.5 | 170.7 | 40.7 | 0 | 0 | 110 | V582 L583 N584 | Q542-V582 HydrophobicContact CG-CG1 3.82Å; Q542-V582 VanDerWaalsContact NE2-CG1 3.35Å; Q542-L583 WeakPolarHBondContact CA-O 3.25Å; Q542-N584 VanDerWaalsContact CG-OD1 3.27Å; Q542-N584 WeakPolarHBondContact CG-OD1 3.44Å; Q542-N584 PolarHBondContact NE2-OD1 2.85Å |
| 543 | L | 93.5 | Very high | 86.9 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 113.2 | 174 | -61.2 | -177.3 | 0 | 0 | 0 | 108.9 | L529 M533 V541 W559 V582 L583 Y596 C611 | L529-L543 HydrophobicContact CD2-CB 4.17Å; M533-L543 HydrophobicContact CB-CD2 4.45Å; M533-L543 HydrophobicContact CE-CD2 4.01Å; V541-L543 HydrophobicContact CG1-CD2 4.09Å; V541-L543 HydrophobicContact CG1-CG 4.22Å; L543-W559 HydrophobicContact CB-CH2 3.93Å; L543-W559 HydrophobicContact CB-CZ3 4.36Å; L543-W559 HydrophobicContact CD1-CZ3 4.31Å; L543-V582 CarbonylContact O-C 3.52Å; L543-V582 VanDerWaalsContact O-CA 3.31Å; L543-V582 WeakPolarHBondContact O-CA 3.24Å; L543-L583 HydrophobicContact CB-CB 4.37Å; L543-L583 HydrophobicContact CD1-CD2 4.41Å; L543-L583 PolarHBondContact N-O 3.1Å; L543-L583 PolarHBondContact O-N 3.04Å; L543-Y596 HydrophobicContact CD1-CD1 4.29Å; L543-Y596 HydrophobicContact CD1-CD2 4.18Å; L543-Y596 HydrophobicContact CD1-CG 3.78Å; L543-C611 HydrophobicContact CD1-CB 4.38Å; L543-C611 HydrophobicContact CD2-CB 4.17Å; L543-C611 VanDerWaalsContact CD2-SG 3.58Å |
| 544 | Q | 93.6 | Very high | 86.4 | Confident | 77.5 Ų | 77.5 | 61.6 Ų | 61.6 | 36% | 0.362 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139.9 | -176.5 | 173.4 | 178.4 | -50.1 | 0 | 0 | 111.8 | E527 L529 Y580 I581 V582 | E527-Q544 PolarHBondContact OE2-NE2 2.84Å; L529-Q544 WeakPolarHBondContact CD2-O 3.47Å; Q544-Y580 HydrophobicContact CG-CD1 4.41Å; Q544-I581 WeakPolarHBondContact CA-O 3.25Å; Q544-V582 HydrophobicContact CB-CG2 4.2Å; Q544-V582 HydrophobicContact CG-CG2 4.22Å |
| 545 | C | 93.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 164.7 | 168.3 | 52.9 | 0 | 0 | 0 | 0 | 110.6 | F525 E527 L529 Y580 I581 | F525-C545 HydrophobicContact CD1-CB 3.92Å; F525-C545 HydrophobicContact CE1-CB 3.94Å; F525-C545 VanDerWaalsContact CE1-SG 3.55Å; E527-C545 CarbonylContact O-C 3.56Å; E527-C545 WeakPolarHBondContact O-CA 3.33Å; E527-C545 VanDerWaalsContact O-CB 3.26Å; E527-C545 WeakPolarHBondContact O-CB 3.41Å; L529-C545 HydrophobicContact CD2-CB 3.74Å; L529-C545 HydrophobicContact CG-CB 4.09Å; C545-Y580 WeakPolarHBondContact O-CA 3.2Å; C545-I581 PolarHBondContact N-O 2.9Å; C545-I581 PolarHBondContact O-N 2.91Å |
| 546 | Q | 91.9 | Very high | 86.1 | Confident | 19 Ų | 19 | 55.9 Ų | 55.9 | 9% | 0.089 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 134.8 | 178.5 | -167.9 | 178.1 | 61.4 | 0 | 0 | 111.2 | F525 V526 E527 K550 G579 Y580 | F525-Q546 CarbonylContact C-O 3.55Å; F525-Q546 VanDerWaalsContact CA-O 3.27Å; F525-Q546 WeakPolarHBondContact CA-O 3.34Å; V526-Q546 HydrophobicContact CB-CB 4.36Å; V526-Q546 HydrophobicContact CB-CG 4.5Å; V526-Q546 PolarHBondContact N-O 3.15Å; E527-Q546 HydrophobicContact CB-CB 3.82Å; E527-Q546 PolarHBondContact N-O 2.91Å; E527-Q546 PolarHBondContact O-N 2.87Å; Q546-K550 VanDerWaalsContact NE2-NZ 3.1Å; Q546-G579 CarbonylContact C-O 3.56Å; Q546-G579 VanDerWaalsContact CA-O 3.31Å; Q546-G579 WeakPolarHBondContact CA-O 3.3Å; Q546-G579 WeakPolarHBondContact CG-O 3.12Å; Q546-Y580 HydrophobicContact CB-CD1 4.23Å; Q546-Y580 HydrophobicContact CB-CE1 4.37Å; Q546-Y580 HydrophobicContact CG-CD1 4.26Å; Q546-Y580 HydrophobicContact CG-CE1 4.29Å; Q546-Y580 VanDerWaalsContact NE2-CE2 3.32Å; Q546-Y580 PolarHBondContact NE2-OH 3.05Å |
| 547 | V | 91.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 150.6 | -176.9 | 65.4 | 0 | 0 | 0 | 0 | 112.1 | P523 Q524 L555 G579 I581 V600 | P523-V547 HydrophobicContact CB-CG2 4.03Å; Q524-V547 CarbonylContact O-C 3.51Å; Q524-V547 WeakPolarHBondContact O-CA 3.38Å; V547-L555 HydrophobicContact CG1-CD2 3.64Å; V547-L555 HydrophobicContact CG2-CD1 4.26Å; V547-L555 HydrophobicContact CG2-CD2 4.21Å; V547-G579 WeakPolarHBondContact CG1-O 3.36Å; V547-G579 PolarHBondContact N-O 3.12Å; V547-I581 HydrophobicContact CB-CD1 4.28Å; V547-I581 HydrophobicContact CG1-CD1 3.8Å; V547-I581 HydrophobicContact CG1-CG1 4.3Å; V547-V600 HydrophobicContact CG2-CB 4.43Å; V547-V600 HydrophobicContact CG2-CG1 4.41Å; V547-V600 HydrophobicContact CG2-CG2 4.05Å |
| 548 | T | 87.9 | Confident | 86.7 | Confident | 49 Ų | 49 | 52.8 Ų | 52.8 | 30% | 0.301 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 145.9 | 167 | 49 | 0 | 0 | 0 | 0 | 110.4 | P523 Q524 V526 K550 | P523-T548 CarbonylContact C-O 3.54Å; P523-T548 VanDerWaalsContact CA-O 3.25Å; P523-T548 WeakPolarHBondContact CA-O 3.41Å; Q524-T548 PolarHBondContact N-O 3.03Å; Q524-T548 PolarHBondContact O-N 2.79Å; Q524-T548 PolarHBondContact O-OG1 2.81Å; V526-T548 HydrophobicContact CG2-CG2 3.31Å; V526-T548 VanDerWaalsContact CG2-CG2 3.44Å; T548-K550 HydrophobicContact CG2-CG 4.34Å |
| 549 | P | 85.6 | Confident | 87.3 | Confident | 47 Ų | 47 | 51 Ų | 51 | 31% | 0.305 | 28% | 0.282 | S | S | . | . | S | Bend | cis | -67.1 | 142.7 | -2.6 | -10.4 | 25.3 | 0 | 0 | 0 | 112 | A521 D551 D552 L555 | A521-P549 HydrophobicContact CB-CG 4.48Å; P549-D551 VanDerWaalsContact C-N 3.31Å; P549-D551 PolarHBondContact O-N 3.4Å; P549-D552 HydrophobicContact CB-CB 4.12Å; P549-D552 HydrophobicContact CG-CB 4.25Å; P549-L555 WeakPolarHBondContact O-CD2 3.29Å |
| 550 | K | 82.9 | Confident | 87.7 | Confident | 85 Ų | 85 | 49.8 Ų | 49.8 | 37% | 0.37 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -36.3 | -177.2 | -64.7 | -173.4 | 171.8 | -165.6 | 0 | 112 | Q546 T548 F578 | Q546-K550 VanDerWaalsContact NE2-NZ 3.1Å; T548-K550 HydrophobicContact CG2-CG 4.34Å; K550-F578 WeakPolarHBondContact CD-O 3.48Å |
| 551 | D | 71.4 | Confident | 87.9 | Confident | 126.5 Ų | 126.5 | 48.4 Ų | 48.4 | 68% | 0.676 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 24.1 | -170.6 | -47.6 | -59.6 | 0 | 0 | 0 | 112.9 | P549 P553 | P549-D551 VanDerWaalsContact C-N 3.31Å; P549-D551 PolarHBondContact O-N 3.4Å; D551-P553 VanDerWaalsContact O-CD 3.29Å; D551-P553 WeakPolarHBondContact O-CD 3.36Å |
| 552 | D | 79.8 | Confident | 87.8 | Confident | 23.5 Ų | 23.5 | 52.1 Ų | 52.1 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | trans | -77.4 | 112.6 | 177 | -179.6 | -0.5 | 0 | 0 | 0 | 111 | P549 N554 L555 K576 N602 | P549-D552 HydrophobicContact CB-CB 4.12Å; P549-D552 HydrophobicContact CG-CB 4.25Å; D552-N554 VanDerWaalsContact C-N 3.27Å; D552-N554 PolarHBondContact O-N 2.94Å; D552-N554 WeakPolarHBondContact OD1-CA 3.37Å; D552-N554 WeakPolarHBondContact OD1-CB 3.23Å; D552-N554 PolarHBondContact OD1-N 3.01Å; D552-L555 HydrophobicContact CB-CB 3.96Å; D552-L555 VanDerWaalsContact O-CB 3.27Å; D552-L555 WeakPolarHBondContact O-CB 3.4Å; D552-L555 PolarHBondContact O-N 2.88Å; D552-K576 PolarHBondContact O-NZ 2.69Å; D552-N602 WeakPolarHBondContact OD2-CB 3.36Å; D552-N602 PolarHBondContact OD2-ND2 3.1Å | ||
| 553 | P | 75.7 | Confident | 87.4 | Confident | 119.5 Ų | 119.5 | 49.3 Ų | 49.3 | 78% | 0.776 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -19.6 | 179.9 | 30.2 | -35.4 | 0 | 0 | 0 | 113 | D551 L555 | D551-P553 VanDerWaalsContact O-CD 3.29Å; D551-P553 WeakPolarHBondContact O-CD 3.36Å; P553-L555 VanDerWaalsContact C-N 3.32Å |
| 554 | N | 80.1 | Confident | 86.9 | Confident | 117.5 Ų | 117.5 | 55.8 Ų | 55.8 | 63% | 0.628 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -1.6 | 178.1 | -62.1 | -52.2 | 0 | 0 | 0 | 112.9 | D552 S556 | D552-N554 VanDerWaalsContact C-N 3.27Å; D552-N554 PolarHBondContact O-N 2.94Å; D552-N554 WeakPolarHBondContact OD1-CA 3.37Å; D552-N554 WeakPolarHBondContact OD1-CB 3.23Å; D552-N554 PolarHBondContact OD1-N 3.01Å; N554-S556 PolarHBondContact O-N 3.01Å; N554-S556 VanDerWaalsContact O-N 3.15Å |
| 555 | L | 85.1 | Confident | 86.6 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | trans | -76.3 | 107.7 | -179 | -174 | 81.5 | 0 | 0 | 0 | 111.3 | P523 V547 P549 D552 P553 K576 V600 R601 N602 | P523-L555 HydrophobicContact CB-CD1 3.51Å; P523-L555 HydrophobicContact CG-CD1 4.18Å; V547-L555 HydrophobicContact CG1-CD2 3.64Å; V547-L555 HydrophobicContact CG2-CD1 4.26Å; V547-L555 HydrophobicContact CG2-CD2 4.21Å; P549-L555 WeakPolarHBondContact O-CD2 3.29Å; D552-L555 HydrophobicContact CB-CB 3.96Å; D552-L555 VanDerWaalsContact O-CB 3.27Å; D552-L555 WeakPolarHBondContact O-CB 3.4Å; D552-L555 PolarHBondContact O-N 2.88Å; P553-L555 VanDerWaalsContact C-N 3.32Å; L555-K576 HydrophobicContact CD2-CD 4.37Å; L555-K576 PolarHBondContact O-NZ 3.09Å; L555-V600 HydrophobicContact CD1-CB 4.13Å; L555-V600 HydrophobicContact CD1-CG1 3.6Å; L555-V600 HydrophobicContact CD2-CG1 4.39Å; L555-V600 HydrophobicContact CG-CG1 3.9Å; L555-R601 CarbonylContact C-O 3.54Å; L555-R601 WeakPolarHBondContact CA-O 3.13Å; L555-N602 HydrophobicContact CD1-CB 4.36Å | ||
| 556 | S | 86.3 | Confident | 86.4 | Confident | 42 Ų | 42 | 56.8 Ų | 56.8 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 140.7 | 174.5 | 55.7 | 0 | 0 | 0 | 0 | 111.8 | N554 V600 R601 | N554-S556 PolarHBondContact O-N 3.01Å; N554-S556 VanDerWaalsContact O-N 3.15Å; S556-V600 CarbonylContact O-C 3.53Å; S556-V600 WeakPolarHBondContact O-CA 3.24Å; S556-R601 PolarHBondContact N-O 3.23Å; S556-R601 PolarHBondContact O-N 2.72Å; S556-R601 WeakPolarHBondContact OG-CD 3.41Å; S556-R601 WeakPolarHBondContact OG-CG 3.35Å; S556-R601 PolarHBondContact OG-NE 3.28Å; S556-R601 PolarHBondContact OG-O 2.91Å |
| 557 | V | 91.3 | Very high | 85.9 | Confident | 31 Ų | 31 | 64.6 Ų | 64.6 | 19% | 0.188 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 141.3 | -177.6 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | K576 I581 L599 V600 | V557-K576 HydrophobicContact CG2-CB 4.27Å; V557-K576 HydrophobicContact CG2-CD 3.94Å; V557-K576 HydrophobicContact CG2-CG 3.93Å; V557-I581 HydrophobicContact CG1-CD1 4.15Å; V557-I581 HydrophobicContact CG1-CG1 4.45Å; V557-I581 HydrophobicContact CG1-CG2 3.65Å; V557-I581 HydrophobicContact CG2-CD1 3.69Å; V557-I581 HydrophobicContact CG2-CG1 4.05Å; V557-I581 HydrophobicContact CG2-CG2 4.49Å; V557-L599 CarbonylContact C-O 3.58Å; V557-L599 WeakPolarHBondContact CA-O 3.37Å; V557-V600 HydrophobicContact CG2-CG1 4.06Å |
| 558 | T | 90.9 | Very high | 85.6 | Confident | 39 Ų | 39 | 68.8 Ų | 68.8 | 24% | 0.239 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 127.6 | 173.8 | -53.6 | 0 | 0 | 0 | 0 | 109.6 | Y560 L599 | T558-Y560 HydrophobicContact CG2-CD2 4.28Å; T558-Y560 HydrophobicContact CG2-CE2 3.62Å; T558-L599 PolarHBondContact N-O 2.85Å; T558-L599 WeakPolarHBondContact O-CB 3.5Å; T558-L599 PolarHBondContact O-N 3Å |
| 559 | W | 93.5 | Very high | 85 | Confident | 3 Ų | 3 | 69.2 Ų | 69.2 | 1% | 0.011 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 139.7 | 176 | -73.8 | 92.2 | 0 | 0 | 0 | 110.8 | L529 L543 L566 F568 I581 L583 I597 C598 | L529-W559 HydrophobicContact CD1-CH2 3.93Å; L529-W559 HydrophobicContact CD1-CZ3 3.75Å; L529-W559 HydrophobicContact CD2-CH2 3.77Å; L529-W559 HydrophobicContact CD2-CZ3 4.4Å; L529-W559 HydrophobicContact CG-CH2 4.47Å; L543-W559 HydrophobicContact CB-CH2 3.93Å; L543-W559 HydrophobicContact CB-CZ3 4.36Å; L543-W559 HydrophobicContact CD1-CZ3 4.31Å; W559-L566 HydrophobicContact CB-CB 4.08Å; W559-L566 HydrophobicContact CB-CD2 4.17Å; W559-L566 PolarHBondContact O-N 3.15Å; W559-F568 HydrophobicContact CB-CE1 4.24Å; W559-F568 HydrophobicContact CB-CZ 3.99Å; W559-F568 AromaticContact CD1-CZ 3.88Å; W559-F568 HydrophobicContact CG-CE1 4.4Å; W559-F568 HydrophobicContact CG-CZ 4.28Å; W559-I581 HydrophobicContact CZ2-CG2 3.96Å; W559-L583 HydrophobicContact CD2-CB 4.03Å; W559-L583 HydrophobicContact CD2-CD2 3.82Å; W559-L583 HydrophobicContact CD2-CG 4.4Å; W559-L583 HydrophobicContact CE3-CB 4.25Å; W559-L583 HydrophobicContact CE3-CD2 3.57Å; W559-L583 HydrophobicContact CE3-CG 4.45Å; W559-L583 HydrophobicContact CG-CD2 4.36Å; W559-L583 HydrophobicContact CH2-CB 3.62Å; W559-L583 HydrophobicContact CH2-CD2 4.27Å; W559-L583 HydrophobicContact CZ2-CB 3.39Å; W559-L583 VanDerWaalsContact CZ2-CB 3.41Å; W559-L583 HydrophobicContact CZ2-CD2 4.49Å; W559-L583 HydrophobicContact CZ3-CB 4.05Å; W559-L583 HydrophobicContact CZ3-CD2 3.81Å; W559-I597 CarbonylContact C-O 3.53Å; W559-I597 VanDerWaalsContact CA-O 3.28Å; W559-I597 WeakPolarHBondContact CA-O 3.28Å; W559-C598 HydrophobicContact CD2-CB 4.13Å; W559-C598 HydrophobicContact CE3-CB 3.98Å; W559-C598 HydrophobicContact CH2-CB 3.93Å; W559-C598 HydrophobicContact CZ2-CB 4.02Å; W559-C598 HydrophobicContact CZ3-CB 3.88Å |
| 560 | Y | 93 | Very high | 84.3 | Confident | 68 Ų | 68 | 72.9 Ų | 72.9 | 27% | 0.267 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 146.2 | 171.6 | -63.7 | -104.1 | 0 | 0 | 0 | 109.7 | T558 Q564 P565 Y596 I597 L599 | T558-Y560 HydrophobicContact CG2-CD2 4.28Å; T558-Y560 HydrophobicContact CG2-CE2 3.62Å; Y560-Q564 CarbonylContact C-O 3.52Å; Y560-Q564 WeakPolarHBondContact CA-O 3.29Å; Y560-Q564 WeakPolarHBondContact CB-O 3.31Å; Y560-P565 HydrophobicContact CD1-CG 4.23Å; Y560-P565 HydrophobicContact CE1-CG 3.9Å; Y560-Y596 CarbonylContact O-C 3.56Å; Y560-Y596 VanDerWaalsContact O-CA 3.29Å; Y560-Y596 WeakPolarHBondContact O-CA 3.26Å; Y560-I597 PolarHBondContact N-O 2.92Å; Y560-I597 PolarHBondContact O-N 3.08Å; Y560-L599 HydrophobicContact CD2-CB 4.4Å; Y560-L599 HydrophobicContact CE2-CB 4.15Å; Y560-L599 HydrophobicContact CE2-CD2 4Å |
| 561 | F | 92.6 | Very high | 84.6 | Confident | 44 Ų | 44 | 70.4 Ų | 70.4 | 19% | 0.193 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 122.9 | 169.8 | 171.7 | -116.6 | 0 | 0 | 0 | 108.4 | G563 Q564 L566 E591 D592 D595 Y596 | F561-G563 PolarHBondContact O-N 3.22Å; F561-G563 VanDerWaalsContact O-N 3.12Å; F561-Q564 PolarHBondContact N-O 3.22Å; F561-Q564 PolarHBondContact O-N 3Å; F561-L566 HydrophobicContact CB-CB 4.41Å; F561-L566 HydrophobicContact CB-CD1 3.93Å; F561-L566 HydrophobicContact CG-CD1 4.49Å; F561-E591 WeakPolarHBondContact CZ-O 3.45Å; F561-D592 VanDerWaalsContact CE2-O 3.28Å; F561-D592 WeakPolarHBondContact CE2-O 3.44Å; F561-D595 CarbonylContact C-O 3.53Å; F561-D595 WeakPolarHBondContact CA-O 3.46Å; F561-Y596 HydrophobicContact CB-CD1 4.38Å; F561-Y596 HydrophobicContact CB-CE1 4.16Å; F561-Y596 HydrophobicContact CD2-CD1 4.18Å; F561-Y596 AromaticContact CD2-CD2 3.92Å; F561-Y596 HydrophobicContact CD2-CD2 3.99Å; F561-Y596 AromaticContact CD2-CE1 3.75Å; F561-Y596 HydrophobicContact CD2-CE1 3.75Å; F561-Y596 AromaticContact CD2-CE2 3.52Å; F561-Y596 HydrophobicContact CD2-CE2 3.52Å; F561-Y596 VanDerWaalsContact CD2-CE2 3.49Å; F561-Y596 HydrophobicContact CD2-CG 4.3Å; F561-Y596 AromaticContact CD2-CZ 3.38Å; F561-Y596 HydrophobicContact CE2-CD2 4.38Å; F561-Y596 HydrophobicContact CE2-CE1 4.47Å; F561-Y596 AromaticContact CE2-CE2 3.63Å; F561-Y596 HydrophobicContact CE2-CE2 3.63Å; F561-Y596 AromaticContact CE2-CZ 3.7Å; F561-Y596 HydrophobicContact CG-CE1 4.21Å |
| 562 | N | 89.2 | Confident | 85.5 | Confident | 87.5 Ų | 87.5 | 65.2 Ų | 65.2 | 47% | 0.468 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 39.1 | -175.8 | -68.5 | -31.7 | 0 | 0 | 0 | 113.1 | Q564 S593 G594 D595 | N562-Q564 VanDerWaalsContact C-N 3.3Å; N562-Q564 PolarHBondContact O-N 3.32Å; N562-S593 PolarHBondContact ND2-O 3.26Å; N562-G594 VanDerWaalsContact OD1-CA 3.27Å; N562-G594 WeakPolarHBondContact OD1-CA 3.3Å; N562-D595 PolarHBondContact N-O 3.31Å; N562-D595 PolarHBondContact OD1-N 2.86Å |
| 563 | G | 84.8 | Confident | 85.9 | Confident | 46.5 Ų | 46.5 | 68.6 Ų | 68.6 | 48% | 0.479 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -4.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116 | F561 | F561-G563 PolarHBondContact O-N 3.22Å; F561-G563 VanDerWaalsContact O-N 3.12Å |
| 564 | Q | 83.5 | Confident | 86.6 | Confident | 139 Ų | 139 | 66.5 Ų | 66.5 | 65% | 0.65 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 145.2 | 174.4 | -65.2 | -61.7 | -30.1 | 0 | 0 | 111.1 | Y560 F561 N562 L566 | Y560-Q564 CarbonylContact C-O 3.52Å; Y560-Q564 WeakPolarHBondContact CA-O 3.29Å; Y560-Q564 WeakPolarHBondContact CB-O 3.31Å; F561-Q564 PolarHBondContact N-O 3.22Å; F561-Q564 PolarHBondContact O-N 3Å; N562-Q564 VanDerWaalsContact C-N 3.3Å; N562-Q564 PolarHBondContact O-N 3.32Å; Q564-L566 PolarHBondContact O-N 3.09Å |
| 565 | P | 86.8 | Confident | 87 | Confident | 78 Ų | 78 | 62.4 Ų | 62.4 | 51% | 0.506 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 125.6 | 175.4 | -23.4 | 33.1 | 0 | 0 | 0 | 111.3 | Y560 K567 | Y560-P565 HydrophobicContact CD1-CG 4.23Å; Y560-P565 HydrophobicContact CE1-CG 3.9Å; P565-K567 PolarHBondContact O-N 3.13Å |
| 566 | L | 89.9 | Confident | 87.1 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 10% | 0.099 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -69 | 124 | -179 | -179.4 | 64.6 | 0 | 0 | 0 | 109.7 | W559 F561 Q564 F568 F572 L583 Y596 | W559-L566 HydrophobicContact CB-CB 4.08Å; W559-L566 HydrophobicContact CB-CD2 4.17Å; W559-L566 PolarHBondContact O-N 3.15Å; F561-L566 HydrophobicContact CB-CB 4.41Å; F561-L566 HydrophobicContact CB-CD1 3.93Å; F561-L566 HydrophobicContact CG-CD1 4.49Å; Q564-L566 PolarHBondContact O-N 3.09Å; L566-F568 HydrophobicContact CD2-CE1 4.16Å; L566-F568 HydrophobicContact CG-CE1 4.38Å; L566-F568 PolarHBondContact O-N 3.04Å; L566-F572 HydrophobicContact CD1-CD1 4.11Å; L566-F572 HydrophobicContact CD1-CD2 4.41Å; L566-F572 HydrophobicContact CD1-CE1 4.16Å; L566-F572 HydrophobicContact CD1-CE2 4.42Å; L566-F572 HydrophobicContact CD1-CG 4.27Å; L566-F572 HydrophobicContact CD1-CZ 4.35Å; L566-F572 HydrophobicContact CD2-CB 4.45Å; L566-F572 HydrophobicContact CD2-CD1 4.14Å; L566-F572 HydrophobicContact CD2-CG 4.44Å; L566-F572 HydrophobicContact CG-CD1 4.47Å; L566-L583 HydrophobicContact CD2-CD1 3.84Å; L566-L583 HydrophobicContact CD2-CD2 3.5Å; L566-L583 VanDerWaalsContact CD2-CD2 3.45Å; L566-L583 HydrophobicContact CD2-CG 4.34Å; L566-Y596 HydrophobicContact CD1-CE1 4.32Å; L566-Y596 HydrophobicContact CD2-CD1 4.29Å; L566-Y596 HydrophobicContact CD2-CE1 4.11Å |
| 567 | K | 81.2 | Confident | 86.9 | Confident | 184.5 Ų | 184.5 | 66.8 Ų | 66.8 | 80% | 0.802 | 34% | 0.338 | S | S | * | . | trans | -79.8 | 112 | 174.1 | -69.6 | -179.2 | -179.7 | 176.4 | 0 | 109.5 | P565 | P565-K567 PolarHBondContact O-N 3.13Š| ||
| 568 | F | 86.3 | Confident | 86.4 | Confident | 87 Ų | 87 | 71.4 Ų | 71.4 | 38% | 0.382 | 36% | 0.355 | S | S | . | . | trans | -70.4 | 144.6 | 174.8 | -55.7 | -63.8 | 0 | 0 | 0 | 111.6 | W559 L566 F572 H574 L583 | W559-F568 HydrophobicContact CB-CE1 4.24Å; W559-F568 HydrophobicContact CB-CZ 3.99Å; W559-F568 AromaticContact CD1-CZ 3.88Å; W559-F568 HydrophobicContact CG-CE1 4.4Å; W559-F568 HydrophobicContact CG-CZ 4.28Å; L566-F568 HydrophobicContact CD2-CE1 4.16Å; L566-F568 HydrophobicContact CG-CE1 4.38Å; L566-F568 PolarHBondContact O-N 3.04Å; F568-F572 WeakPolarHBondContact CA-O 3.49Å; F568-F572 WeakPolarHBondContact CB-O 3.36Å; F568-F572 HydrophobicContact CD1-CB 4.46Å; F568-H574 HydrophobicContact CD1-CB 4.25Å; F568-H574 AromaticContact CD1-CD2 3.63Å; F568-H574 AromaticContact CD2-CD2 3.7Å; F568-H574 AromaticContact CD2-NE2 3.81Å; F568-H574 HydrophobicContact CE1-CB 3.74Å; F568-H574 AromaticContact CE1-CD2 3.6Å; F568-H574 AromaticContact CE1-CG 3.71Å; F568-H574 AromaticContact CE2-CD2 3.66Å; F568-H574 VanDerWaalsContact CE2-CD2 3.47Å; F568-H574 WeakPolarHBondContact CE2-CD2 3.46Å; F568-H574 AromaticContact CE2-NE2 3.7Å; F568-H574 AromaticContact CG-CD2 3.68Å; F568-H574 HydrophobicContact CZ-CB 4.19Å; F568-H574 AromaticContact CZ-CD2 3.62Å; F568-H574 VanDerWaalsContact CZ-CD2 3.47Å; F568-H574 WeakPolarHBondContact CZ-CD2 3.38Å; F568-H574 AromaticContact CZ-CG 3.74Å; F568-H574 AromaticContact CZ-NE2 3.96Å; F568-L583 HydrophobicContact CE1-CD1 4.21Å | ||
| 569 | S | 75.7 | Confident | 86 | Confident | 57.5 Ų | 57.5 | 69.5 Ų | 69.5 | 40% | 0.402 | 34% | 0.344 | S | S | . | . | trans | -152.9 | -170.5 | 179.6 | 74.2 | 0 | 0 | 0 | 0 | 109.4 | R571 F572 | S569-R571 PolarHBondContact O-N 2.97Å; S569-R571 PolarHBondContact OG-N 2.99Å; S569-R571 VanDerWaalsContact OG-N 3.14Å; S569-F572 PolarHBondContact N-O 2.92Å; S569-F572 VanDerWaalsContact N-O 3.14Å; S569-F572 CarbonylContact O-C 3.52Å; S569-F572 PolarHBondContact O-N 3.33Å; S569-F572 PolarHBondContact OG-N 3.31Å | ||
| 570 | H | 69.9 | Low | 85.9 | Confident | 125 Ų | 125 | 74.1 Ų | 74.1 | 58% | 0.579 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -59.2 | -31.5 | 171.9 | 70.8 | -76.5 | 0 | 0 | 0 | 112.1 | R573 L586 Y587 | H570-R573 PolarHBondContact O-NE 2.74Å; H570-L586 WeakPolarHBondContact O-CD1 3.39Å; H570-Y587 AromaticContact NE2-CZ 3.99Å; H570-Y587 PolarHBondContact NE2-OH 2.76Å |
| 571 | R | 88.8 | Confident | 85.9 | Confident | 32.5 Ų | 32.5 | 70.9 Ų | 70.9 | 12% | 0.123 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -80.1 | -35.8 | -179 | -169.8 | 164.9 | 75.8 | 81.3 | -8.5 | 113.2 | S569 I585 L586 Y587 D592 | S569-R571 PolarHBondContact O-N 2.97Å; S569-R571 PolarHBondContact OG-N 2.99Å; S569-R571 VanDerWaalsContact OG-N 3.14Å; R571-I585 CarbonylContact O-C 3.53Å; R571-I585 WeakPolarHBondContact O-CA 3.06Å; R571-L586 PolarHBondContact O-N 2.84Å; R571-Y587 HydrophobicContact CB-CE1 4.48Å; R571-Y587 HydrophobicContact CG-CD1 4.32Å; R571-Y587 HydrophobicContact CG-CD2 4.33Å; R571-Y587 HydrophobicContact CG-CE1 4.07Å; R571-Y587 HydrophobicContact CG-CE2 4.12Å; R571-Y587 HydrophobicContact CG-CG 4.44Å; R571-Y587 PolarHBondContact NH1-O 3.35Å; R571-D592 IonicContact CZ-OD1 3.58Å; R571-D592 IonicContact CZ-OD2 3.31Å; R571-D592 VanDerWaalsContact NH1-CG 3.3Å; R571-D592 IonicContact NH1-OD1 3.1Å; R571-D592 PolarHBondContact NH1-OD1 2.9Å; R571-D592 IonicContact NH1-OD2 3.12Å; R571-D592 PolarHBondContact NH1-OD2 2.98Å; R571-D592 IonicContact NH2-OD1 3.32Å; R571-D592 PolarHBondContact NH2-OD1 2.76Å; R571-D592 IonicContact NH2-OD2 3.77Å; R571-D592 PolarHBondContact NH2-OD2 2.92Å |
| 572 | F | 91.2 | Very high | 86 | Confident | 18 Ų | 18 | 69.4 Ų | 69.4 | 8% | 0.079 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 99.9 | 177.2 | -65.6 | -77.1 | 0 | 0 | 0 | 110.9 | L566 F568 S569 I585 D592 Y596 | L566-F572 HydrophobicContact CD1-CD1 4.11Å; L566-F572 HydrophobicContact CD1-CD2 4.41Å; L566-F572 HydrophobicContact CD1-CE1 4.16Å; L566-F572 HydrophobicContact CD1-CE2 4.42Å; L566-F572 HydrophobicContact CD1-CG 4.27Å; L566-F572 HydrophobicContact CD1-CZ 4.35Å; L566-F572 HydrophobicContact CD2-CB 4.45Å; L566-F572 HydrophobicContact CD2-CD1 4.14Å; L566-F572 HydrophobicContact CD2-CG 4.44Å; L566-F572 HydrophobicContact CG-CD1 4.47Å; F568-F572 WeakPolarHBondContact CA-O 3.49Å; F568-F572 WeakPolarHBondContact CB-O 3.36Å; F568-F572 HydrophobicContact CD1-CB 4.46Å; S569-F572 PolarHBondContact N-O 2.92Å; S569-F572 VanDerWaalsContact N-O 3.14Å; S569-F572 CarbonylContact O-C 3.52Å; S569-F572 PolarHBondContact O-N 3.33Å; S569-F572 PolarHBondContact OG-N 3.31Å; F572-I585 HydrophobicContact CD1-CB 4.39Å; F572-I585 HydrophobicContact CD1-CD1 4.48Å; F572-I585 HydrophobicContact CD1-CG1 3.92Å; F572-I585 HydrophobicContact CD1-CG2 4.11Å; F572-I585 HydrophobicContact CE1-CB 4.32Å; F572-I585 HydrophobicContact CE1-CD1 4.12Å; F572-I585 HydrophobicContact CE1-CG1 3.95Å; F572-I585 HydrophobicContact CE1-CG2 3.77Å; F572-I585 HydrophobicContact CZ-CG2 4.37Å; F572-D592 WeakPolarHBondContact CZ-OD1 3.39Å; F572-Y596 HydrophobicContact CE1-CE1 4.27Å |
| 573 | R | 87.3 | Confident | 86.3 | Confident | 94.5 Ų | 94.5 | 65.2 Ų | 65.2 | 36% | 0.357 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.7 | -178.8 | -60 | -175.1 | -176.8 | 174.8 | -1.9 | 111 | F39 H570 L583 N584 | F39-R573 VanDerWaalsContact CB-NH1 3.35Å; H570-R573 PolarHBondContact O-NE 2.74Å; R573-L583 CarbonylContact O-C 3.49Å; R573-L583 WeakPolarHBondContact O-CA 3.38Å; R573-N584 HydrophobicContact CB-CB 4.41Å; R573-N584 PolarHBondContact N-O 3.13Å; R573-N584 PolarHBondContact O-N 3.31Å |
| 574 | H | 91.6 | Very high | 86.6 | Confident | 75 Ų | 75 | 64.8 Ų | 64.8 | 35% | 0.347 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 150.4 | 177 | 78.3 | 109.1 | 0 | 0 | 0 | 112 | M35 F568 V582 L583 | M35-H574 WeakPolarHBondContact CE-O 3.08Å; F568-H574 HydrophobicContact CD1-CB 4.25Å; F568-H574 AromaticContact CD1-CD2 3.63Å; F568-H574 AromaticContact CD2-CD2 3.7Å; F568-H574 AromaticContact CD2-NE2 3.81Å; F568-H574 HydrophobicContact CE1-CB 3.74Å; F568-H574 AromaticContact CE1-CD2 3.6Å; F568-H574 AromaticContact CE1-CG 3.71Å; F568-H574 AromaticContact CE2-CD2 3.66Å; F568-H574 VanDerWaalsContact CE2-CD2 3.47Å; F568-H574 WeakPolarHBondContact CE2-CD2 3.46Å; F568-H574 AromaticContact CE2-NE2 3.7Å; F568-H574 AromaticContact CG-CD2 3.68Å; F568-H574 HydrophobicContact CZ-CB 4.19Å; F568-H574 AromaticContact CZ-CD2 3.62Å; F568-H574 VanDerWaalsContact CZ-CD2 3.47Å; F568-H574 WeakPolarHBondContact CZ-CD2 3.38Å; F568-H574 AromaticContact CZ-CG 3.74Å; F568-H574 AromaticContact CZ-NE2 3.96Å; H574-V582 CarbonylContact C-O 3.52Å; H574-V582 WeakPolarHBondContact CA-O 3.38Å; H574-V582 WeakPolarHBondContact CB-O 3.33Å; H574-L583 HydrophobicContact CB-CD1 4.45Å |
| 575 | S | 88.8 | Confident | 87.1 | Confident | 30.5 Ų | 30.5 | 58.2 Ų | 58.2 | 21% | 0.213 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 159.6 | 172.6 | 67.7 | 0 | 0 | 0 | 0 | 111.8 | S37 D577 I581 V582 | S37-S575 PolarHBondContact OG-OG 3.05Å; S575-D577 WeakPolarHBondContact CB-OD2 3.47Å; S575-D577 PolarHBondContact OG-OD2 2.82Å; S575-I581 WeakPolarHBondContact O-CA 3.22Å; S575-V582 PolarHBondContact N-O 3.31Å; S575-V582 PolarHBondContact O-N 3.1Å; S575-V582 VanDerWaalsContact O-N 3.14Å; S575-V582 WeakPolarHBondContact OG-CB 3.45Å |
| 576 | K | 86.4 | Confident | 87 | Confident | 65.5 Ų | 65.5 | 56.9 Ų | 56.9 | 29% | 0.285 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 97 | 179.1 | 177.3 | -139.5 | 166.9 | -178.9 | 0 | 109.7 | M35 D552 L555 V557 Y580 I581 | M35-K576 HydrophobicContact CE-CB 4.42Å; M35-K576 VanDerWaalsContact CE-N 3.3Å; D552-K576 PolarHBondContact O-NZ 2.69Å; L555-K576 HydrophobicContact CD2-CD 4.37Å; L555-K576 PolarHBondContact O-NZ 3.09Å; V557-K576 HydrophobicContact CG2-CB 4.27Å; V557-K576 HydrophobicContact CG2-CD 3.94Å; V557-K576 HydrophobicContact CG2-CG 3.93Å; K576-Y580 CarbonylContact C-O 3.49Å; K576-Y580 VanDerWaalsContact CA-O 3.28Å; K576-Y580 WeakPolarHBondContact CA-O 3.46Å; K576-I581 HydrophobicContact CB-CG1 4.33Å; K576-I581 HydrophobicContact CG-CG1 4.08Å |
| 577 | D | 81.4 | Confident | 86.9 | Confident | 78.5 Ų | 78.5 | 59.8 Ų | 59.8 | 42% | 0.42 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 132.7 | -173.4 | -59.8 | -71.1 | 0 | 0 | 0 | 111.2 | S575 G579 Y580 | S575-D577 WeakPolarHBondContact CB-OD2 3.47Å; S575-D577 PolarHBondContact OG-OD2 2.82Å; D577-G579 PolarHBondContact O-N 2.8Å; D577-G579 VanDerWaalsContact O-N 3.07Å; D577-Y580 PolarHBondContact N-O 2.86Å; D577-Y580 WeakPolarHBondContact O-CA 3.25Å; D577-Y580 WeakPolarHBondContact O-CB 3.4Å; D577-Y580 PolarHBondContact O-N 2.97Å |
| 578 | F | 81.7 | Confident | 87.3 | Confident | 126 Ų | 126 | 51 Ų | 51 | 55% | 0.553 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49 | 35.2 | -179.8 | -59.2 | -79.9 | 0 | 0 | 0 | 115 | M67 K550 Y580 | M67-F578 HydrophobicContact CE-CE1 4.37Å; M67-F578 HydrophobicContact CE-CZ 3.66Å; K550-F578 WeakPolarHBondContact CD-O 3.48Å; F578-Y580 VanDerWaalsContact C-N 3.28Å; F578-Y580 PolarHBondContact O-N 2.77Å |
| 579 | G | 83.2 | Confident | 87.3 | Confident | 0.5 Ų | 0.5 | 51 Ų | 51 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -5.2 | -176 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q546 V547 D577 | Q546-G579 CarbonylContact C-O 3.56Å; Q546-G579 VanDerWaalsContact CA-O 3.31Å; Q546-G579 WeakPolarHBondContact CA-O 3.3Å; Q546-G579 WeakPolarHBondContact CG-O 3.12Å; V547-G579 WeakPolarHBondContact CG1-O 3.36Å; V547-G579 PolarHBondContact N-O 3.12Å; D577-G579 PolarHBondContact O-N 2.8Å; D577-G579 VanDerWaalsContact O-N 3.07Å |
| 580 | Y | 91.4 | Very high | 87.8 | Confident | 99 Ų | 99 | 51 Ų | 51 | 39% | 0.388 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 138.1 | 167.2 | -65.9 | -82 | 0 | 0 | 0 | 110 | Q544 C545 Q546 K576 D577 F578 | Q544-Y580 HydrophobicContact CG-CD1 4.41Å; C545-Y580 WeakPolarHBondContact O-CA 3.2Å; Q546-Y580 HydrophobicContact CB-CD1 4.23Å; Q546-Y580 HydrophobicContact CB-CE1 4.37Å; Q546-Y580 HydrophobicContact CG-CD1 4.26Å; Q546-Y580 HydrophobicContact CG-CE1 4.29Å; Q546-Y580 VanDerWaalsContact NE2-CE2 3.32Å; Q546-Y580 PolarHBondContact NE2-OH 3.05Å; K576-Y580 CarbonylContact C-O 3.49Å; K576-Y580 VanDerWaalsContact CA-O 3.28Å; K576-Y580 WeakPolarHBondContact CA-O 3.46Å; D577-Y580 PolarHBondContact N-O 2.86Å; D577-Y580 WeakPolarHBondContact O-CA 3.25Å; D577-Y580 WeakPolarHBondContact O-CB 3.4Å; D577-Y580 PolarHBondContact O-N 2.97Å; F578-Y580 VanDerWaalsContact C-N 3.28Å; F578-Y580 PolarHBondContact O-N 2.77Å |
| 581 | I | 92.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 124.2 | 173 | -61.5 | 168.2 | 0 | 0 | 0 | 107.2 | Q544 C545 V547 V557 W559 S575 K576 V600 | Q544-I581 WeakPolarHBondContact CA-O 3.25Å; C545-I581 PolarHBondContact N-O 2.9Å; C545-I581 PolarHBondContact O-N 2.91Å; V547-I581 HydrophobicContact CB-CD1 4.28Å; V547-I581 HydrophobicContact CG1-CD1 3.8Å; V547-I581 HydrophobicContact CG1-CG1 4.3Å; V557-I581 HydrophobicContact CG1-CD1 4.15Å; V557-I581 HydrophobicContact CG1-CG1 4.45Å; V557-I581 HydrophobicContact CG1-CG2 3.65Å; V557-I581 HydrophobicContact CG2-CD1 3.69Å; V557-I581 HydrophobicContact CG2-CG1 4.05Å; V557-I581 HydrophobicContact CG2-CG2 4.49Å; W559-I581 HydrophobicContact CZ2-CG2 3.96Å; S575-I581 WeakPolarHBondContact O-CA 3.22Å; K576-I581 HydrophobicContact CB-CG1 4.33Å; K576-I581 HydrophobicContact CG-CG1 4.08Å; I581-V600 HydrophobicContact CD1-CG1 3.46Å; I581-V600 HydrophobicContact CD1-CG2 4.21Å |
| 582 | V | 94.2 | Very high | 88.7 | Confident | 13 Ų | 13 | 50.2 Ų | 50.2 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 139.8 | -173.2 | -178.2 | 0 | 0 | 0 | 0 | 110 | Q542 L543 Q544 H574 S575 N584 | Q542-V582 HydrophobicContact CG-CG1 3.82Å; Q542-V582 VanDerWaalsContact NE2-CG1 3.35Å; L543-V582 CarbonylContact O-C 3.52Å; L543-V582 VanDerWaalsContact O-CA 3.31Å; L543-V582 WeakPolarHBondContact O-CA 3.24Å; Q544-V582 HydrophobicContact CB-CG2 4.2Å; Q544-V582 HydrophobicContact CG-CG2 4.22Å; H574-V582 CarbonylContact C-O 3.52Å; H574-V582 WeakPolarHBondContact CA-O 3.38Å; H574-V582 WeakPolarHBondContact CB-O 3.33Å; S575-V582 PolarHBondContact N-O 3.31Å; S575-V582 PolarHBondContact O-N 3.1Å; S575-V582 VanDerWaalsContact O-N 3.14Å; S575-V582 WeakPolarHBondContact OG-CB 3.45Å; V582-N584 VanDerWaalsContact CG1-OD1 3.31Å; V582-N584 WeakPolarHBondContact CG1-OD1 3.35Å |
| 583 | L | 95 | Very high | 88.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 117.3 | 165.9 | 171.8 | 64.6 | 0 | 0 | 0 | 109.2 | Q542 L543 W559 L566 F568 R573 H574 Y596 | Q542-L583 WeakPolarHBondContact CA-O 3.25Å; L543-L583 HydrophobicContact CB-CB 4.37Å; L543-L583 HydrophobicContact CD1-CD2 4.41Å; L543-L583 PolarHBondContact N-O 3.1Å; L543-L583 PolarHBondContact O-N 3.04Å; W559-L583 HydrophobicContact CD2-CB 4.03Å; W559-L583 HydrophobicContact CD2-CD2 3.82Å; W559-L583 HydrophobicContact CD2-CG 4.4Å; W559-L583 HydrophobicContact CE3-CB 4.25Å; W559-L583 HydrophobicContact CE3-CD2 3.57Å; W559-L583 HydrophobicContact CE3-CG 4.45Å; W559-L583 HydrophobicContact CG-CD2 4.36Å; W559-L583 HydrophobicContact CH2-CB 3.62Å; W559-L583 HydrophobicContact CH2-CD2 4.27Å; W559-L583 HydrophobicContact CZ2-CB 3.39Å; W559-L583 VanDerWaalsContact CZ2-CB 3.41Å; W559-L583 HydrophobicContact CZ2-CD2 4.49Å; W559-L583 HydrophobicContact CZ3-CB 4.05Å; W559-L583 HydrophobicContact CZ3-CD2 3.81Å; L566-L583 HydrophobicContact CD2-CD1 3.84Å; L566-L583 HydrophobicContact CD2-CD2 3.5Å; L566-L583 VanDerWaalsContact CD2-CD2 3.45Å; L566-L583 HydrophobicContact CD2-CG 4.34Å; F568-L583 HydrophobicContact CE1-CD1 4.21Å; R573-L583 CarbonylContact O-C 3.49Å; R573-L583 WeakPolarHBondContact O-CA 3.38Å; H574-L583 HydrophobicContact CB-CD1 4.45Å; L583-Y596 HydrophobicContact CD2-CD1 3.69Å; L583-Y596 HydrophobicContact CD2-CE1 4.11Å |
| 584 | N | 92.2 | Very high | 89 | Confident | 37.5 Ų | 37.5 | 46.9 Ų | 46.9 | 20% | 0.201 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 121.3 | 175.8 | -67.3 | -20.8 | 0 | 0 | 0 | 109.5 | S37 V541 Q542 R573 V582 | S37-N584 PolarHBondContact O-ND2 3.45Å; S37-N584 PolarHBondContact OG-ND2 2.86Å; V541-N584 CarbonylContact O-C 3.52Å; V541-N584 WeakPolarHBondContact O-CA 3.3Å; Q542-N584 VanDerWaalsContact CG-OD1 3.27Å; Q542-N584 WeakPolarHBondContact CG-OD1 3.44Å; Q542-N584 PolarHBondContact NE2-OD1 2.85Å; R573-N584 HydrophobicContact CB-CB 4.41Å; R573-N584 PolarHBondContact N-O 3.13Å; R573-N584 PolarHBondContact O-N 3.31Å; V582-N584 VanDerWaalsContact CG1-OD1 3.31Å; V582-N584 WeakPolarHBondContact CG1-OD1 3.35Å |
| 585 | I | 93.2 | Very high | 89.1 | Confident | 0.5 Ų | 0.5 | 45.8 Ų | 45.8 | 0% | 0.003 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 107.6 | 169.5 | -45.9 | 175.2 | 0 | 0 | 0 | 106.4 | S540 V541 R571 F572 Y587 V588 Y596 L613 | S540-I585 CarbonylContact C-O 3.56Å; S540-I585 VanDerWaalsContact CA-O 3.28Å; S540-I585 WeakPolarHBondContact CA-O 3.15Å; V541-I585 HydrophobicContact CB-CB 4.38Å; V541-I585 HydrophobicContact CB-CD1 4.44Å; V541-I585 HydrophobicContact CG1-CD1 4.37Å; V541-I585 PolarHBondContact N-O 3.07Å; V541-I585 PolarHBondContact O-N 2.86Å; R571-I585 CarbonylContact O-C 3.53Å; R571-I585 WeakPolarHBondContact O-CA 3.06Å; F572-I585 HydrophobicContact CD1-CB 4.39Å; F572-I585 HydrophobicContact CD1-CD1 4.48Å; F572-I585 HydrophobicContact CD1-CG1 3.92Å; F572-I585 HydrophobicContact CD1-CG2 4.11Å; F572-I585 HydrophobicContact CE1-CB 4.32Å; F572-I585 HydrophobicContact CE1-CD1 4.12Å; F572-I585 HydrophobicContact CE1-CG1 3.95Å; F572-I585 HydrophobicContact CE1-CG2 3.77Å; F572-I585 HydrophobicContact CZ-CG2 4.37Å; I585-Y587 VanDerWaalsContact C-N 3.28Å; I585-Y587 PolarHBondContact O-N 2.84Å; I585-V588 HydrophobicContact CB-CG2 4.13Å; I585-V588 HydrophobicContact CD1-CG2 4.38Å; I585-V588 HydrophobicContact CG2-CG2 3.81Å; I585-Y596 HydrophobicContact CD1-CE1 4.04Å; I585-Y596 HydrophobicContact CD1-CE2 4.26Å; I585-L613 HydrophobicContact CD1-CD2 3.66Å |
| 586 | L | 85.4 | Confident | 89.4 | Confident | 51 Ų | 51 | 44.3 Ų | 44.3 | 27% | 0.267 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -64.6 | -34.8 | -171.7 | -69.6 | -176.1 | 0 | 0 | 0 | 113.4 | S540 H570 R571 | S540-L586 VanDerWaalsContact CA-O 3.24Å; S540-L586 WeakPolarHBondContact CA-O 3.24Å; S540-L586 VanDerWaalsContact CB-O 3.28Å; S540-L586 WeakPolarHBondContact CB-O 3.23Å; S540-L586 PolarHBondContact OG-O 2.79Å; H570-L586 WeakPolarHBondContact O-CD1 3.39Å; R571-L586 PolarHBondContact O-N 2.84Å |
| 587 | Y | 87.4 | Confident | 89.9 | Confident | 80.5 Ų | 80.5 | 42.7 Ų | 42.7 | 32% | 0.316 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -150.6 | 125.9 | 175.8 | 6.3 | -79.7 | 0 | 0 | 0 | 108.1 | Q539 H570 R571 I585 Y589 | Q539-Y587 CarbonylContact O-C 3.53Å; Q539-Y587 WeakPolarHBondContact O-CA 3.45Å; H570-Y587 AromaticContact NE2-CZ 3.99Å; H570-Y587 PolarHBondContact NE2-OH 2.76Å; R571-Y587 HydrophobicContact CB-CE1 4.48Å; R571-Y587 HydrophobicContact CG-CD1 4.32Å; R571-Y587 HydrophobicContact CG-CD2 4.33Å; R571-Y587 HydrophobicContact CG-CE1 4.07Å; R571-Y587 HydrophobicContact CG-CE2 4.12Å; R571-Y587 HydrophobicContact CG-CG 4.44Å; R571-Y587 PolarHBondContact NH1-O 3.35Å; I585-Y587 VanDerWaalsContact C-N 3.28Å; I585-Y587 PolarHBondContact O-N 2.84Å; Y587-Y589 AromaticContact CD2-CE2 3.59Å; Y587-Y589 HydrophobicContact CD2-CE2 3.59Å; Y587-Y589 AromaticContact CD2-CZ 3.67Å; Y587-Y589 WeakPolarHBondContact CD2-OH 3.11Å; Y587-Y589 AromaticContact CE2-CE2 3.66Å; Y587-Y589 HydrophobicContact CE2-CE2 3.66Å; Y587-Y589 AromaticContact CE2-CZ 3.8Å; Y587-Y589 VanDerWaalsContact CE2-OH 3.28Å; Y587-Y589 WeakPolarHBondContact CE2-OH 3.45Å |
| 588 | V | 89.6 | Confident | 90.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -95.4 | 135.9 | -177.3 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | A535 E537 G538 Q539 V541 I585 D592 L613 C615 | A535-V588 HydrophobicContact CB-CB 4.39Å; A535-V588 HydrophobicContact CB-CG1 4.48Å; A535-V588 HydrophobicContact CB-CG2 4.3Å; E537-V588 CarbonylContact C-O 3.55Å; E537-V588 WeakPolarHBondContact CA-O 3.3Å; G538-V588 PolarHBondContact N-O 3.08Å; Q539-V588 WeakPolarHBondContact O-CG2 3.46Å; Q539-V588 PolarHBondContact O-N 2.82Å; V541-V588 HydrophobicContact CB-CG2 3.86Å; V541-V588 HydrophobicContact CG2-CG2 3.54Å; V541-V588 VanDerWaalsContact CG2-CG2 3.45Å; I585-V588 HydrophobicContact CB-CG2 4.13Å; I585-V588 HydrophobicContact CD1-CG2 4.38Å; I585-V588 HydrophobicContact CG2-CG2 3.81Å; V588-D592 WeakPolarHBondContact CA-OD2 3.21Å; V588-D592 HydrophobicContact CG1-CB 4.03Å; V588-L613 HydrophobicContact CG1-CD2 3.95Å; V588-L613 HydrophobicContact CG1-CG 4.39Å; V588-L613 HydrophobicContact CG2-CD2 4.21Å; V588-C615 HydrophobicContact CG1-CB 3.8Å | ||
| 589 | Y | 87.1 | Confident | 91 | Very high | 87 Ų | 87 | 34.6 Ų | 34.6 | 34% | 0.341 | 17% | 0.17 | S | C | . | . | trans | -114.6 | 164.7 | 173.2 | -64.1 | -70.3 | 0 | 0 | 0 | 111.1 | E537 Y587 E591 D592 C615 | E537-Y589 HydrophobicContact CG-CD1 4.33Å; Y587-Y589 AromaticContact CD2-CE2 3.59Å; Y587-Y589 HydrophobicContact CD2-CE2 3.59Å; Y587-Y589 AromaticContact CD2-CZ 3.67Å; Y587-Y589 WeakPolarHBondContact CD2-OH 3.11Å; Y587-Y589 AromaticContact CE2-CE2 3.66Å; Y587-Y589 HydrophobicContact CE2-CE2 3.66Å; Y587-Y589 AromaticContact CE2-CZ 3.8Å; Y587-Y589 VanDerWaalsContact CE2-OH 3.28Å; Y587-Y589 WeakPolarHBondContact CE2-OH 3.45Å; Y589-E591 PolarHBondContact O-N 2.93Å; Y589-E591 VanDerWaalsContact O-N 3.11Å; Y589-D592 PolarHBondContact N-OD2 2.82Å; Y589-D592 WeakPolarHBondContact O-CB 3.13Å; Y589-D592 PolarHBondContact O-N 3.08Å; Y589-C615 VanDerWaalsContact C-SG 3.52Å; Y589-C615 WeakPolarHBondContact O-CB 3.38Å | ||
| 590 | P | 84.6 | Confident | 91.5 | Very high | 57.5 Ų | 57.5 | 34.6 Ų | 34.6 | 37% | 0.373 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -52 | -36.7 | 175.7 | -29.7 | 37.4 | 0 | 0 | 0 | 114 | D592 S593 | P590-D592 VanDerWaalsContact C-N 3.29Å; P590-D592 PolarHBondContact O-N 3.12Å; P590-S593 VanDerWaalsContact O-CB 3.25Å; P590-S593 WeakPolarHBondContact O-CB 3.3Å; P590-S593 PolarHBondContact O-N 3.06Å; P590-S593 VanDerWaalsContact O-N 3.15Å; P590-S593 PolarHBondContact O-OG 2.94Å |
| 591 | E | 87.3 | Confident | 91.4 | Very high | 133.5 Ų | 133.5 | 36.4 Ų | 36.4 | 62% | 0.624 | 18% | 0.176 | S | C | * | . | G | 310 helix | trans | -67.8 | -18.7 | 176.9 | 57 | -174.9 | -133.8 | 0 | 0 | 115.1 | F561 Y589 S593 | F561-E591 WeakPolarHBondContact CZ-O 3.45Å; Y589-E591 PolarHBondContact O-N 2.93Å; Y589-E591 VanDerWaalsContact O-N 3.11Å; E591-S593 VanDerWaalsContact C-N 3.26Å; E591-S593 PolarHBondContact O-N 3.15Å |
| 592 | D | 90.9 | Very high | 91 | Very high | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.032 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -84.1 | -0.9 | 174.3 | -57 | -48.8 | 0 | 0 | 0 | 112.4 | F561 R571 F572 V588 Y589 P590 G594 Y596 | F561-D592 VanDerWaalsContact CE2-O 3.28Å; F561-D592 WeakPolarHBondContact CE2-O 3.44Å; R571-D592 IonicContact CZ-OD1 3.58Å; R571-D592 IonicContact CZ-OD2 3.31Å; R571-D592 VanDerWaalsContact NH1-CG 3.3Å; R571-D592 IonicContact NH1-OD1 3.1Å; R571-D592 PolarHBondContact NH1-OD1 2.9Å; R571-D592 IonicContact NH1-OD2 3.12Å; R571-D592 PolarHBondContact NH1-OD2 2.98Å; R571-D592 IonicContact NH2-OD1 3.32Å; R571-D592 PolarHBondContact NH2-OD1 2.76Å; R571-D592 IonicContact NH2-OD2 3.77Å; R571-D592 PolarHBondContact NH2-OD2 2.92Å; F572-D592 WeakPolarHBondContact CZ-OD1 3.39Å; V588-D592 WeakPolarHBondContact CA-OD2 3.21Å; V588-D592 HydrophobicContact CG1-CB 4.03Å; Y589-D592 PolarHBondContact N-OD2 2.82Å; Y589-D592 WeakPolarHBondContact O-CB 3.13Å; Y589-D592 PolarHBondContact O-N 3.08Å; P590-D592 VanDerWaalsContact C-N 3.29Å; P590-D592 PolarHBondContact O-N 3.12Å; D592-G594 PolarHBondContact O-N 3.49Å; D592-Y596 VanDerWaalsContact O-CE2 3.31Å; D592-Y596 WeakPolarHBondContact O-CE2 3.29Å; D592-Y596 PolarHBondContact O-OH 3.46Å |
| 593 | S | 91.9 | Very high | 90.2 | Very high | 39 Ų | 39 | 40.7 Ų | 40.7 | 27% | 0.273 | 22% | 0.217 | S | C | . | . | trans | -68.7 | 131.4 | 175.2 | -53.5 | 0 | 0 | 0 | 0 | 110.4 | N562 P590 E591 L613 C615 | N562-S593 PolarHBondContact ND2-O 3.26Å; P590-S593 VanDerWaalsContact O-CB 3.25Å; P590-S593 WeakPolarHBondContact O-CB 3.3Å; P590-S593 PolarHBondContact O-N 3.06Å; P590-S593 VanDerWaalsContact O-N 3.15Å; P590-S593 PolarHBondContact O-OG 2.94Å; E591-S593 VanDerWaalsContact C-N 3.26Å; E591-S593 PolarHBondContact O-N 3.15Å; S593-L613 CarbonylContact C-O 3.48Å; S593-L613 VanDerWaalsContact CA-O 3.23Å; S593-L613 WeakPolarHBondContact CA-O 3.36Å; S593-C615 VanDerWaalsContact OG-CB 3.32Å; S593-C615 WeakPolarHBondContact OG-CB 3.43Å; S593-C615 PolarHBondContact OG-N 2.92Å | ||
| 594 | G | 92.2 | Very high | 89.6 | Confident | 5 Ų | 5 | 43.2 Ų | 43.2 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 152.9 | -169.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N562 D592 Y596 L613 | N562-G594 VanDerWaalsContact OD1-CA 3.27Å; N562-G594 WeakPolarHBondContact OD1-CA 3.3Å; D592-G594 PolarHBondContact O-N 3.49Å; G594-Y596 PolarHBondContact O-N 2.98Å; G594-L613 PolarHBondContact N-O 3.4Å; G594-L613 PolarHBondContact O-N 3.12Å |
| 595 | D | 94.6 | Very high | 89.2 | Confident | 51 Ų | 51 | 42.6 Ų | 42.6 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 111 | -175.4 | -70.4 | -43.8 | 0 | 0 | 0 | 111.6 | F561 N562 Q610 H612 | F561-D595 CarbonylContact C-O 3.53Å; F561-D595 WeakPolarHBondContact CA-O 3.46Å; N562-D595 PolarHBondContact N-O 3.31Å; N562-D595 PolarHBondContact OD1-N 2.86Å; D595-Q610 HydrophobicContact CB-CG 4.39Å; D595-Q610 PolarHBondContact OD1-NE2 3.09Å; D595-Q610 PolarHBondContact OD2-NE2 3.05Å; D595-H612 IonicContact OD1-CE1 3.79Å; D595-H612 IonicContact OD1-CG 3.6Å; D595-H612 IonicContact OD1-ND1 2.81Å; D595-H612 PolarHBondContact OD1-ND1 3.23Å |
| 596 | Y | 95.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 119.1 | 171.3 | -72.2 | -93.5 | 0 | 0 | 0 | 110 | L543 Y560 F561 L566 F572 L583 I585 D592 G594 Q610 C611 L613 | L543-Y596 HydrophobicContact CD1-CD1 4.29Å; L543-Y596 HydrophobicContact CD1-CD2 4.18Å; L543-Y596 HydrophobicContact CD1-CG 3.78Å; Y560-Y596 CarbonylContact O-C 3.56Å; Y560-Y596 VanDerWaalsContact O-CA 3.29Å; Y560-Y596 WeakPolarHBondContact O-CA 3.26Å; F561-Y596 HydrophobicContact CB-CD1 4.38Å; F561-Y596 HydrophobicContact CB-CE1 4.16Å; F561-Y596 HydrophobicContact CD2-CD1 4.18Å; F561-Y596 AromaticContact CD2-CD2 3.92Å; F561-Y596 HydrophobicContact CD2-CD2 3.99Å; F561-Y596 AromaticContact CD2-CE1 3.75Å; F561-Y596 HydrophobicContact CD2-CE1 3.75Å; F561-Y596 AromaticContact CD2-CE2 3.52Å; F561-Y596 HydrophobicContact CD2-CE2 3.52Å; F561-Y596 VanDerWaalsContact CD2-CE2 3.49Å; F561-Y596 HydrophobicContact CD2-CG 4.3Å; F561-Y596 AromaticContact CD2-CZ 3.38Å; F561-Y596 HydrophobicContact CE2-CD2 4.38Å; F561-Y596 HydrophobicContact CE2-CE1 4.47Å; F561-Y596 AromaticContact CE2-CE2 3.63Å; F561-Y596 HydrophobicContact CE2-CE2 3.63Å; F561-Y596 AromaticContact CE2-CZ 3.7Å; F561-Y596 HydrophobicContact CG-CE1 4.21Å; L566-Y596 HydrophobicContact CD1-CE1 4.32Å; L566-Y596 HydrophobicContact CD2-CD1 4.29Å; L566-Y596 HydrophobicContact CD2-CE1 4.11Å; F572-Y596 HydrophobicContact CE1-CE1 4.27Å; L583-Y596 HydrophobicContact CD2-CD1 3.69Å; L583-Y596 HydrophobicContact CD2-CE1 4.11Å; I585-Y596 HydrophobicContact CD1-CE1 4.04Å; I585-Y596 HydrophobicContact CD1-CE2 4.26Å; D592-Y596 VanDerWaalsContact O-CE2 3.31Å; D592-Y596 WeakPolarHBondContact O-CE2 3.29Å; D592-Y596 PolarHBondContact O-OH 3.46Å; G594-Y596 PolarHBondContact O-N 2.98Å; Y596-Q610 CarbonylContact O-C 3.47Å; Y596-Q610 VanDerWaalsContact O-CA 3.27Å; Y596-Q610 WeakPolarHBondContact O-CA 3.41Å; Y596-C611 PolarHBondContact N-O 3.23Å; Y596-C611 PolarHBondContact O-N 3.26Å; Y596-L613 HydrophobicContact CD2-CB 3.94Å; Y596-L613 HydrophobicContact CD2-CD2 4.44Å; Y596-L613 HydrophobicContact CE2-CB 3.81Å; Y596-L613 HydrophobicContact CE2-CD2 3.74Å; Y596-L613 HydrophobicContact CE2-CG 4.41Å |
| 597 | I | 95.5 | Very high | 89.3 | Confident | 31 Ų | 31 | 45.1 Ų | 45.1 | 16% | 0.159 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121.4 | -178.9 | -54.5 | 168 | 0 | 0 | 0 | 109.5 | W559 Y560 Q608 S609 Q610 | W559-I597 CarbonylContact C-O 3.53Å; W559-I597 VanDerWaalsContact CA-O 3.28Å; W559-I597 WeakPolarHBondContact CA-O 3.28Å; Y560-I597 PolarHBondContact N-O 2.92Å; Y560-I597 PolarHBondContact O-N 3.08Å; I597-Q608 HydrophobicContact CG2-CB 4.17Å; I597-S609 CarbonylContact C-O 3.54Å; I597-S609 WeakPolarHBondContact CA-O 3.35Å; I597-Q610 HydrophobicContact CG1-CB 4.14Å; I597-Q610 HydrophobicContact CG1-CG 3.91Å |
| 598 | C | 94.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 113.7 | 168.3 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | F525 L529 W559 Q608 S609 | F525-C598 HydrophobicContact CZ-CB 4.39Å; L529-C598 HydrophobicContact CD1-CB 4.03Å; W559-C598 HydrophobicContact CD2-CB 4.13Å; W559-C598 HydrophobicContact CE3-CB 3.98Å; W559-C598 HydrophobicContact CH2-CB 3.93Å; W559-C598 HydrophobicContact CZ2-CB 4.02Å; W559-C598 HydrophobicContact CZ3-CB 3.88Å; C598-Q608 CarbonylContact O-C 3.45Å; C598-Q608 VanDerWaalsContact O-CA 3.29Å; C598-Q608 WeakPolarHBondContact O-CA 3.33Å; C598-S609 PolarHBondContact N-O 3.42Å; C598-S609 PolarHBondContact O-N 3.28Å |
| 599 | L | 93.6 | Very high | 89.8 | Confident | 35 Ų | 35 | 47.8 Ų | 47.8 | 18% | 0.183 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 126.7 | 173.5 | 179.8 | 70.2 | 0 | 0 | 0 | 109.6 | V557 T558 Y560 Q608 | V557-L599 CarbonylContact C-O 3.58Å; V557-L599 WeakPolarHBondContact CA-O 3.37Å; T558-L599 PolarHBondContact N-O 2.85Å; T558-L599 WeakPolarHBondContact O-CB 3.5Å; T558-L599 PolarHBondContact O-N 3Å; Y560-L599 HydrophobicContact CD2-CB 4.4Å; Y560-L599 HydrophobicContact CE2-CB 4.15Å; Y560-L599 HydrophobicContact CE2-CD2 4Å; L599-Q608 HydrophobicContact CD1-CB 4.11Å |
| 600 | V | 92 | Very high | 90.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 136.3 | 173.2 | -91.4 | 0 | 0 | 0 | 0 | 110.1 | P523 F525 V547 L555 S556 V557 I581 S606 A607 | P523-V600 HydrophobicContact CB-CB 4.48Å; P523-V600 HydrophobicContact CB-CG2 3.93Å; P523-V600 HydrophobicContact CG-CG2 4.13Å; F525-V600 HydrophobicContact CE1-CG1 4.22Å; F525-V600 HydrophobicContact CE1-CG2 4.14Å; F525-V600 HydrophobicContact CE2-CG2 3.69Å; F525-V600 HydrophobicContact CZ-CB 4.45Å; F525-V600 HydrophobicContact CZ-CG1 3.88Å; F525-V600 HydrophobicContact CZ-CG2 3.46Å; V547-V600 HydrophobicContact CG2-CB 4.43Å; V547-V600 HydrophobicContact CG2-CG1 4.41Å; V547-V600 HydrophobicContact CG2-CG2 4.05Å; L555-V600 HydrophobicContact CD1-CB 4.13Å; L555-V600 HydrophobicContact CD1-CG1 3.6Å; L555-V600 HydrophobicContact CD2-CG1 4.39Å; L555-V600 HydrophobicContact CG-CG1 3.9Å; S556-V600 CarbonylContact O-C 3.53Å; S556-V600 WeakPolarHBondContact O-CA 3.24Å; V557-V600 HydrophobicContact CG2-CG1 4.06Å; I581-V600 HydrophobicContact CD1-CG1 3.46Å; I581-V600 HydrophobicContact CD1-CG2 4.21Å; V600-S606 CarbonylContact O-C 3.57Å; V600-S606 WeakPolarHBondContact O-CA 3.29Å; V600-S606 VanDerWaalsContact O-CB 3.24Å; V600-S606 WeakPolarHBondContact O-CB 3.3Å; V600-A607 HydrophobicContact CG2-CB 3.84Å; V600-A607 VanDerWaalsContact CG2-O 3.32Å; V600-A607 WeakPolarHBondContact CG2-O 3.21Å; V600-A607 PolarHBondContact N-O 3.01Å; V600-A607 PolarHBondContact O-N 2.94Å |
| 601 | R | 89.3 | Confident | 90.6 | Very high | 137.333 Ų | 137.333 | 44.8 Ų | 44.8 | 52% | 0.518 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 142.6 | -179.8 | 68 | -174.8 | -178.2 | 175.3 | 0.6 | 111.7 | L555 S556 G605 | L555-R601 CarbonylContact C-O 3.54Å; L555-R601 WeakPolarHBondContact CA-O 3.13Å; S556-R601 PolarHBondContact N-O 3.23Å; S556-R601 PolarHBondContact O-N 2.72Å; S556-R601 WeakPolarHBondContact OG-CD 3.41Å; S556-R601 WeakPolarHBondContact OG-CG 3.35Å; S556-R601 PolarHBondContact OG-NE 3.28Å; S556-R601 PolarHBondContact OG-O 2.91Å; R601-G605 CarbonylContact C-O 3.56Å; R601-G605 WeakPolarHBondContact CA-O 3.33Å |
| 602 | N | 84.8 | Confident | 90.9 | Very high | 22 Ų | 22 | 41.5 Ų | 41.5 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | -172.5 | 168 | 73.1 | 5.8 | 0 | 0 | 0 | 110.1 | A521 P523 D552 L555 S604 G605 | A521-N602 PolarHBondContact O-ND2 3.18Å; P523-N602 VanDerWaalsContact CD-OD1 3.32Å; P523-N602 WeakPolarHBondContact CD-OD1 3.4Å; D552-N602 WeakPolarHBondContact OD2-CB 3.36Å; D552-N602 PolarHBondContact OD2-ND2 3.1Å; L555-N602 HydrophobicContact CD1-CB 4.36Å; N602-S604 PolarHBondContact O-N 2.86Å; N602-S604 VanDerWaalsContact O-N 3.12Å; N602-S604 WeakPolarHBondContact OD1-CA 3.32Å; N602-S604 WeakPolarHBondContact OD1-CB 3.49Å; N602-S604 PolarHBondContact OD1-N 3.16Å; N602-G605 PolarHBondContact N-O 2.88Å; N602-G605 PolarHBondContact O-N 3.35Å; N602-G605 PolarHBondContact OD1-N 3.12Å; N602-G605 VanDerWaalsContact OD1-N 3.11Å; N602-G605 PolarHBondContact OD1-O 3.34Å |
| 603 | G | 78.7 | Confident | 91 | Very high | 80 Ų | 80 | 41.2 Ų | 41.2 | 83% | 0.825 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -14.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 604 | S | 81 | Confident | 91 | Very high | 52.3333 Ų | 52.3333 | 41.8 Ų | 41.8 | 37% | 0.366 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -21.8 | -177.4 | -62.9 | 0 | 0 | 0 | 0 | 114.1 | A520 T522 N602 | A520-S604 VanDerWaalsContact C-OG 3.26Å; A520-S604 WeakPolarHBondContact CB-OG 3.32Å; A520-S604 VanDerWaalsContact O-CB 3.3Å; A520-S604 WeakPolarHBondContact O-CB 3.25Å; A520-S604 PolarHBondContact O-OG 2.99Å; T522-S604 WeakPolarHBondContact CG2-O 3.44Å; N602-S604 PolarHBondContact O-N 2.86Å; N602-S604 VanDerWaalsContact O-N 3.12Å; N602-S604 WeakPolarHBondContact OD1-CA 3.32Å; N602-S604 WeakPolarHBondContact OD1-CB 3.49Å; N602-S604 PolarHBondContact OD1-N 3.16Å |
| 605 | G | 85 | Confident | 90.8 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 27% | 0.268 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.1 | -165.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | P523 R601 N602 | P523-G605 WeakPolarHBondContact CD-O 3.39Å; R601-G605 CarbonylContact C-O 3.56Å; R601-G605 WeakPolarHBondContact CA-O 3.33Å; N602-G605 PolarHBondContact N-O 2.88Å; N602-G605 PolarHBondContact O-N 3.35Å; N602-G605 PolarHBondContact OD1-N 3.12Å; N602-G605 VanDerWaalsContact OD1-N 3.11Å; N602-G605 PolarHBondContact OD1-O 3.34Å |
| 606 | S | 89.7 | Confident | 90 | Very high | 81.3333 Ų | 81.3333 | 41.3 Ų | 41.3 | 57% | 0.569 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 152.8 | 179.6 | 59.4 | 0 | 0 | 0 | 0 | 112.5 | V600 | V600-S606 CarbonylContact O-C 3.57Å; V600-S606 WeakPolarHBondContact O-CA 3.29Å; V600-S606 VanDerWaalsContact O-CB 3.24Å; V600-S606 WeakPolarHBondContact O-CB 3.3Å |
| 607 | A | 91.2 | Very high | 88.2 | Confident | 23.3333 Ų | 23.3333 | 45.2 Ų | 45.2 | 19% | 0.193 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 153.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | P523 F525 V600 | P523-A607 VanDerWaalsContact O-CB 3.23Å; P523-A607 WeakPolarHBondContact O-CB 3.45Å; F525-A607 HydrophobicContact CD2-CB 4.03Å; F525-A607 HydrophobicContact CE2-CB 3.99Å; V600-A607 HydrophobicContact CG2-CB 3.84Å; V600-A607 VanDerWaalsContact CG2-O 3.32Å; V600-A607 WeakPolarHBondContact CG2-O 3.21Å; V600-A607 PolarHBondContact N-O 3.01Å; V600-A607 PolarHBondContact O-N 2.94Å |
| 608 | Q | 92.8 | Very high | 86.2 | Confident | 127.667 Ų | 127.667 | 50.2 Ų | 50.2 | 60% | 0.597 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 150.6 | 176.3 | 68.9 | -177.5 | 49.2 | 0 | 0 | 112.4 | I597 C598 L599 | I597-Q608 HydrophobicContact CG2-CB 4.17Å; C598-Q608 CarbonylContact O-C 3.45Å; C598-Q608 VanDerWaalsContact O-CA 3.29Å; C598-Q608 WeakPolarHBondContact O-CA 3.33Å; L599-Q608 HydrophobicContact CD1-CB 4.11Å |
| 609 | S | 93.4 | Very high | 84.1 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 6% | 0.056 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 146.4 | 171.4 | -168.1 | 0 | 0 | 0 | 0 | 109 | K528 L529 I597 C598 | K528-S609 WeakPolarHBondContact CB-OG 3.28Å; L529-S609 PolarHBondContact N-OG 2.89Å; I597-S609 CarbonylContact C-O 3.54Å; I597-S609 WeakPolarHBondContact CA-O 3.35Å; C598-S609 PolarHBondContact N-O 3.42Å; C598-S609 PolarHBondContact O-N 3.28Å |
| 610 | Q | 94.3 | Very high | 81.5 | Confident | 81.6667 Ų | 81.6667 | 62.3 Ų | 62.3 | 38% | 0.382 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 146.8 | -174.3 | 178.3 | 176.4 | -20.1 | 0 | 0 | 111.2 | D595 Y596 I597 | D595-Q610 HydrophobicContact CB-CG 4.39Å; D595-Q610 PolarHBondContact OD1-NE2 3.09Å; D595-Q610 PolarHBondContact OD2-NE2 3.05Å; Y596-Q610 CarbonylContact O-C 3.47Å; Y596-Q610 VanDerWaalsContact O-CA 3.27Å; Y596-Q610 WeakPolarHBondContact O-CA 3.41Å; I597-Q610 HydrophobicContact CG1-CB 4.14Å; I597-Q610 HydrophobicContact CG1-CG 3.91Å |
| 611 | C | 94.7 | Very high | 79 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 134.9 | 169.7 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | L529 C530 L543 Y596 | L529-C611 HydrophobicContact CB-CB 3.97Å; L529-C611 HydrophobicContact CD1-CB 4.24Å; C530-C611 VanDerWaalsContact O-CA 3.25Å; C530-C611 WeakPolarHBondContact O-CA 3.37Å; C530-C611 WeakPolarHBondContact O-CB 3.32Å; C530-C611 PolarHBondContact O-SG 3.11Å; C530-C611 VanDerWaalsContact O-SG 3.34Å; L543-C611 HydrophobicContact CD1-CB 4.38Å; L543-C611 HydrophobicContact CD2-CB 4.17Å; L543-C611 VanDerWaalsContact CD2-SG 3.58Å; Y596-C611 PolarHBondContact N-O 3.23Å; Y596-C611 PolarHBondContact O-N 3.26Å |
| 612 | H | 94.4 | Very high | 76.8 | Confident | 65 Ų | 65 | 68.7 Ų | 68.7 | 30% | 0.301 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 108.2 | 172.4 | -166.9 | 79.9 | 0 | 0 | 0 | 110.9 | D531 Q532 M533 D595 | D531-H612 PolarHBondContact O-N 2.85Å; Q532-H612 CarbonylContact C-O 3.54Å; Q532-H612 WeakPolarHBondContact CA-O 3.33Å; Q532-H612 HydrophobicContact CG-CB 4.37Å; M533-H612 PolarHBondContact N-O 3.23Å; D595-H612 IonicContact OD1-CE1 3.79Å; D595-H612 IonicContact OD1-CG 3.6Å; D595-H612 IonicContact OD1-ND1 2.81Å; D595-H612 PolarHBondContact OD1-ND1 3.23Å |
| 613 | L | 93 | Very high | 74.7 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 130.5 | 176.3 | 179.7 | 61.1 | 0 | 0 | 0 | 110.4 | M533 A535 V541 I585 V588 S593 G594 Y596 | M533-L613 HydrophobicContact CB-CD1 3.88Å; M533-L613 HydrophobicContact CG-CD1 3.75Å; M533-L613 CarbonylContact O-C 3.43Å; M533-L613 WeakPolarHBondContact O-CA 3.44Å; A535-L613 HydrophobicContact CB-CD1 4.34Å; V541-L613 HydrophobicContact CG1-CD1 4.21Å; V541-L613 HydrophobicContact CG2-CD1 4.17Å; I585-L613 HydrophobicContact CD1-CD2 3.66Å; V588-L613 HydrophobicContact CG1-CD2 3.95Å; V588-L613 HydrophobicContact CG1-CG 4.39Å; V588-L613 HydrophobicContact CG2-CD2 4.21Å; S593-L613 CarbonylContact C-O 3.48Å; S593-L613 VanDerWaalsContact CA-O 3.23Å; S593-L613 WeakPolarHBondContact CA-O 3.36Å; G594-L613 PolarHBondContact N-O 3.4Å; G594-L613 PolarHBondContact O-N 3.12Å; Y596-L613 HydrophobicContact CD2-CB 3.94Å; Y596-L613 HydrophobicContact CD2-CD2 4.44Å; Y596-L613 HydrophobicContact CE2-CB 3.81Å; Y596-L613 HydrophobicContact CE2-CD2 3.74Å; Y596-L613 HydrophobicContact CE2-CG 4.41Å |
| 614 | T | 91.7 | Very high | 73 | Confident | 51.6667 Ų | 51.6667 | 74.9 Ų | 74.9 | 32% | 0.317 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 118 | 174.6 | -25.7 | 0 | 0 | 0 | 0 | 109.9 | M533 Q534 A535 | M533-T614 PolarHBondContact O-N 3.29Å; Q534-T614 WeakPolarHBondContact CA-O 3.35Å; A535-T614 PolarHBondContact N-O 2.95Å |
| 615 | C | 86.9 | Confident | 71.2 | Confident | 14.3333 Ų | 14.3333 | 76.7 Ų | 76.7 | 10% | 0.097 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 124.1 | 175.7 | -174.9 | 0 | 0 | 0 | 0 | 111.3 | A535 E537 V588 Y589 S593 S617 | A535-C615 CarbonylContact O-C 3.53Å; A535-C615 VanDerWaalsContact O-CA 3.28Å; A535-C615 WeakPolarHBondContact O-CA 3.41Å; E537-C615 VanDerWaalsContact CA-SG 3.58Å; V588-C615 HydrophobicContact CG1-CB 3.8Å; Y589-C615 VanDerWaalsContact C-SG 3.52Å; Y589-C615 WeakPolarHBondContact O-CB 3.38Å; S593-C615 VanDerWaalsContact OG-CB 3.32Å; S593-C615 WeakPolarHBondContact OG-CB 3.43Å; S593-C615 PolarHBondContact OG-N 2.92Å; C615-S617 PolarHBondContact O-N 2.8Å |
| 616 | G | 78 | Confident | 69.4 | Low | 31.6667 Ų | 31.6667 | 80.3 Ų | 80.3 | 33% | 0.326 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 107.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | A535 E537 K618 | A535-G616 PolarHBondContact O-N 3.12Å; E537-G616 WeakPolarHBondContact CB-O 3.27Å; E537-G616 PolarHBondContact N-O 2.92Å; G616-K618 PolarHBondContact O-N 2.94Å |
| 617 | S | 58.5 | Low | 67.4 | Low | 81.3333 Ų | 81.3333 | 80.2 Ų | 80.2 | 57% | 0.569 | 43% | 0.433 | S | S | * | . | trans | -67.9 | 126.4 | 174 | 60.1 | 0 | 0 | 0 | 0 | 110.4 | C615 K619 | C615-S617 PolarHBondContact O-N 2.8Å; S617-K619 PolarHBondContact O-N 3.01Å | ||
| 618 | K | 54.1 | Low | 65.4 | Low | 136 Ų | 136 | 83 Ų | 83 | 59% | 0.591 | 45% | 0.45 | S | S | * | . | trans | -65.6 | 137.5 | 161.7 | -78.5 | 173.9 | -179.6 | 164.7 | 0 | 107.7 | E537 G616 S620 M621 | E537-K618 HydrophobicContact CB-CD 4.5Å; E537-K618 PolarHBondContact O-NZ 2.9Å; E537-K618 WeakPolarHBondContact OE2-CB 3.2Å; E537-K618 PolarHBondContact OE2-N 3.27Å; G616-K618 PolarHBondContact O-N 2.94Å; K618-S620 VanDerWaalsContact C-N 3.29Å; K618-S620 PolarHBondContact O-N 2.86Å; K618-M621 PolarHBondContact O-N 2.89Å | ||
| 619 | K | 49.1 | Very low | 63.7 | Low | 213.667 Ų | 213.667 | 81.4 Ų | 81.4 | 93% | 0.929 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -64.7 | 68 | -177.9 | -78.1 | -176.9 | 177.4 | 175.1 | 0 | 112.4 | S617 | S617-K619 PolarHBondContact O-N 3.01Š|
| 620 | S | 39.6 | Very low | 61.5 | Low | 74.6667 Ų | 74.6667 | 82.3 Ų | 82.3 | 52% | 0.522 | 45% | 0.452 | S | S | . | . | trans | -111.5 | 76.1 | 173.9 | -171 | 0 | 0 | 0 | 0 | 113.9 | K618 L622 T623 | K618-S620 VanDerWaalsContact C-N 3.29Å; K618-S620 PolarHBondContact O-N 2.86Å; S620-L622 PolarHBondContact O-N 3.18Å; S620-L622 VanDerWaalsContact OG-CB 3.23Å; S620-L622 WeakPolarHBondContact OG-CB 3.41Å; S620-L622 WeakPolarHBondContact OG-CD1 3.39Å; S620-L622 WeakPolarHBondContact OG-CG 3.14Å; S620-L622 PolarHBondContact OG-N 3Å; S620-L622 VanDerWaalsContact OG-N 3.11Å; S620-T623 PolarHBondContact O-N 3.04Å; S620-T623 PolarHBondContact O-OG1 2.96Å; S620-T623 VanDerWaalsContact O-OG1 3.08Å | ||
| 621 | M | 38.8 | Very low | 59.7 | Low | 163.333 Ų | 163.333 | 81.8 Ų | 81.8 | 81% | 0.805 | 45% | 0.451 | S | S | * | . | trans | -86.1 | 63.8 | 152.8 | -71.9 | -155.9 | -79.4 | 0 | 0 | 109.5 | K618 T623 T625 | K618-M621 PolarHBondContact O-N 2.89Å; M621-T623 PolarHBondContact O-N 3.16Å; M621-T625 PolarHBondContact O-OG1 3.23Å; M621-T625 VanDerWaalsContact O-OG1 3.07Å | ||
| 622 | L | 42.4 | Very low | 58.3 | Low | 108.667 Ų | 108.667 | 87.9 Ų | 87.9 | 57% | 0.569 | 48% | 0.478 | S | S | * | . | trans | -70.5 | 91.4 | 172.2 | -75.8 | 152 | 0 | 0 | 0 | 110.1 | S620 E624 T625 C626 S630 | S620-L622 PolarHBondContact O-N 3.18Å; S620-L622 VanDerWaalsContact OG-CB 3.23Å; S620-L622 WeakPolarHBondContact OG-CB 3.41Å; S620-L622 WeakPolarHBondContact OG-CD1 3.39Å; S620-L622 WeakPolarHBondContact OG-CG 3.14Å; S620-L622 PolarHBondContact OG-N 3Å; S620-L622 VanDerWaalsContact OG-N 3.11Å; L622-E624 VanDerWaalsContact C-N 3.34Å; L622-E624 HydrophobicContact CB-CB 3.99Å; L622-E624 HydrophobicContact CB-CG 3.97Å; L622-E624 HydrophobicContact CD2-CG 4.21Å; L622-E624 PolarHBondContact O-N 3.17Å; L622-T625 VanDerWaalsContact CA-OG1 3.26Å; L622-T625 WeakPolarHBondContact CA-OG1 3.42Å; L622-T625 PolarHBondContact O-OG1 2.97Å; L622-T625 VanDerWaalsContact O-OG1 3.08Å; L622-C626 WeakPolarHBondContact O-CB 3.43Å; L622-C626 PolarHBondContact O-N 3.17Å; L622-C626 VanDerWaalsContact O-N 3.14Å; L622-C626 PolarHBondContact O-SG 2.79Å; L622-S630 WeakPolarHBondContact CB-OG 3.19Å | ||
| 623 | T | 41.3 | Very low | 56.6 | Low | 107.333 Ų | 107.333 | 91 Ų | 91 | 66% | 0.658 | 49% | 0.49 | S | S | * | . | trans | -72.7 | 2.5 | 173.2 | 42.8 | 0 | 0 | 0 | 0 | 113.6 | S620 M621 T625 | S620-T623 PolarHBondContact O-N 3.04Å; S620-T623 PolarHBondContact O-OG1 2.96Å; S620-T623 VanDerWaalsContact O-OG1 3.08Å; M621-T623 PolarHBondContact O-N 3.16Å; T623-T625 PolarHBondContact O-N 3.5Å | ||
| 624 | E | 42.2 | Very low | 55.1 | Low | 124.333 Ų | 124.333 | 93.6 Ų | 93.6 | 58% | 0.581 | 50% | 0.503 | S | S | * | . | trans | -91.8 | 32.7 | 174.1 | -71.6 | -172.7 | 175.8 | 0 | 0 | 112 | L622 C626 H627 S630 | L622-E624 VanDerWaalsContact C-N 3.34Å; L622-E624 HydrophobicContact CB-CB 3.99Å; L622-E624 HydrophobicContact CB-CG 3.97Å; L622-E624 HydrophobicContact CD2-CG 4.21Å; L622-E624 PolarHBondContact O-N 3.17Å; E624-C626 PolarHBondContact O-N 3.09Å; E624-C626 VanDerWaalsContact O-N 3.07Å; E624-H627 HydrophobicContact CB-CB 4.19Å; E624-H627 PolarHBondContact O-N 2.92Å; E624-S630 WeakPolarHBondContact O-CB 3.3Å; E624-S630 PolarHBondContact O-OG 3Å | ||
| 625 | T | 44.4 | Very low | 53.7 | Low | 91.3333 Ų | 91.3333 | 95.7 Ų | 95.7 | 56% | 0.56 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -13.3 | 172 | 35.5 | 0 | 0 | 0 | 0 | 113.7 | M621 L622 T623 L631 I634 | M621-T625 PolarHBondContact O-OG1 3.23Å; M621-T625 VanDerWaalsContact O-OG1 3.07Å; L622-T625 VanDerWaalsContact CA-OG1 3.26Å; L622-T625 WeakPolarHBondContact CA-OG1 3.42Å; L622-T625 PolarHBondContact O-OG1 2.97Å; L622-T625 VanDerWaalsContact O-OG1 3.08Å; T623-T625 PolarHBondContact O-N 3.5Å; T625-L631 WeakPolarHBondContact O-CD2 3.15Å; T625-L631 WeakPolarHBondContact O-CG 3.41Å; T625-I634 HydrophobicContact CG2-CD1 4.36Å; T625-I634 WeakPolarHBondContact O-CD1 3.44Å |
| 626 | C | 46.8 | Very low | 52.6 | Low | 100.667 Ų | 100.667 | 101.6 Ų | 101.6 | 68% | 0.68 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 3.2 | 176.6 | -64 | 0 | 0 | 0 | 0 | 114.9 | L622 E624 L631 | L622-C626 WeakPolarHBondContact O-CB 3.43Å; L622-C626 PolarHBondContact O-N 3.17Å; L622-C626 VanDerWaalsContact O-N 3.14Å; L622-C626 PolarHBondContact O-SG 2.79Å; E624-C626 PolarHBondContact O-N 3.09Å; E624-C626 VanDerWaalsContact O-N 3.07Å; C626-L631 VanDerWaalsContact O-CD1 3.28Å; C626-L631 WeakPolarHBondContact O-CD1 3.49Å |
| 627 | H | 46.9 | Very low | 51.4 | Low | 79.3333 Ų | 79.3333 | 107 Ų | 107 | 37% | 0.367 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -78 | 135.7 | 178.1 | -175.4 | -90.4 | 0 | 0 | 0 | 110.9 | E624 D629 S630 L631 | E624-H627 HydrophobicContact CB-CB 4.19Å; E624-H627 PolarHBondContact O-N 2.92Å; H627-D629 VanDerWaalsContact C-N 3.28Å; H627-D629 IonicContact CE1-OD2 3.15Å; H627-D629 PolarHBondContact CE1-OD2 2.88Å; H627-D629 WeakPolarHBondContact ND1-CB 3.27Å; H627-D629 PolarHBondContact ND1-N 3.21Å; H627-D629 VanDerWaalsContact ND1-N 3.13Å; H627-D629 IonicContact ND1-OD2 3.52Å; H627-D629 PolarHBondContact O-N 2.9Å; H627-D629 VanDerWaalsContact O-N 3.12Å; H627-S630 CarbonylContact O-C 3.5Å; H627-S630 VanDerWaalsContact O-CA 3.3Å; H627-S630 WeakPolarHBondContact O-CA 3.38Å; H627-S630 WeakPolarHBondContact O-CB 3.24Å; H627-S630 PolarHBondContact O-N 2.8Å; H627-S630 VanDerWaalsContact O-N 3.07Å; H627-L631 WeakPolarHBondContact O-CB 3.29Å; H627-L631 PolarHBondContact O-N 2.96Å; H627-L631 VanDerWaalsContact O-N 3.12Å |
| 628 | P | 50.8 | Low | 51.2 | Low | 83 Ų | 83 | 110.1 Ų | 110.1 | 54% | 0.539 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60 | -28.7 | -173.1 | 19.2 | -31.6 | 0 | 0 | 0 | 115 | K632 | P628-K632 WeakPolarHBondContact O-CB 3.23Å; P628-K632 WeakPolarHBondContact O-CG 3.31Å; P628-K632 PolarHBondContact O-N 3.17Å |
| 629 | D | 56.3 | Low | 50.8 | Low | 93.3333 Ų | 93.3333 | 107.2 Ų | 107.2 | 50% | 0.499 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -80.4 | -26.9 | 173.6 | -65.2 | -39.6 | 0 | 0 | 0 | 113.1 | H627 K632 K633 | H627-D629 VanDerWaalsContact C-N 3.28Å; H627-D629 IonicContact CE1-OD2 3.15Å; H627-D629 PolarHBondContact CE1-OD2 2.88Å; H627-D629 WeakPolarHBondContact ND1-CB 3.27Å; H627-D629 PolarHBondContact ND1-N 3.21Å; H627-D629 VanDerWaalsContact ND1-N 3.13Å; H627-D629 IonicContact ND1-OD2 3.52Å; H627-D629 PolarHBondContact O-N 2.9Å; H627-D629 VanDerWaalsContact O-N 3.12Å; D629-K632 PolarHBondContact O-N 3.45Å; D629-K632 IonicContact OD1-NZ 3.7Å; D629-K632 PolarHBondContact OD1-NZ 3.02Å; D629-K633 WeakPolarHBondContact O-CB 3.22Å; D629-K633 PolarHBondContact O-N 3.07Å |
| 630 | S | 47.6 | Very low | 50.4 | Low | 28 Ų | 28 | 102.7 Ų | 102.7 | 20% | 0.196 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -72.7 | -40.3 | 171.5 | -54.5 | 0 | 0 | 0 | 0 | 110.6 | L622 E624 H627 K632 K633 I634 | L622-S630 WeakPolarHBondContact CB-OG 3.19Å; E624-S630 WeakPolarHBondContact O-CB 3.3Å; E624-S630 PolarHBondContact O-OG 3Å; H627-S630 CarbonylContact O-C 3.5Å; H627-S630 VanDerWaalsContact O-CA 3.3Å; H627-S630 WeakPolarHBondContact O-CA 3.38Å; H627-S630 WeakPolarHBondContact O-CB 3.24Å; H627-S630 PolarHBondContact O-N 2.8Å; H627-S630 VanDerWaalsContact O-N 3.07Å; S630-K632 VanDerWaalsContact C-N 3.33Å; S630-K632 PolarHBondContact O-N 3.27Å; S630-K633 CarbonylContact O-C 3.58Å; S630-K633 WeakPolarHBondContact O-CB 3.35Å; S630-K633 PolarHBondContact O-N 3.09Å; S630-I634 WeakPolarHBondContact O-CB 3.07Å; S630-I634 WeakPolarHBondContact O-CD1 3.41Å; S630-I634 VanDerWaalsContact O-CG1 3.3Å; S630-I634 WeakPolarHBondContact O-CG1 3.31Å; S630-I634 PolarHBondContact O-N 3.09Å; S630-I634 VanDerWaalsContact O-N 3.14Å |
| 631 | L | 56.5 | Low | 50.6 | Low | 71 Ų | 71 | 104.7 Ų | 104.7 | 37% | 0.372 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62 | -39 | 172.2 | -81.1 | 160.3 | 0 | 0 | 0 | 111.9 | T625 C626 H627 K633 I634 I635 | T625-L631 WeakPolarHBondContact O-CD2 3.15Å; T625-L631 WeakPolarHBondContact O-CG 3.41Å; C626-L631 VanDerWaalsContact O-CD1 3.28Å; C626-L631 WeakPolarHBondContact O-CD1 3.49Å; H627-L631 WeakPolarHBondContact O-CB 3.29Å; H627-L631 PolarHBondContact O-N 2.96Å; H627-L631 VanDerWaalsContact O-N 3.12Å; L631-K633 VanDerWaalsContact C-N 3.31Å; L631-K633 PolarHBondContact O-N 3.01Å; L631-I634 PolarHBondContact O-N 3.25Å; L631-I635 WeakPolarHBondContact O-CB 3.33Å; L631-I635 WeakPolarHBondContact O-CD1 3.32Å; L631-I635 WeakPolarHBondContact O-CG1 3.4Å; L631-I635 PolarHBondContact O-N 2.71Å |
| 632 | K | 64.8 | Low | 50.8 | Low | 127 Ų | 127 | 102.5 Ų | 102.5 | 55% | 0.552 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.4 | -42.4 | 170.7 | -82.4 | 176.9 | -174.6 | 165.1 | 0 | 112.2 | P628 D629 S630 I635 E636 | P628-K632 WeakPolarHBondContact O-CB 3.23Å; P628-K632 WeakPolarHBondContact O-CG 3.31Å; P628-K632 PolarHBondContact O-N 3.17Å; D629-K632 PolarHBondContact O-N 3.45Å; D629-K632 IonicContact OD1-NZ 3.7Å; D629-K632 PolarHBondContact OD1-NZ 3.02Å; S630-K632 VanDerWaalsContact C-N 3.33Å; S630-K632 PolarHBondContact O-N 3.27Å; K632-I635 CarbonylContact O-C 3.57Å; K632-I635 PolarHBondContact O-N 2.95Å; K632-E636 VanDerWaalsContact O-CB 3.24Å; K632-E636 WeakPolarHBondContact O-CB 3.38Å; K632-E636 VanDerWaalsContact O-CG 3.31Å; K632-E636 WeakPolarHBondContact O-CG 3.39Å; K632-E636 PolarHBondContact O-N 3.2Å |
| 633 | K | 59.9 | Low | 50.5 | Low | 130.667 Ų | 130.667 | 105 Ų | 105 | 57% | 0.568 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -71.6 | -34.1 | -178.8 | -148.7 | 169 | -171.9 | -179.4 | 0 | 112.2 | D629 S630 L631 E636 L637 | D629-K633 WeakPolarHBondContact O-CB 3.22Å; D629-K633 PolarHBondContact O-N 3.07Å; S630-K633 CarbonylContact O-C 3.58Å; S630-K633 WeakPolarHBondContact O-CB 3.35Å; S630-K633 PolarHBondContact O-N 3.09Å; L631-K633 VanDerWaalsContact C-N 3.31Å; L631-K633 PolarHBondContact O-N 3.01Å; K633-E636 PolarHBondContact O-N 2.86Å; K633-L637 WeakPolarHBondContact O-CB 3.26Å; K633-L637 VanDerWaalsContact O-CD1 3.25Å; K633-L637 WeakPolarHBondContact O-CD1 3.42Å; K633-L637 VanDerWaalsContact O-CG 3.23Å; K633-L637 WeakPolarHBondContact O-CG 3.28Å; K633-L637 PolarHBondContact O-N 2.95Å; K633-L637 VanDerWaalsContact O-N 3.16Å |
| 634 | I | 59.6 | Low | 50.6 | Low | 53.3333 Ų | 53.3333 | 105.1 Ų | 105.1 | 27% | 0.274 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.3 | -46.5 | 171.3 | -68.1 | 163.8 | 0 | 0 | 0 | 109.4 | T625 S630 L631 E636 L637 E638 | T625-I634 HydrophobicContact CG2-CD1 4.36Å; T625-I634 WeakPolarHBondContact O-CD1 3.44Å; S630-I634 WeakPolarHBondContact O-CB 3.07Å; S630-I634 WeakPolarHBondContact O-CD1 3.41Å; S630-I634 VanDerWaalsContact O-CG1 3.3Å; S630-I634 WeakPolarHBondContact O-CG1 3.31Å; S630-I634 PolarHBondContact O-N 3.09Å; S630-I634 VanDerWaalsContact O-N 3.14Å; L631-I634 PolarHBondContact O-N 3.25Å; I634-E636 VanDerWaalsContact C-N 3.33Å; I634-E636 PolarHBondContact O-N 3.16Å; I634-L637 CarbonylContact O-C 3.5Å; I634-L637 WeakPolarHBondContact O-CA 3.33Å; I634-L637 PolarHBondContact O-N 2.92Å; I634-L637 VanDerWaalsContact O-N 3.11Å; I634-E638 HydrophobicContact CG2-CG 4.05Å; I634-E638 WeakPolarHBondContact CG2-OE1 3.29Å; I634-E638 WeakPolarHBondContact CG2-OE2 3.22Å; I634-E638 WeakPolarHBondContact O-CA 3.35Å; I634-E638 VanDerWaalsContact O-CB 3.31Å; I634-E638 WeakPolarHBondContact O-CB 3.38Å; I634-E638 VanDerWaalsContact O-CG 3.26Å; I634-E638 WeakPolarHBondContact O-CG 3.33Å; I634-E638 PolarHBondContact O-N 2.86Å |
| 635 | I | 62.7 | Low | 50.3 | Low | 97 Ų | 97 | 108.5 Ų | 108.5 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.9 | -39.1 | 174.3 | -69.2 | 164.1 | 0 | 0 | 0 | 111.4 | L631 K632 L637 E638 T639 | L631-I635 WeakPolarHBondContact O-CB 3.33Å; L631-I635 WeakPolarHBondContact O-CD1 3.32Å; L631-I635 WeakPolarHBondContact O-CG1 3.4Å; L631-I635 PolarHBondContact O-N 2.71Å; K632-I635 CarbonylContact O-C 3.57Å; K632-I635 PolarHBondContact O-N 2.95Å; I635-L637 VanDerWaalsContact C-N 3.29Å; I635-L637 PolarHBondContact O-N 2.79Å; I635-E638 PolarHBondContact O-N 3.1Å; I635-T639 HydrophobicContact CG2-CG2 4.12Å; I635-T639 WeakPolarHBondContact O-CA 3.43Å; I635-T639 WeakPolarHBondContact O-CB 3.26Å; I635-T639 VanDerWaalsContact O-CG2 3.28Å; I635-T639 WeakPolarHBondContact O-CG2 3.35Å; I635-T639 PolarHBondContact O-N 3.05Å; I635-T639 PolarHBondContact O-OG1 2.97Å |
| 636 | E | 63.3 | Low | 50.1 | Low | 138.667 Ų | 138.667 | 107.9 Ų | 107.9 | 65% | 0.648 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.3 | -27.5 | 174.1 | -80.4 | 175.6 | 167 | 0 | 0 | 113.1 | K632 K633 I634 T639 | K632-E636 VanDerWaalsContact O-CB 3.24Å; K632-E636 WeakPolarHBondContact O-CB 3.38Å; K632-E636 VanDerWaalsContact O-CG 3.31Å; K632-E636 WeakPolarHBondContact O-CG 3.39Å; K632-E636 PolarHBondContact O-N 3.2Å; K633-E636 PolarHBondContact O-N 2.86Å; I634-E636 VanDerWaalsContact C-N 3.33Å; I634-E636 PolarHBondContact O-N 3.16Å; E636-T639 WeakPolarHBondContact CA-OG1 3.37Å; E636-T639 PolarHBondContact O-OG1 3.09Å |
| 637 | L | 54 | Low | 49.7 | Very low | 145 Ų | 145 | 108.8 Ų | 108.8 | 76% | 0.759 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -90.1 | -27 | 177.3 | -70.9 | 167.1 | 0 | 0 | 0 | 113 | K633 I634 I635 | K633-L637 WeakPolarHBondContact O-CB 3.26Å; K633-L637 VanDerWaalsContact O-CD1 3.25Å; K633-L637 WeakPolarHBondContact O-CD1 3.42Å; K633-L637 VanDerWaalsContact O-CG 3.23Å; K633-L637 WeakPolarHBondContact O-CG 3.28Å; K633-L637 PolarHBondContact O-N 2.95Å; K633-L637 VanDerWaalsContact O-N 3.16Å; I634-L637 CarbonylContact O-C 3.5Å; I634-L637 WeakPolarHBondContact O-CA 3.33Å; I634-L637 PolarHBondContact O-N 2.92Å; I634-L637 VanDerWaalsContact O-N 3.11Å; I635-L637 VanDerWaalsContact C-N 3.29Å; I635-L637 PolarHBondContact O-N 2.79Å |
| 638 | E | 54.2 | Low | 49.4 | Very low | 146 Ų | 146 | 113.1 Ų | 113.1 | 68% | 0.682 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -94.9 | -18.3 | 179.7 | -70.6 | -179.2 | 166.1 | 0 | 0 | 113 | I634 I635 P640 | I634-E638 HydrophobicContact CG2-CG 4.05Å; I634-E638 WeakPolarHBondContact CG2-OE1 3.29Å; I634-E638 WeakPolarHBondContact CG2-OE2 3.22Å; I634-E638 WeakPolarHBondContact O-CA 3.35Å; I634-E638 VanDerWaalsContact O-CB 3.31Å; I634-E638 WeakPolarHBondContact O-CB 3.38Å; I634-E638 VanDerWaalsContact O-CG 3.26Å; I634-E638 WeakPolarHBondContact O-CG 3.33Å; I634-E638 PolarHBondContact O-N 2.86Å; I635-E638 PolarHBondContact O-N 3.1Å; E638-P640 WeakPolarHBondContact O-CD 3.24Å; E638-P640 VanDerWaalsContact O-N 3.17Å |
| 639 | T | 45.5 | Very low | 49.2 | Very low | 75 Ų | 75 | 115.7 Ų | 115.7 | 46% | 0.46 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -64.3 | 120.1 | 167 | 37.6 | 0 | 0 | 0 | 0 | 108.8 | I635 E636 V641 | I635-T639 HydrophobicContact CG2-CG2 4.12Å; I635-T639 WeakPolarHBondContact O-CA 3.43Å; I635-T639 WeakPolarHBondContact O-CB 3.26Å; I635-T639 VanDerWaalsContact O-CG2 3.28Å; I635-T639 WeakPolarHBondContact O-CG2 3.35Å; I635-T639 PolarHBondContact O-N 3.05Å; I635-T639 PolarHBondContact O-OG1 2.97Å; E636-T639 WeakPolarHBondContact CA-OG1 3.37Å; E636-T639 PolarHBondContact O-OG1 3.09Å; T639-V641 PolarHBondContact O-N 2.86Å; T639-V641 VanDerWaalsContact O-N 3.1Å |
| 640 | P | 41 | Very low | 48.9 | Very low | 119.333 Ų | 119.333 | 118.8 Ų | 118.8 | 78% | 0.775 | 63% | 0.633 | S | S | * | * | trans | -63.9 | 108.2 | 176.5 | -0.1 | 7.2 | 0 | 0 | 0 | 108.1 | E638 P642 | E638-P640 WeakPolarHBondContact O-CD 3.24Å; E638-P640 VanDerWaalsContact O-N 3.17Å; P640-P642 WeakPolarHBondContact O-CD 3.42Å; P640-P642 VanDerWaalsContact O-N 3.12Å | ||
| 641 | V | 44.6 | Very low | 49.6 | Very low | 117.333 Ų | 117.333 | 120.3 Ų | 120.3 | 71% | 0.711 | 64% | 0.636 | S | S | * | * | trans | -55.9 | 120.7 | 167.6 | 179.4 | 0 | 0 | 0 | 0 | 106.1 | T639 K643 | T639-V641 PolarHBondContact O-N 2.86Å; T639-V641 VanDerWaalsContact O-N 3.1Å; V641-K643 PolarHBondContact O-N 2.98Å; V641-K643 VanDerWaalsContact O-N 3.13Å | ||
| 642 | P | 41.4 | Very low | 50.3 | Low | 116 Ų | 116 | 121.7 Ų | 121.7 | 75% | 0.753 | 65% | 0.647 | S | S | * | * | trans | -63.3 | 104 | 176.1 | -9.3 | 20.8 | 0 | 0 | 0 | 107.4 | P640 P644 | P640-P642 WeakPolarHBondContact O-CD 3.42Å; P640-P642 VanDerWaalsContact O-N 3.12Å; P642-P644 VanDerWaalsContact O-CD 3.28Å; P642-P644 WeakPolarHBondContact O-CD 3.19Å; P642-P644 VanDerWaalsContact O-N 3.17Å | ||
| 643 | K | 37.7 | Very low | 50.9 | Low | 160.667 Ų | 160.667 | 120.6 Ų | 120.6 | 70% | 0.699 | 64% | 0.644 | S | S | * | * | trans | -63.4 | 128.1 | 170.4 | -81.7 | -171.1 | 173.8 | -171.4 | 0 | 106.4 | V641 E645 E649 | V641-K643 PolarHBondContact O-N 2.98Å; V641-K643 VanDerWaalsContact O-N 3.13Å; K643-E645 PolarHBondContact O-N 3.07Å; K643-E649 WeakPolarHBondContact CE-OE1 3.33Å; K643-E649 IonicContact NZ-OE1 3.26Å; K643-E649 PolarHBondContact NZ-OE1 2.95Å | ||
| 644 | P | 43.4 | Very low | 52.3 | Low | 109.333 Ų | 109.333 | 117 Ų | 117 | 71% | 0.71 | 63% | 0.634 | S | S | * | * | trans | -60.4 | 110.6 | 174 | 24 | -31 | 0 | 0 | 0 | 108.6 | P642 G646 V647 | P642-P644 VanDerWaalsContact O-CD 3.28Å; P642-P644 WeakPolarHBondContact O-CD 3.19Å; P642-P644 VanDerWaalsContact O-N 3.17Å; P644-G646 PolarHBondContact O-N 3.33Å; P644-V647 HydrophobicContact CG-CG2 4.14Å | ||
| 645 | E | 34.3 | Very low | 53.7 | Low | 195.667 Ų | 195.667 | 114.8 Ų | 114.8 | 91% | 0.914 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 121.7 | 170.8 | -70.4 | -178.9 | 150.9 | 0 | 0 | 108.8 | K643 | K643-E645 PolarHBondContact O-N 3.07Š|
| 646 | G | 41.8 | Very low | 55 | Low | 78.6667 Ų | 78.6667 | 114.7 Ų | 114.7 | 81% | 0.811 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 111.8 | 20.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | P644 | P644-G646 PolarHBondContact O-N 3.33Š|
| 647 | V | 38.4 | Very low | 56.3 | Low | 119.667 Ų | 119.667 | 109.7 Ų | 109.7 | 73% | 0.725 | 60% | 0.595 | S | S | * | * | trans | -118.2 | 102.3 | 162.8 | -168.7 | 0 | 0 | 0 | 0 | 109.4 | P644 E649 | P644-V647 HydrophobicContact CG-CG2 4.14Å; V647-E649 PolarHBondContact O-N 3.32Å; V647-E649 VanDerWaalsContact O-N 3.13Å | ||
| 648 | E | 40.3 | Very low | 57.6 | Low | 171.333 Ų | 171.333 | 107.7 Ų | 107.7 | 80% | 0.801 | 58% | 0.583 | S | S | * | * | trans | -63.3 | 121.9 | 167.7 | -68.6 | 177.1 | 161.8 | 0 | 0 | 108.9 | Q650 | E648-Q650 PolarHBondContact O-N 2.99Š| ||
| 649 | E | 46.6 | Very low | 58.6 | Low | 136.333 Ų | 136.333 | 102.7 Ų | 102.7 | 64% | 0.637 | 57% | 0.571 | S | S | * | * | trans | -65.9 | 102.1 | 170.6 | -80.7 | -176.5 | 178.3 | 0 | 0 | 108.4 | K643 V647 F651 | K643-E649 WeakPolarHBondContact CE-OE1 3.33Å; K643-E649 IonicContact NZ-OE1 3.26Å; K643-E649 PolarHBondContact NZ-OE1 2.95Å; V647-E649 PolarHBondContact O-N 3.32Å; V647-E649 VanDerWaalsContact O-N 3.13Å; E649-F651 VanDerWaalsContact C-N 3.29Å; E649-F651 HydrophobicContact CB-CE2 4.14Å; E649-F651 HydrophobicContact CB-CZ 4.42Å; E649-F651 WeakPolarHBondContact O-CD2 3.42Å; E649-F651 WeakPolarHBondContact O-CE2 3.18Å; E649-F651 PolarHBondContact O-N 3.2Å | ||
| 650 | Q | 50.4 | Low | 60 | Low | 159.333 Ų | 159.333 | 106.5 Ų | 106.5 | 75% | 0.745 | 59% | 0.588 | S | S | * | * | trans | -73.5 | 98.4 | 175.4 | -72.4 | -176.9 | -10.7 | 0 | 0 | 109.3 | E648 T652 | E648-Q650 PolarHBondContact O-N 2.99Å; Q650-T652 HydrophobicContact CB-CG2 4.27Å; Q650-T652 WeakPolarHBondContact O-CG2 3.36Å; Q650-T652 PolarHBondContact O-N 3.2Å; Q650-T652 PolarHBondContact O-OG1 2.79Å | ||
| 651 | F | 61.9 | Low | 61.7 | Low | 58.6667 Ų | 58.6667 | 102 Ų | 102 | 26% | 0.257 | 56% | 0.557 | S | S | . | * | trans | -61.6 | 112.2 | 162.5 | -61.7 | -84.2 | 0 | 0 | 0 | 107.5 | E649 P682 N684 D685 P686 N737 | E649-F651 VanDerWaalsContact C-N 3.29Å; E649-F651 HydrophobicContact CB-CE2 4.14Å; E649-F651 HydrophobicContact CB-CZ 4.42Å; E649-F651 WeakPolarHBondContact O-CD2 3.42Å; E649-F651 WeakPolarHBondContact O-CE2 3.18Å; E649-F651 PolarHBondContact O-N 3.2Å; F651-P682 HydrophobicContact CD1-CB 4.09Å; F651-P682 HydrophobicContact CD1-CG 4.15Å; F651-P682 HydrophobicContact CE1-CB 4.34Å; F651-N684 HydrophobicContact CE1-CB 4.46Å; F651-N684 HydrophobicContact CZ-CB 4.43Å; F651-N684 WeakPolarHBondContact CZ-O 3.39Å; F651-D685 HydrophobicContact CB-CB 4.4Å; F651-D685 HydrophobicContact CD1-CB 3.84Å; F651-D685 HydrophobicContact CD2-CB 4.25Å; F651-D685 HydrophobicContact CE1-CB 4.17Å; F651-D685 HydrophobicContact CE2-CB 4.44Å; F651-D685 HydrophobicContact CG-CB 3.96Å; F651-D685 HydrophobicContact CZ-CB 4.42Å; F651-P686 VanDerWaalsContact CE2-CD 3.45Å; F651-P686 HydrophobicContact CE2-CG 4.32Å; F651-N737 PolarHBondContact O-ND2 2.92Å | ||
| 652 | T | 71.1 | Confident | 62.8 | Low | 100.667 Ų | 100.667 | 100.3 Ų | 100.3 | 62% | 0.618 | 55% | 0.55 | S | S | * | * | trans | -111.9 | -6.2 | -174.8 | 45.4 | 0 | 0 | 0 | 0 | 113.3 | Q650 | Q650-T652 HydrophobicContact CB-CG2 4.27Å; Q650-T652 WeakPolarHBondContact O-CG2 3.36Å; Q650-T652 PolarHBondContact O-N 3.2Å; Q650-T652 PolarHBondContact O-OG1 2.79Å | ||
| 653 | E | 77.8 | Confident | 64.1 | Low | 104.333 Ų | 104.333 | 100.3 Ų | 100.3 | 49% | 0.488 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -98.6 | 142.1 | -179.4 | -60.8 | -157.1 | 174.3 | 0 | 0 | 111.7 | K656 N735 N737 | E653-K656 IonicContact OE1-NZ 3.78Å; E653-K656 IonicContact OE2-NZ 3.21Å; E653-K656 PolarHBondContact OE2-NZ 2.89Å; E653-N735 PolarHBondContact O-ND2 2.78Å; E653-N737 PolarHBondContact O-ND2 3.06Å |
| 654 | P | 87.8 | Confident | 65.8 | Low | 55.3333 Ų | 55.3333 | 95.4 Ų | 95.4 | 36% | 0.359 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 159.7 | 168.8 | 31.8 | -35.5 | 0 | 0 | 0 | 110.8 | N737 | P654-N737 HydrophobicContact CB-CB 4.49Š|
| 655 | P | 90.4 | Very high | 67.3 | Low | 5.66667 Ų | 5.66667 | 93.4 Ų | 93.4 | 4% | 0.037 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 145.4 | 178.5 | 8.7 | -11.7 | 0 | 0 | 0 | 112.1 | V680 E681 M688 A733 N735 G738 A740 | P655-V680 HydrophobicContact CB-CG1 4.19Å; P655-E681 CarbonylContact C-O 3.53Å; P655-E681 VanDerWaalsContact CA-O 3.28Å; P655-E681 WeakPolarHBondContact CA-O 3.3Å; P655-M688 HydrophobicContact CB-CE 3.9Å; P655-M688 HydrophobicContact CB-SD 3.82Å; P655-M688 HydrophobicContact CG-CE 3.95Å; P655-M688 HydrophobicContact CG-SD 4.19Å; P655-A733 HydrophobicContact CB-CB 3.78Å; P655-A733 HydrophobicContact CG-CB 4.25Å; P655-A733 WeakPolarHBondContact CG-O 3.39Å; P655-N735 VanDerWaalsContact CD-OD1 3.26Å; P655-N735 WeakPolarHBondContact CD-OD1 3.37Å; P655-N735 HydrophobicContact CG-CB 4.19Å; P655-G738 WeakPolarHBondContact CD-O 3.19Å; P655-A740 HydrophobicContact CB-CB 4.26Å; P655-A740 HydrophobicContact CG-CB 4.16Å; P655-A740 VanDerWaalsContact O-CB 3.24Å; P655-A740 WeakPolarHBondContact O-CB 3.2Å |
| 656 | K | 89.2 | Confident | 69.5 | Low | 95.3333 Ų | 95.3333 | 88.2 Ų | 88.2 | 41% | 0.414 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 127.8 | 176.2 | -66 | 171.5 | -172.7 | 160.1 | 0 | 109.7 | E653 V680 E681 | E653-K656 IonicContact OE1-NZ 3.78Å; E653-K656 IonicContact OE2-NZ 3.21Å; E653-K656 PolarHBondContact OE2-NZ 2.89Å; K656-V680 WeakPolarHBondContact O-CA 3.42Å; K656-E681 PolarHBondContact N-O 2.86Å; K656-E681 PolarHBondContact O-N 3.26Å |
| 657 | F | 90.7 | Very high | 71.6 | Confident | 33.6667 Ų | 33.6667 | 89 Ų | 89 | 15% | 0.148 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 127.4 | 171 | -70.6 | -74.2 | 0 | 0 | 0 | 109.9 | G659 C678 P679 V680 A714 C731 A733 A740 I742 | F657-G659 VanDerWaalsContact C-N 3.27Å; F657-G659 PolarHBondContact O-N 2.9Å; F657-C678 HydrophobicContact CD1-CB 4.15Å; F657-P679 CarbonylContact C-O 3.51Å; F657-P679 WeakPolarHBondContact CA-O 3.24Å; F657-V680 HydrophobicContact CD1-CG2 3.71Å; F657-V680 HydrophobicContact CE1-CG2 3.48Å; F657-V680 VanDerWaalsContact CE1-CG2 3.46Å; F657-V680 HydrophobicContact CZ-CG2 4.43Å; F657-A714 HydrophobicContact CE1-CB 4.47Å; F657-C731 HydrophobicContact CZ-CB 4.38Å; F657-C731 VanDerWaalsContact CZ-SG 3.57Å; F657-A733 HydrophobicContact CE1-CB 4.4Å; F657-A733 HydrophobicContact CE2-CB 4.22Å; F657-A733 HydrophobicContact CZ-CB 3.73Å; F657-A740 HydrophobicContact CD2-CB 3.94Å; F657-A740 HydrophobicContact CE2-CB 3.86Å; F657-A740 WeakPolarHBondContact CE2-O 3.32Å; F657-I742 HydrophobicContact CB-CD1 4.09Å; F657-I742 HydrophobicContact CD1-CB 4.48Å; F657-I742 HydrophobicContact CD1-CG2 3.75Å; F657-I742 HydrophobicContact CD2-CB 3.77Å; F657-I742 HydrophobicContact CD2-CG2 3.71Å; F657-I742 HydrophobicContact CE1-CG2 3.66Å; F657-I742 HydrophobicContact CE2-CB 4.03Å; F657-I742 HydrophobicContact CE2-CG2 3.62Å; F657-I742 HydrophobicContact CG-CB 4.03Å; F657-I742 HydrophobicContact CG-CD1 4.24Å; F657-I742 HydrophobicContact CG-CG2 3.78Å; F657-I742 HydrophobicContact CZ-CB 4.48Å; F657-I742 HydrophobicContact CZ-CG2 3.61Å |
| 658 | M | 81.7 | Confident | 73.8 | Confident | 103 Ų | 103 | 84.2 Ų | 84.2 | 51% | 0.507 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -95.8 | 65 | -178.4 | -66.6 | -65.8 | -80.6 | 0 | 0 | 109.9 | P679 E681 | M658-P679 HydrophobicContact CB-CB 4.1Å; M658-P679 HydrophobicContact CB-CG 4.11Å; M658-P679 PolarHBondContact N-O 3.12Å; M658-P679 WeakPolarHBondContact O-CD 3.27Å; M658-E681 HydrophobicContact CG-CB 4.43Å; M658-E681 HydrophobicContact CG-CG 3.93Å |
| 659 | G | 75.2 | Confident | 75.9 | Confident | 40.3333 Ų | 40.3333 | 80 Ų | 80 | 42% | 0.416 | 44% | 0.442 | S | S | . | . | S | Bend | trans | 146.1 | 157.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | F657 C678 I742 | F657-G659 VanDerWaalsContact C-N 3.27Å; F657-G659 PolarHBondContact O-N 2.9Å; G659-C678 PolarHBondContact O-SG 3.18Å; G659-I742 VanDerWaalsContact O-CD1 3.27Å; G659-I742 WeakPolarHBondContact O-CD1 3.32Å |
| 660 | D | 73.5 | Confident | 77.4 | Confident | 155.667 Ų | 155.667 | 78 Ų | 78 | 83% | 0.832 | 43% | 0.433 | S | S | * | . | trans | -110.3 | 139.9 | 174.3 | -81.4 | -43.2 | 0 | 0 | 0 | 109.8 | ||||
| 661 | F | 77.4 | Confident | 78.7 | Confident | 24.6667 Ų | 24.6667 | 72.2 Ų | 72.2 | 11% | 0.108 | 42% | 0.416 | C | S | . | . | trans | -69.1 | 142.6 | 163.7 | -66.3 | -30.4 | 0 | 0 | 0 | 108.9 | S663 I676 D677 C678 W692 C731 I742 S743 A744 | F661-S663 PolarHBondContact O-N 3.08Å; F661-S663 VanDerWaalsContact O-N 3.16Å; F661-I676 HydrophobicContact CD1-CB 4.34Å; F661-I676 HydrophobicContact CD2-CD1 4.4Å; F661-I676 HydrophobicContact CE1-CB 4.01Å; F661-I676 HydrophobicContact CE2-CD1 4.03Å; F661-I676 HydrophobicContact CZ-CB 4.27Å; F661-I676 HydrophobicContact CZ-CD1 4.14Å; F661-I676 HydrophobicContact CZ-CG1 4.39Å; F661-D677 WeakPolarHBondContact CE1-O 3.49Å; F661-C678 HydrophobicContact CE1-CB 3.72Å; F661-C678 HydrophobicContact CZ-CB 3.96Å; F661-W692 AromaticContact CE2-CH2 3.83Å; F661-W692 HydrophobicContact CE2-CH2 3.9Å; F661-W692 HydrophobicContact CE2-CZ3 4.17Å; F661-W692 AromaticContact CZ-CH2 3.76Å; F661-W692 HydrophobicContact CZ-CH2 3.76Å; F661-W692 HydrophobicContact CZ-CZ3 4.41Å; F661-C731 HydrophobicContact CE2-CB 4.35Å; F661-I742 HydrophobicContact CB-CD1 4.42Å; F661-I742 HydrophobicContact CB-CG1 4.31Å; F661-I742 HydrophobicContact CD1-CD1 4.14Å; F661-I742 HydrophobicContact CD2-CB 4.32Å; F661-I742 HydrophobicContact CD2-CD1 3.94Å; F661-I742 HydrophobicContact CD2-CG1 3.64Å; F661-I742 HydrophobicContact CD2-CG2 4.05Å; F661-I742 HydrophobicContact CE1-CD1 4.4Å; F661-I742 HydrophobicContact CE2-CB 4.38Å; F661-I742 HydrophobicContact CE2-CD1 4.22Å; F661-I742 HydrophobicContact CE2-CG1 4.1Å; F661-I742 HydrophobicContact CE2-CG2 3.62Å; F661-I742 HydrophobicContact CG-CD1 3.89Å; F661-I742 HydrophobicContact CG-CG1 3.96Å; F661-I742 HydrophobicContact CZ-CD1 4.43Å; F661-I742 HydrophobicContact CZ-CG2 4.18Å; F661-S743 WeakPolarHBondContact CB-O 3.34Å; F661-A744 HydrophobicContact CB-CB 3.91Å; F661-A744 HydrophobicContact CD2-CB 3.77Å; F661-A744 HydrophobicContact CG-CB 3.98Å | ||
| 662 | S | 68.3 | Low | 79.7 | Confident | 83 Ų | 83 | 72.2 Ų | 72.2 | 58% | 0.58 | 42% | 0.419 | S | S | * | . | trans | -55.6 | 123.8 | 176.3 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | A664 P745 | S662-A664 PolarHBondContact O-N 2.96Å; S662-A664 PolarHBondContact OG-N 3.3Å; S662-A664 PolarHBondContact OG-O 2.83Å; S662-A664 VanDerWaalsContact OG-O 3.09Å; S662-P745 WeakPolarHBondContact O-CD 3.35Å | ||
| 663 | S | 68 | Low | 80.4 | Confident | 116 Ų | 116 | 70.8 Ų | 70.8 | 81% | 0.811 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -71.4 | -14.2 | 175.7 | 59.1 | 0 | 0 | 0 | 0 | 113.3 | F661 P745 | F661-S663 PolarHBondContact O-N 3.08Å; F661-S663 VanDerWaalsContact O-N 3.16Å; S663-P745 WeakPolarHBondContact O-CG 3.45Å |
| 664 | A | 72.4 | Confident | 80.9 | Confident | 56.3333 Ų | 56.3333 | 65.9 Ų | 65.9 | 47% | 0.466 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -79.5 | 135.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | S662 K666 | S662-A664 PolarHBondContact O-N 2.96Å; S662-A664 PolarHBondContact OG-N 3.3Å; S662-A664 PolarHBondContact OG-O 2.83Å; S662-A664 VanDerWaalsContact OG-O 3.09Å; A664-K666 PolarHBondContact O-N 2.91Å |
| 665 | P | 76.6 | Confident | 81 | Confident | 68 Ų | 68 | 68.3 Ų | 68.3 | 44% | 0.442 | 39% | 0.393 | S | S | . | . | trans | -58.8 | 126.1 | 178.6 | 23.5 | -32 | 0 | 0 | 0 | 110.8 | L667 P745 Q747 | P665-L667 PolarHBondContact O-N 2.85Å; P665-P745 WeakPolarHBondContact CA-O 3.4Å; P665-P745 HydrophobicContact CB-CB 4.24Å; P665-P745 HydrophobicContact CB-CG 4.47Å; P665-Q747 HydrophobicContact CB-CB 4.15Å | ||
| 666 | K | 80.5 | Confident | 81 | Confident | 87 Ų | 87 | 68.8 Ų | 68.8 | 38% | 0.378 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 108.4 | 171.3 | -171.4 | 160.9 | 169.4 | -176.9 | 0 | 107.3 | A664 L668 F674 Q675 P745 Q747 | A664-K666 PolarHBondContact O-N 2.91Å; K666-L668 HydrophobicContact CG-CD2 4.37Å; K666-L668 HydrophobicContact CG-CG 4.31Å; K666-F674 HydrophobicContact CB-CD2 4.23Å; K666-F674 HydrophobicContact CB-CE2 3.96Å; K666-F674 HydrophobicContact CD-CD2 3.71Å; K666-F674 HydrophobicContact CD-CE2 3.76Å; K666-F674 HydrophobicContact CG-CD2 4.22Å; K666-F674 HydrophobicContact CG-CE2 4.27Å; K666-Q675 PolarHBondContact NZ-O 2.97Å; K666-P745 PolarHBondContact N-O 3.04Å; K666-Q747 PolarHBondContact O-N 3.27Å; K666-Q747 VanDerWaalsContact O-N 3.16Å |
| 667 | L | 85 | Confident | 81 | Confident | 94 Ų | 94 | 68.7 Ų | 68.7 | 49% | 0.492 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 119.1 | -179.5 | -163.7 | 74.4 | 0 | 0 | 0 | 108.7 | P665 Q747 Q749 | P665-L667 PolarHBondContact O-N 2.85Å; L667-Q747 CarbonylContact C-O 3.52Å; L667-Q747 VanDerWaalsContact CA-O 3.31Å; L667-Q747 WeakPolarHBondContact CA-O 3.31Å; L667-Q747 HydrophobicContact CD1-CB 4.14Å; L667-Q747 HydrophobicContact CD1-CG 3.91Å; L667-Q749 HydrophobicContact CD1-CG 3.93Å; L667-Q749 HydrophobicContact CG-CG 4.22Å |
| 668 | L | 85.5 | Confident | 80.8 | Confident | 19.6667 Ų | 19.6667 | 67.3 Ų | 67.3 | 10% | 0.103 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 157.7 | -179.8 | -68.5 | -175.1 | 0 | 0 | 0 | 110.1 | K666 D672 F674 V721 L746 Q747 C748 Q749 | K666-L668 HydrophobicContact CG-CD2 4.37Å; K666-L668 HydrophobicContact CG-CG 4.31Å; L668-D672 HydrophobicContact CB-CB 3.99Å; L668-D672 HydrophobicContact CD1-CB 4.27Å; L668-D672 HydrophobicContact CD2-CB 4.07Å; L668-D672 HydrophobicContact CG-CB 4.34Å; L668-F674 HydrophobicContact CD1-CB 3.64Å; L668-F674 HydrophobicContact CD1-CD2 4.1Å; L668-F674 HydrophobicContact CD1-CG 4.36Å; L668-V721 HydrophobicContact CD1-CG2 4.12Å; L668-L746 HydrophobicContact CB-CD1 4.36Å; L668-L746 HydrophobicContact CD1-CD1 3.7Å; L668-L746 HydrophobicContact CG-CD1 4.07Å; L668-Q747 PolarHBondContact N-O 2.97Å; L668-C748 CarbonylContact O-C 3.52Å; L668-C748 VanDerWaalsContact O-CA 3.26Å; L668-C748 WeakPolarHBondContact O-CA 3.37Å; L668-Q749 PolarHBondContact O-N 2.81Å |
| 669 | N | 83.2 | Confident | 81.2 | Confident | 83.3333 Ų | 83.3333 | 64.3 Ų | 64.3 | 45% | 0.446 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 160.9 | 169.8 | -58.7 | -60.1 | 0 | 0 | 0 | 110.4 | G671 D672 | N669-G671 PolarHBondContact O-N 3.06Å; N669-D672 PolarHBondContact N-OD2 3.2Å; N669-D672 PolarHBondContact ND2-OD2 3.41Å; N669-D672 VanDerWaalsContact ND2-OD2 3.14Å; N669-D672 WeakPolarHBondContact O-CB 3.28Å; N669-D672 PolarHBondContact O-N 3.25Å; N669-D672 VanDerWaalsContact O-N 3.1Å |
| 670 | E | 79.4 | Confident | 82 | Confident | 93.6667 Ų | 93.6667 | 62.4 Ų | 62.4 | 44% | 0.438 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 122.9 | 172 | -173.5 | 170.5 | -176.2 | 0 | 0 | 111.1 | V721 Y722 Q749 G750 G751 | E670-V721 CarbonylContact C-O 3.4Å; E670-V721 VanDerWaalsContact CA-O 3.25Å; E670-V721 WeakPolarHBondContact CA-O 3.42Å; E670-Y722 HydrophobicContact CG-CD1 4.26Å; E670-Q749 PolarHBondContact N-O 3.03Å; E670-G750 WeakPolarHBondContact OE2-CA 3.44Å; E670-G751 PolarHBondContact OE2-N 2.85Å |
| 671 | G | 76.3 | Confident | 82.6 | Confident | 38 Ų | 38 | 59.7 Ų | 59.7 | 39% | 0.392 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.8 | -8.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | N669 V721 | N669-G671 PolarHBondContact O-N 3.06Å; G671-V721 PolarHBondContact N-O 2.9Å |
| 672 | D | 83 | Confident | 83 | Confident | 59.3333 Ų | 59.3333 | 60 Ų | 60 | 32% | 0.317 | 35% | 0.349 | S | S | . | . | trans | -69.1 | 163.9 | 173.3 | -74.5 | -19.8 | 0 | 0 | 0 | 111.6 | L668 N669 V721 | L668-D672 HydrophobicContact CB-CB 3.99Å; L668-D672 HydrophobicContact CD1-CB 4.27Å; L668-D672 HydrophobicContact CD2-CB 4.07Å; L668-D672 HydrophobicContact CG-CB 4.34Å; N669-D672 PolarHBondContact N-OD2 3.2Å; N669-D672 PolarHBondContact ND2-OD2 3.41Å; N669-D672 VanDerWaalsContact ND2-OD2 3.14Å; N669-D672 WeakPolarHBondContact O-CB 3.28Å; N669-D672 PolarHBondContact O-N 3.25Å; N669-D672 VanDerWaalsContact O-N 3.1Å; D672-V721 VanDerWaalsContact O-CB 3.22Å; D672-V721 WeakPolarHBondContact O-CB 3.4Å; D672-V721 VanDerWaalsContact O-CG2 3.25Å; D672-V721 WeakPolarHBondContact O-CG2 3.34Å; D672-V721 PolarHBondContact O-N 3.13Å | ||
| 673 | T | 85.6 | Confident | 83.4 | Confident | 70.6667 Ų | 70.6667 | 58 Ų | 58 | 43% | 0.434 | 34% | 0.338 | S | S | . | . | trans | -103 | 129 | 175.4 | -62 | 0 | 0 | 0 | 0 | 111.6 | E717 I718 T719 | T673-E717 HydrophobicContact CG2-CG 4.27Å; T673-I718 CarbonylContact C-O 3.55Å; T673-I718 WeakPolarHBondContact CA-O 3.35Å; T673-I718 WeakPolarHBondContact CG2-O 3.31Å; T673-T719 HydrophobicContact CG2-CG2 4.4Å | ||
| 674 | F | 89.1 | Confident | 83.8 | Confident | 1.33333 Ų | 1.33333 | 58.6 Ų | 58.6 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 110 | 175.2 | 176.9 | -103.2 | 0 | 0 | 0 | 111.2 | K666 L668 I676 E717 I718 V721 Y729 A744 L746 | K666-F674 HydrophobicContact CB-CD2 4.23Å; K666-F674 HydrophobicContact CB-CE2 3.96Å; K666-F674 HydrophobicContact CD-CD2 3.71Å; K666-F674 HydrophobicContact CD-CE2 3.76Å; K666-F674 HydrophobicContact CG-CD2 4.22Å; K666-F674 HydrophobicContact CG-CE2 4.27Å; L668-F674 HydrophobicContact CD1-CB 3.64Å; L668-F674 HydrophobicContact CD1-CD2 4.1Å; L668-F674 HydrophobicContact CD1-CG 4.36Å; F674-I676 HydrophobicContact CD1-CG1 4.47Å; F674-I676 HydrophobicContact CE1-CD1 3.68Å; F674-I676 HydrophobicContact CE1-CG1 3.95Å; F674-I676 HydrophobicContact CE1-CG2 4.11Å; F674-I676 HydrophobicContact CE2-CG2 4.02Å; F674-I676 HydrophobicContact CZ-CD1 3.87Å; F674-I676 HydrophobicContact CZ-CG1 4.27Å; F674-I676 HydrophobicContact CZ-CG2 3.65Å; F674-E717 CarbonylContact O-C 3.54Å; F674-E717 WeakPolarHBondContact O-CA 3.44Å; F674-I718 HydrophobicContact CB-CB 4.15Å; F674-I718 HydrophobicContact CB-CD1 4.43Å; F674-I718 HydrophobicContact CB-CG1 4.49Å; F674-I718 HydrophobicContact CD1-CB 4.45Å; F674-I718 HydrophobicContact CD1-CD1 3.59Å; F674-I718 HydrophobicContact CD1-CG1 3.95Å; F674-I718 HydrophobicContact CE1-CD1 4.25Å; F674-I718 HydrophobicContact CG-CD1 4.44Å; F674-I718 PolarHBondContact N-O 2.95Å; F674-I718 PolarHBondContact O-N 3.04Å; F674-V721 HydrophobicContact CB-CG2 3.76Å; F674-Y729 HydrophobicContact CE1-CD2 4.19Å; F674-Y729 HydrophobicContact CE1-CG 4.41Å; F674-A744 HydrophobicContact CZ-CB 4.14Å; F674-L746 HydrophobicContact CB-CD1 4.34Å; F674-L746 HydrophobicContact CB-CD2 4.2Å; F674-L746 HydrophobicContact CD1-CD2 4.17Å; F674-L746 HydrophobicContact CD2-CB 4.38Å; F674-L746 HydrophobicContact CD2-CD1 3.68Å; F674-L746 HydrophobicContact CD2-CD2 4.33Å; F674-L746 HydrophobicContact CD2-CG 4.37Å; F674-L746 HydrophobicContact CE2-CB 4.13Å; F674-L746 HydrophobicContact CE2-CD1 4.13Å; F674-L746 HydrophobicContact CE2-CG 4.46Å; F674-L746 HydrophobicContact CG-CD1 4.1Å; F674-L746 HydrophobicContact CG-CD2 4.01Å; F674-L746 HydrophobicContact CG-CG 4.44Å; F674-L746 HydrophobicContact CZ-CB 4.21Å |
| 675 | Q | 90.2 | Very high | 84.2 | Confident | 104.667 Ų | 104.667 | 56.3 Ų | 56.3 | 49% | 0.489 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 138.9 | 171.8 | -172.7 | 179.5 | -16.7 | 0 | 0 | 111.4 | K666 L716 E717 | K666-Q675 PolarHBondContact NZ-O 2.97Å; Q675-L716 WeakPolarHBondContact CA-O 3.36Å; Q675-E717 HydrophobicContact CG-CB 4.46Å |
| 676 | I | 89.5 | Confident | 84.2 | Confident | 17.6667 Ų | 17.6667 | 57 Ų | 57 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 141.2 | 171.9 | 52.1 | 176.5 | 0 | 0 | 0 | 110.9 | F661 F674 W692 S715 L716 A744 | F661-I676 HydrophobicContact CD1-CB 4.34Å; F661-I676 HydrophobicContact CD2-CD1 4.4Å; F661-I676 HydrophobicContact CE1-CB 4.01Å; F661-I676 HydrophobicContact CE2-CD1 4.03Å; F661-I676 HydrophobicContact CZ-CB 4.27Å; F661-I676 HydrophobicContact CZ-CD1 4.14Å; F661-I676 HydrophobicContact CZ-CG1 4.39Å; F674-I676 HydrophobicContact CD1-CG1 4.47Å; F674-I676 HydrophobicContact CE1-CD1 3.68Å; F674-I676 HydrophobicContact CE1-CG1 3.95Å; F674-I676 HydrophobicContact CE1-CG2 4.11Å; F674-I676 HydrophobicContact CE2-CG2 4.02Å; F674-I676 HydrophobicContact CZ-CD1 3.87Å; F674-I676 HydrophobicContact CZ-CG1 4.27Å; F674-I676 HydrophobicContact CZ-CG2 3.65Å; I676-W692 HydrophobicContact CD1-CH2 3.54Å; I676-W692 VanDerWaalsContact CD1-CH2 3.49Å; I676-W692 HydrophobicContact CD1-CZ3 3.45Å; I676-W692 VanDerWaalsContact CD1-CZ3 3.41Å; I676-W692 HydrophobicContact CG1-CH2 3.81Å; I676-W692 HydrophobicContact CG1-CZ3 4.18Å; I676-S715 CarbonylContact O-C 3.51Å; I676-S715 WeakPolarHBondContact O-CA 3.3Å; I676-S715 WeakPolarHBondContact O-CB 3.46Å; I676-S715 PolarHBondContact O-OG 3.19Å; I676-L716 HydrophobicContact CD1-CB 4.37Å; I676-L716 HydrophobicContact CD1-CD2 4.42Å; I676-L716 HydrophobicContact CG1-CB 3.97Å; I676-L716 PolarHBondContact N-O 3.02Å; I676-L716 PolarHBondContact O-N 3.31Å; I676-A744 HydrophobicContact CD1-CB 3.74Å; I676-A744 HydrophobicContact CG2-CB 4.33Å |
| 677 | D | 89.1 | Confident | 84.2 | Confident | 93.6667 Ų | 93.6667 | 55.3 Ų | 55.3 | 50% | 0.501 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 146.1 | -179.6 | 63.6 | -62.1 | 0 | 0 | 0 | 112 | F661 A714 | F661-D677 WeakPolarHBondContact CE1-O 3.49Å; D677-A714 CarbonylContact C-O 3.57Å; D677-A714 VanDerWaalsContact CA-O 3.32Å; D677-A714 WeakPolarHBondContact CA-O 3.34Å |
| 678 | C | 87.8 | Confident | 84.3 | Confident | 2.66667 Ų | 2.66667 | 51.6 Ų | 51.6 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 132.9 | 178.9 | -169.3 | 0 | 0 | 0 | 0 | 111.8 | F657 G659 F661 A714 I742 | F657-C678 HydrophobicContact CD1-CB 4.15Å; G659-C678 PolarHBondContact O-SG 3.18Å; F661-C678 HydrophobicContact CE1-CB 3.72Å; F661-C678 HydrophobicContact CZ-CB 3.96Å; C678-A714 PolarHBondContact N-O 2.9Å; C678-A714 PolarHBondContact O-N 2.92Å; C678-I742 HydrophobicContact CB-CD1 4.4Å |
| 679 | P | 90.3 | Very high | 84.4 | Confident | 39.6667 Ų | 39.6667 | 53.5 Ų | 53.5 | 26% | 0.258 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 147.2 | 171.9 | 2.3 | 9.4 | 0 | 0 | 0 | 112.2 | F657 M658 G712 F713 | F657-P679 CarbonylContact C-O 3.51Å; F657-P679 WeakPolarHBondContact CA-O 3.24Å; M658-P679 HydrophobicContact CB-CB 4.1Å; M658-P679 HydrophobicContact CB-CG 4.11Å; M658-P679 PolarHBondContact N-O 3.12Å; M658-P679 WeakPolarHBondContact O-CD 3.27Å; P679-G712 CarbonylContact C-O 3.48Å; P679-G712 VanDerWaalsContact CA-O 3.26Å; P679-G712 WeakPolarHBondContact CA-O 3.2Å; P679-F713 HydrophobicContact CB-CD1 4.18Å; P679-F713 HydrophobicContact CB-CE1 3.94Å; P679-F713 HydrophobicContact CB-CE2 4.43Å; P679-F713 HydrophobicContact CB-CZ 4.14Å; P679-F713 HydrophobicContact CG-CD1 4.21Å; P679-F713 HydrophobicContact CG-CE1 3.7Å; P679-F713 HydrophobicContact CG-CZ 4.17Å |
| 680 | V | 90.2 | Very high | 84.7 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 117.6 | -178.4 | -169.9 | 0 | 0 | 0 | 0 | 109.2 | P655 K656 F657 A683 M688 Y709 G712 A714 A733 | P655-V680 HydrophobicContact CB-CG1 4.19Å; K656-V680 WeakPolarHBondContact O-CA 3.42Å; F657-V680 HydrophobicContact CD1-CG2 3.71Å; F657-V680 HydrophobicContact CE1-CG2 3.48Å; F657-V680 VanDerWaalsContact CE1-CG2 3.46Å; F657-V680 HydrophobicContact CZ-CG2 4.43Å; V680-A683 WeakPolarHBondContact O-CA 3.35Å; V680-A683 PolarHBondContact O-N 3.16Å; V680-M688 HydrophobicContact CG1-CE 4.17Å; V680-M688 HydrophobicContact CG1-SD 4.15Å; V680-Y709 HydrophobicContact CB-CE2 4.31Å; V680-Y709 HydrophobicContact CG2-CE2 4.34Å; V680-G712 PolarHBondContact N-O 3.07Å; V680-A714 HydrophobicContact CG2-CB 3.91Å; V680-A733 HydrophobicContact CG1-CB 3.82Å |
| 681 | E | 86.6 | Confident | 85.2 | Confident | 100.333 Ų | 100.333 | 49.2 Ų | 49.2 | 47% | 0.469 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 145 | 170.4 | -74.2 | -169.7 | 170.2 | 0 | 0 | 111.1 | P655 K656 M658 | P655-E681 CarbonylContact C-O 3.53Å; P655-E681 VanDerWaalsContact CA-O 3.28Å; P655-E681 WeakPolarHBondContact CA-O 3.3Å; K656-E681 PolarHBondContact N-O 2.86Å; K656-E681 PolarHBondContact O-N 3.26Å; M658-E681 HydrophobicContact CG-CB 4.43Å; M658-E681 HydrophobicContact CG-CG 3.93Å |
| 682 | P | 86.5 | Confident | 86 | Confident | 30 Ų | 30 | 48 Ų | 48 | 20% | 0.195 | 27% | 0.267 | C | S | . | . | S | Bend | cis | -73.2 | 127.1 | -4.9 | 26.6 | -32.2 | 0 | 0 | 0 | 113.1 | F651 N684 D685 M688 | F651-P682 HydrophobicContact CD1-CB 4.09Å; F651-P682 HydrophobicContact CD1-CG 4.15Å; F651-P682 HydrophobicContact CE1-CB 4.34Å; P682-N684 VanDerWaalsContact C-N 3.25Å; P682-N684 PolarHBondContact O-N 3.11Å; P682-N684 VanDerWaalsContact O-N 3.17Å; P682-D685 HydrophobicContact CB-CB 4.42Å; P682-D685 HydrophobicContact CG-CB 3.85Å; P682-D685 PolarHBondContact O-N 3.25Å; P682-M688 HydrophobicContact CG-CE 4.25Å; P682-M688 WeakPolarHBondContact O-CE 3.39Å |
| 683 | A | 77.5 | Confident | 86.4 | Confident | 41.6667 Ų | 41.6667 | 46.3 Ų | 46.3 | 34% | 0.344 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -20.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V680 Y709 | V680-A683 WeakPolarHBondContact O-CA 3.35Å; V680-A683 PolarHBondContact O-N 3.16Å; A683-Y709 PolarHBondContact O-OH 2.98Å |
| 684 | N | 74.7 | Confident | 86.7 | Confident | 128.667 Ų | 128.667 | 45.4 Ų | 45.4 | 69% | 0.688 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | 9.1 | -172.7 | -66.3 | -20.3 | 0 | 0 | 0 | 113.8 | F651 P682 P686 | F651-N684 HydrophobicContact CE1-CB 4.46Å; F651-N684 HydrophobicContact CZ-CB 4.43Å; F651-N684 WeakPolarHBondContact CZ-O 3.39Å; P682-N684 VanDerWaalsContact C-N 3.25Å; P682-N684 PolarHBondContact O-N 3.11Å; P682-N684 VanDerWaalsContact O-N 3.17Å; N684-P686 VanDerWaalsContact O-CD 3.31Å; N684-P686 WeakPolarHBondContact O-CD 3.22Å |
| 685 | D | 82.5 | Confident | 86.7 | Confident | 7.66667 Ų | 7.66667 | 49.7 Ų | 49.7 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | trans | -72.5 | 117 | -179.6 | -176 | -13.4 | 0 | 0 | 0 | 110.9 | F651 P682 N687 M688 N735 | F651-D685 HydrophobicContact CB-CB 4.4Å; F651-D685 HydrophobicContact CD1-CB 3.84Å; F651-D685 HydrophobicContact CD2-CB 4.25Å; F651-D685 HydrophobicContact CE1-CB 4.17Å; F651-D685 HydrophobicContact CE2-CB 4.44Å; F651-D685 HydrophobicContact CG-CB 3.96Å; F651-D685 HydrophobicContact CZ-CB 4.42Å; P682-D685 HydrophobicContact CB-CB 4.42Å; P682-D685 HydrophobicContact CG-CB 3.85Å; P682-D685 PolarHBondContact O-N 3.25Å; D685-N687 PolarHBondContact O-N 3.15Å; D685-N687 VanDerWaalsContact O-N 3.14Å; D685-N687 VanDerWaalsContact OD1-CB 3.28Å; D685-N687 WeakPolarHBondContact OD1-CB 3.24Å; D685-N687 PolarHBondContact OD1-N 3.34Å; D685-N687 PolarHBondContact OD1-ND2 3.25Å; D685-M688 HydrophobicContact CB-CB 4.39Å; D685-M688 HydrophobicContact CB-CE 4.33Å; D685-M688 VanDerWaalsContact O-CB 3.26Å; D685-M688 WeakPolarHBondContact O-CB 3.34Å; D685-M688 PolarHBondContact O-N 3.02Å; D685-M688 VanDerWaalsContact O-N 3.11Å; D685-N735 VanDerWaalsContact OD2-CB 3.22Å; D685-N735 WeakPolarHBondContact OD2-CB 3.26Å; D685-N735 PolarHBondContact OD2-ND2 3.08Å | ||
| 686 | P | 75.1 | Confident | 86.4 | Confident | 82 Ų | 82 | 47.7 Ų | 47.7 | 53% | 0.532 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18.3 | 179.2 | 14.4 | -17.3 | 0 | 0 | 0 | 114 | F651 N684 M688 | F651-P686 VanDerWaalsContact CE2-CD 3.45Å; F651-P686 HydrophobicContact CE2-CG 4.32Å; N684-P686 VanDerWaalsContact O-CD 3.31Å; N684-P686 WeakPolarHBondContact O-CD 3.22Å; P686-M688 VanDerWaalsContact C-N 3.31Å |
| 687 | N | 81.3 | Confident | 86.2 | Confident | 51.6667 Ų | 51.6667 | 54.2 Ų | 54.2 | 28% | 0.276 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 2.5 | -178.8 | -52.3 | -78.9 | 0 | 0 | 0 | 112.5 | D685 V689 N735 L736 | D685-N687 PolarHBondContact O-N 3.15Å; D685-N687 VanDerWaalsContact O-N 3.14Å; D685-N687 VanDerWaalsContact OD1-CB 3.28Å; D685-N687 WeakPolarHBondContact OD1-CB 3.24Å; D685-N687 PolarHBondContact OD1-N 3.34Å; D685-N687 PolarHBondContact OD1-ND2 3.25Å; N687-V689 PolarHBondContact O-N 3.28Å; N687-N735 HydrophobicContact CB-CB 4.48Å; N687-N735 WeakPolarHBondContact O-CA 3.36Å; N687-L736 HydrophobicContact CB-CD1 4.26Å; N687-L736 HydrophobicContact CB-CD2 4.4Å; N687-L736 HydrophobicContact CB-CG 3.79Å; N687-L736 VanDerWaalsContact CG-CD1 3.49Å; N687-L736 VanDerWaalsContact ND2-CD1 3.33Å; N687-L736 WeakPolarHBondContact ND2-CD1 3.42Å; N687-L736 WeakPolarHBondContact OD1-CD1 3.04Å |
| 688 | M | 86.3 | Confident | 86.1 | Confident | 16.3333 Ų | 16.3333 | 54.3 Ų | 54.3 | 8% | 0.08 | 31% | 0.31 | C | S | . | . | trans | -70 | 121.6 | 179.6 | -166.6 | 67 | 69.6 | 0 | 0 | 110.6 | P655 V680 P682 D685 P686 V690 Y709 A733 R734 N735 | P655-M688 HydrophobicContact CB-CE 3.9Å; P655-M688 HydrophobicContact CB-SD 3.82Å; P655-M688 HydrophobicContact CG-CE 3.95Å; P655-M688 HydrophobicContact CG-SD 4.19Å; V680-M688 HydrophobicContact CG1-CE 4.17Å; V680-M688 HydrophobicContact CG1-SD 4.15Å; P682-M688 HydrophobicContact CG-CE 4.25Å; P682-M688 WeakPolarHBondContact O-CE 3.39Å; D685-M688 HydrophobicContact CB-CB 4.39Å; D685-M688 HydrophobicContact CB-CE 4.33Å; D685-M688 VanDerWaalsContact O-CB 3.26Å; D685-M688 WeakPolarHBondContact O-CB 3.34Å; D685-M688 PolarHBondContact O-N 3.02Å; D685-M688 VanDerWaalsContact O-N 3.11Å; P686-M688 VanDerWaalsContact C-N 3.31Å; M688-V690 HydrophobicContact CG-CG2 4.44Å; M688-Y709 HydrophobicContact CB-CE1 4.26Å; M688-Y709 HydrophobicContact CG-CE1 4.02Å; M688-Y709 HydrophobicContact CG-CE2 4.44Å; M688-Y709 WeakPolarHBondContact CG-OH 3.39Å; M688-A733 HydrophobicContact SD-CB 4.08Å; M688-R734 CarbonylContact C-O 3.55Å; M688-R734 WeakPolarHBondContact CA-O 3.29Å; M688-N735 HydrophobicContact CE-CB 4.3Å; M688-N735 HydrophobicContact SD-CB 4.3Å | ||
| 689 | V | 87.2 | Confident | 86.1 | Confident | 59.3333 Ų | 59.3333 | 55.4 Ų | 55.4 | 36% | 0.36 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 128.3 | 172.8 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | N687 E691 A733 R734 | N687-V689 PolarHBondContact O-N 3.28Å; V689-E691 HydrophobicContact CG1-CG 4.28Å; V689-A733 CarbonylContact O-C 3.54Å; V689-A733 WeakPolarHBondContact O-CA 3.41Å; V689-R734 HydrophobicContact CB-CG 3.73Å; V689-R734 HydrophobicContact CG1-CG 4.35Å; V689-R734 HydrophobicContact CG2-CG 4.45Å; V689-R734 PolarHBondContact N-O 2.87Å; V689-R734 WeakPolarHBondContact O-CG 3.43Å; V689-R734 PolarHBondContact O-N 2.76Å |
| 690 | V | 90.2 | Very high | 85.7 | Confident | 27.6667 Ų | 27.6667 | 59.1 Ų | 59.1 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.7 | 177.3 | 176 | 0 | 0 | 0 | 0 | 109.6 | M688 Y709 A714 C731 R732 A733 | M688-V690 HydrophobicContact CG-CG2 4.44Å; V690-Y709 HydrophobicContact CB-CD1 4.34Å; V690-Y709 HydrophobicContact CB-CD2 4.2Å; V690-Y709 HydrophobicContact CB-CG 3.95Å; V690-Y709 HydrophobicContact CG2-CD1 4.08Å; V690-Y709 HydrophobicContact CG2-CD2 3.47Å; V690-Y709 HydrophobicContact CG2-CE1 4.26Å; V690-Y709 HydrophobicContact CG2-CE2 3.83Å; V690-Y709 HydrophobicContact CG2-CG 3.62Å; V690-A714 HydrophobicContact CG1-CB 3.88Å; V690-A714 HydrophobicContact CG2-CB 4.34Å; V690-C731 VanDerWaalsContact CG1-SG 3.56Å; V690-R732 CarbonylContact C-O 3.51Å; V690-R732 VanDerWaalsContact CA-O 3.31Å; V690-R732 WeakPolarHBondContact CA-O 3.33Å; V690-A733 HydrophobicContact CG2-CB 4.11Å |
| 691 | E | 90.6 | Very high | 85.1 | Confident | 59 Ų | 59 | 62.3 Ų | 62.3 | 28% | 0.276 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 141.5 | -179.1 | -65.3 | 172.2 | 122.1 | 0 | 0 | 109.9 | V689 F693 C731 R732 R734 | V689-E691 HydrophobicContact CG1-CG 4.28Å; E691-F693 HydrophobicContact CB-CE2 3.74Å; E691-F693 HydrophobicContact CB-CZ 4.28Å; E691-C731 CarbonylContact O-C 3.55Å; E691-R732 PolarHBondContact N-O 3.04Å; E691-R732 PolarHBondContact O-N 3.29Å; E691-R732 IonicContact OE1-NH2 3.05Å; E691-R732 PolarHBondContact OE1-NH2 2.79Å; E691-R732 IonicContact OE2-CZ 3.62Å; E691-R732 VanDerWaalsContact OE2-CZ 3.28Å; E691-R732 IonicContact OE2-NE 3.13Å; E691-R732 PolarHBondContact OE2-NE 3.17Å; E691-R732 VanDerWaalsContact OE2-NE 3.1Å; E691-R732 IonicContact OE2-NH2 3.39Å; E691-R732 PolarHBondContact OE2-NH2 2.94Å; E691-R734 IonicContact OE1-CZ 2.77Å; E691-R734 IonicContact OE1-NH1 3.26Å; E691-R734 PolarHBondContact OE1-NH1 3Å; E691-R734 IonicContact OE1-NH2 3.33Å; E691-R734 IonicContact OE2-CZ 3.25Å; E691-R734 IonicContact OE2-NH1 3.69Å; E691-R734 PolarHBondContact OE2-NH1 3.32Å |
| 692 | W | 91.6 | Very high | 84.6 | Confident | 13.3333 Ų | 13.3333 | 59.7 Ų | 59.7 | 5% | 0.051 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 144.9 | 176.1 | -74.9 | 86.7 | 0 | 0 | 0 | 111.2 | F661 I676 L699 P707 S715 L716 T730 C731 | F661-W692 AromaticContact CE2-CH2 3.83Å; F661-W692 HydrophobicContact CE2-CH2 3.9Å; F661-W692 HydrophobicContact CE2-CZ3 4.17Å; F661-W692 AromaticContact CZ-CH2 3.76Å; F661-W692 HydrophobicContact CZ-CH2 3.76Å; F661-W692 HydrophobicContact CZ-CZ3 4.41Å; I676-W692 HydrophobicContact CD1-CH2 3.54Å; I676-W692 VanDerWaalsContact CD1-CH2 3.49Å; I676-W692 HydrophobicContact CD1-CZ3 3.45Å; I676-W692 VanDerWaalsContact CD1-CZ3 3.41Å; I676-W692 HydrophobicContact CG1-CH2 3.81Å; I676-W692 HydrophobicContact CG1-CZ3 4.18Å; W692-L699 HydrophobicContact CB-CB 3.99Å; W692-L699 HydrophobicContact CB-CD2 3.99Å; W692-L699 WeakPolarHBondContact O-CB 3.39Å; W692-L699 PolarHBondContact O-N 2.86Å; W692-P707 HydrophobicContact CB-CB 4.34Å; W692-P707 HydrophobicContact CG-CB 3.91Å; W692-S715 VanDerWaalsContact CZ2-C 3.42Å; W692-S715 PolarHBondContact NE1-O 3.2Å; W692-L716 HydrophobicContact CD2-CB 3.87Å; W692-L716 HydrophobicContact CD2-CD2 4.17Å; W692-L716 HydrophobicContact CD2-CG 4.49Å; W692-L716 HydrophobicContact CE3-CB 3.87Å; W692-L716 HydrophobicContact CE3-CD2 3.63Å; W692-L716 HydrophobicContact CE3-CG 4.34Å; W692-L716 HydrophobicContact CH2-CB 3.54Å; W692-L716 HydrophobicContact CZ2-CB 3.57Å; W692-L716 HydrophobicContact CZ3-CB 3.71Å; W692-L716 HydrophobicContact CZ3-CD2 3.85Å; W692-L716 HydrophobicContact CZ3-CG 4.44Å; W692-T730 CarbonylContact C-O 3.56Å; W692-T730 WeakPolarHBondContact CA-O 3.38Å; W692-C731 HydrophobicContact CD2-CB 3.92Å; W692-C731 HydrophobicContact CE3-CB 3.81Å; W692-C731 HydrophobicContact CH2-CB 3.67Å; W692-C731 HydrophobicContact CZ2-CB 3.73Å; W692-C731 HydrophobicContact CZ3-CB 3.68Å |
| 693 | F | 92 | Very high | 83.5 | Confident | 24.3333 Ų | 24.3333 | 63.8 Ų | 63.8 | 11% | 0.107 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 139.6 | 179.9 | -64.5 | -98.5 | 0 | 0 | 0 | 110.2 | E691 K697 P698 Y729 T730 R732 | E691-F693 HydrophobicContact CB-CE2 3.74Å; E691-F693 HydrophobicContact CB-CZ 4.28Å; F693-K697 CarbonylContact C-O 3.51Å; F693-K697 WeakPolarHBondContact CA-O 3.31Å; F693-K697 WeakPolarHBondContact CB-O 3.43Å; F693-P698 HydrophobicContact CD1-CG 4.37Å; F693-P698 HydrophobicContact CE1-CB 4.39Å; F693-P698 HydrophobicContact CE1-CG 3.95Å; F693-Y729 CarbonylContact O-C 3.52Å; F693-Y729 VanDerWaalsContact O-CA 3.29Å; F693-Y729 WeakPolarHBondContact O-CA 3.19Å; F693-T730 PolarHBondContact N-O 2.82Å; F693-T730 PolarHBondContact O-N 2.82Å; F693-R732 HydrophobicContact CD2-CB 4.34Å; F693-R732 HydrophobicContact CE2-CB 3.93Å; F693-R732 VanDerWaalsContact CZ-CZ 3.42Å |
| 694 | F | 91.6 | Very high | 83.8 | Confident | 50 Ų | 50 | 63.7 Ų | 63.7 | 22% | 0.219 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.2 | 168.8 | 174.5 | -120 | 0 | 0 | 0 | 109 | G696 K697 L699 E724 D725 Y729 | F694-G696 PolarHBondContact O-N 2.91Å; F694-G696 VanDerWaalsContact O-N 3.12Å; F694-K697 PolarHBondContact N-O 3.29Å; F694-K697 PolarHBondContact O-N 2.91Å; F694-L699 HydrophobicContact CB-CD1 3.92Å; F694-E724 WeakPolarHBondContact CZ-O 3.34Å; F694-D725 VanDerWaalsContact CE2-O 3.31Å; F694-D725 WeakPolarHBondContact CE2-O 3.35Å; F694-Y729 HydrophobicContact CB-CD1 4.36Å; F694-Y729 HydrophobicContact CB-CE1 4.11Å; F694-Y729 HydrophobicContact CD2-CD1 4.11Å; F694-Y729 HydrophobicContact CD2-CD2 4.21Å; F694-Y729 AromaticContact CD2-CE1 3.59Å; F694-Y729 HydrophobicContact CD2-CE1 3.59Å; F694-Y729 VanDerWaalsContact CD2-CE1 3.49Å; F694-Y729 AromaticContact CD2-CE2 3.67Å; F694-Y729 HydrophobicContact CD2-CE2 3.67Å; F694-Y729 HydrophobicContact CD2-CG 4.4Å; F694-Y729 AromaticContact CD2-CZ 3.34Å; F694-Y729 VanDerWaalsContact CD2-CZ 3.42Å; F694-Y729 WeakPolarHBondContact CD2-OH 3.32Å; F694-Y729 HydrophobicContact CE2-CE1 4.32Å; F694-Y729 AromaticContact CE2-CE2 3.75Å; F694-Y729 HydrophobicContact CE2-CE2 3.75Å; F694-Y729 AromaticContact CE2-CZ 3.61Å; F694-Y729 WeakPolarHBondContact CE2-OH 3.43Å; F694-Y729 AromaticContact CG-CE1 3.94Å; F694-Y729 HydrophobicContact CG-CE1 4.13Å |
| 695 | N | 89.7 | Confident | 84.5 | Confident | 92.3333 Ų | 92.3333 | 59.3 Ų | 59.3 | 49% | 0.494 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 38 | -177.3 | -66.9 | -38.2 | 0 | 0 | 0 | 113.2 | K697 G727 L728 | N695-K697 VanDerWaalsContact C-N 3.31Å; N695-K697 PolarHBondContact O-N 2.95Å; N695-G727 WeakPolarHBondContact OD1-CA 3.29Å; N695-L728 PolarHBondContact N-O 2.89Å; N695-L728 PolarHBondContact OD1-N 2.89Å |
| 696 | G | 85.1 | Confident | 84.7 | Confident | 61.6667 Ų | 61.6667 | 63.4 Ų | 63.4 | 64% | 0.636 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | -1.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | F694 | F694-G696 PolarHBondContact O-N 2.91Å; F694-G696 VanDerWaalsContact O-N 3.12Å |
| 697 | K | 84.5 | Confident | 85.4 | Confident | 154.667 Ų | 154.667 | 61.4 Ų | 61.4 | 67% | 0.672 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 145.2 | 170.9 | -64.5 | -177.2 | -179.8 | -179.8 | 0 | 110.2 | F693 F694 N695 L699 | F693-K697 CarbonylContact C-O 3.51Å; F693-K697 WeakPolarHBondContact CA-O 3.31Å; F693-K697 WeakPolarHBondContact CB-O 3.43Å; F694-K697 PolarHBondContact N-O 3.29Å; F694-K697 PolarHBondContact O-N 2.91Å; N695-K697 VanDerWaalsContact C-N 3.31Å; N695-K697 PolarHBondContact O-N 2.95Å; K697-L699 PolarHBondContact O-N 3.1Å |
| 698 | P | 87.3 | Confident | 85.6 | Confident | 96.6667 Ų | 96.6667 | 62.5 Ų | 62.5 | 63% | 0.628 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 129.7 | 173.9 | -23.3 | 32.6 | 0 | 0 | 0 | 111.1 | F693 V700 | F693-P698 HydrophobicContact CD1-CG 4.37Å; F693-P698 HydrophobicContact CE1-CB 4.39Å; F693-P698 HydrophobicContact CE1-CG 3.95Å; P698-V700 PolarHBondContact O-N 3.27Å |
| 699 | L | 88.3 | Confident | 85.5 | Confident | 25 Ų | 25 | 65.2 Ų | 65.2 | 13% | 0.131 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 120.4 | 176.5 | -176.9 | 70.8 | 0 | 0 | 0 | 108.9 | W692 F694 K697 A701 F705 L716 Y729 | W692-L699 HydrophobicContact CB-CB 3.99Å; W692-L699 HydrophobicContact CB-CD2 3.99Å; W692-L699 WeakPolarHBondContact O-CB 3.39Å; W692-L699 PolarHBondContact O-N 2.86Å; F694-L699 HydrophobicContact CB-CD1 3.92Å; K697-L699 PolarHBondContact O-N 3.1Å; L699-A701 PolarHBondContact O-N 3.33Å; L699-F705 HydrophobicContact CD1-CB 4.28Å; L699-F705 HydrophobicContact CD1-CD1 3.83Å; L699-F705 HydrophobicContact CD1-CD2 4.1Å; L699-F705 HydrophobicContact CD1-CE1 4.26Å; L699-F705 HydrophobicContact CD1-CG 4.06Å; L699-F705 HydrophobicContact CD2-CB 4.35Å; L699-F705 HydrophobicContact CD2-CD1 4.37Å; L699-F705 HydrophobicContact CG-CB 4.32Å; L699-F705 HydrophobicContact CG-CD1 4.48Å; L699-F705 HydrophobicContact CG-CG 4.42Å; L699-L716 HydrophobicContact CD2-CD1 3.53Å; L699-L716 VanDerWaalsContact CD2-CD1 3.48Å; L699-L716 HydrophobicContact CD2-CD2 3.72Å; L699-L716 HydrophobicContact CD2-CG 4.31Å; L699-Y729 HydrophobicContact CD1-CD1 4.48Å; L699-Y729 HydrophobicContact CD1-CE1 4.1Å; L699-Y729 HydrophobicContact CD2-CD1 4.25Å; L699-Y729 HydrophobicContact CD2-CE1 4.29Å |
| 700 | V | 81.3 | Confident | 85 | Confident | 118 Ų | 118 | 68 Ų | 68 | 72% | 0.715 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -81 | 121.6 | 176.6 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | P698 | P698-V700 PolarHBondContact O-N 3.27Š|
| 701 | A | 77.5 | Confident | 84.3 | Confident | 67 Ų | 67 | 73.6 Ų | 73.6 | 55% | 0.554 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 139 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L699 F705 P707 | L699-A701 PolarHBondContact O-N 3.33Å; A701-F705 CarbonylContact C-O 3.4Å; A701-F705 WeakPolarHBondContact CA-O 3.29Å; A701-P707 HydrophobicContact CB-CG 3.84Å |
| 702 | S | 76.4 | Confident | 83.9 | Confident | 47 Ų | 47 | 70.9 Ų | 70.9 | 33% | 0.329 | 38% | 0.378 | S | S | . | . | trans | -152.2 | -175.5 | 178 | 82.5 | 0 | 0 | 0 | 0 | 110.8 | R704 F705 | S702-R704 VanDerWaalsContact C-N 3.25Å; S702-R704 PolarHBondContact O-N 3.04Å; S702-R704 PolarHBondContact OG-N 3.05Å; S702-R704 VanDerWaalsContact OG-N 3.12Å; S702-F705 PolarHBondContact N-O 3.07Å; S702-F705 CarbonylContact O-C 3.5Å; S702-F705 PolarHBondContact O-N 3.48Å; S702-F705 VanDerWaalsContact O-O 3.08Å; S702-F705 PolarHBondContact OG-N 3.29Å; S702-F705 VanDerWaalsContact OG-N 3.16Å | ||
| 703 | H | 62.1 | Low | 83.7 | Confident | 116.333 Ų | 116.333 | 75.4 Ų | 75.4 | 54% | 0.539 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -62.9 | -32.2 | 173.9 | 61.8 | -74.1 | 0 | 0 | 0 | 112.4 | R706 T719 | H703-R706 PolarHBondContact O-NE 3.16Å; H703-R706 PolarHBondContact O-NH2 3.36Å; H703-T719 PolarHBondContact O-OG1 2.82Å |
| 704 | R | 85.5 | Confident | 83.5 | Confident | 40 Ų | 40 | 74.2 Ų | 74.2 | 15% | 0.151 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -78.7 | -53.6 | 173.7 | -80.2 | 179.2 | 50.5 | -154.2 | -17.9 | 110.7 | S702 I718 T719 D720 Y722 E724 D725 | S702-R704 VanDerWaalsContact C-N 3.25Å; S702-R704 PolarHBondContact O-N 3.04Å; S702-R704 PolarHBondContact OG-N 3.05Å; S702-R704 VanDerWaalsContact OG-N 3.12Å; R704-I718 CarbonylContact O-C 3.5Å; R704-I718 VanDerWaalsContact O-CA 3.29Å; R704-I718 WeakPolarHBondContact O-CA 3.24Å; R704-T719 WeakPolarHBondContact CA-OG1 3.35Å; R704-T719 WeakPolarHBondContact CG-O 3.34Å; R704-T719 PolarHBondContact O-N 2.94Å; R704-T719 VanDerWaalsContact O-N 3.14Å; R704-T719 PolarHBondContact O-OG1 3.09Å; R704-D720 PolarHBondContact NE-O 3.1Å; R704-Y722 VanDerWaalsContact NH1-CD2 3.3Å; R704-Y722 VanDerWaalsContact NH2-CD2 3.3Å; R704-E724 IonicContact CZ-OE1 3.81Å; R704-E724 IonicContact NH1-OE1 2.75Å; R704-E724 PolarHBondContact NH1-OE1 2.77Å; R704-E724 IonicContact NH2-OE1 3.25Å; R704-E724 PolarHBondContact NH2-OE1 3.17Å; R704-E724 VanDerWaalsContact NH2-OE1 3.08Å; R704-D725 IonicContact CZ-OD2 3.03Å; R704-D725 VanDerWaalsContact NH2-CG 3.29Å; R704-D725 IonicContact NH2-OD1 3.01Å; R704-D725 PolarHBondContact NH2-OD1 3.2Å; R704-D725 IonicContact NH2-OD2 3.27Å; R704-D725 PolarHBondContact NH2-OD2 3.01Å |
| 705 | F | 88.5 | Confident | 83.4 | Confident | 35.3333 Ų | 35.3333 | 72.5 Ų | 72.5 | 16% | 0.155 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 104.4 | -177.2 | -56.4 | -78.6 | 0 | 0 | 0 | 112.1 | L699 A701 S702 P707 E717 I718 D725 Y729 | L699-F705 HydrophobicContact CD1-CB 4.28Å; L699-F705 HydrophobicContact CD1-CD1 3.83Å; L699-F705 HydrophobicContact CD1-CD2 4.1Å; L699-F705 HydrophobicContact CD1-CE1 4.26Å; L699-F705 HydrophobicContact CD1-CG 4.06Å; L699-F705 HydrophobicContact CD2-CB 4.35Å; L699-F705 HydrophobicContact CD2-CD1 4.37Å; L699-F705 HydrophobicContact CG-CB 4.32Å; L699-F705 HydrophobicContact CG-CD1 4.48Å; L699-F705 HydrophobicContact CG-CG 4.42Å; A701-F705 CarbonylContact C-O 3.4Å; A701-F705 WeakPolarHBondContact CA-O 3.29Å; S702-F705 PolarHBondContact N-O 3.07Å; S702-F705 CarbonylContact O-C 3.5Å; S702-F705 PolarHBondContact O-N 3.48Å; S702-F705 VanDerWaalsContact O-O 3.08Å; S702-F705 PolarHBondContact OG-N 3.29Å; S702-F705 VanDerWaalsContact OG-N 3.16Å; F705-P707 VanDerWaalsContact C-CD 3.49Å; F705-P707 WeakPolarHBondContact O-CD 3.41Å; F705-E717 CarbonylContact C-O 3.53Å; F705-I718 HydrophobicContact CD1-CB 4.44Å; F705-I718 HydrophobicContact CD1-CD1 3.97Å; F705-I718 HydrophobicContact CD1-CG1 3.87Å; F705-I718 HydrophobicContact CD1-CG2 3.89Å; F705-I718 HydrophobicContact CE1-CD1 4.01Å; F705-I718 HydrophobicContact CE1-CG1 4.3Å; F705-I718 HydrophobicContact CE1-CG2 3.79Å; F705-I718 HydrophobicContact CZ-CG2 4.42Å; F705-D725 WeakPolarHBondContact CE1-OD1 3.28Å; F705-D725 WeakPolarHBondContact CZ-OD1 3.29Å; F705-Y729 HydrophobicContact CD1-CE1 4.35Å; F705-Y729 HydrophobicContact CE1-CE1 4.19Å |
| 706 | R | 87 | Confident | 83.5 | Confident | 93.3333 Ų | 93.3333 | 68.1 Ų | 68.1 | 35% | 0.352 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 85.3 | -176.4 | -59.6 | 178.2 | -169.5 | 164.5 | -1.4 | 112.2 | H703 L716 E717 | H703-R706 PolarHBondContact O-NE 3.16Å; H703-R706 PolarHBondContact O-NH2 3.36Å; R706-L716 WeakPolarHBondContact O-CA 3.35Å; R706-E717 HydrophobicContact CB-CB 4.25Å; R706-E717 VanDerWaalsContact CD-OE2 3.29Å; R706-E717 WeakPolarHBondContact CD-OE2 3.29Å; R706-E717 IonicContact CZ-OE2 2.76Å; R706-E717 PolarHBondContact N-O 3.03Å; R706-E717 IonicContact NE-OE2 3.52Å; R706-E717 IonicContact NH1-OE1 2.89Å; R706-E717 PolarHBondContact NH1-OE1 2.95Å; R706-E717 IonicContact NH1-OE2 3.25Å; R706-E717 PolarHBondContact NH1-OE2 3.25Å; R706-E717 PolarHBondContact O-N 3.35Å; R706-E717 VanDerWaalsContact O-N 3.12Å |
| 707 | P | 89.1 | Confident | 83.8 | Confident | 41 Ų | 41 | 67 Ų | 67 | 27% | 0.266 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 134.7 | 169.4 | 30.3 | -32.8 | 0 | 0 | 0 | 110.9 | W692 A701 F705 S715 L716 | W692-P707 HydrophobicContact CB-CB 4.34Å; W692-P707 HydrophobicContact CG-CB 3.91Å; A701-P707 HydrophobicContact CB-CG 3.84Å; F705-P707 VanDerWaalsContact C-CD 3.49Å; F705-P707 WeakPolarHBondContact O-CD 3.41Å; P707-S715 CarbonylContact C-O 3.57Å; P707-S715 VanDerWaalsContact CA-O 3.31Å; P707-S715 WeakPolarHBondContact CA-O 3.21Å; P707-L716 HydrophobicContact CB-CD1 4.29Å |
| 708 | M | 85 | Confident | 84.2 | Confident | 74.3333 Ų | 74.3333 | 59.7 Ų | 59.7 | 37% | 0.366 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 143.6 | -179.8 | -62.7 | 180 | -76.6 | 0 | 0 | 111 | A714 S715 | M708-A714 CarbonylContact O-C 3.55Å; M708-A714 WeakPolarHBondContact O-CA 3.44Å; M708-S715 WeakPolarHBondContact CE-OG 3.39Å; M708-S715 PolarHBondContact N-O 3.08Å; M708-S715 PolarHBondContact O-N 3.2Å |
| 709 | Y | 85.4 | Confident | 84 | Confident | 73 Ų | 73 | 56.2 Ų | 56.2 | 29% | 0.286 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 114 | 167.6 | 175.4 | -110.7 | 0 | 0 | 0 | 110.5 | V680 A683 M688 V690 F713 A714 | V680-Y709 HydrophobicContact CB-CE2 4.31Å; V680-Y709 HydrophobicContact CG2-CE2 4.34Å; A683-Y709 PolarHBondContact O-OH 2.98Å; M688-Y709 HydrophobicContact CB-CE1 4.26Å; M688-Y709 HydrophobicContact CG-CE1 4.02Å; M688-Y709 HydrophobicContact CG-CE2 4.44Å; M688-Y709 WeakPolarHBondContact CG-OH 3.39Å; V690-Y709 HydrophobicContact CB-CD1 4.34Å; V690-Y709 HydrophobicContact CB-CD2 4.2Å; V690-Y709 HydrophobicContact CB-CG 3.95Å; V690-Y709 HydrophobicContact CG2-CD1 4.08Å; V690-Y709 HydrophobicContact CG2-CD2 3.47Å; V690-Y709 HydrophobicContact CG2-CE1 4.26Å; V690-Y709 HydrophobicContact CG2-CE2 3.83Å; V690-Y709 HydrophobicContact CG2-CG 3.62Å; Y709-F713 VanDerWaalsContact CA-O 3.27Å; Y709-F713 WeakPolarHBondContact CA-O 3.33Å; Y709-F713 WeakPolarHBondContact CD2-O 3.36Å; Y709-A714 HydrophobicContact CD2-CB 4.23Å |
| 710 | Q | 75.6 | Confident | 83.8 | Confident | 117.667 Ų | 117.667 | 58.8 Ų | 58.8 | 55% | 0.55 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 139.8 | -178.9 | -174.8 | 168.4 | -13.2 | 0 | 0 | 110.7 | V136 G712 F713 | V136-Q710 PolarHBondContact O-OE1 2.8Å; Q710-G712 VanDerWaalsContact C-N 3.29Å; Q710-G712 PolarHBondContact O-N 2.95Å; Q710-G712 VanDerWaalsContact O-N 3.08Å; Q710-F713 PolarHBondContact N-O 3.15Å; Q710-F713 VanDerWaalsContact N-O 3.08Å; Q710-F713 PolarHBondContact O-N 3.26Å |
| 711 | M | 76.7 | Confident | 84 | Confident | 145.667 Ų | 145.667 | 53.2 Ų | 53.2 | 72% | 0.718 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 34.8 | 176.4 | -69.1 | 179.2 | 153.4 | 0 | 0 | 114.7 | N138 F713 | N138-M711 HydrophobicContact CB-CE 3.58Å; N138-M711 WeakPolarHBondContact ND2-CE 3.48Å; N138-M711 PolarHBondContact ND2-SD 3.11Å; M711-F713 VanDerWaalsContact C-N 3.28Å; M711-F713 WeakPolarHBondContact O-CD2 3.25Å; M711-F713 PolarHBondContact O-N 3.31Å |
| 712 | G | 81.7 | Confident | 84.4 | Confident | 2.66667 Ų | 2.66667 | 53.9 Ų | 53.9 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 16.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P679 V680 Q710 | P679-G712 CarbonylContact C-O 3.48Å; P679-G712 VanDerWaalsContact CA-O 3.26Å; P679-G712 WeakPolarHBondContact CA-O 3.2Å; V680-G712 PolarHBondContact N-O 3.07Å; Q710-G712 VanDerWaalsContact C-N 3.29Å; Q710-G712 PolarHBondContact O-N 2.95Å; Q710-G712 VanDerWaalsContact O-N 3.08Å |
| 713 | F | 86.7 | Confident | 84.7 | Confident | 107 Ų | 107 | 54.4 Ų | 54.4 | 47% | 0.469 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 126.9 | 171.6 | -77 | -98.9 | 0 | 0 | 0 | 110.8 | P679 Y709 Q710 M711 | P679-F713 HydrophobicContact CB-CD1 4.18Å; P679-F713 HydrophobicContact CB-CE1 3.94Å; P679-F713 HydrophobicContact CB-CE2 4.43Å; P679-F713 HydrophobicContact CB-CZ 4.14Å; P679-F713 HydrophobicContact CG-CD1 4.21Å; P679-F713 HydrophobicContact CG-CE1 3.7Å; P679-F713 HydrophobicContact CG-CZ 4.17Å; Y709-F713 VanDerWaalsContact CA-O 3.27Å; Y709-F713 WeakPolarHBondContact CA-O 3.33Å; Y709-F713 WeakPolarHBondContact CD2-O 3.36Å; Q710-F713 PolarHBondContact N-O 3.15Å; Q710-F713 VanDerWaalsContact N-O 3.08Å; Q710-F713 PolarHBondContact O-N 3.26Å; M711-F713 VanDerWaalsContact C-N 3.28Å; M711-F713 WeakPolarHBondContact O-CD2 3.25Å; M711-F713 PolarHBondContact O-N 3.31Å |
| 714 | A | 88.9 | Confident | 85.8 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 125.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | F657 D677 C678 V680 V690 M708 Y709 | F657-A714 HydrophobicContact CE1-CB 4.47Å; D677-A714 CarbonylContact C-O 3.57Å; D677-A714 VanDerWaalsContact CA-O 3.32Å; D677-A714 WeakPolarHBondContact CA-O 3.34Å; C678-A714 PolarHBondContact N-O 2.9Å; C678-A714 PolarHBondContact O-N 2.92Å; V680-A714 HydrophobicContact CG2-CB 3.91Å; V690-A714 HydrophobicContact CG1-CB 3.88Å; V690-A714 HydrophobicContact CG2-CB 4.34Å; M708-A714 CarbonylContact O-C 3.55Å; M708-A714 WeakPolarHBondContact O-CA 3.44Å; Y709-A714 HydrophobicContact CD2-CB 4.23Å |
| 715 | S | 89.5 | Confident | 86 | Confident | 14.6667 Ų | 14.6667 | 53.9 Ų | 53.9 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 153.1 | -178.5 | 155.3 | 0 | 0 | 0 | 0 | 112.3 | I676 W692 P707 M708 | I676-S715 CarbonylContact O-C 3.51Å; I676-S715 WeakPolarHBondContact O-CA 3.3Å; I676-S715 WeakPolarHBondContact O-CB 3.46Å; I676-S715 PolarHBondContact O-OG 3.19Å; W692-S715 VanDerWaalsContact CZ2-C 3.42Å; W692-S715 PolarHBondContact NE1-O 3.2Å; P707-S715 CarbonylContact C-O 3.57Å; P707-S715 VanDerWaalsContact CA-O 3.31Å; P707-S715 WeakPolarHBondContact CA-O 3.21Å; M708-S715 WeakPolarHBondContact CE-OG 3.39Å; M708-S715 PolarHBondContact N-O 3.08Å; M708-S715 PolarHBondContact O-N 3.2Å |
| 716 | L | 91.7 | Very high | 86 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 125.8 | 169.4 | 173.5 | 63.6 | 0 | 0 | 0 | 109.2 | Q675 I676 W692 L699 R706 P707 I718 Y729 | Q675-L716 WeakPolarHBondContact CA-O 3.36Å; I676-L716 HydrophobicContact CD1-CB 4.37Å; I676-L716 HydrophobicContact CD1-CD2 4.42Å; I676-L716 HydrophobicContact CG1-CB 3.97Å; I676-L716 PolarHBondContact N-O 3.02Å; I676-L716 PolarHBondContact O-N 3.31Å; W692-L716 HydrophobicContact CD2-CB 3.87Å; W692-L716 HydrophobicContact CD2-CD2 4.17Å; W692-L716 HydrophobicContact CD2-CG 4.49Å; W692-L716 HydrophobicContact CE3-CB 3.87Å; W692-L716 HydrophobicContact CE3-CD2 3.63Å; W692-L716 HydrophobicContact CE3-CG 4.34Å; W692-L716 HydrophobicContact CH2-CB 3.54Å; W692-L716 HydrophobicContact CZ2-CB 3.57Å; W692-L716 HydrophobicContact CZ3-CB 3.71Å; W692-L716 HydrophobicContact CZ3-CD2 3.85Å; W692-L716 HydrophobicContact CZ3-CG 4.44Å; L699-L716 HydrophobicContact CD2-CD1 3.53Å; L699-L716 VanDerWaalsContact CD2-CD1 3.48Å; L699-L716 HydrophobicContact CD2-CD2 3.72Å; L699-L716 HydrophobicContact CD2-CG 4.31Å; R706-L716 WeakPolarHBondContact O-CA 3.35Å; P707-L716 HydrophobicContact CB-CD1 4.29Å; L716-I718 HydrophobicContact CD1-CG1 4.37Å; L716-I718 HydrophobicContact CD2-CD1 4.34Å; L716-I718 HydrophobicContact CD2-CG1 4.34Å; L716-I718 HydrophobicContact CG-CG1 4.21Å; L716-Y729 HydrophobicContact CD2-CD1 3.43Å; L716-Y729 VanDerWaalsContact CD2-CD1 3.43Å; L716-Y729 HydrophobicContact CD2-CE1 4.06Å; L716-Y729 HydrophobicContact CD2-CG 4.07Å |
| 717 | E | 91.6 | Very high | 86.2 | Confident | 38.3333 Ų | 38.3333 | 50.4 Ų | 50.4 | 18% | 0.179 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 133.7 | 169.7 | 179.9 | -170 | -169.7 | 0 | 0 | 109.3 | T673 F674 Q675 F705 R706 T719 | T673-E717 HydrophobicContact CG2-CG 4.27Å; F674-E717 CarbonylContact O-C 3.54Å; F674-E717 WeakPolarHBondContact O-CA 3.44Å; Q675-E717 HydrophobicContact CG-CB 4.46Å; F705-E717 CarbonylContact C-O 3.53Å; R706-E717 HydrophobicContact CB-CB 4.25Å; R706-E717 VanDerWaalsContact CD-OE2 3.29Å; R706-E717 WeakPolarHBondContact CD-OE2 3.29Å; R706-E717 IonicContact CZ-OE2 2.76Å; R706-E717 PolarHBondContact N-O 3.03Å; R706-E717 IonicContact NE-OE2 3.52Å; R706-E717 IonicContact NH1-OE1 2.89Å; R706-E717 PolarHBondContact NH1-OE1 2.95Å; R706-E717 IonicContact NH1-OE2 3.25Å; R706-E717 PolarHBondContact NH1-OE2 3.25Å; R706-E717 PolarHBondContact O-N 3.35Å; R706-E717 VanDerWaalsContact O-N 3.12Å; E717-T719 HydrophobicContact CG-CG2 4.3Å; E717-T719 VanDerWaalsContact OE1-CG2 3.31Å; E717-T719 WeakPolarHBondContact OE1-CG2 3.32Å |
| 718 | I | 91.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 106.9 | 172.3 | -47.4 | 178.2 | 0 | 0 | 0 | 107.7 | T673 F674 R704 F705 L716 V721 Y729 L746 | T673-I718 CarbonylContact C-O 3.55Å; T673-I718 WeakPolarHBondContact CA-O 3.35Å; T673-I718 WeakPolarHBondContact CG2-O 3.31Å; F674-I718 HydrophobicContact CB-CB 4.15Å; F674-I718 HydrophobicContact CB-CD1 4.43Å; F674-I718 HydrophobicContact CB-CG1 4.49Å; F674-I718 HydrophobicContact CD1-CB 4.45Å; F674-I718 HydrophobicContact CD1-CD1 3.59Å; F674-I718 HydrophobicContact CD1-CG1 3.95Å; F674-I718 HydrophobicContact CE1-CD1 4.25Å; F674-I718 HydrophobicContact CG-CD1 4.44Å; F674-I718 PolarHBondContact N-O 2.95Å; F674-I718 PolarHBondContact O-N 3.04Å; R704-I718 CarbonylContact O-C 3.5Å; R704-I718 VanDerWaalsContact O-CA 3.29Å; R704-I718 WeakPolarHBondContact O-CA 3.24Å; F705-I718 HydrophobicContact CD1-CB 4.44Å; F705-I718 HydrophobicContact CD1-CD1 3.97Å; F705-I718 HydrophobicContact CD1-CG1 3.87Å; F705-I718 HydrophobicContact CD1-CG2 3.89Å; F705-I718 HydrophobicContact CE1-CD1 4.01Å; F705-I718 HydrophobicContact CE1-CG1 4.3Å; F705-I718 HydrophobicContact CE1-CG2 3.79Å; F705-I718 HydrophobicContact CZ-CG2 4.42Å; L716-I718 HydrophobicContact CD1-CG1 4.37Å; L716-I718 HydrophobicContact CD2-CD1 4.34Å; L716-I718 HydrophobicContact CD2-CG1 4.34Å; L716-I718 HydrophobicContact CG-CG1 4.21Å; I718-V721 HydrophobicContact CB-CG2 4.23Å; I718-V721 HydrophobicContact CG2-CG2 4.01Å; I718-Y729 HydrophobicContact CD1-CD1 4.21Å; I718-Y729 HydrophobicContact CD1-CD2 4.46Å; I718-Y729 HydrophobicContact CD1-CE1 3.47Å; I718-Y729 VanDerWaalsContact CD1-CE1 3.46Å; I718-Y729 HydrophobicContact CD1-CE2 3.98Å; I718-Y729 VanDerWaalsContact CD1-OH 3.3Å; I718-Y729 WeakPolarHBondContact CD1-OH 3.21Å; I718-L746 HydrophobicContact CD1-CD2 4.19Å |
| 719 | T | 84.2 | Confident | 86.7 | Confident | 23.3333 Ų | 23.3333 | 48.6 Ų | 48.6 | 14% | 0.143 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -84.2 | 143.9 | 173.4 | 59 | 0 | 0 | 0 | 0 | 110.1 | T673 H703 R704 E717 | T673-T719 HydrophobicContact CG2-CG2 4.4Å; H703-T719 PolarHBondContact O-OG1 2.82Å; R704-T719 WeakPolarHBondContact CA-OG1 3.35Å; R704-T719 WeakPolarHBondContact CG-O 3.34Å; R704-T719 PolarHBondContact O-N 2.94Å; R704-T719 VanDerWaalsContact O-N 3.14Å; R704-T719 PolarHBondContact O-OG1 3.09Å; E717-T719 HydrophobicContact CG-CG2 4.3Å; E717-T719 VanDerWaalsContact OE1-CG2 3.31Å; E717-T719 WeakPolarHBondContact OE1-CG2 3.32Å |
| 720 | D | 83.2 | Confident | 87.1 | Confident | 80.3333 Ų | 80.3333 | 45.9 Ų | 45.9 | 43% | 0.43 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 50.1 | 76.7 | -176.5 | -55.4 | -34.4 | 0 | 0 | 0 | 112.6 | R704 Y722 | R704-D720 PolarHBondContact NE-O 3.1Å; D720-Y722 HydrophobicContact CB-CE2 4.12Å; D720-Y722 WeakPolarHBondContact O-CD2 3.32Å; D720-Y722 WeakPolarHBondContact O-CE2 3.41Å |
| 721 | V | 87.3 | Confident | 87.9 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -72.9 | 128.5 | 179.9 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | L668 E670 G671 D672 F674 I718 D725 L746 C748 | L668-V721 HydrophobicContact CD1-CG2 4.12Å; E670-V721 CarbonylContact C-O 3.4Å; E670-V721 VanDerWaalsContact CA-O 3.25Å; E670-V721 WeakPolarHBondContact CA-O 3.42Å; G671-V721 PolarHBondContact N-O 2.9Å; D672-V721 VanDerWaalsContact O-CB 3.22Å; D672-V721 WeakPolarHBondContact O-CB 3.4Å; D672-V721 VanDerWaalsContact O-CG2 3.25Å; D672-V721 WeakPolarHBondContact O-CG2 3.34Å; D672-V721 PolarHBondContact O-N 3.13Å; F674-V721 HydrophobicContact CB-CG2 3.76Å; I718-V721 HydrophobicContact CB-CG2 4.23Å; I718-V721 HydrophobicContact CG2-CG2 4.01Å; V721-D725 WeakPolarHBondContact CA-OD2 3.38Å; V721-D725 HydrophobicContact CG1-CB 4.18Å; V721-L746 HydrophobicContact CG1-CD1 4.35Å; V721-L746 HydrophobicContact CG1-CD2 4Å; V721-L746 HydrophobicContact CG1-CG 4.46Å; V721-L746 HydrophobicContact CG2-CD2 4.35Å; V721-C748 HydrophobicContact CG1-CB 3.8Å | ||
| 722 | Y | 85.3 | Confident | 88.7 | Confident | 82 Ų | 82 | 36.1 Ų | 36.1 | 32% | 0.322 | 19% | 0.186 | S | C | . | . | trans | -107.6 | 164.1 | 176.1 | -66.3 | -91.2 | 0 | 0 | 0 | 111.9 | E670 R704 D720 E724 D725 C748 | E670-Y722 HydrophobicContact CG-CD1 4.26Å; R704-Y722 VanDerWaalsContact NH1-CD2 3.3Å; R704-Y722 VanDerWaalsContact NH2-CD2 3.3Å; D720-Y722 HydrophobicContact CB-CE2 4.12Å; D720-Y722 WeakPolarHBondContact O-CD2 3.32Å; D720-Y722 WeakPolarHBondContact O-CE2 3.41Å; Y722-E724 PolarHBondContact O-N 3.08Å; Y722-E724 VanDerWaalsContact O-N 3.12Å; Y722-D725 PolarHBondContact N-OD2 2.99Å; Y722-D725 WeakPolarHBondContact O-CB 3.34Å; Y722-D725 PolarHBondContact O-N 3.09Å; Y722-C748 VanDerWaalsContact C-SG 3.53Å; Y722-C748 WeakPolarHBondContact O-CB 3.24Å | ||
| 723 | P | 83.2 | Confident | 89.2 | Confident | 56.6667 Ų | 56.6667 | 36 Ų | 36 | 37% | 0.368 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -52.6 | -34.3 | 175.5 | -30.5 | 38.3 | 0 | 0 | 0 | 114.1 | D725 S726 | P723-D725 VanDerWaalsContact C-N 3.3Å; P723-D725 PolarHBondContact O-N 2.95Å; P723-S726 VanDerWaalsContact O-CB 3.27Å; P723-S726 WeakPolarHBondContact O-CB 3.29Å; P723-S726 PolarHBondContact O-N 3.12Å; P723-S726 PolarHBondContact O-OG 2.87Å |
| 724 | E | 84.7 | Confident | 89.4 | Confident | 139 Ų | 139 | 36 Ų | 36 | 65% | 0.65 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -68.4 | -20.6 | 176.7 | 55 | -175.9 | -149.8 | 0 | 0 | 114.8 | F694 R704 Y722 S726 | F694-E724 WeakPolarHBondContact CZ-O 3.34Å; R704-E724 IonicContact CZ-OE1 3.81Å; R704-E724 IonicContact NH1-OE1 2.75Å; R704-E724 PolarHBondContact NH1-OE1 2.77Å; R704-E724 IonicContact NH2-OE1 3.25Å; R704-E724 PolarHBondContact NH2-OE1 3.17Å; R704-E724 VanDerWaalsContact NH2-OE1 3.08Å; Y722-E724 PolarHBondContact O-N 3.08Å; Y722-E724 VanDerWaalsContact O-N 3.12Å; E724-S726 PolarHBondContact O-N 3.18Å |
| 725 | D | 88.8 | Confident | 89.3 | Confident | 6.66667 Ų | 6.66667 | 36.8 Ų | 36.8 | 4% | 0.036 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -79.3 | -6 | 175.1 | -60 | -31.5 | 0 | 0 | 0 | 112.1 | F694 R704 F705 V721 Y722 P723 G727 Y729 L746 | F694-D725 VanDerWaalsContact CE2-O 3.31Å; F694-D725 WeakPolarHBondContact CE2-O 3.35Å; R704-D725 IonicContact CZ-OD2 3.03Å; R704-D725 VanDerWaalsContact NH2-CG 3.29Å; R704-D725 IonicContact NH2-OD1 3.01Å; R704-D725 PolarHBondContact NH2-OD1 3.2Å; R704-D725 IonicContact NH2-OD2 3.27Å; R704-D725 PolarHBondContact NH2-OD2 3.01Å; F705-D725 WeakPolarHBondContact CE1-OD1 3.28Å; F705-D725 WeakPolarHBondContact CZ-OD1 3.29Å; V721-D725 WeakPolarHBondContact CA-OD2 3.38Å; V721-D725 HydrophobicContact CG1-CB 4.18Å; Y722-D725 PolarHBondContact N-OD2 2.99Å; Y722-D725 WeakPolarHBondContact O-CB 3.34Å; Y722-D725 PolarHBondContact O-N 3.09Å; P723-D725 VanDerWaalsContact C-N 3.3Å; P723-D725 PolarHBondContact O-N 2.95Å; D725-G727 PolarHBondContact O-N 2.97Å; D725-Y729 WeakPolarHBondContact O-CE2 3.43Å; D725-Y729 PolarHBondContact O-OH 3.19Å; D725-L746 HydrophobicContact CB-CD2 4.27Å |
| 726 | S | 89.9 | Confident | 89 | Confident | 40 Ų | 40 | 41.9 Ų | 41.9 | 28% | 0.28 | 21% | 0.211 | S | C | . | . | trans | -63.1 | 125.4 | 176.1 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | P723 E724 L746 C748 | P723-S726 VanDerWaalsContact O-CB 3.27Å; P723-S726 WeakPolarHBondContact O-CB 3.29Å; P723-S726 PolarHBondContact O-N 3.12Å; P723-S726 PolarHBondContact O-OG 2.87Å; E724-S726 PolarHBondContact O-N 3.18Å; S726-L746 CarbonylContact C-O 3.56Å; S726-L746 WeakPolarHBondContact CA-O 3.31Å; S726-C748 WeakPolarHBondContact OG-CB 3.31Å; S726-C748 PolarHBondContact OG-N 2.86Å | ||
| 727 | G | 90 | Very high | 88.7 | Confident | 17 Ų | 17 | 45.3 Ų | 45.3 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165 | -168.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | N695 D725 L746 | N695-G727 WeakPolarHBondContact OD1-CA 3.29Å; D725-G727 PolarHBondContact O-N 2.97Å; G727-L746 PolarHBondContact N-O 3.05Å; G727-L746 PolarHBondContact O-N 2.88Å |
| 728 | L | 92.6 | Very high | 88.5 | Confident | 76.6667 Ų | 76.6667 | 44.9 Ų | 44.9 | 40% | 0.401 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 116.2 | -179.9 | -170 | 69.4 | 0 | 0 | 0 | 110.1 | N695 P745 | N695-L728 PolarHBondContact N-O 2.89Å; N695-L728 PolarHBondContact OD1-N 2.89Å; L728-P745 HydrophobicContact CD1-CB 4.35Å |
| 729 | Y | 92.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 121.4 | 173.6 | -69.5 | -91.7 | 0 | 0 | 0 | 109.6 | F674 F693 F694 L699 F705 L716 I718 D725 S743 A744 L746 | F674-Y729 HydrophobicContact CE1-CD2 4.19Å; F674-Y729 HydrophobicContact CE1-CG 4.41Å; F693-Y729 CarbonylContact O-C 3.52Å; F693-Y729 VanDerWaalsContact O-CA 3.29Å; F693-Y729 WeakPolarHBondContact O-CA 3.19Å; F694-Y729 HydrophobicContact CB-CD1 4.36Å; F694-Y729 HydrophobicContact CB-CE1 4.11Å; F694-Y729 HydrophobicContact CD2-CD1 4.11Å; F694-Y729 HydrophobicContact CD2-CD2 4.21Å; F694-Y729 AromaticContact CD2-CE1 3.59Å; F694-Y729 HydrophobicContact CD2-CE1 3.59Å; F694-Y729 VanDerWaalsContact CD2-CE1 3.49Å; F694-Y729 AromaticContact CD2-CE2 3.67Å; F694-Y729 HydrophobicContact CD2-CE2 3.67Å; F694-Y729 HydrophobicContact CD2-CG 4.4Å; F694-Y729 AromaticContact CD2-CZ 3.34Å; F694-Y729 VanDerWaalsContact CD2-CZ 3.42Å; F694-Y729 WeakPolarHBondContact CD2-OH 3.32Å; F694-Y729 HydrophobicContact CE2-CE1 4.32Å; F694-Y729 AromaticContact CE2-CE2 3.75Å; F694-Y729 HydrophobicContact CE2-CE2 3.75Å; F694-Y729 AromaticContact CE2-CZ 3.61Å; F694-Y729 WeakPolarHBondContact CE2-OH 3.43Å; F694-Y729 AromaticContact CG-CE1 3.94Å; F694-Y729 HydrophobicContact CG-CE1 4.13Å; L699-Y729 HydrophobicContact CD1-CD1 4.48Å; L699-Y729 HydrophobicContact CD1-CE1 4.1Å; L699-Y729 HydrophobicContact CD2-CD1 4.25Å; L699-Y729 HydrophobicContact CD2-CE1 4.29Å; F705-Y729 HydrophobicContact CD1-CE1 4.35Å; F705-Y729 HydrophobicContact CE1-CE1 4.19Å; L716-Y729 HydrophobicContact CD2-CD1 3.43Å; L716-Y729 VanDerWaalsContact CD2-CD1 3.43Å; L716-Y729 HydrophobicContact CD2-CE1 4.06Å; L716-Y729 HydrophobicContact CD2-CG 4.07Å; I718-Y729 HydrophobicContact CD1-CD1 4.21Å; I718-Y729 HydrophobicContact CD1-CD2 4.46Å; I718-Y729 HydrophobicContact CD1-CE1 3.47Å; I718-Y729 VanDerWaalsContact CD1-CE1 3.46Å; I718-Y729 HydrophobicContact CD1-CE2 3.98Å; I718-Y729 VanDerWaalsContact CD1-OH 3.3Å; I718-Y729 WeakPolarHBondContact CD1-OH 3.21Å; D725-Y729 WeakPolarHBondContact O-CE2 3.43Å; D725-Y729 PolarHBondContact O-OH 3.19Å; Y729-S743 CarbonylContact O-C 3.54Å; Y729-S743 WeakPolarHBondContact O-CA 3.46Å; Y729-A744 PolarHBondContact N-O 2.95Å; Y729-A744 PolarHBondContact O-N 3.02Å; Y729-L746 HydrophobicContact CD2-CB 4.03Å; Y729-L746 HydrophobicContact CD2-CD2 4.47Å; Y729-L746 HydrophobicContact CE2-CB 3.82Å; Y729-L746 HydrophobicContact CE2-CD2 3.72Å; Y729-L746 HydrophobicContact CE2-CG 4.36Å |
| 730 | T | 93 | Very high | 88.9 | Confident | 15.6667 Ų | 15.6667 | 50.5 Ų | 50.5 | 10% | 0.096 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 125.2 | -179.4 | -58 | 0 | 0 | 0 | 0 | 110.2 | W692 F693 E741 I742 S743 | W692-T730 CarbonylContact C-O 3.56Å; W692-T730 WeakPolarHBondContact CA-O 3.38Å; F693-T730 PolarHBondContact N-O 2.82Å; F693-T730 PolarHBondContact O-N 2.82Å; T730-E741 HydrophobicContact CG2-CB 4.09Å; T730-E741 HydrophobicContact CG2-CG 4.36Å; T730-I742 CarbonylContact C-O 3.55Å; T730-I742 VanDerWaalsContact CA-O 3.31Å; T730-I742 WeakPolarHBondContact CA-O 3.29Å; T730-S743 WeakPolarHBondContact CB-OG 3.48Å; T730-S743 WeakPolarHBondContact CG2-OG 3.34Å; T730-S743 PolarHBondContact OG1-OG 2.89Å |
| 731 | C | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 126.1 | 169.3 | 174.6 | 0 | 0 | 0 | 0 | 109 | F657 F661 V690 E691 W692 E741 I742 | F657-C731 HydrophobicContact CZ-CB 4.38Å; F657-C731 VanDerWaalsContact CZ-SG 3.57Å; F661-C731 HydrophobicContact CE2-CB 4.35Å; V690-C731 VanDerWaalsContact CG1-SG 3.56Å; E691-C731 CarbonylContact O-C 3.55Å; W692-C731 HydrophobicContact CD2-CB 3.92Å; W692-C731 HydrophobicContact CE3-CB 3.81Å; W692-C731 HydrophobicContact CH2-CB 3.67Å; W692-C731 HydrophobicContact CZ2-CB 3.73Å; W692-C731 HydrophobicContact CZ3-CB 3.68Å; C731-E741 CarbonylContact O-C 3.54Å; C731-E741 VanDerWaalsContact O-CA 3.27Å; C731-E741 WeakPolarHBondContact O-CA 3.28Å; C731-I742 HydrophobicContact CB-CG2 3.75Å; C731-I742 PolarHBondContact N-O 3.04Å; C731-I742 PolarHBondContact O-N 2.95Å |
| 732 | R | 92.7 | Very high | 89.6 | Confident | 58 Ų | 58 | 52.3 Ų | 52.3 | 22% | 0.219 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 116.1 | 178.6 | -177.8 | 170.8 | 75.3 | -170.8 | 6.1 | 110.1 | V690 E691 F693 A740 E741 | V690-R732 CarbonylContact C-O 3.51Å; V690-R732 VanDerWaalsContact CA-O 3.31Å; V690-R732 WeakPolarHBondContact CA-O 3.33Å; E691-R732 PolarHBondContact N-O 3.04Å; E691-R732 PolarHBondContact O-N 3.29Å; E691-R732 IonicContact OE1-NH2 3.05Å; E691-R732 PolarHBondContact OE1-NH2 2.79Å; E691-R732 IonicContact OE2-CZ 3.62Å; E691-R732 VanDerWaalsContact OE2-CZ 3.28Å; E691-R732 IonicContact OE2-NE 3.13Å; E691-R732 PolarHBondContact OE2-NE 3.17Å; E691-R732 VanDerWaalsContact OE2-NE 3.1Å; E691-R732 IonicContact OE2-NH2 3.39Å; E691-R732 PolarHBondContact OE2-NH2 2.94Å; F693-R732 HydrophobicContact CD2-CB 4.34Å; F693-R732 HydrophobicContact CE2-CB 3.93Å; F693-R732 VanDerWaalsContact CZ-CZ 3.42Å; R732-A740 CarbonylContact C-O 3.49Å; R732-A740 WeakPolarHBondContact CA-O 3.26Å; R732-E741 HydrophobicContact CB-CG 3.87Å; R732-E741 WeakPolarHBondContact CD-OE1 3.29Å; R732-E741 HydrophobicContact CG-CG 3.72Å; R732-E741 IonicContact NH1-OE1 3.56Å |
| 733 | A | 92.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 134.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | P655 F657 V680 M688 V689 V690 Q739 A740 | P655-A733 HydrophobicContact CB-CB 3.78Å; P655-A733 HydrophobicContact CG-CB 4.25Å; P655-A733 WeakPolarHBondContact CG-O 3.39Å; F657-A733 HydrophobicContact CE1-CB 4.4Å; F657-A733 HydrophobicContact CE2-CB 4.22Å; F657-A733 HydrophobicContact CZ-CB 3.73Å; V680-A733 HydrophobicContact CG1-CB 3.82Å; M688-A733 HydrophobicContact SD-CB 4.08Å; V689-A733 CarbonylContact O-C 3.54Å; V689-A733 WeakPolarHBondContact O-CA 3.41Å; V690-A733 HydrophobicContact CG2-CB 4.11Å; A733-Q739 CarbonylContact O-C 3.58Å; A733-Q739 WeakPolarHBondContact O-CA 3.42Å; A733-Q739 WeakPolarHBondContact O-CB 3.39Å; A733-A740 PolarHBondContact N-O 2.9Å; A733-A740 PolarHBondContact O-N 3.1Å |
| 734 | R | 91 | Very high | 90.2 | Very high | 107 Ų | 107 | 48.1 Ų | 48.1 | 40% | 0.404 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.6 | 175.7 | 66.4 | 179.8 | -139.2 | -134.9 | 0.4 | 111 | M688 V689 E691 G738 Q739 | M688-R734 CarbonylContact C-O 3.55Å; M688-R734 WeakPolarHBondContact CA-O 3.29Å; V689-R734 HydrophobicContact CB-CG 3.73Å; V689-R734 HydrophobicContact CG1-CG 4.35Å; V689-R734 HydrophobicContact CG2-CG 4.45Å; V689-R734 PolarHBondContact N-O 2.87Å; V689-R734 WeakPolarHBondContact O-CG 3.43Å; V689-R734 PolarHBondContact O-N 2.76Å; E691-R734 IonicContact OE1-CZ 2.77Å; E691-R734 IonicContact OE1-NH1 3.26Å; E691-R734 PolarHBondContact OE1-NH1 3Å; E691-R734 IonicContact OE1-NH2 3.33Å; E691-R734 IonicContact OE2-CZ 3.25Å; E691-R734 IonicContact OE2-NH1 3.69Å; E691-R734 PolarHBondContact OE2-NH1 3.32Å; R734-G738 WeakPolarHBondContact CA-O 3.23Å; R734-Q739 HydrophobicContact CB-CB 4.17Å |
| 735 | N | 88.1 | Confident | 90.5 | Very high | 17.6667 Ų | 17.6667 | 43 Ų | 43 | 9% | 0.094 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | -168.9 | 166 | 73.8 | -3.1 | 0 | 0 | 0 | 110.3 | E653 P655 D685 N687 M688 N737 G738 | E653-N735 PolarHBondContact O-ND2 2.78Å; P655-N735 VanDerWaalsContact CD-OD1 3.26Å; P655-N735 WeakPolarHBondContact CD-OD1 3.37Å; P655-N735 HydrophobicContact CG-CB 4.19Å; D685-N735 VanDerWaalsContact OD2-CB 3.22Å; D685-N735 WeakPolarHBondContact OD2-CB 3.26Å; D685-N735 PolarHBondContact OD2-ND2 3.08Å; N687-N735 HydrophobicContact CB-CB 4.48Å; N687-N735 WeakPolarHBondContact O-CA 3.36Å; M688-N735 HydrophobicContact CE-CB 4.3Å; M688-N735 HydrophobicContact SD-CB 4.3Å; N735-N737 PolarHBondContact ND2-ND2 3.3Å; N735-N737 PolarHBondContact O-N 3.32Å; N735-N737 WeakPolarHBondContact OD1-CA 3.27Å; N735-N737 PolarHBondContact OD1-N 3.06Å; N735-G738 PolarHBondContact N-O 3.18Å; N735-G738 PolarHBondContact OD1-N 2.99Å; N735-G738 VanDerWaalsContact OD1-N 3.1Å; N735-G738 PolarHBondContact OD1-O 2.98Å |
| 736 | L | 83.3 | Confident | 90.6 | Very high | 121.333 Ų | 121.333 | 42.9 Ų | 42.9 | 64% | 0.635 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -20.4 | 178.7 | -68 | 177.9 | 0 | 0 | 0 | 114.1 | N687 | N687-L736 HydrophobicContact CB-CD1 4.26Å; N687-L736 HydrophobicContact CB-CD2 4.4Å; N687-L736 HydrophobicContact CB-CG 3.79Å; N687-L736 VanDerWaalsContact CG-CD1 3.49Å; N687-L736 VanDerWaalsContact ND2-CD1 3.33Å; N687-L736 WeakPolarHBondContact ND2-CD1 3.42Å; N687-L736 WeakPolarHBondContact OD1-CD1 3.04Å |
| 737 | N | 85.5 | Confident | 90.6 | Very high | 70.6667 Ų | 70.6667 | 45.6 Ų | 45.6 | 38% | 0.378 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -13 | -173.6 | -57.4 | -70.5 | 0 | 0 | 0 | 113.6 | F651 E653 P654 N735 | F651-N737 PolarHBondContact O-ND2 2.92Å; E653-N737 PolarHBondContact O-ND2 3.06Å; P654-N737 HydrophobicContact CB-CB 4.49Å; N735-N737 PolarHBondContact ND2-ND2 3.3Å; N735-N737 PolarHBondContact O-N 3.32Å; N735-N737 WeakPolarHBondContact OD1-CA 3.27Å; N735-N737 PolarHBondContact OD1-N 3.06Å |
| 738 | G | 86.9 | Confident | 90.4 | Very high | 30 Ų | 30 | 45.4 Ų | 45.4 | 31% | 0.309 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.6 | -163.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | P655 R734 N735 | P655-G738 WeakPolarHBondContact CD-O 3.19Å; R734-G738 WeakPolarHBondContact CA-O 3.23Å; N735-G738 PolarHBondContact N-O 3.18Å; N735-G738 PolarHBondContact OD1-N 2.99Å; N735-G738 VanDerWaalsContact OD1-N 3.1Å; N735-G738 PolarHBondContact OD1-O 2.98Å |
| 739 | Q | 92 | Very high | 89.7 | Confident | 120.667 Ų | 120.667 | 46.7 Ų | 46.7 | 56% | 0.564 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 153.5 | 177.5 | 66.5 | 176.3 | 30.1 | 0 | 0 | 110.8 | A733 R734 E741 | A733-Q739 CarbonylContact O-C 3.58Å; A733-Q739 WeakPolarHBondContact O-CA 3.42Å; A733-Q739 WeakPolarHBondContact O-CB 3.39Å; R734-Q739 HydrophobicContact CB-CB 4.17Å; Q739-E741 PolarHBondContact NE2-OE1 2.83Å |
| 740 | A | 91.5 | Very high | 88.3 | Confident | 21.3333 Ų | 21.3333 | 48.7 Ų | 48.7 | 18% | 0.176 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 150.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | P655 F657 R732 A733 | P655-A740 HydrophobicContact CB-CB 4.26Å; P655-A740 HydrophobicContact CG-CB 4.16Å; P655-A740 VanDerWaalsContact O-CB 3.24Å; P655-A740 WeakPolarHBondContact O-CB 3.2Å; F657-A740 HydrophobicContact CD2-CB 3.94Å; F657-A740 HydrophobicContact CE2-CB 3.86Å; F657-A740 WeakPolarHBondContact CE2-O 3.32Å; R732-A740 CarbonylContact C-O 3.49Å; R732-A740 WeakPolarHBondContact CA-O 3.26Å; A733-A740 PolarHBondContact N-O 2.9Å; A733-A740 PolarHBondContact O-N 3.1Å |
| 741 | E | 92.7 | Very high | 86.2 | Confident | 107 Ų | 107 | 50.5 Ų | 50.5 | 50% | 0.5 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 143.7 | 178.6 | -69.7 | -180 | -175.5 | 0 | 0 | 110.2 | T730 C731 R732 Q739 | T730-E741 HydrophobicContact CG2-CB 4.09Å; T730-E741 HydrophobicContact CG2-CG 4.36Å; C731-E741 CarbonylContact O-C 3.54Å; C731-E741 VanDerWaalsContact O-CA 3.27Å; C731-E741 WeakPolarHBondContact O-CA 3.28Å; R732-E741 HydrophobicContact CB-CG 3.87Å; R732-E741 WeakPolarHBondContact CD-OE1 3.29Å; R732-E741 HydrophobicContact CG-CG 3.72Å; R732-E741 IonicContact NH1-OE1 3.56Å; Q739-E741 PolarHBondContact NE2-OE1 2.83Å |
| 742 | I | 91.9 | Very high | 84.1 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 6% | 0.062 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 140 | 176.9 | -170.9 | 178.8 | 0 | 0 | 0 | 108.6 | F657 G659 F661 C678 T730 C731 | F657-I742 HydrophobicContact CB-CD1 4.09Å; F657-I742 HydrophobicContact CD1-CB 4.48Å; F657-I742 HydrophobicContact CD1-CG2 3.75Å; F657-I742 HydrophobicContact CD2-CB 3.77Å; F657-I742 HydrophobicContact CD2-CG2 3.71Å; F657-I742 HydrophobicContact CE1-CG2 3.66Å; F657-I742 HydrophobicContact CE2-CB 4.03Å; F657-I742 HydrophobicContact CE2-CG2 3.62Å; F657-I742 HydrophobicContact CG-CB 4.03Å; F657-I742 HydrophobicContact CG-CD1 4.24Å; F657-I742 HydrophobicContact CG-CG2 3.78Å; F657-I742 HydrophobicContact CZ-CB 4.48Å; F657-I742 HydrophobicContact CZ-CG2 3.61Å; G659-I742 VanDerWaalsContact O-CD1 3.27Å; G659-I742 WeakPolarHBondContact O-CD1 3.32Å; F661-I742 HydrophobicContact CB-CD1 4.42Å; F661-I742 HydrophobicContact CB-CG1 4.31Å; F661-I742 HydrophobicContact CD1-CD1 4.14Å; F661-I742 HydrophobicContact CD2-CB 4.32Å; F661-I742 HydrophobicContact CD2-CD1 3.94Å; F661-I742 HydrophobicContact CD2-CG1 3.64Å; F661-I742 HydrophobicContact CD2-CG2 4.05Å; F661-I742 HydrophobicContact CE1-CD1 4.4Å; F661-I742 HydrophobicContact CE2-CB 4.38Å; F661-I742 HydrophobicContact CE2-CD1 4.22Å; F661-I742 HydrophobicContact CE2-CG1 4.1Å; F661-I742 HydrophobicContact CE2-CG2 3.62Å; F661-I742 HydrophobicContact CG-CD1 3.89Å; F661-I742 HydrophobicContact CG-CG1 3.96Å; F661-I742 HydrophobicContact CZ-CD1 4.43Å; F661-I742 HydrophobicContact CZ-CG2 4.18Å; C678-I742 HydrophobicContact CB-CD1 4.4Å; T730-I742 CarbonylContact C-O 3.55Å; T730-I742 VanDerWaalsContact CA-O 3.31Å; T730-I742 WeakPolarHBondContact CA-O 3.29Å; C731-I742 HydrophobicContact CB-CG2 3.75Å; C731-I742 PolarHBondContact N-O 3.04Å; C731-I742 PolarHBondContact O-N 2.95Å |
| 743 | S | 92.4 | Very high | 81.6 | Confident | 45 Ų | 45 | 65.2 Ų | 65.2 | 32% | 0.315 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 141.1 | -171.6 | -56.3 | 0 | 0 | 0 | 0 | 113.8 | F661 Y729 T730 | F661-S743 WeakPolarHBondContact CB-O 3.34Å; Y729-S743 CarbonylContact O-C 3.54Å; Y729-S743 WeakPolarHBondContact O-CA 3.46Å; T730-S743 WeakPolarHBondContact CB-OG 3.48Å; T730-S743 WeakPolarHBondContact CG2-OG 3.34Å; T730-S743 PolarHBondContact OG1-OG 2.89Å |
| 744 | A | 89.7 | Confident | 79 | Confident | 5 Ų | 5 | 72.3 Ų | 72.3 | 4% | 0.041 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 122.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | F661 F674 I676 Y729 | F661-A744 HydrophobicContact CB-CB 3.91Å; F661-A744 HydrophobicContact CD2-CB 3.77Å; F661-A744 HydrophobicContact CG-CB 3.98Å; F674-A744 HydrophobicContact CZ-CB 4.14Å; I676-A744 HydrophobicContact CD1-CB 3.74Å; I676-A744 HydrophobicContact CG2-CB 4.33Å; Y729-A744 PolarHBondContact N-O 2.95Å; Y729-A744 PolarHBondContact O-N 3.02Å |
| 745 | P | 91.6 | Very high | 76.5 | Confident | 30.6667 Ų | 30.6667 | 74.2 Ų | 74.2 | 20% | 0.199 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 128.7 | 172.1 | 25.6 | -23.3 | 0 | 0 | 0 | 111.8 | S662 S663 P665 K666 L728 | S662-P745 WeakPolarHBondContact O-CD 3.35Å; S663-P745 WeakPolarHBondContact O-CG 3.45Å; P665-P745 WeakPolarHBondContact CA-O 3.4Å; P665-P745 HydrophobicContact CB-CB 4.24Å; P665-P745 HydrophobicContact CB-CG 4.47Å; K666-P745 PolarHBondContact N-O 3.04Å; L728-P745 HydrophobicContact CD1-CB 4.35Å |
| 746 | L | 89.7 | Confident | 74.2 | Confident | 6 Ų | 6 | 79 Ų | 79 | 3% | 0.031 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 135.9 | 172.1 | 172 | 58.9 | 0 | 0 | 0 | 109.8 | L668 F674 I718 V721 D725 S726 G727 Y729 | L668-L746 HydrophobicContact CB-CD1 4.36Å; L668-L746 HydrophobicContact CD1-CD1 3.7Å; L668-L746 HydrophobicContact CG-CD1 4.07Å; F674-L746 HydrophobicContact CB-CD1 4.34Å; F674-L746 HydrophobicContact CB-CD2 4.2Å; F674-L746 HydrophobicContact CD1-CD2 4.17Å; F674-L746 HydrophobicContact CD2-CB 4.38Å; F674-L746 HydrophobicContact CD2-CD1 3.68Å; F674-L746 HydrophobicContact CD2-CD2 4.33Å; F674-L746 HydrophobicContact CD2-CG 4.37Å; F674-L746 HydrophobicContact CE2-CB 4.13Å; F674-L746 HydrophobicContact CE2-CD1 4.13Å; F674-L746 HydrophobicContact CE2-CG 4.46Å; F674-L746 HydrophobicContact CG-CD1 4.1Å; F674-L746 HydrophobicContact CG-CD2 4.01Å; F674-L746 HydrophobicContact CG-CG 4.44Å; F674-L746 HydrophobicContact CZ-CB 4.21Å; I718-L746 HydrophobicContact CD1-CD2 4.19Å; V721-L746 HydrophobicContact CG1-CD1 4.35Å; V721-L746 HydrophobicContact CG1-CD2 4Å; V721-L746 HydrophobicContact CG1-CG 4.46Å; V721-L746 HydrophobicContact CG2-CD2 4.35Å; D725-L746 HydrophobicContact CB-CD2 4.27Å; S726-L746 CarbonylContact C-O 3.56Å; S726-L746 WeakPolarHBondContact CA-O 3.31Å; G727-L746 PolarHBondContact N-O 3.05Å; G727-L746 PolarHBondContact O-N 2.88Å; Y729-L746 HydrophobicContact CD2-CB 4.03Å; Y729-L746 HydrophobicContact CD2-CD2 4.47Å; Y729-L746 HydrophobicContact CE2-CB 3.82Å; Y729-L746 HydrophobicContact CE2-CD2 3.72Å; Y729-L746 HydrophobicContact CE2-CG 4.36Å |
| 747 | Q | 89.4 | Confident | 72.1 | Confident | 95.6667 Ų | 95.6667 | 80.7 Ų | 80.7 | 45% | 0.447 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 115.6 | 173.9 | -174.1 | 173.3 | -0.2 | 0 | 0 | 110 | P665 K666 L667 L668 | P665-Q747 HydrophobicContact CB-CB 4.15Å; K666-Q747 PolarHBondContact O-N 3.27Å; K666-Q747 VanDerWaalsContact O-N 3.16Å; L667-Q747 CarbonylContact C-O 3.52Å; L667-Q747 VanDerWaalsContact CA-O 3.31Å; L667-Q747 WeakPolarHBondContact CA-O 3.31Å; L667-Q747 HydrophobicContact CD1-CB 4.14Å; L667-Q747 HydrophobicContact CD1-CG 3.91Å; L668-Q747 PolarHBondContact N-O 2.97Å |
| 748 | C | 86.1 | Confident | 69.7 | Low | 13.3333 Ų | 13.3333 | 79.5 Ų | 79.5 | 9% | 0.09 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 134.2 | 176.8 | -179.6 | 0 | 0 | 0 | 0 | 111.1 | L668 V721 Y722 S726 | L668-C748 CarbonylContact O-C 3.52Å; L668-C748 VanDerWaalsContact O-CA 3.26Å; L668-C748 WeakPolarHBondContact O-CA 3.37Å; V721-C748 HydrophobicContact CG1-CB 3.8Å; Y722-C748 VanDerWaalsContact C-SG 3.53Å; Y722-C748 WeakPolarHBondContact O-CB 3.24Å; S726-C748 WeakPolarHBondContact OG-CB 3.31Å; S726-C748 PolarHBondContact OG-N 2.86Å |
| 749 | Q | 78.9 | Confident | 67.7 | Low | 103 Ų | 103 | 85.7 Ų | 85.7 | 48% | 0.481 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 110.3 | 168.8 | -63.1 | -166.8 | -38.5 | 0 | 0 | 108.9 | L667 L668 E670 | L667-Q749 HydrophobicContact CD1-CG 3.93Å; L667-Q749 HydrophobicContact CG-CG 4.22Å; L668-Q749 PolarHBondContact O-N 2.81Å; E670-Q749 PolarHBondContact N-O 3.03Å |
| 750 | G | 62.9 | Low | 65.3 | Low | 42.6667 Ų | 42.6667 | 85.4 Ų | 85.4 | 44% | 0.44 | 46% | 0.463 | S | S | . | . | trans | -67.7 | 139 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E670 E752 | E670-G750 WeakPolarHBondContact OE2-CA 3.44Å; G750-E752 PolarHBondContact O-N 3.28Å | ||
| 751 | G | 49.9 | Very low | 63.2 | Low | 53.3333 Ų | 53.3333 | 89 Ų | 89 | 55% | 0.55 | 49% | 0.485 | S | S | . | . | trans | -73 | 125.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E670 Q753 | E670-G751 PolarHBondContact OE2-N 2.85Å; G751-Q753 VanDerWaalsContact C-N 3.3Å; G751-Q753 PolarHBondContact O-N 3.42Å | ||
| 752 | E | 47.3 | Very low | 61.2 | Low | 185 Ų | 185 | 89.2 Ų | 89.2 | 86% | 0.864 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -74.5 | 65.2 | 169.9 | -71.4 | -167.6 | 151.9 | 0 | 0 | 111.5 | G750 | G750-E752 PolarHBondContact O-N 3.28Š|
| 753 | Q | 40.5 | Very low | 58.9 | Low | 181 Ų | 181 | 90.3 Ų | 90.3 | 85% | 0.846 | 50% | 0.498 | S | S | * | . | trans | -165.6 | 63.4 | 164.4 | -91.4 | 172.3 | 50.2 | 0 | 0 | 113.7 | G751 | G751-Q753 VanDerWaalsContact C-N 3.3Å; G751-Q753 PolarHBondContact O-N 3.42Å | ||
| 754 | I | 37.3 | Very low | 56.8 | Low | 149.333 Ų | 149.333 | 94.6 Ų | 94.6 | 77% | 0.766 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -151.8 | 125.9 | 145.3 | -76.4 | 160.6 | 0 | 0 | 0 | 105.8 | T756 | I754-T756 HydrophobicContact CB-CG2 4.3Å; I754-T756 HydrophobicContact CG2-CG2 3.76Å; I754-T756 PolarHBondContact O-N 2.94Å |
| 755 | L | 39.4 | Very low | 55.4 | Low | 148.333 Ų | 148.333 | 100.7 Ų | 100.7 | 78% | 0.777 | 53% | 0.533 | S | S | * | . | trans | -64.1 | 91.5 | 176.4 | -79.9 | 143.2 | 0 | 0 | 0 | 110.6 | Q757 | L755-Q757 VanDerWaalsContact C-N 3.29Å; L755-Q757 CarbonylContact C-O 3.58Å; L755-Q757 PolarHBondContact O-N 2.92Å; L755-Q757 VanDerWaalsContact O-O 3.14Å | ||
| 756 | T | 39.8 | Very low | 53.7 | Low | 117.333 Ų | 117.333 | 104 Ų | 104 | 72% | 0.72 | 55% | 0.549 | S | S | * | . | trans | -85 | 1.4 | 169.3 | 52.5 | 0 | 0 | 0 | 0 | 112.8 | I754 P758 W764 | I754-T756 HydrophobicContact CB-CG2 4.3Å; I754-T756 HydrophobicContact CG2-CG2 3.76Å; I754-T756 PolarHBondContact O-N 2.94Å; T756-P758 WeakPolarHBondContact O-CD 3.33Å; T756-W764 WeakPolarHBondContact O-CZ2 3.14Å | ||
| 757 | Q | 37.6 | Very low | 52.2 | Low | 156.667 Ų | 156.667 | 107.3 Ų | 107.3 | 73% | 0.732 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -79.2 | 124.2 | 163.3 | -69.4 | -173.7 | 24.7 | 0 | 0 | 108.6 | L755 N759 | L755-Q757 VanDerWaalsContact C-N 3.29Å; L755-Q757 CarbonylContact C-O 3.58Å; L755-Q757 PolarHBondContact O-N 2.92Å; L755-Q757 VanDerWaalsContact O-O 3.14Å; Q757-N759 PolarHBondContact O-N 3.07Å |
| 758 | P | 37 | Very low | 50.6 | Low | 46.6667 Ų | 46.6667 | 108.1 Ų | 108.1 | 30% | 0.303 | 57% | 0.567 | S | S | . | * | trans | -66.9 | 138.4 | 176.1 | 29 | -34 | 0 | 0 | 0 | 109.2 | T756 Q760 W764 | T756-P758 WeakPolarHBondContact O-CD 3.33Å; P758-Q760 WeakPolarHBondContact CB-O 3.3Å; P758-Q760 WeakPolarHBondContact CG-O 3.36Å; P758-Q760 CarbonylContact O-C 3.5Å; P758-Q760 PolarHBondContact O-N 3.17Å; P758-W764 HydrophobicContact CB-CB 4.46Å; P758-W764 HydrophobicContact CB-CE3 4.34Å; P758-W764 HydrophobicContact CB-CG 4.2Å; P758-W764 VanDerWaalsContact CD-CD1 3.43Å; P758-W764 VanDerWaalsContact CD-CG 3.47Å; P758-W764 HydrophobicContact CG-CB 3.65Å; P758-W764 HydrophobicContact CG-CD2 3.75Å; P758-W764 HydrophobicContact CG-CE3 3.65Å; P758-W764 HydrophobicContact CG-CG 3.86Å | ||
| 759 | N | 43.6 | Very low | 49.4 | Very low | 160.667 Ų | 160.667 | 111.8 Ų | 111.8 | 86% | 0.859 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -63.9 | 6.7 | 170.4 | -80.3 | -24.6 | 0 | 0 | 0 | 113.5 | Q757 | Q757-N759 PolarHBondContact O-N 3.07Š|
| 760 | Q | 41.5 | Very low | 47.9 | Very low | 112.667 Ų | 112.667 | 112.4 Ų | 112.4 | 53% | 0.526 | 59% | 0.588 | S | S | . | * | trans | -139.3 | 107.2 | 164.7 | -76.9 | -170 | -53.1 | 0 | 0 | 110.2 | P758 D762 S763 W764 | P758-Q760 WeakPolarHBondContact CB-O 3.3Å; P758-Q760 WeakPolarHBondContact CG-O 3.36Å; P758-Q760 CarbonylContact O-C 3.5Å; P758-Q760 PolarHBondContact O-N 3.17Å; Q760-D762 VanDerWaalsContact C-N 3.26Å; Q760-D762 PolarHBondContact O-N 3.1Å; Q760-S763 VanDerWaalsContact CB-OG 3.25Å; Q760-S763 WeakPolarHBondContact CB-OG 3.2Å; Q760-S763 WeakPolarHBondContact O-CA 3.36Å; Q760-S763 WeakPolarHBondContact O-CB 3.26Å; Q760-S763 PolarHBondContact O-N 3.03Å; Q760-S763 VanDerWaalsContact O-N 3.08Å; Q760-S763 PolarHBondContact OE1-OG 2.89Å; Q760-W764 PolarHBondContact O-N 3.3Å | ||
| 761 | P | 47.8 | Very low | 47.1 | Very low | 97 Ų | 97 | 116 Ų | 116 | 63% | 0.63 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.8 | -25.3 | 176.4 | 22.4 | -28.8 | 0 | 0 | 0 | 112.7 | S763 K765 | P761-S763 PolarHBondContact O-N 2.88Å; P761-K765 PolarHBondContact O-N 2.77Å |
| 762 | D | 51.4 | Low | 47 | Very low | 112.333 Ų | 112.333 | 120.2 Ų | 120.2 | 60% | 0.601 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.9 | -25.8 | 173.4 | -66.2 | -36.4 | 0 | 0 | 0 | 112.3 | Q760 K765 L766 | Q760-D762 VanDerWaalsContact C-N 3.26Å; Q760-D762 PolarHBondContact O-N 3.1Å; D762-K765 CarbonylContact O-C 3.53Å; D762-K765 WeakPolarHBondContact O-CB 3.36Å; D762-K765 PolarHBondContact O-N 3.37Å; D762-L766 VanDerWaalsContact O-CB 3.3Å; D762-L766 WeakPolarHBondContact O-CB 3.2Å; D762-L766 PolarHBondContact O-N 3.05Å |
| 763 | S | 42.2 | Very low | 47 | Very low | 35.6667 Ų | 35.6667 | 117.9 Ų | 117.9 | 25% | 0.249 | 59% | 0.585 | C | S | . | * | H | α-helix | trans | -82.3 | -27.8 | 179.2 | -50.9 | 0 | 0 | 0 | 0 | 112.6 | Q760 P761 L766 I767 | Q760-S763 VanDerWaalsContact CB-OG 3.25Å; Q760-S763 WeakPolarHBondContact CB-OG 3.2Å; Q760-S763 WeakPolarHBondContact O-CA 3.36Å; Q760-S763 WeakPolarHBondContact O-CB 3.26Å; Q760-S763 PolarHBondContact O-N 3.03Å; Q760-S763 VanDerWaalsContact O-N 3.08Å; Q760-S763 PolarHBondContact OE1-OG 2.89Å; P761-S763 PolarHBondContact O-N 2.88Å; S763-L766 PolarHBondContact O-N 2.99Å; S763-I767 WeakPolarHBondContact O-CB 3.41Å; S763-I767 VanDerWaalsContact O-CD1 3.32Å; S763-I767 WeakPolarHBondContact O-CD1 3.3Å; S763-I767 WeakPolarHBondContact O-CG1 3.3Å; S763-I767 PolarHBondContact O-N 3.31Å |
| 764 | W | 49.2 | Very low | 47 | Very low | 135 Ų | 135 | 117 Ų | 117 | 51% | 0.511 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -77.7 | -29.3 | 166.3 | -136.5 | -73.8 | 0 | 0 | 0 | 112.7 | T756 P758 Q760 L766 I767 K768 | T756-W764 WeakPolarHBondContact O-CZ2 3.14Å; P758-W764 HydrophobicContact CB-CB 4.46Å; P758-W764 HydrophobicContact CB-CE3 4.34Å; P758-W764 HydrophobicContact CB-CG 4.2Å; P758-W764 VanDerWaalsContact CD-CD1 3.43Å; P758-W764 VanDerWaalsContact CD-CG 3.47Å; P758-W764 HydrophobicContact CG-CB 3.65Å; P758-W764 HydrophobicContact CG-CD2 3.75Å; P758-W764 HydrophobicContact CG-CE3 3.65Å; P758-W764 HydrophobicContact CG-CG 3.86Å; Q760-W764 PolarHBondContact O-N 3.3Å; W764-L766 VanDerWaalsContact C-N 3.34Å; W764-I767 PolarHBondContact O-N 2.9Å; W764-K768 WeakPolarHBondContact O-CB 3.32Å; W764-K768 VanDerWaalsContact O-CG 3.25Å; W764-K768 WeakPolarHBondContact O-CG 3.29Å; W764-K768 PolarHBondContact O-N 2.91Å |
| 765 | K | 59.2 | Low | 46.9 | Very low | 133 Ų | 133 | 118.1 Ų | 118.1 | 58% | 0.578 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.3 | -40.5 | 164 | -85.1 | -177 | 176.4 | 176.1 | 0 | 111.5 | P761 D762 E769 | P761-K765 PolarHBondContact O-N 2.77Å; D762-K765 CarbonylContact O-C 3.53Å; D762-K765 WeakPolarHBondContact O-CB 3.36Å; D762-K765 PolarHBondContact O-N 3.37Å; K765-E769 VanDerWaalsContact O-CA 3.31Å; K765-E769 WeakPolarHBondContact O-CA 3.48Å; K765-E769 VanDerWaalsContact O-CB 3.23Å; K765-E769 WeakPolarHBondContact O-CB 3.38Å; K765-E769 VanDerWaalsContact O-CG 3.3Å; K765-E769 WeakPolarHBondContact O-CG 3.38Å; K765-E769 PolarHBondContact O-N 2.78Å |
| 766 | L | 56.9 | Low | 46.6 | Very low | 99.3333 Ų | 99.3333 | 117.3 Ų | 117.3 | 52% | 0.52 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.9 | -41.4 | 177.1 | -135.7 | 80.3 | 0 | 0 | 0 | 111.7 | D762 S763 W764 E769 M770 | D762-L766 VanDerWaalsContact O-CB 3.3Å; D762-L766 WeakPolarHBondContact O-CB 3.2Å; D762-L766 PolarHBondContact O-N 3.05Å; S763-L766 PolarHBondContact O-N 2.99Å; W764-L766 VanDerWaalsContact C-N 3.34Å; L766-E769 CarbonylContact O-C 3.59Å; L766-E769 PolarHBondContact O-N 2.96Å; L766-M770 HydrophobicContact CD2-SD 4.22Å; L766-M770 HydrophobicContact CG-SD 4.19Å; L766-M770 VanDerWaalsContact O-CB 3.23Å; L766-M770 WeakPolarHBondContact O-CB 3.24Å; L766-M770 WeakPolarHBondContact O-CG 3.44Å; L766-M770 PolarHBondContact O-N 3.13Å |
| 767 | I | 57.4 | Low | 46.3 | Very low | 74.3333 Ų | 74.3333 | 117.8 Ų | 117.8 | 38% | 0.381 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.2 | -46.2 | 176.6 | -69.1 | 162.1 | 0 | 0 | 0 | 110.6 | S763 W764 E769 M770 E771 | S763-I767 WeakPolarHBondContact O-CB 3.41Å; S763-I767 VanDerWaalsContact O-CD1 3.32Å; S763-I767 WeakPolarHBondContact O-CD1 3.3Å; S763-I767 WeakPolarHBondContact O-CG1 3.3Å; S763-I767 PolarHBondContact O-N 3.31Å; W764-I767 PolarHBondContact O-N 2.9Å; I767-E769 PolarHBondContact O-N 2.93Å; I767-M770 CarbonylContact O-C 3.52Å; I767-M770 PolarHBondContact O-N 2.85Å; I767-M770 VanDerWaalsContact O-N 3.13Å; I767-E771 HydrophobicContact CG2-CG 4.35Å; I767-E771 WeakPolarHBondContact CG2-OE1 3.28Å; I767-E771 WeakPolarHBondContact O-CB 3.33Å; I767-E771 WeakPolarHBondContact O-CG 3.37Å; I767-E771 PolarHBondContact O-N 3.11Å |
| 768 | K | 57.3 | Low | 46.1 | Very low | 113 Ų | 113 | 114.4 Ų | 114.4 | 49% | 0.491 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.2 | -40.9 | 172.2 | -87.7 | -174.2 | 156.5 | -144.5 | 0 | 112.9 | W764 M770 E771 E772 | W764-K768 WeakPolarHBondContact O-CB 3.32Å; W764-K768 VanDerWaalsContact O-CG 3.25Å; W764-K768 WeakPolarHBondContact O-CG 3.29Å; W764-K768 PolarHBondContact O-N 2.91Å; K768-M770 VanDerWaalsContact C-N 3.27Å; K768-M770 PolarHBondContact O-N 3.1Å; K768-M770 VanDerWaalsContact O-N 3.13Å; K768-E771 PolarHBondContact O-N 2.81Å; K768-E772 HydrophobicContact CB-CG 4.37Å; K768-E772 IonicContact NZ-OE1 3.59Å; K768-E772 PolarHBondContact NZ-OE1 2.83Å; K768-E772 VanDerWaalsContact O-CA 3.29Å; K768-E772 WeakPolarHBondContact O-CA 3.45Å; K768-E772 VanDerWaalsContact O-CB 3.31Å; K768-E772 WeakPolarHBondContact O-CB 3.21Å; K768-E772 WeakPolarHBondContact O-CG 3.35Å; K768-E772 PolarHBondContact O-N 2.84Å |
| 769 | E | 59.7 | Low | 46 | Very low | 91.6667 Ų | 91.6667 | 121.4 Ų | 121.4 | 43% | 0.428 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -71.9 | -11.2 | 173.9 | -75.5 | -176.5 | -166.1 | 0 | 0 | 112.8 | K765 L766 I767 K773 | K765-E769 VanDerWaalsContact O-CA 3.31Å; K765-E769 WeakPolarHBondContact O-CA 3.48Å; K765-E769 VanDerWaalsContact O-CB 3.23Å; K765-E769 WeakPolarHBondContact O-CB 3.38Å; K765-E769 VanDerWaalsContact O-CG 3.3Å; K765-E769 WeakPolarHBondContact O-CG 3.38Å; K765-E769 PolarHBondContact O-N 2.78Å; L766-E769 CarbonylContact O-C 3.59Å; L766-E769 PolarHBondContact O-N 2.96Å; I767-E769 PolarHBondContact O-N 2.93Å; E769-K773 HydrophobicContact CB-CD 4.29Å; E769-K773 HydrophobicContact CB-CG 4.39Å; E769-K773 VanDerWaalsContact O-CB 3.23Å; E769-K773 WeakPolarHBondContact O-CB 3.08Å; E769-K773 VanDerWaalsContact O-CD 3.24Å; E769-K773 WeakPolarHBondContact O-CD 3.25Å; E769-K773 WeakPolarHBondContact O-CG 3.42Å; E769-K773 PolarHBondContact O-N 2.97Å; E769-K773 WeakPolarHBondContact OE2-CE 3.14Å; E769-K773 IonicContact OE2-NZ 3.07Å; E769-K773 PolarHBondContact OE2-NZ 3.33Å |
| 770 | M | 47.2 | Very low | 45.6 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 57% | 0.567 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -95.7 | -35.1 | 172.6 | -76.6 | 172.3 | 68.6 | 0 | 0 | 111.2 | L766 I767 K768 K773 Q774 | L766-M770 HydrophobicContact CD2-SD 4.22Å; L766-M770 HydrophobicContact CG-SD 4.19Å; L766-M770 VanDerWaalsContact O-CB 3.23Å; L766-M770 WeakPolarHBondContact O-CB 3.24Å; L766-M770 WeakPolarHBondContact O-CG 3.44Å; L766-M770 PolarHBondContact O-N 3.13Å; I767-M770 CarbonylContact O-C 3.52Å; I767-M770 PolarHBondContact O-N 2.85Å; I767-M770 VanDerWaalsContact O-N 3.13Å; K768-M770 VanDerWaalsContact C-N 3.27Å; K768-M770 PolarHBondContact O-N 3.1Å; K768-M770 VanDerWaalsContact O-N 3.13Å; M770-K773 PolarHBondContact O-N 2.72Å; M770-Q774 WeakPolarHBondContact O-CA 3.43Å; M770-Q774 WeakPolarHBondContact O-CB 3.37Å; M770-Q774 PolarHBondContact O-N 3.2Å; M770-Q774 VanDerWaalsContact O-N 3.14Å |
| 771 | E | 46.7 | Very low | 45.3 | Very low | 118.667 Ų | 118.667 | 125.8 Ų | 125.8 | 56% | 0.555 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.5 | -47.5 | 171.5 | -70.7 | 169.7 | 164.9 | 0 | 0 | 111 | I767 K768 K773 Q774 E775 | I767-E771 HydrophobicContact CG2-CG 4.35Å; I767-E771 WeakPolarHBondContact CG2-OE1 3.28Å; I767-E771 WeakPolarHBondContact O-CB 3.33Å; I767-E771 WeakPolarHBondContact O-CG 3.37Å; I767-E771 PolarHBondContact O-N 3.11Å; K768-E771 PolarHBondContact O-N 2.81Å; E771-K773 VanDerWaalsContact C-N 3.29Å; E771-K773 PolarHBondContact O-N 2.98Å; E771-Q774 PolarHBondContact O-N 2.8Å; E771-Q774 VanDerWaalsContact O-N 3.09Å; E771-E775 PolarHBondContact O-N 2.92Å |
| 772 | E | 48.6 | Very low | 44.7 | Very low | 142.333 Ų | 142.333 | 127.8 Ų | 127.8 | 67% | 0.665 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -15.4 | 173.1 | -73.2 | -180 | 160.5 | 0 | 0 | 113.5 | K768 | K768-E772 HydrophobicContact CB-CG 4.37Å; K768-E772 IonicContact NZ-OE1 3.59Å; K768-E772 PolarHBondContact NZ-OE1 2.83Å; K768-E772 VanDerWaalsContact O-CA 3.29Å; K768-E772 WeakPolarHBondContact O-CA 3.45Å; K768-E772 VanDerWaalsContact O-CB 3.31Å; K768-E772 WeakPolarHBondContact O-CB 3.21Å; K768-E772 WeakPolarHBondContact O-CG 3.35Å; K768-E772 PolarHBondContact O-N 2.84Å |
| 773 | K | 46.2 | Very low | 44.3 | Very low | 135.667 Ų | 135.667 | 127.9 Ų | 127.9 | 59% | 0.59 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -3.3 | 171.5 | -71.3 | 179.1 | -168.9 | 152.2 | 0 | 113.8 | E769 M770 E771 L776 | E769-K773 HydrophobicContact CB-CD 4.29Å; E769-K773 HydrophobicContact CB-CG 4.39Å; E769-K773 VanDerWaalsContact O-CB 3.23Å; E769-K773 WeakPolarHBondContact O-CB 3.08Å; E769-K773 VanDerWaalsContact O-CD 3.24Å; E769-K773 WeakPolarHBondContact O-CD 3.25Å; E769-K773 WeakPolarHBondContact O-CG 3.42Å; E769-K773 PolarHBondContact O-N 2.97Å; E769-K773 WeakPolarHBondContact OE2-CE 3.14Å; E769-K773 IonicContact OE2-NZ 3.07Å; E769-K773 PolarHBondContact OE2-NZ 3.33Å; M770-K773 PolarHBondContact O-N 2.72Å; E771-K773 VanDerWaalsContact C-N 3.29Å; E771-K773 PolarHBondContact O-N 2.98Å; K773-L776 WeakPolarHBondContact O-CG 3.49Å |
| 774 | Q | 41 | Very low | 44.5 | Very low | 161.667 Ų | 161.667 | 134.4 Ų | 134.4 | 76% | 0.755 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -11 | 176 | -137.4 | 171.4 | 0.3 | 0 | 0 | 113.1 | M770 E771 L776 | M770-Q774 WeakPolarHBondContact O-CA 3.43Å; M770-Q774 WeakPolarHBondContact O-CB 3.37Å; M770-Q774 PolarHBondContact O-N 3.2Å; M770-Q774 VanDerWaalsContact O-N 3.14Å; E771-Q774 PolarHBondContact O-N 2.8Å; E771-Q774 VanDerWaalsContact O-N 3.09Å; Q774-L776 VanDerWaalsContact C-N 3.28Å; Q774-L776 PolarHBondContact O-N 2.95Å |
| 775 | E | 34.8 | Very low | 44.8 | Very low | 172.333 Ų | 172.333 | 129.5 Ų | 129.5 | 81% | 0.805 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 50.1 | 160.5 | -70.4 | -165.7 | 158 | 0 | 0 | 112.5 | E771 P777 | E771-E775 PolarHBondContact O-N 2.92Å; E775-P777 WeakPolarHBondContact O-CD 3.37Å |
| 776 | L | 32.6 | Very low | 45.5 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 70% | 0.696 | 64% | 0.641 | S | S | * | * | trans | -100 | 135.9 | 163.8 | -83.7 | 156.8 | 0 | 0 | 0 | 108.2 | K773 Q774 A778 | K773-L776 WeakPolarHBondContact O-CG 3.49Å; Q774-L776 VanDerWaalsContact C-N 3.28Å; Q774-L776 PolarHBondContact O-N 2.95Å; L776-A778 PolarHBondContact O-N 2.96Å | ||
| 777 | P | 34.1 | Very low | 46.8 | Very low | 127 Ų | 127 | 124.2 Ų | 124.2 | 83% | 0.825 | 64% | 0.637 | S | S | * | * | trans | -69.1 | 94.4 | 174.9 | 29.3 | -31.5 | 0 | 0 | 0 | 108.1 | E775 E779 | E775-P777 WeakPolarHBondContact O-CD 3.37Å; P777-E779 PolarHBondContact O-N 2.86Å | ||
| 778 | A | 33 | Very low | 48.3 | Very low | 86 Ų | 86 | 120.9 Ų | 120.9 | 71% | 0.711 | 62% | 0.62 | S | S | * | * | trans | -77.5 | 120.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | L776 E780 | L776-A778 PolarHBondContact O-N 2.96Å; A778-E780 PolarHBondContact O-N 3.24Å | ||
| 779 | E | 35.5 | Very low | 49.8 | Very low | 193.333 Ų | 193.333 | 120 Ų | 120 | 90% | 0.903 | 62% | 0.617 | S | S | * | * | trans | -51.7 | 126.5 | 169.6 | -67.5 | 174.4 | 136.6 | 0 | 0 | 109.1 | P777 E781 | P777-E779 PolarHBondContact O-N 2.86Å; E779-E781 PolarHBondContact O-N 3.03Å; E779-E781 VanDerWaalsContact O-N 3.16Å | ||
| 780 | E | 34.3 | Very low | 51.3 | Low | 180.333 Ų | 180.333 | 116.5 Ų | 116.5 | 84% | 0.843 | 60% | 0.601 | S | S | * | * | trans | -65.6 | 106.6 | 178.6 | -69.4 | -179.3 | 153.7 | 0 | 0 | 110.2 | A778 I782 | A778-E780 PolarHBondContact O-N 3.24Å; E780-I782 HydrophobicContact CB-CG1 3.87Å; E780-I782 PolarHBondContact O-N 3.26Å | ||
| 781 | E | 35.8 | Very low | 53.3 | Low | 184.333 Ų | 184.333 | 114.3 Ų | 114.3 | 86% | 0.861 | 59% | 0.593 | S | S | * | * | trans | -65.5 | 106.2 | 152.7 | -90.6 | -166.5 | 153.1 | 0 | 0 | 108 | E779 V783 | E779-E781 PolarHBondContact O-N 3.03Å; E779-E781 VanDerWaalsContact O-N 3.16Å; E781-V783 PolarHBondContact O-N 3.06Å; E781-V783 VanDerWaalsContact O-N 3.14Å | ||
| 782 | I | 35.2 | Very low | 55.3 | Low | 140.333 Ų | 140.333 | 112.2 Ų | 112.2 | 72% | 0.72 | 58% | 0.584 | S | S | * | * | trans | -66.7 | 94.7 | 170.5 | -56.7 | 169.9 | 0 | 0 | 0 | 107.4 | E780 E784 | E780-I782 HydrophobicContact CB-CG1 3.87Å; E780-I782 PolarHBondContact O-N 3.26Å; I782-E784 HydrophobicContact CG2-CG 4.02Å; I782-E784 PolarHBondContact O-N 3.03Å | ||
| 783 | V | 43.2 | Very low | 57.3 | Low | 113.667 Ų | 113.667 | 108.3 Ų | 108.3 | 69% | 0.689 | 57% | 0.571 | S | S | * | * | trans | -73.6 | 104.8 | 161.3 | -178 | 0 | 0 | 0 | 0 | 106.5 | E781 T785 | E781-V783 PolarHBondContact O-N 3.06Å; E781-V783 VanDerWaalsContact O-N 3.14Å; V783-T785 HydrophobicContact CG1-CG2 4.31Å; V783-T785 PolarHBondContact O-N 2.87Å | ||
| 784 | E | 47.6 | Very low | 59.4 | Low | 173.333 Ų | 173.333 | 102.5 Ų | 102.5 | 81% | 0.81 | 55% | 0.546 | S | S | * | . | trans | -60.7 | 105.3 | 171.8 | -72.7 | -176.8 | 151.5 | 0 | 0 | 108.6 | I782 A786 | I782-E784 HydrophobicContact CG2-CG 4.02Å; I782-E784 PolarHBondContact O-N 3.03Å; E784-A786 PolarHBondContact O-N 2.89Å | ||
| 785 | T | 55.6 | Low | 61.3 | Low | 31.6667 Ų | 31.6667 | 98.9 Ų | 98.9 | 19% | 0.194 | 54% | 0.539 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 133.9 | 177 | 49.1 | 0 | 0 | 0 | 0 | 108.7 | V783 D817 K868 N869 | V783-T785 HydrophobicContact CG1-CG2 4.31Å; V783-T785 PolarHBondContact O-N 2.87Å; T785-D817 WeakPolarHBondContact CB-OD2 3.4Å; T785-D817 HydrophobicContact CG2-CB 4.22Å; T785-D817 PolarHBondContact OG1-OD2 3Å; T785-K868 WeakPolarHBondContact OG1-CE 3.29Å; T785-N869 VanDerWaalsContact C-ND2 3.33Å; T785-N869 VanDerWaalsContact O-CB 3.3Å; T785-N869 WeakPolarHBondContact O-CB 3.29Å; T785-N869 PolarHBondContact O-ND2 3.07Å; T785-N869 PolarHBondContact O-OD1 2.78Å; T785-N869 PolarHBondContact OG1-ND2 2.98Å |
| 786 | A | 73.7 | Confident | 63.6 | Low | 54 Ų | 54 | 93.3 Ų | 93.3 | 45% | 0.446 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 155.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | E784 P814 N867 | E784-A786 PolarHBondContact O-N 2.89Å; A786-P814 WeakPolarHBondContact O-CD 3.24Å; A786-P814 VanDerWaalsContact O-CG 3.31Å; A786-P814 WeakPolarHBondContact O-CG 3.09Å; A786-N867 PolarHBondContact O-ND2 2.97Å |
| 787 | P | 83.5 | Confident | 66.1 | Low | 67 Ų | 67 | 95.4 Ų | 95.4 | 44% | 0.435 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 145.2 | 167.2 | 25.6 | -34.8 | 0 | 0 | 0 | 109.9 | H789 | P787-H789 PolarHBondContact O-N 2.84Š|
| 788 | P | 87.6 | Confident | 68.7 | Low | 4 Ų | 4 | 92.2 Ų | 92.2 | 3% | 0.026 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 143.9 | 178.2 | 28.9 | -33.6 | 0 | 0 | 0 | 108.6 | F812 A813 A865 N867 G870 D872 | P788-F812 HydrophobicContact CB-CD2 4.17Å; P788-A813 CarbonylContact C-O 3.53Å; P788-A813 VanDerWaalsContact CA-O 3.29Å; P788-A813 WeakPolarHBondContact CA-O 3.4Å; P788-A865 HydrophobicContact CB-CB 3.94Å; P788-A865 HydrophobicContact CG-CB 4.21Å; P788-A865 VanDerWaalsContact CG-O 3.31Å; P788-A865 WeakPolarHBondContact CG-O 3.24Å; P788-N867 VanDerWaalsContact CD-CG 3.48Å; P788-N867 VanDerWaalsContact CD-OD1 3.25Å; P788-N867 WeakPolarHBondContact CD-OD1 3.34Å; P788-G870 VanDerWaalsContact CD-O 3.3Å; P788-G870 WeakPolarHBondContact CD-O 3.4Å; P788-D872 WeakPolarHBondContact O-CB 3.39Å |
| 789 | H | 90.2 | Very high | 71.3 | Confident | 95.3333 Ų | 95.3333 | 91.5 Ų | 91.5 | 44% | 0.441 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 137.2 | 172.9 | 67.3 | -74.9 | 0 | 0 | 0 | 109.3 | P787 V791 F812 A813 D872 | P787-H789 PolarHBondContact O-N 2.84Å; H789-V791 PolarHBondContact O-N 2.9Å; H789-V791 VanDerWaalsContact O-N 3.12Å; H789-F812 CarbonylContact O-C 3.39Å; H789-F812 WeakPolarHBondContact O-CA 3.33Å; H789-F812 WeakPolarHBondContact O-CB 3.22Å; H789-A813 PolarHBondContact CE1-O 2.82Å; H789-A813 PolarHBondContact N-O 2.82Å; H789-A813 PolarHBondContact ND1-O 2.91Å; H789-A813 PolarHBondContact O-N 2.99Å; H789-D872 VanDerWaalsContact CA-OD2 3.28Å; H789-D872 WeakPolarHBondContact CA-OD2 3.38Å |
| 790 | F | 91.5 | Very high | 73.8 | Confident | 17.3333 Ų | 17.3333 | 83 Ų | 83 | 8% | 0.076 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 110.5 | 178 | -76.7 | -81.4 | 0 | 0 | 0 | 111 | Q792 P793 C810 Q811 F812 C863 A865 D872 T874 | F790-Q792 VanDerWaalsContact C-N 3.32Å; F790-P793 HydrophobicContact CB-CB 4.12Å; F790-C810 HydrophobicContact CD1-CB 3.98Å; F790-C810 HydrophobicContact CE1-CB 4.09Å; F790-C810 VanDerWaalsContact CE1-SG 3.54Å; F790-Q811 CarbonylContact C-O 3.58Å; F790-Q811 VanDerWaalsContact C-O 3.27Å; F790-Q811 VanDerWaalsContact CA-O 3.3Å; F790-Q811 WeakPolarHBondContact CA-O 3.34Å; F790-Q811 VanDerWaalsContact CD1-O 3.29Å; F790-Q811 WeakPolarHBondContact CD1-O 3.25Å; F790-F812 HydrophobicContact CD1-CB 4.01Å; F790-F812 HydrophobicContact CE1-CB 4.11Å; F790-F812 HydrophobicContact CE1-CD1 4.33Å; F790-F812 HydrophobicContact CG-CB 4.39Å; F790-F812 HydrophobicContact CZ-CB 4.49Å; F790-C863 HydrophobicContact CE1-CB 4.34Å; F790-C863 HydrophobicContact CZ-CB 4.25Å; F790-A865 HydrophobicContact CE2-CB 4.15Å; F790-A865 HydrophobicContact CZ-CB 3.88Å; F790-D872 HydrophobicContact CD2-CB 4.06Å; F790-D872 WeakPolarHBondContact CD2-OD2 3.46Å; F790-D872 HydrophobicContact CE2-CB 4.32Å; F790-D872 WeakPolarHBondContact CE2-O 3.31Å; F790-D872 PolarHBondContact N-OD2 2.9Å; F790-T874 HydrophobicContact CD1-CG2 3.6Å; F790-T874 HydrophobicContact CD2-CG2 3.89Å; F790-T874 HydrophobicContact CE1-CG2 3.58Å; F790-T874 HydrophobicContact CE2-CG2 3.87Å; F790-T874 HydrophobicContact CG-CG2 3.77Å; F790-T874 HydrophobicContact CZ-CG2 3.73Å |
| 791 | V | 88.4 | Confident | 76.1 | Confident | 68.6667 Ų | 68.6667 | 79.2 Ų | 79.2 | 42% | 0.416 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | -30.5 | 176.2 | -142.6 | 0 | 0 | 0 | 0 | 111.2 | F448 F450 H789 Q811 A813 | F448-V791 HydrophobicContact CB-CB 4.43Å; F448-V791 HydrophobicContact CD1-CB 3.9Å; F448-V791 HydrophobicContact CD1-CG2 4Å; F450-V791 HydrophobicContact CE2-CG1 4.29Å; H789-V791 PolarHBondContact O-N 2.9Å; H789-V791 VanDerWaalsContact O-N 3.12Å; V791-Q811 HydrophobicContact CG2-CB 4.4Å; V791-Q811 PolarHBondContact N-O 2.82Å; V791-A813 HydrophobicContact CG2-CB 3.84Å |
| 792 | Q | 87.8 | Confident | 78.4 | Confident | 75.3333 Ų | 75.3333 | 73.2 Ų | 73.2 | 35% | 0.352 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 88.2 | 171.6 | 179.8 | -172.5 | 12 | 0 | 0 | 108.8 | D447 F448 F790 L794 C810 Q811 | D447-Q792 PolarHBondContact OD1-OE1 3.12Å; F448-Q792 VanDerWaalsContact CA-CB 3.43Å; F448-Q792 HydrophobicContact CB-CB 3.92Å; F448-Q792 VanDerWaalsContact CD1-CA 3.46Å; F448-Q792 HydrophobicContact CD1-CB 3.26Å; F448-Q792 HydrophobicContact CD1-CG 4.35Å; F448-Q792 HydrophobicContact CD2-CB 4.21Å; F448-Q792 HydrophobicContact CE1-CB 3.17Å; F448-Q792 HydrophobicContact CE1-CG 3.98Å; F448-Q792 WeakPolarHBondContact CE1-O 3.23Å; F448-Q792 HydrophobicContact CE2-CB 4.21Å; F448-Q792 HydrophobicContact CE2-CG 4.33Å; F448-Q792 HydrophobicContact CG-CB 3.61Å; F448-Q792 HydrophobicContact CG-CG 4.44Å; F448-Q792 VanDerWaalsContact CG-OE1 3.22Å; F448-Q792 HydrophobicContact CZ-CB 3.41Å; F448-Q792 VanDerWaalsContact CZ-CB 3.41Å; F448-Q792 HydrophobicContact CZ-CG 3.66Å; F448-Q792 WeakPolarHBondContact CZ-O 3.26Å; F448-Q792 VanDerWaalsContact N-CD 3.28Å; F790-Q792 VanDerWaalsContact C-N 3.32Å; Q792-L794 PolarHBondContact O-N 3.43Å; Q792-C810 CarbonylContact O-C 3.48Å; Q792-C810 WeakPolarHBondContact O-CA 3.38Å; Q792-C810 WeakPolarHBondContact O-CB 3.43Å; Q792-Q811 HydrophobicContact CB-CB 3.88Å; Q792-Q811 HydrophobicContact CB-CG 4.12Å; Q792-Q811 PolarHBondContact N-O 2.76Å; Q792-Q811 VanDerWaalsContact N-O 3.1Å; Q792-Q811 PolarHBondContact O-N 2.89Å |
| 793 | P | 91.1 | Very high | 80.4 | Confident | 59.3333 Ų | 59.3333 | 68.4 Ų | 68.4 | 39% | 0.385 | 40% | 0.396 | S | S | . | . | trans | -69.4 | 147.1 | 178.7 | 28.2 | -34.7 | 0 | 0 | 0 | 112 | Q421 F790 T874 | Q421-P793 VanDerWaalsContact NE2-CD 3.33Å; F790-P793 HydrophobicContact CB-CB 4.12Å; P793-T874 VanDerWaalsContact C-OG1 3.22Å; P793-T874 WeakPolarHBondContact CA-OG1 3.3Å; P793-T874 VanDerWaalsContact CB-OG1 3.25Å; P793-T874 WeakPolarHBondContact CB-OG1 3.36Å | ||
| 794 | L | 90.4 | Very high | 82.3 | Confident | 14.3333 Ų | 14.3333 | 66.8 Ų | 66.8 | 8% | 0.075 | 38% | 0.381 | C | S | . | . | trans | -55.4 | 136.2 | 157 | -57.6 | 174.7 | 0 | 0 | 0 | 109.5 | Q792 F808 S809 C810 W824 C863 T874 S875 I876 | Q792-L794 PolarHBondContact O-N 3.43Å; L794-F808 HydrophobicContact CD1-CB 4.49Å; L794-F808 HydrophobicContact CD2-CB 3.98Å; L794-S809 VanDerWaalsContact CD2-O 3.31Å; L794-S809 WeakPolarHBondContact CD2-O 3.35Å; L794-C810 HydrophobicContact CD2-CB 3.98Å; L794-C810 HydrophobicContact CG-CB 3.87Å; L794-W824 HydrophobicContact CD1-CH2 3.52Å; L794-W824 VanDerWaalsContact CD1-CH2 3.46Å; L794-W824 HydrophobicContact CD1-CZ3 3.56Å; L794-W824 VanDerWaalsContact CD1-CZ3 3.45Å; L794-W824 HydrophobicContact CD2-CH2 4.34Å; L794-W824 HydrophobicContact CG-CH2 4.45Å; L794-C863 HydrophobicContact CD1-CB 4.19Å; L794-T874 WeakPolarHBondContact CA-OG1 3.34Å; L794-T874 HydrophobicContact CB-CG2 4.06Å; L794-T874 WeakPolarHBondContact CB-OG1 3.41Å; L794-T874 HydrophobicContact CD1-CG2 3.96Å; L794-T874 HydrophobicContact CG-CG2 3.77Å; L794-T874 PolarHBondContact N-OG1 2.89Å; L794-T874 PolarHBondContact O-OG1 3.04Å; L794-T874 VanDerWaalsContact O-OG1 3.05Å; L794-S875 CarbonylContact C-O 3.53Å; L794-I876 HydrophobicContact CB-CB 4.1Å; L794-I876 HydrophobicContact CB-CG2 4.36Å; L794-I876 HydrophobicContact CD1-CG2 4.12Å | ||
| 795 | S | 80.9 | Confident | 84.2 | Confident | 86 Ų | 86 | 62.2 Ų | 62.2 | 60% | 0.601 | 37% | 0.366 | S | S | * | . | trans | -152.3 | 147.9 | 177.8 | 56 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 796 | G | 82.7 | Confident | 85.8 | Confident | 54 Ų | 54 | 61.2 Ų | 61.2 | 56% | 0.557 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 96.1 | -164.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | I876 G877 | G796-I876 WeakPolarHBondContact O-CG1 3.4Å; G796-G877 PolarHBondContact O-N 2.98Å; G796-G877 VanDerWaalsContact O-N 3.16Å |
| 797 | E | 85.7 | Confident | 86.5 | Confident | 177.333 Ų | 177.333 | 62.2 Ų | 62.2 | 83% | 0.829 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 128.6 | 176.4 | -66.4 | -179.8 | 170.6 | 0 | 0 | 108.4 | G877 | E797-G877 CarbonylContact C-O 3.56Å; E797-G877 WeakPolarHBondContact CA-O 3.38Å |
| 798 | L | 88.5 | Confident | 87 | Confident | 61.3333 Ų | 61.3333 | 59.2 Ų | 59.2 | 32% | 0.321 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 124.3 | 176.9 | -178.2 | 63.7 | 0 | 0 | 0 | 109 | V800 V806 F808 I876 G877 L878 L879 | L798-V800 HydrophobicContact CD1-CG1 4.4Å; L798-V800 HydrophobicContact CD2-CG1 4.22Å; L798-V800 HydrophobicContact CG-CG1 3.99Å; L798-V806 HydrophobicContact CD2-CB 4.35Å; L798-V806 HydrophobicContact CD2-CG1 3.54Å; L798-V806 VanDerWaalsContact CD2-CG1 3.47Å; L798-V806 HydrophobicContact CD2-CG2 3.86Å; L798-F808 HydrophobicContact CB-CE1 4.43Å; L798-F808 HydrophobicContact CD2-CE1 3.89Å; L798-I876 HydrophobicContact CB-CD1 4.43Å; L798-G877 PolarHBondContact N-O 2.95Å; L798-L878 HydrophobicContact CB-CD1 4.19Å; L798-L878 HydrophobicContact CD2-CD1 4.04Å; L798-L878 HydrophobicContact CG-CD1 4.12Å; L798-L878 CarbonylContact O-C 3.57Å; L798-L878 VanDerWaalsContact O-CA 3.31Å; L798-L878 WeakPolarHBondContact O-CA 3.22Å; L798-L879 PolarHBondContact O-N 2.96Å |
| 799 | T | 88.9 | Confident | 87.1 | Confident | 70 Ų | 70 | 61.5 Ų | 61.5 | 43% | 0.429 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.7 | 174.1 | -57.2 | 0 | 0 | 0 | 0 | 109.8 | L879 L881 | T799-L879 CarbonylContact C-O 3.55Å; T799-L879 VanDerWaalsContact CA-O 3.25Å; T799-L879 WeakPolarHBondContact CA-O 3.31Å; T799-L879 HydrophobicContact CG2-CB 4.36Å; T799-L879 HydrophobicContact CG2-CD2 4.12Å; T799-L879 HydrophobicContact CG2-CG 4.29Å; T799-L881 HydrophobicContact CG2-CD1 3.66Å; T799-L881 HydrophobicContact CG2-CD2 4.21Å; T799-L881 HydrophobicContact CG2-CG 3.7Å |
| 800 | V | 86.9 | Confident | 87.2 | Confident | 16.3333 Ų | 16.3333 | 57 Ų | 57 | 10% | 0.099 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 162.9 | -179.9 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | L798 Q804 V806 V853 L878 L879 C880 L881 | L798-V800 HydrophobicContact CD1-CG1 4.4Å; L798-V800 HydrophobicContact CD2-CG1 4.22Å; L798-V800 HydrophobicContact CG-CG1 3.99Å; V800-Q804 HydrophobicContact CB-CB 4.24Å; V800-V806 HydrophobicContact CB-CG2 4.36Å; V800-V806 HydrophobicContact CG1-CG2 3.57Å; V800-V806 HydrophobicContact CG2-CG2 4.14Å; V800-V853 HydrophobicContact CG2-CB 4.01Å; V800-V853 HydrophobicContact CG2-CG1 3.7Å; V800-V853 HydrophobicContact CG2-CG2 4.26Å; V800-L878 HydrophobicContact CG1-CD1 4.38Å; V800-L878 HydrophobicContact CG2-CD1 3.91Å; V800-L879 PolarHBondContact N-O 2.92Å; V800-C880 HydrophobicContact CG2-CB 4.4Å; V800-C880 CarbonylContact O-C 3.59Å; V800-C880 WeakPolarHBondContact O-CA 3.34Å; V800-L881 PolarHBondContact O-N 3.1Å |
| 801 | Q | 82.1 | Confident | 87.1 | Confident | 100.25 Ų | 100.25 | 59.3 Ų | 59.3 | 47% | 0.468 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 151.3 | 168.6 | -67.1 | -150.9 | -16.5 | 0 | 0 | 110.5 | G803 Q804 L881 T883 | Q801-G803 PolarHBondContact O-N 2.96Å; Q801-Q804 HydrophobicContact CB-CG 4.29Å; Q801-Q804 VanDerWaalsContact O-CB 3.29Å; Q801-Q804 WeakPolarHBondContact O-CB 3.31Å; Q801-Q804 WeakPolarHBondContact O-CG 3.39Å; Q801-Q804 PolarHBondContact O-N 3.06Å; Q801-Q804 VanDerWaalsContact O-N 3.15Å; Q801-L881 WeakPolarHBondContact CA-O 3.35Å; Q801-T883 HydrophobicContact CB-CG2 4Å |
| 802 | E | 84.9 | Confident | 87.3 | Confident | 58.5 Ų | 58.5 | 56.5 Ų | 56.5 | 27% | 0.273 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 131.7 | 170.9 | 176.3 | 173.9 | -153.7 | 0 | 0 | 111.4 | V853 P855 C880 L881 T883 | E802-V853 CarbonylContact C-O 3.52Å; E802-V853 VanDerWaalsContact CA-O 3.3Å; E802-V853 WeakPolarHBondContact CA-O 3.39Å; E802-P855 VanDerWaalsContact OE1-CD 3.28Å; E802-P855 WeakPolarHBondContact OE1-CD 3.43Å; E802-C880 VanDerWaalsContact CA-SG 3.56Å; E802-C880 WeakPolarHBondContact CA-SG 3.43Å; E802-C880 PolarHBondContact N-SG 2.87Å; E802-L881 PolarHBondContact N-O 3.15Å; E802-L881 VanDerWaalsContact N-O 3.12Å; E802-T883 HydrophobicContact CB-CG2 4.17Å; E802-T883 WeakPolarHBondContact CB-OG1 3.27Å; E802-T883 WeakPolarHBondContact O-CG2 3.5Å; E802-T883 PolarHBondContact O-OG1 3.21Å; E802-T883 PolarHBondContact OE2-N 3.24Å; E802-T883 PolarHBondContact OE2-OG1 3.03Å |
| 803 | G | 77.6 | Confident | 87.1 | Confident | 38.25 Ų | 38.25 | 54.3 Ų | 54.3 | 39% | 0.394 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | -21 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q801 S852 V853 | Q801-G803 PolarHBondContact O-N 2.96Å; G803-S852 WeakPolarHBondContact CA-OG 3.31Å; G803-S852 WeakPolarHBondContact O-CA 3.47Å; G803-S852 PolarHBondContact O-OG 2.94Å; G803-S852 VanDerWaalsContact O-OG 3.12Å; G803-V853 PolarHBondContact N-O 3.26Å |
| 804 | Q | 81.6 | Confident | 86.8 | Confident | 81.25 Ų | 81.25 | 52.9 Ų | 52.9 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | trans | -71.4 | 142.3 | -178.5 | -69.6 | -83.9 | -61.1 | 0 | 0 | 112.3 | V800 Q801 V853 E972 | V800-Q804 HydrophobicContact CB-CB 4.24Å; Q801-Q804 HydrophobicContact CB-CG 4.29Å; Q801-Q804 VanDerWaalsContact O-CB 3.29Å; Q801-Q804 WeakPolarHBondContact O-CB 3.31Å; Q801-Q804 WeakPolarHBondContact O-CG 3.39Å; Q801-Q804 PolarHBondContact O-N 3.06Å; Q801-Q804 VanDerWaalsContact O-N 3.15Å; Q804-V853 WeakPolarHBondContact O-CB 3.35Å; Q804-V853 VanDerWaalsContact O-CG2 3.24Å; Q804-V853 WeakPolarHBondContact O-CG2 3.35Å; Q804-V853 PolarHBondContact O-N 3Å; Q804-E972 PolarHBondContact NE2-OE1 2.72Å; Q804-E972 PolarHBondContact OE1-OE1 3.24Å | ||
| 805 | P | 88.1 | Confident | 86.1 | Confident | 76 Ų | 76 | 53.9 Ų | 53.9 | 49% | 0.494 | 33% | 0.329 | S | S | . | . | trans | -75.6 | 148.8 | 169.6 | 31 | -32.6 | 0 | 0 | 0 | 111.5 | I850 A851 E972 | P805-I850 CarbonylContact C-O 3.52Å; P805-I850 VanDerWaalsContact CA-O 3.28Å; P805-I850 WeakPolarHBondContact CA-O 3.38Å; P805-A851 WeakPolarHBondContact CB-O 3.27Å; P805-E972 WeakPolarHBondContact CD-OE1 3.34Å; P805-E972 HydrophobicContact CG-CG 3.71Å | ||
| 806 | V | 89.4 | Confident | 85.6 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 6% | 0.061 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 141.7 | 178.1 | 165.5 | 0 | 0 | 0 | 0 | 110.9 | L798 V800 F808 E849 I850 V853 L878 | L798-V806 HydrophobicContact CD2-CB 4.35Å; L798-V806 HydrophobicContact CD2-CG1 3.54Å; L798-V806 VanDerWaalsContact CD2-CG1 3.47Å; L798-V806 HydrophobicContact CD2-CG2 3.86Å; V800-V806 HydrophobicContact CB-CG2 4.36Å; V800-V806 HydrophobicContact CG1-CG2 3.57Å; V800-V806 HydrophobicContact CG2-CG2 4.14Å; V806-F808 HydrophobicContact CG1-CD1 4.1Å; V806-F808 HydrophobicContact CG1-CD2 4.39Å; V806-F808 HydrophobicContact CG1-CE1 3.52Å; V806-F808 VanDerWaalsContact CG1-CE1 3.47Å; V806-F808 HydrophobicContact CG1-CE2 3.95Å; V806-F808 HydrophobicContact CG1-CZ 3.44Å; V806-F808 VanDerWaalsContact CG1-CZ 3.44Å; V806-E849 CarbonylContact O-C 3.53Å; V806-E849 WeakPolarHBondContact O-CA 3.42Å; V806-I850 HydrophobicContact CB-CB 4.43Å; V806-I850 PolarHBondContact N-O 2.94Å; V806-I850 PolarHBondContact O-N 2.96Å; V806-V853 HydrophobicContact CB-CG2 3.8Å; V806-V853 HydrophobicContact CG2-CG2 3.59Å; V806-L878 HydrophobicContact CG1-CD1 4.38Å; V806-L878 HydrophobicContact CG2-CD1 4.22Å |
| 807 | S | 89.6 | Confident | 85.2 | Confident | 75 Ų | 75 | 53.5 Ų | 53.5 | 52% | 0.524 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 133.7 | 173.3 | 57.5 | 0 | 0 | 0 | 0 | 111.8 | L848 | S807-L848 CarbonylContact C-O 3.51Å; S807-L848 VanDerWaalsContact CA-O 3.31Å; S807-L848 WeakPolarHBondContact CA-O 3.34Å |
| 808 | F | 92.5 | Very high | 84.5 | Confident | 3.75 Ų | 3.75 | 51.2 Ų | 51.2 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 121.3 | 174.8 | -55.6 | -53.6 | 0 | 0 | 0 | 110.1 | L794 L798 V806 W824 L847 L848 I850 Y861 I876 L878 | L794-F808 HydrophobicContact CD1-CB 4.49Å; L794-F808 HydrophobicContact CD2-CB 3.98Å; L798-F808 HydrophobicContact CB-CE1 4.43Å; L798-F808 HydrophobicContact CD2-CE1 3.89Å; V806-F808 HydrophobicContact CG1-CD1 4.1Å; V806-F808 HydrophobicContact CG1-CD2 4.39Å; V806-F808 HydrophobicContact CG1-CE1 3.52Å; V806-F808 VanDerWaalsContact CG1-CE1 3.47Å; V806-F808 HydrophobicContact CG1-CE2 3.95Å; V806-F808 HydrophobicContact CG1-CZ 3.44Å; V806-F808 VanDerWaalsContact CG1-CZ 3.44Å; F808-W824 HydrophobicContact CB-CH2 3.85Å; F808-W824 HydrophobicContact CB-CZ3 4.23Å; F808-W824 HydrophobicContact CD2-CZ3 4.32Å; F808-L847 CarbonylContact O-C 3.52Å; F808-L847 VanDerWaalsContact O-CA 3.28Å; F808-L847 WeakPolarHBondContact O-CA 3.28Å; F808-L848 HydrophobicContact CB-CB 4.43Å; F808-L848 HydrophobicContact CD2-CB 4.42Å; F808-L848 HydrophobicContact CD2-CD2 3.99Å; F808-L848 HydrophobicContact CD2-CG 4.27Å; F808-L848 HydrophobicContact CE2-CD2 4.46Å; F808-L848 PolarHBondContact N-O 3.13Å; F808-L848 PolarHBondContact O-N 3Å; F808-I850 HydrophobicContact CE2-CD1 4.15Å; F808-Y861 HydrophobicContact CD2-CD1 4.36Å; F808-Y861 HydrophobicContact CD2-CD2 4.45Å; F808-Y861 HydrophobicContact CD2-CG 4.17Å; F808-Y861 AromaticContact CE2-CD1 3.78Å; F808-Y861 HydrophobicContact CE2-CD1 3.94Å; F808-Y861 AromaticContact CE2-CD2 3.61Å; F808-Y861 HydrophobicContact CE2-CD2 3.61Å; F808-Y861 VanDerWaalsContact CE2-CD2 3.49Å; F808-Y861 HydrophobicContact CE2-CE1 4.31Å; F808-Y861 AromaticContact CE2-CE2 3.9Å; F808-Y861 HydrophobicContact CE2-CE2 3.99Å; F808-Y861 AromaticContact CE2-CG 3.55Å; F808-Y861 HydrophobicContact CE2-CG 3.67Å; F808-Y861 VanDerWaalsContact CE2-CG 3.47Å; F808-Y861 AromaticContact CZ-CD2 3.78Å; F808-Y861 HydrophobicContact CZ-CD2 4.01Å; F808-Y861 HydrophobicContact CZ-CE2 4.34Å; F808-Y861 HydrophobicContact CZ-CG 4.32Å; F808-I876 HydrophobicContact CB-CG2 4.45Å; F808-I876 HydrophobicContact CD1-CD1 3.95Å; F808-I876 HydrophobicContact CD1-CG1 4.46Å; F808-I876 HydrophobicContact CD1-CG2 3.67Å; F808-I876 HydrophobicContact CD2-CG2 4.32Å; F808-I876 HydrophobicContact CE1-CD1 4.05Å; F808-I876 HydrophobicContact CE1-CG1 4.42Å; F808-I876 HydrophobicContact CE1-CG2 3.81Å; F808-I876 HydrophobicContact CE2-CG2 4.35Å; F808-I876 HydrophobicContact CG-CG2 3.96Å; F808-I876 HydrophobicContact CZ-CG2 4.23Å; F808-L878 HydrophobicContact CE2-CD2 4.24Å; F808-L878 HydrophobicContact CZ-CB 4.04Å; F808-L878 HydrophobicContact CZ-CD1 4.21Å; F808-L878 HydrophobicContact CZ-CD2 4.08Å; F808-L878 HydrophobicContact CZ-CG 4.27Å |
| 809 | S | 90.9 | Very high | 84 | Confident | 54 Ų | 54 | 51 Ų | 51 | 38% | 0.378 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 134.6 | -179.9 | 126.1 | 0 | 0 | 0 | 0 | 112 | D447 L794 V846 | D447-S809 PolarHBondContact OD2-OG 3.28Å; L794-S809 VanDerWaalsContact CD2-O 3.31Å; L794-S809 WeakPolarHBondContact CD2-O 3.35Å; S809-V846 CarbonylContact C-O 3.53Å; S809-V846 VanDerWaalsContact CA-O 3.27Å; S809-V846 WeakPolarHBondContact CA-O 3.42Å |
| 810 | C | 91.5 | Very high | 83.7 | Confident | 0.75 Ų | 0.75 | 49.3 Ų | 49.3 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 161.9 | 170.3 | 56 | 0 | 0 | 0 | 0 | 112.5 | F448 F790 Q792 L794 C845 V846 C863 T874 | F448-C810 VanDerWaalsContact CE1-C 3.5Å; F448-C810 HydrophobicContact CE1-CB 4.33Å; F448-C810 HydrophobicContact CZ-CB 3.86Å; F790-C810 HydrophobicContact CD1-CB 3.98Å; F790-C810 HydrophobicContact CE1-CB 4.09Å; F790-C810 VanDerWaalsContact CE1-SG 3.54Å; Q792-C810 CarbonylContact O-C 3.48Å; Q792-C810 WeakPolarHBondContact O-CA 3.38Å; Q792-C810 WeakPolarHBondContact O-CB 3.43Å; L794-C810 HydrophobicContact CD2-CB 3.98Å; L794-C810 HydrophobicContact CG-CB 3.87Å; C810-C845 CarbonylContact O-C 3.49Å; C810-C845 WeakPolarHBondContact O-CA 3.35Å; C810-V846 PolarHBondContact N-O 3.06Å; C810-V846 WeakPolarHBondContact O-CA 3.2Å; C810-V846 VanDerWaalsContact O-CB 3.3Å; C810-V846 WeakPolarHBondContact O-CB 3.48Å; C810-V846 PolarHBondContact O-N 2.79Å; C810-C863 WeakPolarHBondContact SG-CB 3.38Å; C810-C863 PolarHBondContact SG-SG 2.82Å; C810-C863 VanDerWaalsContact SG-SG 3.66Å; C810-T874 HydrophobicContact CB-CG2 4.02Å |
| 811 | Q | 90.5 | Very high | 83.7 | Confident | 65.5 Ų | 65.5 | 50.8 Ų | 50.8 | 31% | 0.306 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 142.6 | 177.3 | -58 | 178.6 | -7.8 | 0 | 0 | 111 | F448 F790 V791 Q792 G844 C845 | F448-Q811 HydrophobicContact CB-CB 4.27Å; F448-Q811 HydrophobicContact CB-CG 4.19Å; F448-Q811 VanDerWaalsContact CD1-CA 3.46Å; F448-Q811 HydrophobicContact CD1-CB 3.1Å; F448-Q811 HydrophobicContact CD1-CG 3.74Å; F448-Q811 WeakPolarHBondContact CD1-O 3.47Å; F448-Q811 HydrophobicContact CD2-CB 3.37Å; F448-Q811 HydrophobicContact CD2-CG 2.94Å; F448-Q811 HydrophobicContact CE1-CB 3.5Å; F448-Q811 VanDerWaalsContact CE1-CB 3.5Å; F448-Q811 HydrophobicContact CE1-CG 4.19Å; F448-Q811 WeakPolarHBondContact CE1-O 3.42Å; F448-Q811 HydrophobicContact CE2-CB 3.7Å; F448-Q811 HydrophobicContact CE2-CG 3.45Å; F448-Q811 VanDerWaalsContact CE2-CG 3.45Å; F448-Q811 HydrophobicContact CG-CB 3.24Å; F448-Q811 HydrophobicContact CG-CG 3.29Å; F448-Q811 HydrophobicContact CZ-CB 3.98Å; F448-Q811 HydrophobicContact CZ-CG 4.24Å; F790-Q811 CarbonylContact C-O 3.58Å; F790-Q811 VanDerWaalsContact C-O 3.27Å; F790-Q811 VanDerWaalsContact CA-O 3.3Å; F790-Q811 WeakPolarHBondContact CA-O 3.34Å; F790-Q811 VanDerWaalsContact CD1-O 3.29Å; F790-Q811 WeakPolarHBondContact CD1-O 3.25Å; V791-Q811 HydrophobicContact CG2-CB 4.4Å; V791-Q811 PolarHBondContact N-O 2.82Å; Q792-Q811 HydrophobicContact CB-CB 3.88Å; Q792-Q811 HydrophobicContact CB-CG 4.12Å; Q792-Q811 PolarHBondContact N-O 2.76Å; Q792-Q811 VanDerWaalsContact N-O 3.1Å; Q792-Q811 PolarHBondContact O-N 2.89Å; Q811-G844 CarbonylContact C-O 3.5Å; Q811-G844 WeakPolarHBondContact CA-O 3.41Å; Q811-G844 WeakPolarHBondContact CB-O 3.33Å; Q811-C845 VanDerWaalsContact CD-SG 3.55Å; Q811-C845 VanDerWaalsContact CG-CA 3.48Å; Q811-C845 HydrophobicContact CG-CB 4.12Å; Q811-C845 VanDerWaalsContact CG-SG 3.51Å; Q811-C845 PolarHBondContact NE2-SG 2.89Å; Q811-C845 VanDerWaalsContact NE2-SG 3.39Å |
| 812 | F | 90.7 | Very high | 84 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.039 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 156.6 | 176 | 68.3 | -90.6 | 0 | 0 | 0 | 112.5 | P788 H789 F790 T820 V822 G844 V846 A865 | P788-F812 HydrophobicContact CB-CD2 4.17Å; H789-F812 CarbonylContact O-C 3.39Å; H789-F812 WeakPolarHBondContact O-CA 3.33Å; H789-F812 WeakPolarHBondContact O-CB 3.22Å; F790-F812 HydrophobicContact CD1-CB 4.01Å; F790-F812 HydrophobicContact CE1-CB 4.11Å; F790-F812 HydrophobicContact CE1-CD1 4.33Å; F790-F812 HydrophobicContact CG-CB 4.39Å; F790-F812 HydrophobicContact CZ-CB 4.49Å; F812-T820 HydrophobicContact CD2-CG2 4.27Å; F812-T820 HydrophobicContact CE2-CG2 3.52Å; F812-T820 VanDerWaalsContact CE2-CG2 3.42Å; F812-T820 HydrophobicContact CZ-CG2 3.78Å; F812-V822 HydrophobicContact CD1-CG2 4.23Å; F812-V822 HydrophobicContact CE1-CG2 3.44Å; F812-V822 VanDerWaalsContact CE1-CG2 3.47Å; F812-V822 HydrophobicContact CZ-CG2 3.7Å; F812-G844 VanDerWaalsContact CD1-O 3.26Å; F812-G844 WeakPolarHBondContact CD1-O 3.35Å; F812-G844 VanDerWaalsContact CE1-CA 3.42Å; F812-G844 WeakPolarHBondContact CE1-O 3.43Å; F812-G844 VanDerWaalsContact CZ-CA 3.46Å; F812-G844 PolarHBondContact N-O 3.02Å; F812-G844 VanDerWaalsContact O-CA 3.31Å; F812-G844 WeakPolarHBondContact O-CA 3.43Å; F812-V846 HydrophobicContact CD1-CG2 3.82Å; F812-V846 HydrophobicContact CE1-CG2 3.61Å; F812-V846 VanDerWaalsContact CE1-CG2 3.47Å; F812-A865 HydrophobicContact CB-CB 4.26Å; F812-A865 HydrophobicContact CD1-CB 3.94Å; F812-A865 HydrophobicContact CD2-CB 4.14Å; F812-A865 HydrophobicContact CE1-CB 4.25Å; F812-A865 HydrophobicContact CE2-CB 4.42Å; F812-A865 HydrophobicContact CG-CB 3.84Å; F812-A865 HydrophobicContact CZ-CB 4.43Å |
| 813 | A | 85.3 | Confident | 84.2 | Confident | 28.5 Ų | 28.5 | 47.9 Ų | 47.9 | 24% | 0.236 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 150.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | P788 H789 V791 | P788-A813 CarbonylContact C-O 3.53Å; P788-A813 VanDerWaalsContact CA-O 3.29Å; P788-A813 WeakPolarHBondContact CA-O 3.4Å; H789-A813 PolarHBondContact CE1-O 2.82Å; H789-A813 PolarHBondContact N-O 2.82Å; H789-A813 PolarHBondContact ND1-O 2.91Å; H789-A813 PolarHBondContact O-N 2.99Å; V791-A813 HydrophobicContact CG2-CB 3.84Å |
| 814 | P | 84.7 | Confident | 84.9 | Confident | 30.5 Ų | 30.5 | 46.8 Ų | 46.8 | 20% | 0.198 | 28% | 0.282 | C | S | . | . | cis | -73 | 128.9 | -1.7 | 29.8 | -33.2 | 0 | 0 | 0 | 112.2 | A786 N816 D817 | A786-P814 WeakPolarHBondContact O-CD 3.24Å; A786-P814 VanDerWaalsContact O-CG 3.31Å; A786-P814 WeakPolarHBondContact O-CG 3.09Å; P814-N816 VanDerWaalsContact C-N 3.31Å; P814-N816 WeakPolarHBondContact CB-OD1 3.48Å; P814-N816 PolarHBondContact O-N 3.46Å; P814-D817 HydrophobicContact CG-CB 4.3Å | ||
| 815 | A | 75.5 | Confident | 85.4 | Confident | 35.5 Ų | 35.5 | 44.8 Ų | 44.8 | 29% | 0.293 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -24.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D817 F843 | A815-D817 VanDerWaalsContact C-N 3.33Å; A815-D817 PolarHBondContact O-N 3.09Å; A815-F843 VanDerWaalsContact CB-C 3.43Å; A815-F843 WeakPolarHBondContact CB-O 3.3Å |
| 816 | N | 69.7 | Low | 85.5 | Confident | 126.25 Ų | 126.25 | 42.8 Ų | 42.8 | 68% | 0.675 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 16.9 | -171.1 | -1.8 | -11.4 | 0 | 0 | 0 | 113.5 | P814 P818 K1666 | P814-N816 VanDerWaalsContact C-N 3.31Å; P814-N816 WeakPolarHBondContact CB-OD1 3.48Å; P814-N816 PolarHBondContact O-N 3.46Å; N816-P818 VanDerWaalsContact O-CD 3.26Å; N816-P818 WeakPolarHBondContact O-CD 3.33Å; N816-K1666 WeakPolarHBondContact OD1-CE 3.34Å; N816-K1666 PolarHBondContact OD1-NZ 3.16Å |
| 817 | D | 74.9 | Confident | 85.4 | Confident | 5.25 Ų | 5.25 | 45.9 Ų | 45.9 | 3% | 0.028 | 27% | 0.271 | C | S | . | . | trans | -87.9 | 111.3 | 173.9 | -176.8 | -25.3 | 0 | 0 | 0 | 109.5 | T785 P814 A815 T819 T820 N867 | T785-D817 WeakPolarHBondContact CB-OD2 3.4Å; T785-D817 HydrophobicContact CG2-CB 4.22Å; T785-D817 PolarHBondContact OG1-OD2 3Å; P814-D817 HydrophobicContact CG-CB 4.3Å; A815-D817 VanDerWaalsContact C-N 3.33Å; A815-D817 PolarHBondContact O-N 3.09Å; D817-T819 VanDerWaalsContact CG-OG1 3.28Å; D817-T819 PolarHBondContact O-N 2.91Å; D817-T819 VanDerWaalsContact O-N 3.09Å; D817-T819 WeakPolarHBondContact OD1-CA 3.38Å; D817-T819 VanDerWaalsContact OD1-CB 3.22Å; D817-T819 WeakPolarHBondContact OD1-CB 3.31Å; D817-T819 WeakPolarHBondContact OD1-CG2 3.31Å; D817-T819 PolarHBondContact OD1-N 3.01Å; D817-T819 PolarHBondContact OD1-OG1 2.96Å; D817-T819 PolarHBondContact OD2-OG1 3.1Å; D817-T820 WeakPolarHBondContact CB-OG1 3.31Å; D817-T820 VanDerWaalsContact O-CB 3.26Å; D817-T820 WeakPolarHBondContact O-CB 3.42Å; D817-T820 PolarHBondContact O-N 2.95Å; D817-T820 PolarHBondContact O-OG1 2.94Å; D817-N867 HydrophobicContact CB-CB 4.47Å; D817-N867 PolarHBondContact OD2-ND2 2.93Å; D817-N867 VanDerWaalsContact OD2-ND2 3.16Å | ||
| 818 | P | 70.9 | Confident | 85.1 | Confident | 128.5 Ų | 128.5 | 48.3 Ų | 48.3 | 83% | 0.834 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -4 | -176.4 | 29.2 | -35.8 | 0 | 0 | 0 | 113.6 | N816 T820 | N816-P818 VanDerWaalsContact O-CD 3.26Å; N816-P818 WeakPolarHBondContact O-CD 3.33Å; P818-T820 VanDerWaalsContact C-N 3.29Å |
| 819 | T | 78.4 | Confident | 84.7 | Confident | 58.25 Ų | 58.25 | 51.3 Ų | 51.3 | 36% | 0.357 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 3.3 | 171.4 | 70.9 | 0 | 0 | 0 | 0 | 112.9 | D817 N867 K868 | D817-T819 VanDerWaalsContact CG-OG1 3.28Å; D817-T819 PolarHBondContact O-N 2.91Å; D817-T819 VanDerWaalsContact O-N 3.09Å; D817-T819 WeakPolarHBondContact OD1-CA 3.38Å; D817-T819 VanDerWaalsContact OD1-CB 3.22Å; D817-T819 WeakPolarHBondContact OD1-CB 3.31Å; D817-T819 WeakPolarHBondContact OD1-CG2 3.31Å; D817-T819 PolarHBondContact OD1-N 3.01Å; D817-T819 PolarHBondContact OD1-OG1 2.96Å; D817-T819 PolarHBondContact OD2-OG1 3.1Å; T819-N867 WeakPolarHBondContact O-CA 3.24Å; T819-K868 HydrophobicContact CG2-CB 4.2Å; T819-K868 HydrophobicContact CG2-CD 3.88Å; T819-K868 HydrophobicContact CG2-CG 4.23Å; T819-K868 VanDerWaalsContact CG2-NZ 3.34Å; T819-K868 WeakPolarHBondContact OG1-CB 3.27Å; T819-K868 WeakPolarHBondContact OG1-CG 3.44Å; T819-K868 PolarHBondContact OG1-N 2.92Å |
| 820 | T | 81.4 | Confident | 84.4 | Confident | 33.5 Ų | 33.5 | 52.4 Ų | 52.4 | 21% | 0.206 | 30% | 0.303 | C | S | . | . | trans | -78.6 | 131.4 | -176.8 | -48.7 | 0 | 0 | 0 | 0 | 112.3 | F812 D817 P818 V822 R866 N867 | F812-T820 HydrophobicContact CD2-CG2 4.27Å; F812-T820 HydrophobicContact CE2-CG2 3.52Å; F812-T820 VanDerWaalsContact CE2-CG2 3.42Å; F812-T820 HydrophobicContact CZ-CG2 3.78Å; D817-T820 WeakPolarHBondContact CB-OG1 3.31Å; D817-T820 VanDerWaalsContact O-CB 3.26Å; D817-T820 WeakPolarHBondContact O-CB 3.42Å; D817-T820 PolarHBondContact O-N 2.95Å; D817-T820 PolarHBondContact O-OG1 2.94Å; P818-T820 VanDerWaalsContact C-N 3.29Å; T820-V822 HydrophobicContact CG2-CG2 4.5Å; T820-R866 CarbonylContact C-O 3.5Å; T820-R866 VanDerWaalsContact CA-O 3.25Å; T820-R866 WeakPolarHBondContact CA-O 3.19Å; T820-N867 HydrophobicContact CG2-CB 4.45Å; T820-N867 WeakPolarHBondContact OG1-CB 3.44Å | ||
| 821 | S | 86.5 | Confident | 84.2 | Confident | 47.25 Ų | 47.25 | 53.8 Ų | 53.8 | 33% | 0.33 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 145 | 171.7 | 59.8 | 0 | 0 | 0 | 0 | 109.6 | A865 R866 | S821-A865 CarbonylContact O-C 3.44Å; S821-A865 WeakPolarHBondContact O-CA 3.31Å; S821-R866 PolarHBondContact N-O 3.17Å; S821-R866 PolarHBondContact O-N 3.06Å; S821-R866 PolarHBondContact OG-O 2.79Å; S821-R866 VanDerWaalsContact OG-O 3.12Å |
| 822 | V | 89.8 | Confident | 83.3 | Confident | 27.75 Ų | 27.75 | 56.5 Ų | 56.5 | 17% | 0.168 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 128.6 | 179 | 178.2 | 0 | 0 | 0 | 0 | 109.1 | F812 T820 N841 V846 V864 A865 | F812-V822 HydrophobicContact CD1-CG2 4.23Å; F812-V822 HydrophobicContact CE1-CG2 3.44Å; F812-V822 VanDerWaalsContact CE1-CG2 3.47Å; F812-V822 HydrophobicContact CZ-CG2 3.7Å; T820-V822 HydrophobicContact CG2-CG2 4.5Å; V822-N841 HydrophobicContact CB-CB 4.27Å; V822-N841 WeakPolarHBondContact CB-ND2 3.33Å; V822-N841 VanDerWaalsContact CG2-ND2 3.31Å; V822-N841 WeakPolarHBondContact CG2-ND2 3.45Å; V822-N841 WeakPolarHBondContact CG2-OD1 3.46Å; V822-V846 HydrophobicContact CG1-CB 4.4Å; V822-V846 HydrophobicContact CG1-CG1 3.69Å; V822-V846 HydrophobicContact CG1-CG2 3.86Å; V822-V846 HydrophobicContact CG2-CG2 4.29Å; V822-V864 CarbonylContact C-O 3.52Å; V822-V864 VanDerWaalsContact CA-O 3.27Å; V822-V864 WeakPolarHBondContact CA-O 3.26Å; V822-A865 HydrophobicContact CG2-CB 4.11Å |
| 823 | E | 89.5 | Confident | 82.2 | Confident | 71 Ų | 71 | 62.1 Ų | 62.1 | 33% | 0.332 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 136.2 | -178.1 | -66.7 | 176.1 | -179.6 | 0 | 0 | 110.4 | R274 Y825 C863 V864 | R274-E823 IonicContact NH2-OE2 3.95Å; E823-Y825 HydrophobicContact CB-CD2 4.37Å; E823-Y825 HydrophobicContact CB-CE2 3.67Å; E823-Y825 WeakPolarHBondContact OE2-CE2 3.21Å; E823-Y825 PolarHBondContact OE2-OH 2.93Å; E823-C863 CarbonylContact O-C 3.54Å; E823-C863 WeakPolarHBondContact O-CA 3.39Å; E823-V864 HydrophobicContact CB-CB 4.42Å; E823-V864 PolarHBondContact N-O 2.94Å; E823-V864 PolarHBondContact O-N 2.9Å |
| 824 | W | 91.3 | Very high | 81.4 | Confident | 14.25 Ų | 14.25 | 62.3 Ų | 62.3 | 5% | 0.054 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 140.8 | 171.2 | -77.4 | 89.2 | 0 | 0 | 0 | 111.3 | L794 F808 P830 L831 H839 V846 L848 T862 C863 | L794-W824 HydrophobicContact CD1-CH2 3.52Å; L794-W824 VanDerWaalsContact CD1-CH2 3.46Å; L794-W824 HydrophobicContact CD1-CZ3 3.56Å; L794-W824 VanDerWaalsContact CD1-CZ3 3.45Å; L794-W824 HydrophobicContact CD2-CH2 4.34Å; L794-W824 HydrophobicContact CG-CH2 4.45Å; F808-W824 HydrophobicContact CB-CH2 3.85Å; F808-W824 HydrophobicContact CB-CZ3 4.23Å; F808-W824 HydrophobicContact CD2-CZ3 4.32Å; W824-P830 WeakPolarHBondContact O-CA 3.23Å; W824-L831 HydrophobicContact CB-CB 3.89Å; W824-L831 HydrophobicContact CB-CD2 4.02Å; W824-L831 HydrophobicContact CB-CG 4.39Å; W824-L831 HydrophobicContact CG-CD2 4.34Å; W824-L831 WeakPolarHBondContact O-CB 3.36Å; W824-L831 PolarHBondContact O-N 2.86Å; W824-H839 AromaticContact CD1-CD2 3.14Å; W824-H839 AromaticContact CD1-CE1 3.8Å; W824-H839 AromaticContact CD1-CG 3.82Å; W824-H839 AromaticContact CD1-ND1 3.98Å; W824-H839 AromaticContact CD1-NE2 3.25Å; W824-H839 VanDerWaalsContact CD1-NE2 3.26Å; W824-H839 AromaticContact CE2-CD2 3.88Å; W824-H839 AromaticContact NE1-CD2 2.88Å; W824-H839 PolarHBondContact NE1-CD2 3.21Å; W824-H839 AromaticContact NE1-CE1 3.94Å; W824-H839 AromaticContact NE1-CG 3.73Å; W824-H839 AromaticContact NE1-NE2 2.97Å; W824-H839 PolarHBondContact NE1-NE2 2.75Å; W824-V846 HydrophobicContact CZ2-CB 4.3Å; W824-V846 HydrophobicContact CZ2-CG1 3.81Å; W824-V846 VanDerWaalsContact NE1-CG1 3.29Å; W824-L848 HydrophobicContact CD2-CB 4.03Å; W824-L848 HydrophobicContact CD2-CD2 3.84Å; W824-L848 HydrophobicContact CD2-CG 4.43Å; W824-L848 HydrophobicContact CE3-CB 4.21Å; W824-L848 HydrophobicContact CE3-CD2 3.53Å; W824-L848 VanDerWaalsContact CE3-CD2 3.4Å; W824-L848 HydrophobicContact CE3-CG 4.41Å; W824-L848 HydrophobicContact CG-CD2 4.32Å; W824-L848 HydrophobicContact CH2-CB 3.65Å; W824-L848 VanDerWaalsContact CH2-CB 3.45Å; W824-L848 HydrophobicContact CH2-CD2 4.18Å; W824-L848 HydrophobicContact CH2-CG 4.45Å; W824-L848 HydrophobicContact CZ2-CB 3.48Å; W824-L848 VanDerWaalsContact CZ2-CB 3.43Å; W824-L848 HydrophobicContact CZ2-CD2 4.36Å; W824-L848 HydrophobicContact CZ3-CB 4.03Å; W824-L848 HydrophobicContact CZ3-CD2 3.76Å; W824-L848 HydrophobicContact CZ3-CG 4.45Å; W824-T862 CarbonylContact C-O 3.5Å; W824-T862 WeakPolarHBondContact CA-O 3.34Å; W824-C863 HydrophobicContact CD2-CB 4.13Å; W824-C863 HydrophobicContact CE3-CB 4.1Å; W824-C863 HydrophobicContact CH2-CB 4.07Å; W824-C863 HydrophobicContact CZ2-CB 4.04Å; W824-C863 HydrophobicContact CZ3-CB 4.07Å |
| 825 | Y | 91.4 | Very high | 80.4 | Confident | 41 Ų | 41 | 66.6 Ų | 66.6 | 16% | 0.161 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 133.8 | 176.3 | -68.1 | -107.7 | 0 | 0 | 0 | 109.6 | R274 E823 T829 P830 Y861 T862 V864 | R274-Y825 PolarHBondContact NH1-OH 3.05Å; R274-Y825 PolarHBondContact NH2-OH 2.9Å; E823-Y825 HydrophobicContact CB-CD2 4.37Å; E823-Y825 HydrophobicContact CB-CE2 3.67Å; E823-Y825 WeakPolarHBondContact OE2-CE2 3.21Å; E823-Y825 PolarHBondContact OE2-OH 2.93Å; Y825-T829 CarbonylContact C-O 3.52Å; Y825-T829 VanDerWaalsContact C-O 3.31Å; Y825-T829 VanDerWaalsContact CA-O 3.22Å; Y825-T829 WeakPolarHBondContact CA-O 3.32Å; Y825-P830 HydrophobicContact CD1-CG 4.3Å; Y825-P830 HydrophobicContact CE1-CG 3.92Å; Y825-Y861 CarbonylContact O-C 3.47Å; Y825-Y861 VanDerWaalsContact O-CA 3.24Å; Y825-Y861 WeakPolarHBondContact O-CA 3.33Å; Y825-T862 WeakPolarHBondContact CB-O 3.33Å; Y825-T862 PolarHBondContact N-O 3.19Å; Y825-T862 PolarHBondContact O-N 2.96Å; Y825-V864 HydrophobicContact CD2-CB 4.41Å; Y825-V864 HydrophobicContact CD2-CG2 3.72Å; Y825-V864 HydrophobicContact CE2-CB 4.11Å; Y825-V864 HydrophobicContact CE2-CG2 3.72Å; Y825-V864 VanDerWaalsContact CE2-CG2 3.47Å |
| 826 | F | 91 | Very high | 80.9 | Confident | 34 Ų | 34 | 68 Ų | 68 | 15% | 0.149 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 120.8 | 168 | 173.8 | -115 | 0 | 0 | 0 | 108.9 | N828 T829 L831 T856 D857 S858 G859 I860 Y861 | F826-N828 VanDerWaalsContact C-N 3.26Å; F826-N828 PolarHBondContact O-N 2.92Å; F826-N828 VanDerWaalsContact O-N 3.17Å; F826-T829 PolarHBondContact N-O 3Å; F826-T829 PolarHBondContact O-N 2.81Å; F826-T829 PolarHBondContact O-OG1 3.03Å; F826-L831 HydrophobicContact CB-CB 4.5Å; F826-L831 HydrophobicContact CB-CD1 3.86Å; F826-L831 HydrophobicContact CG-CD1 4.4Å; F826-T856 WeakPolarHBondContact CZ-O 3.38Å; F826-D857 VanDerWaalsContact CE2-O 3.23Å; F826-D857 WeakPolarHBondContact CE2-O 3.31Å; F826-S858 VanDerWaalsContact CZ-O 3.28Å; F826-S858 WeakPolarHBondContact CZ-O 3.29Å; F826-G859 VanDerWaalsContact CE2-CA 3.49Å; F826-I860 CarbonylContact C-O 3.51Å; F826-I860 WeakPolarHBondContact CA-O 3.28Å; F826-Y861 HydrophobicContact CB-CD1 4.39Å; F826-Y861 HydrophobicContact CB-CE1 4.26Å; F826-Y861 HydrophobicContact CD2-CD1 4.18Å; F826-Y861 AromaticContact CD2-CD2 3.98Å; F826-Y861 HydrophobicContact CD2-CD2 4.07Å; F826-Y861 AromaticContact CD2-CE1 3.73Å; F826-Y861 HydrophobicContact CD2-CE1 3.73Å; F826-Y861 AromaticContact CD2-CE2 3.58Å; F826-Y861 HydrophobicContact CD2-CE2 3.58Å; F826-Y861 HydrophobicContact CD2-CG 4.33Å; F826-Y861 AromaticContact CD2-CZ 3.4Å; F826-Y861 VanDerWaalsContact CD2-CZ 3.42Å; F826-Y861 HydrophobicContact CE2-CD2 4.4Å; F826-Y861 HydrophobicContact CE2-CE1 4.44Å; F826-Y861 AromaticContact CE2-CE2 3.68Å; F826-Y861 HydrophobicContact CE2-CE2 3.68Å; F826-Y861 AromaticContact CE2-CZ 3.7Å; F826-Y861 HydrophobicContact CG-CE1 4.31Å |
| 827 | N | 87.7 | Confident | 81.4 | Confident | 73.5 Ų | 73.5 | 63.5 Ų | 63.5 | 39% | 0.393 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 42.1 | -176.8 | -67.6 | -36.9 | 0 | 0 | 0 | 113.5 | T829 S858 G859 I860 | N827-T829 VanDerWaalsContact C-N 3.27Å; N827-T829 PolarHBondContact O-N 3.04Å; N827-S858 PolarHBondContact ND2-O 3.37Å; N827-G859 VanDerWaalsContact OD1-CA 3.24Å; N827-G859 WeakPolarHBondContact OD1-CA 3.37Å; N827-I860 PolarHBondContact N-O 3.14Å; N827-I860 PolarHBondContact OD1-N 2.92Å |
| 828 | N | 83.2 | Confident | 81.7 | Confident | 126.5 Ų | 126.5 | 69.3 Ų | 69.3 | 68% | 0.676 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 10.4 | -174.7 | -51.8 | -53.2 | 0 | 0 | 0 | 116 | F826 | F826-N828 VanDerWaalsContact C-N 3.26Å; F826-N828 PolarHBondContact O-N 2.92Å; F826-N828 VanDerWaalsContact O-N 3.17Å |
| 829 | T | 82.9 | Confident | 82.2 | Confident | 67.5 Ų | 67.5 | 66.3 Ų | 66.3 | 41% | 0.414 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 140.4 | 170.8 | 63.6 | 0 | 0 | 0 | 0 | 110.2 | M276 Y825 F826 N827 L831 | M276-T829 HydrophobicContact CG-CG2 4.42Å; Y825-T829 CarbonylContact C-O 3.52Å; Y825-T829 VanDerWaalsContact C-O 3.31Å; Y825-T829 VanDerWaalsContact CA-O 3.22Å; Y825-T829 WeakPolarHBondContact CA-O 3.32Å; F826-T829 PolarHBondContact N-O 3Å; F826-T829 PolarHBondContact O-N 2.81Å; F826-T829 PolarHBondContact O-OG1 3.03Å; N827-T829 VanDerWaalsContact C-N 3.27Å; N827-T829 PolarHBondContact O-N 3.04Å; T829-L831 PolarHBondContact O-N 2.9Å; T829-L831 VanDerWaalsContact O-N 3.13Å |
| 830 | P | 86.3 | Confident | 82.3 | Confident | 77 Ų | 77 | 65.8 Ų | 65.8 | 50% | 0.5 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 126.5 | 177 | -26.1 | 34.6 | 0 | 0 | 0 | 111.2 | R274 W824 Y825 K832 | R274-P830 HydrophobicContact CB-CG 4.49Å; R274-P830 HydrophobicContact CG-CG 4.18Å; W824-P830 WeakPolarHBondContact O-CA 3.23Å; Y825-P830 HydrophobicContact CD1-CG 4.3Å; Y825-P830 HydrophobicContact CE1-CG 3.92Å; P830-K832 PolarHBondContact O-N 2.88Å; P830-K832 VanDerWaalsContact O-N 3.13Å |
| 831 | L | 86 | Confident | 82.2 | Confident | 30.25 Ų | 30.25 | 67.2 Ų | 67.2 | 16% | 0.158 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 118.6 | 179.6 | -176.5 | 71.2 | 0 | 0 | 0 | 109.1 | W824 F826 T829 L848 Y861 | W824-L831 HydrophobicContact CB-CB 3.89Å; W824-L831 HydrophobicContact CB-CD2 4.02Å; W824-L831 HydrophobicContact CB-CG 4.39Å; W824-L831 HydrophobicContact CG-CD2 4.34Å; W824-L831 WeakPolarHBondContact O-CB 3.36Å; W824-L831 PolarHBondContact O-N 2.86Å; F826-L831 HydrophobicContact CB-CB 4.5Å; F826-L831 HydrophobicContact CB-CD1 3.86Å; F826-L831 HydrophobicContact CG-CD1 4.4Å; T829-L831 PolarHBondContact O-N 2.9Å; T829-L831 VanDerWaalsContact O-N 3.13Å; L831-L848 HydrophobicContact CD2-CD1 3.59Å; L831-L848 VanDerWaalsContact CD2-CD1 3.44Å; L831-L848 HydrophobicContact CD2-CD2 3.41Å; L831-L848 VanDerWaalsContact CD2-CD2 3.46Å; L831-L848 HydrophobicContact CD2-CG 4.17Å; L831-Y861 HydrophobicContact CD1-CD1 4.33Å; L831-Y861 HydrophobicContact CD1-CE1 4Å; L831-Y861 HydrophobicContact CD2-CD1 4.32Å; L831-Y861 HydrophobicContact CD2-CE1 4.24Å |
| 832 | K | 71.3 | Confident | 81.5 | Confident | 121.5 Ų | 121.5 | 67.5 Ų | 67.5 | 53% | 0.528 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 131.1 | 179 | -70.3 | -171.6 | 175.1 | -168.6 | 0 | 109.6 | M276 H285 P830 G834 Q837 S912 P913 | M276-K832 HydrophobicContact CE-CD 3.48Å; M276-K832 VanDerWaalsContact CE-CD 3.48Å; M276-K832 VanDerWaalsContact CE-CE 3.49Å; M276-K832 HydrophobicContact CE-CG 4.43Å; M276-K832 HydrophobicContact SD-CD 3.7Å; M276-K832 WeakPolarHBondContact SD-CE 3.35Å; M276-K832 PolarHBondContact SD-NZ 3.32Å; H285-K832 VanDerWaalsContact C-CE 3.48Å; H285-K832 HydrophobicContact CB-CB 3.55Å; H285-K832 HydrophobicContact CB-CD 4.12Å; H285-K832 HydrophobicContact CB-CG 3.91Å; H285-K832 WeakPolarHBondContact O-CD 3.26Å; H285-K832 WeakPolarHBondContact O-CE 3.42Å; H285-K832 WeakPolarHBondContact O-CG 3.38Å; H285-K832 PolarHBondContact O-NZ 2.88Å; P830-K832 PolarHBondContact O-N 2.88Å; P830-K832 VanDerWaalsContact O-N 3.13Å; K832-G834 PolarHBondContact O-N 2.82Å; K832-Q837 PolarHBondContact O-OE1 3.14Å; K832-S912 PolarHBondContact NZ-O 3.31Å; K832-P913 PolarHBondContact NZ-O 3.15Å |
| 833 | Q | 68.5 | Low | 80.8 | Confident | 126.5 Ų | 126.5 | 72.1 Ų | 72.1 | 59% | 0.591 | 37% | 0.368 | S | S | * | . | trans | -67.5 | 126.1 | 174.5 | -168 | 172.4 | -3.7 | 0 | 0 | 110.2 | H285 H839 | H285-Q833 PolarHBondContact CD2-N 3.3Å; H285-Q833 PolarHBondContact CE1-O 2.89Å; H285-Q833 PolarHBondContact ND1-O 3.44Å; Q833-H839 PolarHBondContact OE1-CE1 2.79Å | ||
| 834 | G | 67.5 | Low | 80.2 | Confident | 31.5 Ų | 31.5 | 68.9 Ų | 68.9 | 33% | 0.325 | 35% | 0.354 | S | S | . | . | trans | -138.1 | 171.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K832 R836 Q837 | K832-G834 PolarHBondContact O-N 2.82Å; G834-R836 PolarHBondContact O-N 3.07Å; G834-R836 VanDerWaalsContact O-N 3.12Å; G834-Q837 PolarHBondContact N-O 2.9Å; G834-Q837 CarbonylContact O-C 3.56Å; G834-Q837 PolarHBondContact O-N 3.09Å; G834-Q837 VanDerWaalsContact O-O 3.05Å | ||
| 835 | S | 65.1 | Low | 79.9 | Confident | 122.5 Ų | 122.5 | 70.3 Ų | 70.3 | 86% | 0.857 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -24.5 | -178.4 | 55.1 | 0 | 0 | 0 | 0 | 114.5 | ||
| 836 | R | 85.1 | Confident | 79.8 | Confident | 63.75 Ų | 63.75 | 68.4 Ų | 68.4 | 24% | 0.241 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -17.2 | 175.1 | -80.9 | -174.5 | -40.5 | 100.1 | 3.7 | 113.7 | G834 I850 A851 S852 D857 | G834-R836 PolarHBondContact O-N 3.07Å; G834-R836 VanDerWaalsContact O-N 3.12Å; R836-I850 VanDerWaalsContact NH1-CG2 3.32Å; R836-I850 CarbonylContact O-C 3.53Å; R836-I850 VanDerWaalsContact O-CA 3.27Å; R836-I850 WeakPolarHBondContact O-CA 3.31Å; R836-A851 PolarHBondContact O-N 2.94Å; R836-S852 WeakPolarHBondContact CD-O 3.39Å; R836-S852 PolarHBondContact NH1-O 2.97Å; R836-D857 IonicContact CZ-OD1 3.28Å; R836-D857 IonicContact CZ-OD2 2.77Å; R836-D857 IonicContact NH1-OD1 3.56Å; R836-D857 PolarHBondContact NH1-OD1 2.98Å; R836-D857 IonicContact NH1-OD2 2.97Å; R836-D857 PolarHBondContact NH1-OD2 2.99Å; R836-D857 IonicContact NH2-OD1 3.13Å; R836-D857 PolarHBondContact NH2-OD1 2.94Å; R836-D857 IonicContact NH2-OD2 3.42Å; R836-D857 PolarHBondContact NH2-OD2 2.95Å |
| 837 | Q | 81.6 | Confident | 79.7 | Confident | 32.75 Ų | 32.75 | 68.7 Ų | 68.7 | 15% | 0.153 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 108.2 | -169.2 | -68.7 | 150.9 | -12.4 | 0 | 0 | 110.3 | K832 G834 L848 E849 I850 D857 | K832-Q837 PolarHBondContact O-OE1 3.14Å; G834-Q837 PolarHBondContact N-O 2.9Å; G834-Q837 CarbonylContact O-C 3.56Å; G834-Q837 PolarHBondContact O-N 3.09Å; G834-Q837 VanDerWaalsContact O-O 3.05Å; Q837-L848 HydrophobicContact CB-CD1 4.4Å; Q837-E849 CarbonylContact C-O 3.51Å; Q837-E849 VanDerWaalsContact CA-O 3.26Å; Q837-E849 WeakPolarHBondContact CA-O 3.34Å; Q837-I850 HydrophobicContact CG-CG1 4.31Å; Q837-I850 HydrophobicContact CG-CG2 4.4Å; Q837-D857 PolarHBondContact NE2-OD1 2.88Å; Q837-D857 VanDerWaalsContact NE2-OD1 3.08Å |
| 838 | R | 79.4 | Confident | 79.9 | Confident | 126.5 Ų | 126.5 | 65.2 Ų | 65.2 | 48% | 0.477 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 129.7 | -178.9 | -179.8 | 179.1 | -161.7 | -161.6 | 1 | 109.4 | I840 L848 E849 E1547 E1552 | R838-I840 HydrophobicContact CG-CG1 4.4Å; R838-L848 CarbonylContact O-C 3.52Å; R838-L848 WeakPolarHBondContact O-CA 3.26Å; R838-L848 WeakPolarHBondContact O-CD1 3.33Å; R838-E849 HydrophobicContact CB-CB 4.42Å; R838-E849 VanDerWaalsContact CD-OE2 3.28Å; R838-E849 WeakPolarHBondContact CD-OE2 3.28Å; R838-E849 IonicContact CZ-OE2 3.46Å; R838-E849 PolarHBondContact N-O 3.11Å; R838-E849 IonicContact NE-OE2 3.69Å; R838-E849 IonicContact NH1-OE1 3.48Å; R838-E849 IonicContact NH1-OE2 2.66Å; R838-E849 PolarHBondContact NH1-OE2 2.82Å; R838-E849 PolarHBondContact O-N 2.92Å; R838-E1547 PolarHBondContact NH2-O 3.17Å; R838-E1552 IonicContact NH1-OE1 3.35Å |
| 839 | H | 83.4 | Confident | 80.2 | Confident | 65 Ų | 65 | 62.5 Ų | 62.5 | 30% | 0.301 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 142.2 | 172.5 | 114.5 | -103.6 | 0 | 0 | 0 | 110.5 | W824 Q833 V846 L847 L848 | W824-H839 AromaticContact CD1-CD2 3.14Å; W824-H839 AromaticContact CD1-CE1 3.8Å; W824-H839 AromaticContact CD1-CG 3.82Å; W824-H839 AromaticContact CD1-ND1 3.98Å; W824-H839 AromaticContact CD1-NE2 3.25Å; W824-H839 VanDerWaalsContact CD1-NE2 3.26Å; W824-H839 AromaticContact CE2-CD2 3.88Å; W824-H839 AromaticContact NE1-CD2 2.88Å; W824-H839 PolarHBondContact NE1-CD2 3.21Å; W824-H839 AromaticContact NE1-CE1 3.94Å; W824-H839 AromaticContact NE1-CG 3.73Å; W824-H839 AromaticContact NE1-NE2 2.97Å; W824-H839 PolarHBondContact NE1-NE2 2.75Å; Q833-H839 PolarHBondContact OE1-CE1 2.79Å; H839-V846 WeakPolarHBondContact NE2-CG1 3.25Å; H839-L847 CarbonylContact C-O 3.49Å; H839-L847 VanDerWaalsContact CA-O 3.24Å; H839-L847 WeakPolarHBondContact CA-O 3.36Å; H839-L847 WeakPolarHBondContact CB-O 3.42Å; H839-L847 PolarHBondContact CD2-O 2.99Å; H839-L848 HydrophobicContact CB-CD1 4.24Å |
| 840 | I | 80.1 | Confident | 80.6 | Confident | 47.25 Ų | 47.25 | 59.4 Ų | 59.4 | 24% | 0.242 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 134.7 | 178.8 | -61.7 | 171 | 0 | 0 | 0 | 107.4 | R838 D842 V846 L847 E1547 | R838-I840 HydrophobicContact CG-CG1 4.4Å; I840-D842 HydrophobicContact CG2-CB 4.5Å; I840-D842 VanDerWaalsContact CG2-OD2 3.31Å; I840-D842 WeakPolarHBondContact CG2-OD2 3.41Å; I840-V846 CarbonylContact O-C 3.5Å; I840-V846 VanDerWaalsContact O-CA 3.26Å; I840-V846 WeakPolarHBondContact O-CA 3.32Å; I840-L847 HydrophobicContact CB-CB 4.24Å; I840-L847 HydrophobicContact CD1-CD2 4.15Å; I840-L847 HydrophobicContact CG2-CB 4.32Å; I840-L847 PolarHBondContact N-O 2.9Å; I840-L847 PolarHBondContact O-N 2.86Å; I840-E1547 WeakPolarHBondContact CA-OE2 3.38Å; I840-E1547 HydrophobicContact CB-CB 4.11Å; I840-E1547 HydrophobicContact CD1-CB 4.34Å; I840-E1547 WeakPolarHBondContact CD1-O 3.29Å; I840-E1547 HydrophobicContact CG1-CB 3.84Å; I840-E1547 HydrophobicContact CG2-CB 3.47Å; I840-E1547 VanDerWaalsContact CG2-CB 3.47Å; I840-E1547 HydrophobicContact CG2-CG 3.8Å |
| 841 | N | 78.2 | Confident | 80.3 | Confident | 63.75 Ų | 63.75 | 58.9 Ų | 58.9 | 34% | 0.341 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 109.3 | 175.1 | 172.7 | 43.5 | 0 | 0 | 0 | 109.2 | V822 C845 V846 E1547 | V822-N841 HydrophobicContact CB-CB 4.27Å; V822-N841 WeakPolarHBondContact CB-ND2 3.33Å; V822-N841 VanDerWaalsContact CG2-ND2 3.31Å; V822-N841 WeakPolarHBondContact CG2-ND2 3.45Å; V822-N841 WeakPolarHBondContact CG2-OD1 3.46Å; N841-C845 CarbonylContact C-O 3.51Å; N841-C845 VanDerWaalsContact CA-O 3.23Å; N841-C845 WeakPolarHBondContact CA-O 3.37Å; N841-V846 HydrophobicContact CB-CG1 4.34Å; N841-E1547 PolarHBondContact N-OE2 3.24Å |
| 842 | D | 72.8 | Confident | 80.2 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 29% | 0.289 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 130.2 | -175 | -130.5 | -1.8 | 0 | 0 | 0 | 110.2 | I840 G844 C845 E1546 E1547 E1693 S1695 | I840-D842 HydrophobicContact CG2-CB 4.5Å; I840-D842 VanDerWaalsContact CG2-OD2 3.31Å; I840-D842 WeakPolarHBondContact CG2-OD2 3.41Å; D842-G844 CarbonylContact O-C 3.57Å; D842-G844 PolarHBondContact O-N 3.12Å; D842-G844 VanDerWaalsContact O-N 3.11Å; D842-C845 PolarHBondContact N-O 3.01Å; D842-C845 WeakPolarHBondContact O-CA 3.32Å; D842-C845 VanDerWaalsContact O-CB 3.26Å; D842-C845 WeakPolarHBondContact O-CB 3.35Å; D842-C845 PolarHBondContact O-N 3.07Å; D842-E1546 VanDerWaalsContact C-CD 3.45Å; D842-E1546 VanDerWaalsContact C-OE2 3.32Å; D842-E1546 HydrophobicContact CB-CB 3.35Å; D842-E1546 VanDerWaalsContact CB-CD 3.4Å; D842-E1546 HydrophobicContact CB-CG 3.43Å; D842-E1546 VanDerWaalsContact CB-CG 3.43Å; D842-E1546 WeakPolarHBondContact CB-OE2 3.32Å; D842-E1546 VanDerWaalsContact O-OE1 3.12Å; D842-E1546 WeakPolarHBondContact OD2-CA 3.41Å; D842-E1547 HydrophobicContact CB-CG 3.97Å; D842-E1547 VanDerWaalsContact OD2-CG 3.25Å; D842-E1547 WeakPolarHBondContact OD2-CG 3.17Å; D842-E1547 PolarHBondContact OD2-N 3.25Å; D842-E1693 WeakPolarHBondContact CA-OE1 3.38Å; D842-S1695 WeakPolarHBondContact CB-OG 3.43Å; D842-S1695 VanDerWaalsContact OD1-CB 3.24Å; D842-S1695 WeakPolarHBondContact OD1-CB 3.43Å; D842-S1695 PolarHBondContact OD1-OG 3.17Å; D842-S1695 PolarHBondContact OD2-OG 3Å |
| 843 | F | 74.8 | Confident | 81 | Confident | 124 Ų | 124 | 53.8 Ų | 53.8 | 54% | 0.544 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.1 | 38 | 179.7 | -62.2 | -80.6 | 0 | 0 | 0 | 116.1 | A815 C845 E1546 K1666 E1693 P1694 | A815-F843 VanDerWaalsContact CB-C 3.43Å; A815-F843 WeakPolarHBondContact CB-O 3.3Å; F843-C845 VanDerWaalsContact C-N 3.3Å; F843-C845 PolarHBondContact O-N 2.95Å; F843-C845 VanDerWaalsContact O-N 3.13Å; F843-E1546 WeakPolarHBondContact CB-OE1 3.22Å; F843-K1666 HydrophobicContact CD1-CD 4.27Å; F843-K1666 HydrophobicContact CE1-CD 3.99Å; F843-E1693 HydrophobicContact CD2-CG 4.39Å; F843-E1693 HydrophobicContact CE1-CB 4.3Å; F843-E1693 HydrophobicContact CE1-CG 4.27Å; F843-E1693 HydrophobicContact CE2-CB 4.02Å; F843-E1693 HydrophobicContact CE2-CG 3.51Å; F843-E1693 HydrophobicContact CZ-CB 3.46Å; F843-E1693 VanDerWaalsContact CZ-CB 3.46Å; F843-E1693 HydrophobicContact CZ-CG 3.42Å; F843-E1693 VanDerWaalsContact CZ-CG 3.42Å; F843-E1693 PolarHBondContact N-OE1 2.77Å; F843-P1694 HydrophobicContact CD2-CB 4.46Å; F843-P1694 HydrophobicContact CE1-CB 4.25Å; F843-P1694 HydrophobicContact CE1-CG 4.17Å; F843-P1694 HydrophobicContact CE2-CB 3.42Å; F843-P1694 VanDerWaalsContact CE2-CB 3.42Å; F843-P1694 HydrophobicContact CE2-CG 4.22Å; F843-P1694 HydrophobicContact CZ-CB 3.29Å; F843-P1694 HydrophobicContact CZ-CG 3.57Å |
| 844 | G | 77.2 | Confident | 81.9 | Confident | 3.5 Ų | 3.5 | 50.4 Ų | 50.4 | 4% | 0.036 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -7.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q811 F812 D842 V846 | Q811-G844 CarbonylContact C-O 3.5Å; Q811-G844 WeakPolarHBondContact CA-O 3.41Å; Q811-G844 WeakPolarHBondContact CB-O 3.33Å; F812-G844 VanDerWaalsContact CD1-O 3.26Å; F812-G844 WeakPolarHBondContact CD1-O 3.35Å; F812-G844 VanDerWaalsContact CE1-CA 3.42Å; F812-G844 WeakPolarHBondContact CE1-O 3.43Å; F812-G844 VanDerWaalsContact CZ-CA 3.46Å; F812-G844 PolarHBondContact N-O 3.02Å; F812-G844 VanDerWaalsContact O-CA 3.31Å; F812-G844 WeakPolarHBondContact O-CA 3.43Å; D842-G844 CarbonylContact O-C 3.57Å; D842-G844 PolarHBondContact O-N 3.12Å; D842-G844 VanDerWaalsContact O-N 3.11Å; G844-V846 PolarHBondContact O-N 2.78Å |
| 845 | C | 84.1 | Confident | 82.7 | Confident | 43 Ų | 43 | 51.2 Ų | 51.2 | 29% | 0.291 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 126.2 | 168.3 | -47.8 | 0 | 0 | 0 | 0 | 110.4 | C810 Q811 N841 D842 F843 E1546 | C810-C845 CarbonylContact O-C 3.49Å; C810-C845 WeakPolarHBondContact O-CA 3.35Å; Q811-C845 VanDerWaalsContact CD-SG 3.55Å; Q811-C845 VanDerWaalsContact CG-CA 3.48Å; Q811-C845 HydrophobicContact CG-CB 4.12Å; Q811-C845 VanDerWaalsContact CG-SG 3.51Å; Q811-C845 PolarHBondContact NE2-SG 2.89Å; Q811-C845 VanDerWaalsContact NE2-SG 3.39Å; N841-C845 CarbonylContact C-O 3.51Å; N841-C845 VanDerWaalsContact CA-O 3.23Å; N841-C845 WeakPolarHBondContact CA-O 3.37Å; D842-C845 PolarHBondContact N-O 3.01Å; D842-C845 WeakPolarHBondContact O-CA 3.32Å; D842-C845 VanDerWaalsContact O-CB 3.26Å; D842-C845 WeakPolarHBondContact O-CB 3.35Å; D842-C845 PolarHBondContact O-N 3.07Å; F843-C845 VanDerWaalsContact C-N 3.3Å; F843-C845 PolarHBondContact O-N 2.95Å; F843-C845 VanDerWaalsContact O-N 3.13Å; C845-E1546 WeakPolarHBondContact CA-OE2 3.33Å; C845-E1546 WeakPolarHBondContact CB-OE2 3.38Å; C845-E1546 PolarHBondContact N-OE2 3.02Å; C845-E1546 PolarHBondContact SG-OE1 2.84Å; C845-E1546 PolarHBondContact SG-OE2 2.84Å |
| 846 | V | 89.2 | Confident | 83.7 | Confident | 1.5 Ų | 1.5 | 49.6 Ų | 49.6 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 125.1 | -176.8 | -167 | 0 | 0 | 0 | 0 | 108.8 | S809 C810 F812 V822 W824 H839 I840 N841 G844 | S809-V846 CarbonylContact C-O 3.53Å; S809-V846 VanDerWaalsContact CA-O 3.27Å; S809-V846 WeakPolarHBondContact CA-O 3.42Å; C810-V846 PolarHBondContact N-O 3.06Å; C810-V846 WeakPolarHBondContact O-CA 3.2Å; C810-V846 VanDerWaalsContact O-CB 3.3Å; C810-V846 WeakPolarHBondContact O-CB 3.48Å; C810-V846 PolarHBondContact O-N 2.79Å; F812-V846 HydrophobicContact CD1-CG2 3.82Å; F812-V846 HydrophobicContact CE1-CG2 3.61Å; F812-V846 VanDerWaalsContact CE1-CG2 3.47Å; V822-V846 HydrophobicContact CG1-CB 4.4Å; V822-V846 HydrophobicContact CG1-CG1 3.69Å; V822-V846 HydrophobicContact CG1-CG2 3.86Å; V822-V846 HydrophobicContact CG2-CG2 4.29Å; W824-V846 HydrophobicContact CZ2-CB 4.3Å; W824-V846 HydrophobicContact CZ2-CG1 3.81Å; W824-V846 VanDerWaalsContact NE1-CG1 3.29Å; H839-V846 WeakPolarHBondContact NE2-CG1 3.25Å; I840-V846 CarbonylContact O-C 3.5Å; I840-V846 VanDerWaalsContact O-CA 3.26Å; I840-V846 WeakPolarHBondContact O-CA 3.32Å; N841-V846 HydrophobicContact CB-CG1 4.34Å; G844-V846 PolarHBondContact O-N 2.78Å |
| 847 | L | 89.9 | Confident | 83.9 | Confident | 40.5 Ų | 40.5 | 46.9 Ų | 46.9 | 21% | 0.212 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 136.5 | 179.2 | 178.7 | 68.4 | 0 | 0 | 0 | 110 | F808 H839 I840 E849 | F808-L847 CarbonylContact O-C 3.52Å; F808-L847 VanDerWaalsContact O-CA 3.28Å; F808-L847 WeakPolarHBondContact O-CA 3.28Å; H839-L847 CarbonylContact C-O 3.49Å; H839-L847 VanDerWaalsContact CA-O 3.24Å; H839-L847 WeakPolarHBondContact CA-O 3.36Å; H839-L847 WeakPolarHBondContact CB-O 3.42Å; H839-L847 PolarHBondContact CD2-O 2.99Å; I840-L847 HydrophobicContact CB-CB 4.24Å; I840-L847 HydrophobicContact CD1-CD2 4.15Å; I840-L847 HydrophobicContact CG2-CB 4.32Å; I840-L847 PolarHBondContact N-O 2.9Å; I840-L847 PolarHBondContact O-N 2.86Å; L847-E849 HydrophobicContact CD1-CG 4.22Å; L847-E849 HydrophobicContact CD2-CG 3.92Å; L847-E849 HydrophobicContact CG-CG 3.96Å |
| 848 | L | 91.5 | Very high | 84.3 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 118.5 | 167.2 | 171.3 | 63.2 | 0 | 0 | 0 | 109.8 | S807 F808 W824 L831 Q837 R838 H839 Y861 | S807-L848 CarbonylContact C-O 3.51Å; S807-L848 VanDerWaalsContact CA-O 3.31Å; S807-L848 WeakPolarHBondContact CA-O 3.34Å; F808-L848 HydrophobicContact CB-CB 4.43Å; F808-L848 HydrophobicContact CD2-CB 4.42Å; F808-L848 HydrophobicContact CD2-CD2 3.99Å; F808-L848 HydrophobicContact CD2-CG 4.27Å; F808-L848 HydrophobicContact CE2-CD2 4.46Å; F808-L848 PolarHBondContact N-O 3.13Å; F808-L848 PolarHBondContact O-N 3Å; W824-L848 HydrophobicContact CD2-CB 4.03Å; W824-L848 HydrophobicContact CD2-CD2 3.84Å; W824-L848 HydrophobicContact CD2-CG 4.43Å; W824-L848 HydrophobicContact CE3-CB 4.21Å; W824-L848 HydrophobicContact CE3-CD2 3.53Å; W824-L848 VanDerWaalsContact CE3-CD2 3.4Å; W824-L848 HydrophobicContact CE3-CG 4.41Å; W824-L848 HydrophobicContact CG-CD2 4.32Å; W824-L848 HydrophobicContact CH2-CB 3.65Å; W824-L848 VanDerWaalsContact CH2-CB 3.45Å; W824-L848 HydrophobicContact CH2-CD2 4.18Å; W824-L848 HydrophobicContact CH2-CG 4.45Å; W824-L848 HydrophobicContact CZ2-CB 3.48Å; W824-L848 VanDerWaalsContact CZ2-CB 3.43Å; W824-L848 HydrophobicContact CZ2-CD2 4.36Å; W824-L848 HydrophobicContact CZ3-CB 4.03Å; W824-L848 HydrophobicContact CZ3-CD2 3.76Å; W824-L848 HydrophobicContact CZ3-CG 4.45Å; L831-L848 HydrophobicContact CD2-CD1 3.59Å; L831-L848 VanDerWaalsContact CD2-CD1 3.44Å; L831-L848 HydrophobicContact CD2-CD2 3.41Å; L831-L848 VanDerWaalsContact CD2-CD2 3.46Å; L831-L848 HydrophobicContact CD2-CG 4.17Å; Q837-L848 HydrophobicContact CB-CD1 4.4Å; R838-L848 CarbonylContact O-C 3.52Å; R838-L848 WeakPolarHBondContact O-CA 3.26Å; R838-L848 WeakPolarHBondContact O-CD1 3.33Å; H839-L848 HydrophobicContact CB-CD1 4.24Å; L848-Y861 HydrophobicContact CD2-CD1 3.49Å; L848-Y861 VanDerWaalsContact CD2-CD1 3.42Å; L848-Y861 HydrophobicContact CD2-CE1 3.91Å; L848-Y861 HydrophobicContact CD2-CG 4.26Å |
| 849 | E | 89.4 | Confident | 84.8 | Confident | 69.75 Ų | 69.75 | 41.7 Ų | 41.7 | 33% | 0.326 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 136.4 | 177.3 | -57.2 | -178.8 | 129.1 | 0 | 0 | 110.8 | V806 Q837 R838 L847 | V806-E849 CarbonylContact O-C 3.53Å; V806-E849 WeakPolarHBondContact O-CA 3.42Å; Q837-E849 CarbonylContact C-O 3.51Å; Q837-E849 VanDerWaalsContact CA-O 3.26Å; Q837-E849 WeakPolarHBondContact CA-O 3.34Å; R838-E849 HydrophobicContact CB-CB 4.42Å; R838-E849 VanDerWaalsContact CD-OE2 3.28Å; R838-E849 WeakPolarHBondContact CD-OE2 3.28Å; R838-E849 IonicContact CZ-OE2 3.46Å; R838-E849 PolarHBondContact N-O 3.11Å; R838-E849 IonicContact NE-OE2 3.69Å; R838-E849 IonicContact NH1-OE1 3.48Å; R838-E849 IonicContact NH1-OE2 2.66Å; R838-E849 PolarHBondContact NH1-OE2 2.82Å; R838-E849 PolarHBondContact O-N 2.92Å; L847-E849 HydrophobicContact CD1-CG 4.22Å; L847-E849 HydrophobicContact CD2-CG 3.92Å; L847-E849 HydrophobicContact CG-CG 3.96Å |
| 850 | I | 91.2 | Very high | 85.3 | Confident | 1.25 Ų | 1.25 | 42.4 Ų | 42.4 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 105.9 | 172.4 | -51.8 | 175.8 | 0 | 0 | 0 | 107.4 | P805 V806 F808 R836 Q837 S852 V853 Y861 L878 | P805-I850 CarbonylContact C-O 3.52Å; P805-I850 VanDerWaalsContact CA-O 3.28Å; P805-I850 WeakPolarHBondContact CA-O 3.38Å; V806-I850 HydrophobicContact CB-CB 4.43Å; V806-I850 PolarHBondContact N-O 2.94Å; V806-I850 PolarHBondContact O-N 2.96Å; F808-I850 HydrophobicContact CE2-CD1 4.15Å; R836-I850 VanDerWaalsContact NH1-CG2 3.32Å; R836-I850 CarbonylContact O-C 3.53Å; R836-I850 VanDerWaalsContact O-CA 3.27Å; R836-I850 WeakPolarHBondContact O-CA 3.31Å; Q837-I850 HydrophobicContact CG-CG1 4.31Å; Q837-I850 HydrophobicContact CG-CG2 4.4Å; I850-S852 VanDerWaalsContact C-N 3.29Å; I850-S852 PolarHBondContact O-N 3.07Å; I850-V853 HydrophobicContact CB-CG2 4.05Å; I850-V853 HydrophobicContact CG2-CB 4.49Å; I850-V853 HydrophobicContact CG2-CG2 3.75Å; I850-Y861 HydrophobicContact CD1-CE1 3.97Å; I850-Y861 HydrophobicContact CD1-CE2 4.36Å; I850-Y861 VanDerWaalsContact CD1-OH 3.26Å; I850-Y861 WeakPolarHBondContact CD1-OH 3.29Å; I850-L878 HydrophobicContact CD1-CD2 4.07Å |
| 851 | A | 80.1 | Confident | 85.9 | Confident | 66.5 Ų | 66.5 | 40.2 Ų | 40.2 | 55% | 0.55 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -67.7 | -24.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P805 R836 | P805-A851 WeakPolarHBondContact CB-O 3.27Å; R836-A851 PolarHBondContact O-N 2.94Å |
| 852 | S | 84.4 | Confident | 86.7 | Confident | 45.75 Ų | 45.75 | 37.5 Ų | 37.5 | 32% | 0.32 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -157.7 | 103.4 | 176 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | G803 R836 I850 | G803-S852 WeakPolarHBondContact CA-OG 3.31Å; G803-S852 WeakPolarHBondContact O-CA 3.47Å; G803-S852 PolarHBondContact O-OG 2.94Å; G803-S852 VanDerWaalsContact O-OG 3.12Å; R836-S852 WeakPolarHBondContact CD-O 3.39Å; R836-S852 PolarHBondContact NH1-O 2.97Å; I850-S852 VanDerWaalsContact C-N 3.29Å; I850-S852 PolarHBondContact O-N 3.07Å |
| 853 | V | 88.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -73.9 | 132.8 | -174.7 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | V800 E802 G803 Q804 V806 I850 D857 L878 C880 | V800-V853 HydrophobicContact CG2-CB 4.01Å; V800-V853 HydrophobicContact CG2-CG1 3.7Å; V800-V853 HydrophobicContact CG2-CG2 4.26Å; E802-V853 CarbonylContact C-O 3.52Å; E802-V853 VanDerWaalsContact CA-O 3.3Å; E802-V853 WeakPolarHBondContact CA-O 3.39Å; G803-V853 PolarHBondContact N-O 3.26Å; Q804-V853 WeakPolarHBondContact O-CB 3.35Å; Q804-V853 VanDerWaalsContact O-CG2 3.24Å; Q804-V853 WeakPolarHBondContact O-CG2 3.35Å; Q804-V853 PolarHBondContact O-N 3Å; V806-V853 HydrophobicContact CB-CG2 3.8Å; V806-V853 HydrophobicContact CG2-CG2 3.59Å; I850-V853 HydrophobicContact CB-CG2 4.05Å; I850-V853 HydrophobicContact CG2-CB 4.49Å; I850-V853 HydrophobicContact CG2-CG2 3.75Å; V853-D857 WeakPolarHBondContact CA-OD2 3.19Å; V853-D857 HydrophobicContact CG1-CB 4Å; V853-L878 HydrophobicContact CG1-CD2 3.99Å; V853-L878 HydrophobicContact CG2-CD2 4.3Å; V853-C880 HydrophobicContact CG1-CB 3.67Å | ||
| 854 | I | 87.1 | Confident | 88.5 | Confident | 53.75 Ų | 53.75 | 29.5 Ų | 29.5 | 28% | 0.276 | 18% | 0.183 | S | C | . | . | trans | -115.3 | 162.2 | 174.7 | 55.2 | 171.3 | 0 | 0 | 0 | 110.5 | T856 D857 C880 | I854-T856 VanDerWaalsContact CD1-OG1 3.24Å; I854-T856 WeakPolarHBondContact CD1-OG1 3.34Å; I854-T856 VanDerWaalsContact CG1-OG1 3.3Å; I854-T856 WeakPolarHBondContact CG1-OG1 3.29Å; I854-T856 PolarHBondContact O-N 3.18Å; I854-D857 VanDerWaalsContact CG1-OD2 3.3Å; I854-D857 WeakPolarHBondContact CG1-OD2 3.3Å; I854-D857 PolarHBondContact N-OD2 3.06Å; I854-D857 WeakPolarHBondContact O-CB 3.3Å; I854-D857 PolarHBondContact O-N 3.03Å; I854-C880 VanDerWaalsContact C-SG 3.53Å; I854-C880 WeakPolarHBondContact O-CB 3.43Å | ||
| 855 | P | 84.3 | Confident | 89.2 | Confident | 49.5 Ų | 49.5 | 29.3 Ų | 29.3 | 32% | 0.321 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -52.6 | -32.6 | -176.2 | -31.6 | 37.9 | 0 | 0 | 0 | 114.6 | E802 D857 S858 P882 | E802-P855 VanDerWaalsContact OE1-CD 3.28Å; E802-P855 WeakPolarHBondContact OE1-CD 3.43Å; P855-D857 VanDerWaalsContact C-N 3.29Å; P855-D857 PolarHBondContact O-N 3.07Å; P855-S858 VanDerWaalsContact O-CB 3.29Å; P855-S858 WeakPolarHBondContact O-CB 3.22Å; P855-S858 PolarHBondContact O-N 3Å; P855-S858 PolarHBondContact O-OG 2.89Å; P855-P882 HydrophobicContact CB-CB 4.46Å; P855-P882 HydrophobicContact CG-CB 3.95Å |
| 856 | T | 85.4 | Confident | 89.4 | Confident | 88.75 Ų | 88.75 | 31.8 Ų | 31.8 | 54% | 0.544 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -73 | -12.7 | 178.1 | 56.7 | 0 | 0 | 0 | 0 | 114.8 | Q279 A282 F826 I854 S858 | Q279-T856 HydrophobicContact CB-CG2 4.27Å; A282-T856 HydrophobicContact CB-CG2 4.13Å; F826-T856 WeakPolarHBondContact CZ-O 3.38Å; I854-T856 VanDerWaalsContact CD1-OG1 3.24Å; I854-T856 WeakPolarHBondContact CD1-OG1 3.34Å; I854-T856 VanDerWaalsContact CG1-OG1 3.3Å; I854-T856 WeakPolarHBondContact CG1-OG1 3.29Å; I854-T856 PolarHBondContact O-N 3.18Å; T856-S858 VanDerWaalsContact C-N 3.26Å |
| 857 | D | 89.2 | Confident | 89.3 | Confident | 6.75 Ų | 6.75 | 32.2 Ų | 32.2 | 4% | 0.036 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -81.2 | -4 | 171.8 | -60 | -39.4 | 0 | 0 | 0 | 112.1 | F826 R836 Q837 V853 I854 P855 G859 Y861 L878 | F826-D857 VanDerWaalsContact CE2-O 3.23Å; F826-D857 WeakPolarHBondContact CE2-O 3.31Å; R836-D857 IonicContact CZ-OD1 3.28Å; R836-D857 IonicContact CZ-OD2 2.77Å; R836-D857 IonicContact NH1-OD1 3.56Å; R836-D857 PolarHBondContact NH1-OD1 2.98Å; R836-D857 IonicContact NH1-OD2 2.97Å; R836-D857 PolarHBondContact NH1-OD2 2.99Å; R836-D857 IonicContact NH2-OD1 3.13Å; R836-D857 PolarHBondContact NH2-OD1 2.94Å; R836-D857 IonicContact NH2-OD2 3.42Å; R836-D857 PolarHBondContact NH2-OD2 2.95Å; Q837-D857 PolarHBondContact NE2-OD1 2.88Å; Q837-D857 VanDerWaalsContact NE2-OD1 3.08Å; V853-D857 WeakPolarHBondContact CA-OD2 3.19Å; V853-D857 HydrophobicContact CG1-CB 4Å; I854-D857 VanDerWaalsContact CG1-OD2 3.3Å; I854-D857 WeakPolarHBondContact CG1-OD2 3.3Å; I854-D857 PolarHBondContact N-OD2 3.06Å; I854-D857 WeakPolarHBondContact O-CB 3.3Å; I854-D857 PolarHBondContact O-N 3.03Å; P855-D857 VanDerWaalsContact C-N 3.29Å; P855-D857 PolarHBondContact O-N 3.07Å; D857-G859 PolarHBondContact O-N 3.17Å; D857-Y861 VanDerWaalsContact O-CE2 3.28Å; D857-Y861 WeakPolarHBondContact O-CE2 3.25Å; D857-Y861 PolarHBondContact O-OH 2.96Å; D857-Y861 VanDerWaalsContact O-OH 3.12Å; D857-L878 HydrophobicContact CB-CD2 4.35Å; D857-L878 WeakPolarHBondContact O-CD2 3.35Å |
| 858 | S | 90.1 | Very high | 88.8 | Confident | 34.5 Ų | 34.5 | 36.6 Ų | 36.6 | 24% | 0.241 | 20% | 0.204 | C | C | . | . | trans | -67.1 | 126.8 | 176.5 | -52.7 | 0 | 0 | 0 | 0 | 110.9 | F826 N827 P855 T856 L878 C880 | F826-S858 VanDerWaalsContact CZ-O 3.28Å; F826-S858 WeakPolarHBondContact CZ-O 3.29Å; N827-S858 PolarHBondContact ND2-O 3.37Å; P855-S858 VanDerWaalsContact O-CB 3.29Å; P855-S858 WeakPolarHBondContact O-CB 3.22Å; P855-S858 PolarHBondContact O-N 3Å; P855-S858 PolarHBondContact O-OG 2.89Å; T856-S858 VanDerWaalsContact C-N 3.26Å; S858-L878 CarbonylContact C-O 3.48Å; S858-L878 VanDerWaalsContact CA-O 3.27Å; S858-L878 WeakPolarHBondContact CA-O 3.25Å; S858-C880 VanDerWaalsContact OG-CB 3.31Å; S858-C880 WeakPolarHBondContact OG-CB 3.31Å; S858-C880 PolarHBondContact OG-N 3.11Å | ||
| 859 | G | 90.2 | Very high | 88.4 | Confident | 14.75 Ų | 14.75 | 40.3 Ų | 40.3 | 15% | 0.152 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161 | -172.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F826 N827 D857 G877 L878 | F826-G859 VanDerWaalsContact CE2-CA 3.49Å; N827-G859 VanDerWaalsContact OD1-CA 3.24Å; N827-G859 WeakPolarHBondContact OD1-CA 3.37Å; D857-G859 PolarHBondContact O-N 3.17Å; G859-G877 CarbonylContact O-C 3.56Å; G859-G877 WeakPolarHBondContact O-CA 3.29Å; G859-L878 PolarHBondContact N-O 3.1Å; G859-L878 PolarHBondContact O-N 3.27Å |
| 860 | I | 92.8 | Very high | 88.2 | Confident | 80.5 Ų | 80.5 | 37.9 Ų | 37.9 | 41% | 0.413 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 115.6 | -179.7 | -59 | 173.2 | 0 | 0 | 0 | 108.9 | F826 N827 I876 | F826-I860 CarbonylContact C-O 3.51Å; F826-I860 WeakPolarHBondContact CA-O 3.28Å; N827-I860 PolarHBondContact N-O 3.14Å; N827-I860 PolarHBondContact OD1-N 2.92Å; I860-I876 CarbonylContact C-O 3.55Å; I860-I876 WeakPolarHBondContact CA-O 3.31Å |
| 861 | Y | 93.9 | Very high | 88.1 | Confident | 0.5 Ų | 0.5 | 41.1 Ų | 41.1 | 0% | 0.002 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 130.2 | 170 | -69.9 | -95.1 | 0 | 0 | 0 | 108.9 | F808 Y825 F826 L831 L848 I850 D857 S875 I876 L878 | F808-Y861 HydrophobicContact CD2-CD1 4.36Å; F808-Y861 HydrophobicContact CD2-CD2 4.45Å; F808-Y861 HydrophobicContact CD2-CG 4.17Å; F808-Y861 AromaticContact CE2-CD1 3.78Å; F808-Y861 HydrophobicContact CE2-CD1 3.94Å; F808-Y861 AromaticContact CE2-CD2 3.61Å; F808-Y861 HydrophobicContact CE2-CD2 3.61Å; F808-Y861 VanDerWaalsContact CE2-CD2 3.49Å; F808-Y861 HydrophobicContact CE2-CE1 4.31Å; F808-Y861 AromaticContact CE2-CE2 3.9Å; F808-Y861 HydrophobicContact CE2-CE2 3.99Å; F808-Y861 AromaticContact CE2-CG 3.55Å; F808-Y861 HydrophobicContact CE2-CG 3.67Å; F808-Y861 VanDerWaalsContact CE2-CG 3.47Å; F808-Y861 AromaticContact CZ-CD2 3.78Å; F808-Y861 HydrophobicContact CZ-CD2 4.01Å; F808-Y861 HydrophobicContact CZ-CE2 4.34Å; F808-Y861 HydrophobicContact CZ-CG 4.32Å; Y825-Y861 CarbonylContact O-C 3.47Å; Y825-Y861 VanDerWaalsContact O-CA 3.24Å; Y825-Y861 WeakPolarHBondContact O-CA 3.33Å; F826-Y861 HydrophobicContact CB-CD1 4.39Å; F826-Y861 HydrophobicContact CB-CE1 4.26Å; F826-Y861 HydrophobicContact CD2-CD1 4.18Å; F826-Y861 AromaticContact CD2-CD2 3.98Å; F826-Y861 HydrophobicContact CD2-CD2 4.07Å; F826-Y861 AromaticContact CD2-CE1 3.73Å; F826-Y861 HydrophobicContact CD2-CE1 3.73Å; F826-Y861 AromaticContact CD2-CE2 3.58Å; F826-Y861 HydrophobicContact CD2-CE2 3.58Å; F826-Y861 HydrophobicContact CD2-CG 4.33Å; F826-Y861 AromaticContact CD2-CZ 3.4Å; F826-Y861 VanDerWaalsContact CD2-CZ 3.42Å; F826-Y861 HydrophobicContact CE2-CD2 4.4Å; F826-Y861 HydrophobicContact CE2-CE1 4.44Å; F826-Y861 AromaticContact CE2-CE2 3.68Å; F826-Y861 HydrophobicContact CE2-CE2 3.68Å; F826-Y861 AromaticContact CE2-CZ 3.7Å; F826-Y861 HydrophobicContact CG-CE1 4.31Å; L831-Y861 HydrophobicContact CD1-CD1 4.33Å; L831-Y861 HydrophobicContact CD1-CE1 4Å; L831-Y861 HydrophobicContact CD2-CD1 4.32Å; L831-Y861 HydrophobicContact CD2-CE1 4.24Å; L848-Y861 HydrophobicContact CD2-CD1 3.49Å; L848-Y861 VanDerWaalsContact CD2-CD1 3.42Å; L848-Y861 HydrophobicContact CD2-CE1 3.91Å; L848-Y861 HydrophobicContact CD2-CG 4.26Å; I850-Y861 HydrophobicContact CD1-CE1 3.97Å; I850-Y861 HydrophobicContact CD1-CE2 4.36Å; I850-Y861 VanDerWaalsContact CD1-OH 3.26Å; I850-Y861 WeakPolarHBondContact CD1-OH 3.29Å; D857-Y861 VanDerWaalsContact O-CE2 3.28Å; D857-Y861 WeakPolarHBondContact O-CE2 3.25Å; D857-Y861 PolarHBondContact O-OH 2.96Å; D857-Y861 VanDerWaalsContact O-OH 3.12Å; Y861-S875 CarbonylContact O-C 3.56Å; Y861-S875 WeakPolarHBondContact O-CA 3.4Å; Y861-I876 PolarHBondContact N-O 3.15Å; Y861-I876 PolarHBondContact O-N 2.94Å; Y861-L878 HydrophobicContact CD2-CB 4.03Å; Y861-L878 HydrophobicContact CE2-CB 3.77Å; Y861-L878 HydrophobicContact CE2-CD2 3.75Å; Y861-L878 HydrophobicContact CE2-CG 4.37Å |
| 862 | T | 93.7 | Very high | 88.7 | Confident | 8.75 Ų | 8.75 | 40.2 Ų | 40.2 | 5% | 0.054 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 122 | -179.2 | -60.1 | 0 | 0 | 0 | 0 | 109.7 | W824 Y825 V864 K873 T874 S875 | W824-T862 CarbonylContact C-O 3.5Å; W824-T862 WeakPolarHBondContact CA-O 3.34Å; Y825-T862 WeakPolarHBondContact CB-O 3.33Å; Y825-T862 PolarHBondContact N-O 3.19Å; Y825-T862 PolarHBondContact O-N 2.96Å; T862-V864 HydrophobicContact CG2-CG2 4.05Å; T862-K873 HydrophobicContact CG2-CB 4.28Å; T862-K873 HydrophobicContact CG2-CD 4.38Å; T862-T874 CarbonylContact C-O 3.55Å; T862-T874 VanDerWaalsContact CA-O 3.28Å; T862-T874 WeakPolarHBondContact CA-O 3.34Å; T862-T874 WeakPolarHBondContact CG2-O 3.35Å; T862-S875 WeakPolarHBondContact CB-OG 3.25Å; T862-S875 VanDerWaalsContact CG2-OG 3.3Å; T862-S875 WeakPolarHBondContact CG2-OG 3.33Å; T862-S875 WeakPolarHBondContact OG1-CB 3.4Å; T862-S875 PolarHBondContact OG1-OG 3.11Å |
| 863 | C | 93.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 131.9 | 170.5 | -179.9 | 0 | 0 | 0 | 0 | 109 | F790 L794 C810 E823 W824 K873 T874 | F790-C863 HydrophobicContact CE1-CB 4.34Å; F790-C863 HydrophobicContact CZ-CB 4.25Å; L794-C863 HydrophobicContact CD1-CB 4.19Å; C810-C863 WeakPolarHBondContact SG-CB 3.38Å; C810-C863 PolarHBondContact SG-SG 2.82Å; C810-C863 VanDerWaalsContact SG-SG 3.66Å; E823-C863 CarbonylContact O-C 3.54Å; E823-C863 WeakPolarHBondContact O-CA 3.39Å; W824-C863 HydrophobicContact CD2-CB 4.13Å; W824-C863 HydrophobicContact CE3-CB 4.1Å; W824-C863 HydrophobicContact CH2-CB 4.07Å; W824-C863 HydrophobicContact CZ2-CB 4.04Å; W824-C863 HydrophobicContact CZ3-CB 4.07Å; C863-K873 CarbonylContact O-C 3.56Å; C863-K873 VanDerWaalsContact O-CA 3.26Å; C863-K873 WeakPolarHBondContact O-CA 3.38Å; C863-T874 HydrophobicContact CB-CG2 3.96Å; C863-T874 PolarHBondContact N-O 2.89Å; C863-T874 PolarHBondContact O-N 2.9Å |
| 864 | V | 93.1 | Very high | 89.3 | Confident | 8.75 Ų | 8.75 | 43.5 Ų | 43.5 | 5% | 0.053 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 120.2 | 179.3 | -174.6 | 0 | 0 | 0 | 0 | 109 | V822 E823 Y825 T862 L871 D872 K873 | V822-V864 CarbonylContact C-O 3.52Å; V822-V864 VanDerWaalsContact CA-O 3.27Å; V822-V864 WeakPolarHBondContact CA-O 3.26Å; E823-V864 HydrophobicContact CB-CB 4.42Å; E823-V864 PolarHBondContact N-O 2.94Å; E823-V864 PolarHBondContact O-N 2.9Å; Y825-V864 HydrophobicContact CD2-CB 4.41Å; Y825-V864 HydrophobicContact CD2-CG2 3.72Å; Y825-V864 HydrophobicContact CE2-CB 4.11Å; Y825-V864 HydrophobicContact CE2-CG2 3.72Å; Y825-V864 VanDerWaalsContact CE2-CG2 3.47Å; T862-V864 HydrophobicContact CG2-CG2 4.05Å; V864-L871 HydrophobicContact CG1-CD1 4.27Å; V864-D872 WeakPolarHBondContact CA-O 3.29Å; V864-D872 WeakPolarHBondContact CG1-O 3.23Å; V864-K873 HydrophobicContact CB-CB 4.39Å; V864-K873 HydrophobicContact CB-CG 4.43Å; V864-K873 HydrophobicContact CG1-CB 4.07Å; V864-K873 HydrophobicContact CG1-CG 4.16Å; V864-K873 HydrophobicContact CG2-CB 4.01Å; V864-K873 HydrophobicContact CG2-CD 3.81Å; V864-K873 HydrophobicContact CG2-CG 3.92Å |
| 865 | A | 91.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 131.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109 | P788 F790 F812 S821 V822 L871 D872 | P788-A865 HydrophobicContact CB-CB 3.94Å; P788-A865 HydrophobicContact CG-CB 4.21Å; P788-A865 VanDerWaalsContact CG-O 3.31Å; P788-A865 WeakPolarHBondContact CG-O 3.24Å; F790-A865 HydrophobicContact CE2-CB 4.15Å; F790-A865 HydrophobicContact CZ-CB 3.88Å; F812-A865 HydrophobicContact CB-CB 4.26Å; F812-A865 HydrophobicContact CD1-CB 3.94Å; F812-A865 HydrophobicContact CD2-CB 4.14Å; F812-A865 HydrophobicContact CE1-CB 4.25Å; F812-A865 HydrophobicContact CE2-CB 4.42Å; F812-A865 HydrophobicContact CG-CB 3.84Å; F812-A865 HydrophobicContact CZ-CB 4.43Å; S821-A865 CarbonylContact O-C 3.44Å; S821-A865 WeakPolarHBondContact O-CA 3.31Å; V822-A865 HydrophobicContact CG2-CB 4.11Å; A865-L871 CarbonylContact O-C 3.5Å; A865-L871 WeakPolarHBondContact O-CA 3.41Å; A865-L871 WeakPolarHBondContact O-CB 3.32Å; A865-D872 PolarHBondContact N-O 2.99Å; A865-D872 VanDerWaalsContact N-O 3.08Å; A865-D872 PolarHBondContact O-N 3.08Å |
| 866 | R | 89.6 | Confident | 90 | Very high | 95.25 Ų | 95.25 | 42 Ų | 42 | 36% | 0.359 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 129.9 | -178.1 | 175.1 | -162.8 | -66.2 | -83.3 | 2.6 | 110 | T820 S821 G870 L871 | T820-R866 CarbonylContact C-O 3.5Å; T820-R866 VanDerWaalsContact CA-O 3.25Å; T820-R866 WeakPolarHBondContact CA-O 3.19Å; S821-R866 PolarHBondContact N-O 3.17Å; S821-R866 PolarHBondContact O-N 3.06Å; S821-R866 PolarHBondContact OG-O 2.79Å; S821-R866 VanDerWaalsContact OG-O 3.12Å; R866-G870 CarbonylContact C-O 3.6Å; R866-G870 WeakPolarHBondContact CA-O 3.39Å; R866-L871 HydrophobicContact CB-CB 4.09Å; R866-L871 HydrophobicContact CG-CB 4.39Å |
| 867 | N | 86.3 | Confident | 90.3 | Very high | 9.75 Ų | 9.75 | 38.7 Ų | 38.7 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | -174.4 | 164.3 | 74.6 | 7.1 | 0 | 0 | 0 | 110.9 | A786 P788 D817 T819 T820 N869 G870 | A786-N867 PolarHBondContact O-ND2 2.97Å; P788-N867 VanDerWaalsContact CD-CG 3.48Å; P788-N867 VanDerWaalsContact CD-OD1 3.25Å; P788-N867 WeakPolarHBondContact CD-OD1 3.34Å; D817-N867 HydrophobicContact CB-CB 4.47Å; D817-N867 PolarHBondContact OD2-ND2 2.93Å; D817-N867 VanDerWaalsContact OD2-ND2 3.16Å; T819-N867 WeakPolarHBondContact O-CA 3.24Å; T820-N867 HydrophobicContact CG2-CB 4.45Å; T820-N867 WeakPolarHBondContact OG1-CB 3.44Å; N867-N869 PolarHBondContact O-N 2.92Å; N867-N869 VanDerWaalsContact O-N 3.16Å; N867-N869 WeakPolarHBondContact OD1-CA 3.31Å; N867-N869 WeakPolarHBondContact OD1-CB 3.23Å; N867-N869 PolarHBondContact OD1-N 3.06Å; N867-G870 PolarHBondContact N-O 3.15Å; N867-G870 PolarHBondContact O-N 2.89Å; N867-G870 VanDerWaalsContact O-O 3.08Å; N867-G870 PolarHBondContact OD1-N 2.93Å; N867-G870 VanDerWaalsContact OD1-N 3.09Å; N867-G870 PolarHBondContact OD1-O 2.81Å |
| 868 | K | 80.2 | Confident | 90.5 | Very high | 133 Ų | 133 | 38.8 Ų | 38.8 | 58% | 0.578 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -23 | 177.2 | 52.8 | -176.5 | -179.6 | 174.7 | 0 | 114.7 | T785 T819 | T785-K868 WeakPolarHBondContact OG1-CE 3.29Å; T819-K868 HydrophobicContact CG2-CB 4.2Å; T819-K868 HydrophobicContact CG2-CD 3.88Å; T819-K868 HydrophobicContact CG2-CG 4.23Å; T819-K868 VanDerWaalsContact CG2-NZ 3.34Å; T819-K868 WeakPolarHBondContact OG1-CB 3.27Å; T819-K868 WeakPolarHBondContact OG1-CG 3.44Å; T819-K868 PolarHBondContact OG1-N 2.92Å |
| 869 | N | 82.5 | Confident | 90.5 | Very high | 77.75 Ų | 77.75 | 41.2 Ų | 41.2 | 42% | 0.416 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -12.1 | -173 | -58.7 | -53.8 | 0 | 0 | 0 | 113.7 | T785 N867 | T785-N869 VanDerWaalsContact C-ND2 3.33Å; T785-N869 VanDerWaalsContact O-CB 3.3Å; T785-N869 WeakPolarHBondContact O-CB 3.29Å; T785-N869 PolarHBondContact O-ND2 3.07Å; T785-N869 PolarHBondContact O-OD1 2.78Å; T785-N869 PolarHBondContact OG1-ND2 2.98Å; N867-N869 PolarHBondContact O-N 2.92Å; N867-N869 VanDerWaalsContact O-N 3.16Å; N867-N869 WeakPolarHBondContact OD1-CA 3.31Å; N867-N869 WeakPolarHBondContact OD1-CB 3.23Å; N867-N869 PolarHBondContact OD1-N 3.06Å |
| 870 | G | 84.3 | Confident | 90.3 | Very high | 20.25 Ų | 20.25 | 40.8 Ų | 40.8 | 21% | 0.209 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.4 | -167.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P788 R866 N867 | P788-G870 VanDerWaalsContact CD-O 3.3Å; P788-G870 WeakPolarHBondContact CD-O 3.4Å; R866-G870 CarbonylContact C-O 3.6Å; R866-G870 WeakPolarHBondContact CA-O 3.39Å; N867-G870 PolarHBondContact N-O 3.15Å; N867-G870 PolarHBondContact O-N 2.89Å; N867-G870 VanDerWaalsContact O-O 3.08Å; N867-G870 PolarHBondContact OD1-N 2.93Å; N867-G870 VanDerWaalsContact OD1-N 3.09Å; N867-G870 PolarHBondContact OD1-O 2.81Å |
| 871 | L | 90.7 | Very high | 89.6 | Confident | 67.5 Ų | 67.5 | 40.6 Ų | 40.6 | 35% | 0.353 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 154.4 | 172.9 | 76.5 | 92.6 | 0 | 0 | 0 | 110.3 | V864 A865 R866 K873 | V864-L871 HydrophobicContact CG1-CD1 4.27Å; A865-L871 CarbonylContact O-C 3.5Å; A865-L871 WeakPolarHBondContact O-CA 3.41Å; A865-L871 WeakPolarHBondContact O-CB 3.32Å; R866-L871 HydrophobicContact CB-CB 4.09Å; R866-L871 HydrophobicContact CG-CB 4.39Å; L871-K873 HydrophobicContact CD1-CB 4.21Å; L871-K873 HydrophobicContact CD1-CD 4.33Å; L871-K873 HydrophobicContact CD1-CG 4.18Å |
| 872 | D | 92.2 | Very high | 88.4 | Confident | 48 Ų | 48 | 44.7 Ų | 44.7 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 162.3 | 164.8 | -168.2 | 22.3 | 0 | 0 | 0 | 109.2 | P788 H789 F790 V864 A865 | P788-D872 WeakPolarHBondContact O-CB 3.39Å; H789-D872 VanDerWaalsContact CA-OD2 3.28Å; H789-D872 WeakPolarHBondContact CA-OD2 3.38Å; F790-D872 HydrophobicContact CD2-CB 4.06Å; F790-D872 WeakPolarHBondContact CD2-OD2 3.46Å; F790-D872 HydrophobicContact CE2-CB 4.32Å; F790-D872 WeakPolarHBondContact CE2-O 3.31Å; F790-D872 PolarHBondContact N-OD2 2.9Å; V864-D872 WeakPolarHBondContact CA-O 3.29Å; V864-D872 WeakPolarHBondContact CG1-O 3.23Å; A865-D872 PolarHBondContact N-O 2.99Å; A865-D872 VanDerWaalsContact N-O 3.08Å; A865-D872 PolarHBondContact O-N 3.08Å |
| 873 | K | 92.7 | Very high | 86.7 | Confident | 105.25 Ų | 105.25 | 47.1 Ų | 47.1 | 46% | 0.458 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 147.6 | -177.6 | 46.6 | -177.3 | -178.2 | 176.1 | 0 | 111.8 | T862 C863 V864 L871 | T862-K873 HydrophobicContact CG2-CB 4.28Å; T862-K873 HydrophobicContact CG2-CD 4.38Å; C863-K873 CarbonylContact O-C 3.56Å; C863-K873 VanDerWaalsContact O-CA 3.26Å; C863-K873 WeakPolarHBondContact O-CA 3.38Å; V864-K873 HydrophobicContact CB-CB 4.39Å; V864-K873 HydrophobicContact CB-CG 4.43Å; V864-K873 HydrophobicContact CG1-CB 4.07Å; V864-K873 HydrophobicContact CG1-CG 4.16Å; V864-K873 HydrophobicContact CG2-CB 4.01Å; V864-K873 HydrophobicContact CG2-CD 3.81Å; V864-K873 HydrophobicContact CG2-CG 3.92Å; L871-K873 HydrophobicContact CD1-CB 4.21Å; L871-K873 HydrophobicContact CD1-CD 4.33Å; L871-K873 HydrophobicContact CD1-CG 4.18Å |
| 874 | T | 93.3 | Very high | 84.6 | Confident | 9.75 Ų | 9.75 | 50.7 Ų | 50.7 | 6% | 0.06 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 148.7 | 174.8 | -173.8 | 0 | 0 | 0 | 0 | 110.7 | F790 P793 L794 C810 T862 C863 | F790-T874 HydrophobicContact CD1-CG2 3.6Å; F790-T874 HydrophobicContact CD2-CG2 3.89Å; F790-T874 HydrophobicContact CE1-CG2 3.58Å; F790-T874 HydrophobicContact CE2-CG2 3.87Å; F790-T874 HydrophobicContact CG-CG2 3.77Å; F790-T874 HydrophobicContact CZ-CG2 3.73Å; P793-T874 VanDerWaalsContact C-OG1 3.22Å; P793-T874 WeakPolarHBondContact CA-OG1 3.3Å; P793-T874 VanDerWaalsContact CB-OG1 3.25Å; P793-T874 WeakPolarHBondContact CB-OG1 3.36Å; L794-T874 WeakPolarHBondContact CA-OG1 3.34Å; L794-T874 HydrophobicContact CB-CG2 4.06Å; L794-T874 WeakPolarHBondContact CB-OG1 3.41Å; L794-T874 HydrophobicContact CD1-CG2 3.96Å; L794-T874 HydrophobicContact CG-CG2 3.77Å; L794-T874 PolarHBondContact N-OG1 2.89Å; L794-T874 PolarHBondContact O-OG1 3.04Å; L794-T874 VanDerWaalsContact O-OG1 3.05Å; C810-T874 HydrophobicContact CB-CG2 4.02Å; T862-T874 CarbonylContact C-O 3.55Å; T862-T874 VanDerWaalsContact CA-O 3.28Å; T862-T874 WeakPolarHBondContact CA-O 3.34Å; T862-T874 WeakPolarHBondContact CG2-O 3.35Å; C863-T874 HydrophobicContact CB-CG2 3.96Å; C863-T874 PolarHBondContact N-O 2.89Å; C863-T874 PolarHBondContact O-N 2.9Å |
| 875 | S | 93.3 | Very high | 82 | Confident | 53 Ų | 53 | 54.5 Ų | 54.5 | 37% | 0.371 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 147.7 | -170.8 | -55.2 | 0 | 0 | 0 | 0 | 113.4 | L794 Y861 T862 | L794-S875 CarbonylContact C-O 3.53Å; Y861-S875 CarbonylContact O-C 3.56Å; Y861-S875 WeakPolarHBondContact O-CA 3.4Å; T862-S875 WeakPolarHBondContact CB-OG 3.25Å; T862-S875 VanDerWaalsContact CG2-OG 3.3Å; T862-S875 WeakPolarHBondContact CG2-OG 3.33Å; T862-S875 WeakPolarHBondContact OG1-CB 3.4Å; T862-S875 PolarHBondContact OG1-OG 3.11Å |
| 876 | I | 92.9 | Very high | 79.5 | Confident | 20.25 Ų | 20.25 | 61.2 Ų | 61.2 | 10% | 0.104 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 144.2 | 173.4 | -170.3 | 164.2 | 0 | 0 | 0 | 110.5 | L794 G796 L798 F808 I860 Y861 | L794-I876 HydrophobicContact CB-CB 4.1Å; L794-I876 HydrophobicContact CB-CG2 4.36Å; L794-I876 HydrophobicContact CD1-CG2 4.12Å; G796-I876 WeakPolarHBondContact O-CG1 3.4Å; L798-I876 HydrophobicContact CB-CD1 4.43Å; F808-I876 HydrophobicContact CB-CG2 4.45Å; F808-I876 HydrophobicContact CD1-CD1 3.95Å; F808-I876 HydrophobicContact CD1-CG1 4.46Å; F808-I876 HydrophobicContact CD1-CG2 3.67Å; F808-I876 HydrophobicContact CD2-CG2 4.32Å; F808-I876 HydrophobicContact CE1-CD1 4.05Å; F808-I876 HydrophobicContact CE1-CG1 4.42Å; F808-I876 HydrophobicContact CE1-CG2 3.81Å; F808-I876 HydrophobicContact CE2-CG2 4.35Å; F808-I876 HydrophobicContact CG-CG2 3.96Å; F808-I876 HydrophobicContact CZ-CG2 4.23Å; I860-I876 CarbonylContact C-O 3.55Å; I860-I876 WeakPolarHBondContact CA-O 3.31Å; Y861-I876 PolarHBondContact N-O 3.15Å; Y861-I876 PolarHBondContact O-N 2.94Å |
| 877 | G | 91.1 | Very high | 77.1 | Confident | 19.25 Ų | 19.25 | 65.4 Ų | 65.4 | 20% | 0.198 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 135.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G796 E797 L798 G859 | G796-G877 PolarHBondContact O-N 2.98Å; G796-G877 VanDerWaalsContact O-N 3.16Å; E797-G877 CarbonylContact C-O 3.56Å; E797-G877 WeakPolarHBondContact CA-O 3.38Å; L798-G877 PolarHBondContact N-O 2.95Å; G859-G877 CarbonylContact O-C 3.56Å; G859-G877 WeakPolarHBondContact O-CA 3.29Å |
| 878 | L | 92.7 | Very high | 74.9 | Confident | 7.5 Ų | 7.5 | 72.1 Ų | 72.1 | 4% | 0.039 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 130.8 | 169.9 | -176 | 58.5 | 0 | 0 | 0 | 109.7 | L798 V800 V806 F808 I850 V853 D857 S858 G859 Y861 | L798-L878 HydrophobicContact CB-CD1 4.19Å; L798-L878 HydrophobicContact CD2-CD1 4.04Å; L798-L878 HydrophobicContact CG-CD1 4.12Å; L798-L878 CarbonylContact O-C 3.57Å; L798-L878 VanDerWaalsContact O-CA 3.31Å; L798-L878 WeakPolarHBondContact O-CA 3.22Å; V800-L878 HydrophobicContact CG1-CD1 4.38Å; V800-L878 HydrophobicContact CG2-CD1 3.91Å; V806-L878 HydrophobicContact CG1-CD1 4.38Å; V806-L878 HydrophobicContact CG2-CD1 4.22Å; F808-L878 HydrophobicContact CE2-CD2 4.24Å; F808-L878 HydrophobicContact CZ-CB 4.04Å; F808-L878 HydrophobicContact CZ-CD1 4.21Å; F808-L878 HydrophobicContact CZ-CD2 4.08Å; F808-L878 HydrophobicContact CZ-CG 4.27Å; I850-L878 HydrophobicContact CD1-CD2 4.07Å; V853-L878 HydrophobicContact CG1-CD2 3.99Å; V853-L878 HydrophobicContact CG2-CD2 4.3Å; D857-L878 HydrophobicContact CB-CD2 4.35Å; D857-L878 WeakPolarHBondContact O-CD2 3.35Å; S858-L878 CarbonylContact C-O 3.48Å; S858-L878 VanDerWaalsContact CA-O 3.27Å; S858-L878 WeakPolarHBondContact CA-O 3.25Å; G859-L878 PolarHBondContact N-O 3.1Å; G859-L878 PolarHBondContact O-N 3.27Å; Y861-L878 HydrophobicContact CD2-CB 4.03Å; Y861-L878 HydrophobicContact CE2-CB 3.77Å; Y861-L878 HydrophobicContact CE2-CD2 3.75Å; Y861-L878 HydrophobicContact CE2-CG 4.37Å |
| 879 | L | 89.8 | Confident | 73.1 | Confident | 86.25 Ų | 86.25 | 73 Ų | 73 | 45% | 0.452 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 110 | 171.3 | 179.2 | 63.8 | 0 | 0 | 0 | 109.3 | L798 T799 V800 L881 | L798-L879 PolarHBondContact O-N 2.96Å; T799-L879 CarbonylContact C-O 3.55Å; T799-L879 VanDerWaalsContact CA-O 3.25Å; T799-L879 WeakPolarHBondContact CA-O 3.31Å; T799-L879 HydrophobicContact CG2-CB 4.36Å; T799-L879 HydrophobicContact CG2-CD2 4.12Å; T799-L879 HydrophobicContact CG2-CG 4.29Å; V800-L879 PolarHBondContact N-O 2.92Å; L879-L881 HydrophobicContact CD2-CD2 4.16Å; L879-L881 HydrophobicContact CG-CD2 4.24Å; L879-L881 PolarHBondContact O-N 2.92Å |
| 880 | C | 86.8 | Confident | 71.2 | Confident | 5.25 Ų | 5.25 | 72.3 Ų | 72.3 | 4% | 0.035 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 118.2 | 170.5 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | V800 E802 V853 I854 S858 P882 | V800-C880 HydrophobicContact CG2-CB 4.4Å; V800-C880 CarbonylContact O-C 3.59Å; V800-C880 WeakPolarHBondContact O-CA 3.34Å; E802-C880 VanDerWaalsContact CA-SG 3.56Å; E802-C880 WeakPolarHBondContact CA-SG 3.43Å; E802-C880 PolarHBondContact N-SG 2.87Å; V853-C880 HydrophobicContact CG1-CB 3.67Å; I854-C880 VanDerWaalsContact C-SG 3.53Å; I854-C880 WeakPolarHBondContact O-CB 3.43Å; S858-C880 VanDerWaalsContact OG-CB 3.31Å; S858-C880 WeakPolarHBondContact OG-CB 3.31Å; S858-C880 PolarHBondContact OG-N 3.11Å; C880-P882 WeakPolarHBondContact O-CD 3.42Å |
| 881 | L | 78.6 | Confident | 69.2 | Low | 76.75 Ų | 76.75 | 79.9 Ų | 79.9 | 40% | 0.402 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 116 | 171 | -59.8 | 178.7 | 0 | 0 | 0 | 108.1 | T799 V800 Q801 E802 L879 T883 | T799-L881 HydrophobicContact CG2-CD1 3.66Å; T799-L881 HydrophobicContact CG2-CD2 4.21Å; T799-L881 HydrophobicContact CG2-CG 3.7Å; V800-L881 PolarHBondContact O-N 3.1Å; Q801-L881 WeakPolarHBondContact CA-O 3.35Å; E802-L881 PolarHBondContact N-O 3.15Å; E802-L881 VanDerWaalsContact N-O 3.12Å; L879-L881 HydrophobicContact CD2-CD2 4.16Å; L879-L881 HydrophobicContact CG-CD2 4.24Å; L879-L881 PolarHBondContact O-N 2.92Å; L881-T883 PolarHBondContact O-N 3.19Å |
| 882 | P | 68.1 | Low | 66.9 | Low | 87 Ų | 87 | 82.2 Ų | 82.2 | 57% | 0.565 | 45% | 0.451 | S | S | * | . | trans | -61.3 | 135.5 | 179.6 | 23.5 | -32 | 0 | 0 | 0 | 110.5 | P855 C880 G884 | P855-P882 HydrophobicContact CB-CB 4.46Å; P855-P882 HydrophobicContact CG-CB 3.95Å; C880-P882 WeakPolarHBondContact O-CD 3.42Å; P882-G884 PolarHBondContact O-N 3.21Å; P882-G884 VanDerWaalsContact O-N 3.11Å | ||
| 883 | T | 58.8 | Low | 64.8 | Low | 59 Ų | 59 | 87.1 Ų | 87.1 | 36% | 0.362 | 47% | 0.472 | S | S | . | . | trans | -73.8 | 98.2 | 170.6 | 37.5 | 0 | 0 | 0 | 0 | 107.8 | Q801 E802 L881 S885 | Q801-T883 HydrophobicContact CB-CG2 4Å; E802-T883 HydrophobicContact CB-CG2 4.17Å; E802-T883 WeakPolarHBondContact CB-OG1 3.27Å; E802-T883 WeakPolarHBondContact O-CG2 3.5Å; E802-T883 PolarHBondContact O-OG1 3.21Å; E802-T883 PolarHBondContact OE2-N 3.24Å; E802-T883 PolarHBondContact OE2-OG1 3.03Å; L881-T883 PolarHBondContact O-N 3.19Å; T883-S885 PolarHBondContact O-N 3.22Å | ||
| 884 | G | 48 | Very low | 63.1 | Low | 75.5 Ų | 75.5 | 88.1 Ų | 88.1 | 78% | 0.778 | 48% | 0.479 | S | S | * | . | trans | -61 | 77.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P882 L886 M1052 | P882-G884 PolarHBondContact O-N 3.21Å; P882-G884 VanDerWaalsContact O-N 3.11Å; G884-L886 VanDerWaalsContact C-N 3.3Å; G884-L886 PolarHBondContact O-N 3.38Å; G884-M1052 VanDerWaalsContact O-SD 3.4Å | ||
| 885 | S | 39.6 | Very low | 61 | Low | 88 Ų | 88 | 89.5 Ų | 89.5 | 62% | 0.615 | 49% | 0.489 | S | S | * | . | trans | -117.1 | 63.1 | 172.8 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | T883 Y887 M1052 | T883-S885 PolarHBondContact O-N 3.22Å; S885-Y887 PolarHBondContact O-N 2.96Å; S885-M1052 VanDerWaalsContact CA-SD 3.52Å; S885-M1052 PolarHBondContact N-SD 2.88Å; S885-M1052 VanDerWaalsContact N-SD 3.45Å | ||
| 886 | L | 37.6 | Very low | 59 | Low | 141.5 Ų | 141.5 | 93.4 Ų | 93.4 | 74% | 0.741 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 64.1 | 176.6 | -88 | 138.5 | 0 | 0 | 0 | 113 | G884 L888 | G884-L886 VanDerWaalsContact C-N 3.3Å; G884-L886 PolarHBondContact O-N 3.38Å; L886-L888 HydrophobicContact CB-CD1 4.32Å; L886-L888 HydrophobicContact CD1-CD1 4.4Å; L886-L888 PolarHBondContact O-N 3.05Å; L886-L888 VanDerWaalsContact O-N 3.07Å |
| 887 | Y | 38.9 | Very low | 57.6 | Low | 182 Ų | 182 | 98.9 Ų | 98.9 | 71% | 0.714 | 52% | 0.519 | S | S | * | . | trans | -84.9 | 22 | -173.9 | -124.8 | -91.3 | 0 | 0 | 0 | 112.5 | S885 E889 S890 R1049 | S885-Y887 PolarHBondContact O-N 2.96Å; Y887-E889 VanDerWaalsContact C-N 3.35Å; Y887-S890 PolarHBondContact O-OG 2.88Å; Y887-R1049 PolarHBondContact OH-NH1 2.77Å; Y887-R1049 PolarHBondContact OH-NH2 2.97Å; Y887-R1049 VanDerWaalsContact OH-NH2 3.1Å | ||
| 888 | L | 41.2 | Very low | 56.2 | Low | 152.25 Ų | 152.25 | 105 Ų | 105 | 80% | 0.797 | 54% | 0.539 | S | S | * | . | trans | -88.4 | -11.4 | 179.3 | -90.4 | 129.8 | 0 | 0 | 0 | 114.4 | L886 S890 | L886-L888 HydrophobicContact CB-CD1 4.32Å; L886-L888 HydrophobicContact CD1-CD1 4.4Å; L886-L888 PolarHBondContact O-N 3.05Å; L886-L888 VanDerWaalsContact O-N 3.07Å; L888-S890 VanDerWaalsContact C-N 3.3Å; L888-S890 PolarHBondContact O-N 3.05Å | ||
| 889 | E | 41.6 | Very low | 54.6 | Low | 151.25 Ų | 151.25 | 107.9 Ų | 107.9 | 71% | 0.707 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -77.9 | 47.5 | 173.6 | -67.3 | -167.4 | 149.7 | 0 | 0 | 112.4 | Y887 Q891 S895 I899 | Y887-E889 VanDerWaalsContact C-N 3.35Å; E889-Q891 PolarHBondContact O-N 2.92Å; E889-S895 WeakPolarHBondContact O-CB 3.36Å; E889-S895 PolarHBondContact O-OG 2.92Å; E889-I899 HydrophobicContact CB-CD1 3.88Å; E889-I899 WeakPolarHBondContact OE2-CD1 3.23Å |
| 890 | S | 42.2 | Very low | 53.2 | Low | 61.75 Ų | 61.75 | 108.8 Ų | 108.8 | 43% | 0.432 | 56% | 0.555 | S | S | . | * | trans | -73.5 | 61.4 | 176.8 | 92.8 | 0 | 0 | 0 | 0 | 112.9 | Y887 L888 H892 W896 | Y887-S890 PolarHBondContact O-OG 2.88Å; L888-S890 VanDerWaalsContact C-N 3.3Å; L888-S890 PolarHBondContact O-N 3.05Å; S890-H892 PolarHBondContact O-N 2.81Å; S890-W896 PolarHBondContact O-NE1 3.02Å; S890-W896 VanDerWaalsContact O-NE1 3.13Å | ||
| 891 | Q | 43.1 | Very low | 52.2 | Low | 180.75 Ų | 180.75 | 111.4 Ų | 111.4 | 85% | 0.845 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -84.5 | 16.9 | -173.3 | -61.5 | -169.7 | 4.3 | 0 | 0 | 115.3 | E889 | E889-Q891 PolarHBondContact O-N 2.92Š|
| 892 | H | 42.8 | Very low | 51.3 | Low | 115.5 Ų | 115.5 | 115.5 Ų | 115.5 | 54% | 0.535 | 59% | 0.591 | S | S | . | * | trans | -124.1 | 114.9 | -179.2 | -136.7 | -94.7 | 0 | 0 | 0 | 111.8 | S890 E894 S895 W896 | S890-H892 PolarHBondContact O-N 2.81Å; H892-E894 IonicContact CE1-OE2 2.88Å; H892-E894 PolarHBondContact O-N 2.95Å; H892-E894 VanDerWaalsContact O-N 3.12Å; H892-S895 WeakPolarHBondContact O-CA 3.33Å; H892-S895 VanDerWaalsContact O-CB 3.22Å; H892-S895 WeakPolarHBondContact O-CB 3.32Å; H892-S895 PolarHBondContact O-N 2.94Å; H892-W896 PolarHBondContact O-N 3.25Å | ||
| 893 | E | 48.3 | Very low | 50.5 | Low | 151 Ų | 151 | 117.3 Ų | 117.3 | 71% | 0.706 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61 | -28.3 | -176.3 | -160 | -171.6 | 158.1 | 0 | 0 | 113.3 | S895 K897 | E893-S895 VanDerWaalsContact C-N 3.31Å; E893-S895 PolarHBondContact O-N 2.91Å; E893-K897 WeakPolarHBondContact O-CG 3.38Å; E893-K897 PolarHBondContact O-N 3.22Å; E893-K897 VanDerWaalsContact O-N 3.16Å; E893-K897 VanDerWaalsContact OE1-CE 3.27Å; E893-K897 WeakPolarHBondContact OE1-CE 3.43Å; E893-K897 IonicContact OE1-NZ 3.58Å; E893-K897 PolarHBondContact OE1-NZ 2.87Å |
| 894 | E | 56.9 | Low | 50.4 | Low | 127.5 Ų | 127.5 | 121.8 Ų | 121.8 | 60% | 0.596 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -73 | -27.3 | 173.9 | -66.6 | -169 | 147.9 | 0 | 0 | 113.6 | H892 K897 K898 | H892-E894 IonicContact CE1-OE2 2.88Å; H892-E894 PolarHBondContact O-N 2.95Å; H892-E894 VanDerWaalsContact O-N 3.12Å; E894-K897 PolarHBondContact O-N 2.78Å; E894-K898 WeakPolarHBondContact O-CG 3.4Å; E894-K898 PolarHBondContact O-N 3.01Å; E894-K898 VanDerWaalsContact O-N 3.11Å |
| 895 | S | 49.4 | Very low | 50.6 | Low | 39 Ų | 39 | 121.5 Ų | 121.5 | 27% | 0.273 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -70.2 | -39.7 | 178.2 | -61.1 | 0 | 0 | 0 | 0 | 110.8 | E889 H892 E893 K897 K898 I899 | E889-S895 WeakPolarHBondContact O-CB 3.36Å; E889-S895 PolarHBondContact O-OG 2.92Å; H892-S895 WeakPolarHBondContact O-CA 3.33Å; H892-S895 VanDerWaalsContact O-CB 3.22Å; H892-S895 WeakPolarHBondContact O-CB 3.32Å; H892-S895 PolarHBondContact O-N 2.94Å; E893-S895 VanDerWaalsContact C-N 3.31Å; E893-S895 PolarHBondContact O-N 2.91Å; S895-K897 VanDerWaalsContact C-N 3.3Å; S895-K897 PolarHBondContact O-N 2.75Å; S895-K898 PolarHBondContact O-N 2.99Å; S895-K898 VanDerWaalsContact O-N 3.09Å; S895-I899 WeakPolarHBondContact O-CB 3.47Å; S895-I899 VanDerWaalsContact O-CG1 3.24Å; S895-I899 WeakPolarHBondContact O-CG1 3.35Å; S895-I899 PolarHBondContact O-N 3.1Å |
| 896 | W | 51.2 | Low | 50.6 | Low | 133.5 Ų | 133.5 | 123.7 Ų | 123.7 | 51% | 0.506 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61 | -38.9 | 174.6 | -112.3 | 123.8 | 0 | 0 | 0 | 112.6 | S890 H892 K898 I899 K900 C1111 | S890-W896 PolarHBondContact O-NE1 3.02Å; S890-W896 VanDerWaalsContact O-NE1 3.13Å; H892-W896 PolarHBondContact O-N 3.25Å; W896-K898 VanDerWaalsContact C-N 3.34Å; W896-K898 PolarHBondContact O-N 3.4Å; W896-I899 HydrophobicContact CE3-CB 4.01Å; W896-I899 HydrophobicContact CE3-CD1 3.93Å; W896-I899 HydrophobicContact CE3-CG2 4.05Å; W896-I899 HydrophobicContact CZ3-CB 4.19Å; W896-I899 HydrophobicContact CZ3-CD1 4.22Å; W896-I899 HydrophobicContact CZ3-CG2 3.7Å; W896-I899 PolarHBondContact O-N 2.88Å; W896-K900 HydrophobicContact CE3-CB 4.15Å; W896-K900 HydrophobicContact CE3-CD 4.34Å; W896-K900 HydrophobicContact CZ3-CB 4.1Å; W896-K900 HydrophobicContact CZ3-CD 3.86Å; W896-K900 HydrophobicContact CZ3-CG 4.17Å; W896-K900 WeakPolarHBondContact O-CB 3.34Å; W896-K900 PolarHBondContact O-N 3.1Å; W896-K900 VanDerWaalsContact O-N 3.07Å; W896-C1111 HydrophobicContact CH2-CB 3.82Å; W896-C1111 WeakPolarHBondContact CH2-O 3.48Å; W896-C1111 HydrophobicContact CZ2-CB 3.83Å; W896-C1111 HydrophobicContact CZ3-CB 4.36Å |
| 897 | K | 62.4 | Low | 50.9 | Low | 137.25 Ų | 137.25 | 122.6 Ų | 122.6 | 60% | 0.597 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.6 | -35.2 | 174.9 | -70.8 | 173.6 | -174.6 | 163.3 | 0 | 112.6 | E893 E894 S895 A901 | E893-K897 WeakPolarHBondContact O-CG 3.38Å; E893-K897 PolarHBondContact O-N 3.22Å; E893-K897 VanDerWaalsContact O-N 3.16Å; E893-K897 VanDerWaalsContact OE1-CE 3.27Å; E893-K897 WeakPolarHBondContact OE1-CE 3.43Å; E893-K897 IonicContact OE1-NZ 3.58Å; E893-K897 PolarHBondContact OE1-NZ 2.87Å; E894-K897 PolarHBondContact O-N 2.78Å; S895-K897 VanDerWaalsContact C-N 3.3Å; S895-K897 PolarHBondContact O-N 2.75Å; K897-A901 VanDerWaalsContact O-CB 3.27Å; K897-A901 WeakPolarHBondContact O-CB 3.34Å; K897-A901 PolarHBondContact O-N 2.8Å; K897-A901 VanDerWaalsContact O-N 3.1Å |
| 898 | K | 61.5 | Low | 51 | Low | 145.5 Ų | 145.5 | 122.9 Ų | 122.9 | 63% | 0.633 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72.1 | -40.9 | 174.9 | -76.7 | 175.9 | -179.5 | 167 | 0 | 112.4 | E894 S895 W896 A901 F902 | E894-K898 WeakPolarHBondContact O-CG 3.4Å; E894-K898 PolarHBondContact O-N 3.01Å; E894-K898 VanDerWaalsContact O-N 3.11Å; S895-K898 PolarHBondContact O-N 2.99Å; S895-K898 VanDerWaalsContact O-N 3.09Å; W896-K898 VanDerWaalsContact C-N 3.34Å; W896-K898 PolarHBondContact O-N 3.4Å; K898-A901 PolarHBondContact O-N 2.98Å; K898-F902 WeakPolarHBondContact O-CB 3.39Å; K898-F902 WeakPolarHBondContact O-CD2 3.27Å; K898-F902 PolarHBondContact O-N 3Å |
| 899 | I | 59 | Low | 50.8 | Low | 69.75 Ų | 69.75 | 126.2 Ų | 126.2 | 36% | 0.358 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.3 | -48.8 | 178 | -68.2 | 163.5 | 0 | 0 | 0 | 110 | E889 S895 W896 A901 F902 E903 | E889-I899 HydrophobicContact CB-CD1 3.88Å; E889-I899 WeakPolarHBondContact OE2-CD1 3.23Å; S895-I899 WeakPolarHBondContact O-CB 3.47Å; S895-I899 VanDerWaalsContact O-CG1 3.24Å; S895-I899 WeakPolarHBondContact O-CG1 3.35Å; S895-I899 PolarHBondContact O-N 3.1Å; W896-I899 HydrophobicContact CE3-CB 4.01Å; W896-I899 HydrophobicContact CE3-CD1 3.93Å; W896-I899 HydrophobicContact CE3-CG2 4.05Å; W896-I899 HydrophobicContact CZ3-CB 4.19Å; W896-I899 HydrophobicContact CZ3-CD1 4.22Å; W896-I899 HydrophobicContact CZ3-CG2 3.7Å; W896-I899 PolarHBondContact O-N 2.88Å; I899-A901 VanDerWaalsContact C-N 3.31Å; I899-A901 PolarHBondContact O-N 3.35Å; I899-F902 CarbonylContact O-C 3.58Å; I899-F902 WeakPolarHBondContact O-CA 3.42Å; I899-F902 WeakPolarHBondContact O-CB 3.43Å; I899-F902 PolarHBondContact O-N 3.13Å; I899-E903 HydrophobicContact CG2-CG 4.41Å; I899-E903 WeakPolarHBondContact O-CG 3.39Å; I899-E903 PolarHBondContact O-N 3.17Å |
| 900 | K | 60.9 | Low | 50.7 | Low | 105.75 Ų | 105.75 | 124.3 Ų | 124.3 | 46% | 0.46 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -58.6 | -41.2 | 175.5 | -123.8 | -179.7 | -177.2 | 172.4 | 0 | 112.9 | W896 F902 E903 E904 | W896-K900 HydrophobicContact CE3-CB 4.15Å; W896-K900 HydrophobicContact CE3-CD 4.34Å; W896-K900 HydrophobicContact CZ3-CB 4.1Å; W896-K900 HydrophobicContact CZ3-CD 3.86Å; W896-K900 HydrophobicContact CZ3-CG 4.17Å; W896-K900 WeakPolarHBondContact O-CB 3.34Å; W896-K900 PolarHBondContact O-N 3.1Å; W896-K900 VanDerWaalsContact O-N 3.07Å; K900-F902 VanDerWaalsContact C-N 3.27Å; K900-F902 PolarHBondContact O-N 3.01Å; K900-E903 PolarHBondContact O-N 2.92Å; K900-E904 WeakPolarHBondContact CE-OE1 3.41Å; K900-E904 HydrophobicContact CG-CG 4.42Å; K900-E904 WeakPolarHBondContact CG-OE1 3.4Å; K900-E904 VanDerWaalsContact O-CB 3.3Å; K900-E904 WeakPolarHBondContact O-CB 3.27Å; K900-E904 VanDerWaalsContact O-CG 3.31Å; K900-E904 WeakPolarHBondContact O-CG 3.42Å; K900-E904 PolarHBondContact O-N 2.95Å |
| 901 | A | 66.9 | Low | 50.4 | Low | 59 Ų | 59 | 127 Ų | 127 | 49% | 0.488 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -69.5 | -21.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K897 K898 I899 A905 | K897-A901 VanDerWaalsContact O-CB 3.27Å; K897-A901 WeakPolarHBondContact O-CB 3.34Å; K897-A901 PolarHBondContact O-N 2.8Å; K897-A901 VanDerWaalsContact O-N 3.1Å; K898-A901 PolarHBondContact O-N 2.98Å; I899-A901 VanDerWaalsContact C-N 3.31Å; I899-A901 PolarHBondContact O-N 3.35Å; A901-A905 WeakPolarHBondContact O-CB 3.35Å |
| 902 | F | 58.2 | Low | 50 | Low | 162 Ų | 162 | 123.4 Ų | 123.4 | 71% | 0.711 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -85.5 | -35.1 | 173.4 | -117.6 | -87.9 | 0 | 0 | 0 | 112.1 | K898 I899 K900 A905 | K898-F902 WeakPolarHBondContact O-CB 3.39Å; K898-F902 WeakPolarHBondContact O-CD2 3.27Å; K898-F902 PolarHBondContact O-N 3Å; I899-F902 CarbonylContact O-C 3.58Å; I899-F902 WeakPolarHBondContact O-CA 3.42Å; I899-F902 WeakPolarHBondContact O-CB 3.43Å; I899-F902 PolarHBondContact O-N 3.13Å; K900-F902 VanDerWaalsContact C-N 3.27Å; K900-F902 PolarHBondContact O-N 3.01Å; F902-A905 PolarHBondContact O-N 3.01Å |
| 903 | E | 51.1 | Low | 49.9 | Very low | 125.25 Ų | 125.25 | 123.4 Ų | 123.4 | 59% | 0.585 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.9 | -41.3 | 174.6 | -72.9 | 178.2 | 150.2 | 0 | 0 | 112 | I899 K900 A905 Q906 | I899-E903 HydrophobicContact CG2-CG 4.41Å; I899-E903 WeakPolarHBondContact O-CG 3.39Å; I899-E903 PolarHBondContact O-N 3.17Å; K900-E903 PolarHBondContact O-N 2.92Å; E903-A905 VanDerWaalsContact C-N 3.31Å; E903-A905 PolarHBondContact O-N 3.11Å; E903-A905 VanDerWaalsContact O-N 3.11Å; E903-Q906 PolarHBondContact O-N 2.8Å |
| 904 | E | 56.7 | Low | 49.5 | Very low | 153.25 Ų | 153.25 | 124.1 Ų | 124.1 | 72% | 0.716 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -11.1 | 176.1 | -71.3 | 175 | 179.7 | 0 | 0 | 113.1 | K900 | K900-E904 WeakPolarHBondContact CE-OE1 3.41Å; K900-E904 HydrophobicContact CG-CG 4.42Å; K900-E904 WeakPolarHBondContact CG-OE1 3.4Å; K900-E904 VanDerWaalsContact O-CB 3.3Å; K900-E904 WeakPolarHBondContact O-CB 3.27Å; K900-E904 VanDerWaalsContact O-CG 3.31Å; K900-E904 WeakPolarHBondContact O-CG 3.42Å; K900-E904 PolarHBondContact O-N 2.95Å |
| 905 | A | 52.8 | Low | 48.8 | Very low | 70 Ų | 70 | 123.5 Ų | 123.5 | 58% | 0.579 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | 9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | A901 F902 E903 | A901-A905 WeakPolarHBondContact O-CB 3.35Å; F902-A905 PolarHBondContact O-N 3.01Å; E903-A905 VanDerWaalsContact C-N 3.31Å; E903-A905 PolarHBondContact O-N 3.11Å; E903-A905 VanDerWaalsContact O-N 3.11Å |
| 906 | Q | 40.9 | Very low | 48.6 | Very low | 134.25 Ų | 134.25 | 130.3 Ų | 130.3 | 63% | 0.627 | 67% | 0.669 | S | S | * | * | trans | -106.4 | 112.4 | 173.2 | -72.2 | -140.4 | -16 | 0 | 0 | 112.6 | E903 E908 | E903-Q906 PolarHBondContact O-N 2.8Å; Q906-E908 PolarHBondContact O-N 3.13Å | ||
| 907 | P | 42.3 | Very low | 48.9 | Very low | 117.75 Ų | 117.75 | 128.5 Ų | 128.5 | 77% | 0.765 | 66% | 0.664 | S | S | * | * | trans | -76.8 | 77.6 | 176.2 | 20.8 | -19.7 | 0 | 0 | 0 | 113.7 | R909 | P907-R909 PolarHBondContact O-N 3.15Å; P907-R909 VanDerWaalsContact O-N 3.13Å | ||
| 908 | E | 40.9 | Very low | 48.9 | Very low | 189.25 Ų | 189.25 | 125.2 Ų | 125.2 | 88% | 0.884 | 66% | 0.663 | S | S | * | * | trans | -95.4 | 92.5 | -179.3 | -67.5 | -166.2 | 168.8 | 0 | 0 | 112.5 | Q906 P910 | Q906-E908 PolarHBondContact O-N 3.13Å; E908-P910 WeakPolarHBondContact O-CD 3.24Å | ||
| 909 | R | 37.9 | Very low | 49.1 | Very low | 220.5 Ų | 220.5 | 121.7 Ų | 121.7 | 83% | 0.832 | 66% | 0.661 | S | S | * | * | trans | -84.8 | 126 | 175.2 | -127.6 | 179.6 | -165.3 | -171.4 | 3.7 | 109.8 | P907 S911 | P907-R909 PolarHBondContact O-N 3.15Å; P907-R909 VanDerWaalsContact O-N 3.13Å; R909-S911 PolarHBondContact O-N 2.56Å | ||
| 910 | P | 39.5 | Very low | 49.6 | Very low | 112.75 Ų | 112.75 | 121.1 Ų | 121.1 | 73% | 0.732 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -63 | 151.6 | 174.4 | 16.8 | -19.2 | 0 | 0 | 0 | 110.9 | E908 S912 | E908-P910 WeakPolarHBondContact O-CD 3.24Å; P910-S912 PolarHBondContact O-N 3.09Å; P910-S912 VanDerWaalsContact O-N 3.13Å |
| 911 | S | 36.5 | Very low | 50.3 | Low | 116.75 Ų | 116.75 | 120.8 Ų | 120.8 | 82% | 0.816 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 129 | 179.1 | 48.4 | 0 | 0 | 0 | 0 | 112.1 | R909 | R909-S911 PolarHBondContact O-N 2.56Š|
| 912 | S | 34 | Very low | 50.8 | Low | 105 Ų | 105 | 121.9 Ų | 121.9 | 73% | 0.734 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 135.9 | 176.6 | -36.2 | 0 | 0 | 0 | 0 | 111.1 | K832 P910 E914 | K832-S912 PolarHBondContact NZ-O 3.31Å; P910-S912 PolarHBondContact O-N 3.09Å; P910-S912 VanDerWaalsContact O-N 3.13Å; S912-E914 PolarHBondContact O-N 2.7Å |
| 913 | P | 40.5 | Very low | 51.6 | Low | 116 Ų | 116 | 117.4 Ų | 117.4 | 75% | 0.753 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 146.8 | -179.6 | 26.5 | -33.4 | 0 | 0 | 0 | 111 | K832 V915 | K832-P913 PolarHBondContact NZ-O 3.15Å; P913-V915 PolarHBondContact O-N 3.18Å; P913-V915 VanDerWaalsContact O-N 3.14Å |
| 914 | E | 40.1 | Very low | 52.7 | Low | 165.5 Ų | 165.5 | 113.7 Ų | 113.7 | 77% | 0.773 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 125.5 | 168.8 | -74.7 | 175.5 | 146.4 | 0 | 0 | 109.7 | S912 K916 | S912-E914 PolarHBondContact O-N 2.7Å; E914-K916 VanDerWaalsContact C-N 3.34Å; E914-K916 PolarHBondContact O-N 2.93Å; E914-K916 VanDerWaalsContact O-N 3.07Å |
| 915 | V | 42.3 | Very low | 53.8 | Low | 115.5 Ų | 115.5 | 110.3 Ų | 110.3 | 70% | 0.7 | 62% | 0.617 | S | S | * | * | trans | -71.8 | 101.5 | 171 | 180 | 0 | 0 | 0 | 0 | 107.4 | P913 F917 | P913-V915 PolarHBondContact O-N 3.18Å; P913-V915 VanDerWaalsContact O-N 3.14Å; V915-F917 HydrophobicContact CB-CE2 4.44Å; V915-F917 HydrophobicContact CB-CZ 4.42Å; V915-F917 HydrophobicContact CG1-CD1 4.29Å; V915-F917 HydrophobicContact CG1-CD2 4.48Å; V915-F917 HydrophobicContact CG1-CE1 4.1Å; V915-F917 HydrophobicContact CG1-CE2 4.28Å; V915-F917 HydrophobicContact CG1-CG 4.49Å; V915-F917 HydrophobicContact CG1-CZ 4.03Å; V915-F917 WeakPolarHBondContact O-CD2 3.49Å; V915-F917 PolarHBondContact O-N 2.91Å | ||
| 916 | K | 45.9 | Very low | 54.9 | Low | 182 Ų | 182 | 109.9 Ų | 109.9 | 79% | 0.791 | 61% | 0.605 | S | S | * | * | trans | -78.8 | 107.4 | 170.6 | -70.8 | -176.4 | 178.1 | -178.7 | 0 | 108.7 | E914 A918 | E914-K916 VanDerWaalsContact C-N 3.34Å; E914-K916 PolarHBondContact O-N 2.93Å; E914-K916 VanDerWaalsContact O-N 3.07Å; K916-A918 PolarHBondContact O-N 3.14Å | ||
| 917 | F | 55.8 | Low | 56.5 | Low | 95.75 Ų | 95.75 | 108.6 Ų | 108.6 | 42% | 0.42 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 137.8 | 166.6 | -61.9 | -81.5 | 0 | 0 | 0 | 109.5 | V915 P946 D949 | V915-F917 HydrophobicContact CB-CE2 4.44Å; V915-F917 HydrophobicContact CB-CZ 4.42Å; V915-F917 HydrophobicContact CG1-CD1 4.29Å; V915-F917 HydrophobicContact CG1-CD2 4.48Å; V915-F917 HydrophobicContact CG1-CE1 4.1Å; V915-F917 HydrophobicContact CG1-CE2 4.28Å; V915-F917 HydrophobicContact CG1-CG 4.49Å; V915-F917 HydrophobicContact CG1-CZ 4.03Å; V915-F917 WeakPolarHBondContact O-CD2 3.49Å; V915-F917 PolarHBondContact O-N 2.91Å; F917-P946 HydrophobicContact CB-CG 4.09Å; F917-P946 HydrophobicContact CD1-CB 4.38Å; F917-P946 HydrophobicContact CD1-CG 4.18Å; F917-D949 HydrophobicContact CB-CB 4.09Å; F917-D949 VanDerWaalsContact CB-OD2 3.29Å; F917-D949 WeakPolarHBondContact CB-OD2 3.25Å; F917-D949 HydrophobicContact CD1-CB 3.73Å; F917-D949 VanDerWaalsContact CD1-CB 3.49Å; F917-D949 HydrophobicContact CD2-CB 4.21Å; F917-D949 HydrophobicContact CE1-CB 4.1Å; F917-D949 HydrophobicContact CG-CB 4.01Å; F917-D949 VanDerWaalsContact CG-CG 3.42Å; F917-D949 WeakPolarHBondContact CG-OD2 3.49Å; F917-D949 HydrophobicContact CZ-CB 4.44Å |
| 918 | A | 62.3 | Low | 58 | Low | 67.25 Ų | 67.25 | 108.8 Ų | 108.8 | 56% | 0.556 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 151.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | K916 P946 | K916-A918 PolarHBondContact O-N 3.14Å; A918-P946 HydrophobicContact CB-CG 4.14Å; A918-P946 WeakPolarHBondContact O-CD 3.3Å; A918-P946 WeakPolarHBondContact O-CG 3.03Å |
| 919 | A | 66.9 | Low | 59.4 | Low | 72 Ų | 72 | 102.4 Ų | 102.4 | 60% | 0.595 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 140.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | N921 | A919-N921 PolarHBondContact O-N 3.02Å; A919-N921 VanDerWaalsContact O-N 3.15Å |
| 920 | P | 70.3 | Confident | 61.1 | Low | 57 Ų | 57 | 96.5 Ų | 96.5 | 37% | 0.37 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -61 | 121.4 | -179.7 | 1 | 0.9 | 0 | 0 | 0 | 110.4 | L944 E945 M952 | P920-L944 HydrophobicContact CB-CD2 4.26Å; P920-E945 CarbonylContact C-O 3.46Å; P920-E945 VanDerWaalsContact CA-O 3.24Å; P920-E945 WeakPolarHBondContact CA-O 3.28Å; P920-M952 HydrophobicContact CB-CE 3.69Å; P920-M952 HydrophobicContact CB-CG 4.42Å; P920-M952 HydrophobicContact CB-SD 4.1Å; P920-M952 HydrophobicContact CG-CE 4.2Å; P920-M952 HydrophobicContact CG-CG 4Å |
| 921 | N | 73.6 | Confident | 62.4 | Low | 100.5 Ų | 100.5 | 98.2 Ų | 98.2 | 54% | 0.537 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.4 | 133.3 | -179.2 | -175.9 | 29.1 | 0 | 0 | 0 | 109.9 | A919 T923 L944 E945 | A919-N921 PolarHBondContact O-N 3.02Å; A919-N921 VanDerWaalsContact O-N 3.15Å; N921-T923 PolarHBondContact O-N 2.85Å; N921-L944 CarbonylContact O-C 3.51Å; N921-L944 VanDerWaalsContact O-CA 3.26Å; N921-L944 WeakPolarHBondContact O-CA 3.26Å; N921-E945 PolarHBondContact N-O 3Å; N921-E945 PolarHBondContact O-N 2.87Å |
| 922 | F | 77.7 | Confident | 63.5 | Low | 82.5 Ų | 82.5 | 96 Ų | 96 | 36% | 0.362 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 102.9 | 172.6 | -73.5 | -80.4 | 0 | 0 | 0 | 109.9 | Q924 V925 C942 R943 L944 Q1763 | F922-Q924 VanDerWaalsContact C-N 3.34Å; F922-Q924 PolarHBondContact O-N 2.81Å; F922-V925 HydrophobicContact CB-CG1 3.75Å; F922-V925 HydrophobicContact CG-CG1 4.4Å; F922-C942 HydrophobicContact CD1-CB 3.99Å; F922-C942 VanDerWaalsContact CD1-SG 3.57Å; F922-C942 HydrophobicContact CE1-CB 4.03Å; F922-C942 WeakPolarHBondContact CE1-SG 3.34Å; F922-R943 CarbonylContact C-O 3.54Å; F922-R943 VanDerWaalsContact CA-O 3.26Å; F922-R943 WeakPolarHBondContact CA-O 3.31Å; F922-L944 HydrophobicContact CD1-CD1 4.07Å; F922-L944 HydrophobicContact CD1-CD2 4.06Å; F922-L944 HydrophobicContact CD1-CG 3.85Å; F922-L944 HydrophobicContact CD2-CD2 4.46Å; F922-L944 HydrophobicContact CE1-CD1 3.99Å; F922-L944 HydrophobicContact CE1-CD2 3.67Å; F922-L944 HydrophobicContact CE1-CG 3.81Å; F922-L944 HydrophobicContact CE2-CD2 4.34Å; F922-L944 HydrophobicContact CG-CD2 4.42Å; F922-L944 HydrophobicContact CG-CG 4.26Å; F922-L944 HydrophobicContact CZ-CD1 4.49Å; F922-L944 HydrophobicContact CZ-CD2 3.89Å; F922-L944 HydrophobicContact CZ-CG 4.34Å; F922-Q1763 HydrophobicContact CE1-CG 4.05Å; F922-Q1763 HydrophobicContact CZ-CG 4.42Å |
| 923 | T | 76.6 | Confident | 64.8 | Low | 66 Ų | 66 | 93.6 Ų | 93.6 | 41% | 0.405 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | -21.8 | 169.8 | 53.2 | 0 | 0 | 0 | 0 | 112.2 | N921 R943 E945 | N921-T923 PolarHBondContact O-N 2.85Å; T923-R943 PolarHBondContact N-O 2.96Å; T923-R943 VanDerWaalsContact OG1-CB 3.27Å; T923-R943 WeakPolarHBondContact OG1-CB 3.34Å; T923-R943 PolarHBondContact OG1-O 3.17Å; T923-E945 HydrophobicContact CG2-CB 4.07Å; T923-E945 VanDerWaalsContact CG2-CD 3.45Å; T923-E945 HydrophobicContact CG2-CG 3.69Å; T923-E945 WeakPolarHBondContact CG2-OE2 3.48Å; T923-E945 PolarHBondContact OG1-OE1 2.98Å |
| 924 | Q | 72.5 | Confident | 65.6 | Low | 47.25 Ų | 47.25 | 95.7 Ų | 95.7 | 22% | 0.221 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 118.1 | 164.7 | -174.3 | 177.2 | -3.6 | 0 | 0 | 108.8 | F922 C942 R943 | F922-Q924 VanDerWaalsContact C-N 3.34Å; F922-Q924 PolarHBondContact O-N 2.81Å; Q924-C942 CarbonylContact O-C 3.53Å; Q924-C942 WeakPolarHBondContact O-CA 3.32Å; Q924-C942 VanDerWaalsContact O-CB 3.27Å; Q924-C942 WeakPolarHBondContact O-CB 3.28Å; Q924-R943 HydrophobicContact CB-CB 3.71Å; Q924-R943 HydrophobicContact CB-CG 3.94Å; Q924-R943 PolarHBondContact N-O 3.33Å; Q924-R943 VanDerWaalsContact N-O 3.16Å; Q924-R943 PolarHBondContact O-N 2.82Å; Q924-R943 VanDerWaalsContact OE1-CD 3.29Å |
| 925 | V | 80.3 | Confident | 66.3 | Low | 83.75 Ų | 83.75 | 91 Ų | 91 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | trans | -84.3 | 160.2 | 174.2 | -65.3 | 0 | 0 | 0 | 0 | 111 | F922 Q927 | F922-V925 HydrophobicContact CB-CG1 3.75Å; F922-V925 HydrophobicContact CG-CG1 4.4Å; V925-Q927 PolarHBondContact O-N 3.03Å | ||
| 926 | L | 76.8 | Confident | 66.8 | Low | 61.25 Ų | 61.25 | 88.4 Ų | 88.4 | 32% | 0.321 | 50% | 0.501 | S | S | . | . | trans | -64.6 | 140.4 | 173.2 | -67 | 174 | 0 | 0 | 0 | 111.1 | L940 Q941 C942 W956 Q1763 A1764 S1765 | L926-L940 HydrophobicContact CD2-CB 4.08Å; L926-L940 HydrophobicContact CD2-CD2 4.48Å; L926-Q941 WeakPolarHBondContact CD2-O 3.48Å; L926-Q941 WeakPolarHBondContact CG-O 3.44Å; L926-C942 HydrophobicContact CD1-CB 4.4Å; L926-C942 HydrophobicContact CD2-CB 3.84Å; L926-C942 HydrophobicContact CG-CB 4.24Å; L926-W956 HydrophobicContact CD1-CE3 4.09Å; L926-W956 HydrophobicContact CD1-CH2 3.99Å; L926-W956 HydrophobicContact CD1-CZ3 3.91Å; L926-W956 HydrophobicContact CD2-CE3 4.35Å; L926-W956 HydrophobicContact CD2-CH2 3.62Å; L926-W956 HydrophobicContact CD2-CZ2 4.31Å; L926-W956 HydrophobicContact CD2-CZ3 3.44Å; L926-W956 VanDerWaalsContact CD2-CZ3 3.41Å; L926-W956 HydrophobicContact CG-CH2 4.41Å; L926-W956 HydrophobicContact CG-CZ3 4.24Å; L926-Q1763 VanDerWaalsContact CD1-C 3.48Å; L926-Q1763 HydrophobicContact CD1-CB 3.62Å; L926-Q1763 HydrophobicContact CD1-CG 3.74Å; L926-Q1763 VanDerWaalsContact CD1-OE1 3.25Å; L926-A1764 WeakPolarHBondContact CB-O 3.31Å; L926-A1764 VanDerWaalsContact CD1-C 3.46Å; L926-S1765 VanDerWaalsContact C-CB 3.46Å; L926-S1765 CarbonylContact C-O 3.59Å; L926-S1765 CarbonylContact O-C 3.54Å; L926-S1765 WeakPolarHBondContact O-CB 3.31Å | ||
| 927 | Q | 73.3 | Confident | 67 | Low | 106.75 Ų | 106.75 | 84.4 Ų | 84.4 | 50% | 0.499 | 50% | 0.495 | S | S | . | . | trans | -103.1 | 143.3 | 178 | -61.9 | -174.8 | -9.2 | 0 | 0 | 110.7 | V925 V929 E1184 G1185 F1188 S1765 | V925-Q927 PolarHBondContact O-N 3.03Å; Q927-V929 PolarHBondContact O-N 3.21Å; Q927-E1184 HydrophobicContact CB-CB 4.17Å; Q927-E1184 HydrophobicContact CG-CB 3.97Å; Q927-G1185 VanDerWaalsContact OE1-N 3.1Å; Q927-G1185 PolarHBondContact OE1-O 2.81Å; Q927-G1185 VanDerWaalsContact OE1-O 3.13Å; Q927-F1188 PolarHBondContact OE1-O 3.27Å; Q927-S1765 CarbonylContact C-O 3.54Å; Q927-S1765 WeakPolarHBondContact CA-O 3.28Å; Q927-S1765 PolarHBondContact N-O 2.81Å | ||
| 928 | N | 74.1 | Confident | 67.2 | Low | 121 Ų | 121 | 82.5 Ų | 82.5 | 65% | 0.647 | 49% | 0.491 | S | S | * | . | trans | -64.6 | 139.4 | 175.1 | -50.3 | -26.7 | 0 | 0 | 0 | 110 | D930 G1185 S1765 I1766 L1767 | N928-D930 PolarHBondContact ND2-OD2 2.99Å; N928-G1185 VanDerWaalsContact O-CA 3.29Å; N928-G1185 WeakPolarHBondContact O-CA 3.46Å; N928-S1765 PolarHBondContact N-O 3.3Å; N928-I1766 WeakPolarHBondContact OD1-CB 3.37Å; N928-I1766 WeakPolarHBondContact OD1-CG2 3.39Å; N928-L1767 VanDerWaalsContact CB-N 3.28Å; N928-L1767 VanDerWaalsContact ND2-C 3.32Å; N928-L1767 PolarHBondContact ND2-O 3.21Å; N928-L1767 PolarHBondContact OD1-N 2.86Å | ||
| 929 | V | 70.5 | Confident | 67.5 | Low | 55.25 Ų | 55.25 | 86.6 Ų | 86.6 | 34% | 0.335 | 49% | 0.492 | S | S | . | . | trans | -116 | 98.8 | 170.7 | -168.2 | 0 | 0 | 0 | 0 | 108.3 | Q927 L932 V938 L940 | Q927-V929 PolarHBondContact O-N 3.21Å; V929-L932 HydrophobicContact CB-CD1 4.06Å; V929-L932 HydrophobicContact CB-CD2 4.26Å; V929-L932 HydrophobicContact CB-CG 4.41Å; V929-L932 HydrophobicContact CG1-CD1 3.84Å; V929-L932 VanDerWaalsContact CG1-CD1 3.47Å; V929-L932 HydrophobicContact CG1-CD2 4.07Å; V929-L932 VanDerWaalsContact CG1-CD2 3.47Å; V929-L932 HydrophobicContact CG1-CG 3.9Å; V929-V938 HydrophobicContact CB-CG1 3.97Å; V929-V938 HydrophobicContact CB-CG2 3.96Å; V929-V938 HydrophobicContact CG1-CG1 4.07Å; V929-V938 HydrophobicContact CG1-CG2 3.84Å; V929-V938 HydrophobicContact CG2-CG1 3.88Å; V929-V938 HydrophobicContact CG2-CG2 3.73Å; V929-L940 HydrophobicContact CG2-CD2 4.07Å | ||
| 930 | D | 73.5 | Confident | 67.5 | Low | 96.25 Ų | 96.25 | 86 Ų | 86 | 52% | 0.515 | 48% | 0.479 | S | S | . | . | trans | -87.5 | 155.5 | 176.5 | -60.9 | -41.5 | 0 | 0 | 0 | 110.8 | N928 L932 S1768 | N928-D930 PolarHBondContact ND2-OD2 2.99Å; D930-L932 VanDerWaalsContact C-N 3.3Å; D930-L932 PolarHBondContact O-N 2.9Å; D930-S1768 WeakPolarHBondContact OD2-CB 3.28Å; D930-S1768 PolarHBondContact OD2-N 3.26Å; D930-S1768 PolarHBondContact OD2-OG 3Å | ||
| 931 | N | 66.5 | Low | 67.2 | Low | 149.25 Ų | 149.25 | 86.9 Ų | 86.9 | 80% | 0.798 | 48% | 0.478 | S | S | * | . | trans | 64.3 | 35.7 | 174.7 | -52.2 | -46.3 | 0 | 0 | 0 | 116.2 | M434 A933 | M434-N931 WeakPolarHBondContact CE-O 2.68Å; M434-N931 HydrophobicContact SD-CB 4.17Å; N931-A933 PolarHBondContact O-N 2.96Å; N931-A933 VanDerWaalsContact O-N 3.16Å | ||
| 932 | L | 60.5 | Low | 67.1 | Low | 70.25 Ų | 70.25 | 83.5 Ų | 83.5 | 37% | 0.368 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 124.7 | 171.8 | -85.5 | 144.9 | 0 | 0 | 0 | 112 | V929 D930 T936 V938 | V929-L932 HydrophobicContact CB-CD1 4.06Å; V929-L932 HydrophobicContact CB-CD2 4.26Å; V929-L932 HydrophobicContact CB-CG 4.41Å; V929-L932 HydrophobicContact CG1-CD1 3.84Å; V929-L932 VanDerWaalsContact CG1-CD1 3.47Å; V929-L932 HydrophobicContact CG1-CD2 4.07Å; V929-L932 VanDerWaalsContact CG1-CD2 3.47Å; V929-L932 HydrophobicContact CG1-CG 3.9Å; D930-L932 VanDerWaalsContact C-N 3.3Å; D930-L932 PolarHBondContact O-N 2.9Å; L932-T936 WeakPolarHBondContact CD2-OG1 3.27Å; L932-V938 HydrophobicContact CD1-CB 4.05Å; L932-V938 HydrophobicContact CD1-CG2 3.77Å; L932-V938 VanDerWaalsContact CD1-CG2 3.43Å; L932-V938 HydrophobicContact CD2-CB 3.92Å; L932-V938 HydrophobicContact CD2-CG1 4.49Å; L932-V938 HydrophobicContact CD2-CG2 3.59Å; L932-V938 HydrophobicContact CG-CG2 4.26Å |
| 933 | A | 61.8 | Low | 66.8 | Low | 55.25 Ų | 55.25 | 85.4 Ų | 85.4 | 46% | 0.457 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 140.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | N931 G935 T936 | N931-A933 PolarHBondContact O-N 2.96Å; N931-A933 VanDerWaalsContact O-N 3.16Å; A933-G935 PolarHBondContact O-N 3.07Å; A933-G935 VanDerWaalsContact O-N 3.12Å; A933-T936 HydrophobicContact CB-CG2 3.95Å; A933-T936 PolarHBondContact N-OG1 3.01Å; A933-T936 WeakPolarHBondContact O-CB 3.25Å; A933-T936 WeakPolarHBondContact O-CG2 3.23Å; A933-T936 PolarHBondContact O-N 3.04Å; A933-T936 VanDerWaalsContact O-N 3.11Å; A933-T936 PolarHBondContact O-OG1 3.05Å |
| 934 | E | 57.1 | Low | 66.6 | Low | 159.5 Ų | 159.5 | 83.2 Ų | 83.2 | 75% | 0.745 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 124.4 | 178.2 | -170 | 171.4 | -171.8 | 0 | 0 | 111.1 | Q981 | E934-Q981 VanDerWaalsContact CD-CD 3.43Å; E934-Q981 VanDerWaalsContact CD-NE2 3.26Å; E934-Q981 WeakPolarHBondContact OE1-CB 3.28Å; E934-Q981 WeakPolarHBondContact OE1-CG 3.17Å; E934-Q981 PolarHBondContact OE1-NE2 3.13Å; E934-Q981 PolarHBondContact OE1-OE1 3.28Å; E934-Q981 PolarHBondContact OE2-NE2 3.39Å |
| 935 | G | 54.7 | Low | 66.3 | Low | 66 Ų | 66 | 85.8 Ų | 85.8 | 68% | 0.68 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.6 | -3.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | A933 M979 | A933-G935 PolarHBondContact O-N 3.07Å; A933-G935 VanDerWaalsContact O-N 3.12Å; G935-M979 VanDerWaalsContact CA-SD 3.58Å |
| 936 | T | 52.4 | Low | 65.6 | Low | 62.25 Ų | 62.25 | 83.8 Ų | 83.8 | 38% | 0.382 | 45% | 0.453 | S | S | . | . | trans | -82.6 | 140.2 | 174.8 | 57.8 | 0 | 0 | 0 | 0 | 112.6 | L932 A933 F1591 | L932-T936 WeakPolarHBondContact CD2-OG1 3.27Å; A933-T936 HydrophobicContact CB-CG2 3.95Å; A933-T936 PolarHBondContact N-OG1 3.01Å; A933-T936 WeakPolarHBondContact O-CB 3.25Å; A933-T936 WeakPolarHBondContact O-CG2 3.23Å; A933-T936 PolarHBondContact O-N 3.04Å; A933-T936 VanDerWaalsContact O-N 3.11Å; A933-T936 PolarHBondContact O-OG1 3.05Å; T936-F1591 HydrophobicContact CG2-CB 3.63Å; T936-F1591 HydrophobicContact CG2-CD1 4.07Å; T936-F1591 HydrophobicContact CG2-CG 4.06Å | ||
| 937 | S | 50.8 | Low | 64.6 | Low | 97 Ų | 97 | 85.5 Ų | 85.5 | 68% | 0.678 | 46% | 0.462 | S | S | * | . | trans | -79.5 | 136.7 | 173.5 | -61.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 938 | V | 59.7 | Low | 63.6 | Low | 56 Ų | 56 | 87.8 Ų | 87.8 | 34% | 0.339 | 47% | 0.471 | S | S | . | . | trans | -110.4 | 135.2 | 177 | 137.1 | 0 | 0 | 0 | 0 | 110 | V929 L932 L940 F976 | V929-V938 HydrophobicContact CB-CG1 3.97Å; V929-V938 HydrophobicContact CB-CG2 3.96Å; V929-V938 HydrophobicContact CG1-CG1 4.07Å; V929-V938 HydrophobicContact CG1-CG2 3.84Å; V929-V938 HydrophobicContact CG2-CG1 3.88Å; V929-V938 HydrophobicContact CG2-CG2 3.73Å; L932-V938 HydrophobicContact CD1-CB 4.05Å; L932-V938 HydrophobicContact CD1-CG2 3.77Å; L932-V938 VanDerWaalsContact CD1-CG2 3.43Å; L932-V938 HydrophobicContact CD2-CB 3.92Å; L932-V938 HydrophobicContact CD2-CG1 4.49Å; L932-V938 HydrophobicContact CD2-CG2 3.59Å; L932-V938 HydrophobicContact CG-CG2 4.26Å; V938-L940 HydrophobicContact CG1-CD2 4.19Å; V938-L940 HydrophobicContact CG1-CG 4.17Å; V938-L940 HydrophobicContact CG2-CD2 4.32Å; V938-F976 HydrophobicContact CG1-CB 4.48Å; V938-F976 HydrophobicContact CG1-CD2 3.66Å; V938-F976 HydrophobicContact CG1-CE2 4.02Å; V938-F976 HydrophobicContact CG1-CG 4.16Å; V938-F976 WeakPolarHBondContact O-CD2 3.39Å | ||
| 939 | R | 67.1 | Low | 63.2 | Low | 153 Ų | 153 | 82.9 Ų | 82.9 | 58% | 0.577 | 45% | 0.445 | S | S | * | . | trans | -103.9 | 121.7 | 168.5 | -172.1 | 175.9 | -174.8 | 170 | 0.8 | 109.2 | Q941 T973 N1186 | R939-Q941 HydrophobicContact CG-CG 4.1Å; R939-T973 HydrophobicContact CG-CG2 3.74Å; R939-T973 VanDerWaalsContact CZ-OG1 3.29Å; R939-T973 PolarHBondContact NH2-OG1 3.18Å; R939-N1186 WeakPolarHBondContact O-CB 3.35Å; R939-N1186 PolarHBondContact O-ND2 2.81Å; R939-N1186 PolarHBondContact O-OD1 2.84Å | ||
| 940 | L | 67.6 | Low | 62.3 | Low | 61 Ų | 61 | 86 Ų | 86 | 32% | 0.319 | 47% | 0.466 | S | S | . | . | trans | -108.5 | 137.3 | 173.3 | -59.2 | 176.3 | 0 | 0 | 0 | 108.3 | L926 V929 V938 W956 F976 | L926-L940 HydrophobicContact CD2-CB 4.08Å; L926-L940 HydrophobicContact CD2-CD2 4.48Å; V929-L940 HydrophobicContact CG2-CD2 4.07Å; V938-L940 HydrophobicContact CG1-CD2 4.19Å; V938-L940 HydrophobicContact CG1-CG 4.17Å; V938-L940 HydrophobicContact CG2-CD2 4.32Å; L940-W956 VanDerWaalsContact C-CH2 3.41Å; L940-W956 HydrophobicContact CB-CE3 4.41Å; L940-W956 HydrophobicContact CB-CH2 3.84Å; L940-W956 HydrophobicContact CB-CZ3 3.45Å; L940-W956 HydrophobicContact CD1-CE3 4.34Å; L940-W956 HydrophobicContact CD1-CZ3 4.14Å; L940-W956 HydrophobicContact CG-CZ3 4.24Å; L940-W956 VanDerWaalsContact O-CH2 3.29Å; L940-W956 WeakPolarHBondContact O-CH2 3.28Å; L940-F976 HydrophobicContact CB-CE2 4.16Å; L940-F976 HydrophobicContact CD1-CE2 3.88Å; L940-F976 HydrophobicContact CD1-CZ 3.76Å; L940-F976 HydrophobicContact CG-CE2 3.86Å; L940-F976 HydrophobicContact CG-CZ 4.27Å | ||
| 941 | Q | 65.1 | Low | 61.8 | Low | 75.75 Ų | 75.75 | 85.5 Ų | 85.5 | 35% | 0.354 | 47% | 0.466 | S | S | . | . | trans | -138.4 | 140.6 | -178.9 | 0.6 | -175.3 | -8 | 0 | 0 | 111.7 | L926 R939 N1186 | L926-Q941 WeakPolarHBondContact CD2-O 3.48Å; L926-Q941 WeakPolarHBondContact CG-O 3.44Å; R939-Q941 HydrophobicContact CG-CG 4.1Å; Q941-N1186 WeakPolarHBondContact CG-OD1 3.44Å; Q941-N1186 PolarHBondContact NE2-O 2.9Å; Q941-N1186 PolarHBondContact NE2-OD1 2.79Å | ||
| 942 | C | 69.9 | Low | 61.9 | Low | 28 Ų | 28 | 80.6 Ų | 80.6 | 19% | 0.189 | 44% | 0.439 | C | S | . | . | trans | -140 | 161 | 169.3 | 71.5 | 0 | 0 | 0 | 0 | 109.6 | F922 Q924 L926 Q1763 | F922-C942 HydrophobicContact CD1-CB 3.99Å; F922-C942 VanDerWaalsContact CD1-SG 3.57Å; F922-C942 HydrophobicContact CE1-CB 4.03Å; F922-C942 WeakPolarHBondContact CE1-SG 3.34Å; Q924-C942 CarbonylContact O-C 3.53Å; Q924-C942 WeakPolarHBondContact O-CA 3.32Å; Q924-C942 VanDerWaalsContact O-CB 3.27Å; Q924-C942 WeakPolarHBondContact O-CB 3.28Å; L926-C942 HydrophobicContact CD1-CB 4.4Å; L926-C942 HydrophobicContact CD2-CB 3.84Å; L926-C942 HydrophobicContact CG-CB 4.24Å; C942-Q1763 HydrophobicContact CB-CG 4.46Å; C942-Q1763 PolarHBondContact SG-NE2 2.9Å; C942-Q1763 PolarHBondContact SG-OE1 2.84Å | ||
| 943 | R | 72.2 | Confident | 62.1 | Low | 123 Ų | 123 | 84.6 Ų | 84.6 | 46% | 0.464 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 140 | 173.7 | -87.5 | 179.6 | -179.1 | -176.6 | -0.8 | 109.2 | F922 T923 Q924 | F922-R943 CarbonylContact C-O 3.54Å; F922-R943 VanDerWaalsContact CA-O 3.26Å; F922-R943 WeakPolarHBondContact CA-O 3.31Å; T923-R943 PolarHBondContact N-O 2.96Å; T923-R943 VanDerWaalsContact OG1-CB 3.27Å; T923-R943 WeakPolarHBondContact OG1-CB 3.34Å; T923-R943 PolarHBondContact OG1-O 3.17Å; Q924-R943 HydrophobicContact CB-CB 3.71Å; Q924-R943 HydrophobicContact CB-CG 3.94Å; Q924-R943 PolarHBondContact N-O 3.33Å; Q924-R943 VanDerWaalsContact N-O 3.16Å; Q924-R943 PolarHBondContact O-N 2.82Å; Q924-R943 VanDerWaalsContact OE1-CD 3.29Å |
| 944 | L | 72.4 | Confident | 62.5 | Low | 20.25 Ų | 20.25 | 84.7 Ų | 84.7 | 11% | 0.106 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 147.7 | -179.8 | -56.1 | 98.7 | 0 | 0 | 0 | 111.3 | P920 N921 F922 L947 M952 I954 | P920-L944 HydrophobicContact CB-CD2 4.26Å; N921-L944 CarbonylContact O-C 3.51Å; N921-L944 VanDerWaalsContact O-CA 3.26Å; N921-L944 WeakPolarHBondContact O-CA 3.26Å; F922-L944 HydrophobicContact CD1-CD1 4.07Å; F922-L944 HydrophobicContact CD1-CD2 4.06Å; F922-L944 HydrophobicContact CD1-CG 3.85Å; F922-L944 HydrophobicContact CD2-CD2 4.46Å; F922-L944 HydrophobicContact CE1-CD1 3.99Å; F922-L944 HydrophobicContact CE1-CD2 3.67Å; F922-L944 HydrophobicContact CE1-CG 3.81Å; F922-L944 HydrophobicContact CE2-CD2 4.34Å; F922-L944 HydrophobicContact CG-CD2 4.42Å; F922-L944 HydrophobicContact CG-CG 4.26Å; F922-L944 HydrophobicContact CZ-CD1 4.49Å; F922-L944 HydrophobicContact CZ-CD2 3.89Å; F922-L944 HydrophobicContact CZ-CG 4.34Å; L944-L947 WeakPolarHBondContact O-CD2 3.19Å; L944-L947 WeakPolarHBondContact O-CG 3.21Å; L944-M952 HydrophobicContact CB-CE 3.77Å; L944-M952 HydrophobicContact CB-SD 4.26Å; L944-M952 HydrophobicContact CD1-CE 4.16Å; L944-M952 HydrophobicContact CD2-CE 3.72Å; L944-M952 HydrophobicContact CD2-SD 4.16Å; L944-M952 HydrophobicContact CG-CE 3.98Å; L944-I954 HydrophobicContact CD1-CD1 3.88Å; L944-I954 HydrophobicContact CD1-CG1 4.19Å; L944-I954 HydrophobicContact CD1-CG2 3.71Å; L944-I954 HydrophobicContact CD2-CG1 4.36Å; L944-I954 HydrophobicContact CD2-CG2 4.37Å |
| 945 | E | 65.5 | Low | 62.9 | Low | 100.25 Ų | 100.25 | 79.3 Ų | 79.3 | 47% | 0.468 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 148.7 | 168.7 | -76.6 | 177.8 | -172.2 | 0 | 0 | 110 | P920 N921 T923 | P920-E945 CarbonylContact C-O 3.46Å; P920-E945 VanDerWaalsContact CA-O 3.24Å; P920-E945 WeakPolarHBondContact CA-O 3.28Å; N921-E945 PolarHBondContact N-O 3Å; N921-E945 PolarHBondContact O-N 2.87Å; T923-E945 HydrophobicContact CG2-CB 4.07Å; T923-E945 VanDerWaalsContact CG2-CD 3.45Å; T923-E945 HydrophobicContact CG2-CG 3.69Å; T923-E945 WeakPolarHBondContact CG2-OE2 3.48Å; T923-E945 PolarHBondContact OG1-OE1 2.98Å |
| 946 | P | 66.2 | Low | 63.5 | Low | 42 Ų | 42 | 77.7 Ų | 77.7 | 27% | 0.273 | 40% | 0.402 | S | S | . | . | S | Bend | cis | -74.9 | 140.2 | -2 | 30.6 | -34.1 | 0 | 0 | 0 | 112.6 | F917 A918 F948 D949 M952 | F917-P946 HydrophobicContact CB-CG 4.09Å; F917-P946 HydrophobicContact CD1-CB 4.38Å; F917-P946 HydrophobicContact CD1-CG 4.18Å; A918-P946 HydrophobicContact CB-CG 4.14Å; A918-P946 WeakPolarHBondContact O-CD 3.3Å; A918-P946 WeakPolarHBondContact O-CG 3.03Å; P946-F948 PolarHBondContact O-N 3.09Å; P946-D949 HydrophobicContact CG-CB 4.33Å; P946-M952 VanDerWaalsContact CD-CE 3.49Å; P946-M952 HydrophobicContact CG-CE 3.98Å; P946-M952 WeakPolarHBondContact O-CE 3.15Å |
| 947 | L | 55.9 | Low | 64.4 | Low | 96.5 Ų | 96.5 | 80.3 Ų | 80.3 | 51% | 0.505 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 67.4 | 174.4 | -67.9 | 166.3 | 0 | 0 | 0 | 111.8 | L944 D949 L970 | L944-L947 WeakPolarHBondContact O-CD2 3.19Å; L944-L947 WeakPolarHBondContact O-CG 3.21Å; L947-D949 PolarHBondContact O-N 2.7Å; L947-L970 HydrophobicContact CD2-CD2 3.78Å; L947-L970 HydrophobicContact CD2-CG 4.44Å |
| 948 | F | 52.7 | Low | 65.3 | Low | 156.75 Ų | 156.75 | 81.4 Ų | 81.4 | 69% | 0.688 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 154.5 | 31.1 | -176.7 | -49.8 | -73.6 | 0 | 0 | 0 | 114.8 | P946 P950 | P946-F948 PolarHBondContact O-N 3.09Å; F948-P950 VanDerWaalsContact O-CD 3.25Å; F948-P950 WeakPolarHBondContact O-CD 3.22Å |
| 949 | D | 65.3 | Low | 65.8 | Low | 18 Ų | 18 | 85.6 Ų | 85.6 | 10% | 0.096 | 42% | 0.421 | C | S | . | . | trans | -86.4 | 107.5 | 165 | -177 | -13.5 | 0 | 0 | 0 | 109.8 | F917 P946 L947 T951 M952 | F917-D949 HydrophobicContact CB-CB 4.09Å; F917-D949 VanDerWaalsContact CB-OD2 3.29Å; F917-D949 WeakPolarHBondContact CB-OD2 3.25Å; F917-D949 HydrophobicContact CD1-CB 3.73Å; F917-D949 VanDerWaalsContact CD1-CB 3.49Å; F917-D949 HydrophobicContact CD2-CB 4.21Å; F917-D949 HydrophobicContact CE1-CB 4.1Å; F917-D949 HydrophobicContact CG-CB 4.01Å; F917-D949 VanDerWaalsContact CG-CG 3.42Å; F917-D949 WeakPolarHBondContact CG-OD2 3.49Å; F917-D949 HydrophobicContact CZ-CB 4.44Å; P946-D949 HydrophobicContact CG-CB 4.33Å; L947-D949 PolarHBondContact O-N 2.7Å; D949-T951 VanDerWaalsContact CG-OG1 3.28Å; D949-T951 PolarHBondContact O-N 2.97Å; D949-T951 VanDerWaalsContact O-N 3.09Å; D949-T951 WeakPolarHBondContact OD1-CA 3.38Å; D949-T951 VanDerWaalsContact OD1-CB 3.28Å; D949-T951 WeakPolarHBondContact OD1-CB 3.39Å; D949-T951 PolarHBondContact OD1-N 3.06Å; D949-T951 PolarHBondContact OD1-OG1 3.05Å; D949-T951 PolarHBondContact OD2-OG1 3.22Å; D949-M952 HydrophobicContact CB-CB 4.13Å; D949-M952 HydrophobicContact CB-CE 4.45Å; D949-M952 VanDerWaalsContact O-CB 3.25Å; D949-M952 WeakPolarHBondContact O-CB 3.28Å; D949-M952 PolarHBondContact O-N 2.95Å; D949-M952 VanDerWaalsContact O-N 3.1Å; D949-M952 PolarHBondContact OD1-N 3.3Å | ||
| 950 | P | 51.3 | Low | 65.8 | Low | 119.75 Ų | 119.75 | 81 Ų | 81 | 78% | 0.778 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -5.7 | -179.2 | 30.1 | -35.5 | 0 | 0 | 0 | 113.4 | F948 | F948-P950 VanDerWaalsContact O-CD 3.25Å; F948-P950 WeakPolarHBondContact O-CD 3.22Å |
| 951 | T | 63.8 | Low | 65.2 | Low | 85.75 Ų | 85.75 | 84.3 Ų | 84.3 | 53% | 0.526 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -8.2 | 173.7 | 75.9 | 0 | 0 | 0 | 0 | 113.3 | D949 K953 | D949-T951 VanDerWaalsContact CG-OG1 3.28Å; D949-T951 PolarHBondContact O-N 2.97Å; D949-T951 VanDerWaalsContact O-N 3.09Å; D949-T951 WeakPolarHBondContact OD1-CA 3.38Å; D949-T951 VanDerWaalsContact OD1-CB 3.28Å; D949-T951 WeakPolarHBondContact OD1-CB 3.39Å; D949-T951 PolarHBondContact OD1-N 3.06Å; D949-T951 PolarHBondContact OD1-OG1 3.05Å; D949-T951 PolarHBondContact OD2-OG1 3.22Å; T951-K953 PolarHBondContact O-N 3.04Å |
| 952 | M | 67.9 | Low | 65.2 | Low | 47 Ų | 47 | 83.6 Ų | 83.6 | 23% | 0.232 | 44% | 0.437 | C | S | . | . | trans | -71.8 | 128.5 | -177.4 | -169.2 | 173.7 | -80.3 | 0 | 0 | 112 | P920 L944 P946 D949 I954 | P920-M952 HydrophobicContact CB-CE 3.69Å; P920-M952 HydrophobicContact CB-CG 4.42Å; P920-M952 HydrophobicContact CB-SD 4.1Å; P920-M952 HydrophobicContact CG-CE 4.2Å; P920-M952 HydrophobicContact CG-CG 4Å; L944-M952 HydrophobicContact CB-CE 3.77Å; L944-M952 HydrophobicContact CB-SD 4.26Å; L944-M952 HydrophobicContact CD1-CE 4.16Å; L944-M952 HydrophobicContact CD2-CE 3.72Å; L944-M952 HydrophobicContact CD2-SD 4.16Å; L944-M952 HydrophobicContact CG-CE 3.98Å; P946-M952 VanDerWaalsContact CD-CE 3.49Å; P946-M952 HydrophobicContact CG-CE 3.98Å; P946-M952 WeakPolarHBondContact O-CE 3.15Å; D949-M952 HydrophobicContact CB-CB 4.13Å; D949-M952 HydrophobicContact CB-CE 4.45Å; D949-M952 VanDerWaalsContact O-CB 3.25Å; D949-M952 WeakPolarHBondContact O-CB 3.28Å; D949-M952 PolarHBondContact O-N 2.95Å; D949-M952 VanDerWaalsContact O-N 3.1Å; D949-M952 PolarHBondContact OD1-N 3.3Å; M952-I954 HydrophobicContact CE-CD1 3.85Å; M952-I954 HydrophobicContact CE-CG1 3.95Å; M952-I954 HydrophobicContact CG-CD1 4.08Å; M952-I954 HydrophobicContact CG-CG1 4.27Å; M952-I954 HydrophobicContact SD-CD1 4.17Å; M952-I954 HydrophobicContact SD-CG1 4.32Å | ||
| 953 | K | 65.4 | Low | 64.7 | Low | 153.25 Ų | 153.25 | 84.7 Ų | 84.7 | 67% | 0.666 | 44% | 0.441 | S | S | * | . | trans | -119.8 | 127.1 | 178.9 | -67.4 | -176.9 | 169.2 | -175.5 | 0 | 109.7 | T951 P1038 D1676 E1678 N1679 Q1761 | T951-K953 PolarHBondContact O-N 3.04Å; K953-P1038 PolarHBondContact NZ-O 2.84Å; K953-D1676 PolarHBondContact NZ-O 3.44Å; K953-E1678 WeakPolarHBondContact CB-O 3.28Å; K953-E1678 HydrophobicContact CD-CB 4.13Å; K953-E1678 WeakPolarHBondContact CD-O 3.48Å; K953-E1678 WeakPolarHBondContact CE-O 3.29Å; K953-E1678 WeakPolarHBondContact CG-O 3.48Å; K953-E1678 IonicContact NZ-OE2 3.58Å; K953-N1679 CarbonylContact C-O 3.58Å; K953-N1679 WeakPolarHBondContact CA-O 3.47Å; K953-N1679 HydrophobicContact CB-CB 3.59Å; K953-N1679 WeakPolarHBondContact CB-ND2 3.17Å; K953-N1679 WeakPolarHBondContact CB-O 3.38Å; K953-Q1761 PolarHBondContact O-NE2 3.08Å | ||
| 954 | I | 70 | Confident | 63.9 | Low | 58.5 Ų | 58.5 | 83.6 Ų | 83.6 | 30% | 0.3 | 45% | 0.45 | S | S | . | . | trans | -114.7 | 140.8 | 179.8 | -55.5 | 162.5 | 0 | 0 | 0 | 109.9 | L944 M952 Q965 L970 N1679 A1680 E1681 Q1761 | L944-I954 HydrophobicContact CD1-CD1 3.88Å; L944-I954 HydrophobicContact CD1-CG1 4.19Å; L944-I954 HydrophobicContact CD1-CG2 3.71Å; L944-I954 HydrophobicContact CD2-CG1 4.36Å; L944-I954 HydrophobicContact CD2-CG2 4.37Å; M952-I954 HydrophobicContact CE-CD1 3.85Å; M952-I954 HydrophobicContact CE-CG1 3.95Å; M952-I954 HydrophobicContact CG-CD1 4.08Å; M952-I954 HydrophobicContact CG-CG1 4.27Å; M952-I954 HydrophobicContact SD-CD1 4.17Å; M952-I954 HydrophobicContact SD-CG1 4.32Å; I954-Q965 PolarHBondContact O-NE2 2.94Å; I954-L970 HydrophobicContact CD1-CD1 4.13Å; I954-N1679 VanDerWaalsContact N-C 3.29Å; I954-N1679 PolarHBondContact N-O 2.84Å; I954-N1679 CarbonylContact O-C 3.46Å; I954-N1679 WeakPolarHBondContact O-CA 3.42Å; I954-A1680 CarbonylContact O-C 3.53Å; I954-A1680 WeakPolarHBondContact O-CA 3.43Å; I954-A1680 PolarHBondContact O-N 3.01Å; I954-E1681 HydrophobicContact CB-CB 4.46Å; I954-E1681 HydrophobicContact CB-CG 3.36Å; I954-E1681 HydrophobicContact CD1-CG 3.6Å; I954-E1681 HydrophobicContact CG1-CG 4.1Å; I954-E1681 HydrophobicContact CG2-CG 3.52Å; I954-E1681 VanDerWaalsContact CG2-OE1 3.31Å; I954-E1681 WeakPolarHBondContact CG2-OE1 3.19Å; I954-E1681 PolarHBondContact O-N 2.83Å; I954-Q1761 WeakPolarHBondContact O-CB 3.44Å; I954-Q1761 PolarHBondContact O-N 2.82Å | ||
| 955 | A | 65.9 | Low | 62.8 | Low | 44.25 Ų | 44.25 | 88.2 Ų | 88.2 | 37% | 0.366 | 47% | 0.47 | S | S | . | . | trans | -146.2 | 149.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F957 A1680 E1682 I1760 Q1761 K1762 Q1763 | A955-F957 HydrophobicContact CB-CD2 4.45Å; A955-F957 HydrophobicContact CB-CE2 3.62Å; A955-F957 HydrophobicContact CB-CZ 4.02Å; A955-F957 WeakPolarHBondContact O-CD2 3.2Å; A955-A1680 WeakPolarHBondContact CB-O 3.19Å; A955-E1682 HydrophobicContact CB-CB 4.01Å; A955-I1760 HydrophobicContact CB-CB 4.1Å; A955-I1760 HydrophobicContact CB-CG2 3.15Å; A955-Q1761 CarbonylContact C-O 3.54Å; A955-Q1761 VanDerWaalsContact CA-O 3.3Å; A955-Q1761 WeakPolarHBondContact CA-O 3.46Å; A955-Q1761 VanDerWaalsContact CB-C 3.49Å; A955-Q1761 HydrophobicContact CB-CB 4.06Å; A955-Q1761 WeakPolarHBondContact CB-O 3.41Å; A955-Q1761 CarbonylContact O-C 3.53Å; A955-K1762 CarbonylContact O-C 3.56Å; A955-K1762 WeakPolarHBondContact O-CA 3.49Å; A955-K1762 PolarHBondContact O-N 2.93Å; A955-K1762 VanDerWaalsContact O-N 3.1Å; A955-Q1763 WeakPolarHBondContact O-CA 3.13Å; A955-Q1763 WeakPolarHBondContact O-CB 3.3Å; A955-Q1763 PolarHBondContact O-N 3.39Å | ||
| 956 | W | 67.6 | Low | 61.5 | Low | 33.5 Ų | 33.5 | 85.2 Ų | 85.2 | 13% | 0.127 | 47% | 0.466 | C | S | . | . | trans | -102.1 | 127.5 | -175 | -71.4 | 83 | 0 | 0 | 0 | 114.2 | L926 L940 P962 L963 F968 I974 E1682 Q1761 K1762 Q1763 | L926-W956 HydrophobicContact CD1-CE3 4.09Å; L926-W956 HydrophobicContact CD1-CH2 3.99Å; L926-W956 HydrophobicContact CD1-CZ3 3.91Å; L926-W956 HydrophobicContact CD2-CE3 4.35Å; L926-W956 HydrophobicContact CD2-CH2 3.62Å; L926-W956 HydrophobicContact CD2-CZ2 4.31Å; L926-W956 HydrophobicContact CD2-CZ3 3.44Å; L926-W956 VanDerWaalsContact CD2-CZ3 3.41Å; L926-W956 HydrophobicContact CG-CH2 4.41Å; L926-W956 HydrophobicContact CG-CZ3 4.24Å; L940-W956 VanDerWaalsContact C-CH2 3.41Å; L940-W956 HydrophobicContact CB-CE3 4.41Å; L940-W956 HydrophobicContact CB-CH2 3.84Å; L940-W956 HydrophobicContact CB-CZ3 3.45Å; L940-W956 HydrophobicContact CD1-CE3 4.34Å; L940-W956 HydrophobicContact CD1-CZ3 4.14Å; L940-W956 HydrophobicContact CG-CZ3 4.24Å; L940-W956 VanDerWaalsContact O-CH2 3.29Å; L940-W956 WeakPolarHBondContact O-CH2 3.28Å; W956-P962 CarbonylContact O-C 3.52Å; W956-P962 WeakPolarHBondContact O-CA 3.47Å; W956-L963 HydrophobicContact CB-CB 4.25Å; W956-L963 HydrophobicContact CB-CD1 4.04Å; W956-L963 HydrophobicContact CB-CG 4.29Å; W956-L963 PolarHBondContact O-N 3.17Å; W956-F968 HydrophobicContact CB-CE1 3.91Å; W956-F968 HydrophobicContact CB-CE2 4.06Å; W956-F968 HydrophobicContact CB-CZ 3.54Å; W956-F968 AromaticContact CD1-CD1 3.46Å; W956-F968 AromaticContact CD1-CD2 3.29Å; W956-F968 AromaticContact CD1-CE1 3.5Å; W956-F968 AromaticContact CD1-CE2 3.28Å; W956-F968 AromaticContact CD1-CG 3.57Å; W956-F968 AromaticContact CD1-CZ 3.65Å; W956-F968 AromaticContact CD2-CD1 3.8Å; W956-F968 HydrophobicContact CD2-CD1 3.8Å; W956-F968 AromaticContact CD2-CE1 3.45Å; W956-F968 HydrophobicContact CD2-CE1 3.45Å; W956-F968 HydrophobicContact CD2-CE2 4.41Å; W956-F968 HydrophobicContact CD2-CG 4.42Å; W956-F968 AromaticContact CD2-CZ 3.65Å; W956-F968 HydrophobicContact CD2-CZ 4.05Å; W956-F968 AromaticContact CE2-CD1 3.46Å; W956-F968 AromaticContact CE2-CE1 3.27Å; W956-F968 AromaticContact CE2-CG 3.85Å; W956-F968 AromaticContact CE3-CE1 3.88Å; W956-F968 HydrophobicContact CE3-CE1 4.1Å; W956-F968 HydrophobicContact CE3-CZ 4.41Å; W956-F968 AromaticContact CG-CD1 3.79Å; W956-F968 HydrophobicContact CG-CD1 3.79Å; W956-F968 HydrophobicContact CG-CD2 4.03Å; W956-F968 AromaticContact CG-CE1 3.35Å; W956-F968 HydrophobicContact CG-CE1 3.35Å; W956-F968 VanDerWaalsContact CG-CE1 3.46Å; W956-F968 AromaticContact CG-CE2 3.55Å; W956-F968 HydrophobicContact CG-CE2 3.98Å; W956-F968 HydrophobicContact CG-CG 4.28Å; W956-F968 AromaticContact CG-CZ 3.46Å; W956-F968 HydrophobicContact CG-CZ 3.46Å; W956-F968 HydrophobicContact CH2-CE1 4.47Å; W956-F968 AromaticContact CZ2-CD1 3.66Å; W956-F968 HydrophobicContact CZ2-CD1 4.06Å; W956-F968 AromaticContact CZ2-CE1 3.93Å; W956-F968 HydrophobicContact CZ2-CE1 3.93Å; W956-F968 HydrophobicContact CZ2-CZ 4.48Å; W956-F968 HydrophobicContact CZ3-CE1 4.46Å; W956-F968 AromaticContact NE1-CD1 3.25Å; W956-F968 AromaticContact NE1-CD2 3.67Å; W956-F968 AromaticContact NE1-CE1 3.68Å; W956-F968 AromaticContact NE1-CE2 4Å; W956-F968 AromaticContact NE1-CG 3.52Å; W956-F968 AromaticContact NE1-CZ 3.86Å; W956-I974 HydrophobicContact CB-CD1 4.49Å; W956-I974 HydrophobicContact CD2-CD1 3.37Å; W956-I974 HydrophobicContact CE3-CD1 3.94Å; W956-I974 HydrophobicContact CG-CD1 3.61Å; W956-I974 HydrophobicContact CH2-CD1 4.28Å; W956-I974 HydrophobicContact CZ2-CD1 3.78Å; W956-I974 HydrophobicContact CZ3-CD1 4.34Å; W956-E1682 HydrophobicContact CB-CB 3.56Å; W956-E1682 HydrophobicContact CB-CG 3.41Å; W956-E1682 VanDerWaalsContact CB-CG 3.41Å; W956-E1682 VanDerWaalsContact CB-OE1 3.31Å; W956-E1682 WeakPolarHBondContact CB-OE1 3.42Å; W956-E1682 WeakPolarHBondContact CB-OE2 3.31Å; W956-E1682 VanDerWaalsContact CD1-CA 3.44Å; W956-E1682 HydrophobicContact CD2-CG 4.14Å; W956-E1682 HydrophobicContact CG-CB 3.47Å; W956-E1682 VanDerWaalsContact CG-CB 3.47Å; W956-E1682 VanDerWaalsContact CG-CD 3.5Å; W956-E1682 HydrophobicContact CG-CG 3.28Å; W956-E1682 PolarHBondContact NE1-O 3.35Å; W956-Q1761 PolarHBondContact N-O 3.49Å; W956-K1762 VanDerWaalsContact C-C 3.41Å; W956-K1762 VanDerWaalsContact CA-C 3.47Å; W956-K1762 VanDerWaalsContact O-CB 3.3Å; W956-K1762 WeakPolarHBondContact O-CB 3.45Å; W956-K1762 WeakPolarHBondContact O-CE 3.48Å; W956-K1762 WeakPolarHBondContact O-CG 3.43Å; W956-Q1763 CarbonylContact C-O 3.49Å; W956-Q1763 VanDerWaalsContact CA-CB 3.47Å; W956-Q1763 WeakPolarHBondContact CA-O 3.42Å; W956-Q1763 HydrophobicContact CB-CB 4.18Å; W956-Q1763 HydrophobicContact CD2-CB 3.64Å; W956-Q1763 HydrophobicContact CD2-CG 4.43Å; W956-Q1763 VanDerWaalsContact CE2-CD 3.48Å; W956-Q1763 VanDerWaalsContact CE2-OE1 3.27Å; W956-Q1763 HydrophobicContact CE3-CB 3.76Å; W956-Q1763 HydrophobicContact CG-CB 3.78Å; W956-Q1763 HydrophobicContact CZ3-CB 4.3Å | ||
| 957 | F | 70.9 | Confident | 60 | Low | 116.25 Ų | 116.25 | 89.3 Ų | 89.3 | 51% | 0.51 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 122.9 | -177.7 | -70.9 | -86 | 0 | 0 | 0 | 111.5 | A955 G960 Q961 P962 K1762 Q1763 | A955-F957 HydrophobicContact CB-CD2 4.45Å; A955-F957 HydrophobicContact CB-CE2 3.62Å; A955-F957 HydrophobicContact CB-CZ 4.02Å; A955-F957 WeakPolarHBondContact O-CD2 3.2Å; F957-G960 WeakPolarHBondContact CD1-O 3.43Å; F957-Q961 CarbonylContact C-O 3.5Å; F957-Q961 VanDerWaalsContact CA-O 3.26Å; F957-Q961 WeakPolarHBondContact CA-O 3.38Å; F957-P962 HydrophobicContact CD1-CB 4.28Å; F957-P962 HydrophobicContact CE1-CB 4.14Å; F957-K1762 VanDerWaalsContact CA-CB 3.42Å; F957-K1762 HydrophobicContact CB-CB 3.44Å; F957-K1762 VanDerWaalsContact CB-CB 3.44Å; F957-K1762 HydrophobicContact CD1-CB 3.28Å; F957-K1762 HydrophobicContact CD1-CD 3.41Å; F957-K1762 VanDerWaalsContact CD1-CD 3.41Å; F957-K1762 HydrophobicContact CD1-CG 3.88Å; F957-K1762 HydrophobicContact CD2-CB 3.09Å; F957-K1762 HydrophobicContact CD2-CG 4.42Å; F957-K1762 WeakPolarHBondContact CD2-O 3.33Å; F957-K1762 HydrophobicContact CE1-CB 3.57Å; F957-K1762 HydrophobicContact CE1-CD 3.5Å; F957-K1762 HydrophobicContact CE1-CG 3.97Å; F957-K1762 HydrophobicContact CE2-CB 3.38Å; F957-K1762 HydrophobicContact CE2-CG 4.49Å; F957-K1762 HydrophobicContact CG-CB 2.93Å; F957-K1762 HydrophobicContact CG-CD 4.04Å; F957-K1762 HydrophobicContact CG-CG 4.02Å; F957-K1762 HydrophobicContact CZ-CB 3.57Å; F957-K1762 HydrophobicContact CZ-CD 4.22Å; F957-K1762 HydrophobicContact CZ-CG 4.22Å; F957-K1762 VanDerWaalsContact N-CA 3.26Å; F957-K1762 VanDerWaalsContact N-CB 3.28Å; F957-Q1763 PolarHBondContact N-O 2.96Å |
| 958 | K | 69.1 | Low | 59.2 | Low | 119.75 Ų | 119.75 | 89.2 Ų | 89.2 | 52% | 0.521 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 118.4 | 164.6 | -176.2 | 179 | -179.8 | -178.8 | 0 | 108.6 | G960 Q961 L963 K1762 | K958-G960 VanDerWaalsContact C-N 3.28Å; K958-G960 CarbonylContact O-C 3.52Å; K958-G960 PolarHBondContact O-N 2.98Å; K958-G960 VanDerWaalsContact O-N 3.12Å; K958-Q961 PolarHBondContact N-O 2.86Å; K958-Q961 CarbonylContact O-C 3.37Å; K958-Q961 PolarHBondContact O-N 3.13Å; K958-Q961 VanDerWaalsContact O-N 3.13Å; K958-L963 HydrophobicContact CB-CD1 4.05Å; K958-L963 HydrophobicContact CB-CD2 3.92Å; K958-L963 HydrophobicContact CB-CG 4.05Å; K958-L963 HydrophobicContact CD-CD2 3.99Å; K958-L963 HydrophobicContact CG-CD2 4.48Å; K958-K1762 PolarHBondContact O-NZ 3.18Å; K958-K1762 VanDerWaalsContact O-NZ 3.08Å |
| 959 | N | 69.6 | Low | 58.3 | Low | 145.75 Ų | 145.75 | 86.5 Ų | 86.5 | 78% | 0.779 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 40.6 | 179.1 | -59.3 | -11 | 0 | 0 | 0 | 114.4 | Q961 | N959-Q961 VanDerWaalsContact C-N 3.32Å; N959-Q961 PolarHBondContact O-N 2.88Å; N959-Q961 VanDerWaalsContact O-N 3.14Å |
| 960 | G | 67.1 | Low | 56.8 | Low | 56.25 Ų | 56.25 | 91.6 Ų | 91.6 | 58% | 0.58 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | -13.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | F957 K958 P962 K1762 | F957-G960 WeakPolarHBondContact CD1-O 3.43Å; K958-G960 VanDerWaalsContact C-N 3.28Å; K958-G960 CarbonylContact O-C 3.52Å; K958-G960 PolarHBondContact O-N 2.98Å; K958-G960 VanDerWaalsContact O-N 3.12Å; G960-P962 WeakPolarHBondContact O-CD 3.43Å; G960-K1762 VanDerWaalsContact C-NZ 3.3Å; G960-K1762 PolarHBondContact O-NZ 3.18Å; G960-K1762 VanDerWaalsContact O-NZ 3.09Å |
| 961 | Q | 56.6 | Low | 55.8 | Low | 128.75 Ų | 128.75 | 93.7 Ų | 93.7 | 60% | 0.602 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 129.7 | 176.9 | -68.5 | -66.9 | -38.8 | 0 | 0 | 112 | F957 K958 N959 L963 K1762 | F957-Q961 CarbonylContact C-O 3.5Å; F957-Q961 VanDerWaalsContact CA-O 3.26Å; F957-Q961 WeakPolarHBondContact CA-O 3.38Å; K958-Q961 PolarHBondContact N-O 2.86Å; K958-Q961 CarbonylContact O-C 3.37Å; K958-Q961 PolarHBondContact O-N 3.13Å; K958-Q961 VanDerWaalsContact O-N 3.13Å; N959-Q961 VanDerWaalsContact C-N 3.32Å; N959-Q961 PolarHBondContact O-N 2.88Å; N959-Q961 VanDerWaalsContact O-N 3.14Å; Q961-L963 PolarHBondContact O-N 2.91Å; Q961-K1762 WeakPolarHBondContact O-CE 3.37Å; Q961-K1762 PolarHBondContact O-NZ 3.25Å |
| 962 | P | 64.4 | Low | 54.3 | Low | 63 Ų | 63 | 96.2 Ų | 96.2 | 41% | 0.409 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 140 | 175.4 | 22.6 | -30.9 | 0 | 0 | 0 | 112.9 | W956 F957 G960 Q988 A1735 K1762 | W956-P962 CarbonylContact O-C 3.52Å; W956-P962 WeakPolarHBondContact O-CA 3.47Å; F957-P962 HydrophobicContact CD1-CB 4.28Å; F957-P962 HydrophobicContact CE1-CB 4.14Å; G960-P962 WeakPolarHBondContact O-CD 3.43Å; P962-Q988 PolarHBondContact O-NE2 2.98Å; P962-A1735 HydrophobicContact CB-CB 3.61Å; P962-A1735 WeakPolarHBondContact CB-O 3.25Å; P962-K1762 HydrophobicContact CB-CD 4.48Å |
| 963 | L | 59.7 | Low | 52.3 | Low | 50.75 Ų | 50.75 | 99.7 Ų | 99.7 | 27% | 0.266 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 144.3 | 178 | -74.2 | 171.7 | 0 | 0 | 0 | 111.8 | W956 K958 Q961 Q965 F968 F976 W984 E1682 Y1734 A1735 D1736 | W956-L963 HydrophobicContact CB-CB 4.25Å; W956-L963 HydrophobicContact CB-CD1 4.04Å; W956-L963 HydrophobicContact CB-CG 4.29Å; W956-L963 PolarHBondContact O-N 3.17Å; K958-L963 HydrophobicContact CB-CD1 4.05Å; K958-L963 HydrophobicContact CB-CD2 3.92Å; K958-L963 HydrophobicContact CB-CG 4.05Å; K958-L963 HydrophobicContact CD-CD2 3.99Å; K958-L963 HydrophobicContact CG-CD2 4.48Å; Q961-L963 PolarHBondContact O-N 2.91Å; L963-Q965 PolarHBondContact O-N 3.04Å; L963-Q965 VanDerWaalsContact O-N 3.14Å; L963-F968 HydrophobicContact CB-CE2 4.42Å; L963-F968 HydrophobicContact CB-CZ 3.87Å; L963-F968 HydrophobicContact CD1-CE1 4.39Å; L963-F968 HydrophobicContact CD1-CZ 3.96Å; L963-F976 HydrophobicContact CD1-CE1 3.59Å; L963-F976 HydrophobicContact CD1-CZ 3.91Å; L963-W984 WeakPolarHBondContact O-CZ2 3.36Å; L963-E1682 WeakPolarHBondContact CD1-OE2 3.26Å; L963-Y1734 CarbonylContact O-C 3.59Å; L963-Y1734 WeakPolarHBondContact O-CB 3.33Å; L963-A1735 PolarHBondContact O-N 2.77Å; L963-D1736 WeakPolarHBondContact O-CA 3.36Å; L963-D1736 WeakPolarHBondContact O-CB 3.44Å; L963-D1736 PolarHBondContact O-N 3.43Å |
| 964 | P | 55 | Low | 50.7 | Low | 99.75 Ų | 99.75 | 97.9 Ų | 97.9 | 65% | 0.648 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 121.7 | 178.7 | -18.3 | 31.1 | 0 | 0 | 0 | 113.7 | G966 W984 Y1734 D1736 | P964-G966 PolarHBondContact O-N 3.15Å; P964-W984 HydrophobicContact CB-CD2 3.99Å; P964-W984 HydrophobicContact CB-CG 3.98Å; P964-W984 HydrophobicContact CB-CZ2 4.49Å; P964-W984 HydrophobicContact CG-CG 4.41Å; P964-Y1734 VanDerWaalsContact C-CD2 3.44Å; P964-Y1734 WeakPolarHBondContact O-CD2 3.25Å; P964-D1736 WeakPolarHBondContact CA-OD1 3.4Å |
| 965 | Q | 49.2 | Very low | 48.7 | Very low | 116 Ų | 116 | 101.1 Ų | 101.1 | 54% | 0.542 | 55% | 0.546 | S | S | . | . | trans | -65.6 | 106.2 | -174.6 | -69.5 | -170.1 | -16 | 0 | 0 | 112.8 | I954 L963 F968 W984 L1716 I1730 Q1732 Y1734 D1736 H1737 | I954-Q965 PolarHBondContact O-NE2 2.94Å; L963-Q965 PolarHBondContact O-N 3.04Å; L963-Q965 VanDerWaalsContact O-N 3.14Å; Q965-F968 HydrophobicContact CB-CE2 3.52Å; Q965-F968 HydrophobicContact CB-CZ 4.19Å; Q965-F968 HydrophobicContact CG-CE2 3.52Å; Q965-F968 HydrophobicContact CG-CZ 3.97Å; Q965-W984 HydrophobicContact CB-CE3 4.47Å; Q965-W984 HydrophobicContact CB-CH2 3.97Å; Q965-W984 HydrophobicContact CB-CZ3 3.63Å; Q965-W984 HydrophobicContact CG-CH2 3.88Å; Q965-W984 HydrophobicContact CG-CZ3 3.95Å; Q965-W984 VanDerWaalsContact N-CH2 3.31Å; Q965-L1716 WeakPolarHBondContact O-CB 3.33Å; Q965-L1716 WeakPolarHBondContact O-CD2 3.47Å; Q965-L1716 WeakPolarHBondContact O-CG 3.1Å; Q965-I1730 HydrophobicContact CB-CG2 4.08Å; Q965-I1730 VanDerWaalsContact OE1-CD1 3.25Å; Q965-Q1732 WeakPolarHBondContact CB-O 3.25Å; Q965-Q1732 PolarHBondContact OE1-O 2.85Å; Q965-Y1734 VanDerWaalsContact C-CD2 3.45Å; Q965-Y1734 HydrophobicContact CB-CD2 4.39Å; Q965-Y1734 WeakPolarHBondContact CG-O 3.2Å; Q965-Y1734 PolarHBondContact NE2-O 2.75Å; Q965-D1736 PolarHBondContact N-OD1 3.36Å; Q965-H1737 WeakPolarHBondContact CB-CE1 3.47Å; Q965-H1737 VanDerWaalsContact CB-ND1 3.32Å; Q965-H1737 WeakPolarHBondContact CB-ND1 3.09Å; Q965-H1737 HydrophobicContact CG-CB 3.64Å; Q965-H1737 VanDerWaalsContact CG-CE1 3.43Å; Q965-H1737 WeakPolarHBondContact CG-CE1 3.18Å; Q965-H1737 WeakPolarHBondContact CG-ND1 3.41Å; Q965-H1737 VanDerWaalsContact OE1-CB 3.24Å; Q965-H1737 PolarHBondContact OE1-ND1 3.26Å | ||
| 966 | G | 38.2 | Very low | 46.9 | Very low | 37.25 Ų | 37.25 | 104.7 Ų | 104.7 | 38% | 0.384 | 55% | 0.554 | S | S | . | * | trans | -133.2 | 123.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P964 F968 Q1732 Y1734 | P964-G966 PolarHBondContact O-N 3.15Å; G966-F968 VanDerWaalsContact C-N 3.29Å; G966-F968 WeakPolarHBondContact O-CD2 3.48Å; G966-F968 WeakPolarHBondContact O-CE2 3.38Å; G966-F968 PolarHBondContact O-N 3.06Å; G966-F968 VanDerWaalsContact O-N 3.09Å; G966-Q1732 VanDerWaalsContact C-NE2 3.28Å; G966-Q1732 VanDerWaalsContact CA-OE1 3.29Å; G966-Q1732 PolarHBondContact O-NE2 2.87Å; G966-Q1732 PolarHBondContact O-OE1 2.75Å; G966-Y1734 PolarHBondContact O-OH 2.74Å | ||
| 967 | N | 35.1 | Very low | 45.2 | Very low | 128.75 Ų | 128.75 | 108.7 Ų | 108.7 | 69% | 0.689 | 58% | 0.578 | S | S | * | * | trans | 34.6 | 70.9 | 174.7 | -63.4 | -10 | 0 | 0 | 0 | 118.3 | T969 N977 T978 Q1732 | N967-T969 PolarHBondContact O-N 3.14Å; N967-N977 PolarHBondContact ND2-ND2 3.42Å; N967-N977 PolarHBondContact ND2-OD1 3.18Å; N967-N977 PolarHBondContact OD1-OD1 3.14Å; N967-T978 WeakPolarHBondContact OD1-CG2 3.36Å; N967-Q1732 VanDerWaalsContact C-CD 3.44Å; N967-Q1732 VanDerWaalsContact C-CG 3.49Å; N967-Q1732 VanDerWaalsContact CA-CB 3.49Å; N967-Q1732 VanDerWaalsContact N-CD 3.26Å; N967-Q1732 PolarHBondContact O-NE2 3.38Å | ||
| 968 | F | 38.8 | Very low | 43.4 | Very low | 94.25 Ų | 94.25 | 108.8 Ų | 108.8 | 41% | 0.413 | 59% | 0.588 | S | S | . | * | trans | -92.1 | 94.8 | 165.1 | -69.2 | -91 | 0 | 0 | 0 | 108.2 | W956 L963 Q965 G966 L970 E1682 G1683 L1684 Q1732 | W956-F968 HydrophobicContact CB-CE1 3.91Å; W956-F968 HydrophobicContact CB-CE2 4.06Å; W956-F968 HydrophobicContact CB-CZ 3.54Å; W956-F968 AromaticContact CD1-CD1 3.46Å; W956-F968 AromaticContact CD1-CD2 3.29Å; W956-F968 AromaticContact CD1-CE1 3.5Å; W956-F968 AromaticContact CD1-CE2 3.28Å; W956-F968 AromaticContact CD1-CG 3.57Å; W956-F968 AromaticContact CD1-CZ 3.65Å; W956-F968 AromaticContact CD2-CD1 3.8Å; W956-F968 HydrophobicContact CD2-CD1 3.8Å; W956-F968 AromaticContact CD2-CE1 3.45Å; W956-F968 HydrophobicContact CD2-CE1 3.45Å; W956-F968 HydrophobicContact CD2-CE2 4.41Å; W956-F968 HydrophobicContact CD2-CG 4.42Å; W956-F968 AromaticContact CD2-CZ 3.65Å; W956-F968 HydrophobicContact CD2-CZ 4.05Å; W956-F968 AromaticContact CE2-CD1 3.46Å; W956-F968 AromaticContact CE2-CE1 3.27Å; W956-F968 AromaticContact CE2-CG 3.85Å; W956-F968 AromaticContact CE3-CE1 3.88Å; W956-F968 HydrophobicContact CE3-CE1 4.1Å; W956-F968 HydrophobicContact CE3-CZ 4.41Å; W956-F968 AromaticContact CG-CD1 3.79Å; W956-F968 HydrophobicContact CG-CD1 3.79Å; W956-F968 HydrophobicContact CG-CD2 4.03Å; W956-F968 AromaticContact CG-CE1 3.35Å; W956-F968 HydrophobicContact CG-CE1 3.35Å; W956-F968 VanDerWaalsContact CG-CE1 3.46Å; W956-F968 AromaticContact CG-CE2 3.55Å; W956-F968 HydrophobicContact CG-CE2 3.98Å; W956-F968 HydrophobicContact CG-CG 4.28Å; W956-F968 AromaticContact CG-CZ 3.46Å; W956-F968 HydrophobicContact CG-CZ 3.46Å; W956-F968 HydrophobicContact CH2-CE1 4.47Å; W956-F968 AromaticContact CZ2-CD1 3.66Å; W956-F968 HydrophobicContact CZ2-CD1 4.06Å; W956-F968 AromaticContact CZ2-CE1 3.93Å; W956-F968 HydrophobicContact CZ2-CE1 3.93Å; W956-F968 HydrophobicContact CZ2-CZ 4.48Å; W956-F968 HydrophobicContact CZ3-CE1 4.46Å; W956-F968 AromaticContact NE1-CD1 3.25Å; W956-F968 AromaticContact NE1-CD2 3.67Å; W956-F968 AromaticContact NE1-CE1 3.68Å; W956-F968 AromaticContact NE1-CE2 4Å; W956-F968 AromaticContact NE1-CG 3.52Å; W956-F968 AromaticContact NE1-CZ 3.86Å; L963-F968 HydrophobicContact CB-CE2 4.42Å; L963-F968 HydrophobicContact CB-CZ 3.87Å; L963-F968 HydrophobicContact CD1-CE1 4.39Å; L963-F968 HydrophobicContact CD1-CZ 3.96Å; Q965-F968 HydrophobicContact CB-CE2 3.52Å; Q965-F968 HydrophobicContact CB-CZ 4.19Å; Q965-F968 HydrophobicContact CG-CE2 3.52Å; Q965-F968 HydrophobicContact CG-CZ 3.97Å; G966-F968 VanDerWaalsContact C-N 3.29Å; G966-F968 WeakPolarHBondContact O-CD2 3.48Å; G966-F968 WeakPolarHBondContact O-CE2 3.38Å; G966-F968 PolarHBondContact O-N 3.06Å; G966-F968 VanDerWaalsContact O-N 3.09Å; F968-L970 PolarHBondContact O-N 2.98Å; F968-L970 VanDerWaalsContact O-N 3.13Å; F968-E1682 WeakPolarHBondContact CZ-O 3.27Å; F968-G1683 VanDerWaalsContact CB-C 3.48Å; F968-G1683 WeakPolarHBondContact CB-O 3.34Å; F968-G1683 VanDerWaalsContact CZ-CA 3.45Å; F968-L1684 HydrophobicContact CD1-CD2 4.28Å; F968-Q1732 HydrophobicContact CB-CG 3.98Å; F968-Q1732 HydrophobicContact CD2-CG 4Å; F968-Q1732 HydrophobicContact CG-CG 4.32Å; F968-Q1732 VanDerWaalsContact N-CB 3.27Å | ||
| 969 | T | 33.8 | Very low | 41.7 | Very low | 99.25 Ų | 99.25 | 109.2 Ų | 109.2 | 61% | 0.609 | 59% | 0.593 | S | S | * | * | trans | -74.9 | 116.6 | 169.2 | 41.7 | 0 | 0 | 0 | 0 | 110.6 | N967 F971 | N967-T969 PolarHBondContact O-N 3.14Å; T969-F971 HydrophobicContact CG2-CD1 4.5Å; T969-F971 HydrophobicContact CG2-CE1 4.13Å; T969-F971 HydrophobicContact CG2-CE2 4.39Å; T969-F971 HydrophobicContact CG2-CZ 4.07Å; T969-F971 WeakPolarHBondContact O-CD2 3.14Å; T969-F971 PolarHBondContact O-N 3.36Å; T969-F971 VanDerWaalsContact OG1-CE2 3.25Å; T969-F971 WeakPolarHBondContact OG1-CE2 3.28Å; T969-F971 WeakPolarHBondContact OG1-CZ 3.34Å | ||
| 970 | L | 34.2 | Very low | 40.3 | Very low | 126.75 Ų | 126.75 | 107.4 Ų | 107.4 | 66% | 0.664 | 58% | 0.58 | S | S | * | * | trans | -69.2 | 112.5 | 155.4 | -112 | 99.8 | 0 | 0 | 0 | 108.7 | L947 I954 F968 E972 L1684 P1685 | L947-L970 HydrophobicContact CD2-CD2 3.78Å; L947-L970 HydrophobicContact CD2-CG 4.44Å; I954-L970 HydrophobicContact CD1-CD1 4.13Å; F968-L970 PolarHBondContact O-N 2.98Å; F968-L970 VanDerWaalsContact O-N 3.13Å; L970-E972 PolarHBondContact O-N 2.87Å; L970-L1684 HydrophobicContact CD1-CD2 3.73Å; L970-P1685 HydrophobicContact CD1-CG 4.05Å | ||
| 971 | F | 30.2 | Very low | 39.2 | Very low | 162.5 Ų | 162.5 | 111.4 Ų | 111.4 | 71% | 0.713 | 58% | 0.584 | S | S | * | * | trans | -100.9 | 98.5 | 178.6 | -76.4 | -87.6 | 0 | 0 | 0 | 110.5 | T969 | T969-F971 HydrophobicContact CG2-CD1 4.5Å; T969-F971 HydrophobicContact CG2-CE1 4.13Å; T969-F971 HydrophobicContact CG2-CE2 4.39Å; T969-F971 HydrophobicContact CG2-CZ 4.07Å; T969-F971 WeakPolarHBondContact O-CD2 3.14Å; T969-F971 PolarHBondContact O-N 3.36Å; T969-F971 VanDerWaalsContact OG1-CE2 3.25Å; T969-F971 WeakPolarHBondContact OG1-CE2 3.28Å; T969-F971 WeakPolarHBondContact OG1-CZ 3.34Å | ||
| 972 | E | 31.1 | Very low | 38.6 | Very low | 139.25 Ų | 139.25 | 110.8 Ų | 110.8 | 65% | 0.651 | 58% | 0.581 | S | S | * | * | trans | -161.5 | 138.1 | 156.4 | -97.7 | 175.1 | -179 | 0 | 0 | 111.4 | Q804 P805 L970 I974 | Q804-E972 PolarHBondContact NE2-OE1 2.72Å; Q804-E972 PolarHBondContact OE1-OE1 3.24Å; P805-E972 WeakPolarHBondContact CD-OE1 3.34Å; P805-E972 HydrophobicContact CG-CG 3.71Å; L970-E972 PolarHBondContact O-N 2.87Å; E972-I974 PolarHBondContact O-N 2.84Å; E972-I974 VanDerWaalsContact O-N 3.15Å | ||
| 973 | T | 27.3 | Very low | 37.6 | Very low | 119.75 Ų | 119.75 | 110.9 Ų | 110.9 | 74% | 0.735 | 58% | 0.583 | S | S | * | * | trans | -98.5 | 113.7 | -176.1 | -19.6 | 0 | 0 | 0 | 0 | 112.3 | R939 | R939-T973 HydrophobicContact CG-CG2 3.74Å; R939-T973 VanDerWaalsContact CZ-OG1 3.29Å; R939-T973 PolarHBondContact NH2-OG1 3.18Å | ||
| 974 | I | 31 | Very low | 37 | Very low | 114.75 Ų | 114.75 | 113.7 Ų | 113.7 | 59% | 0.588 | 59% | 0.59 | S | S | * | * | trans | -129.6 | 133.1 | 151.3 | -66.1 | 169.4 | 0 | 0 | 0 | 107.3 | W956 E972 F976 | W956-I974 HydrophobicContact CB-CD1 4.49Å; W956-I974 HydrophobicContact CD2-CD1 3.37Å; W956-I974 HydrophobicContact CE3-CD1 3.94Å; W956-I974 HydrophobicContact CG-CD1 3.61Å; W956-I974 HydrophobicContact CH2-CD1 4.28Å; W956-I974 HydrophobicContact CZ2-CD1 3.78Å; W956-I974 HydrophobicContact CZ3-CD1 4.34Å; E972-I974 PolarHBondContact O-N 2.84Å; E972-I974 VanDerWaalsContact O-N 3.15Å; I974-F976 HydrophobicContact CB-CD2 4.33Å; I974-F976 HydrophobicContact CB-CE2 3.92Å; I974-F976 HydrophobicContact CB-CZ 4.48Å; I974-F976 HydrophobicContact CG2-CD1 4.35Å; I974-F976 HydrophobicContact CG2-CD2 3.91Å; I974-F976 HydrophobicContact CG2-CE1 4.2Å; I974-F976 HydrophobicContact CG2-CE2 3.67Å; I974-F976 HydrophobicContact CG2-CG 4.26Å; I974-F976 HydrophobicContact CG2-CZ 3.83Å; I974-F976 PolarHBondContact O-N 3.14Å | ||
| 975 | D | 28.6 | Very low | 36.8 | Very low | 125.75 Ų | 125.75 | 112.7 Ų | 112.7 | 67% | 0.672 | 58% | 0.58 | S | S | * | * | trans | -95.6 | 117.7 | -174.9 | -163 | 1.7 | 0 | 0 | 0 | 111.8 | N977 | D975-N977 PolarHBondContact O-N 2.83Å; D975-N977 VanDerWaalsContact O-N 3.11Å; D975-N977 PolarHBondContact OD1-N 2.88Å; D975-N977 PolarHBondContact OD1-ND2 2.81Å; D975-N977 VanDerWaalsContact OD1-ND2 3.09Å | ||
| 976 | F | 28.2 | Very low | 37 | Very low | 119.75 Ų | 119.75 | 112.3 Ų | 112.3 | 53% | 0.525 | 58% | 0.576 | S | S | . | * | trans | -128.4 | 70.8 | 176.1 | -70.2 | -74 | 0 | 0 | 0 | 111.9 | K17 F50 Y52 V938 L940 L963 I974 T978 | K17-F976 PolarHBondContact NZ-O 2.92Å; F50-F976 HydrophobicContact CB-CD1 3.53Å; F50-F976 HydrophobicContact CB-CE1 3.28Å; F50-F976 HydrophobicContact CB-CZ 4.43Å; F50-F976 HydrophobicContact CD1-CD1 4.29Å; F50-F976 AromaticContact CD1-CE1 3.2Å; F50-F976 HydrophobicContact CD1-CE1 3.2Å; F50-F976 AromaticContact CD1-CZ 3.61Å; F50-F976 HydrophobicContact CD1-CZ 3.61Å; F50-F976 HydrophobicContact CD2-CE1 4.29Å; F50-F976 HydrophobicContact CE1-CE1 4.08Å; F50-F976 HydrophobicContact CE1-CZ 4.17Å; F50-F976 HydrophobicContact CG-CD1 4.11Å; F50-F976 AromaticContact CG-CE1 3.33Å; F50-F976 HydrophobicContact CG-CE1 3.33Å; F50-F976 HydrophobicContact CG-CZ 4.21Å; Y52-F976 VanDerWaalsContact OH-C 3.29Å; V938-F976 HydrophobicContact CG1-CB 4.48Å; V938-F976 HydrophobicContact CG1-CD2 3.66Å; V938-F976 HydrophobicContact CG1-CE2 4.02Å; V938-F976 HydrophobicContact CG1-CG 4.16Å; V938-F976 WeakPolarHBondContact O-CD2 3.39Å; L940-F976 HydrophobicContact CB-CE2 4.16Å; L940-F976 HydrophobicContact CD1-CE2 3.88Å; L940-F976 HydrophobicContact CD1-CZ 3.76Å; L940-F976 HydrophobicContact CG-CE2 3.86Å; L940-F976 HydrophobicContact CG-CZ 4.27Å; L963-F976 HydrophobicContact CD1-CE1 3.59Å; L963-F976 HydrophobicContact CD1-CZ 3.91Å; I974-F976 HydrophobicContact CB-CD2 4.33Å; I974-F976 HydrophobicContact CB-CE2 3.92Å; I974-F976 HydrophobicContact CB-CZ 4.48Å; I974-F976 HydrophobicContact CG2-CD1 4.35Å; I974-F976 HydrophobicContact CG2-CD2 3.91Å; I974-F976 HydrophobicContact CG2-CE1 4.2Å; I974-F976 HydrophobicContact CG2-CE2 3.67Å; I974-F976 HydrophobicContact CG2-CG 4.26Å; I974-F976 HydrophobicContact CG2-CZ 3.83Å; I974-F976 PolarHBondContact O-N 3.14Å; F976-T978 PolarHBondContact O-N 3Å | ||
| 977 | N | 31.4 | Very low | 37.8 | Very low | 119.25 Ų | 119.25 | 114.2 Ų | 114.2 | 64% | 0.638 | 58% | 0.576 | S | S | * | * | trans | -101.3 | 97.6 | 175.7 | -84.3 | -42.6 | 0 | 0 | 0 | 115.8 | K17 Y52 N967 D975 | K17-N977 VanDerWaalsContact CD-C 3.49Å; Y52-N977 VanDerWaalsContact CE1-O 3.28Å; Y52-N977 WeakPolarHBondContact CE1-O 3.14Å; Y52-N977 VanDerWaalsContact CZ-O 3.29Å; Y52-N977 WeakPolarHBondContact OH-CA 3.4Å; Y52-N977 PolarHBondContact OH-N 3.38Å; Y52-N977 PolarHBondContact OH-O 2.88Å; N967-N977 PolarHBondContact ND2-ND2 3.42Å; N967-N977 PolarHBondContact ND2-OD1 3.18Å; N967-N977 PolarHBondContact OD1-OD1 3.14Å; D975-N977 PolarHBondContact O-N 2.83Å; D975-N977 VanDerWaalsContact O-N 3.11Å; D975-N977 PolarHBondContact OD1-N 2.88Å; D975-N977 PolarHBondContact OD1-ND2 2.81Å; D975-N977 VanDerWaalsContact OD1-ND2 3.09Å | ||
| 978 | T | 33.6 | Very low | 38.7 | Very low | 117.75 Ų | 117.75 | 111.3 Ų | 111.3 | 72% | 0.722 | 56% | 0.559 | S | S | * | * | trans | -150 | 94.8 | 159.7 | 36.4 | 0 | 0 | 0 | 0 | 114.6 | K17 N967 F976 | K17-T978 VanDerWaalsContact CB-C 3.48Å; K17-T978 WeakPolarHBondContact CB-O 3.28Å; K17-T978 WeakPolarHBondContact CD-O 3.34Å; N967-T978 WeakPolarHBondContact OD1-CG2 3.36Å; F976-T978 PolarHBondContact O-N 3Å | ||
| 979 | M | 32.1 | Very low | 39.6 | Very low | 128.25 Ų | 128.25 | 113 Ų | 113 | 63% | 0.632 | 57% | 0.568 | S | S | * | * | trans | -107.9 | 96.9 | 179.8 | -80.8 | -136.4 | 88.7 | 0 | 0 | 111.2 | K17 A19 I72 G935 | K17-M979 HydrophobicContact CB-CB 3.9Å; K17-M979 HydrophobicContact CB-CG 3.56Å; K17-M979 HydrophobicContact CD-CB 3.98Å; K17-M979 HydrophobicContact CD-CG 4.42Å; K17-M979 HydrophobicContact CG-CB 3.95Å; K17-M979 HydrophobicContact CG-CG 3.83Å; K17-M979 WeakPolarHBondContact O-CE 3.22Å; K17-M979 WeakPolarHBondContact O-CG 3.37Å; A19-M979 HydrophobicContact CB-CB 3.66Å; A19-M979 HydrophobicContact CB-CG 3.86Å; A19-M979 HydrophobicContact CB-SD 3.56Å; A19-M979 VanDerWaalsContact CB-SD 3.56Å; A19-M979 PolarHBondContact N-SD 3.22Å; I72-M979 HydrophobicContact CD1-CE 3.97Å; G935-M979 VanDerWaalsContact CA-SD 3.58Å | ||
| 980 | H | 40.9 | Very low | 40.6 | Very low | 107.75 Ų | 107.75 | 113.8 Ų | 113.8 | 50% | 0.499 | 57% | 0.568 | S | S | . | * | trans | -126.2 | 124.5 | 156.6 | -129.9 | -97.7 | 0 | 0 | 0 | 113.7 | S81 E982 S983 W984 | S81-H980 PolarHBondContact OG-NE2 3.18Å; S81-H980 VanDerWaalsContact OG-NE2 3.07Å; H980-E982 IonicContact CE1-OE1 2.81Å; H980-E982 IonicContact CE1-OE2 3.14Å; H980-E982 PolarHBondContact CE1-OE2 2.82Å; H980-E982 IonicContact ND1-OE1 2.6Å; H980-E982 IonicContact ND1-OE2 3.56Å; H980-E982 PolarHBondContact ND1-OE2 3.39Å; H980-E982 PolarHBondContact O-N 3.18Å; H980-S983 VanDerWaalsContact CB-OG 3.32Å; H980-S983 WeakPolarHBondContact CB-OG 3.44Å; H980-S983 WeakPolarHBondContact O-CB 3.34Å; H980-S983 PolarHBondContact O-N 3.21Å; H980-S983 VanDerWaalsContact O-N 3.11Å; H980-W984 PolarHBondContact O-N 2.97Å; H980-W984 VanDerWaalsContact O-N 3.11Å | ||
| 981 | Q | 43 | Very low | 41.5 | Very low | 140 Ų | 140 | 113.5 Ų | 113.5 | 65% | 0.654 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -70.7 | -27.4 | -172.4 | -166.8 | 142 | 8 | 0 | 0 | 113.5 | E934 S983 W984 N985 | E934-Q981 VanDerWaalsContact CD-CD 3.43Å; E934-Q981 VanDerWaalsContact CD-NE2 3.26Å; E934-Q981 WeakPolarHBondContact OE1-CB 3.28Å; E934-Q981 WeakPolarHBondContact OE1-CG 3.17Å; E934-Q981 PolarHBondContact OE1-NE2 3.13Å; E934-Q981 PolarHBondContact OE1-OE1 3.28Å; E934-Q981 PolarHBondContact OE2-NE2 3.39Å; Q981-S983 VanDerWaalsContact C-N 3.34Å; Q981-S983 PolarHBondContact O-N 3.13Å; Q981-W984 PolarHBondContact O-N 3.02Å; Q981-N985 PolarHBondContact O-N 2.81Å; Q981-N985 VanDerWaalsContact O-N 3.14Å; Q981-N985 PolarHBondContact O-ND2 3.4Å; Q981-N985 PolarHBondContact O-OD1 2.94Å |
| 982 | E | 44.7 | Very low | 42.2 | Very low | 116 Ų | 116 | 111.2 Ų | 111.2 | 54% | 0.542 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -73.5 | -28.8 | 175.6 | -69 | 170.1 | 160.9 | 0 | 0 | 113.3 | H980 W984 N985 K986 | H980-E982 IonicContact CE1-OE1 2.81Å; H980-E982 IonicContact CE1-OE2 3.14Å; H980-E982 PolarHBondContact CE1-OE2 2.82Å; H980-E982 IonicContact ND1-OE1 2.6Å; H980-E982 IonicContact ND1-OE2 3.56Å; H980-E982 PolarHBondContact ND1-OE2 3.39Å; H980-E982 PolarHBondContact O-N 3.18Å; E982-W984 PolarHBondContact O-N 2.88Å; E982-N985 PolarHBondContact O-N 3.03Å; E982-K986 WeakPolarHBondContact O-CB 3.19Å; E982-K986 WeakPolarHBondContact O-CG 3.22Å; E982-K986 PolarHBondContact O-N 3.13Å; E982-K986 VanDerWaalsContact O-N 3.1Å |
| 983 | S | 43.7 | Very low | 42.8 | Very low | 66 Ų | 66 | 112.2 Ų | 112.2 | 46% | 0.462 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.3 | -35.7 | 172.9 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | H980 Q981 K986 I987 | H980-S983 VanDerWaalsContact CB-OG 3.32Å; H980-S983 WeakPolarHBondContact CB-OG 3.44Å; H980-S983 WeakPolarHBondContact O-CB 3.34Å; H980-S983 PolarHBondContact O-N 3.21Å; H980-S983 VanDerWaalsContact O-N 3.11Å; Q981-S983 VanDerWaalsContact C-N 3.34Å; Q981-S983 PolarHBondContact O-N 3.13Å; S983-K986 PolarHBondContact O-N 2.59Å; S983-I987 WeakPolarHBondContact O-CB 3.48Å; S983-I987 VanDerWaalsContact O-CD1 3.31Å; S983-I987 WeakPolarHBondContact O-CD1 3.32Å; S983-I987 VanDerWaalsContact O-CG1 3.27Å; S983-I987 WeakPolarHBondContact O-CG1 3.38Å; S983-I987 PolarHBondContact O-N 3.16Å; S983-I987 VanDerWaalsContact O-N 3.13Å |
| 984 | W | 46.5 | Very low | 43.3 | Very low | 108.25 Ų | 108.25 | 111.3 Ų | 111.3 | 41% | 0.41 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.2 | -42.5 | 174.1 | -157.6 | -174.6 | 0 | 0 | 0 | 112 | L963 P964 Q965 H980 Q981 E982 K986 I987 Q988 | L963-W984 WeakPolarHBondContact O-CZ2 3.36Å; P964-W984 HydrophobicContact CB-CD2 3.99Å; P964-W984 HydrophobicContact CB-CG 3.98Å; P964-W984 HydrophobicContact CB-CZ2 4.49Å; P964-W984 HydrophobicContact CG-CG 4.41Å; Q965-W984 HydrophobicContact CB-CE3 4.47Å; Q965-W984 HydrophobicContact CB-CH2 3.97Å; Q965-W984 HydrophobicContact CB-CZ3 3.63Å; Q965-W984 HydrophobicContact CG-CH2 3.88Å; Q965-W984 HydrophobicContact CG-CZ3 3.95Å; Q965-W984 VanDerWaalsContact N-CH2 3.31Å; H980-W984 PolarHBondContact O-N 2.97Å; H980-W984 VanDerWaalsContact O-N 3.11Å; Q981-W984 PolarHBondContact O-N 3.02Å; E982-W984 PolarHBondContact O-N 2.88Å; W984-K986 PolarHBondContact O-N 2.84Å; W984-I987 PolarHBondContact O-N 3.06Å; W984-I987 VanDerWaalsContact O-N 3.17Å; W984-Q988 HydrophobicContact CE3-CB 4.46Å; W984-Q988 HydrophobicContact CE3-CG 3.8Å; W984-Q988 HydrophobicContact CH2-CG 4.36Å; W984-Q988 HydrophobicContact CZ2-CG 4.28Å; W984-Q988 HydrophobicContact CZ3-CG 3.65Å; W984-Q988 VanDerWaalsContact CZ3-CG 3.47Å; W984-Q988 WeakPolarHBondContact O-CB 3.36Å; W984-Q988 PolarHBondContact O-N 3.12Å |
| 985 | N | 52 | Low | 43.6 | Very low | 80.25 Ų | 80.25 | 111.8 Ų | 111.8 | 43% | 0.429 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.4 | -38.9 | 176.9 | -70.5 | -11.9 | 0 | 0 | 0 | 112.5 | Q981 E982 I987 Q988 E989 | Q981-N985 PolarHBondContact O-N 2.81Å; Q981-N985 VanDerWaalsContact O-N 3.14Å; Q981-N985 PolarHBondContact O-ND2 3.4Å; Q981-N985 PolarHBondContact O-OD1 2.94Å; E982-N985 PolarHBondContact O-N 3.03Å; N985-I987 VanDerWaalsContact C-N 3.3Å; N985-I987 PolarHBondContact O-N 2.86Å; N985-Q988 CarbonylContact O-C 3.6Å; N985-Q988 PolarHBondContact O-N 2.87Å; N985-Q988 VanDerWaalsContact O-N 3.11Å; N985-E989 WeakPolarHBondContact O-CB 3.35Å; N985-E989 WeakPolarHBondContact O-CG 3.49Å; N985-E989 PolarHBondContact O-N 3.17Å |
| 986 | K | 52.4 | Low | 44 | Very low | 107 Ų | 107 | 111.7 Ų | 111.7 | 47% | 0.465 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.8 | -35.3 | 173.2 | -97.2 | 172.3 | 177.3 | 164.7 | 0 | 112.9 | E982 S983 W984 Q988 E989 I990 Q1502 | E982-K986 WeakPolarHBondContact O-CB 3.19Å; E982-K986 WeakPolarHBondContact O-CG 3.22Å; E982-K986 PolarHBondContact O-N 3.13Å; E982-K986 VanDerWaalsContact O-N 3.1Å; S983-K986 PolarHBondContact O-N 2.59Å; W984-K986 PolarHBondContact O-N 2.84Å; K986-Q988 VanDerWaalsContact C-N 3.35Å; K986-E989 PolarHBondContact O-N 3.11Å; K986-I990 WeakPolarHBondContact O-CB 3.37Å; K986-I990 VanDerWaalsContact O-CD1 3.3Å; K986-I990 WeakPolarHBondContact O-CD1 3.36Å; K986-I990 VanDerWaalsContact O-CG1 3.26Å; K986-I990 WeakPolarHBondContact O-CG1 3.33Å; K986-I990 PolarHBondContact O-N 2.87Å; K986-Q1502 PolarHBondContact NZ-O 3.21Å |
| 987 | I | 55.4 | Low | 44.3 | Very low | 76.75 Ų | 76.75 | 115.2 Ų | 115.2 | 39% | 0.394 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.6 | -44.1 | 172.7 | -70.9 | 164.5 | 0 | 0 | 0 | 109.7 | S983 W984 N985 E989 I990 E991 | S983-I987 WeakPolarHBondContact O-CB 3.48Å; S983-I987 VanDerWaalsContact O-CD1 3.31Å; S983-I987 WeakPolarHBondContact O-CD1 3.32Å; S983-I987 VanDerWaalsContact O-CG1 3.27Å; S983-I987 WeakPolarHBondContact O-CG1 3.38Å; S983-I987 PolarHBondContact O-N 3.16Å; S983-I987 VanDerWaalsContact O-N 3.13Å; W984-I987 PolarHBondContact O-N 3.06Å; W984-I987 VanDerWaalsContact O-N 3.17Å; N985-I987 VanDerWaalsContact C-N 3.3Å; N985-I987 PolarHBondContact O-N 2.86Å; I987-E989 VanDerWaalsContact C-N 3.34Å; I987-E989 PolarHBondContact O-N 2.78Å; I987-I990 CarbonylContact O-C 3.51Å; I987-I990 PolarHBondContact O-N 3.15Å; I987-I990 VanDerWaalsContact O-N 3.13Å; I987-E991 VanDerWaalsContact CG2-CD 3.42Å; I987-E991 HydrophobicContact CG2-CG 4.2Å; I987-E991 WeakPolarHBondContact CG2-OE1 3.34Å; I987-E991 VanDerWaalsContact O-CB 3.27Å; I987-E991 WeakPolarHBondContact O-CB 3.24Å; I987-E991 VanDerWaalsContact O-CG 3.28Å; I987-E991 WeakPolarHBondContact O-CG 3.24Å; I987-E991 PolarHBondContact O-N 2.91Å |
| 988 | Q | 53 | Low | 44.7 | Very low | 68.75 Ų | 68.75 | 113.5 Ų | 113.5 | 32% | 0.321 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.8 | -35.2 | 173.9 | -81.4 | -170.1 | -54.4 | 0 | 0 | 113.8 | P962 W984 N985 K986 I990 N992 | P962-Q988 PolarHBondContact O-NE2 2.98Å; W984-Q988 HydrophobicContact CE3-CB 4.46Å; W984-Q988 HydrophobicContact CE3-CG 3.8Å; W984-Q988 HydrophobicContact CH2-CG 4.36Å; W984-Q988 HydrophobicContact CZ2-CG 4.28Å; W984-Q988 HydrophobicContact CZ3-CG 3.65Å; W984-Q988 VanDerWaalsContact CZ3-CG 3.47Å; W984-Q988 WeakPolarHBondContact O-CB 3.36Å; W984-Q988 PolarHBondContact O-N 3.12Å; N985-Q988 CarbonylContact O-C 3.6Å; N985-Q988 PolarHBondContact O-N 2.87Å; N985-Q988 VanDerWaalsContact O-N 3.11Å; K986-Q988 VanDerWaalsContact C-N 3.35Å; Q988-I990 VanDerWaalsContact C-N 3.32Å; Q988-N992 VanDerWaalsContact O-CB 3.28Å; Q988-N992 WeakPolarHBondContact O-CB 3.41Å; Q988-N992 VanDerWaalsContact O-CG 3.27Å; Q988-N992 PolarHBondContact O-N 3.09Å; Q988-N992 PolarHBondContact O-ND2 2.92Å |
| 989 | E | 58 | Low | 44.8 | Very low | 130 Ų | 130 | 114.9 Ų | 114.9 | 61% | 0.607 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70 | -29.2 | 173.7 | -79.2 | -179.2 | 162.8 | 0 | 0 | 113 | N985 K986 I987 | N985-E989 WeakPolarHBondContact O-CB 3.35Å; N985-E989 WeakPolarHBondContact O-CG 3.49Å; N985-E989 PolarHBondContact O-N 3.17Å; K986-E989 PolarHBondContact O-N 3.11Å; I987-E989 VanDerWaalsContact C-N 3.34Å; I987-E989 PolarHBondContact O-N 2.78Å |
| 990 | I | 55.4 | Low | 45 | Very low | 116 Ų | 116 | 114.4 Ų | 114.4 | 60% | 0.595 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -79.8 | -37.6 | 175.9 | -68 | 165.6 | 0 | 0 | 0 | 110.9 | K986 I987 Q988 | K986-I990 WeakPolarHBondContact O-CB 3.37Å; K986-I990 VanDerWaalsContact O-CD1 3.3Å; K986-I990 WeakPolarHBondContact O-CD1 3.36Å; K986-I990 VanDerWaalsContact O-CG1 3.26Å; K986-I990 WeakPolarHBondContact O-CG1 3.33Å; K986-I990 PolarHBondContact O-N 2.87Å; I987-I990 CarbonylContact O-C 3.51Å; I987-I990 PolarHBondContact O-N 3.15Å; I987-I990 VanDerWaalsContact O-N 3.13Å; Q988-I990 VanDerWaalsContact C-N 3.32Å |
| 991 | E | 53 | Low | 44.7 | Very low | 119.5 Ų | 119.5 | 117.2 Ų | 117.2 | 56% | 0.558 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76.6 | -27.9 | 178.6 | -72.2 | 178 | 164.9 | 0 | 0 | 113.1 | I987 K993 | I987-E991 VanDerWaalsContact CG2-CD 3.42Å; I987-E991 HydrophobicContact CG2-CG 4.2Å; I987-E991 WeakPolarHBondContact CG2-OE1 3.34Å; I987-E991 VanDerWaalsContact O-CB 3.27Å; I987-E991 WeakPolarHBondContact O-CB 3.24Å; I987-E991 VanDerWaalsContact O-CG 3.28Å; I987-E991 WeakPolarHBondContact O-CG 3.24Å; I987-E991 PolarHBondContact O-N 2.91Å; E991-K993 VanDerWaalsContact C-N 3.3Å; E991-K993 PolarHBondContact O-N 2.87Å |
| 992 | N | 45.9 | Very low | 44.3 | Very low | 114.5 Ų | 114.5 | 114.5 Ų | 114.5 | 61% | 0.612 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 21.3 | 176.7 | -75 | -49.2 | 0 | 0 | 0 | 114.2 | Q988 P994 | Q988-N992 VanDerWaalsContact O-CB 3.28Å; Q988-N992 WeakPolarHBondContact O-CB 3.41Å; Q988-N992 VanDerWaalsContact O-CG 3.27Å; Q988-N992 PolarHBondContact O-N 3.09Å; Q988-N992 PolarHBondContact O-ND2 2.92Å; N992-P994 WeakPolarHBondContact O-CD 3.38Å |
| 993 | K | 42.1 | Very low | 44.4 | Very low | 160.5 Ų | 160.5 | 114 Ų | 114 | 70% | 0.698 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -67.5 | 123.8 | 168.1 | -86.2 | 177 | 179.8 | 170.3 | 0 | 109.5 | E991 | E991-K993 VanDerWaalsContact C-N 3.3Å; E991-K993 PolarHBondContact O-N 2.87Å |
| 994 | P | 39.1 | Very low | 44.8 | Very low | 100.5 Ų | 100.5 | 115.5 Ų | 115.5 | 65% | 0.653 | 63% | 0.626 | S | S | * | * | trans | -61.4 | 146.1 | 176.8 | 26.4 | -33.4 | 0 | 0 | 0 | 109.8 | N992 V996 | N992-P994 WeakPolarHBondContact O-CD 3.38Å; P994-V996 VanDerWaalsContact C-N 3.27Å; P994-V996 PolarHBondContact O-N 3.03Å | ||
| 995 | P | 35.9 | Very low | 45.4 | Very low | 126 Ų | 126 | 114.4 Ų | 114.4 | 82% | 0.818 | 63% | 0.627 | S | S | * | * | trans | -64.5 | 107 | -178.7 | 27 | -32.9 | 0 | 0 | 0 | 109.1 | E997 | P995-E997 PolarHBondContact O-N 2.99Å; P995-E997 VanDerWaalsContact O-N 3.11Å | ||
| 996 | V | 38.5 | Very low | 46.7 | Very low | 122.75 Ų | 122.75 | 118.5 Ų | 118.5 | 74% | 0.744 | 64% | 0.637 | S | S | * | * | trans | -73 | 109.2 | 166.2 | 178.5 | 0 | 0 | 0 | 0 | 105.9 | P994 S998 | P994-V996 VanDerWaalsContact C-N 3.27Å; P994-V996 PolarHBondContact O-N 3.03Å; V996-S998 VanDerWaalsContact C-N 3.26Å; V996-S998 PolarHBondContact O-N 2.81Å; V996-S998 PolarHBondContact O-OG 3.41Å; V996-S998 VanDerWaalsContact O-OG 3.08Å | ||
| 997 | E | 34.5 | Very low | 48.2 | Very low | 194.25 Ų | 194.25 | 115.6 Ų | 115.6 | 91% | 0.908 | 63% | 0.632 | S | S | * | * | trans | -59.7 | 85.9 | 168.3 | -71.7 | -175.9 | 146.2 | 0 | 0 | 109.4 | P995 V999 | P995-E997 PolarHBondContact O-N 2.99Å; P995-E997 VanDerWaalsContact O-N 3.11Å; E997-V999 PolarHBondContact O-N 3.38Å; E997-V999 VanDerWaalsContact O-N 3.16Å | ||
| 998 | S | 38.9 | Very low | 49.7 | Very low | 82.5 Ų | 82.5 | 112 Ų | 112 | 58% | 0.577 | 61% | 0.614 | S | S | * | * | trans | -102 | 119.1 | 168.1 | 54.9 | 0 | 0 | 0 | 0 | 107.5 | V996 V1000 | V996-S998 VanDerWaalsContact C-N 3.26Å; V996-S998 PolarHBondContact O-N 2.81Å; V996-S998 PolarHBondContact O-OG 3.41Å; V996-S998 VanDerWaalsContact O-OG 3.08Å; S998-V1000 PolarHBondContact O-N 2.95Å | ||
| 999 | V | 35 | Very low | 51.5 | Low | 147 Ų | 147 | 112.8 Ų | 112.8 | 89% | 0.891 | 62% | 0.62 | S | S | * | * | trans | -67.9 | 92.9 | 173.5 | -178.2 | 0 | 0 | 0 | 0 | 107.5 | E997 E1001 | E997-V999 PolarHBondContact O-N 3.38Å; E997-V999 VanDerWaalsContact O-N 3.16Å; V999-E1001 VanDerWaalsContact C-N 3.33Å; V999-E1001 PolarHBondContact O-N 2.98Å | ||
| 1000 | V | 36.5 | Very low | 53 | Low | 117.5 Ų | 117.5 | 108.5 Ų | 108.5 | 71% | 0.712 | 60% | 0.599 | S | S | * | * | trans | -89.9 | 112.3 | 174.7 | -177 | 0 | 0 | 0 | 0 | 107.5 | S998 A1002 | S998-V1000 PolarHBondContact O-N 2.95Å; V1000-A1002 PolarHBondContact O-N 3.13Å; V1000-A1002 VanDerWaalsContact O-N 3.09Å | ||
| 1001 | E | 36.1 | Very low | 54.5 | Low | 167.4 Ų | 167.4 | 106.6 Ų | 106.6 | 78% | 0.782 | 59% | 0.592 | S | S | * | * | trans | -40.7 | 134.9 | 156.2 | -67.6 | -176.3 | 144.3 | 0 | 0 | 110.3 | V999 P1003 | V999-E1001 VanDerWaalsContact C-N 3.33Å; V999-E1001 PolarHBondContact O-N 2.98Å; E1001-P1003 VanDerWaalsContact O-N 3.1Å | ||
| 1002 | A | 34.7 | Very low | 56.2 | Low | 83.2 Ų | 83.2 | 103.9 Ų | 103.9 | 69% | 0.688 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 135.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | V1000 T1004 | V1000-A1002 PolarHBondContact O-N 3.13Å; V1000-A1002 VanDerWaalsContact O-N 3.09Å; A1002-T1004 VanDerWaalsContact C-N 3.26Å; A1002-T1004 PolarHBondContact O-N 2.95Å; A1002-T1004 VanDerWaalsContact O-N 3.17Å |
| 1003 | P | 46.9 | Very low | 58.2 | Low | 105.8 Ų | 105.8 | 102.1 Ų | 102.1 | 69% | 0.687 | 58% | 0.575 | S | S | * | * | trans | -59.6 | 115.7 | -179.3 | 24.3 | -31.9 | 0 | 0 | 0 | 108.4 | E1001 I1005 | E1001-P1003 VanDerWaalsContact O-N 3.1Å; P1003-I1005 WeakPolarHBondContact O-CG1 3.38Å; P1003-I1005 PolarHBondContact O-N 3.02Å; P1003-I1005 VanDerWaalsContact O-N 3.11Å | ||
| 1004 | T | 51.5 | Low | 60.4 | Low | 97.4 Ų | 97.4 | 94.9 Ų | 94.9 | 60% | 0.598 | 54% | 0.544 | S | S | * | . | trans | -67 | 94.3 | 173.1 | 46.3 | 0 | 0 | 0 | 0 | 107.1 | A1002 R1006 | A1002-T1004 VanDerWaalsContact C-N 3.26Å; A1002-T1004 PolarHBondContact O-N 2.95Å; A1002-T1004 VanDerWaalsContact O-N 3.17Å; T1004-R1006 WeakPolarHBondContact O-CG 3.26Å; T1004-R1006 PolarHBondContact O-N 2.87Å; T1004-R1006 PolarHBondContact OG1-NE 2.77Å; T1004-R1006 PolarHBondContact OG1-NH2 3.03Å | ||
| 1005 | I | 59.7 | Low | 62.2 | Low | 85 Ų | 85 | 97.2 Ų | 97.2 | 44% | 0.436 | 55% | 0.546 | S | S | . | . | trans | -54.1 | 132.9 | 167.6 | -49.6 | 179 | 0 | 0 | 0 | 106 | P1003 D1037 L1089 | P1003-I1005 WeakPolarHBondContact O-CG1 3.38Å; P1003-I1005 PolarHBondContact O-N 3.02Å; P1003-I1005 VanDerWaalsContact O-N 3.11Å; I1005-D1037 VanDerWaalsContact CG2-OD2 3.28Å; I1005-D1037 WeakPolarHBondContact CG2-OD2 3.37Å; I1005-L1089 VanDerWaalsContact C-CD1 3.48Å; I1005-L1089 HydrophobicContact CB-CD1 3.91Å; I1005-L1089 HydrophobicContact CG2-CD1 3.77Å; I1005-L1089 HydrophobicContact CG2-CG 4.41Å; I1005-L1089 VanDerWaalsContact O-CD1 3.25Å; I1005-L1089 WeakPolarHBondContact O-CD1 3.31Å | ||
| 1006 | R | 77.5 | Confident | 63.8 | Low | 166.6 Ų | 166.6 | 99.6 Ų | 99.6 | 63% | 0.629 | 55% | 0.546 | S | S | * | . | trans | -121 | 155.8 | 179.6 | -56.6 | -175.5 | -176.7 | -178.7 | 1.2 | 108.2 | T1004 N1087 | T1004-R1006 WeakPolarHBondContact O-CG 3.26Å; T1004-R1006 PolarHBondContact O-N 2.87Å; T1004-R1006 PolarHBondContact OG1-NE 2.77Å; T1004-R1006 PolarHBondContact OG1-NH2 3.03Å; R1006-N1087 PolarHBondContact O-ND2 2.89Å | ||
| 1007 | A | 83.7 | Confident | 65.3 | Low | 45 Ų | 45 | 97.2 Ų | 97.2 | 37% | 0.372 | 54% | 0.539 | S | S | . | . | trans | -55.7 | 143.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | L1089 | A1007-L1089 HydrophobicContact CB-CB 4.25Š| ||
| 1008 | P | 87.8 | Confident | 67.3 | Low | 0.8 Ų | 0.8 | 89.4 Ų | 89.4 | 1% | 0.005 | 51% | 0.505 | C | S | . | . | trans | -72.8 | 146 | -171.7 | 33.9 | -32.2 | 0 | 0 | 0 | 109.1 | E1033 L1040 I1085 N1087 G1090 Q1092 | P1008-E1033 CarbonylContact C-O 3.52Å; P1008-E1033 VanDerWaalsContact CA-O 3.26Å; P1008-E1033 WeakPolarHBondContact CA-O 3.44Å; P1008-L1040 HydrophobicContact CB-CD1 3.77Å; P1008-L1040 HydrophobicContact CG-CD1 4.45Å; P1008-I1085 HydrophobicContact CB-CB 4.43Å; P1008-I1085 HydrophobicContact CB-CD1 3.9Å; P1008-I1085 HydrophobicContact CB-CG1 3.98Å; P1008-I1085 HydrophobicContact CG-CD1 4.45Å; P1008-I1085 HydrophobicContact CG-CG1 4.11Å; P1008-N1087 VanDerWaalsContact CD-OD1 3.3Å; P1008-N1087 WeakPolarHBondContact CD-OD1 3.3Å; P1008-G1090 VanDerWaalsContact CD-O 3.28Å; P1008-G1090 WeakPolarHBondContact CD-O 3.29Å; P1008-G1090 WeakPolarHBondContact CG-O 3.23Å; P1008-Q1092 WeakPolarHBondContact O-CG 3.24Å | ||
| 1009 | I | 90.3 | Very high | 69.4 | Low | 87.6 Ų | 87.6 | 89.4 Ų | 89.4 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 147.3 | -179 | 58.2 | 169.3 | 0 | 0 | 0 | 110.5 | V1011 V1032 E1033 | I1009-V1011 PolarHBondContact O-N 3.16Å; I1009-V1032 CarbonylContact O-C 3.51Å; I1009-V1032 VanDerWaalsContact O-CA 3.25Å; I1009-V1032 WeakPolarHBondContact O-CA 3.35Å; I1009-E1033 HydrophobicContact CD1-CB 4.43Å; I1009-E1033 HydrophobicContact CG1-CB 4Å; I1009-E1033 WeakPolarHBondContact CG1-O 3.28Å; I1009-E1033 PolarHBondContact N-O 2.9Å; I1009-E1033 PolarHBondContact O-N 3.08Å |
| 1010 | F | 90.5 | Very high | 71.8 | Confident | 38 Ų | 38 | 83 Ų | 83 | 17% | 0.167 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 111.2 | 167.9 | -68.8 | -82.9 | 0 | 0 | 0 | 109.3 | P1013 C1030 R1031 V1032 C1083 I1085 Q1092 E1093 C1094 | F1010-P1013 HydrophobicContact CB-CB 4.49Å; F1010-C1030 HydrophobicContact CD1-CB 4.09Å; F1010-C1030 HydrophobicContact CE1-CB 4.33Å; F1010-R1031 CarbonylContact C-O 3.48Å; F1010-R1031 WeakPolarHBondContact CA-O 3.39Å; F1010-V1032 HydrophobicContact CD1-CG1 3.63Å; F1010-V1032 HydrophobicContact CE1-CG1 3.72Å; F1010-V1032 HydrophobicContact CG-CG1 4.42Å; F1010-C1083 HydrophobicContact CE1-CB 4.18Å; F1010-C1083 HydrophobicContact CZ-CB 4.22Å; F1010-C1083 VanDerWaalsContact CZ-O 3.25Å; F1010-C1083 WeakPolarHBondContact CZ-O 3.37Å; F1010-I1085 HydrophobicContact CD1-CD1 4.26Å; F1010-I1085 HydrophobicContact CD2-CD1 3.92Å; F1010-I1085 HydrophobicContact CD2-CG1 4.44Å; F1010-I1085 HydrophobicContact CE1-CD1 4.02Å; F1010-I1085 HydrophobicContact CE1-CG1 4.44Å; F1010-I1085 HydrophobicContact CE1-CG2 4.18Å; F1010-I1085 HydrophobicContact CE2-CD1 3.66Å; F1010-I1085 HydrophobicContact CE2-CG1 3.74Å; F1010-I1085 HydrophobicContact CG-CD1 4.2Å; F1010-I1085 HydrophobicContact CZ-CB 4.37Å; F1010-I1085 HydrophobicContact CZ-CD1 3.71Å; F1010-I1085 HydrophobicContact CZ-CG1 3.74Å; F1010-I1085 HydrophobicContact CZ-CG2 3.94Å; F1010-Q1092 HydrophobicContact CD2-CB 4.01Å; F1010-Q1092 HydrophobicContact CE2-CB 3.74Å; F1010-E1093 VanDerWaalsContact CE2-C 3.5Å; F1010-C1094 HydrophobicContact CD1-CB 3.85Å; F1010-C1094 HydrophobicContact CD2-CB 3.74Å; F1010-C1094 HydrophobicContact CE1-CB 3.66Å; F1010-C1094 HydrophobicContact CE2-CB 3.53Å; F1010-C1094 VanDerWaalsContact CE2-CB 3.49Å; F1010-C1094 HydrophobicContact CG-CB 3.89Å; F1010-C1094 HydrophobicContact CZ-CB 3.5Å; F1010-C1094 VanDerWaalsContact CZ-CB 3.44Å |
| 1011 | V | 87 | Confident | 74 | Confident | 75.8 Ų | 75.8 | 81.6 Ų | 81.6 | 46% | 0.459 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -39.3 | 172.4 | -175.1 | 0 | 0 | 0 | 0 | 110.1 | I1009 R1031 E1033 | I1009-V1011 PolarHBondContact O-N 3.16Å; V1011-R1031 HydrophobicContact CB-CB 4.36Å; V1011-R1031 PolarHBondContact N-O 3.02Å; V1011-E1033 HydrophobicContact CG2-CB 3.61Å; V1011-E1033 VanDerWaalsContact CG2-CD 3.48Å; V1011-E1033 HydrophobicContact CG2-CG 3.5Å; V1011-E1033 VanDerWaalsContact CG2-CG 3.45Å |
| 1012 | Q | 88.2 | Confident | 76.3 | Confident | 64.8 Ų | 64.8 | 76.6 Ų | 76.6 | 30% | 0.303 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 107.3 | 170.6 | -175.2 | 179.9 | -16.4 | 0 | 0 | 106.9 | E1029 C1030 R1031 | Q1012-E1029 PolarHBondContact NE2-OE1 2.84Å; Q1012-C1030 CarbonylContact O-C 3.58Å; Q1012-C1030 VanDerWaalsContact O-CA 3.26Å; Q1012-C1030 WeakPolarHBondContact O-CA 3.32Å; Q1012-C1030 WeakPolarHBondContact O-CB 3.36Å; Q1012-R1031 HydrophobicContact CB-CB 3.8Å; Q1012-R1031 HydrophobicContact CB-CG 4.14Å; Q1012-R1031 PolarHBondContact N-O 3.04Å; Q1012-R1031 VanDerWaalsContact N-O 3.13Å; Q1012-R1031 PolarHBondContact O-N 3.06Å |
| 1013 | P | 87.7 | Confident | 78.5 | Confident | 76.4 Ų | 76.4 | 74.7 Ų | 74.7 | 50% | 0.496 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -69 | 163.9 | 174.5 | 30.4 | -34.6 | 0 | 0 | 0 | 110.9 | F1010 C1094 | F1010-P1013 HydrophobicContact CB-CB 4.49Å; P1013-C1094 VanDerWaalsContact CB-SG 3.55Å; P1013-C1094 WeakPolarHBondContact CB-SG 3.36Å |
| 1014 | L | 87.5 | Confident | 80.3 | Confident | 9 Ų | 9 | 73.8 Ų | 73.8 | 5% | 0.047 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 145.1 | 172 | -59.1 | 178.2 | 0 | 0 | 0 | 111.2 | Q1016 F1028 E1029 C1030 W1044 C1083 C1094 A1096 | L1014-Q1016 PolarHBondContact O-N 3.49Å; L1014-F1028 HydrophobicContact CD2-CB 4.19Å; L1014-E1029 WeakPolarHBondContact CD2-O 3.33Å; L1014-C1030 HydrophobicContact CD2-CB 3.64Å; L1014-C1030 HydrophobicContact CG-CB 4.21Å; L1014-W1044 HydrophobicContact CD1-CH2 4.08Å; L1014-W1044 HydrophobicContact CD1-CZ3 3.79Å; L1014-W1044 HydrophobicContact CD2-CH2 3.58Å; L1014-W1044 HydrophobicContact CD2-CZ3 4.16Å; L1014-W1044 HydrophobicContact CG-CH2 4.48Å; L1014-C1083 HydrophobicContact CD1-CB 4.1Å; L1014-C1083 HydrophobicContact CD2-CB 4.5Å; L1014-C1083 HydrophobicContact CG-CB 4.49Å; L1014-C1094 VanDerWaalsContact CD1-O 3.24Å; L1014-C1094 WeakPolarHBondContact CD1-O 3.31Å; L1014-C1094 HydrophobicContact CG-CB 4.43Å; L1014-C1094 PolarHBondContact N-SG 2.96Å; L1014-A1096 HydrophobicContact CB-CB 3.76Å; L1014-A1096 HydrophobicContact CD1-CB 3.72Å; L1014-A1096 HydrophobicContact CG-CB 4.39Å |
| 1015 | E | 78.5 | Confident | 82 | Confident | 147.8 Ų | 147.8 | 73.4 Ų | 73.4 | 69% | 0.691 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 144.8 | 169.9 | -65 | -159 | 154.9 | 0 | 0 | 111.4 | A1017 A1096 | E1015-A1017 VanDerWaalsContact C-N 3.33Å; E1015-A1017 PolarHBondContact O-N 2.91Å; E1015-A1096 VanDerWaalsContact O-CB 3.27Å; E1015-A1096 WeakPolarHBondContact O-CB 3.32Å |
| 1016 | Q | 68.9 | Low | 83.4 | Confident | 177.4 Ų | 177.4 | 69.4 Ų | 69.4 | 83% | 0.829 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -80.3 | 101 | -170.3 | -67.4 | -175.4 | -6.1 | 0 | 0 | 113 | L1014 A1097 | L1014-Q1016 PolarHBondContact O-N 3.49Å; Q1016-A1097 PolarHBondContact O-N 3.12Å; Q1016-A1097 VanDerWaalsContact O-N 3.15Å |
| 1017 | A | 69.4 | Low | 84 | Confident | 72.2 Ų | 72.2 | 65.1 Ų | 65.1 | 60% | 0.597 | 37% | 0.371 | S | S | * | . | trans | 96.9 | 97.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1015 A1019 A1097 | E1015-A1017 VanDerWaalsContact C-N 3.33Å; E1015-A1017 PolarHBondContact O-N 2.91Å; A1017-A1019 PolarHBondContact O-N 2.92Å; A1017-A1097 CarbonylContact C-O 3.54Å; A1017-A1097 VanDerWaalsContact CA-O 3.29Å; A1017-A1097 WeakPolarHBondContact CA-O 3.36Å | ||
| 1018 | V | 76.3 | Confident | 84.4 | Confident | 30.2 Ų | 30.2 | 63.2 Ų | 63.2 | 18% | 0.183 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 124.8 | 167 | 179.7 | 0 | 0 | 0 | 0 | 108 | V1020 A1026 F1028 A1097 L1098 Q1099 | V1018-V1020 HydrophobicContact CG1-CG1 4Å; V1018-A1026 HydrophobicContact CG1-CB 4.11Å; V1018-F1028 HydrophobicContact CB-CE1 4.28Å; V1018-F1028 HydrophobicContact CB-CZ 4.32Å; V1018-F1028 HydrophobicContact CG2-CD1 4.2Å; V1018-F1028 HydrophobicContact CG2-CE1 3.72Å; V1018-F1028 HydrophobicContact CG2-CZ 4.22Å; V1018-A1097 PolarHBondContact N-O 3.15Å; V1018-L1098 HydrophobicContact CB-CD1 3.77Å; V1018-L1098 HydrophobicContact CG1-CD1 3.71Å; V1018-L1098 CarbonylContact O-C 3.59Å; V1018-L1098 WeakPolarHBondContact O-CA 3.33Å; V1018-L1098 WeakPolarHBondContact O-CD1 3.24Å; V1018-Q1099 PolarHBondContact O-N 2.91Å |
| 1019 | A | 83.7 | Confident | 84.6 | Confident | 82.4 Ų | 82.4 | 65.9 Ų | 65.9 | 68% | 0.681 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 120.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | A1017 Q1099 | A1017-A1019 PolarHBondContact O-N 2.92Å; A1019-Q1099 WeakPolarHBondContact CA-O 3.39Å |
| 1020 | V | 85.2 | Confident | 84.6 | Confident | 13.6 Ų | 13.6 | 61.8 Ų | 61.8 | 8% | 0.082 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 153.6 | -175 | -74.6 | 0 | 0 | 0 | 0 | 109.7 | V1018 E1024 A1026 C1073 L1098 Q1099 V1100 A1101 | V1018-V1020 HydrophobicContact CG1-CG1 4Å; V1020-E1024 HydrophobicContact CB-CB 4.16Å; V1020-E1024 HydrophobicContact CG1-CB 4.12Å; V1020-A1026 HydrophobicContact CG1-CB 4.28Å; V1020-A1026 HydrophobicContact CG2-CB 4.35Å; V1020-C1073 HydrophobicContact CG2-CB 3.95Å; V1020-L1098 HydrophobicContact CG2-CD1 3.82Å; V1020-L1098 HydrophobicContact CG2-CG 4.46Å; V1020-Q1099 PolarHBondContact N-O 2.91Å; V1020-Q1099 VanDerWaalsContact N-O 3.11Å; V1020-V1100 HydrophobicContact CG2-CB 4.41Å; V1020-V1100 HydrophobicContact CG2-CG1 4.43Å; V1020-V1100 HydrophobicContact CG2-CG2 4.01Å; V1020-V1100 CarbonylContact O-C 3.53Å; V1020-V1100 VanDerWaalsContact O-CA 3.27Å; V1020-V1100 WeakPolarHBondContact O-CA 3.33Å; V1020-A1101 PolarHBondContact O-N 2.88Å |
| 1021 | N | 84 | Confident | 84.6 | Confident | 86.6 Ų | 86.6 | 65.8 Ų | 65.8 | 46% | 0.463 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 156.4 | 170.7 | -56.1 | -63.6 | 0 | 0 | 0 | 110.7 | G1023 E1024 | N1021-G1023 PolarHBondContact O-N 3.21Å; N1021-G1023 VanDerWaalsContact O-N 3.15Å; N1021-E1024 HydrophobicContact CB-CG 4.18Å; N1021-E1024 PolarHBondContact N-OE2 3.02Å; N1021-E1024 VanDerWaalsContact ND2-CD 3.32Å; N1021-E1024 PolarHBondContact ND2-OE1 3.05Å; N1021-E1024 VanDerWaalsContact ND2-OE1 3.14Å; N1021-E1024 PolarHBondContact ND2-OE2 2.88Å; N1021-E1024 VanDerWaalsContact ND2-OE2 3.12Å; N1021-E1024 WeakPolarHBondContact O-CB 3.35Å; N1021-E1024 PolarHBondContact O-N 3.07Å |
| 1022 | E | 84.1 | Confident | 84.9 | Confident | 64 Ų | 64 | 62.3 Ų | 62.3 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 123.3 | 171.8 | -179.4 | 176.8 | 174.6 | 0 | 0 | 111.8 | C1073 P1075 V1100 A1101 A1102 K1103 | E1022-C1073 CarbonylContact C-O 3.55Å; E1022-C1073 WeakPolarHBondContact CA-O 3.33Å; E1022-P1075 HydrophobicContact CG-CG 4.38Å; E1022-P1075 WeakPolarHBondContact OE1-CD 3.28Å; E1022-P1075 WeakPolarHBondContact OE1-CG 3.49Å; E1022-P1075 WeakPolarHBondContact OE2-CG 3.36Å; E1022-V1100 HydrophobicContact CB-CG1 4.35Å; E1022-A1101 PolarHBondContact N-O 2.92Å; E1022-A1101 VanDerWaalsContact N-O 3.12Å; E1022-A1102 WeakPolarHBondContact OE2-CA 3.47Å; E1022-K1103 HydrophobicContact CB-CB 4.34Å; E1022-K1103 HydrophobicContact CB-CD 4.46Å; E1022-K1103 HydrophobicContact CB-CG 4.37Å; E1022-K1103 PolarHBondContact O-NZ 2.68Å; E1022-K1103 WeakPolarHBondContact OE2-CB 3.36Å; E1022-K1103 PolarHBondContact OE2-N 2.97Å |
| 1023 | G | 79.6 | Confident | 84.8 | Confident | 43.2 Ų | 43.2 | 63.8 Ų | 63.8 | 45% | 0.445 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.5 | -12.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | N1021 H1072 C1073 | N1021-G1023 PolarHBondContact O-N 3.21Å; N1021-G1023 VanDerWaalsContact O-N 3.15Å; G1023-H1072 WeakPolarHBondContact O-CA 3.34Å; G1023-H1072 PolarHBondContact O-ND1 2.85Å; G1023-C1073 PolarHBondContact N-O 3.05Å |
| 1024 | E | 84.9 | Confident | 84.6 | Confident | 87 Ų | 87 | 61.7 Ų | 61.7 | 41% | 0.407 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -78.2 | 165.7 | 176.8 | -69.2 | 176.8 | 175.9 | 0 | 0 | 112.3 | V1020 N1021 C1073 | V1020-E1024 HydrophobicContact CB-CB 4.16Å; V1020-E1024 HydrophobicContact CG1-CB 4.12Å; N1021-E1024 HydrophobicContact CB-CG 4.18Å; N1021-E1024 PolarHBondContact N-OE2 3.02Å; N1021-E1024 VanDerWaalsContact ND2-CD 3.32Å; N1021-E1024 PolarHBondContact ND2-OE1 3.05Å; N1021-E1024 VanDerWaalsContact ND2-OE1 3.14Å; N1021-E1024 PolarHBondContact ND2-OE2 2.88Å; N1021-E1024 VanDerWaalsContact ND2-OE2 3.12Å; N1021-E1024 WeakPolarHBondContact O-CB 3.35Å; N1021-E1024 PolarHBondContact O-N 3.07Å; E1024-C1073 WeakPolarHBondContact O-CB 3.34Å; E1024-C1073 PolarHBondContact O-N 2.82Å; E1024-C1073 PolarHBondContact O-SG 3.03Å; E1024-C1073 VanDerWaalsContact O-SG 3.36Å |
| 1025 | L | 88 | Confident | 84.3 | Confident | 88.8 Ų | 88.8 | 63.9 Ų | 63.9 | 47% | 0.465 | 35% | 0.346 | S | S | . | . | trans | -88.7 | 132.6 | 176.7 | 179.6 | 150.5 | 0 | 0 | 0 | 110.5 | H1027 I1070 L1071 | L1025-H1027 HydrophobicContact CD2-CB 4.19Å; L1025-I1070 CarbonylContact C-O 3.56Å; L1025-I1070 VanDerWaalsContact CA-O 3.25Å; L1025-I1070 WeakPolarHBondContact CA-O 3.34Å; L1025-I1070 WeakPolarHBondContact CG-O 3.11Å; L1025-L1071 HydrophobicContact CD1-CD2 4Å | ||
| 1026 | A | 88.6 | Confident | 83.9 | Confident | 0.6 Ų | 0.6 | 62.6 Ų | 62.6 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 135.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V1018 V1020 F1028 D1069 I1070 C1073 L1098 | V1018-A1026 HydrophobicContact CG1-CB 4.11Å; V1020-A1026 HydrophobicContact CG1-CB 4.28Å; V1020-A1026 HydrophobicContact CG2-CB 4.35Å; A1026-F1028 HydrophobicContact CB-CE2 4.36Å; A1026-D1069 CarbonylContact O-C 3.56Å; A1026-D1069 WeakPolarHBondContact O-CA 3.35Å; A1026-I1070 HydrophobicContact CB-CB 4.29Å; A1026-I1070 HydrophobicContact CB-CD1 4.37Å; A1026-I1070 HydrophobicContact CB-CG1 4.43Å; A1026-I1070 PolarHBondContact N-O 3.13Å; A1026-I1070 VanDerWaalsContact N-O 3.13Å; A1026-I1070 PolarHBondContact O-N 3.29Å; A1026-C1073 WeakPolarHBondContact CB-SG 3.32Å; A1026-C1073 PolarHBondContact N-SG 3.11Å; A1026-L1098 HydrophobicContact CB-CD1 3.67Å; A1026-L1098 HydrophobicContact CB-CD2 4.32Å |
| 1027 | H | 90.6 | Very high | 84.4 | Confident | 75.6 Ų | 75.6 | 54.7 Ų | 54.7 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 133.2 | 178.8 | -178.2 | 77.9 | 0 | 0 | 0 | 110.1 | L1025 E1029 L1068 D1069 | L1025-H1027 HydrophobicContact CD2-CB 4.19Å; H1027-E1029 IonicContact NE2-OE2 2.77Å; H1027-E1029 PolarHBondContact NE2-OE2 2.78Å; H1027-L1068 CarbonylContact C-O 3.54Å; H1027-D1069 IonicContact CE1-OD1 3.28Å; H1027-D1069 IonicContact CE1-OD2 3.25Å; H1027-D1069 IonicContact CG-OD1 3.23Å; H1027-D1069 VanDerWaalsContact ND1-CG 3.33Å; H1027-D1069 IonicContact ND1-OD1 3.11Å; H1027-D1069 PolarHBondContact ND1-OD1 2.97Å; H1027-D1069 IonicContact ND1-OD2 3.44Å |
| 1028 | F | 91.3 | Very high | 84.7 | Confident | 5 Ų | 5 | 56.7 Ų | 56.7 | 2% | 0.022 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 129.2 | 172.6 | -65.4 | -79.6 | 0 | 0 | 0 | 109.5 | L1014 V1018 A1026 W1044 T1067 L1068 I1070 W1081 A1096 L1098 | L1014-F1028 HydrophobicContact CD2-CB 4.19Å; V1018-F1028 HydrophobicContact CB-CE1 4.28Å; V1018-F1028 HydrophobicContact CB-CZ 4.32Å; V1018-F1028 HydrophobicContact CG2-CD1 4.2Å; V1018-F1028 HydrophobicContact CG2-CE1 3.72Å; V1018-F1028 HydrophobicContact CG2-CZ 4.22Å; A1026-F1028 HydrophobicContact CB-CE2 4.36Å; F1028-W1044 HydrophobicContact CB-CH2 3.56Å; F1028-W1044 VanDerWaalsContact CB-CH2 3.5Å; F1028-W1044 HydrophobicContact CB-CZ2 4.46Å; F1028-W1044 HydrophobicContact CB-CZ3 3.99Å; F1028-W1044 HydrophobicContact CG-CH2 4.42Å; F1028-W1044 HydrophobicContact CG-CZ3 4.37Å; F1028-T1067 CarbonylContact O-C 3.55Å; F1028-T1067 WeakPolarHBondContact O-CA 3.39Å; F1028-T1067 VanDerWaalsContact O-CB 3.26Å; F1028-T1067 WeakPolarHBondContact O-CB 3.37Å; F1028-L1068 HydrophobicContact CB-CB 4.32Å; F1028-L1068 HydrophobicContact CD2-CB 4.44Å; F1028-L1068 HydrophobicContact CD2-CD2 4.07Å; F1028-L1068 HydrophobicContact CD2-CG 4.29Å; F1028-L1068 HydrophobicContact CE2-CD2 4.46Å; F1028-L1068 PolarHBondContact N-O 2.9Å; F1028-L1068 PolarHBondContact O-N 3.2Å; F1028-I1070 HydrophobicContact CE2-CD1 4.13Å; F1028-W1081 HydrophobicContact CE1-CB 4.4Å; F1028-W1081 HydrophobicContact CE2-CB 4.33Å; F1028-W1081 HydrophobicContact CE2-CD2 4.37Å; F1028-W1081 AromaticContact CE2-CG 3.95Å; F1028-W1081 HydrophobicContact CE2-CG 4Å; F1028-W1081 HydrophobicContact CZ-CB 4.14Å; F1028-W1081 AromaticContact CZ-CD1 3.93Å; F1028-W1081 AromaticContact CZ-CG 3.96Å; F1028-W1081 HydrophobicContact CZ-CG 4.02Å; F1028-A1096 HydrophobicContact CD1-CB 3.96Å; F1028-A1096 HydrophobicContact CE1-CB 3.76Å; F1028-L1098 HydrophobicContact CE2-CD1 4.39Å; F1028-L1098 HydrophobicContact CE2-CD2 4.45Å; F1028-L1098 HydrophobicContact CZ-CB 4.03Å; F1028-L1098 HydrophobicContact CZ-CD1 4.06Å; F1028-L1098 HydrophobicContact CZ-CD2 4.46Å; F1028-L1098 HydrophobicContact CZ-CG 4.43Å |
| 1029 | E | 91.2 | Very high | 84.9 | Confident | 58.6 Ų | 58.6 | 57.3 Ų | 57.3 | 27% | 0.274 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 140.5 | 174.1 | 71.7 | 165.7 | -145.5 | 0 | 0 | 111.9 | R75 Q1012 L1014 H1027 R1031 F1065 V1066 T1067 | R75-E1029 IonicContact NH1-OE2 3.91Å; R75-E1029 PolarHBondContact NH1-OE2 2.69Å; Q1012-E1029 PolarHBondContact NE2-OE1 2.84Å; L1014-E1029 WeakPolarHBondContact CD2-O 3.33Å; H1027-E1029 IonicContact NE2-OE2 2.77Å; H1027-E1029 PolarHBondContact NE2-OE2 2.78Å; E1029-R1031 IonicContact OE1-CZ 2.75Å; E1029-R1031 IonicContact OE1-NE 3.73Å; E1029-R1031 PolarHBondContact OE1-NE 3.08Å; E1029-R1031 IonicContact OE1-NH2 3.41Å; E1029-R1031 PolarHBondContact OE1-NH2 3.12Å; E1029-F1065 HydrophobicContact CB-CE2 4.24Å; E1029-F1065 HydrophobicContact CB-CZ 4.17Å; E1029-F1065 HydrophobicContact CG-CD1 4.5Å; E1029-F1065 VanDerWaalsContact OE1-CD1 3.31Å; E1029-F1065 WeakPolarHBondContact OE1-CD1 3.41Å; E1029-F1065 WeakPolarHBondContact OE1-CE1 3.17Å; E1029-F1065 WeakPolarHBondContact OE2-CE2 3.32Å; E1029-F1065 WeakPolarHBondContact OE2-CZ 3.42Å; E1029-V1066 CarbonylContact C-O 3.5Å; E1029-V1066 WeakPolarHBondContact CA-O 3.37Å; E1029-T1067 HydrophobicContact CB-CG2 4.1Å |
| 1030 | C | 91.8 | Very high | 85 | Confident | 0.4 Ų | 0.4 | 54.9 Ų | 54.9 | 0% | 0.003 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 165.9 | 167.3 | 54.7 | 0 | 0 | 0 | 0 | 111.2 | F1010 Q1012 L1014 V1066 C1083 | F1010-C1030 HydrophobicContact CD1-CB 4.09Å; F1010-C1030 HydrophobicContact CE1-CB 4.33Å; Q1012-C1030 CarbonylContact O-C 3.58Å; Q1012-C1030 VanDerWaalsContact O-CA 3.26Å; Q1012-C1030 WeakPolarHBondContact O-CA 3.32Å; Q1012-C1030 WeakPolarHBondContact O-CB 3.36Å; L1014-C1030 HydrophobicContact CD2-CB 3.64Å; L1014-C1030 HydrophobicContact CG-CB 4.21Å; C1030-V1066 PolarHBondContact N-O 3.11Å; C1030-V1066 PolarHBondContact O-N 3.16Å; C1030-C1083 VanDerWaalsContact SG-SG 3.69Å |
| 1031 | R | 91 | Very high | 85.1 | Confident | 122.8 Ų | 122.8 | 62.1 Ų | 62.1 | 46% | 0.463 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 141.9 | 173.2 | -64.9 | -176.4 | 178.9 | -173.3 | 0.5 | 111.8 | F1010 V1011 Q1012 E1029 G1064 F1065 | F1010-R1031 CarbonylContact C-O 3.48Å; F1010-R1031 WeakPolarHBondContact CA-O 3.39Å; V1011-R1031 HydrophobicContact CB-CB 4.36Å; V1011-R1031 PolarHBondContact N-O 3.02Å; Q1012-R1031 HydrophobicContact CB-CB 3.8Å; Q1012-R1031 HydrophobicContact CB-CG 4.14Å; Q1012-R1031 PolarHBondContact N-O 3.04Å; Q1012-R1031 VanDerWaalsContact N-O 3.13Å; Q1012-R1031 PolarHBondContact O-N 3.06Å; E1029-R1031 IonicContact OE1-CZ 2.75Å; E1029-R1031 IonicContact OE1-NE 3.73Å; E1029-R1031 PolarHBondContact OE1-NE 3.08Å; E1029-R1031 IonicContact OE1-NH2 3.41Å; E1029-R1031 PolarHBondContact OE1-NH2 3.12Å; R1031-G1064 CarbonylContact C-O 3.53Å; R1031-G1064 VanDerWaalsContact CA-O 3.26Å; R1031-G1064 WeakPolarHBondContact CA-O 3.38Å; R1031-F1065 HydrophobicContact CG-CD1 4.4Å; R1031-F1065 HydrophobicContact CG-CD2 3.95Å; R1031-F1065 HydrophobicContact CG-CE2 4.47Å; R1031-F1065 HydrophobicContact CG-CG 4.39Å; R1031-F1065 VanDerWaalsContact NE-CZ 3.33Å; R1031-F1065 VanDerWaalsContact NH2-CE1 3.28Å |
| 1032 | V | 91.6 | Very high | 85.4 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 144.6 | -171.6 | -55.7 | 0 | 0 | 0 | 0 | 112.3 | I1009 F1010 L1040 G1064 V1066 I1085 | I1009-V1032 CarbonylContact O-C 3.51Å; I1009-V1032 VanDerWaalsContact O-CA 3.25Å; I1009-V1032 WeakPolarHBondContact O-CA 3.35Å; F1010-V1032 HydrophobicContact CD1-CG1 3.63Å; F1010-V1032 HydrophobicContact CE1-CG1 3.72Å; F1010-V1032 HydrophobicContact CG-CG1 4.42Å; V1032-L1040 HydrophobicContact CG2-CD2 3.89Å; V1032-G1064 WeakPolarHBondContact CG2-O 3.42Å; V1032-G1064 PolarHBondContact N-O 3.07Å; V1032-G1064 WeakPolarHBondContact O-CA 3.38Å; V1032-V1066 HydrophobicContact CG1-CG2 4.41Å; V1032-V1066 HydrophobicContact CG2-CG2 4.05Å; V1032-I1085 HydrophobicContact CB-CD1 3.83Å; V1032-I1085 HydrophobicContact CB-CG2 4.49Å; V1032-I1085 HydrophobicContact CG1-CD1 3.53Å; V1032-I1085 VanDerWaalsContact CG1-CD1 3.46Å; V1032-I1085 HydrophobicContact CG1-CG2 3.93Å |
| 1033 | E | 86.1 | Confident | 85.7 | Confident | 96.2 Ų | 96.2 | 59.6 Ų | 59.6 | 45% | 0.45 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 148.8 | 173.8 | -91.8 | 175 | -157.2 | 0 | 0 | 109.6 | P1008 I1009 V1011 T1035 | P1008-E1033 CarbonylContact C-O 3.52Å; P1008-E1033 VanDerWaalsContact CA-O 3.26Å; P1008-E1033 WeakPolarHBondContact CA-O 3.44Å; I1009-E1033 HydrophobicContact CD1-CB 4.43Å; I1009-E1033 HydrophobicContact CG1-CB 4Å; I1009-E1033 WeakPolarHBondContact CG1-O 3.28Å; I1009-E1033 PolarHBondContact N-O 2.9Å; I1009-E1033 PolarHBondContact O-N 3.08Å; V1011-E1033 HydrophobicContact CG2-CB 3.61Å; V1011-E1033 VanDerWaalsContact CG2-CD 3.48Å; V1011-E1033 HydrophobicContact CG2-CG 3.5Å; V1011-E1033 VanDerWaalsContact CG2-CG 3.45Å; E1033-T1035 HydrophobicContact CB-CG2 4.47Å; E1033-T1035 HydrophobicContact CG-CG2 4.2Å |
| 1034 | P | 84.7 | Confident | 86.3 | Confident | 32.4 Ų | 32.4 | 58 Ų | 58 | 21% | 0.21 | 29% | 0.288 | C | S | . | . | cis | -71.4 | 144.4 | -3.2 | 29.6 | -35.6 | 0 | 0 | 0 | 113.1 | N1036 D1037 | P1034-N1036 VanDerWaalsContact C-N 3.29Å; P1034-N1036 PolarHBondContact O-N 3Å; P1034-D1037 HydrophobicContact CB-CB 4.29Å; P1034-D1037 HydrophobicContact CG-CB 3.66Å | ||
| 1035 | T | 80.6 | Confident | 86.6 | Confident | 56 Ų | 56 | 54.7 Ų | 54.7 | 34% | 0.344 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -24.9 | -174.4 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | E1033 F1063 | E1033-T1035 HydrophobicContact CB-CG2 4.47Å; E1033-T1035 HydrophobicContact CG-CG2 4.2Å; T1035-F1063 VanDerWaalsContact CG2-O 3.29Å; T1035-F1063 WeakPolarHBondContact CG2-O 3.2Å |
| 1036 | N | 70.2 | Confident | 86.6 | Confident | 118.8 Ų | 118.8 | 52.2 Ų | 52.2 | 64% | 0.635 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | 33.5 | -175.7 | -50.2 | -15 | 0 | 0 | 0 | 111.1 | P1034 P1038 | P1034-N1036 VanDerWaalsContact C-N 3.29Å; P1034-N1036 PolarHBondContact O-N 3Å; N1036-P1038 WeakPolarHBondContact O-CD 3.21Å |
| 1037 | D | 79.3 | Confident | 86.6 | Confident | 13.2 Ų | 13.2 | 56.3 Ų | 56.3 | 7% | 0.071 | 28% | 0.281 | C | S | . | . | trans | -92.2 | 112.7 | 173 | -178.7 | -8.7 | 0 | 0 | 0 | 109.7 | I1005 P1034 D1039 L1040 N1087 | I1005-D1037 VanDerWaalsContact CG2-OD2 3.28Å; I1005-D1037 WeakPolarHBondContact CG2-OD2 3.37Å; P1034-D1037 HydrophobicContact CB-CB 4.29Å; P1034-D1037 HydrophobicContact CG-CB 3.66Å; D1037-D1039 PolarHBondContact O-N 3.01Å; D1037-D1039 VanDerWaalsContact O-N 3.14Å; D1037-D1039 WeakPolarHBondContact OD1-CA 3.18Å; D1037-D1039 WeakPolarHBondContact OD1-CB 3.38Å; D1037-D1039 PolarHBondContact OD1-N 2.97Å; D1037-L1040 HydrophobicContact CB-CB 4.23Å; D1037-L1040 VanDerWaalsContact O-CB 3.25Å; D1037-L1040 WeakPolarHBondContact O-CB 3.3Å; D1037-L1040 PolarHBondContact O-N 3.1Å; D1037-N1087 VanDerWaalsContact OD2-CB 3.27Å; D1037-N1087 WeakPolarHBondContact OD2-CB 3.29Å; D1037-N1087 VanDerWaalsContact OD2-CG 3.27Å; D1037-N1087 PolarHBondContact OD2-ND2 3.16Å | ||
| 1038 | P | 76.1 | Confident | 86.3 | Confident | 113.6 Ų | 113.6 | 55.6 Ų | 55.6 | 74% | 0.738 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -10.8 | -178.4 | 29.6 | -35.5 | 0 | 0 | 0 | 113.5 | K953 N1036 R1041 | K953-P1038 PolarHBondContact NZ-O 2.84Å; N1036-P1038 WeakPolarHBondContact O-CD 3.21Å; P1038-R1041 PolarHBondContact O-NH1 3.49Å |
| 1039 | D | 79.8 | Confident | 86 | Confident | 41.8 Ų | 41.8 | 63 Ų | 63 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -0.1 | 173.8 | -62.4 | -67 | 0 | 0 | 0 | 113.2 | D1037 R1041 N1087 K1088 | D1037-D1039 PolarHBondContact O-N 3.01Å; D1037-D1039 VanDerWaalsContact O-N 3.14Å; D1037-D1039 WeakPolarHBondContact OD1-CA 3.18Å; D1037-D1039 WeakPolarHBondContact OD1-CB 3.38Å; D1037-D1039 PolarHBondContact OD1-N 2.97Å; D1039-R1041 PolarHBondContact O-N 3.16Å; D1039-N1087 HydrophobicContact CB-CB 4.41Å; D1039-N1087 WeakPolarHBondContact O-CA 3.22Å; D1039-K1088 HydrophobicContact CB-CD 4.41Å; D1039-K1088 HydrophobicContact CB-CG 4.01Å; D1039-K1088 VanDerWaalsContact CG-CE 3.42Å; D1039-K1088 VanDerWaalsContact OD1-CE 3.31Å; D1039-K1088 WeakPolarHBondContact OD1-CE 3.4Å; D1039-K1088 IonicContact OD1-NZ 3.8Å; D1039-K1088 PolarHBondContact OD1-NZ 3.02Å; D1039-K1088 VanDerWaalsContact OD1-NZ 3.09Å; D1039-K1088 VanDerWaalsContact OD2-CD 3.23Å; D1039-K1088 WeakPolarHBondContact OD2-CD 3.37Å; D1039-K1088 VanDerWaalsContact OD2-CE 3.26Å; D1039-K1088 WeakPolarHBondContact OD2-CE 3.31Å; D1039-K1088 IonicContact OD2-NZ 3.25Å; D1039-K1088 PolarHBondContact OD2-NZ 3.09Å |
| 1040 | L | 86 | Confident | 85.7 | Confident | 32 Ų | 32 | 63.8 Ų | 63.8 | 17% | 0.168 | 33% | 0.331 | C | S | . | . | trans | -66.1 | 122.1 | 177.2 | -173.2 | 70.9 | 0 | 0 | 0 | 110.6 | P1008 V1032 D1037 I1085 S1086 | P1008-L1040 HydrophobicContact CB-CD1 3.77Å; P1008-L1040 HydrophobicContact CG-CD1 4.45Å; V1032-L1040 HydrophobicContact CG2-CD2 3.89Å; D1037-L1040 HydrophobicContact CB-CB 4.23Å; D1037-L1040 VanDerWaalsContact O-CB 3.25Å; D1037-L1040 WeakPolarHBondContact O-CB 3.3Å; D1037-L1040 PolarHBondContact O-N 3.1Å; L1040-I1085 HydrophobicContact CD1-CB 4.39Å; L1040-S1086 CarbonylContact C-O 3.54Å; L1040-S1086 VanDerWaalsContact CA-O 3.31Å; L1040-S1086 WeakPolarHBondContact CA-O 3.36Å | ||
| 1041 | R | 87 | Confident | 85.3 | Confident | 165.8 Ų | 165.8 | 65.4 Ų | 65.4 | 63% | 0.626 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 139.6 | 175.2 | -61.1 | -164.4 | -179.1 | -120.3 | -1.3 | 110 | P1038 D1039 I1085 S1086 | P1038-R1041 PolarHBondContact O-NH1 3.49Å; D1039-R1041 PolarHBondContact O-N 3.16Å; R1041-I1085 CarbonylContact O-C 3.52Å; R1041-I1085 VanDerWaalsContact O-CA 3.26Å; R1041-I1085 WeakPolarHBondContact O-CA 3.35Å; R1041-S1086 PolarHBondContact N-O 3Å; R1041-S1086 PolarHBondContact O-N 2.99Å |
| 1042 | V | 90.6 | Very high | 84.1 | Confident | 35 Ų | 35 | 65.7 Ų | 65.7 | 21% | 0.212 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.8 | 176.6 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | H1061 V1066 Q1084 I1085 | V1042-H1061 HydrophobicContact CB-CB 4.39Å; V1042-H1061 HydrophobicContact CG2-CB 3.9Å; V1042-V1066 HydrophobicContact CB-CG1 4.47Å; V1042-V1066 HydrophobicContact CG1-CB 4.44Å; V1042-V1066 HydrophobicContact CG1-CG1 3.52Å; V1042-V1066 VanDerWaalsContact CG1-CG1 3.45Å; V1042-V1066 HydrophobicContact CG1-CG2 4.27Å; V1042-V1066 HydrophobicContact CG2-CG1 4.38Å; V1042-V1066 HydrophobicContact CG2-CG2 3.79Å; V1042-Q1084 CarbonylContact C-O 3.55Å; V1042-Q1084 WeakPolarHBondContact CA-O 3.21Å; V1042-I1085 HydrophobicContact CG2-CG2 4.12Å |
| 1043 | L | 90.7 | Very high | 82.6 | Confident | 62.8 Ų | 62.8 | 72.7 Ų | 72.7 | 33% | 0.329 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 121.9 | 176.3 | 179.3 | 68.7 | 0 | 0 | 0 | 109.3 | L1045 P1050 Q1084 | L1043-L1045 HydrophobicContact CD2-CD2 4.01Å; L1043-L1045 HydrophobicContact CD2-CG 4.36Å; L1043-L1045 HydrophobicContact CG-CD2 4.41Å; L1043-L1045 HydrophobicContact CG-CG 4.41Å; L1043-P1050 HydrophobicContact CD1-CB 4Å; L1043-P1050 HydrophobicContact CD2-CB 4.43Å; L1043-P1050 HydrophobicContact CG-CB 4.45Å; L1043-Q1084 HydrophobicContact CB-CB 4.31Å; L1043-Q1084 PolarHBondContact N-O 2.81Å; L1043-Q1084 PolarHBondContact O-N 3.04Å |
| 1044 | W | 91.1 | Very high | 81.5 | Confident | 10.6 Ų | 10.6 | 69.6 Ų | 69.6 | 4% | 0.04 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 135 | 170.1 | -73.9 | 95.4 | 0 | 0 | 0 | 110.2 | L1014 F1028 P1050 L1051 T1059 V1066 T1067 L1068 T1082 C1083 | L1014-W1044 HydrophobicContact CD1-CH2 4.08Å; L1014-W1044 HydrophobicContact CD1-CZ3 3.79Å; L1014-W1044 HydrophobicContact CD2-CH2 3.58Å; L1014-W1044 HydrophobicContact CD2-CZ3 4.16Å; L1014-W1044 HydrophobicContact CG-CH2 4.48Å; F1028-W1044 HydrophobicContact CB-CH2 3.56Å; F1028-W1044 VanDerWaalsContact CB-CH2 3.5Å; F1028-W1044 HydrophobicContact CB-CZ2 4.46Å; F1028-W1044 HydrophobicContact CB-CZ3 3.99Å; F1028-W1044 HydrophobicContact CG-CH2 4.42Å; F1028-W1044 HydrophobicContact CG-CZ3 4.37Å; W1044-P1050 WeakPolarHBondContact O-CA 3.18Å; W1044-L1051 HydrophobicContact CB-CB 3.94Å; W1044-L1051 HydrophobicContact CB-CD2 3.9Å; W1044-L1051 HydrophobicContact CB-CG 4.44Å; W1044-L1051 HydrophobicContact CG-CD2 4.34Å; W1044-L1051 WeakPolarHBondContact O-CB 3.23Å; W1044-L1051 PolarHBondContact O-N 3.08Å; W1044-T1059 VanDerWaalsContact CD1-CG2 3.45Å; W1044-T1059 HydrophobicContact CG-CG2 4.23Å; W1044-V1066 HydrophobicContact CZ2-CG1 3.92Å; W1044-T1067 PolarHBondContact NE1-O 3.02Å; W1044-L1068 HydrophobicContact CD2-CB 3.78Å; W1044-L1068 HydrophobicContact CD2-CD2 3.86Å; W1044-L1068 HydrophobicContact CD2-CG 4.41Å; W1044-L1068 VanDerWaalsContact CE2-CB 3.45Å; W1044-L1068 HydrophobicContact CE3-CB 4.08Å; W1044-L1068 HydrophobicContact CE3-CD2 3.64Å; W1044-L1068 HydrophobicContact CE3-CG 4.44Å; W1044-L1068 HydrophobicContact CG-CB 4.41Å; W1044-L1068 HydrophobicContact CG-CD2 4.29Å; W1044-L1068 HydrophobicContact CH2-CB 3.79Å; W1044-L1068 HydrophobicContact CZ2-CB 3.49Å; W1044-L1068 VanDerWaalsContact CZ2-CB 3.47Å; W1044-L1068 HydrophobicContact CZ3-CB 4.07Å; W1044-L1068 HydrophobicContact CZ3-CD2 4.03Å; W1044-T1082 CarbonylContact C-O 3.53Å; W1044-C1083 HydrophobicContact CD2-CB 4.4Å; W1044-C1083 HydrophobicContact CE3-CB 4.12Å; W1044-C1083 HydrophobicContact CH2-CB 4.08Å; W1044-C1083 HydrophobicContact CZ2-CB 4.32Å; W1044-C1083 HydrophobicContact CZ3-CB 3.97Å |
| 1045 | L | 91.4 | Very high | 80.9 | Confident | 17 Ų | 17 | 75.2 Ų | 75.2 | 9% | 0.089 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.5 | 178.2 | -59.5 | 152.6 | 0 | 0 | 0 | 109 | L1043 R1049 P1050 W1081 T1082 Q1084 | L1043-L1045 HydrophobicContact CD2-CD2 4.01Å; L1043-L1045 HydrophobicContact CD2-CG 4.36Å; L1043-L1045 HydrophobicContact CG-CD2 4.41Å; L1043-L1045 HydrophobicContact CG-CG 4.41Å; L1045-R1049 CarbonylContact C-O 3.55Å; L1045-R1049 WeakPolarHBondContact CA-O 3.29Å; L1045-P1050 HydrophobicContact CD2-CB 4.36Å; L1045-P1050 HydrophobicContact CD2-CG 4.25Å; L1045-W1081 CarbonylContact O-C 3.54Å; L1045-W1081 VanDerWaalsContact O-CA 3.31Å; L1045-W1081 WeakPolarHBondContact O-CA 3.35Å; L1045-T1082 WeakPolarHBondContact CB-O 3.25Å; L1045-T1082 HydrophobicContact CD1-CG2 4.23Å; L1045-T1082 PolarHBondContact N-O 2.94Å; L1045-T1082 PolarHBondContact O-N 3.19Å; L1045-Q1084 HydrophobicContact CD1-CB 3.89Å |
| 1046 | H | 89.5 | Confident | 81.2 | Confident | 35.8 Ų | 35.8 | 74 Ų | 74 | 17% | 0.166 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.4 | 168.8 | 177.6 | -122.5 | 0 | 0 | 0 | 109.3 | G1048 R1049 E1076 D1077 S1078 W1081 | H1046-G1048 PolarHBondContact O-N 2.89Å; H1046-G1048 VanDerWaalsContact O-N 3.15Å; H1046-R1049 PolarHBondContact N-O 2.94Å; H1046-R1049 WeakPolarHBondContact O-CB 3.33Å; H1046-R1049 PolarHBondContact O-N 2.96Å; H1046-E1076 PolarHBondContact CE1-O 2.96Å; H1046-E1076 VanDerWaalsContact CE1-O 3.24Å; H1046-D1077 VanDerWaalsContact NE2-C 3.34Å; H1046-D1077 PolarHBondContact NE2-O 3Å; H1046-S1078 PolarHBondContact NE2-O 2.97Å; H1046-S1078 VanDerWaalsContact NE2-O 3.07Å; H1046-W1081 HydrophobicContact CB-CD2 4.26Å; H1046-W1081 HydrophobicContact CB-CE3 4.03Å; H1046-W1081 HydrophobicContact CB-CH2 3.89Å; H1046-W1081 HydrophobicContact CB-CZ2 4.09Å; H1046-W1081 HydrophobicContact CB-CZ3 3.85Å; H1046-W1081 AromaticContact CD2-CD1 3.93Å; H1046-W1081 AromaticContact CD2-CD2 3.81Å; H1046-W1081 AromaticContact CD2-CE2 3.25Å; H1046-W1081 AromaticContact CD2-CZ2 3.44Å; H1046-W1081 VanDerWaalsContact CD2-CZ2 3.44Å; H1046-W1081 WeakPolarHBondContact CD2-CZ2 3.33Å; H1046-W1081 AromaticContact CD2-NE1 3.34Å; H1046-W1081 PolarHBondContact CD2-NE1 2.93Å; H1046-W1081 VanDerWaalsContact CD2-NE1 3.28Å; H1046-W1081 AromaticContact CG-CE2 3.87Å; H1046-W1081 AromaticContact CG-CH2 3.85Å; H1046-W1081 AromaticContact CG-CZ2 3.78Å; H1046-W1081 AromaticContact NE2-CE2 3.94Å; H1046-W1081 AromaticContact NE2-CZ2 3.89Å; H1046-W1081 AromaticContact NE2-NE1 3.78Å |
| 1047 | N | 87.2 | Confident | 82.2 | Confident | 87.4 Ų | 87.4 | 70.2 Ų | 70.2 | 47% | 0.467 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 36.5 | -176.1 | -66.5 | -46 | 0 | 0 | 0 | 113.4 | R1049 S1078 G1079 T1080 | N1047-R1049 VanDerWaalsContact C-N 3.29Å; N1047-R1049 PolarHBondContact O-N 2.98Å; N1047-S1078 PolarHBondContact ND2-O 3.05Å; N1047-S1078 VanDerWaalsContact ND2-O 3.15Å; N1047-G1079 VanDerWaalsContact OD1-CA 3.27Å; N1047-G1079 WeakPolarHBondContact OD1-CA 3.4Å; N1047-T1080 PolarHBondContact N-O 3.18Å; N1047-T1080 PolarHBondContact OD1-N 3.16Å |
| 1048 | G | 84.7 | Confident | 82.4 | Confident | 59.4 Ų | 59.4 | 76.9 Ų | 76.9 | 61% | 0.612 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | 4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | H1046 | H1046-G1048 PolarHBondContact O-N 2.89Å; H1046-G1048 VanDerWaalsContact O-N 3.15Å |
| 1049 | R | 84.7 | Confident | 83 | Confident | 162.4 Ų | 162.4 | 74.4 Ų | 74.4 | 61% | 0.613 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 137.8 | 175.9 | -62.6 | 179.7 | 175.7 | -158.1 | 1.7 | 110.8 | Y887 L1045 H1046 N1047 L1051 Y1797 D1827 | Y887-R1049 PolarHBondContact OH-NH1 2.77Å; Y887-R1049 PolarHBondContact OH-NH2 2.97Å; Y887-R1049 VanDerWaalsContact OH-NH2 3.1Å; L1045-R1049 CarbonylContact C-O 3.55Å; L1045-R1049 WeakPolarHBondContact CA-O 3.29Å; H1046-R1049 PolarHBondContact N-O 2.94Å; H1046-R1049 WeakPolarHBondContact O-CB 3.33Å; H1046-R1049 PolarHBondContact O-N 2.96Å; N1047-R1049 VanDerWaalsContact C-N 3.29Å; N1047-R1049 PolarHBondContact O-N 2.98Å; R1049-L1051 PolarHBondContact O-N 2.79Å; R1049-Y1797 PolarHBondContact NH2-OH 3.26Å; R1049-D1827 WeakPolarHBondContact CD-OD1 3.45Å; R1049-D1827 WeakPolarHBondContact CD-OD2 3.47Å; R1049-D1827 VanDerWaalsContact CZ-CG 3.4Å; R1049-D1827 IonicContact CZ-OD1 3.5Å; R1049-D1827 IonicContact CZ-OD2 2.67Å; R1049-D1827 IonicContact NE-OD1 3.36Å; R1049-D1827 IonicContact NE-OD2 3.52Å; R1049-D1827 PolarHBondContact NE-OD2 3.44Å; R1049-D1827 PolarHBondContact NH1-O 2.77Å; R1049-D1827 IonicContact NH1-OD1 3.74Å; R1049-D1827 PolarHBondContact NH1-OD1 2.96Å; R1049-D1827 IonicContact NH1-OD2 3.12Å; R1049-D1827 PolarHBondContact NH2-O 3.36Å |
| 1050 | P | 85.1 | Confident | 83.2 | Confident | 75.4 Ų | 75.4 | 75.1 Ų | 75.1 | 49% | 0.49 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 135.1 | 177.7 | 16.8 | -22.4 | 0 | 0 | 0 | 111.5 | L1043 W1044 L1045 M1052 | L1043-P1050 HydrophobicContact CD1-CB 4Å; L1043-P1050 HydrophobicContact CD2-CB 4.43Å; L1043-P1050 HydrophobicContact CG-CB 4.45Å; W1044-P1050 WeakPolarHBondContact O-CA 3.18Å; L1045-P1050 HydrophobicContact CD2-CB 4.36Å; L1045-P1050 HydrophobicContact CD2-CG 4.25Å; P1050-M1052 PolarHBondContact O-N 3.4Å |
| 1051 | L | 83.7 | Confident | 83.1 | Confident | 33.6 Ų | 33.6 | 79.3 Ų | 79.3 | 18% | 0.176 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 130.3 | 176.4 | -177.5 | 61.4 | 0 | 0 | 0 | 110.2 | W1044 R1049 F1057 T1059 L1068 W1081 | W1044-L1051 HydrophobicContact CB-CB 3.94Å; W1044-L1051 HydrophobicContact CB-CD2 3.9Å; W1044-L1051 HydrophobicContact CB-CG 4.44Å; W1044-L1051 HydrophobicContact CG-CD2 4.34Å; W1044-L1051 WeakPolarHBondContact O-CB 3.23Å; W1044-L1051 PolarHBondContact O-N 3.08Å; R1049-L1051 PolarHBondContact O-N 2.79Å; L1051-F1057 HydrophobicContact CD1-CB 4.43Å; L1051-F1057 HydrophobicContact CD1-CD1 4.04Å; L1051-F1057 HydrophobicContact CD1-CD2 3.75Å; L1051-F1057 HydrophobicContact CD1-CE1 4.2Å; L1051-F1057 HydrophobicContact CD1-CE2 3.92Å; L1051-F1057 HydrophobicContact CD1-CG 3.82Å; L1051-F1057 HydrophobicContact CD1-CZ 4.14Å; L1051-F1057 HydrophobicContact CD2-CB 4.19Å; L1051-F1057 HydrophobicContact CD2-CG 4.36Å; L1051-F1057 HydrophobicContact CG-CB 4.45Å; L1051-F1057 HydrophobicContact CG-CD2 4.43Å; L1051-F1057 HydrophobicContact CG-CG 4.41Å; L1051-T1059 HydrophobicContact CD2-CG2 3.89Å; L1051-L1068 HydrophobicContact CD2-CD1 3.67Å; L1051-L1068 HydrophobicContact CD2-CD2 4.29Å; L1051-W1081 HydrophobicContact CD1-CH2 3.82Å; L1051-W1081 HydrophobicContact CD1-CZ3 3.73Å; L1051-W1081 HydrophobicContact CD2-CZ3 4.17Å; L1051-W1081 HydrophobicContact CG-CZ3 4.38Å |
| 1052 | M | 67 | Low | 82.6 | Confident | 128.4 Ų | 128.4 | 75.6 Ų | 75.6 | 63% | 0.633 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -88.9 | 140.2 | 175 | -60.7 | -159.9 | 142.4 | 0 | 0 | 110 | G884 S885 P1050 G1054 F1854 | G884-M1052 VanDerWaalsContact O-SD 3.4Å; S885-M1052 VanDerWaalsContact CA-SD 3.52Å; S885-M1052 PolarHBondContact N-SD 2.88Å; S885-M1052 VanDerWaalsContact N-SD 3.45Å; P1050-M1052 PolarHBondContact O-N 3.4Å; M1052-G1054 PolarHBondContact O-N 3.09Å; M1052-G1054 VanDerWaalsContact O-N 3.16Å; M1052-F1854 HydrophobicContact CB-CE1 3.53Å; M1052-F1854 HydrophobicContact CB-CZ 3.56Å; M1052-F1854 VanDerWaalsContact O-CE1 3.3Å; M1052-F1854 WeakPolarHBondContact O-CE1 3.22Å |
| 1053 | N | 58.2 | Low | 82.1 | Confident | 148.2 Ų | 148.2 | 80.2 Ų | 80.2 | 79% | 0.793 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 120.8 | 176.5 | -71.2 | -12.2 | 0 | 0 | 0 | 110.2 | F1854 | N1053-F1854 WeakPolarHBondContact O-CZ 3.38Š|
| 1054 | G | 63.9 | Low | 81.6 | Confident | 31.2 Ų | 31.2 | 77.6 Ų | 77.6 | 32% | 0.322 | 40% | 0.399 | S | S | . | . | trans | -155.5 | 153.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | M1052 R1056 F1057 | M1052-G1054 PolarHBondContact O-N 3.09Å; M1052-G1054 VanDerWaalsContact O-N 3.16Å; G1054-R1056 PolarHBondContact O-N 3Å; G1054-R1056 VanDerWaalsContact O-N 3.12Å; G1054-F1057 PolarHBondContact O-N 2.96Å; G1054-F1057 VanDerWaalsContact O-O 3.08Å | ||
| 1055 | H | 72.8 | Confident | 81.4 | Confident | 151.4 Ų | 151.4 | 79.8 Ų | 79.8 | 70% | 0.701 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -24.3 | -173.1 | 73.9 | -84.9 | 0 | 0 | 0 | 114.5 | F1057 L1071 H1072 | H1055-F1057 VanDerWaalsContact C-N 3.31Å; H1055-F1057 PolarHBondContact O-N 2.83Å; H1055-L1071 WeakPolarHBondContact O-CD1 3.38Å; H1055-H1072 AromaticContact NE2-CE1 3.42Å; H1055-H1072 PolarHBondContact NE2-CE1 2.69Å; H1055-H1072 AromaticContact NE2-NE2 3.87Å |
| 1056 | R | 87.3 | Confident | 81.4 | Confident | 31 Ų | 31 | 79.1 Ų | 79.1 | 12% | 0.117 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -24.1 | 176.3 | -56.6 | -160.6 | -60.4 | 111.2 | -3.2 | 113.1 | G1054 I1070 L1071 H1072 E1076 D1077 | G1054-R1056 PolarHBondContact O-N 3Å; G1054-R1056 VanDerWaalsContact O-N 3.12Å; R1056-I1070 CarbonylContact O-C 3.5Å; R1056-I1070 WeakPolarHBondContact O-CA 3.36Å; R1056-L1071 WeakPolarHBondContact CB-O 3.21Å; R1056-L1071 WeakPolarHBondContact O-CB 3.23Å; R1056-L1071 WeakPolarHBondContact O-CG 3.43Å; R1056-L1071 PolarHBondContact O-N 3.1Å; R1056-H1072 WeakPolarHBondContact CD-NE2 3.45Å; R1056-H1072 WeakPolarHBondContact CG-NE2 3.49Å; R1056-H1072 PolarHBondContact NH1-O 2.99Å; R1056-H1072 VanDerWaalsContact NH1-O 3.09Å; R1056-E1076 IonicContact NH2-OE1 3.59Å; R1056-D1077 IonicContact CZ-OD1 3.33Å; R1056-D1077 IonicContact CZ-OD2 3.5Å; R1056-D1077 IonicContact NH1-OD1 3.08Å; R1056-D1077 PolarHBondContact NH1-OD1 3.1Å; R1056-D1077 IonicContact NH1-OD2 3.16Å; R1056-D1077 PolarHBondContact NH1-OD2 2.87Å; R1056-D1077 IonicContact NH2-OD1 3.19Å; R1056-D1077 PolarHBondContact NH2-OD1 3.02Å; R1056-D1077 IonicContact NH2-OD2 3.34Å; R1056-D1077 PolarHBondContact NH2-OD2 2.67Å |
| 1057 | F | 89.4 | Confident | 81.5 | Confident | 39.2 Ų | 39.2 | 77.8 Ų | 77.8 | 17% | 0.172 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 121.8 | -171.7 | -54.3 | -65 | 0 | 0 | 0 | 110.7 | L1051 G1054 H1055 L1068 D1069 I1070 W1081 F1854 | L1051-F1057 HydrophobicContact CD1-CB 4.43Å; L1051-F1057 HydrophobicContact CD1-CD1 4.04Å; L1051-F1057 HydrophobicContact CD1-CD2 3.75Å; L1051-F1057 HydrophobicContact CD1-CE1 4.2Å; L1051-F1057 HydrophobicContact CD1-CE2 3.92Å; L1051-F1057 HydrophobicContact CD1-CG 3.82Å; L1051-F1057 HydrophobicContact CD1-CZ 4.14Å; L1051-F1057 HydrophobicContact CD2-CB 4.19Å; L1051-F1057 HydrophobicContact CD2-CG 4.36Å; L1051-F1057 HydrophobicContact CG-CB 4.45Å; L1051-F1057 HydrophobicContact CG-CD2 4.43Å; L1051-F1057 HydrophobicContact CG-CG 4.41Å; G1054-F1057 PolarHBondContact O-N 2.96Å; G1054-F1057 VanDerWaalsContact O-O 3.08Å; H1055-F1057 VanDerWaalsContact C-N 3.31Å; H1055-F1057 PolarHBondContact O-N 2.83Å; F1057-L1068 HydrophobicContact CB-CD1 4.27Å; F1057-L1068 HydrophobicContact CD1-CD1 4.4Å; F1057-D1069 CarbonylContact C-O 3.49Å; F1057-D1069 WeakPolarHBondContact CA-O 3.35Å; F1057-I1070 HydrophobicContact CD1-CB 4.4Å; F1057-I1070 HydrophobicContact CD1-CG1 3.99Å; F1057-I1070 HydrophobicContact CD1-CG2 4.1Å; F1057-I1070 HydrophobicContact CE1-CB 4.46Å; F1057-I1070 HydrophobicContact CE1-CD1 4.34Å; F1057-I1070 HydrophobicContact CE1-CG1 4.13Å; F1057-I1070 HydrophobicContact CE1-CG2 3.83Å; F1057-W1081 HydrophobicContact CD1-CH2 4.19Å; F1057-W1081 AromaticContact CE1-CH2 3.68Å; F1057-W1081 HydrophobicContact CE1-CH2 3.68Å; F1057-W1081 HydrophobicContact CE1-CZ2 4.25Å; F1057-W1081 HydrophobicContact CZ-CH2 4.29Å; F1057-F1854 HydrophobicContact CE2-CD1 4.16Å; F1057-F1854 HydrophobicContact CE2-CE1 4.47Å |
| 1058 | R | 84.9 | Confident | 81.7 | Confident | 152.2 Ų | 152.2 | 73.6 Ų | 73.6 | 57% | 0.574 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 117.1 | 171.2 | -62.3 | -178.7 | 175.8 | 179 | -1.3 | 109.4 | L1068 D1069 L1071 | R1058-L1068 CarbonylContact O-C 3.57Å; R1058-L1068 VanDerWaalsContact O-CA 3.29Å; R1058-L1068 WeakPolarHBondContact O-CA 3.35Å; R1058-D1069 HydrophobicContact CB-CB 4.24Å; R1058-D1069 PolarHBondContact N-O 3.05Å; R1058-D1069 PolarHBondContact O-N 3.09Å; R1058-L1071 HydrophobicContact CG-CD1 4.47Å |
| 1059 | T | 88.1 | Confident | 82 | Confident | 62 Ų | 62 | 72.2 Ų | 72.2 | 38% | 0.38 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 143.6 | 174.3 | 54.3 | 0 | 0 | 0 | 0 | 110 | R25 W1044 L1051 T1067 L1068 | R25-T1059 WeakPolarHBondContact CD-O 3.33Å; R25-T1059 VanDerWaalsContact NH1-C 3.3Å; R25-T1059 PolarHBondContact NH1-O 2.83Å; R25-T1059 PolarHBondContact NH1-OG1 2.79Å; W1044-T1059 VanDerWaalsContact CD1-CG2 3.45Å; W1044-T1059 HydrophobicContact CG-CG2 4.23Å; L1051-T1059 HydrophobicContact CD2-CG2 3.89Å; T1059-T1067 CarbonylContact C-O 3.47Å; T1059-T1067 VanDerWaalsContact CA-O 3.27Å; T1059-T1067 WeakPolarHBondContact CA-O 3.4Å; T1059-L1068 HydrophobicContact CG2-CB 4.39Å; T1059-L1068 HydrophobicContact CG2-CD1 3.73Å |
| 1060 | T | 83.4 | Confident | 82.3 | Confident | 55.6 Ų | 55.6 | 64.4 Ų | 64.4 | 34% | 0.341 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 146.9 | 169.8 | 75.4 | 0 | 0 | 0 | 0 | 110.1 | R25 V1066 T1067 | R25-T1060 HydrophobicContact CB-CG2 3.18Å; R25-T1060 VanDerWaalsContact CD-CB 3.44Å; R25-T1060 HydrophobicContact CG-CG2 3.79Å; T1060-V1066 CarbonylContact O-C 3.56Å; T1060-V1066 WeakPolarHBondContact O-CA 3.25Å; T1060-T1067 WeakPolarHBondContact CB-OG1 3.2Å; T1060-T1067 WeakPolarHBondContact CG2-OG1 3.26Å; T1060-T1067 PolarHBondContact N-O 3.17Å; T1060-T1067 VanDerWaalsContact N-O 3.17Å; T1060-T1067 PolarHBondContact O-N 2.83Å; T1060-T1067 WeakPolarHBondContact OG1-CB 3.26Å; T1060-T1067 PolarHBondContact OG1-N 3.16Å; T1060-T1067 PolarHBondContact OG1-OG1 3.09Å |
| 1061 | H | 83.7 | Confident | 82.3 | Confident | 120.6 Ų | 120.6 | 62.9 Ų | 62.9 | 56% | 0.558 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 109.2 | 168.5 | 64 | -73.4 | 0 | 0 | 0 | 108.7 | V1042 F1065 V1066 | V1042-H1061 HydrophobicContact CB-CB 4.39Å; V1042-H1061 HydrophobicContact CG2-CB 3.9Å; H1061-F1065 CarbonylContact C-O 3.29Å; H1061-F1065 VanDerWaalsContact CA-O 3.3Å; H1061-F1065 WeakPolarHBondContact CA-O 3.36Å; H1061-V1066 HydrophobicContact CB-CG2 4.07Å |
| 1062 | D | 78 | Confident | 82.3 | Confident | 88.6 Ų | 88.6 | 66 Ų | 66 | 47% | 0.474 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 137 | -179.3 | -165.4 | 14.9 | 0 | 0 | 0 | 110.8 | D23 S24 G1064 F1065 | D23-D1062 WeakPolarHBondContact CA-OD2 3.37Å; S24-D1062 WeakPolarHBondContact CB-OD2 3.24Å; S24-D1062 PolarHBondContact N-OD2 2.8Å; S24-D1062 PolarHBondContact OG-OD2 2.82Å; D1062-G1064 PolarHBondContact O-N 2.9Å; D1062-F1065 PolarHBondContact N-O 2.9Å; D1062-F1065 VanDerWaalsContact N-O 3.13Å; D1062-F1065 WeakPolarHBondContact O-CA 3.42Å; D1062-F1065 VanDerWaalsContact O-CB 3.29Å; D1062-F1065 WeakPolarHBondContact O-CB 3.33Å; D1062-F1065 PolarHBondContact O-N 2.88Å |
| 1063 | F | 79.7 | Confident | 83.3 | Confident | 130.4 Ų | 130.4 | 59.8 Ų | 59.8 | 57% | 0.572 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.6 | 36.1 | -174.2 | -62.7 | -79.5 | 0 | 0 | 0 | 115 | H22 T1035 F1065 | H22-F1063 HydrophobicContact CB-CD2 4.23Å; H22-F1063 HydrophobicContact CB-CE1 4.47Å; H22-F1063 HydrophobicContact CB-CE2 3.43Å; H22-F1063 VanDerWaalsContact CB-CE2 3.43Å; H22-F1063 HydrophobicContact CB-CZ 3.56Å; H22-F1063 AromaticContact CG-CE2 3.8Å; H22-F1063 AromaticContact CG-CZ 3.56Å; H22-F1063 AromaticContact ND1-CE2 3.61Å; H22-F1063 AromaticContact ND1-CZ 3.4Å; H22-F1063 WeakPolarHBondContact ND1-CZ 3.2Å; H22-F1063 WeakPolarHBondContact O-CD2 3.37Å; H22-F1063 WeakPolarHBondContact O-CE2 3.4Å; T1035-F1063 VanDerWaalsContact CG2-O 3.29Å; T1035-F1063 WeakPolarHBondContact CG2-O 3.2Å; F1063-F1065 VanDerWaalsContact C-N 3.29Å; F1063-F1065 PolarHBondContact O-N 2.79Å |
| 1064 | G | 79.6 | Confident | 84.6 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 9% | 0.093 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 3.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | R1031 V1032 D1062 | R1031-G1064 CarbonylContact C-O 3.53Å; R1031-G1064 VanDerWaalsContact CA-O 3.26Å; R1031-G1064 WeakPolarHBondContact CA-O 3.38Å; V1032-G1064 WeakPolarHBondContact CG2-O 3.42Å; V1032-G1064 PolarHBondContact N-O 3.07Å; V1032-G1064 WeakPolarHBondContact O-CA 3.38Å; D1062-G1064 PolarHBondContact O-N 2.9Å |
| 1065 | F | 88.2 | Confident | 85.6 | Confident | 57.8 Ų | 57.8 | 56.1 Ų | 56.1 | 25% | 0.254 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 131.3 | 163.9 | -155 | -113.6 | 0 | 0 | 0 | 109 | E1029 R1031 H1061 D1062 F1063 T1067 | E1029-F1065 HydrophobicContact CB-CE2 4.24Å; E1029-F1065 HydrophobicContact CB-CZ 4.17Å; E1029-F1065 HydrophobicContact CG-CD1 4.5Å; E1029-F1065 VanDerWaalsContact OE1-CD1 3.31Å; E1029-F1065 WeakPolarHBondContact OE1-CD1 3.41Å; E1029-F1065 WeakPolarHBondContact OE1-CE1 3.17Å; E1029-F1065 WeakPolarHBondContact OE2-CE2 3.32Å; E1029-F1065 WeakPolarHBondContact OE2-CZ 3.42Å; R1031-F1065 HydrophobicContact CG-CD1 4.4Å; R1031-F1065 HydrophobicContact CG-CD2 3.95Å; R1031-F1065 HydrophobicContact CG-CE2 4.47Å; R1031-F1065 HydrophobicContact CG-CG 4.39Å; R1031-F1065 VanDerWaalsContact NE-CZ 3.33Å; R1031-F1065 VanDerWaalsContact NH2-CE1 3.28Å; H1061-F1065 CarbonylContact C-O 3.29Å; H1061-F1065 VanDerWaalsContact CA-O 3.3Å; H1061-F1065 WeakPolarHBondContact CA-O 3.36Å; D1062-F1065 PolarHBondContact N-O 2.9Å; D1062-F1065 VanDerWaalsContact N-O 3.13Å; D1062-F1065 WeakPolarHBondContact O-CA 3.42Å; D1062-F1065 VanDerWaalsContact O-CB 3.29Å; D1062-F1065 WeakPolarHBondContact O-CB 3.33Å; D1062-F1065 PolarHBondContact O-N 2.88Å; F1063-F1065 VanDerWaalsContact C-N 3.29Å; F1063-F1065 PolarHBondContact O-N 2.79Å; F1065-T1067 HydrophobicContact CD1-CG2 3.82Å; F1065-T1067 HydrophobicContact CE1-CG2 3.22Å; F1065-T1067 HydrophobicContact CE2-CG2 4.32Å; F1065-T1067 HydrophobicContact CZ-CG2 3.67Å |
| 1066 | V | 90.7 | Very high | 86.2 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 122.8 | -176.3 | 174 | 0 | 0 | 0 | 0 | 109.3 | E1029 C1030 V1032 V1042 W1044 T1060 H1061 | E1029-V1066 CarbonylContact C-O 3.5Å; E1029-V1066 WeakPolarHBondContact CA-O 3.37Å; C1030-V1066 PolarHBondContact N-O 3.11Å; C1030-V1066 PolarHBondContact O-N 3.16Å; V1032-V1066 HydrophobicContact CG1-CG2 4.41Å; V1032-V1066 HydrophobicContact CG2-CG2 4.05Å; V1042-V1066 HydrophobicContact CB-CG1 4.47Å; V1042-V1066 HydrophobicContact CG1-CB 4.44Å; V1042-V1066 HydrophobicContact CG1-CG1 3.52Å; V1042-V1066 VanDerWaalsContact CG1-CG1 3.45Å; V1042-V1066 HydrophobicContact CG1-CG2 4.27Å; V1042-V1066 HydrophobicContact CG2-CG1 4.38Å; V1042-V1066 HydrophobicContact CG2-CG2 3.79Å; W1044-V1066 HydrophobicContact CZ2-CG1 3.92Å; T1060-V1066 CarbonylContact O-C 3.56Å; T1060-V1066 WeakPolarHBondContact O-CA 3.25Å; H1061-V1066 HydrophobicContact CB-CG2 4.07Å |
| 1067 | T | 91.8 | Very high | 86.2 | Confident | 8 Ų | 8 | 53 Ų | 53 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 158.2 | 178.9 | 76.7 | 0 | 0 | 0 | 0 | 114.1 | F1028 E1029 W1044 T1059 T1060 F1065 | F1028-T1067 CarbonylContact O-C 3.55Å; F1028-T1067 WeakPolarHBondContact O-CA 3.39Å; F1028-T1067 VanDerWaalsContact O-CB 3.26Å; F1028-T1067 WeakPolarHBondContact O-CB 3.37Å; E1029-T1067 HydrophobicContact CB-CG2 4.1Å; W1044-T1067 PolarHBondContact NE1-O 3.02Å; T1059-T1067 CarbonylContact C-O 3.47Å; T1059-T1067 VanDerWaalsContact CA-O 3.27Å; T1059-T1067 WeakPolarHBondContact CA-O 3.4Å; T1060-T1067 WeakPolarHBondContact CB-OG1 3.2Å; T1060-T1067 WeakPolarHBondContact CG2-OG1 3.26Å; T1060-T1067 PolarHBondContact N-O 3.17Å; T1060-T1067 VanDerWaalsContact N-O 3.17Å; T1060-T1067 PolarHBondContact O-N 2.83Å; T1060-T1067 WeakPolarHBondContact OG1-CB 3.26Å; T1060-T1067 PolarHBondContact OG1-N 3.16Å; T1060-T1067 PolarHBondContact OG1-OG1 3.09Å; F1065-T1067 HydrophobicContact CD1-CG2 3.82Å; F1065-T1067 HydrophobicContact CE1-CG2 3.22Å; F1065-T1067 HydrophobicContact CE2-CG2 4.32Å; F1065-T1067 HydrophobicContact CZ-CG2 3.67Å |
| 1068 | L | 91.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 121.2 | 164.9 | 165.5 | 66.9 | 0 | 0 | 0 | 109.3 | H1027 F1028 W1044 L1051 F1057 R1058 T1059 I1070 W1081 | H1027-L1068 CarbonylContact C-O 3.54Å; F1028-L1068 HydrophobicContact CB-CB 4.32Å; F1028-L1068 HydrophobicContact CD2-CB 4.44Å; F1028-L1068 HydrophobicContact CD2-CD2 4.07Å; F1028-L1068 HydrophobicContact CD2-CG 4.29Å; F1028-L1068 HydrophobicContact CE2-CD2 4.46Å; F1028-L1068 PolarHBondContact N-O 2.9Å; F1028-L1068 PolarHBondContact O-N 3.2Å; W1044-L1068 HydrophobicContact CD2-CB 3.78Å; W1044-L1068 HydrophobicContact CD2-CD2 3.86Å; W1044-L1068 HydrophobicContact CD2-CG 4.41Å; W1044-L1068 VanDerWaalsContact CE2-CB 3.45Å; W1044-L1068 HydrophobicContact CE3-CB 4.08Å; W1044-L1068 HydrophobicContact CE3-CD2 3.64Å; W1044-L1068 HydrophobicContact CE3-CG 4.44Å; W1044-L1068 HydrophobicContact CG-CB 4.41Å; W1044-L1068 HydrophobicContact CG-CD2 4.29Å; W1044-L1068 HydrophobicContact CH2-CB 3.79Å; W1044-L1068 HydrophobicContact CZ2-CB 3.49Å; W1044-L1068 VanDerWaalsContact CZ2-CB 3.47Å; W1044-L1068 HydrophobicContact CZ3-CB 4.07Å; W1044-L1068 HydrophobicContact CZ3-CD2 4.03Å; L1051-L1068 HydrophobicContact CD2-CD1 3.67Å; L1051-L1068 HydrophobicContact CD2-CD2 4.29Å; F1057-L1068 HydrophobicContact CB-CD1 4.27Å; F1057-L1068 HydrophobicContact CD1-CD1 4.4Å; R1058-L1068 CarbonylContact O-C 3.57Å; R1058-L1068 VanDerWaalsContact O-CA 3.29Å; R1058-L1068 WeakPolarHBondContact O-CA 3.35Å; T1059-L1068 HydrophobicContact CG2-CB 4.39Å; T1059-L1068 HydrophobicContact CG2-CD1 3.73Å; L1068-I1070 HydrophobicContact CD1-CG1 4.49Å; L1068-I1070 HydrophobicContact CD2-CG1 4.47Å; L1068-I1070 HydrophobicContact CG-CG1 4.39Å; L1068-W1081 HydrophobicContact CD2-CD2 4.11Å; L1068-W1081 HydrophobicContact CD2-CE3 3.29Å; L1068-W1081 HydrophobicContact CD2-CH2 4.29Å; L1068-W1081 HydrophobicContact CD2-CZ3 3.39Å; L1068-W1081 VanDerWaalsContact CD2-CZ3 3.43Å |
| 1069 | D | 90.1 | Very high | 86.4 | Confident | 29.6 Ų | 29.6 | 46.6 Ų | 46.6 | 16% | 0.158 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 130.1 | 168.1 | -65.6 | -67.6 | 0 | 0 | 0 | 110.6 | R26 A1026 H1027 F1057 R1058 L1071 | R26-D1069 WeakPolarHBondContact CD-OD2 3.43Å; R26-D1069 IonicContact CZ-OD1 3.29Å; R26-D1069 VanDerWaalsContact CZ-OD1 3.32Å; R26-D1069 IonicContact CZ-OD2 3.27Å; R26-D1069 IonicContact NE-OD2 3.3Å; R26-D1069 PolarHBondContact NE-OD2 2.68Å; R26-D1069 VanDerWaalsContact NE-OD2 3.09Å; R26-D1069 IonicContact NH1-OD1 3.44Å; R26-D1069 PolarHBondContact NH1-OD1 3.22Å; R26-D1069 IonicContact NH1-OD2 3.72Å; R26-D1069 PolarHBondContact NH1-OD2 2.8Å; R26-D1069 IonicContact NH2-OD1 3.12Å; R26-D1069 IonicContact NH2-OD2 3.87Å; R26-D1069 PolarHBondContact NH2-OD2 3.29Å; R26-D1069 VanDerWaalsContact NH2-OD2 3.16Å; A1026-D1069 CarbonylContact O-C 3.56Å; A1026-D1069 WeakPolarHBondContact O-CA 3.35Å; H1027-D1069 IonicContact CE1-OD1 3.28Å; H1027-D1069 IonicContact CE1-OD2 3.25Å; H1027-D1069 IonicContact CG-OD1 3.23Å; H1027-D1069 VanDerWaalsContact ND1-CG 3.33Å; H1027-D1069 IonicContact ND1-OD1 3.11Å; H1027-D1069 PolarHBondContact ND1-OD1 2.97Å; H1027-D1069 IonicContact ND1-OD2 3.44Å; F1057-D1069 CarbonylContact C-O 3.49Å; F1057-D1069 WeakPolarHBondContact CA-O 3.35Å; R1058-D1069 HydrophobicContact CB-CB 4.24Å; R1058-D1069 PolarHBondContact N-O 3.05Å; R1058-D1069 PolarHBondContact O-N 3.09Å; D1069-L1071 HydrophobicContact CB-CD2 4.41Å |
| 1070 | I | 90.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 104.7 | 169 | -48.4 | 179.3 | 0 | 0 | 0 | 107 | L1025 A1026 F1028 R1056 F1057 L1068 H1072 W1081 L1098 | L1025-I1070 CarbonylContact C-O 3.56Å; L1025-I1070 VanDerWaalsContact CA-O 3.25Å; L1025-I1070 WeakPolarHBondContact CA-O 3.34Å; L1025-I1070 WeakPolarHBondContact CG-O 3.11Å; A1026-I1070 HydrophobicContact CB-CB 4.29Å; A1026-I1070 HydrophobicContact CB-CD1 4.37Å; A1026-I1070 HydrophobicContact CB-CG1 4.43Å; A1026-I1070 PolarHBondContact N-O 3.13Å; A1026-I1070 VanDerWaalsContact N-O 3.13Å; A1026-I1070 PolarHBondContact O-N 3.29Å; F1028-I1070 HydrophobicContact CE2-CD1 4.13Å; R1056-I1070 CarbonylContact O-C 3.5Å; R1056-I1070 WeakPolarHBondContact O-CA 3.36Å; F1057-I1070 HydrophobicContact CD1-CB 4.4Å; F1057-I1070 HydrophobicContact CD1-CG1 3.99Å; F1057-I1070 HydrophobicContact CD1-CG2 4.1Å; F1057-I1070 HydrophobicContact CE1-CB 4.46Å; F1057-I1070 HydrophobicContact CE1-CD1 4.34Å; F1057-I1070 HydrophobicContact CE1-CG1 4.13Å; F1057-I1070 HydrophobicContact CE1-CG2 3.83Å; L1068-I1070 HydrophobicContact CD1-CG1 4.49Å; L1068-I1070 HydrophobicContact CD2-CG1 4.47Å; L1068-I1070 HydrophobicContact CG-CG1 4.39Å; I1070-H1072 VanDerWaalsContact C-N 3.32Å; I1070-H1072 PolarHBondContact O-N 3Å; I1070-W1081 HydrophobicContact CD1-CD2 4.44Å; I1070-W1081 HydrophobicContact CD1-CH2 3.92Å; I1070-W1081 HydrophobicContact CD1-CZ2 3.41Å; I1070-W1081 VanDerWaalsContact CD1-CZ2 3.45Å; I1070-W1081 HydrophobicContact CD1-CZ3 4.4Å; I1070-W1081 HydrophobicContact CG1-CH2 4.43Å; I1070-W1081 HydrophobicContact CG1-CZ2 4.38Å; I1070-L1098 HydrophobicContact CD1-CD2 3.67Å |
| 1071 | L | 85.2 | Confident | 86.9 | Confident | 43 Ų | 43 | 44.1 Ų | 44.1 | 23% | 0.225 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -67.6 | -24.8 | -172.7 | -60.7 | 179.9 | 0 | 0 | 0 | 112.9 | L1025 H1055 R1056 R1058 D1069 | L1025-L1071 HydrophobicContact CD1-CD2 4Å; H1055-L1071 WeakPolarHBondContact O-CD1 3.38Å; R1056-L1071 WeakPolarHBondContact CB-O 3.21Å; R1056-L1071 WeakPolarHBondContact O-CB 3.23Å; R1056-L1071 WeakPolarHBondContact O-CG 3.43Å; R1056-L1071 PolarHBondContact O-N 3.1Å; R1058-L1071 HydrophobicContact CG-CD1 4.47Å; D1069-L1071 HydrophobicContact CB-CD2 4.41Å |
| 1072 | H | 85.2 | Confident | 87.4 | Confident | 97.8 Ų | 97.8 | 39.1 Ų | 39.1 | 45% | 0.453 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -154.6 | 100.3 | 177.9 | -24.8 | -68 | 0 | 0 | 0 | 109.3 | G1023 H1055 R1056 I1070 | G1023-H1072 WeakPolarHBondContact O-CA 3.34Å; G1023-H1072 PolarHBondContact O-ND1 2.85Å; H1055-H1072 AromaticContact NE2-CE1 3.42Å; H1055-H1072 PolarHBondContact NE2-CE1 2.69Å; H1055-H1072 AromaticContact NE2-NE2 3.87Å; R1056-H1072 WeakPolarHBondContact CD-NE2 3.45Å; R1056-H1072 WeakPolarHBondContact CG-NE2 3.49Å; R1056-H1072 PolarHBondContact NH1-O 2.99Å; R1056-H1072 VanDerWaalsContact NH1-O 3.09Å; I1070-H1072 VanDerWaalsContact C-N 3.32Å; I1070-H1072 PolarHBondContact O-N 3Å |
| 1073 | C | 87.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -74.8 | 130.5 | -177.3 | -66.6 | 0 | 0 | 0 | 0 | 111.9 | V1020 E1022 G1023 E1024 A1026 D1077 V1100 | V1020-C1073 HydrophobicContact CG2-CB 3.95Å; E1022-C1073 CarbonylContact C-O 3.55Å; E1022-C1073 WeakPolarHBondContact CA-O 3.33Å; G1023-C1073 PolarHBondContact N-O 3.05Å; E1024-C1073 WeakPolarHBondContact O-CB 3.34Å; E1024-C1073 PolarHBondContact O-N 2.82Å; E1024-C1073 PolarHBondContact O-SG 3.03Å; E1024-C1073 VanDerWaalsContact O-SG 3.36Å; A1026-C1073 WeakPolarHBondContact CB-SG 3.32Å; A1026-C1073 PolarHBondContact N-SG 3.11Å; C1073-D1077 WeakPolarHBondContact CA-OD2 3.36Å; C1073-V1100 HydrophobicContact CB-CG1 3.97Å; C1073-V1100 HydrophobicContact CB-CG2 3.89Å | ||
| 1074 | L | 86 | Confident | 88.7 | Confident | 49.8 Ų | 49.8 | 30.8 Ų | 30.8 | 26% | 0.261 | 17% | 0.169 | S | C | . | . | trans | -104.1 | 157.7 | 174.2 | -60.1 | 176.2 | 0 | 0 | 0 | 109.8 | E1076 D1077 V1100 | L1074-E1076 HydrophobicContact CB-CG 3.65Å; L1074-E1076 HydrophobicContact CD1-CG 4.34Å; L1074-E1076 VanDerWaalsContact CD1-OE1 3.27Å; L1074-E1076 WeakPolarHBondContact CD1-OE1 3.37Å; L1074-E1076 PolarHBondContact O-N 3.17Å; L1074-E1076 VanDerWaalsContact O-N 3.09Å; L1074-D1077 PolarHBondContact N-OD2 2.84Å; L1074-D1077 WeakPolarHBondContact O-CB 3.42Å; L1074-D1077 PolarHBondContact O-N 3.09Å; L1074-V1100 WeakPolarHBondContact O-CB 3.35Å; L1074-V1100 WeakPolarHBondContact O-CG2 3.37Å | ||
| 1075 | P | 83.2 | Confident | 89.3 | Confident | 51.2 Ų | 51.2 | 30.3 Ų | 30.3 | 33% | 0.332 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -53.5 | -34.3 | 178.2 | -28.2 | 37.4 | 0 | 0 | 0 | 113.3 | E1022 D1077 S1078 A1102 | E1022-P1075 HydrophobicContact CG-CG 4.38Å; E1022-P1075 WeakPolarHBondContact OE1-CD 3.28Å; E1022-P1075 WeakPolarHBondContact OE1-CG 3.49Å; E1022-P1075 WeakPolarHBondContact OE2-CG 3.36Å; P1075-D1077 VanDerWaalsContact C-N 3.31Å; P1075-D1077 PolarHBondContact O-N 3.11Å; P1075-S1078 VanDerWaalsContact O-CB 3.26Å; P1075-S1078 WeakPolarHBondContact O-CB 3.35Å; P1075-S1078 PolarHBondContact O-N 3.08Å; P1075-S1078 VanDerWaalsContact O-N 3.13Å; P1075-S1078 PolarHBondContact O-OG 2.91Å; P1075-A1102 HydrophobicContact CB-CB 3.94Å; P1075-A1102 HydrophobicContact CG-CB 3.63Å |
| 1076 | E | 85.2 | Confident | 89.4 | Confident | 112 Ų | 112 | 29 Ų | 29 | 52% | 0.523 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -67 | -23.1 | 175.9 | 55.5 | 176.9 | -153.6 | 0 | 0 | 114.6 | H1046 R1056 L1074 S1078 S1824 V1826 | H1046-E1076 PolarHBondContact CE1-O 2.96Å; H1046-E1076 VanDerWaalsContact CE1-O 3.24Å; R1056-E1076 IonicContact NH2-OE1 3.59Å; L1074-E1076 HydrophobicContact CB-CG 3.65Å; L1074-E1076 HydrophobicContact CD1-CG 4.34Å; L1074-E1076 VanDerWaalsContact CD1-OE1 3.27Å; L1074-E1076 WeakPolarHBondContact CD1-OE1 3.37Å; L1074-E1076 PolarHBondContact O-N 3.17Å; L1074-E1076 VanDerWaalsContact O-N 3.09Å; E1076-S1078 PolarHBondContact O-N 3Å; E1076-S1824 VanDerWaalsContact OE2-CB 3.23Å; E1076-S1824 WeakPolarHBondContact OE2-CB 3.47Å; E1076-S1824 PolarHBondContact OE2-OG 2.79Å; E1076-V1826 VanDerWaalsContact OE1-CG2 3.26Å; E1076-V1826 WeakPolarHBondContact OE1-CG2 3.31Å; E1076-V1826 WeakPolarHBondContact OE2-CG2 3.37Å |
| 1077 | D | 88.3 | Confident | 89.2 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.027 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -71.9 | -12.1 | 174.2 | -59.7 | -41.1 | 0 | 0 | 0 | 111.6 | H1046 R1056 C1073 L1074 P1075 G1079 W1081 L1098 V1100 | H1046-D1077 VanDerWaalsContact NE2-C 3.34Å; H1046-D1077 PolarHBondContact NE2-O 3Å; R1056-D1077 IonicContact CZ-OD1 3.33Å; R1056-D1077 IonicContact CZ-OD2 3.5Å; R1056-D1077 IonicContact NH1-OD1 3.08Å; R1056-D1077 PolarHBondContact NH1-OD1 3.1Å; R1056-D1077 IonicContact NH1-OD2 3.16Å; R1056-D1077 PolarHBondContact NH1-OD2 2.87Å; R1056-D1077 IonicContact NH2-OD1 3.19Å; R1056-D1077 PolarHBondContact NH2-OD1 3.02Å; R1056-D1077 IonicContact NH2-OD2 3.34Å; R1056-D1077 PolarHBondContact NH2-OD2 2.67Å; C1073-D1077 WeakPolarHBondContact CA-OD2 3.36Å; L1074-D1077 PolarHBondContact N-OD2 2.84Å; L1074-D1077 WeakPolarHBondContact O-CB 3.42Å; L1074-D1077 PolarHBondContact O-N 3.09Å; P1075-D1077 VanDerWaalsContact C-N 3.31Å; P1075-D1077 PolarHBondContact O-N 3.11Å; D1077-G1079 PolarHBondContact O-N 2.8Å; D1077-W1081 HydrophobicContact CB-CZ2 4.32Å; D1077-W1081 PolarHBondContact O-NE1 3.04Å; D1077-L1098 HydrophobicContact CB-CD2 3.97Å; D1077-L1098 WeakPolarHBondContact O-CD2 3.34Å; D1077-V1100 HydrophobicContact CB-CG2 4.3Å |
| 1078 | S | 89.1 | Confident | 88.8 | Confident | 34.6 Ų | 34.6 | 36.8 Ų | 36.8 | 24% | 0.242 | 20% | 0.196 | C | C | . | . | trans | -57.7 | 148 | 173.3 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | H1046 N1047 P1075 E1076 L1098 V1100 | H1046-S1078 PolarHBondContact NE2-O 2.97Å; H1046-S1078 VanDerWaalsContact NE2-O 3.07Å; N1047-S1078 PolarHBondContact ND2-O 3.05Å; N1047-S1078 VanDerWaalsContact ND2-O 3.15Å; P1075-S1078 VanDerWaalsContact O-CB 3.26Å; P1075-S1078 WeakPolarHBondContact O-CB 3.35Å; P1075-S1078 PolarHBondContact O-N 3.08Å; P1075-S1078 VanDerWaalsContact O-N 3.13Å; P1075-S1078 PolarHBondContact O-OG 2.91Å; E1076-S1078 PolarHBondContact O-N 3Å; S1078-L1098 CarbonylContact C-O 3.56Å; S1078-L1098 VanDerWaalsContact CA-O 3.31Å; S1078-L1098 WeakPolarHBondContact CA-O 3.37Å; S1078-V1100 WeakPolarHBondContact OG-CB 3.29Å; S1078-V1100 PolarHBondContact OG-N 3.16Å; S1078-V1100 VanDerWaalsContact OG-N 3.08Å | ||
| 1079 | G | 88.9 | Confident | 88.4 | Confident | 22 Ų | 22 | 41.7 Ų | 41.7 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 130.1 | -160.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1047 D1077 W1081 A1097 L1098 | N1047-G1079 VanDerWaalsContact OD1-CA 3.27Å; N1047-G1079 WeakPolarHBondContact OD1-CA 3.4Å; D1077-G1079 PolarHBondContact O-N 2.8Å; G1079-W1081 PolarHBondContact O-N 3.47Å; G1079-A1097 CarbonylContact O-C 3.49Å; G1079-A1097 WeakPolarHBondContact O-CA 3.32Å; G1079-L1098 PolarHBondContact N-O 3Å; G1079-L1098 PolarHBondContact O-N 2.98Å |
| 1080 | T | 91.6 | Very high | 88.1 | Confident | 65.2 Ų | 65.2 | 41.4 Ų | 41.4 | 40% | 0.4 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 112.1 | -176.2 | -53.1 | 0 | 0 | 0 | 0 | 110.4 | N1047 P1095 A1096 | N1047-T1080 PolarHBondContact N-O 3.18Å; N1047-T1080 PolarHBondContact OD1-N 3.16Å; T1080-P1095 HydrophobicContact CG2-CB 3.65Å; T1080-A1096 CarbonylContact C-O 3.54Å; T1080-A1096 VanDerWaalsContact CA-O 3.31Å; T1080-A1096 WeakPolarHBondContact CA-O 3.31Å; T1080-A1096 WeakPolarHBondContact CG2-O 3.25Å |
| 1081 | W | 91.8 | Very high | 88.1 | Confident | 0.6 Ų | 0.6 | 45 Ų | 45 | 0% | 0.002 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 114.8 | 172.1 | -73.4 | 86.2 | 0 | 0 | 0 | 109.1 | F1028 L1045 H1046 L1051 F1057 L1068 I1070 D1077 G1079 P1095 A1096 L1098 | F1028-W1081 HydrophobicContact CE1-CB 4.4Å; F1028-W1081 HydrophobicContact CE2-CB 4.33Å; F1028-W1081 HydrophobicContact CE2-CD2 4.37Å; F1028-W1081 AromaticContact CE2-CG 3.95Å; F1028-W1081 HydrophobicContact CE2-CG 4Å; F1028-W1081 HydrophobicContact CZ-CB 4.14Å; F1028-W1081 AromaticContact CZ-CD1 3.93Å; F1028-W1081 AromaticContact CZ-CG 3.96Å; F1028-W1081 HydrophobicContact CZ-CG 4.02Å; L1045-W1081 CarbonylContact O-C 3.54Å; L1045-W1081 VanDerWaalsContact O-CA 3.31Å; L1045-W1081 WeakPolarHBondContact O-CA 3.35Å; H1046-W1081 HydrophobicContact CB-CD2 4.26Å; H1046-W1081 HydrophobicContact CB-CE3 4.03Å; H1046-W1081 HydrophobicContact CB-CH2 3.89Å; H1046-W1081 HydrophobicContact CB-CZ2 4.09Å; H1046-W1081 HydrophobicContact CB-CZ3 3.85Å; H1046-W1081 AromaticContact CD2-CD1 3.93Å; H1046-W1081 AromaticContact CD2-CD2 3.81Å; H1046-W1081 AromaticContact CD2-CE2 3.25Å; H1046-W1081 AromaticContact CD2-CZ2 3.44Å; H1046-W1081 VanDerWaalsContact CD2-CZ2 3.44Å; H1046-W1081 WeakPolarHBondContact CD2-CZ2 3.33Å; H1046-W1081 AromaticContact CD2-NE1 3.34Å; H1046-W1081 PolarHBondContact CD2-NE1 2.93Å; H1046-W1081 VanDerWaalsContact CD2-NE1 3.28Å; H1046-W1081 AromaticContact CG-CE2 3.87Å; H1046-W1081 AromaticContact CG-CH2 3.85Å; H1046-W1081 AromaticContact CG-CZ2 3.78Å; H1046-W1081 AromaticContact NE2-CE2 3.94Å; H1046-W1081 AromaticContact NE2-CZ2 3.89Å; H1046-W1081 AromaticContact NE2-NE1 3.78Å; L1051-W1081 HydrophobicContact CD1-CH2 3.82Å; L1051-W1081 HydrophobicContact CD1-CZ3 3.73Å; L1051-W1081 HydrophobicContact CD2-CZ3 4.17Å; L1051-W1081 HydrophobicContact CG-CZ3 4.38Å; F1057-W1081 HydrophobicContact CD1-CH2 4.19Å; F1057-W1081 AromaticContact CE1-CH2 3.68Å; F1057-W1081 HydrophobicContact CE1-CH2 3.68Å; F1057-W1081 HydrophobicContact CE1-CZ2 4.25Å; F1057-W1081 HydrophobicContact CZ-CH2 4.29Å; L1068-W1081 HydrophobicContact CD2-CD2 4.11Å; L1068-W1081 HydrophobicContact CD2-CE3 3.29Å; L1068-W1081 HydrophobicContact CD2-CH2 4.29Å; L1068-W1081 HydrophobicContact CD2-CZ3 3.39Å; L1068-W1081 VanDerWaalsContact CD2-CZ3 3.43Å; I1070-W1081 HydrophobicContact CD1-CD2 4.44Å; I1070-W1081 HydrophobicContact CD1-CH2 3.92Å; I1070-W1081 HydrophobicContact CD1-CZ2 3.41Å; I1070-W1081 VanDerWaalsContact CD1-CZ2 3.45Å; I1070-W1081 HydrophobicContact CD1-CZ3 4.4Å; I1070-W1081 HydrophobicContact CG1-CH2 4.43Å; I1070-W1081 HydrophobicContact CG1-CZ2 4.38Å; D1077-W1081 HydrophobicContact CB-CZ2 4.32Å; D1077-W1081 PolarHBondContact O-NE1 3.04Å; G1079-W1081 PolarHBondContact O-N 3.47Å; W1081-P1095 CarbonylContact O-C 3.46Å; W1081-P1095 WeakPolarHBondContact O-CA 3.31Å; W1081-A1096 PolarHBondContact N-O 3.17Å; W1081-A1096 PolarHBondContact O-N 3.09Å; W1081-L1098 VanDerWaalsContact CD1-CB 3.47Å |
| 1082 | T | 92.7 | Very high | 88.4 | Confident | 15.4 Ų | 15.4 | 47.4 Ų | 47.4 | 9% | 0.094 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 119.9 | -178 | -52.1 | 0 | 0 | 0 | 0 | 110 | W1044 L1045 E1093 C1094 P1095 | W1044-T1082 CarbonylContact C-O 3.53Å; L1045-T1082 WeakPolarHBondContact CB-O 3.25Å; L1045-T1082 HydrophobicContact CD1-CG2 4.23Å; L1045-T1082 PolarHBondContact N-O 2.94Å; L1045-T1082 PolarHBondContact O-N 3.19Å; T1082-E1093 HydrophobicContact CG2-CB 3.77Å; T1082-E1093 HydrophobicContact CG2-CG 4.15Å; T1082-C1094 CarbonylContact C-O 3.53Å; T1082-C1094 WeakPolarHBondContact CA-O 3.39Å; T1082-P1095 HydrophobicContact CG2-CB 4.38Å |
| 1083 | C | 92.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 118.2 | 164.4 | -178.4 | 0 | 0 | 0 | 0 | 108 | F1010 L1014 C1030 W1044 E1093 C1094 | F1010-C1083 HydrophobicContact CE1-CB 4.18Å; F1010-C1083 HydrophobicContact CZ-CB 4.22Å; F1010-C1083 VanDerWaalsContact CZ-O 3.25Å; F1010-C1083 WeakPolarHBondContact CZ-O 3.37Å; L1014-C1083 HydrophobicContact CD1-CB 4.1Å; L1014-C1083 HydrophobicContact CD2-CB 4.5Å; L1014-C1083 HydrophobicContact CG-CB 4.49Å; C1030-C1083 VanDerWaalsContact SG-SG 3.69Å; W1044-C1083 HydrophobicContact CD2-CB 4.4Å; W1044-C1083 HydrophobicContact CE3-CB 4.12Å; W1044-C1083 HydrophobicContact CH2-CB 4.08Å; W1044-C1083 HydrophobicContact CZ2-CB 4.32Å; W1044-C1083 HydrophobicContact CZ3-CB 3.97Å; C1083-E1093 CarbonylContact O-C 3.54Å; C1083-E1093 WeakPolarHBondContact O-CA 3.32Å; C1083-C1094 PolarHBondContact N-O 2.97Å; C1083-C1094 PolarHBondContact O-N 3.03Å |
| 1084 | Q | 93.1 | Very high | 88.9 | Confident | 43.8 Ų | 43.8 | 48.6 Ų | 48.6 | 21% | 0.205 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 127.5 | 171.7 | -177.4 | -173.8 | 86.4 | 0 | 0 | 108.8 | V1042 L1043 L1045 V1091 Q1092 E1093 | V1042-Q1084 CarbonylContact C-O 3.55Å; V1042-Q1084 WeakPolarHBondContact CA-O 3.21Å; L1043-Q1084 HydrophobicContact CB-CB 4.31Å; L1043-Q1084 PolarHBondContact N-O 2.81Å; L1043-Q1084 PolarHBondContact O-N 3.04Å; L1045-Q1084 HydrophobicContact CD1-CB 3.89Å; Q1084-V1091 HydrophobicContact CG-CG1 3.53Å; Q1084-V1091 VanDerWaalsContact CG-CG1 3.47Å; Q1084-Q1092 CarbonylContact C-O 3.54Å; Q1084-Q1092 VanDerWaalsContact CA-O 3.3Å; Q1084-Q1092 WeakPolarHBondContact CA-O 3.3Å; Q1084-E1093 HydrophobicContact CB-CG 3.98Å; Q1084-E1093 HydrophobicContact CG-CG 3.79Å; Q1084-E1093 PolarHBondContact NE2-OE1 2.94Å |
| 1085 | I | 92.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 138.7 | 173.5 | 60.5 | -176.9 | 0 | 0 | 0 | 110.3 | P1008 F1010 V1032 L1040 R1041 V1042 V1091 Q1092 | P1008-I1085 HydrophobicContact CB-CB 4.43Å; P1008-I1085 HydrophobicContact CB-CD1 3.9Å; P1008-I1085 HydrophobicContact CB-CG1 3.98Å; P1008-I1085 HydrophobicContact CG-CD1 4.45Å; P1008-I1085 HydrophobicContact CG-CG1 4.11Å; F1010-I1085 HydrophobicContact CD1-CD1 4.26Å; F1010-I1085 HydrophobicContact CD2-CD1 3.92Å; F1010-I1085 HydrophobicContact CD2-CG1 4.44Å; F1010-I1085 HydrophobicContact CE1-CD1 4.02Å; F1010-I1085 HydrophobicContact CE1-CG1 4.44Å; F1010-I1085 HydrophobicContact CE1-CG2 4.18Å; F1010-I1085 HydrophobicContact CE2-CD1 3.66Å; F1010-I1085 HydrophobicContact CE2-CG1 3.74Å; F1010-I1085 HydrophobicContact CG-CD1 4.2Å; F1010-I1085 HydrophobicContact CZ-CB 4.37Å; F1010-I1085 HydrophobicContact CZ-CD1 3.71Å; F1010-I1085 HydrophobicContact CZ-CG1 3.74Å; F1010-I1085 HydrophobicContact CZ-CG2 3.94Å; V1032-I1085 HydrophobicContact CB-CD1 3.83Å; V1032-I1085 HydrophobicContact CB-CG2 4.49Å; V1032-I1085 HydrophobicContact CG1-CD1 3.53Å; V1032-I1085 VanDerWaalsContact CG1-CD1 3.46Å; V1032-I1085 HydrophobicContact CG1-CG2 3.93Å; L1040-I1085 HydrophobicContact CD1-CB 4.39Å; R1041-I1085 CarbonylContact O-C 3.52Å; R1041-I1085 VanDerWaalsContact O-CA 3.26Å; R1041-I1085 WeakPolarHBondContact O-CA 3.35Å; V1042-I1085 HydrophobicContact CG2-CG2 4.12Å; I1085-V1091 CarbonylContact O-C 3.54Å; I1085-V1091 VanDerWaalsContact O-CA 3.27Å; I1085-V1091 WeakPolarHBondContact O-CA 3.33Å; I1085-V1091 WeakPolarHBondContact O-CG1 3.43Å; I1085-Q1092 HydrophobicContact CD1-CB 4.19Å; I1085-Q1092 HydrophobicContact CG1-CB 3.81Å; I1085-Q1092 PolarHBondContact N-O 2.93Å; I1085-Q1092 PolarHBondContact O-N 3.09Å |
| 1086 | S | 90.7 | Very high | 89.5 | Confident | 29.4 Ų | 29.4 | 47.7 Ų | 47.7 | 21% | 0.206 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 146.1 | -178.7 | 61.5 | 0 | 0 | 0 | 0 | 111.8 | L1040 R1041 G1090 | L1040-S1086 CarbonylContact C-O 3.54Å; L1040-S1086 VanDerWaalsContact CA-O 3.31Å; L1040-S1086 WeakPolarHBondContact CA-O 3.36Å; R1041-S1086 PolarHBondContact N-O 3Å; R1041-S1086 PolarHBondContact O-N 2.99Å; S1086-G1090 WeakPolarHBondContact CA-O 3.4Å |
| 1087 | N | 86.2 | Confident | 89.7 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 10% | 0.096 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | -171.6 | 164 | 71.7 | 12 | 0 | 0 | 0 | 109.7 | R1006 P1008 D1037 D1039 L1089 G1090 | R1006-N1087 PolarHBondContact O-ND2 2.89Å; P1008-N1087 VanDerWaalsContact CD-OD1 3.3Å; P1008-N1087 WeakPolarHBondContact CD-OD1 3.3Å; D1037-N1087 VanDerWaalsContact OD2-CB 3.27Å; D1037-N1087 WeakPolarHBondContact OD2-CB 3.29Å; D1037-N1087 VanDerWaalsContact OD2-CG 3.27Å; D1037-N1087 PolarHBondContact OD2-ND2 3.16Å; D1039-N1087 HydrophobicContact CB-CB 4.41Å; D1039-N1087 WeakPolarHBondContact O-CA 3.22Å; N1087-L1089 PolarHBondContact O-N 3.05Å; N1087-L1089 VanDerWaalsContact O-N 3.12Å; N1087-L1089 WeakPolarHBondContact OD1-CA 3.23Å; N1087-L1089 WeakPolarHBondContact OD1-CB 3.37Å; N1087-L1089 PolarHBondContact OD1-N 3.01Å; N1087-G1090 PolarHBondContact N-O 2.79Å; N1087-G1090 PolarHBondContact O-N 3.13Å; N1087-G1090 PolarHBondContact OD1-N 2.93Å; N1087-G1090 VanDerWaalsContact OD1-N 3.11Å |
| 1088 | K | 82.2 | Confident | 89.8 | Confident | 155.2 Ų | 155.2 | 44.4 Ų | 44.4 | 68% | 0.675 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -13.9 | 179.2 | -74.2 | -178.8 | 179.6 | 137.8 | 0 | 115.4 | D1039 | D1039-K1088 HydrophobicContact CB-CD 4.41Å; D1039-K1088 HydrophobicContact CB-CG 4.01Å; D1039-K1088 VanDerWaalsContact CG-CE 3.42Å; D1039-K1088 VanDerWaalsContact OD1-CE 3.31Å; D1039-K1088 WeakPolarHBondContact OD1-CE 3.4Å; D1039-K1088 IonicContact OD1-NZ 3.8Å; D1039-K1088 PolarHBondContact OD1-NZ 3.02Å; D1039-K1088 VanDerWaalsContact OD1-NZ 3.09Å; D1039-K1088 VanDerWaalsContact OD2-CD 3.23Å; D1039-K1088 WeakPolarHBondContact OD2-CD 3.37Å; D1039-K1088 VanDerWaalsContact OD2-CE 3.26Å; D1039-K1088 WeakPolarHBondContact OD2-CE 3.31Å; D1039-K1088 IonicContact OD2-NZ 3.25Å; D1039-K1088 PolarHBondContact OD2-NZ 3.09Å |
| 1089 | L | 83.4 | Confident | 89.8 | Confident | 102.2 Ų | 102.2 | 49.6 Ų | 49.6 | 54% | 0.535 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -14.4 | -174.7 | -63.8 | 177.3 | 0 | 0 | 0 | 114.3 | I1005 A1007 N1087 | I1005-L1089 VanDerWaalsContact C-CD1 3.48Å; I1005-L1089 HydrophobicContact CB-CD1 3.91Å; I1005-L1089 HydrophobicContact CG2-CD1 3.77Å; I1005-L1089 HydrophobicContact CG2-CG 4.41Å; I1005-L1089 VanDerWaalsContact O-CD1 3.25Å; I1005-L1089 WeakPolarHBondContact O-CD1 3.31Å; A1007-L1089 HydrophobicContact CB-CB 4.25Å; N1087-L1089 PolarHBondContact O-N 3.05Å; N1087-L1089 VanDerWaalsContact O-N 3.12Å; N1087-L1089 WeakPolarHBondContact OD1-CA 3.23Å; N1087-L1089 WeakPolarHBondContact OD1-CB 3.37Å; N1087-L1089 PolarHBondContact OD1-N 3.01Å |
| 1090 | G | 83.8 | Confident | 89.7 | Confident | 23.2 Ų | 23.2 | 49 Ų | 49 | 24% | 0.239 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.8 | 174.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1008 S1086 N1087 | P1008-G1090 VanDerWaalsContact CD-O 3.28Å; P1008-G1090 WeakPolarHBondContact CD-O 3.29Å; P1008-G1090 WeakPolarHBondContact CG-O 3.23Å; S1086-G1090 WeakPolarHBondContact CA-O 3.4Å; N1087-G1090 PolarHBondContact N-O 2.79Å; N1087-G1090 PolarHBondContact O-N 3.13Å; N1087-G1090 PolarHBondContact OD1-N 2.93Å; N1087-G1090 VanDerWaalsContact OD1-N 3.11Å |
| 1091 | V | 90.3 | Very high | 89.1 | Confident | 77.4 Ų | 77.4 | 48.3 Ų | 48.3 | 47% | 0.469 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 141.6 | 174.4 | -173.2 | 0 | 0 | 0 | 0 | 107.9 | Q1084 I1085 | Q1084-V1091 HydrophobicContact CG-CG1 3.53Å; Q1084-V1091 VanDerWaalsContact CG-CG1 3.47Å; I1085-V1091 CarbonylContact O-C 3.54Å; I1085-V1091 VanDerWaalsContact O-CA 3.27Å; I1085-V1091 WeakPolarHBondContact O-CA 3.33Å; I1085-V1091 WeakPolarHBondContact O-CG1 3.43Å |
| 1092 | Q | 92 | Very high | 88 | Confident | 93.4 Ų | 93.4 | 51 Ų | 51 | 44% | 0.436 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 153.2 | 168.9 | -75.7 | -64 | -47.5 | 0 | 0 | 110 | P1008 F1010 Q1084 I1085 | P1008-Q1092 WeakPolarHBondContact O-CG 3.24Å; F1010-Q1092 HydrophobicContact CD2-CB 4.01Å; F1010-Q1092 HydrophobicContact CE2-CB 3.74Å; Q1084-Q1092 CarbonylContact C-O 3.54Å; Q1084-Q1092 VanDerWaalsContact CA-O 3.3Å; Q1084-Q1092 WeakPolarHBondContact CA-O 3.3Å; I1085-Q1092 HydrophobicContact CD1-CB 4.19Å; I1085-Q1092 HydrophobicContact CG1-CB 3.81Å; I1085-Q1092 PolarHBondContact N-O 2.93Å; I1085-Q1092 PolarHBondContact O-N 3.09Å |
| 1093 | E | 92.2 | Very high | 86.4 | Confident | 109.8 Ų | 109.8 | 57 Ų | 57 | 51% | 0.513 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 134.9 | 178.6 | -72.9 | 179.1 | 177.5 | 0 | 0 | 109.9 | F1010 T1082 C1083 Q1084 | F1010-E1093 VanDerWaalsContact CE2-C 3.5Å; T1082-E1093 HydrophobicContact CG2-CB 3.77Å; T1082-E1093 HydrophobicContact CG2-CG 4.15Å; C1083-E1093 CarbonylContact O-C 3.54Å; C1083-E1093 WeakPolarHBondContact O-CA 3.32Å; Q1084-E1093 HydrophobicContact CB-CG 3.98Å; Q1084-E1093 HydrophobicContact CG-CG 3.79Å; Q1084-E1093 PolarHBondContact NE2-OE1 2.94Å |
| 1094 | C | 90.6 | Very high | 84.5 | Confident | 11.6 Ų | 11.6 | 66 Ų | 66 | 8% | 0.078 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 103.2 | 174.7 | -172 | 0 | 0 | 0 | 0 | 109.4 | F1010 P1013 L1014 T1082 C1083 | F1010-C1094 HydrophobicContact CD1-CB 3.85Å; F1010-C1094 HydrophobicContact CD2-CB 3.74Å; F1010-C1094 HydrophobicContact CE1-CB 3.66Å; F1010-C1094 HydrophobicContact CE2-CB 3.53Å; F1010-C1094 VanDerWaalsContact CE2-CB 3.49Å; F1010-C1094 HydrophobicContact CG-CB 3.89Å; F1010-C1094 HydrophobicContact CZ-CB 3.5Å; F1010-C1094 VanDerWaalsContact CZ-CB 3.44Å; P1013-C1094 VanDerWaalsContact CB-SG 3.55Å; P1013-C1094 WeakPolarHBondContact CB-SG 3.36Å; L1014-C1094 VanDerWaalsContact CD1-O 3.24Å; L1014-C1094 WeakPolarHBondContact CD1-O 3.31Å; L1014-C1094 HydrophobicContact CG-CB 4.43Å; L1014-C1094 PolarHBondContact N-SG 2.96Å; T1082-C1094 CarbonylContact C-O 3.53Å; T1082-C1094 WeakPolarHBondContact CA-O 3.39Å; C1083-C1094 PolarHBondContact N-O 2.97Å; C1083-C1094 PolarHBondContact O-N 3.03Å |
| 1095 | P | 91.8 | Very high | 82 | Confident | 77 Ų | 77 | 68.2 Ų | 68.2 | 50% | 0.5 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 141.4 | 176.4 | 31.8 | -32.9 | 0 | 0 | 0 | 112.6 | T1080 W1081 T1082 | T1080-P1095 HydrophobicContact CG2-CB 3.65Å; W1081-P1095 CarbonylContact O-C 3.46Å; W1081-P1095 WeakPolarHBondContact O-CA 3.31Å; T1082-P1095 HydrophobicContact CG2-CB 4.38Å |
| 1096 | A | 90.3 | Very high | 79.7 | Confident | 5 Ų | 5 | 75.2 Ų | 75.2 | 4% | 0.041 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 157.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L1014 E1015 F1028 T1080 W1081 | L1014-A1096 HydrophobicContact CB-CB 3.76Å; L1014-A1096 HydrophobicContact CD1-CB 3.72Å; L1014-A1096 HydrophobicContact CG-CB 4.39Å; E1015-A1096 VanDerWaalsContact O-CB 3.27Å; E1015-A1096 WeakPolarHBondContact O-CB 3.32Å; F1028-A1096 HydrophobicContact CD1-CB 3.96Å; F1028-A1096 HydrophobicContact CE1-CB 3.76Å; T1080-A1096 CarbonylContact C-O 3.54Å; T1080-A1096 VanDerWaalsContact CA-O 3.31Å; T1080-A1096 WeakPolarHBondContact CA-O 3.31Å; T1080-A1096 WeakPolarHBondContact CG2-O 3.25Å; W1081-A1096 PolarHBondContact N-O 3.17Å; W1081-A1096 PolarHBondContact O-N 3.09Å |
| 1097 | A | 89.9 | Confident | 77.4 | Confident | 43.2 Ų | 43.2 | 82.1 Ų | 82.1 | 36% | 0.357 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 134 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q1016 A1017 V1018 G1079 | Q1016-A1097 PolarHBondContact O-N 3.12Å; Q1016-A1097 VanDerWaalsContact O-N 3.15Å; A1017-A1097 CarbonylContact C-O 3.54Å; A1017-A1097 VanDerWaalsContact CA-O 3.29Å; A1017-A1097 WeakPolarHBondContact CA-O 3.36Å; V1018-A1097 PolarHBondContact N-O 3.15Å; G1079-A1097 CarbonylContact O-C 3.49Å; G1079-A1097 WeakPolarHBondContact O-CA 3.32Å |
| 1098 | L | 89.8 | Confident | 75.4 | Confident | 5.4 Ų | 5.4 | 88.4 Ų | 88.4 | 3% | 0.028 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 131.5 | 163.7 | -168.7 | 60.7 | 0 | 0 | 0 | 109 | V1018 V1020 A1026 F1028 I1070 D1077 S1078 G1079 W1081 V1100 | V1018-L1098 HydrophobicContact CB-CD1 3.77Å; V1018-L1098 HydrophobicContact CG1-CD1 3.71Å; V1018-L1098 CarbonylContact O-C 3.59Å; V1018-L1098 WeakPolarHBondContact O-CA 3.33Å; V1018-L1098 WeakPolarHBondContact O-CD1 3.24Å; V1020-L1098 HydrophobicContact CG2-CD1 3.82Å; V1020-L1098 HydrophobicContact CG2-CG 4.46Å; A1026-L1098 HydrophobicContact CB-CD1 3.67Å; A1026-L1098 HydrophobicContact CB-CD2 4.32Å; F1028-L1098 HydrophobicContact CE2-CD1 4.39Å; F1028-L1098 HydrophobicContact CE2-CD2 4.45Å; F1028-L1098 HydrophobicContact CZ-CB 4.03Å; F1028-L1098 HydrophobicContact CZ-CD1 4.06Å; F1028-L1098 HydrophobicContact CZ-CD2 4.46Å; F1028-L1098 HydrophobicContact CZ-CG 4.43Å; I1070-L1098 HydrophobicContact CD1-CD2 3.67Å; D1077-L1098 HydrophobicContact CB-CD2 3.97Å; D1077-L1098 WeakPolarHBondContact O-CD2 3.34Å; S1078-L1098 CarbonylContact C-O 3.56Å; S1078-L1098 VanDerWaalsContact CA-O 3.31Å; S1078-L1098 WeakPolarHBondContact CA-O 3.37Å; G1079-L1098 PolarHBondContact N-O 3Å; G1079-L1098 PolarHBondContact O-N 2.98Å; W1081-L1098 VanDerWaalsContact CD1-CB 3.47Å; L1098-V1100 HydrophobicContact CD1-CG2 4.49Å; L1098-V1100 HydrophobicContact CD2-CG2 3.78Å; L1098-V1100 HydrophobicContact CG-CG2 3.81Å |
| 1099 | Q | 88.9 | Confident | 73.6 | Confident | 144.4 Ų | 144.4 | 87.1 Ų | 87.1 | 68% | 0.675 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 105.2 | 169.4 | -173.5 | 170.1 | -5.9 | 0 | 0 | 109 | V1018 A1019 V1020 A1101 | V1018-Q1099 PolarHBondContact O-N 2.91Å; A1019-Q1099 WeakPolarHBondContact CA-O 3.39Å; V1020-Q1099 PolarHBondContact N-O 2.91Å; V1020-Q1099 VanDerWaalsContact N-O 3.11Å; Q1099-A1101 PolarHBondContact O-N 2.93Å |
| 1100 | V | 86.7 | Confident | 71.6 | Confident | 9.4 Ų | 9.4 | 86.8 Ų | 86.8 | 6% | 0.057 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 115.2 | 176.6 | -170.1 | 0 | 0 | 0 | 0 | 108.8 | V1020 E1022 C1073 L1074 D1077 S1078 L1098 A1102 | V1020-V1100 HydrophobicContact CG2-CB 4.41Å; V1020-V1100 HydrophobicContact CG2-CG1 4.43Å; V1020-V1100 HydrophobicContact CG2-CG2 4.01Å; V1020-V1100 CarbonylContact O-C 3.53Å; V1020-V1100 VanDerWaalsContact O-CA 3.27Å; V1020-V1100 WeakPolarHBondContact O-CA 3.33Å; E1022-V1100 HydrophobicContact CB-CG1 4.35Å; C1073-V1100 HydrophobicContact CB-CG1 3.97Å; C1073-V1100 HydrophobicContact CB-CG2 3.89Å; L1074-V1100 WeakPolarHBondContact O-CB 3.35Å; L1074-V1100 WeakPolarHBondContact O-CG2 3.37Å; D1077-V1100 HydrophobicContact CB-CG2 4.3Å; S1078-V1100 WeakPolarHBondContact OG-CB 3.29Å; S1078-V1100 PolarHBondContact OG-N 3.16Å; S1078-V1100 VanDerWaalsContact OG-N 3.08Å; L1098-V1100 HydrophobicContact CD1-CG2 4.49Å; L1098-V1100 HydrophobicContact CD2-CG2 3.78Å; L1098-V1100 HydrophobicContact CG-CG2 3.81Å; V1100-A1102 PolarHBondContact O-N 2.97Å; V1100-A1102 VanDerWaalsContact O-N 3.11Å |
| 1101 | A | 80.2 | Confident | 69.8 | Low | 50.4 Ų | 50.4 | 90.8 Ų | 90.8 | 42% | 0.417 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 102 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | V1020 E1022 Q1099 K1103 | V1020-A1101 PolarHBondContact O-N 2.88Å; E1022-A1101 PolarHBondContact N-O 2.92Å; E1022-A1101 VanDerWaalsContact N-O 3.12Å; Q1099-A1101 PolarHBondContact O-N 2.93Å; A1101-K1103 PolarHBondContact O-N 2.87Å |
| 1102 | A | 68 | Low | 67.5 | Low | 56.4 Ų | 56.4 | 92.7 Ų | 92.7 | 47% | 0.466 | 51% | 0.506 | S | S | . | . | trans | -59.5 | 138 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1022 P1075 V1100 Q1104 | E1022-A1102 WeakPolarHBondContact OE2-CA 3.47Å; P1075-A1102 HydrophobicContact CB-CB 3.94Å; P1075-A1102 HydrophobicContact CG-CB 3.63Å; V1100-A1102 PolarHBondContact O-N 2.97Å; V1100-A1102 VanDerWaalsContact O-N 3.11Å; A1102-Q1104 PolarHBondContact O-N 2.9Å | ||
| 1103 | K | 60.2 | Low | 65.6 | Low | 140.8 Ų | 140.8 | 92.8 Ų | 92.8 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | trans | -72.4 | 120 | 169.6 | -117.4 | 170.4 | -179.7 | 170.4 | 0 | 107.8 | E1022 A1101 S1105 F1194 | E1022-K1103 HydrophobicContact CB-CB 4.34Å; E1022-K1103 HydrophobicContact CB-CD 4.46Å; E1022-K1103 HydrophobicContact CB-CG 4.37Å; E1022-K1103 PolarHBondContact O-NZ 2.68Å; E1022-K1103 WeakPolarHBondContact OE2-CB 3.36Å; E1022-K1103 PolarHBondContact OE2-N 2.97Å; A1101-K1103 PolarHBondContact O-N 2.87Å; K1103-S1105 VanDerWaalsContact C-N 3.35Å; K1103-S1105 PolarHBondContact O-N 3.11Å; K1103-F1194 HydrophobicContact CB-CE1 4.19Å; K1103-F1194 HydrophobicContact CB-CZ 4.33Å; K1103-F1194 HydrophobicContact CD-CD1 4.21Å; K1103-F1194 HydrophobicContact CD-CE1 3.39Å; K1103-F1194 HydrophobicContact CD-CE2 4.18Å; K1103-F1194 HydrophobicContact CD-CZ 3.39Å; K1103-F1194 HydrophobicContact CG-CD1 4.46Å; K1103-F1194 HydrophobicContact CG-CE1 3.57Å; K1103-F1194 HydrophobicContact CG-CZ 3.97Å; K1103-F1194 VanDerWaalsContact NZ-CD2 3.34Å; K1103-F1194 VanDerWaalsContact NZ-CZ 3.28Å | ||
| 1104 | Q | 52.9 | Low | 63.8 | Low | 189.2 Ų | 189.2 | 91.3 Ų | 91.3 | 88% | 0.884 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -65.5 | 99.9 | -174.8 | -69.5 | -179.9 | -8.8 | 0 | 0 | 111.9 | A1102 | A1102-Q1104 PolarHBondContact O-N 2.9Š|
| 1105 | S | 40.9 | Very low | 62 | Low | 90.8 Ų | 90.8 | 93.2 Ų | 93.2 | 64% | 0.635 | 53% | 0.531 | S | S | * | . | trans | -160.7 | 100.4 | 151.4 | 56.8 | 0 | 0 | 0 | 0 | 112.8 | K1103 F1194 | K1103-S1105 VanDerWaalsContact C-N 3.35Å; K1103-S1105 PolarHBondContact O-N 3.11Å; S1105-F1194 WeakPolarHBondContact OG-CE1 3.16Å | ||
| 1106 | I | 42.9 | Very low | 60.3 | Low | 147.2 Ų | 147.2 | 94.5 Ų | 94.5 | 76% | 0.755 | 53% | 0.533 | S | S | * | . | trans | 168.5 | 126.6 | 163.7 | -57.7 | 163.2 | 0 | 0 | 0 | 111.2 | L1108 | I1106-L1108 HydrophobicContact CG2-CD1 3.88Å; I1106-L1108 HydrophobicContact CG2-CD2 4.29Å; I1106-L1108 HydrophobicContact CG2-CG 4.06Å; I1106-L1108 PolarHBondContact O-N 2.91Å | ||
| 1107 | Q | 41.8 | Very low | 58.9 | Low | 173.2 Ų | 173.2 | 101.2 Ų | 101.2 | 81% | 0.809 | 56% | 0.561 | S | S | * | * | trans | -109.6 | 121.4 | -179.7 | -172.4 | 164.4 | -4.2 | 0 | 0 | 109.7 | D1109 | Q1107-D1109 HydrophobicContact CG-CB 4.42Å; Q1107-D1109 PolarHBondContact NE2-OD2 3.41Å | ||
| 1108 | L | 45.8 | Very low | 57.6 | Low | 150.4 Ų | 150.4 | 106.6 Ų | 106.6 | 79% | 0.787 | 57% | 0.572 | S | S | * | * | trans | -116.8 | 11.4 | -168.2 | -70 | 167.4 | 0 | 0 | 0 | 114.9 | I1106 P1110 | I1106-L1108 HydrophobicContact CG2-CD1 3.88Å; I1106-L1108 HydrophobicContact CG2-CD2 4.29Å; I1106-L1108 HydrophobicContact CG2-CG 4.06Å; I1106-L1108 PolarHBondContact O-N 2.91Å; L1108-P1110 WeakPolarHBondContact O-CD 3.24Å | ||
| 1109 | D | 44 | Very low | 56.2 | Low | 128.4 Ų | 128.4 | 109.6 Ų | 109.6 | 69% | 0.687 | 59% | 0.587 | S | S | * | * | trans | -59.1 | 135.9 | 175.3 | -74.2 | -38.9 | 0 | 0 | 0 | 113.8 | Q1107 C1111 | Q1107-D1109 HydrophobicContact CG-CB 4.42Å; Q1107-D1109 PolarHBondContact NE2-OD2 3.41Å; D1109-C1111 PolarHBondContact O-N 2.99Å; D1109-C1111 VanDerWaalsContact O-N 3.14Å; D1109-C1111 PolarHBondContact O-SG 3.15Å; D1109-C1111 VanDerWaalsContact O-SG 3.36Å | ||
| 1110 | P | 41.7 | Very low | 55 | Low | 95.8 Ų | 95.8 | 109.2 Ų | 109.2 | 62% | 0.622 | 59% | 0.586 | S | S | * | * | trans | -91.6 | 137.3 | -172 | 25.1 | -19.9 | 0 | 0 | 0 | 112.6 | L1108 Q1112 I1119 | L1108-P1110 WeakPolarHBondContact O-CD 3.24Å; P1110-Q1112 PolarHBondContact O-N 3.11Å; P1110-I1119 HydrophobicContact CB-CD1 4.25Å | ||
| 1111 | C | 44.3 | Very low | 54 | Low | 107.2 Ų | 107.2 | 114.4 Ų | 114.4 | 72% | 0.724 | 61% | 0.609 | S | S | * | * | trans | -59.6 | 74.6 | 168.2 | -69.7 | 0 | 0 | 0 | 0 | 117 | W896 D1109 | W896-C1111 HydrophobicContact CH2-CB 3.82Å; W896-C1111 WeakPolarHBondContact CH2-O 3.48Å; W896-C1111 HydrophobicContact CZ2-CB 3.83Å; W896-C1111 HydrophobicContact CZ3-CB 4.36Å; D1109-C1111 PolarHBondContact O-N 2.99Å; D1109-C1111 VanDerWaalsContact O-N 3.14Å; D1109-C1111 PolarHBondContact O-SG 3.15Å; D1109-C1111 VanDerWaalsContact O-SG 3.36Å | ||
| 1112 | Q | 42.8 | Very low | 53 | Low | 117.4 Ų | 117.4 | 118 Ų | 118 | 55% | 0.549 | 62% | 0.62 | S | S | . | * | trans | -133.9 | 130.9 | 161.1 | -91.5 | -96.1 | -29.8 | 0 | 0 | 110.3 | P1110 S1114 S1115 L1116 | P1110-Q1112 PolarHBondContact O-N 3.11Å; Q1112-S1114 VanDerWaalsContact C-N 3.33Å; Q1112-S1114 PolarHBondContact O-N 2.91Å; Q1112-S1114 VanDerWaalsContact O-N 3.1Å; Q1112-S1114 PolarHBondContact OE1-OG 3.01Å; Q1112-S1115 VanDerWaalsContact CB-OG 3.23Å; Q1112-S1115 WeakPolarHBondContact CB-OG 3.43Å; Q1112-S1115 CarbonylContact O-C 3.52Å; Q1112-S1115 VanDerWaalsContact O-CA 3.32Å; Q1112-S1115 WeakPolarHBondContact O-CA 3.4Å; Q1112-S1115 VanDerWaalsContact O-CB 3.25Å; Q1112-S1115 WeakPolarHBondContact O-CB 3.32Å; Q1112-S1115 PolarHBondContact O-N 2.93Å; Q1112-S1115 PolarHBondContact O-OG 2.95Å; Q1112-L1116 PolarHBondContact O-N 3.08Å | ||
| 1113 | P | 52.2 | Low | 52.5 | Low | 96 Ų | 96 | 122.4 Ų | 122.4 | 62% | 0.623 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.4 | -22.5 | -177.5 | -12.6 | 20 | 0 | 0 | 0 | 114.7 | S1115 L1116 | P1113-S1115 VanDerWaalsContact C-N 3.28Å; P1113-S1115 PolarHBondContact O-N 3.03Å; P1113-L1116 PolarHBondContact O-N 2.73Å |
| 1114 | S | 54.4 | Low | 52.2 | Low | 78.6 Ų | 78.6 | 118.2 Ų | 118.2 | 55% | 0.55 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.5 | -28.8 | 171.4 | 43.8 | 0 | 0 | 0 | 0 | 112.5 | Q1112 L1116 K1117 R1118 | Q1112-S1114 VanDerWaalsContact C-N 3.33Å; Q1112-S1114 PolarHBondContact O-N 2.91Å; Q1112-S1114 VanDerWaalsContact O-N 3.1Å; Q1112-S1114 PolarHBondContact OE1-OG 3.01Å; S1114-L1116 VanDerWaalsContact C-N 3.3Å; S1114-L1116 PolarHBondContact O-N 3.11Å; S1114-K1117 PolarHBondContact O-N 3.16Å; S1114-R1118 PolarHBondContact O-N 2.83Å |
| 1115 | S | 52.8 | Low | 51.9 | Low | 52 Ų | 52 | 115.8 Ų | 115.8 | 36% | 0.364 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.9 | -32.7 | 178.9 | -50.6 | 0 | 0 | 0 | 0 | 112.4 | Q1112 P1113 K1117 R1118 I1119 | Q1112-S1115 VanDerWaalsContact CB-OG 3.23Å; Q1112-S1115 WeakPolarHBondContact CB-OG 3.43Å; Q1112-S1115 CarbonylContact O-C 3.52Å; Q1112-S1115 VanDerWaalsContact O-CA 3.32Å; Q1112-S1115 WeakPolarHBondContact O-CA 3.4Å; Q1112-S1115 VanDerWaalsContact O-CB 3.25Å; Q1112-S1115 WeakPolarHBondContact O-CB 3.32Å; Q1112-S1115 PolarHBondContact O-N 2.93Å; Q1112-S1115 PolarHBondContact O-OG 2.95Å; P1113-S1115 VanDerWaalsContact C-N 3.28Å; P1113-S1115 PolarHBondContact O-N 3.03Å; S1115-K1117 VanDerWaalsContact C-N 3.29Å; S1115-K1117 PolarHBondContact O-N 2.99Å; S1115-R1118 CarbonylContact O-C 3.49Å; S1115-R1118 WeakPolarHBondContact O-CA 3.43Å; S1115-R1118 WeakPolarHBondContact O-CB 3.31Å; S1115-R1118 PolarHBondContact O-N 3Å; S1115-I1119 WeakPolarHBondContact O-CB 3.29Å; S1115-I1119 WeakPolarHBondContact O-CD1 3.26Å; S1115-I1119 VanDerWaalsContact O-CG1 3.26Å; S1115-I1119 WeakPolarHBondContact O-CG1 3.32Å; S1115-I1119 PolarHBondContact O-N 3.02Å; S1115-I1119 VanDerWaalsContact O-N 3.11Å |
| 1116 | L | 55.7 | Low | 52 | Low | 103.6 Ų | 103.6 | 114.6 Ų | 114.6 | 54% | 0.542 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -61.1 | -41.9 | 175.6 | -82.2 | 164.7 | 0 | 0 | 0 | 112.5 | Q1112 P1113 S1114 R1118 I1119 E1120 | Q1112-L1116 PolarHBondContact O-N 3.08Å; P1113-L1116 PolarHBondContact O-N 2.73Å; S1114-L1116 VanDerWaalsContact C-N 3.3Å; S1114-L1116 PolarHBondContact O-N 3.11Å; L1116-R1118 VanDerWaalsContact C-N 3.28Å; L1116-R1118 PolarHBondContact O-N 3.01Å; L1116-I1119 WeakPolarHBondContact O-CB 3.17Å; L1116-I1119 PolarHBondContact O-N 2.89Å; L1116-I1119 VanDerWaalsContact O-N 3.1Å; L1116-E1120 PolarHBondContact O-N 3.04Å |
| 1117 | K | 61.9 | Low | 52.3 | Low | 145.2 Ų | 145.2 | 114.2 Ų | 114.2 | 63% | 0.631 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.7 | -31.3 | 174.8 | -119.8 | -177.2 | -178.3 | -176.2 | 0 | 112.7 | S1114 S1115 I1119 E1120 E1121 | S1114-K1117 PolarHBondContact O-N 3.16Å; S1115-K1117 VanDerWaalsContact C-N 3.29Å; S1115-K1117 PolarHBondContact O-N 2.99Å; K1117-I1119 VanDerWaalsContact C-N 3.35Å; K1117-E1120 WeakPolarHBondContact CG-OE2 3.4Å; K1117-E1120 PolarHBondContact O-N 2.85Å; K1117-E1121 WeakPolarHBondContact O-CB 3.3Å; K1117-E1121 VanDerWaalsContact O-CG 3.3Å; K1117-E1121 WeakPolarHBondContact O-CG 3.39Å; K1117-E1121 PolarHBondContact O-N 2.79Å |
| 1118 | R | 61.5 | Low | 52.4 | Low | 157.6 Ų | 157.6 | 112.4 Ų | 112.4 | 60% | 0.595 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -73.3 | -34.7 | 175.9 | -155 | 67.8 | 173.8 | 154.8 | 1.1 | 111.5 | S1114 S1115 L1116 E1121 I1122 | S1114-R1118 PolarHBondContact O-N 2.83Å; S1115-R1118 CarbonylContact O-C 3.49Å; S1115-R1118 WeakPolarHBondContact O-CA 3.43Å; S1115-R1118 WeakPolarHBondContact O-CB 3.31Å; S1115-R1118 PolarHBondContact O-N 3Å; L1116-R1118 VanDerWaalsContact C-N 3.28Å; L1116-R1118 PolarHBondContact O-N 3.01Å; R1118-E1121 WeakPolarHBondContact CD-OE2 3.33Å; R1118-E1121 IonicContact CZ-OE2 3.32Å; R1118-E1121 IonicContact NE-OE2 3.31Å; R1118-E1121 IonicContact NH1-OE2 3.31Å; R1118-E1121 PolarHBondContact NH1-OE2 3.03Å; R1118-E1121 CarbonylContact O-C 3.51Å; R1118-E1121 PolarHBondContact O-N 3.07Å; R1118-I1122 HydrophobicContact CG-CD1 4.09Å; R1118-I1122 VanDerWaalsContact O-CB 3.29Å; R1118-I1122 WeakPolarHBondContact O-CB 3.32Å; R1118-I1122 VanDerWaalsContact O-CD1 3.3Å; R1118-I1122 WeakPolarHBondContact O-CD1 3.33Å; R1118-I1122 WeakPolarHBondContact O-CG1 3.33Å; R1118-I1122 PolarHBondContact O-N 3Å |
| 1119 | I | 60.1 | Low | 52.5 | Low | 68.6 Ų | 68.6 | 110.6 Ų | 110.6 | 35% | 0.352 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66 | -47.1 | 172.3 | -67.5 | 161.8 | 0 | 0 | 0 | 109.6 | P1110 S1115 L1116 K1117 E1121 I1122 E1123 | P1110-I1119 HydrophobicContact CB-CD1 4.25Å; S1115-I1119 WeakPolarHBondContact O-CB 3.29Å; S1115-I1119 WeakPolarHBondContact O-CD1 3.26Å; S1115-I1119 VanDerWaalsContact O-CG1 3.26Å; S1115-I1119 WeakPolarHBondContact O-CG1 3.32Å; S1115-I1119 PolarHBondContact O-N 3.02Å; S1115-I1119 VanDerWaalsContact O-N 3.11Å; L1116-I1119 WeakPolarHBondContact O-CB 3.17Å; L1116-I1119 PolarHBondContact O-N 2.89Å; L1116-I1119 VanDerWaalsContact O-N 3.1Å; K1117-I1119 VanDerWaalsContact C-N 3.35Å; I1119-E1121 VanDerWaalsContact C-N 3.32Å; I1119-E1121 PolarHBondContact O-N 3.09Å; I1119-I1122 CarbonylContact O-C 3.59Å; I1119-I1122 PolarHBondContact O-N 3.05Å; I1119-I1122 VanDerWaalsContact O-N 3.09Å; I1119-E1123 VanDerWaalsContact CG2-CD 3.42Å; I1119-E1123 HydrophobicContact CG2-CG 4.08Å; I1119-E1123 VanDerWaalsContact CG2-OE1 3.29Å; I1119-E1123 WeakPolarHBondContact CG2-OE1 3.34Å; I1119-E1123 WeakPolarHBondContact O-CB 3.34Å; I1119-E1123 WeakPolarHBondContact O-CG 3.3Å; I1119-E1123 PolarHBondContact O-N 2.84Å |
| 1120 | E | 64.1 | Low | 52.5 | Low | 135.8 Ų | 135.8 | 114 Ų | 114 | 64% | 0.635 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -58.8 | -35 | 172.8 | -72.9 | -177.7 | 147.2 | 0 | 0 | 113.2 | L1116 K1117 A1124 | L1116-E1120 PolarHBondContact O-N 3.04Å; K1117-E1120 WeakPolarHBondContact CG-OE2 3.4Å; K1117-E1120 PolarHBondContact O-N 2.85Å; E1120-A1124 WeakPolarHBondContact O-CB 3.07Å; E1120-A1124 PolarHBondContact O-N 3.08Å; E1120-A1124 VanDerWaalsContact O-N 3.09Å |
| 1121 | E | 65.2 | Low | 52.6 | Low | 117 Ų | 117 | 114 Ų | 114 | 55% | 0.547 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -73.1 | -26.7 | 174.6 | -78.5 | 176.5 | 175 | 0 | 0 | 113.6 | K1117 R1118 I1119 A1124 | K1117-E1121 WeakPolarHBondContact O-CB 3.3Å; K1117-E1121 VanDerWaalsContact O-CG 3.3Å; K1117-E1121 WeakPolarHBondContact O-CG 3.39Å; K1117-E1121 PolarHBondContact O-N 2.79Å; R1118-E1121 WeakPolarHBondContact CD-OE2 3.33Å; R1118-E1121 IonicContact CZ-OE2 3.32Å; R1118-E1121 IonicContact NE-OE2 3.31Å; R1118-E1121 IonicContact NH1-OE2 3.31Å; R1118-E1121 PolarHBondContact NH1-OE2 3.03Å; R1118-E1121 CarbonylContact O-C 3.51Å; R1118-E1121 PolarHBondContact O-N 3.07Å; I1119-E1121 VanDerWaalsContact C-N 3.32Å; I1119-E1121 PolarHBondContact O-N 3.09Å; E1121-A1124 WeakPolarHBondContact O-CB 3.43Å |
| 1122 | I | 59.4 | Low | 52.8 | Low | 127.8 Ų | 127.8 | 113.2 Ų | 113.2 | 66% | 0.655 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -90 | -33.1 | -179.4 | -70.2 | 165.2 | 0 | 0 | 0 | 111.4 | R1118 I1119 A1124 | R1118-I1122 HydrophobicContact CG-CD1 4.09Å; R1118-I1122 VanDerWaalsContact O-CB 3.29Å; R1118-I1122 WeakPolarHBondContact O-CB 3.32Å; R1118-I1122 VanDerWaalsContact O-CD1 3.3Å; R1118-I1122 WeakPolarHBondContact O-CD1 3.33Å; R1118-I1122 WeakPolarHBondContact O-CG1 3.33Å; R1118-I1122 PolarHBondContact O-N 3Å; I1119-I1122 CarbonylContact O-C 3.59Å; I1119-I1122 PolarHBondContact O-N 3.05Å; I1119-I1122 VanDerWaalsContact O-N 3.09Å; I1122-A1124 VanDerWaalsContact C-N 3.29Å; I1122-A1124 PolarHBondContact O-N 2.82Å |
| 1123 | E | 59 | Low | 53.3 | Low | 147.4 Ų | 147.4 | 113.6 Ų | 113.6 | 69% | 0.689 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -77.9 | -12.3 | 174.6 | -68.7 | -179.2 | 165.3 | 0 | 0 | 112.8 | I1119 P1125 | I1119-E1123 VanDerWaalsContact CG2-CD 3.42Å; I1119-E1123 HydrophobicContact CG2-CG 4.08Å; I1119-E1123 VanDerWaalsContact CG2-OE1 3.29Å; I1119-E1123 WeakPolarHBondContact CG2-OE1 3.34Å; I1119-E1123 WeakPolarHBondContact O-CB 3.34Å; I1119-E1123 WeakPolarHBondContact O-CG 3.3Å; I1119-E1123 PolarHBondContact O-N 2.84Å; E1123-P1125 WeakPolarHBondContact O-CD 3.38Å |
| 1124 | A | 53.4 | Low | 53.1 | Low | 54 Ų | 54 | 117.3 Ų | 117.3 | 45% | 0.446 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -65.6 | 127.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | E1120 E1121 I1122 G1126 | E1120-A1124 WeakPolarHBondContact O-CB 3.07Å; E1120-A1124 PolarHBondContact O-N 3.08Å; E1120-A1124 VanDerWaalsContact O-N 3.09Å; E1121-A1124 WeakPolarHBondContact O-CB 3.43Å; I1122-A1124 VanDerWaalsContact C-N 3.29Å; I1122-A1124 PolarHBondContact O-N 2.82Å; A1124-G1126 VanDerWaalsContact C-N 3.27Å; A1124-G1126 PolarHBondContact O-N 3.24Å; A1124-G1126 VanDerWaalsContact O-N 3.07Å |
| 1125 | P | 45 | Very low | 53.2 | Low | 136.8 Ų | 136.8 | 118.2 Ų | 118.2 | 89% | 0.888 | 67% | 0.674 | S | S | * | * | trans | -69.2 | 97.9 | -174.3 | 25.8 | -33.3 | 0 | 0 | 0 | 111.8 | E1123 V1127 | E1123-P1125 WeakPolarHBondContact O-CD 3.38Å; P1125-V1127 PolarHBondContact O-N 3.25Å | ||
| 1126 | G | 44.1 | Very low | 53.8 | Low | 66 Ų | 66 | 122.1 Ų | 122.1 | 68% | 0.68 | 70% | 0.695 | S | S | * | * | trans | -112.3 | 110 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1124 V1128 | A1124-G1126 VanDerWaalsContact C-N 3.27Å; A1124-G1126 PolarHBondContact O-N 3.24Å; A1124-G1126 VanDerWaalsContact O-N 3.07Å; G1126-V1128 PolarHBondContact O-N 3.08Å; G1126-V1128 VanDerWaalsContact O-N 3.16Å | ||
| 1127 | V | 48.1 | Very low | 54.4 | Low | 139.2 Ų | 139.2 | 120.2 Ų | 120.2 | 84% | 0.844 | 68% | 0.683 | S | S | * | * | trans | -29.5 | 116.7 | 156.7 | -174.1 | 0 | 0 | 0 | 0 | 112.6 | P1125 P1129 | P1125-V1127 PolarHBondContact O-N 3.25Å; V1127-P1129 WeakPolarHBondContact O-CD 3.31Å; V1127-P1129 WeakPolarHBondContact O-CG 3.3Å | ||
| 1128 | V | 45 | Very low | 55.4 | Low | 134.6 Ų | 134.6 | 117.2 Ų | 117.2 | 82% | 0.816 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 119.6 | -177.6 | -176.7 | 0 | 0 | 0 | 0 | 112.1 | G1126 | G1126-V1128 PolarHBondContact O-N 3.08Å; G1126-V1128 VanDerWaalsContact O-N 3.16Å |
| 1129 | P | 48.7 | Very low | 56.6 | Low | 113.4 Ų | 113.4 | 112.3 Ų | 112.3 | 74% | 0.736 | 67% | 0.667 | S | S | * | * | trans | -85.4 | 154.1 | 164.7 | -4 | 24 | 0 | 0 | 0 | 111.2 | V1127 A1131 | V1127-P1129 WeakPolarHBondContact O-CD 3.31Å; V1127-P1129 WeakPolarHBondContact O-CG 3.3Å; P1129-A1131 PolarHBondContact O-N 2.84Å | ||
| 1130 | E | 43.9 | Very low | 57.9 | Low | 200.6 Ų | 200.6 | 109.3 Ų | 109.3 | 94% | 0.937 | 65% | 0.652 | S | S | * | * | trans | -60.4 | 138.7 | -173.6 | -139.5 | 166.1 | 174.4 | 0 | 0 | 114.2 | A1132 | E1130-A1132 PolarHBondContact O-N 3.38Š| ||
| 1131 | A | 43.3 | Very low | 59.2 | Low | 96 Ų | 96 | 107.8 Ų | 107.8 | 79% | 0.793 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 144 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P1129 | P1129-A1131 PolarHBondContact O-N 2.84Š|
| 1132 | A | 47.7 | Very low | 60.3 | Low | 89.6 Ų | 89.6 | 102.9 Ų | 102.9 | 74% | 0.74 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 147.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | E1130 E1134 | E1130-A1132 PolarHBondContact O-N 3.38Å; A1132-E1134 PolarHBondContact O-N 2.79Å |
| 1133 | P | 52.8 | Low | 61.7 | Low | 126.4 Ų | 126.4 | 100.7 Ų | 100.7 | 82% | 0.821 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 139.3 | -177.3 | 27.6 | -33.8 | 0 | 0 | 0 | 112.3 | ||
| 1134 | E | 49.4 | Very low | 63.2 | Low | 172.6 Ų | 172.6 | 96.7 Ų | 96.7 | 81% | 0.807 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 146 | 175.8 | -64.5 | 179.4 | 162.9 | 0 | 0 | 112 | A1132 V1136 | A1132-E1134 PolarHBondContact O-N 2.79Å; E1134-V1136 WeakPolarHBondContact O-CG2 3.43Å; E1134-V1136 PolarHBondContact O-N 2.94Å |
| 1135 | P | 56.5 | Low | 65 | Low | 99 Ų | 99 | 98.8 Ų | 98.8 | 64% | 0.643 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 124.1 | 177.1 | 26 | -33 | 0 | 0 | 0 | 111 | F1137 | P1135-F1137 HydrophobicContact CB-CE2 4.35Å; P1135-F1137 HydrophobicContact CB-CZ 4.26Å; P1135-F1137 HydrophobicContact CG-CE2 4.12Å; P1135-F1137 HydrophobicContact CG-CZ 3.95Å; P1135-F1137 VanDerWaalsContact O-CD2 3.3Å; P1135-F1137 WeakPolarHBondContact O-CD2 3.41Å; P1135-F1137 WeakPolarHBondContact O-CE2 3.42Å; P1135-F1137 PolarHBondContact O-N 3.21Å |
| 1136 | V | 64.1 | Low | 67.2 | Low | 132.4 Ų | 132.4 | 92.7 Ų | 92.7 | 80% | 0.802 | 56% | 0.558 | S | S | * | * | trans | -86.4 | 104.1 | 179.7 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | E1134 T1138 | E1134-V1136 WeakPolarHBondContact O-CG2 3.43Å; E1134-V1136 PolarHBondContact O-N 2.94Å; V1136-T1138 PolarHBondContact O-N 2.89Å | ||
| 1137 | F | 69.7 | Low | 69.4 | Low | 64 Ų | 64 | 95.3 Ų | 95.3 | 28% | 0.281 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -71.6 | 144.4 | 172.3 | -60.3 | -79.5 | 0 | 0 | 0 | 111 | P1135 P1165 N1167 D1168 P1169 M1220 | P1135-F1137 HydrophobicContact CB-CE2 4.35Å; P1135-F1137 HydrophobicContact CB-CZ 4.26Å; P1135-F1137 HydrophobicContact CG-CE2 4.12Å; P1135-F1137 HydrophobicContact CG-CZ 3.95Å; P1135-F1137 VanDerWaalsContact O-CD2 3.3Å; P1135-F1137 WeakPolarHBondContact O-CD2 3.41Å; P1135-F1137 WeakPolarHBondContact O-CE2 3.42Å; P1135-F1137 PolarHBondContact O-N 3.21Å; F1137-P1165 HydrophobicContact CB-CG 4.34Å; F1137-P1165 HydrophobicContact CD1-CB 4.33Å; F1137-P1165 HydrophobicContact CD1-CG 4.13Å; F1137-N1167 WeakPolarHBondContact CE1-O 3.13Å; F1137-D1168 HydrophobicContact CB-CB 4.36Å; F1137-D1168 WeakPolarHBondContact CB-OD2 3.29Å; F1137-D1168 HydrophobicContact CD1-CB 3.75Å; F1137-D1168 HydrophobicContact CD2-CB 4.41Å; F1137-D1168 HydrophobicContact CE1-CB 4.05Å; F1137-D1168 HydrophobicContact CG-CB 3.93Å; F1137-D1168 HydrophobicContact CZ-CB 4.44Å; F1137-P1169 HydrophobicContact CE2-CG 4.45Å; F1137-P1169 HydrophobicContact CZ-CG 4.49Å; F1137-M1220 HydrophobicContact CB-CG 4.23Å; F1137-M1220 WeakPolarHBondContact O-CG 3.33Å |
| 1138 | T | 82.5 | Confident | 71.4 | Confident | 81.6 Ų | 81.6 | 92.2 Ų | 92.2 | 50% | 0.501 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -101.7 | 167.2 | 174.3 | 53.4 | 0 | 0 | 0 | 0 | 110.7 | V1136 N1218 | V1136-T1138 PolarHBondContact O-N 2.89Å; T1138-N1218 PolarHBondContact O-ND2 3.08Å |
| 1139 | S | 85.9 | Confident | 73.5 | Confident | 55 Ų | 55 | 87.5 Ų | 87.5 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 144 | 168.7 | -29.7 | 0 | 0 | 0 | 0 | 110.3 | M1220 | S1139-M1220 WeakPolarHBondContact CB-O 3.48Å; S1139-M1220 PolarHBondContact OG-O 3.1Å |
| 1140 | P | 88.6 | Confident | 75.5 | Confident | 6.8 Ų | 6.8 | 87.3 Ų | 87.3 | 4% | 0.044 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 145.2 | -178.7 | 26 | -34.9 | 0 | 0 | 0 | 111 | V1163 E1164 M1171 V1216 N1218 G1221 A1223 | P1140-V1163 HydrophobicContact CB-CG2 3.64Å; P1140-E1164 CarbonylContact C-O 3.51Å; P1140-E1164 WeakPolarHBondContact CA-O 3.3Å; P1140-M1171 HydrophobicContact CB-CE 4.1Å; P1140-M1171 HydrophobicContact CB-SD 3.92Å; P1140-M1171 HydrophobicContact CG-SD 4.33Å; P1140-V1216 HydrophobicContact CB-CB 4.47Å; P1140-V1216 HydrophobicContact CB-CG1 4.26Å; P1140-V1216 VanDerWaalsContact CG-O 3.32Å; P1140-V1216 WeakPolarHBondContact CG-O 3.4Å; P1140-N1218 VanDerWaalsContact CD-CG 3.5Å; P1140-N1218 VanDerWaalsContact CD-OD1 3.31Å; P1140-N1218 WeakPolarHBondContact CD-OD1 3.3Å; P1140-G1221 WeakPolarHBondContact CD-O 3.39Å; P1140-A1223 HydrophobicContact CB-CB 4.34Å; P1140-A1223 HydrophobicContact CG-CB 4.24Å; P1140-A1223 VanDerWaalsContact O-CB 3.32Å; P1140-A1223 WeakPolarHBondContact O-CB 3.32Å |
| 1141 | I | 90.3 | Very high | 77.5 | Confident | 103.2 Ų | 103.2 | 79.8 Ų | 79.8 | 53% | 0.529 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 119.6 | 176 | -60.3 | 174 | 0 | 0 | 0 | 107.1 | V1143 V1163 E1164 | I1141-V1143 HydrophobicContact CG2-CG1 4.39Å; I1141-V1143 WeakPolarHBondContact O-CG2 3.25Å; I1141-V1143 PolarHBondContact O-N 3.03Å; I1141-V1143 VanDerWaalsContact O-N 3.15Å; I1141-V1163 CarbonylContact O-C 3.52Å; I1141-V1163 WeakPolarHBondContact O-CA 3.36Å; I1141-E1164 PolarHBondContact N-O 3.37Å; I1141-E1164 PolarHBondContact O-N 3.14Å |
| 1142 | I | 89.9 | Confident | 79.4 | Confident | 13.8 Ų | 13.8 | 79.9 Ų | 79.9 | 7% | 0.071 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 101.2 | 174.2 | -64.3 | 172.4 | 0 | 0 | 0 | 108.2 | Q1144 Q1145 C1161 R1162 V1216 A1223 | I1142-Q1144 WeakPolarHBondContact CG2-O 3.31Å; I1142-Q1145 PolarHBondContact O-NE2 3.01Å; I1142-Q1145 VanDerWaalsContact O-NE2 3.17Å; I1142-C1161 HydrophobicContact CG2-CB 4.08Å; I1142-R1162 CarbonylContact C-O 3.49Å; I1142-R1162 VanDerWaalsContact CA-O 3.25Å; I1142-R1162 WeakPolarHBondContact CA-O 3.29Å; I1142-V1216 HydrophobicContact CD1-CG2 4.1Å; I1142-V1216 HydrophobicContact CG1-CG2 4.37Å; I1142-A1223 HydrophobicContact CD1-CB 3.98Å; I1142-A1223 HydrophobicContact CG1-CB 3.85Å |
| 1143 | V | 88.8 | Confident | 81.2 | Confident | 83 Ų | 83 | 78.9 Ų | 78.9 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | -33.6 | -175.9 | -134.2 | 0 | 0 | 0 | 0 | 112 | I1141 R1162 E1164 | I1141-V1143 HydrophobicContact CG2-CG1 4.39Å; I1141-V1143 WeakPolarHBondContact O-CG2 3.25Å; I1141-V1143 PolarHBondContact O-N 3.03Å; I1141-V1143 VanDerWaalsContact O-N 3.15Å; V1143-R1162 HydrophobicContact CG2-CB 3.62Å; V1143-R1162 VanDerWaalsContact CG2-O 3.28Å; V1143-R1162 WeakPolarHBondContact CG2-O 3.24Å; V1143-R1162 PolarHBondContact N-O 3.14Å; V1143-E1164 HydrophobicContact CG1-CB 4.26Å; V1143-E1164 HydrophobicContact CG1-CG 3.91Å; V1143-E1164 HydrophobicContact CG2-CB 3.94Å; V1143-E1164 HydrophobicContact CG2-CG 3.91Å |
| 1144 | Q | 88.6 | Confident | 82.5 | Confident | 62.2 Ų | 62.2 | 74.9 Ų | 74.9 | 29% | 0.291 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 118.1 | 173 | -176.1 | -178.7 | -7.8 | 0 | 0 | 108.2 | I1142 E1160 C1161 R1162 | I1142-Q1144 WeakPolarHBondContact CG2-O 3.31Å; Q1144-E1160 PolarHBondContact NE2-OE1 2.96Å; Q1144-C1161 VanDerWaalsContact O-CA 3.25Å; Q1144-C1161 WeakPolarHBondContact O-CA 3.42Å; Q1144-C1161 WeakPolarHBondContact O-CB 3.37Å; Q1144-R1162 HydrophobicContact CB-CB 3.94Å; Q1144-R1162 HydrophobicContact CB-CG 4.25Å; Q1144-R1162 PolarHBondContact N-O 3.13Å; Q1144-R1162 PolarHBondContact O-N 2.9Å; Q1144-R1162 VanDerWaalsContact O-N 3.11Å; Q1144-R1162 VanDerWaalsContact OE1-CD 3.29Å |
| 1145 | Q | 91.4 | Very high | 84.1 | Confident | 98.2 Ų | 98.2 | 70.1 Ų | 70.1 | 46% | 0.459 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 158.7 | 178.5 | -60.6 | -69.3 | -42.7 | 0 | 0 | 110.6 | I1142 S1225 | I1142-Q1145 PolarHBondContact O-NE2 3.01Å; I1142-Q1145 VanDerWaalsContact O-NE2 3.17Å; Q1145-S1225 VanDerWaalsContact OE1-CB 3.27Å; Q1145-S1225 PolarHBondContact OE1-OG 2.82Å; Q1145-S1225 VanDerWaalsContact OE1-OG 3.1Å |
| 1146 | M | 92 | Very high | 85.7 | Confident | 8.8 Ų | 8.8 | 69.2 Ų | 69.2 | 4% | 0.043 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -76 | 139.4 | 173.4 | -56.9 | -178.2 | -54.1 | 0 | 0 | 111.3 | F1159 E1160 C1161 W1175 Y1212 C1214 S1225 A1227 | M1146-F1159 HydrophobicContact CB-CD1 4.47Å; M1146-F1159 HydrophobicContact SD-CB 4.13Å; M1146-E1160 WeakPolarHBondContact CA-O 3.27Å; M1146-E1160 WeakPolarHBondContact CG-O 3.42Å; M1146-C1161 HydrophobicContact CG-CB 3.78Å; M1146-W1175 HydrophobicContact CE-CZ3 4.12Å; M1146-W1175 HydrophobicContact SD-CE3 4.36Å; M1146-W1175 HydrophobicContact SD-CH2 3.27Å; M1146-W1175 WeakPolarHBondContact SD-CH2 3.37Å; M1146-W1175 HydrophobicContact SD-CZ2 4.42Å; M1146-W1175 HydrophobicContact SD-CZ3 3.34Å; M1146-W1175 WeakPolarHBondContact SD-CZ3 3.29Å; M1146-Y1212 VanDerWaalsContact CE-O 3.28Å; M1146-Y1212 WeakPolarHBondContact CE-O 3.35Å; M1146-C1214 HydrophobicContact CE-CB 3.91Å; M1146-C1214 HydrophobicContact SD-CB 3.78Å; M1146-S1225 VanDerWaalsContact CE-C 3.48Å; M1146-S1225 VanDerWaalsContact CE-O 3.28Å; M1146-S1225 WeakPolarHBondContact CE-O 3.38Å; M1146-S1225 PolarHBondContact N-OG 2.94Å; M1146-S1225 VanDerWaalsContact N-OG 3.1Å; M1146-A1227 HydrophobicContact CB-CB 3.71Å; M1146-A1227 HydrophobicContact CE-CB 4.07Å |
| 1147 | D | 89.4 | Confident | 87 | Confident | 121 Ų | 121 | 63 Ų | 63 | 65% | 0.647 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -87.2 | 145.3 | 173.3 | -74.3 | -48.3 | 0 | 0 | 0 | 112.2 | F1159 A1227 | D1147-F1159 WeakPolarHBondContact O-CD1 3.33Å; D1147-F1159 WeakPolarHBondContact O-CE1 3.3Å; D1147-A1227 VanDerWaalsContact O-CB 3.31Å; D1147-A1227 WeakPolarHBondContact O-CB 3.3Å |
| 1148 | S | 91.4 | Very high | 88.1 | Confident | 74.4 Ų | 74.4 | 63.5 Ų | 63.5 | 52% | 0.52 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 135 | 172.9 | -61.9 | 0 | 0 | 0 | 0 | 110.5 | N1228 | S1148-N1228 CarbonylContact C-O 3.5Å; S1148-N1228 WeakPolarHBondContact CA-O 3.38Å; S1148-N1228 WeakPolarHBondContact CB-O 3.27Å; S1148-N1228 PolarHBondContact OG-N 2.98Å |
| 1149 | V | 89.6 | Confident | 88.6 | Confident | 35.6 Ų | 35.6 | 59.7 Ų | 59.7 | 22% | 0.216 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 150.6 | -169.7 | -63.6 | 0 | 0 | 0 | 0 | 112.6 | V1157 F1159 N1228 L1229 T1230 | V1149-V1157 HydrophobicContact CG2-CG1 3.66Å; V1149-F1159 HydrophobicContact CG2-CE1 3.74Å; V1149-F1159 HydrophobicContact CG2-CZ 3.84Å; V1149-N1228 PolarHBondContact N-O 3.08Å; V1149-L1229 HydrophobicContact CG2-CD1 3.93Å; V1149-L1229 WeakPolarHBondContact O-CA 3.45Å; V1149-T1230 PolarHBondContact O-N 3.1Å |
| 1150 | Q | 89.4 | Confident | 89 | Confident | 110 Ų | 110 | 59.8 Ų | 59.8 | 51% | 0.514 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 119.2 | 179.2 | -176.7 | 173.2 | 24.6 | 0 | 0 | 109.5 | T1230 L1232 | Q1150-T1230 WeakPolarHBondContact CA-O 3.37Å; Q1150-T1230 HydrophobicContact CG-CG2 4.29Å; Q1150-L1232 HydrophobicContact CG-CD1 4.06Å; Q1150-L1232 HydrophobicContact CG-CG 4.11Å; Q1150-L1232 VanDerWaalsContact NE2-CD1 3.3Å |
| 1151 | H | 85.8 | Confident | 89.2 | Confident | 42 Ų | 42 | 59.5 Ų | 59.5 | 19% | 0.194 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 160.3 | -176.3 | -80.5 | -81.7 | 0 | 0 | 0 | 111.2 | Q1155 P1156 V1157 T1230 V1231 L1232 | H1151-Q1155 HydrophobicContact CB-CB 4.27Å; H1151-Q1155 PolarHBondContact ND1-OE1 2.93Å; H1151-Q1155 VanDerWaalsContact ND1-OE1 3.14Å; H1151-P1156 PolarHBondContact CE1-O 3.09Å; H1151-P1156 VanDerWaalsContact CE1-O 3.3Å; H1151-P1156 PolarHBondContact ND1-O 3.08Å; H1151-V1157 HydrophobicContact CB-CG2 4.26Å; H1151-T1230 PolarHBondContact N-O 3.07Å; H1151-T1230 VanDerWaalsContact N-O 3.09Å; H1151-V1231 CarbonylContact O-C 3.5Å; H1151-V1231 VanDerWaalsContact O-CA 3.29Å; H1151-V1231 WeakPolarHBondContact O-CA 3.25Å; H1151-L1232 PolarHBondContact O-N 2.9Å |
| 1152 | Y | 83.8 | Confident | 89.2 | Confident | 97.4 Ų | 97.4 | 60.7 Ų | 60.7 | 38% | 0.382 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 149.5 | 169.3 | -67.4 | -75.4 | 0 | 0 | 0 | 110.6 | G1154 Q1155 S1204 L1232 R1234 L1238 A1240 N1301 | Y1152-G1154 PolarHBondContact O-N 3.07Å; Y1152-Q1155 VanDerWaalsContact N-OE1 3.08Å; Y1152-Q1155 VanDerWaalsContact O-CB 3.26Å; Y1152-Q1155 WeakPolarHBondContact O-CB 3.23Å; Y1152-Q1155 WeakPolarHBondContact O-CG 3.2Å; Y1152-Q1155 PolarHBondContact O-N 2.93Å; Y1152-Q1155 VanDerWaalsContact O-N 3.11Å; Y1152-S1204 PolarHBondContact O-OG 3.11Å; Y1152-L1232 WeakPolarHBondContact CA-O 3.49Å; Y1152-L1232 HydrophobicContact CD1-CB 3.73Å; Y1152-L1232 HydrophobicContact CD1-CD1 4.31Å; Y1152-L1232 HydrophobicContact CE1-CB 3.95Å; Y1152-L1232 HydrophobicContact CE1-CD1 3.75Å; Y1152-L1232 HydrophobicContact CE1-CG 4.43Å; Y1152-L1232 HydrophobicContact CG-CB 4.48Å; Y1152-R1234 HydrophobicContact CD1-CG 4.28Å; Y1152-L1238 HydrophobicContact CD1-CD1 3.3Å; Y1152-L1238 HydrophobicContact CD1-CD2 3.79Å; Y1152-L1238 HydrophobicContact CD1-CG 4.07Å; Y1152-L1238 HydrophobicContact CD2-CD1 3.93Å; Y1152-L1238 HydrophobicContact CE1-CB 4.23Å; Y1152-L1238 HydrophobicContact CE1-CD1 3.67Å; Y1152-L1238 HydrophobicContact CE1-CD2 3.48Å; Y1152-L1238 VanDerWaalsContact CE1-CD2 3.48Å; Y1152-L1238 HydrophobicContact CE1-CG 3.96Å; Y1152-L1238 HydrophobicContact CE2-CB 4.5Å; Y1152-L1238 HydrophobicContact CE2-CD1 4.21Å; Y1152-L1238 HydrophobicContact CG-CD1 3.45Å; Y1152-L1238 VanDerWaalsContact CG-CD1 3.45Å; Y1152-A1240 PolarHBondContact OH-O 2.88Å; Y1152-N1301 WeakPolarHBondContact CE1-OD1 3.31Å; Y1152-N1301 PolarHBondContact OH-OD1 2.82Å |
| 1153 | E | 84.4 | Confident | 89.3 | Confident | 69.4 Ų | 69.4 | 60.2 Ų | 60.2 | 32% | 0.324 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | 130.5 | 173.1 | 176.8 | 174.9 | -152.1 | 0 | 0 | 111.9 | S1204 P1206 V1231 L1232 G1233 R1234 | E1153-S1204 CarbonylContact C-O 3.52Å; E1153-S1204 WeakPolarHBondContact CA-O 3.25Å; E1153-P1206 HydrophobicContact CG-CG 4.49Å; E1153-P1206 VanDerWaalsContact OE1-CD 3.28Å; E1153-P1206 WeakPolarHBondContact OE1-CD 3.36Å; E1153-V1231 HydrophobicContact CB-CG1 4.26Å; E1153-L1232 PolarHBondContact N-O 3.09Å; E1153-L1232 VanDerWaalsContact N-O 3.12Å; E1153-G1233 VanDerWaalsContact OE2-CA 3.29Å; E1153-G1233 WeakPolarHBondContact OE2-CA 3.25Å; E1153-R1234 HydrophobicContact CB-CG 4.2Å; E1153-R1234 PolarHBondContact O-NE 2.87Å; E1153-R1234 PolarHBondContact O-NH2 2.69Å; E1153-R1234 PolarHBondContact OE2-N 2.94Å |
| 1154 | G | 80.1 | Confident | 89.2 | Confident | 42 Ų | 42 | 61.8 Ų | 61.8 | 43% | 0.433 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | -11.6 | -175 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y1152 S1204 | Y1152-G1154 PolarHBondContact O-N 3.07Å; G1154-S1204 PolarHBondContact N-O 3.01Å |
| 1155 | Q | 83.7 | Confident | 89.1 | Confident | 73 Ų | 73 | 60.3 Ų | 60.3 | 34% | 0.341 | 31% | 0.308 | S | S | . | . | trans | -79.8 | 148.5 | 177.3 | -70.8 | -154.5 | -42 | 0 | 0 | 112.5 | H1151 Y1152 Y1203 S1204 | H1151-Q1155 HydrophobicContact CB-CB 4.27Å; H1151-Q1155 PolarHBondContact ND1-OE1 2.93Å; H1151-Q1155 VanDerWaalsContact ND1-OE1 3.14Å; Y1152-Q1155 VanDerWaalsContact N-OE1 3.08Å; Y1152-Q1155 VanDerWaalsContact O-CB 3.26Å; Y1152-Q1155 WeakPolarHBondContact O-CB 3.23Å; Y1152-Q1155 WeakPolarHBondContact O-CG 3.2Å; Y1152-Q1155 PolarHBondContact O-N 2.93Å; Y1152-Q1155 VanDerWaalsContact O-N 3.11Å; Q1155-Y1203 CarbonylContact O-C 3.49Å; Q1155-Y1203 WeakPolarHBondContact O-CA 3.48Å; Q1155-S1204 WeakPolarHBondContact O-CB 3.38Å; Q1155-S1204 PolarHBondContact O-N 2.95Å; Q1155-S1204 PolarHBondContact O-OG 3.32Å | ||
| 1156 | P | 90 | Very high | 88.5 | Confident | 79 Ų | 79 | 57.4 Ų | 57.4 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | trans | -69.3 | 152.3 | 169.1 | 30.4 | -34.7 | 0 | 0 | 0 | 111.2 | H1151 V1201 A1202 | H1151-P1156 PolarHBondContact CE1-O 3.09Å; H1151-P1156 VanDerWaalsContact CE1-O 3.3Å; H1151-P1156 PolarHBondContact ND1-O 3.08Å; P1156-V1201 CarbonylContact C-O 3.55Å; P1156-V1201 VanDerWaalsContact CA-O 3.22Å; P1156-V1201 WeakPolarHBondContact CA-O 3.2Å; P1156-A1202 WeakPolarHBondContact CB-O 3.48Å | ||
| 1157 | V | 91.4 | Very high | 87.6 | Confident | 3.6 Ų | 3.6 | 62 Ų | 62 | 2% | 0.022 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 138.6 | 178.7 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | V1149 H1151 F1159 D1200 V1201 L1229 | V1149-V1157 HydrophobicContact CG2-CG1 3.66Å; H1151-V1157 HydrophobicContact CB-CG2 4.26Å; V1157-F1159 HydrophobicContact CG1-CD2 4.36Å; V1157-F1159 HydrophobicContact CG1-CE2 3.87Å; V1157-F1159 HydrophobicContact CG1-CZ 4.13Å; V1157-D1200 CarbonylContact O-C 3.49Å; V1157-D1200 WeakPolarHBondContact O-CA 3.24Å; V1157-V1201 HydrophobicContact CB-CB 3.95Å; V1157-V1201 HydrophobicContact CB-CG2 4.07Å; V1157-V1201 HydrophobicContact CG2-CB 4.33Å; V1157-V1201 PolarHBondContact N-O 3.09Å; V1157-V1201 PolarHBondContact O-N 3.07Å; V1157-L1229 HydrophobicContact CB-CD1 4.47Å; V1157-L1229 HydrophobicContact CG1-CD1 3.84Å; V1157-L1229 HydrophobicContact CG1-CD2 4.35Å; V1157-L1229 HydrophobicContact CG2-CD1 3.9Å; V1157-L1229 HydrophobicContact CG2-CD2 4.16Å |
| 1158 | H | 93.3 | Very high | 87.3 | Confident | 73 Ų | 73 | 56.7 Ų | 56.7 | 34% | 0.338 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 129.2 | 176.9 | -176.3 | 78.9 | 0 | 0 | 0 | 110.5 | E1160 Y1196 D1200 | H1158-E1160 IonicContact NE2-OE2 3.49Å; H1158-Y1196 PolarHBondContact NE2-OH 3.36Å; H1158-D1200 IonicContact CE1-OD1 3.01Å; H1158-D1200 PolarHBondContact CE1-OD1 3.28Å; H1158-D1200 IonicContact CE1-OD2 3.29Å; H1158-D1200 IonicContact CG-OD1 2.99Å; H1158-D1200 VanDerWaalsContact ND1-CG 3.28Å; H1158-D1200 IonicContact ND1-OD1 3.01Å; H1158-D1200 PolarHBondContact ND1-OD1 3Å; H1158-D1200 IonicContact ND1-OD2 3.19Å; H1158-D1200 PolarHBondContact ND1-OD2 3.02Å |
| 1159 | F | 93.9 | Very high | 86.6 | Confident | 2.2 Ų | 2.2 | 58.4 Ų | 58.4 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 128.6 | 168.7 | -66.8 | -69.3 | 0 | 0 | 0 | 109.5 | M1146 D1147 V1149 V1157 W1175 S1198 L1199 Y1212 A1227 L1229 | M1146-F1159 HydrophobicContact CB-CD1 4.47Å; M1146-F1159 HydrophobicContact SD-CB 4.13Å; D1147-F1159 WeakPolarHBondContact O-CD1 3.33Å; D1147-F1159 WeakPolarHBondContact O-CE1 3.3Å; V1149-F1159 HydrophobicContact CG2-CE1 3.74Å; V1149-F1159 HydrophobicContact CG2-CZ 3.84Å; V1157-F1159 HydrophobicContact CG1-CD2 4.36Å; V1157-F1159 HydrophobicContact CG1-CE2 3.87Å; V1157-F1159 HydrophobicContact CG1-CZ 4.13Å; F1159-W1175 HydrophobicContact CB-CH2 3.98Å; F1159-W1175 HydrophobicContact CB-CZ3 4.33Å; F1159-S1198 CarbonylContact O-C 3.54Å; F1159-S1198 WeakPolarHBondContact O-CA 3.35Å; F1159-S1198 WeakPolarHBondContact O-CB 3.2Å; F1159-L1199 HydrophobicContact CB-CB 4.42Å; F1159-L1199 HydrophobicContact CD2-CD2 4.35Å; F1159-L1199 PolarHBondContact N-O 3.1Å; F1159-L1199 PolarHBondContact O-N 3.1Å; F1159-Y1212 HydrophobicContact CD2-CD1 4.39Å; F1159-Y1212 HydrophobicContact CD2-CG 4.4Å; F1159-Y1212 HydrophobicContact CE2-CD1 4.29Å; F1159-Y1212 AromaticContact CE2-CD2 3.81Å; F1159-Y1212 HydrophobicContact CE2-CD2 3.81Å; F1159-Y1212 HydrophobicContact CE2-CE1 4.46Å; F1159-Y1212 HydrophobicContact CE2-CE2 4.21Å; F1159-Y1212 AromaticContact CE2-CG 3.86Å; F1159-Y1212 HydrophobicContact CE2-CG 3.86Å; F1159-Y1212 AromaticContact CZ-CD2 3.93Å; F1159-Y1212 HydrophobicContact CZ-CD2 4.05Å; F1159-Y1212 HydrophobicContact CZ-CG 4.36Å; F1159-A1227 HydrophobicContact CD1-CB 3.9Å; F1159-A1227 HydrophobicContact CE1-CB 3.63Å; F1159-L1229 HydrophobicContact CE2-CB 4.47Å; F1159-L1229 HydrophobicContact CZ-CB 4.03Å |
| 1160 | E | 93.2 | Very high | 86.3 | Confident | 57.4 Ų | 57.4 | 59 Ų | 59 | 27% | 0.268 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 148 | 172.9 | 57.5 | 162.8 | -149.5 | 0 | 0 | 112.3 | Q1144 M1146 H1158 Y1196 I1197 | Q1144-E1160 PolarHBondContact NE2-OE1 2.96Å; M1146-E1160 WeakPolarHBondContact CA-O 3.27Å; M1146-E1160 WeakPolarHBondContact CG-O 3.42Å; H1158-E1160 IonicContact NE2-OE2 3.49Å; E1160-Y1196 HydrophobicContact CB-CE2 4.08Å; E1160-Y1196 WeakPolarHBondContact OE2-CE2 3.3Å; E1160-Y1196 PolarHBondContact OE2-OH 3.26Å; E1160-I1197 CarbonylContact C-O 3.54Å; E1160-I1197 WeakPolarHBondContact CA-O 3.21Å |
| 1161 | C | 92.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 163.3 | 166.9 | 61.1 | 0 | 0 | 0 | 0 | 110.7 | I1142 Q1144 M1146 I1197 C1214 | I1142-C1161 HydrophobicContact CG2-CB 4.08Å; Q1144-C1161 VanDerWaalsContact O-CA 3.25Å; Q1144-C1161 WeakPolarHBondContact O-CA 3.42Å; Q1144-C1161 WeakPolarHBondContact O-CB 3.37Å; M1146-C1161 HydrophobicContact CG-CB 3.78Å; C1161-I1197 PolarHBondContact N-O 3.07Å; C1161-I1197 PolarHBondContact O-N 2.88Å; C1161-I1197 VanDerWaalsContact O-O 3.08Å; C1161-I1197 VanDerWaalsContact SG-CB 3.55Å; C1161-C1214 VanDerWaalsContact SG-SG 3.7Å |
| 1162 | R | 91.5 | Very high | 86.2 | Confident | 129 Ų | 129 | 56.3 Ų | 56.3 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 139 | 177.9 | -69.5 | -174.8 | 175.8 | -171.3 | -1.9 | 111.5 | I1142 V1143 Q1144 G1195 Y1196 | I1142-R1162 CarbonylContact C-O 3.49Å; I1142-R1162 VanDerWaalsContact CA-O 3.25Å; I1142-R1162 WeakPolarHBondContact CA-O 3.29Å; V1143-R1162 HydrophobicContact CG2-CB 3.62Å; V1143-R1162 VanDerWaalsContact CG2-O 3.28Å; V1143-R1162 WeakPolarHBondContact CG2-O 3.24Å; V1143-R1162 PolarHBondContact N-O 3.14Å; Q1144-R1162 HydrophobicContact CB-CB 3.94Å; Q1144-R1162 HydrophobicContact CB-CG 4.25Å; Q1144-R1162 PolarHBondContact N-O 3.13Å; Q1144-R1162 PolarHBondContact O-N 2.9Å; Q1144-R1162 VanDerWaalsContact O-N 3.11Å; Q1144-R1162 VanDerWaalsContact OE1-CD 3.29Å; R1162-G1195 CarbonylContact C-O 3.51Å; R1162-G1195 VanDerWaalsContact CA-O 3.25Å; R1162-G1195 WeakPolarHBondContact CA-O 3.3Å; R1162-Y1196 HydrophobicContact CG-CD2 4.39Å |
| 1163 | V | 91.5 | Very high | 86.6 | Confident | 2.8 Ų | 2.8 | 53.3 Ų | 53.3 | 2% | 0.017 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 138.2 | -179 | 65.3 | 0 | 0 | 0 | 0 | 112.5 | P1140 I1141 M1171 F1192 G1195 I1197 V1216 | P1140-V1163 HydrophobicContact CB-CG2 3.64Å; I1141-V1163 CarbonylContact O-C 3.52Å; I1141-V1163 WeakPolarHBondContact O-CA 3.36Å; V1163-M1171 HydrophobicContact CB-CE 4.48Å; V1163-M1171 HydrophobicContact CG1-CE 4.04Å; V1163-M1171 HydrophobicContact CG1-SD 4.15Å; V1163-M1171 HydrophobicContact CG2-CE 4.13Å; V1163-M1171 HydrophobicContact CG2-SD 4.22Å; V1163-F1192 HydrophobicContact CG1-CE2 4.15Å; V1163-G1195 PolarHBondContact N-O 3.04Å; V1163-G1195 WeakPolarHBondContact O-CA 3.44Å; V1163-I1197 HydrophobicContact CB-CD1 4.23Å; V1163-I1197 HydrophobicContact CG1-CD1 3.76Å; V1163-I1197 HydrophobicContact CG1-CG1 4.45Å; V1163-V1216 HydrophobicContact CB-CG1 4.37Å; V1163-V1216 HydrophobicContact CG1-CG1 4.32Å; V1163-V1216 HydrophobicContact CG2-CB 4.45Å; V1163-V1216 HydrophobicContact CG2-CG1 3.98Å |
| 1164 | E | 86.2 | Confident | 86.9 | Confident | 116.8 Ų | 116.8 | 53.5 Ų | 53.5 | 55% | 0.546 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 143 | 166.8 | -73.7 | -177.7 | 173.2 | 0 | 0 | 110.5 | P1140 I1141 V1143 | P1140-E1164 CarbonylContact C-O 3.51Å; P1140-E1164 WeakPolarHBondContact CA-O 3.3Å; I1141-E1164 PolarHBondContact N-O 3.37Å; I1141-E1164 PolarHBondContact O-N 3.14Å; V1143-E1164 HydrophobicContact CG1-CB 4.26Å; V1143-E1164 HydrophobicContact CG1-CG 3.91Å; V1143-E1164 HydrophobicContact CG2-CB 3.94Å; V1143-E1164 HydrophobicContact CG2-CG 3.91Å |
| 1165 | P | 86.4 | Confident | 87.5 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 20% | 0.201 | 27% | 0.273 | C | S | . | . | S | Bend | cis | -74.6 | 132.7 | -0.5 | 30.2 | -34.2 | 0 | 0 | 0 | 112.5 | F1137 N1167 D1168 M1171 | F1137-P1165 HydrophobicContact CB-CG 4.34Å; F1137-P1165 HydrophobicContact CD1-CB 4.33Å; F1137-P1165 HydrophobicContact CD1-CG 4.13Å; P1165-N1167 VanDerWaalsContact C-N 3.28Å; P1165-N1167 PolarHBondContact O-N 2.86Å; P1165-D1168 HydrophobicContact CG-CB 4.23Å; P1165-D1168 PolarHBondContact O-N 2.84Å; P1165-M1171 HydrophobicContact CG-CE 4.3Å; P1165-M1171 VanDerWaalsContact O-CE 3.28Å; P1165-M1171 WeakPolarHBondContact O-CE 3.33Å |
| 1166 | A | 79 | Confident | 88 | Confident | 37.2 Ų | 37.2 | 50.4 Ų | 50.4 | 31% | 0.307 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D1168 F1194 G1195 | A1166-D1168 PolarHBondContact O-N 2.91Å; A1166-F1194 WeakPolarHBondContact CB-O 3.1Å; A1166-F1194 CarbonylContact O-C 3.41Å; A1166-G1195 PolarHBondContact O-N 2.96Å |
| 1167 | N | 73.9 | Confident | 88 | Confident | 105.2 Ų | 105.2 | 48.3 Ų | 48.3 | 56% | 0.563 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | 29.1 | -172.8 | -56.2 | -21.3 | 0 | 0 | 0 | 113.7 | F1137 P1165 P1169 F1194 | F1137-N1167 WeakPolarHBondContact CE1-O 3.13Å; P1165-N1167 VanDerWaalsContact C-N 3.28Å; P1165-N1167 PolarHBondContact O-N 2.86Å; N1167-P1169 VanDerWaalsContact O-CD 3.28Å; N1167-P1169 WeakPolarHBondContact O-CD 3.35Å; N1167-F1194 WeakPolarHBondContact OD1-CD1 3.3Å |
| 1168 | D | 81.7 | Confident | 87.9 | Confident | 8.8 Ų | 8.8 | 52.5 Ų | 52.5 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | trans | -78.1 | 114.6 | 170.9 | -175 | -17.1 | 0 | 0 | 0 | 110.2 | F1137 P1165 A1166 N1170 M1171 N1218 | F1137-D1168 HydrophobicContact CB-CB 4.36Å; F1137-D1168 WeakPolarHBondContact CB-OD2 3.29Å; F1137-D1168 HydrophobicContact CD1-CB 3.75Å; F1137-D1168 HydrophobicContact CD2-CB 4.41Å; F1137-D1168 HydrophobicContact CE1-CB 4.05Å; F1137-D1168 HydrophobicContact CG-CB 3.93Å; F1137-D1168 HydrophobicContact CZ-CB 4.44Å; P1165-D1168 HydrophobicContact CG-CB 4.23Å; P1165-D1168 PolarHBondContact O-N 2.84Å; A1166-D1168 PolarHBondContact O-N 2.91Å; D1168-N1170 PolarHBondContact O-N 3.07Å; D1168-N1170 VanDerWaalsContact O-N 3.1Å; D1168-N1170 WeakPolarHBondContact OD1-CA 3.41Å; D1168-N1170 VanDerWaalsContact OD1-CB 3.28Å; D1168-N1170 WeakPolarHBondContact OD1-CB 3.25Å; D1168-N1170 PolarHBondContact OD1-N 2.83Å; D1168-N1170 PolarHBondContact OD1-ND2 2.88Å; D1168-M1171 HydrophobicContact CB-CB 4.33Å; D1168-M1171 HydrophobicContact CB-CE 4.08Å; D1168-M1171 VanDerWaalsContact O-CB 3.28Å; D1168-M1171 WeakPolarHBondContact O-CB 3.38Å; D1168-M1171 PolarHBondContact O-N 3.11Å; D1168-M1171 VanDerWaalsContact O-N 3.09Å; D1168-N1218 VanDerWaalsContact OD2-CB 3.27Å; D1168-N1218 WeakPolarHBondContact OD2-CB 3.41Å; D1168-N1218 PolarHBondContact OD2-ND2 3.04Å | ||
| 1169 | P | 78.5 | Confident | 87.6 | Confident | 110.2 Ų | 110.2 | 51.8 Ų | 51.8 | 72% | 0.716 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -4.3 | -179 | 29.5 | -35.7 | 0 | 0 | 0 | 113.7 | F1137 N1167 | F1137-P1169 HydrophobicContact CE2-CG 4.45Å; F1137-P1169 HydrophobicContact CZ-CG 4.49Å; N1167-P1169 VanDerWaalsContact O-CD 3.28Å; N1167-P1169 WeakPolarHBondContact O-CD 3.35Å |
| 1170 | N | 82 | Confident | 87.2 | Confident | 50 Ų | 50 | 55.2 Ų | 55.2 | 27% | 0.267 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 8.1 | 175.8 | -45.6 | -88.7 | 0 | 0 | 0 | 112.6 | D1168 N1218 K1219 | D1168-N1170 PolarHBondContact O-N 3.07Å; D1168-N1170 VanDerWaalsContact O-N 3.1Å; D1168-N1170 WeakPolarHBondContact OD1-CA 3.41Å; D1168-N1170 VanDerWaalsContact OD1-CB 3.28Å; D1168-N1170 WeakPolarHBondContact OD1-CB 3.25Å; D1168-N1170 PolarHBondContact OD1-N 2.83Å; D1168-N1170 PolarHBondContact OD1-ND2 2.88Å; N1170-N1218 WeakPolarHBondContact O-CA 3.2Å; N1170-K1219 HydrophobicContact CB-CD 4.11Å; N1170-K1219 HydrophobicContact CB-CG 4Å; N1170-K1219 WeakPolarHBondContact OD1-CD 3.38Å; N1170-K1219 WeakPolarHBondContact OD1-CE 3.37Å; N1170-K1219 PolarHBondContact OD1-NZ 3.06Å |
| 1171 | M | 86.2 | Confident | 87 | Confident | 16.8 Ų | 16.8 | 57.4 Ų | 57.4 | 8% | 0.083 | 33% | 0.326 | C | S | . | . | trans | -76.8 | 128 | -178.9 | -160.7 | 98.3 | 75.2 | 0 | 0 | 111.1 | P1140 V1163 P1165 D1168 F1192 V1216 R1217 N1218 | P1140-M1171 HydrophobicContact CB-CE 4.1Å; P1140-M1171 HydrophobicContact CB-SD 3.92Å; P1140-M1171 HydrophobicContact CG-SD 4.33Å; V1163-M1171 HydrophobicContact CB-CE 4.48Å; V1163-M1171 HydrophobicContact CG1-CE 4.04Å; V1163-M1171 HydrophobicContact CG1-SD 4.15Å; V1163-M1171 HydrophobicContact CG2-CE 4.13Å; V1163-M1171 HydrophobicContact CG2-SD 4.22Å; P1165-M1171 HydrophobicContact CG-CE 4.3Å; P1165-M1171 VanDerWaalsContact O-CE 3.28Å; P1165-M1171 WeakPolarHBondContact O-CE 3.33Å; D1168-M1171 HydrophobicContact CB-CB 4.33Å; D1168-M1171 HydrophobicContact CB-CE 4.08Å; D1168-M1171 VanDerWaalsContact O-CB 3.28Å; D1168-M1171 WeakPolarHBondContact O-CB 3.38Å; D1168-M1171 PolarHBondContact O-N 3.11Å; D1168-M1171 VanDerWaalsContact O-N 3.09Å; M1171-F1192 HydrophobicContact CB-CE1 4.15Å; M1171-F1192 HydrophobicContact CB-CZ 3.83Å; M1171-F1192 HydrophobicContact CE-CE2 4.19Å; M1171-F1192 HydrophobicContact CE-CZ 3.89Å; M1171-F1192 HydrophobicContact CG-CE1 4.28Å; M1171-F1192 HydrophobicContact CG-CE2 4.39Å; M1171-F1192 HydrophobicContact CG-CZ 3.68Å; M1171-V1216 HydrophobicContact CG-CG1 3.52Å; M1171-V1216 VanDerWaalsContact CG-CG1 3.45Å; M1171-V1216 HydrophobicContact SD-CG1 3.52Å; M1171-V1216 VanDerWaalsContact SD-CG1 3.57Å; M1171-V1216 WeakPolarHBondContact SD-CG1 3.15Å; M1171-R1217 CarbonylContact C-O 3.53Å; M1171-R1217 WeakPolarHBondContact CA-O 3.22Å; M1171-N1218 HydrophobicContact SD-CB 3.93Å | ||
| 1172 | I | 88.1 | Confident | 86.8 | Confident | 78 Ų | 78 | 57.8 Ų | 57.8 | 40% | 0.4 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.1 | -179.6 | -58.8 | 167.9 | 0 | 0 | 0 | 108 | E1174 V1216 R1217 | I1172-E1174 HydrophobicContact CG2-CG 4.39Å; I1172-V1216 CarbonylContact O-C 3.53Å; I1172-V1216 WeakPolarHBondContact O-CA 3.34Å; I1172-R1217 HydrophobicContact CB-CG 3.92Å; I1172-R1217 HydrophobicContact CD1-CG 4.45Å; I1172-R1217 HydrophobicContact CG2-CG 4.42Å; I1172-R1217 PolarHBondContact N-O 3.01Å; I1172-R1217 PolarHBondContact O-N 3.03Å |
| 1173 | V | 91.5 | Very high | 86.2 | Confident | 33.8 Ų | 33.8 | 59 Ų | 59 | 21% | 0.205 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 126.2 | 178.4 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | F1192 I1197 I1215 V1216 | V1173-F1192 HydrophobicContact CB-CG 4.46Å; V1173-F1192 HydrophobicContact CG2-CB 4.17Å; V1173-F1192 HydrophobicContact CG2-CD1 3.75Å; V1173-F1192 HydrophobicContact CG2-CD2 3.78Å; V1173-F1192 HydrophobicContact CG2-CE1 4.04Å; V1173-F1192 HydrophobicContact CG2-CE2 4.06Å; V1173-F1192 HydrophobicContact CG2-CG 3.61Å; V1173-F1192 HydrophobicContact CG2-CZ 4.2Å; V1173-I1197 HydrophobicContact CG1-CD1 4.25Å; V1173-I1197 HydrophobicContact CG1-CG1 4.41Å; V1173-I1197 HydrophobicContact CG1-CG2 3.84Å; V1173-I1197 HydrophobicContact CG2-CD1 3.7Å; V1173-I1197 HydrophobicContact CG2-CG1 4.04Å; V1173-I1215 CarbonylContact C-O 3.52Å; V1173-I1215 WeakPolarHBondContact CA-O 3.28Å; V1173-V1216 HydrophobicContact CG2-CG1 4.19Å; V1173-V1216 HydrophobicContact CG2-CG2 4.29Å |
| 1174 | E | 91.1 | Very high | 85.5 | Confident | 74.4 Ų | 74.4 | 64.9 Ų | 64.9 | 35% | 0.348 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136.5 | 177.5 | -71.3 | 175.9 | 176.8 | 0 | 0 | 110.1 | I1172 I1215 R1217 | I1172-E1174 HydrophobicContact CG2-CG 4.39Å; E1174-I1215 HydrophobicContact CB-CB 4.27Å; E1174-I1215 PolarHBondContact N-O 2.89Å; E1174-I1215 PolarHBondContact O-N 2.98Å; E1174-R1217 IonicContact OE1-CZ 3.51Å; E1174-R1217 VanDerWaalsContact OE1-CZ 3.25Å; E1174-R1217 IonicContact OE1-NE 2.74Å; E1174-R1217 PolarHBondContact OE1-NE 3.05Å; E1174-R1217 IonicContact OE1-NH1 3.46Å; E1174-R1217 PolarHBondContact OE1-NH1 3.15Å; E1174-R1217 IonicContact OE1-NH2 2.97Å; E1174-R1217 PolarHBondContact OE1-NH2 3.18Å; E1174-R1217 IonicContact OE2-CZ 3.17Å; E1174-R1217 IonicContact OE2-NH1 3.2Å; E1174-R1217 PolarHBondContact OE2-NH1 2.73Å; E1174-R1217 IonicContact OE2-NH2 3.36Å |
| 1175 | W | 92.6 | Very high | 84.9 | Confident | 14.6 Ų | 14.6 | 60.6 Ų | 60.6 | 6% | 0.055 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 128.6 | 178.1 | -76 | 92 | 0 | 0 | 0 | 110.6 | M1146 F1159 L1182 I1197 L1199 T1213 C1214 | M1146-W1175 HydrophobicContact CE-CZ3 4.12Å; M1146-W1175 HydrophobicContact SD-CE3 4.36Å; M1146-W1175 HydrophobicContact SD-CH2 3.27Å; M1146-W1175 WeakPolarHBondContact SD-CH2 3.37Å; M1146-W1175 HydrophobicContact SD-CZ2 4.42Å; M1146-W1175 HydrophobicContact SD-CZ3 3.34Å; M1146-W1175 WeakPolarHBondContact SD-CZ3 3.29Å; F1159-W1175 HydrophobicContact CB-CH2 3.98Å; F1159-W1175 HydrophobicContact CB-CZ3 4.33Å; W1175-L1182 HydrophobicContact CB-CB 4.05Å; W1175-L1182 HydrophobicContact CB-CD2 4.21Å; W1175-L1182 WeakPolarHBondContact O-CB 3.47Å; W1175-L1182 PolarHBondContact O-N 3.08Å; W1175-I1197 HydrophobicContact CZ2-CG2 3.79Å; W1175-L1199 HydrophobicContact CD2-CB 4.06Å; W1175-L1199 HydrophobicContact CD2-CD2 4.04Å; W1175-L1199 HydrophobicContact CD2-CG 4.49Å; W1175-L1199 HydrophobicContact CE3-CB 4.06Å; W1175-L1199 HydrophobicContact CE3-CD2 3.62Å; W1175-L1199 HydrophobicContact CE3-CG 4.46Å; W1175-L1199 HydrophobicContact CH2-CB 3.42Å; W1175-L1199 VanDerWaalsContact CH2-CB 3.43Å; W1175-L1199 HydrophobicContact CH2-CD2 4.34Å; W1175-L1199 HydrophobicContact CH2-CG 4.47Å; W1175-L1199 HydrophobicContact CZ2-CB 3.43Å; W1175-L1199 VanDerWaalsContact CZ2-CB 3.43Å; W1175-L1199 HydrophobicContact CZ3-CB 3.75Å; W1175-L1199 HydrophobicContact CZ3-CD2 3.77Å; W1175-L1199 HydrophobicContact CZ3-CG 4.43Å; W1175-T1213 WeakPolarHBondContact CA-O 3.45Å; W1175-C1214 HydrophobicContact CD2-CB 4.31Å; W1175-C1214 HydrophobicContact CE3-CB 4.09Å; W1175-C1214 HydrophobicContact CH2-CB 4.04Å; W1175-C1214 HydrophobicContact CZ2-CB 4.21Å; W1175-C1214 HydrophobicContact CZ3-CB 3.97Å |
| 1176 | L | 93 | Very high | 84.3 | Confident | 35.6 Ų | 35.6 | 63.3 Ų | 63.3 | 19% | 0.186 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 145.5 | 171.8 | -50 | 176.1 | 0 | 0 | 0 | 110.3 | S1180 P1181 Y1212 T1213 I1215 | L1176-S1180 CarbonylContact C-O 3.53Å; L1176-S1180 WeakPolarHBondContact CA-O 3.31Å; L1176-S1180 WeakPolarHBondContact CB-O 3.33Å; L1176-P1181 HydrophobicContact CD2-CG 4.32Å; L1176-Y1212 CarbonylContact O-C 3.53Å; L1176-Y1212 VanDerWaalsContact O-CA 3.31Å; L1176-Y1212 WeakPolarHBondContact O-CA 3.33Å; L1176-T1213 PolarHBondContact N-O 2.94Å; L1176-T1213 PolarHBondContact O-N 2.95Å; L1176-I1215 HydrophobicContact CD1-CD1 3.69Å; L1176-I1215 HydrophobicContact CD1-CG1 4.38Å; L1176-I1215 HydrophobicContact CG-CD1 4.22Å |
| 1177 | H | 91.2 | Very high | 84.8 | Confident | 34.6 Ų | 34.6 | 63.5 Ų | 63.5 | 16% | 0.16 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 122.2 | 166.9 | 177.3 | -129.7 | 0 | 0 | 0 | 108.6 | G1179 S1180 L1182 E1207 D1208 S1209 T1211 Y1212 | H1177-G1179 PolarHBondContact O-N 3.03Å; H1177-G1179 VanDerWaalsContact O-N 3.14Å; H1177-S1180 PolarHBondContact N-O 3Å; H1177-S1180 PolarHBondContact O-N 3.01Å; H1177-S1180 VanDerWaalsContact O-O 3.12Å; H1177-L1182 HydrophobicContact CB-CD1 3.87Å; H1177-E1207 PolarHBondContact CE1-O 3.44Å; H1177-D1208 PolarHBondContact NE2-O 2.99Å; H1177-S1209 PolarHBondContact NE2-O 3.13Å; H1177-S1209 VanDerWaalsContact NE2-O 3.12Å; H1177-T1211 CarbonylContact C-O 3.54Å; H1177-T1211 WeakPolarHBondContact CA-O 3.39Å; H1177-Y1212 HydrophobicContact CB-CD1 4.48Å; H1177-Y1212 HydrophobicContact CB-CE1 4.3Å; H1177-Y1212 AromaticContact CD2-CD2 3.83Å; H1177-Y1212 AromaticContact CD2-CE1 3.86Å; H1177-Y1212 AromaticContact CD2-CE2 3.37Å; H1177-Y1212 VanDerWaalsContact CD2-CE2 3.48Å; H1177-Y1212 WeakPolarHBondContact CD2-CE2 3.32Å; H1177-Y1212 AromaticContact CD2-CZ 3.36Å; H1177-Y1212 VanDerWaalsContact CD2-CZ 3.42Å; H1177-Y1212 AromaticContact NE2-CE2 3.69Å; H1177-Y1212 AromaticContact NE2-CZ 3.73Å |
| 1178 | N | 89 | Confident | 85.6 | Confident | 91.2 Ų | 91.2 | 59.8 Ų | 59.8 | 49% | 0.488 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 39.3 | -174.9 | -65.1 | -47.8 | 0 | 0 | 0 | 113.1 | S1180 S1209 G1210 T1211 | N1178-S1180 VanDerWaalsContact C-N 3.26Å; N1178-S1180 PolarHBondContact O-N 2.83Å; N1178-S1209 PolarHBondContact ND2-O 3.09Å; N1178-G1210 WeakPolarHBondContact OD1-CA 3.12Å; N1178-T1211 PolarHBondContact N-O 3.08Å; N1178-T1211 PolarHBondContact OD1-N 2.91Å; N1178-T1211 VanDerWaalsContact OD1-N 3.14Å |
| 1179 | G | 85.9 | Confident | 85.9 | Confident | 57.6 Ų | 57.6 | 67.1 Ų | 67.1 | 59% | 0.594 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 0.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | H1177 | H1177-G1179 PolarHBondContact O-N 3.03Å; H1177-G1179 VanDerWaalsContact O-N 3.14Å |
| 1180 | S | 86.1 | Confident | 86.5 | Confident | 73.4 Ų | 73.4 | 65.9 Ų | 65.9 | 51% | 0.513 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 149.7 | 173.8 | -60.5 | 0 | 0 | 0 | 0 | 110.6 | L1176 H1177 N1178 L1182 | L1176-S1180 CarbonylContact C-O 3.53Å; L1176-S1180 WeakPolarHBondContact CA-O 3.31Å; L1176-S1180 WeakPolarHBondContact CB-O 3.33Å; H1177-S1180 PolarHBondContact N-O 3Å; H1177-S1180 PolarHBondContact O-N 3.01Å; H1177-S1180 VanDerWaalsContact O-O 3.12Å; N1178-S1180 VanDerWaalsContact C-N 3.26Å; N1178-S1180 PolarHBondContact O-N 2.83Å; S1180-L1182 PolarHBondContact O-N 3.04Å |
| 1181 | P | 88.7 | Confident | 86.8 | Confident | 103.6 Ų | 103.6 | 65.7 Ų | 65.7 | 67% | 0.673 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.6 | 131.7 | 174.2 | -26.7 | 35.4 | 0 | 0 | 0 | 112.1 | L1176 K1183 | L1176-P1181 HydrophobicContact CD2-CG 4.32Å; P1181-K1183 PolarHBondContact O-N 2.93Å; P1181-K1183 VanDerWaalsContact O-N 3.15Å |
| 1182 | L | 88.7 | Confident | 86.9 | Confident | 9.8 Ų | 9.8 | 68.7 Ų | 68.7 | 5% | 0.051 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -61 | 119.7 | 179.9 | 179.9 | 68.8 | 0 | 0 | 0 | 109.9 | W1175 H1177 S1180 E1184 F1188 K1190 L1199 Y1212 | W1175-L1182 HydrophobicContact CB-CB 4.05Å; W1175-L1182 HydrophobicContact CB-CD2 4.21Å; W1175-L1182 WeakPolarHBondContact O-CB 3.47Å; W1175-L1182 PolarHBondContact O-N 3.08Å; H1177-L1182 HydrophobicContact CB-CD1 3.87Å; S1180-L1182 PolarHBondContact O-N 3.04Å; L1182-E1184 PolarHBondContact O-N 3.13Å; L1182-F1188 HydrophobicContact CD1-CD1 4.19Å; L1182-F1188 HydrophobicContact CD1-CD2 4.41Å; L1182-F1188 HydrophobicContact CD1-CE1 4.08Å; L1182-F1188 HydrophobicContact CD1-CE2 4.42Å; L1182-F1188 HydrophobicContact CD1-CG 4.41Å; L1182-F1188 HydrophobicContact CD1-CZ 4.27Å; L1182-F1188 HydrophobicContact CD2-CB 4.3Å; L1182-F1188 HydrophobicContact CD2-CD1 4.2Å; L1182-F1188 HydrophobicContact CD2-CG 4.25Å; L1182-F1188 HydrophobicContact CG-CD1 4.44Å; L1182-F1188 HydrophobicContact CG-CG 4.46Å; L1182-K1190 PolarHBondContact O-NZ 2.69Å; L1182-L1199 HydrophobicContact CD2-CD1 3.59Å; L1182-L1199 VanDerWaalsContact CD2-CD1 3.45Å; L1182-L1199 HydrophobicContact CD2-CD2 3.57Å; L1182-L1199 VanDerWaalsContact CD2-CD2 3.47Å; L1182-L1199 HydrophobicContact CD2-CG 4.25Å; L1182-Y1212 HydrophobicContact CD1-CD1 4.46Å; L1182-Y1212 HydrophobicContact CD1-CE1 3.84Å; L1182-Y1212 HydrophobicContact CD2-CE1 4.35Å |
| 1183 | K | 78.8 | Confident | 86.6 | Confident | 153.2 Ų | 153.2 | 69.5 Ų | 69.5 | 67% | 0.666 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -59 | 131.6 | 178.4 | -64.1 | -178.4 | 178.8 | 180 | 0 | 110.4 | Y231 P1181 F1188 | Y231-K1183 VanDerWaalsContact CB-CG 3.45Å; Y231-K1183 HydrophobicContact CD1-CG 4.4Å; Y231-K1183 HydrophobicContact CD2-CB 4.03Å; Y231-K1183 HydrophobicContact CG-CB 3.93Å; Y231-K1183 HydrophobicContact CG-CD 4.3Å; Y231-K1183 HydrophobicContact CG-CG 3.92Å; Y231-K1183 WeakPolarHBondContact O-CE 3.47Å; Y231-K1183 PolarHBondContact O-NZ 3.35Å; P1181-K1183 PolarHBondContact O-N 2.93Å; P1181-K1183 VanDerWaalsContact O-N 3.15Å; K1183-F1188 VanDerWaalsContact O-CD2 3.31Å; K1183-F1188 WeakPolarHBondContact O-CD2 3.34Å |
| 1184 | E | 76.6 | Confident | 86.2 | Confident | 128 Ų | 128 | 74.3 Ų | 74.3 | 60% | 0.598 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 146.8 | 176 | -54 | -161.1 | 142.8 | 0 | 0 | 110.5 | Q927 L1182 K1190 S1810 K1890 | Q927-E1184 HydrophobicContact CB-CB 4.17Å; Q927-E1184 HydrophobicContact CG-CB 3.97Å; L1182-E1184 PolarHBondContact O-N 3.13Å; E1184-K1190 IonicContact OE1-NZ 3.05Å; E1184-K1190 PolarHBondContact OE1-NZ 3.01Å; E1184-S1810 PolarHBondContact OE2-OG 3.21Å; E1184-K1890 IonicContact OE2-NZ 3.57Å; E1184-K1890 PolarHBondContact OE2-NZ 2.83Å |
| 1185 | G | 73.6 | Confident | 85.8 | Confident | 26 Ų | 26 | 71 Ų | 71 | 27% | 0.268 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 167.5 | 155.5 | -179 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q927 N928 R1187 F1188 | Q927-G1185 VanDerWaalsContact OE1-N 3.1Å; Q927-G1185 PolarHBondContact OE1-O 2.81Å; Q927-G1185 VanDerWaalsContact OE1-O 3.13Å; N928-G1185 VanDerWaalsContact O-CA 3.29Å; N928-G1185 WeakPolarHBondContact O-CA 3.46Å; G1185-R1187 PolarHBondContact O-N 2.96Å; G1185-R1187 VanDerWaalsContact O-N 3.09Å; G1185-F1188 PolarHBondContact O-N 3.03Å |
| 1186 | N | 74.2 | Confident | 85.8 | Confident | 87.8 Ų | 87.8 | 73.4 Ų | 73.4 | 47% | 0.47 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -18.4 | -168.8 | -110.3 | 32.5 | 0 | 0 | 0 | 115.3 | E146 R939 Q941 F1188 E1815 | E146-N1186 PolarHBondContact OE1-ND2 2.87Å; R939-N1186 WeakPolarHBondContact O-CB 3.35Å; R939-N1186 PolarHBondContact O-ND2 2.81Å; R939-N1186 PolarHBondContact O-OD1 2.84Å; Q941-N1186 WeakPolarHBondContact CG-OD1 3.44Å; Q941-N1186 PolarHBondContact NE2-O 2.9Å; Q941-N1186 PolarHBondContact NE2-OD1 2.79Å; N1186-F1188 PolarHBondContact O-N 3.37Å; N1186-E1815 PolarHBondContact ND2-OE1 2.98Å; N1186-E1815 PolarHBondContact OD1-OE1 2.8Å |
| 1187 | R | 88.5 | Confident | 85.8 | Confident | 41.8 Ų | 41.8 | 71.7 Ų | 71.7 | 16% | 0.158 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -28 | 174.7 | -53.1 | -168.5 | -58.8 | 116 | -2.6 | 112.9 | G1185 D1200 V1201 A1202 Y1203 D1208 | G1185-R1187 PolarHBondContact O-N 2.96Å; G1185-R1187 VanDerWaalsContact O-N 3.09Å; R1187-D1200 VanDerWaalsContact O-O 3.08Å; R1187-V1201 HydrophobicContact CB-CG1 4.47Å; R1187-V1201 CarbonylContact O-C 3.45Å; R1187-V1201 VanDerWaalsContact O-CA 3.26Å; R1187-V1201 WeakPolarHBondContact O-CA 3.35Å; R1187-A1202 PolarHBondContact O-N 3.12Å; R1187-Y1203 VanDerWaalsContact CD-CZ 3.45Å; R1187-Y1203 WeakPolarHBondContact CD-OH 3.24Å; R1187-Y1203 HydrophobicContact CG-CD1 4.44Å; R1187-Y1203 HydrophobicContact CG-CD2 4.42Å; R1187-Y1203 HydrophobicContact CG-CE1 3.83Å; R1187-Y1203 HydrophobicContact CG-CE2 3.88Å; R1187-Y1203 VanDerWaalsContact CG-CZ 3.41Å; R1187-Y1203 WeakPolarHBondContact CG-OH 3.33Å; R1187-Y1203 PolarHBondContact NH1-O 2.9Å; R1187-D1208 IonicContact CZ-OD1 3.05Å; R1187-D1208 IonicContact CZ-OD2 2.85Å; R1187-D1208 IonicContact NH1-OD1 3.33Å; R1187-D1208 PolarHBondContact NH1-OD1 2.95Å; R1187-D1208 IonicContact NH1-OD2 3.18Å; R1187-D1208 PolarHBondContact NH1-OD2 2.95Å; R1187-D1208 IonicContact NH2-OD1 3.48Å; R1187-D1208 PolarHBondContact NH2-OD1 3.12Å; R1187-D1208 IonicContact NH2-OD2 3.06Å; R1187-D1208 PolarHBondContact NH2-OD2 2.87Å |
| 1188 | F | 90.8 | Very high | 85.9 | Confident | 27.2 Ų | 27.2 | 70.2 Ų | 70.2 | 12% | 0.119 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 109.6 | -171.9 | -59.7 | -69.8 | 0 | 0 | 0 | 111.1 | Q927 L1182 K1183 G1185 N1186 L1199 D1200 V1201 D1208 | Q927-F1188 PolarHBondContact OE1-O 3.27Å; L1182-F1188 HydrophobicContact CD1-CD1 4.19Å; L1182-F1188 HydrophobicContact CD1-CD2 4.41Å; L1182-F1188 HydrophobicContact CD1-CE1 4.08Å; L1182-F1188 HydrophobicContact CD1-CE2 4.42Å; L1182-F1188 HydrophobicContact CD1-CG 4.41Å; L1182-F1188 HydrophobicContact CD1-CZ 4.27Å; L1182-F1188 HydrophobicContact CD2-CB 4.3Å; L1182-F1188 HydrophobicContact CD2-CD1 4.2Å; L1182-F1188 HydrophobicContact CD2-CG 4.25Å; L1182-F1188 HydrophobicContact CG-CD1 4.44Å; L1182-F1188 HydrophobicContact CG-CG 4.46Å; K1183-F1188 VanDerWaalsContact O-CD2 3.31Å; K1183-F1188 WeakPolarHBondContact O-CD2 3.34Å; G1185-F1188 PolarHBondContact O-N 3.03Å; N1186-F1188 PolarHBondContact O-N 3.37Å; F1188-L1199 HydrophobicContact CB-CD1 4.27Å; F1188-L1199 HydrophobicContact CD1-CD1 4.42Å; F1188-D1200 CarbonylContact C-O 3.51Å; F1188-D1200 VanDerWaalsContact CA-O 3.32Å; F1188-D1200 WeakPolarHBondContact CA-O 3.35Å; F1188-V1201 HydrophobicContact CD1-CB 4.4Å; F1188-V1201 HydrophobicContact CD1-CG1 4.02Å; F1188-V1201 HydrophobicContact CD1-CG2 3.9Å; F1188-V1201 HydrophobicContact CE1-CB 4.4Å; F1188-V1201 HydrophobicContact CE1-CG1 3.7Å; F1188-V1201 HydrophobicContact CE1-CG2 3.91Å; F1188-V1201 HydrophobicContact CZ-CG1 4.39Å; F1188-D1208 WeakPolarHBondContact CZ-OD1 3.44Å |
| 1189 | R | 88.8 | Confident | 86.1 | Confident | 162 Ų | 162 | 65.9 Ų | 65.9 | 61% | 0.611 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117.9 | 175.5 | -177.1 | 179.8 | -173.2 | 161.1 | 2.4 | 109.7 | L1199 D1200 | R1189-L1199 CarbonylContact O-C 3.54Å; R1189-L1199 WeakPolarHBondContact O-CA 3.3Å; R1189-D1200 HydrophobicContact CB-CB 4.2Å; R1189-D1200 PolarHBondContact N-O 2.86Å; R1189-D1200 PolarHBondContact O-N 3.08Å |
| 1190 | K | 91.4 | Very high | 86.4 | Confident | 84.2 Ų | 84.2 | 65.5 Ų | 65.5 | 37% | 0.366 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 136.7 | 178 | -56.3 | 165.2 | -171.2 | 170.8 | 0 | 108.6 | L1182 E1184 S1198 L1199 | L1182-K1190 PolarHBondContact O-NZ 2.69Å; E1184-K1190 IonicContact OE1-NZ 3.05Å; E1184-K1190 PolarHBondContact OE1-NZ 3.01Å; K1190-S1198 CarbonylContact C-O 3.58Å; K1190-S1198 WeakPolarHBondContact CA-O 3.14Å; K1190-L1199 HydrophobicContact CG-CD1 4.06Å |
| 1191 | T | 88.2 | Confident | 86.7 | Confident | 47 Ų | 47 | 62.1 Ų | 62.1 | 29% | 0.288 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 141.9 | 172.2 | 27.2 | 0 | 0 | 0 | 0 | 110.4 | I1197 S1198 | T1191-I1197 CarbonylContact O-C 3.48Å; T1191-I1197 VanDerWaalsContact O-CA 3.31Å; T1191-I1197 WeakPolarHBondContact O-CA 3.41Å; T1191-S1198 WeakPolarHBondContact CB-OG 2.98Å; T1191-S1198 PolarHBondContact N-O 2.88Å; T1191-S1198 PolarHBondContact O-N 3.03Å; T1191-S1198 WeakPolarHBondContact OG1-CB 3.45Å; T1191-S1198 PolarHBondContact OG1-N 2.9Å; T1191-S1198 VanDerWaalsContact OG1-N 3.16Å; T1191-S1198 PolarHBondContact OG1-OG 3.01Å |
| 1192 | F | 88.7 | Confident | 86.5 | Confident | 79.6 Ų | 79.6 | 59.8 Ų | 59.8 | 35% | 0.349 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 108.1 | 170.6 | 171.8 | -131.6 | 0 | 0 | 0 | 109.2 | V1163 M1171 V1173 Y1196 I1197 | V1163-F1192 HydrophobicContact CG1-CE2 4.15Å; M1171-F1192 HydrophobicContact CB-CE1 4.15Å; M1171-F1192 HydrophobicContact CB-CZ 3.83Å; M1171-F1192 HydrophobicContact CE-CE2 4.19Å; M1171-F1192 HydrophobicContact CE-CZ 3.89Å; M1171-F1192 HydrophobicContact CG-CE1 4.28Å; M1171-F1192 HydrophobicContact CG-CE2 4.39Å; M1171-F1192 HydrophobicContact CG-CZ 3.68Å; V1173-F1192 HydrophobicContact CB-CG 4.46Å; V1173-F1192 HydrophobicContact CG2-CB 4.17Å; V1173-F1192 HydrophobicContact CG2-CD1 3.75Å; V1173-F1192 HydrophobicContact CG2-CD2 3.78Å; V1173-F1192 HydrophobicContact CG2-CE1 4.04Å; V1173-F1192 HydrophobicContact CG2-CE2 4.06Å; V1173-F1192 HydrophobicContact CG2-CG 3.61Å; V1173-F1192 HydrophobicContact CG2-CZ 4.2Å; F1192-Y1196 VanDerWaalsContact CA-O 3.31Å; F1192-Y1196 WeakPolarHBondContact CA-O 3.37Å; F1192-I1197 HydrophobicContact CB-CG1 4.32Å; F1192-I1197 HydrophobicContact CD2-CD1 4.15Å; F1192-I1197 HydrophobicContact CD2-CG1 3.44Å; F1192-I1197 VanDerWaalsContact CD2-CG1 3.44Å; F1192-I1197 HydrophobicContact CE2-CD1 4.35Å; F1192-I1197 HydrophobicContact CE2-CG1 4.06Å; F1192-I1197 HydrophobicContact CG-CG1 4.28Å |
| 1193 | D | 82.2 | Confident | 86.4 | Confident | 93.2 Ų | 93.2 | 63.3 Ų | 63.3 | 50% | 0.498 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 137.5 | -179.4 | -153.4 | 4.7 | 0 | 0 | 0 | 111 | G1195 Y1196 | D1193-G1195 VanDerWaalsContact C-N 3.26Å; D1193-G1195 PolarHBondContact O-N 3.06Å; D1193-G1195 VanDerWaalsContact O-N 3.08Å; D1193-Y1196 PolarHBondContact N-O 3.1Å; D1193-Y1196 WeakPolarHBondContact O-CA 3.29Å; D1193-Y1196 VanDerWaalsContact O-CB 3.3Å; D1193-Y1196 WeakPolarHBondContact O-CB 3.29Å; D1193-Y1196 PolarHBondContact O-N 3.01Å |
| 1194 | F | 83.1 | Confident | 86.9 | Confident | 135.4 Ų | 135.4 | 56 Ų | 56 | 59% | 0.594 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.1 | 39.6 | -179.6 | -57.8 | -72.9 | 0 | 0 | 0 | 115.7 | K1103 S1105 A1166 N1167 Y1196 | K1103-F1194 HydrophobicContact CB-CE1 4.19Å; K1103-F1194 HydrophobicContact CB-CZ 4.33Å; K1103-F1194 HydrophobicContact CD-CD1 4.21Å; K1103-F1194 HydrophobicContact CD-CE1 3.39Å; K1103-F1194 HydrophobicContact CD-CE2 4.18Å; K1103-F1194 HydrophobicContact CD-CZ 3.39Å; K1103-F1194 HydrophobicContact CG-CD1 4.46Å; K1103-F1194 HydrophobicContact CG-CE1 3.57Å; K1103-F1194 HydrophobicContact CG-CZ 3.97Å; K1103-F1194 VanDerWaalsContact NZ-CD2 3.34Å; K1103-F1194 VanDerWaalsContact NZ-CZ 3.28Å; S1105-F1194 WeakPolarHBondContact OG-CE1 3.16Å; A1166-F1194 WeakPolarHBondContact CB-O 3.1Å; A1166-F1194 CarbonylContact O-C 3.41Å; N1167-F1194 WeakPolarHBondContact OD1-CD1 3.3Å; F1194-Y1196 VanDerWaalsContact C-N 3.28Å; F1194-Y1196 PolarHBondContact O-N 3.03Å |
| 1195 | G | 82.7 | Confident | 87.3 | Confident | 4.6 Ų | 4.6 | 53.7 Ų | 53.7 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | -0.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R1162 V1163 A1166 D1193 | R1162-G1195 CarbonylContact C-O 3.51Å; R1162-G1195 VanDerWaalsContact CA-O 3.25Å; R1162-G1195 WeakPolarHBondContact CA-O 3.3Å; V1163-G1195 PolarHBondContact N-O 3.04Å; V1163-G1195 WeakPolarHBondContact O-CA 3.44Å; A1166-G1195 PolarHBondContact O-N 2.96Å; D1193-G1195 VanDerWaalsContact C-N 3.26Å; D1193-G1195 PolarHBondContact O-N 3.06Å; D1193-G1195 VanDerWaalsContact O-N 3.08Å |
| 1196 | Y | 91.2 | Very high | 87.8 | Confident | 66.2 Ų | 66.2 | 55.2 Ų | 55.2 | 26% | 0.26 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 134.4 | 167.9 | 178.1 | -98 | 0 | 0 | 0 | 110.2 | H1158 E1160 R1162 F1192 D1193 F1194 S1198 | H1158-Y1196 PolarHBondContact NE2-OH 3.36Å; E1160-Y1196 HydrophobicContact CB-CE2 4.08Å; E1160-Y1196 WeakPolarHBondContact OE2-CE2 3.3Å; E1160-Y1196 PolarHBondContact OE2-OH 3.26Å; R1162-Y1196 HydrophobicContact CG-CD2 4.39Å; F1192-Y1196 VanDerWaalsContact CA-O 3.31Å; F1192-Y1196 WeakPolarHBondContact CA-O 3.37Å; D1193-Y1196 PolarHBondContact N-O 3.1Å; D1193-Y1196 WeakPolarHBondContact O-CA 3.29Å; D1193-Y1196 VanDerWaalsContact O-CB 3.3Å; D1193-Y1196 WeakPolarHBondContact O-CB 3.29Å; D1193-Y1196 PolarHBondContact O-N 3.01Å; F1194-Y1196 VanDerWaalsContact C-N 3.28Å; F1194-Y1196 PolarHBondContact O-N 3.03Å; Y1196-S1198 WeakPolarHBondContact CE1-OG 3.4Å; Y1196-S1198 WeakPolarHBondContact OH-CB 3.29Å; Y1196-S1198 PolarHBondContact OH-OG 2.82Å |
| 1197 | I | 92.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 127.6 | 179.7 | -63.8 | 164.4 | 0 | 0 | 0 | 108.4 | E1160 C1161 V1163 V1173 W1175 T1191 F1192 V1216 | E1160-I1197 CarbonylContact C-O 3.54Å; E1160-I1197 WeakPolarHBondContact CA-O 3.21Å; C1161-I1197 PolarHBondContact N-O 3.07Å; C1161-I1197 PolarHBondContact O-N 2.88Å; C1161-I1197 VanDerWaalsContact O-O 3.08Å; C1161-I1197 VanDerWaalsContact SG-CB 3.55Å; V1163-I1197 HydrophobicContact CB-CD1 4.23Å; V1163-I1197 HydrophobicContact CG1-CD1 3.76Å; V1163-I1197 HydrophobicContact CG1-CG1 4.45Å; V1173-I1197 HydrophobicContact CG1-CD1 4.25Å; V1173-I1197 HydrophobicContact CG1-CG1 4.41Å; V1173-I1197 HydrophobicContact CG1-CG2 3.84Å; V1173-I1197 HydrophobicContact CG2-CD1 3.7Å; V1173-I1197 HydrophobicContact CG2-CG1 4.04Å; W1175-I1197 HydrophobicContact CZ2-CG2 3.79Å; T1191-I1197 CarbonylContact O-C 3.48Å; T1191-I1197 VanDerWaalsContact O-CA 3.31Å; T1191-I1197 WeakPolarHBondContact O-CA 3.41Å; F1192-I1197 HydrophobicContact CB-CG1 4.32Å; F1192-I1197 HydrophobicContact CD2-CD1 4.15Å; F1192-I1197 HydrophobicContact CD2-CG1 3.44Å; F1192-I1197 VanDerWaalsContact CD2-CG1 3.44Å; F1192-I1197 HydrophobicContact CE2-CD1 4.35Å; F1192-I1197 HydrophobicContact CE2-CG1 4.06Å; F1192-I1197 HydrophobicContact CG-CG1 4.28Å; I1197-V1216 HydrophobicContact CD1-CB 4.45Å; I1197-V1216 HydrophobicContact CD1-CG1 4.36Å; I1197-V1216 HydrophobicContact CD1-CG2 3.45Å; I1197-V1216 VanDerWaalsContact CD1-CG2 3.46Å |
| 1198 | S | 93.5 | Very high | 88.4 | Confident | 2.4 Ų | 2.4 | 57.6 Ų | 57.6 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 156.8 | 171.7 | 78.3 | 0 | 0 | 0 | 0 | 114.2 | F1159 K1190 T1191 Y1196 D1200 | F1159-S1198 CarbonylContact O-C 3.54Å; F1159-S1198 WeakPolarHBondContact O-CA 3.35Å; F1159-S1198 WeakPolarHBondContact O-CB 3.2Å; K1190-S1198 CarbonylContact C-O 3.58Å; K1190-S1198 WeakPolarHBondContact CA-O 3.14Å; T1191-S1198 WeakPolarHBondContact CB-OG 2.98Å; T1191-S1198 PolarHBondContact N-O 2.88Å; T1191-S1198 PolarHBondContact O-N 3.03Å; T1191-S1198 WeakPolarHBondContact OG1-CB 3.45Å; T1191-S1198 PolarHBondContact OG1-N 2.9Å; T1191-S1198 VanDerWaalsContact OG1-N 3.16Å; T1191-S1198 PolarHBondContact OG1-OG 3.01Å; Y1196-S1198 WeakPolarHBondContact CE1-OG 3.4Å; Y1196-S1198 WeakPolarHBondContact OH-CB 3.29Å; Y1196-S1198 PolarHBondContact OH-OG 2.82Å; S1198-D1200 PolarHBondContact OG-OD2 3.31Å |
| 1199 | L | 93.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 115.7 | 165.5 | 172.1 | 65.4 | 0 | 0 | 0 | 109.2 | F1159 W1175 L1182 F1188 R1189 K1190 Y1212 | F1159-L1199 HydrophobicContact CB-CB 4.42Å; F1159-L1199 HydrophobicContact CD2-CD2 4.35Å; F1159-L1199 PolarHBondContact N-O 3.1Å; F1159-L1199 PolarHBondContact O-N 3.1Å; W1175-L1199 HydrophobicContact CD2-CB 4.06Å; W1175-L1199 HydrophobicContact CD2-CD2 4.04Å; W1175-L1199 HydrophobicContact CD2-CG 4.49Å; W1175-L1199 HydrophobicContact CE3-CB 4.06Å; W1175-L1199 HydrophobicContact CE3-CD2 3.62Å; W1175-L1199 HydrophobicContact CE3-CG 4.46Å; W1175-L1199 HydrophobicContact CH2-CB 3.42Å; W1175-L1199 VanDerWaalsContact CH2-CB 3.43Å; W1175-L1199 HydrophobicContact CH2-CD2 4.34Å; W1175-L1199 HydrophobicContact CH2-CG 4.47Å; W1175-L1199 HydrophobicContact CZ2-CB 3.43Å; W1175-L1199 VanDerWaalsContact CZ2-CB 3.43Å; W1175-L1199 HydrophobicContact CZ3-CB 3.75Å; W1175-L1199 HydrophobicContact CZ3-CD2 3.77Å; W1175-L1199 HydrophobicContact CZ3-CG 4.43Å; L1182-L1199 HydrophobicContact CD2-CD1 3.59Å; L1182-L1199 VanDerWaalsContact CD2-CD1 3.45Å; L1182-L1199 HydrophobicContact CD2-CD2 3.57Å; L1182-L1199 VanDerWaalsContact CD2-CD2 3.47Å; L1182-L1199 HydrophobicContact CD2-CG 4.25Å; F1188-L1199 HydrophobicContact CB-CD1 4.27Å; F1188-L1199 HydrophobicContact CD1-CD1 4.42Å; R1189-L1199 CarbonylContact O-C 3.54Å; R1189-L1199 WeakPolarHBondContact O-CA 3.3Å; K1190-L1199 HydrophobicContact CG-CD1 4.06Å; L1199-Y1212 HydrophobicContact CD2-CD1 3.57Å; L1199-Y1212 HydrophobicContact CD2-CE1 3.79Å |
| 1200 | D | 92.6 | Very high | 88.5 | Confident | 50.6 Ų | 50.6 | 51.2 Ų | 51.2 | 27% | 0.271 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 130.4 | 173.8 | -65.5 | -84 | 0 | 0 | 0 | 110.1 | V1157 H1158 R1187 F1188 R1189 S1198 | V1157-D1200 CarbonylContact O-C 3.49Å; V1157-D1200 WeakPolarHBondContact O-CA 3.24Å; H1158-D1200 IonicContact CE1-OD1 3.01Å; H1158-D1200 PolarHBondContact CE1-OD1 3.28Å; H1158-D1200 IonicContact CE1-OD2 3.29Å; H1158-D1200 IonicContact CG-OD1 2.99Å; H1158-D1200 VanDerWaalsContact ND1-CG 3.28Å; H1158-D1200 IonicContact ND1-OD1 3.01Å; H1158-D1200 PolarHBondContact ND1-OD1 3Å; H1158-D1200 IonicContact ND1-OD2 3.19Å; H1158-D1200 PolarHBondContact ND1-OD2 3.02Å; R1187-D1200 VanDerWaalsContact O-O 3.08Å; F1188-D1200 CarbonylContact C-O 3.51Å; F1188-D1200 VanDerWaalsContact CA-O 3.32Å; F1188-D1200 WeakPolarHBondContact CA-O 3.35Å; R1189-D1200 HydrophobicContact CB-CB 4.2Å; R1189-D1200 PolarHBondContact N-O 2.86Å; R1189-D1200 PolarHBondContact O-N 3.08Å; S1198-D1200 PolarHBondContact OG-OD2 3.31Å |
| 1201 | V | 91.8 | Very high | 88.6 | Confident | 1.4 Ų | 1.4 | 49.3 Ų | 49.3 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 110 | 169.5 | -165 | 0 | 0 | 0 | 0 | 108 | P1156 V1157 R1187 F1188 Y1203 | P1156-V1201 CarbonylContact C-O 3.55Å; P1156-V1201 VanDerWaalsContact CA-O 3.22Å; P1156-V1201 WeakPolarHBondContact CA-O 3.2Å; V1157-V1201 HydrophobicContact CB-CB 3.95Å; V1157-V1201 HydrophobicContact CB-CG2 4.07Å; V1157-V1201 HydrophobicContact CG2-CB 4.33Å; V1157-V1201 PolarHBondContact N-O 3.09Å; V1157-V1201 PolarHBondContact O-N 3.07Å; R1187-V1201 HydrophobicContact CB-CG1 4.47Å; R1187-V1201 CarbonylContact O-C 3.45Å; R1187-V1201 VanDerWaalsContact O-CA 3.26Å; R1187-V1201 WeakPolarHBondContact O-CA 3.35Å; F1188-V1201 HydrophobicContact CD1-CB 4.4Å; F1188-V1201 HydrophobicContact CD1-CG1 4.02Å; F1188-V1201 HydrophobicContact CD1-CG2 3.9Å; F1188-V1201 HydrophobicContact CE1-CB 4.4Å; F1188-V1201 HydrophobicContact CE1-CG1 3.7Å; F1188-V1201 HydrophobicContact CE1-CG2 3.91Å; F1188-V1201 HydrophobicContact CZ-CG1 4.39Å; V1201-Y1203 VanDerWaalsContact C-N 3.3Å; V1201-Y1203 PolarHBondContact O-N 3.1Å |
| 1202 | A | 85.5 | Confident | 88.9 | Confident | 54.4 Ų | 54.4 | 47 Ų | 47 | 45% | 0.45 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -63.2 | -32.2 | -172 | 0 | 0 | 0 | 0 | 0 | 114.1 | P1156 R1187 | P1156-A1202 WeakPolarHBondContact CB-O 3.48Å; R1187-A1202 PolarHBondContact O-N 3.12Å |
| 1203 | Y | 86.9 | Confident | 89.2 | Confident | 84.8 Ų | 84.8 | 43.7 Ų | 43.7 | 33% | 0.333 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -158.5 | 131.5 | 172.6 | 48.8 | -84.6 | 0 | 0 | 0 | 109.1 | Q1155 R1187 V1201 F1205 | Q1155-Y1203 CarbonylContact O-C 3.49Å; Q1155-Y1203 WeakPolarHBondContact O-CA 3.48Å; R1187-Y1203 VanDerWaalsContact CD-CZ 3.45Å; R1187-Y1203 WeakPolarHBondContact CD-OH 3.24Å; R1187-Y1203 HydrophobicContact CG-CD1 4.44Å; R1187-Y1203 HydrophobicContact CG-CD2 4.42Å; R1187-Y1203 HydrophobicContact CG-CE1 3.83Å; R1187-Y1203 HydrophobicContact CG-CE2 3.88Å; R1187-Y1203 VanDerWaalsContact CG-CZ 3.41Å; R1187-Y1203 WeakPolarHBondContact CG-OH 3.33Å; R1187-Y1203 PolarHBondContact NH1-O 2.9Å; V1201-Y1203 VanDerWaalsContact C-N 3.3Å; V1201-Y1203 PolarHBondContact O-N 3.1Å; Y1203-F1205 AromaticContact CD2-CE2 3.86Å; Y1203-F1205 HydrophobicContact CD2-CE2 3.86Å; Y1203-F1205 AromaticContact CD2-CZ 3.78Å; Y1203-F1205 HydrophobicContact CD2-CZ 3.78Å; Y1203-F1205 AromaticContact CE2-CE2 3.71Å; Y1203-F1205 HydrophobicContact CE2-CE2 3.71Å; Y1203-F1205 AromaticContact CE2-CZ 3.68Å; Y1203-F1205 HydrophobicContact CE2-CZ 3.68Å |
| 1204 | S | 88.1 | Confident | 89.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -96.8 | 143.1 | -173.2 | 56.1 | 0 | 0 | 0 | 0 | 113.8 | Y1152 E1153 G1154 Q1155 D1208 | Y1152-S1204 PolarHBondContact O-OG 3.11Å; E1153-S1204 CarbonylContact C-O 3.52Å; E1153-S1204 WeakPolarHBondContact CA-O 3.25Å; G1154-S1204 PolarHBondContact N-O 3.01Å; Q1155-S1204 WeakPolarHBondContact O-CB 3.38Å; Q1155-S1204 PolarHBondContact O-N 2.95Å; Q1155-S1204 PolarHBondContact O-OG 3.32Å; S1204-D1208 VanDerWaalsContact CA-OD2 3.31Å; S1204-D1208 WeakPolarHBondContact CA-OD2 3.33Å | ||
| 1205 | F | 86.1 | Confident | 90.2 | Very high | 79.2 Ų | 79.2 | 33.9 Ų | 33.9 | 35% | 0.347 | 18% | 0.182 | S | C | . | . | trans | -113.1 | 160.2 | 172.3 | -66 | -65.2 | 0 | 0 | 0 | 110.8 | Y1203 E1207 D1208 V1231 | Y1203-F1205 AromaticContact CD2-CE2 3.86Å; Y1203-F1205 HydrophobicContact CD2-CE2 3.86Å; Y1203-F1205 AromaticContact CD2-CZ 3.78Å; Y1203-F1205 HydrophobicContact CD2-CZ 3.78Å; Y1203-F1205 AromaticContact CE2-CE2 3.71Å; Y1203-F1205 HydrophobicContact CE2-CE2 3.71Å; Y1203-F1205 AromaticContact CE2-CZ 3.68Å; Y1203-F1205 HydrophobicContact CE2-CZ 3.68Å; F1205-E1207 PolarHBondContact O-N 3Å; F1205-E1207 VanDerWaalsContact O-N 3.08Å; F1205-D1208 PolarHBondContact N-OD2 2.99Å; F1205-D1208 WeakPolarHBondContact O-CB 3.19Å; F1205-D1208 PolarHBondContact O-N 2.81Å; F1205-V1231 WeakPolarHBondContact O-CB 3.3Å; F1205-V1231 WeakPolarHBondContact O-CG1 3.4Å; F1205-V1231 WeakPolarHBondContact O-CG2 3.38Å | ||
| 1206 | P | 83 | Confident | 90.6 | Very high | 57.6 Ų | 57.6 | 33.6 Ų | 33.6 | 37% | 0.374 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -51.3 | -33.9 | 175.1 | -28.8 | 36.7 | 0 | 0 | 0 | 113.6 | E1153 D1208 S1209 | E1153-P1206 HydrophobicContact CG-CG 4.49Å; E1153-P1206 VanDerWaalsContact OE1-CD 3.28Å; E1153-P1206 WeakPolarHBondContact OE1-CD 3.36Å; P1206-D1208 VanDerWaalsContact C-N 3.3Å; P1206-D1208 PolarHBondContact O-N 3.32Å; P1206-S1209 VanDerWaalsContact O-CB 3.27Å; P1206-S1209 WeakPolarHBondContact O-CB 3.37Å; P1206-S1209 PolarHBondContact O-N 2.77Å; P1206-S1209 VanDerWaalsContact O-N 3.13Å; P1206-S1209 PolarHBondContact O-OG 2.89Å |
| 1207 | E | 86.7 | Confident | 90.6 | Very high | 171.6 Ų | 171.6 | 34.8 Ų | 34.8 | 80% | 0.802 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -67.2 | -21.9 | 177.4 | -61.9 | 177.4 | -156.7 | 0 | 0 | 114.4 | H1177 F1205 S1209 | H1177-E1207 PolarHBondContact CE1-O 3.44Å; F1205-E1207 PolarHBondContact O-N 3Å; F1205-E1207 VanDerWaalsContact O-N 3.08Å; E1207-S1209 PolarHBondContact O-N 3.07Å |
| 1208 | D | 89.2 | Confident | 90.3 | Very high | 9 Ų | 9 | 35.7 Ų | 35.7 | 5% | 0.048 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -77.3 | -10.6 | 175.2 | -58.7 | -42.1 | 0 | 0 | 0 | 112 | H1177 R1187 F1188 S1204 F1205 P1206 G1210 Y1212 L1229 V1231 | H1177-D1208 PolarHBondContact NE2-O 2.99Å; R1187-D1208 IonicContact CZ-OD1 3.05Å; R1187-D1208 IonicContact CZ-OD2 2.85Å; R1187-D1208 IonicContact NH1-OD1 3.33Å; R1187-D1208 PolarHBondContact NH1-OD1 2.95Å; R1187-D1208 IonicContact NH1-OD2 3.18Å; R1187-D1208 PolarHBondContact NH1-OD2 2.95Å; R1187-D1208 IonicContact NH2-OD1 3.48Å; R1187-D1208 PolarHBondContact NH2-OD1 3.12Å; R1187-D1208 IonicContact NH2-OD2 3.06Å; R1187-D1208 PolarHBondContact NH2-OD2 2.87Å; F1188-D1208 WeakPolarHBondContact CZ-OD1 3.44Å; S1204-D1208 VanDerWaalsContact CA-OD2 3.31Å; S1204-D1208 WeakPolarHBondContact CA-OD2 3.33Å; F1205-D1208 PolarHBondContact N-OD2 2.99Å; F1205-D1208 WeakPolarHBondContact O-CB 3.19Å; F1205-D1208 PolarHBondContact O-N 2.81Å; P1206-D1208 VanDerWaalsContact C-N 3.3Å; P1206-D1208 PolarHBondContact O-N 3.32Å; D1208-G1210 PolarHBondContact O-N 2.91Å; D1208-Y1212 VanDerWaalsContact O-CE2 3.32Å; D1208-Y1212 WeakPolarHBondContact O-CE2 3.31Å; D1208-Y1212 PolarHBondContact O-OH 3.14Å; D1208-L1229 HydrophobicContact CB-CD2 4.03Å; D1208-L1229 WeakPolarHBondContact O-CD2 3.34Å; D1208-V1231 HydrophobicContact CB-CG2 4.3Å |
| 1209 | S | 90 | Very high | 89.8 | Confident | 39.2 Ų | 39.2 | 43.3 Ų | 43.3 | 27% | 0.274 | 22% | 0.221 | S | C | . | . | trans | -58.2 | 139.3 | 175.1 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | H1177 N1178 P1206 E1207 L1229 V1231 | H1177-S1209 PolarHBondContact NE2-O 3.13Å; H1177-S1209 VanDerWaalsContact NE2-O 3.12Å; N1178-S1209 PolarHBondContact ND2-O 3.09Å; P1206-S1209 VanDerWaalsContact O-CB 3.27Å; P1206-S1209 WeakPolarHBondContact O-CB 3.37Å; P1206-S1209 PolarHBondContact O-N 2.77Å; P1206-S1209 VanDerWaalsContact O-N 3.13Å; P1206-S1209 PolarHBondContact O-OG 2.89Å; E1207-S1209 PolarHBondContact O-N 3.07Å; S1209-L1229 CarbonylContact C-O 3.54Å; S1209-L1229 WeakPolarHBondContact CA-O 3.25Å; S1209-V1231 VanDerWaalsContact OG-CB 3.3Å; S1209-V1231 WeakPolarHBondContact OG-CB 3.26Å; S1209-V1231 PolarHBondContact OG-N 2.8Å; S1209-V1231 PolarHBondContact OG-O 2.94Å | ||
| 1210 | G | 90.5 | Very high | 89.3 | Confident | 14.6 Ų | 14.6 | 48.7 Ų | 48.7 | 15% | 0.151 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148 | -177.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | N1178 D1208 Y1212 N1228 L1229 | N1178-G1210 WeakPolarHBondContact OD1-CA 3.12Å; D1208-G1210 PolarHBondContact O-N 2.91Å; G1210-Y1212 PolarHBondContact O-N 3.48Å; G1210-N1228 WeakPolarHBondContact O-CA 3.41Å; G1210-L1229 PolarHBondContact N-O 3.15Å; G1210-L1229 PolarHBondContact O-N 3.01Å |
| 1211 | T | 93.8 | Very high | 89 | Confident | 44 Ų | 44 | 47.6 Ų | 47.6 | 27% | 0.27 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 120.3 | 176.7 | -48.5 | 0 | 0 | 0 | 0 | 109.8 | H1177 N1178 E1226 A1227 N1228 | H1177-T1211 CarbonylContact C-O 3.54Å; H1177-T1211 WeakPolarHBondContact CA-O 3.39Å; N1178-T1211 PolarHBondContact N-O 3.08Å; N1178-T1211 PolarHBondContact OD1-N 2.91Å; N1178-T1211 VanDerWaalsContact OD1-N 3.14Å; T1211-E1226 HydrophobicContact CG2-CB 4.28Å; T1211-A1227 CarbonylContact C-O 3.45Å; T1211-A1227 WeakPolarHBondContact CA-O 3.37Å; T1211-N1228 WeakPolarHBondContact CA-OD1 3.32Å; T1211-N1228 WeakPolarHBondContact CB-OD1 3.31Å; T1211-N1228 PolarHBondContact OG1-OD1 2.88Å |
| 1212 | Y | 94.2 | Very high | 89 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 119.9 | 169.4 | -74.4 | -100.1 | 0 | 0 | 0 | 108.8 | M1146 F1159 L1176 H1177 L1182 L1199 D1208 G1210 E1226 A1227 L1229 | M1146-Y1212 VanDerWaalsContact CE-O 3.28Å; M1146-Y1212 WeakPolarHBondContact CE-O 3.35Å; F1159-Y1212 HydrophobicContact CD2-CD1 4.39Å; F1159-Y1212 HydrophobicContact CD2-CG 4.4Å; F1159-Y1212 HydrophobicContact CE2-CD1 4.29Å; F1159-Y1212 AromaticContact CE2-CD2 3.81Å; F1159-Y1212 HydrophobicContact CE2-CD2 3.81Å; F1159-Y1212 HydrophobicContact CE2-CE1 4.46Å; F1159-Y1212 HydrophobicContact CE2-CE2 4.21Å; F1159-Y1212 AromaticContact CE2-CG 3.86Å; F1159-Y1212 HydrophobicContact CE2-CG 3.86Å; F1159-Y1212 AromaticContact CZ-CD2 3.93Å; F1159-Y1212 HydrophobicContact CZ-CD2 4.05Å; F1159-Y1212 HydrophobicContact CZ-CG 4.36Å; L1176-Y1212 CarbonylContact O-C 3.53Å; L1176-Y1212 VanDerWaalsContact O-CA 3.31Å; L1176-Y1212 WeakPolarHBondContact O-CA 3.33Å; H1177-Y1212 HydrophobicContact CB-CD1 4.48Å; H1177-Y1212 HydrophobicContact CB-CE1 4.3Å; H1177-Y1212 AromaticContact CD2-CD2 3.83Å; H1177-Y1212 AromaticContact CD2-CE1 3.86Å; H1177-Y1212 AromaticContact CD2-CE2 3.37Å; H1177-Y1212 VanDerWaalsContact CD2-CE2 3.48Å; H1177-Y1212 WeakPolarHBondContact CD2-CE2 3.32Å; H1177-Y1212 AromaticContact CD2-CZ 3.36Å; H1177-Y1212 VanDerWaalsContact CD2-CZ 3.42Å; H1177-Y1212 AromaticContact NE2-CE2 3.69Å; H1177-Y1212 AromaticContact NE2-CZ 3.73Å; L1182-Y1212 HydrophobicContact CD1-CD1 4.46Å; L1182-Y1212 HydrophobicContact CD1-CE1 3.84Å; L1182-Y1212 HydrophobicContact CD2-CE1 4.35Å; L1199-Y1212 HydrophobicContact CD2-CD1 3.57Å; L1199-Y1212 HydrophobicContact CD2-CE1 3.79Å; D1208-Y1212 VanDerWaalsContact O-CE2 3.32Å; D1208-Y1212 WeakPolarHBondContact O-CE2 3.31Å; D1208-Y1212 PolarHBondContact O-OH 3.14Å; G1210-Y1212 PolarHBondContact O-N 3.48Å; Y1212-E1226 WeakPolarHBondContact O-CA 3.34Å; Y1212-A1227 PolarHBondContact N-O 3.04Å; Y1212-A1227 PolarHBondContact O-N 2.88Å; Y1212-L1229 HydrophobicContact CD2-CB 3.9Å; Y1212-L1229 HydrophobicContact CE2-CB 3.6Å; Y1212-L1229 HydrophobicContact CE2-CD2 3.81Å; Y1212-L1229 HydrophobicContact CE2-CG 4.35Å |
| 1213 | T | 94.7 | Very high | 89.2 | Confident | 9.4 Ų | 9.4 | 51.3 Ų | 51.3 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 118.9 | 177.3 | -51.1 | 0 | 0 | 0 | 0 | 108.8 | W1175 L1176 I1215 S1225 E1226 | W1175-T1213 WeakPolarHBondContact CA-O 3.45Å; L1176-T1213 PolarHBondContact N-O 2.94Å; L1176-T1213 PolarHBondContact O-N 2.95Å; T1213-I1215 HydrophobicContact CG2-CD1 4.39Å; T1213-I1215 HydrophobicContact CG2-CG1 3.83Å; T1213-S1225 CarbonylContact C-O 3.51Å; T1213-S1225 VanDerWaalsContact CA-O 3.32Å; T1213-S1225 WeakPolarHBondContact CA-O 3.36Å; T1213-E1226 HydrophobicContact CG2-CG 3.73Å; T1213-E1226 WeakPolarHBondContact CG2-OE1 3.35Å; T1213-E1226 PolarHBondContact OG1-OE1 3.03Å; T1213-E1226 VanDerWaalsContact OG1-OE1 3.07Å |
| 1214 | C | 93 | Very high | 89.5 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 119.3 | 168.4 | 179.1 | 0 | 0 | 0 | 0 | 108.5 | M1146 C1161 W1175 T1224 S1225 | M1146-C1214 HydrophobicContact CE-CB 3.91Å; M1146-C1214 HydrophobicContact SD-CB 3.78Å; C1161-C1214 VanDerWaalsContact SG-SG 3.7Å; W1175-C1214 HydrophobicContact CD2-CB 4.31Å; W1175-C1214 HydrophobicContact CE3-CB 4.09Å; W1175-C1214 HydrophobicContact CH2-CB 4.04Å; W1175-C1214 HydrophobicContact CZ2-CB 4.21Å; W1175-C1214 HydrophobicContact CZ3-CB 3.97Å; C1214-T1224 CarbonylContact O-C 3.55Å; C1214-T1224 VanDerWaalsContact O-CA 3.29Å; C1214-T1224 WeakPolarHBondContact O-CA 3.31Å; C1214-S1225 PolarHBondContact N-O 3.14Å; C1214-S1225 PolarHBondContact O-N 3.12Å |
| 1215 | I | 93.2 | Very high | 89.8 | Confident | 22 Ų | 22 | 50.7 Ų | 50.7 | 11% | 0.113 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 121.6 | 178.1 | -57.9 | -172.7 | 0 | 0 | 0 | 108.4 | V1173 E1174 L1176 T1213 Q1222 T1224 | V1173-I1215 CarbonylContact C-O 3.52Å; V1173-I1215 WeakPolarHBondContact CA-O 3.28Å; E1174-I1215 HydrophobicContact CB-CB 4.27Å; E1174-I1215 PolarHBondContact N-O 2.89Å; E1174-I1215 PolarHBondContact O-N 2.98Å; L1176-I1215 HydrophobicContact CD1-CD1 3.69Å; L1176-I1215 HydrophobicContact CD1-CG1 4.38Å; L1176-I1215 HydrophobicContact CG-CD1 4.22Å; T1213-I1215 HydrophobicContact CG2-CD1 4.39Å; T1213-I1215 HydrophobicContact CG2-CG1 3.83Å; I1215-Q1222 VanDerWaalsContact CG2-CD 3.48Å; I1215-Q1222 HydrophobicContact CG2-CG 3.75Å; I1215-Q1222 VanDerWaalsContact CG2-NE2 3.28Å; I1215-T1224 HydrophobicContact CB-CG2 4.42Å; I1215-T1224 HydrophobicContact CD1-CG2 4.49Å; I1215-T1224 HydrophobicContact CG1-CG2 3.98Å; I1215-T1224 HydrophobicContact CG2-CG2 4.29Å |
| 1216 | V | 91.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 122.4 | 176.2 | -167.7 | 0 | 0 | 0 | 0 | 109 | P1140 I1142 V1163 M1171 I1172 V1173 I1197 Q1222 A1223 | P1140-V1216 HydrophobicContact CB-CB 4.47Å; P1140-V1216 HydrophobicContact CB-CG1 4.26Å; P1140-V1216 VanDerWaalsContact CG-O 3.32Å; P1140-V1216 WeakPolarHBondContact CG-O 3.4Å; I1142-V1216 HydrophobicContact CD1-CG2 4.1Å; I1142-V1216 HydrophobicContact CG1-CG2 4.37Å; V1163-V1216 HydrophobicContact CB-CG1 4.37Å; V1163-V1216 HydrophobicContact CG1-CG1 4.32Å; V1163-V1216 HydrophobicContact CG2-CB 4.45Å; V1163-V1216 HydrophobicContact CG2-CG1 3.98Å; M1171-V1216 HydrophobicContact CG-CG1 3.52Å; M1171-V1216 VanDerWaalsContact CG-CG1 3.45Å; M1171-V1216 HydrophobicContact SD-CG1 3.52Å; M1171-V1216 VanDerWaalsContact SD-CG1 3.57Å; M1171-V1216 WeakPolarHBondContact SD-CG1 3.15Å; I1172-V1216 CarbonylContact O-C 3.53Å; I1172-V1216 WeakPolarHBondContact O-CA 3.34Å; V1173-V1216 HydrophobicContact CG2-CG1 4.19Å; V1173-V1216 HydrophobicContact CG2-CG2 4.29Å; I1197-V1216 HydrophobicContact CD1-CB 4.45Å; I1197-V1216 HydrophobicContact CD1-CG1 4.36Å; I1197-V1216 HydrophobicContact CD1-CG2 3.45Å; I1197-V1216 VanDerWaalsContact CD1-CG2 3.46Å; V1216-Q1222 CarbonylContact O-C 3.55Å; V1216-Q1222 VanDerWaalsContact O-CA 3.27Å; V1216-Q1222 WeakPolarHBondContact O-CA 3.35Å; V1216-A1223 PolarHBondContact N-O 3.07Å; V1216-A1223 PolarHBondContact O-N 3.05Å; V1216-A1223 VanDerWaalsContact O-O 3.09Å |
| 1217 | R | 90.6 | Very high | 90.6 | Very high | 91 Ų | 91 | 50 Ų | 50 | 34% | 0.343 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 145.1 | -179.1 | 65.5 | 178.8 | 179.6 | -153.5 | -5 | 112.2 | M1171 I1172 E1174 G1221 Q1222 | M1171-R1217 CarbonylContact C-O 3.53Å; M1171-R1217 WeakPolarHBondContact CA-O 3.22Å; I1172-R1217 HydrophobicContact CB-CG 3.92Å; I1172-R1217 HydrophobicContact CD1-CG 4.45Å; I1172-R1217 HydrophobicContact CG2-CG 4.42Å; I1172-R1217 PolarHBondContact N-O 3.01Å; I1172-R1217 PolarHBondContact O-N 3.03Å; E1174-R1217 IonicContact OE1-CZ 3.51Å; E1174-R1217 VanDerWaalsContact OE1-CZ 3.25Å; E1174-R1217 IonicContact OE1-NE 2.74Å; E1174-R1217 PolarHBondContact OE1-NE 3.05Å; E1174-R1217 IonicContact OE1-NH1 3.46Å; E1174-R1217 PolarHBondContact OE1-NH1 3.15Å; E1174-R1217 IonicContact OE1-NH2 2.97Å; E1174-R1217 PolarHBondContact OE1-NH2 3.18Å; E1174-R1217 IonicContact OE2-CZ 3.17Å; E1174-R1217 IonicContact OE2-NH1 3.2Å; E1174-R1217 PolarHBondContact OE2-NH1 2.73Å; E1174-R1217 IonicContact OE2-NH2 3.36Å; R1217-G1221 CarbonylContact C-O 3.56Å; R1217-G1221 VanDerWaalsContact CA-O 3.3Å; R1217-G1221 WeakPolarHBondContact CA-O 3.41Å; R1217-Q1222 HydrophobicContact CB-CB 4.11Å; R1217-Q1222 HydrophobicContact CB-CG 4.27Å |
| 1218 | N | 86.7 | Confident | 90.8 | Very high | 18 Ų | 18 | 45.4 Ų | 45.4 | 10% | 0.096 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | -170.6 | 166.9 | 73.3 | -1.5 | 0 | 0 | 0 | 110.4 | T1138 P1140 D1168 N1170 M1171 M1220 G1221 | T1138-N1218 PolarHBondContact O-ND2 3.08Å; P1140-N1218 VanDerWaalsContact CD-CG 3.5Å; P1140-N1218 VanDerWaalsContact CD-OD1 3.31Å; P1140-N1218 WeakPolarHBondContact CD-OD1 3.3Å; D1168-N1218 VanDerWaalsContact OD2-CB 3.27Å; D1168-N1218 WeakPolarHBondContact OD2-CB 3.41Å; D1168-N1218 PolarHBondContact OD2-ND2 3.04Å; N1170-N1218 WeakPolarHBondContact O-CA 3.2Å; M1171-N1218 HydrophobicContact SD-CB 3.93Å; N1218-M1220 PolarHBondContact O-N 2.91Å; N1218-M1220 VanDerWaalsContact O-N 3.15Å; N1218-M1220 WeakPolarHBondContact OD1-CA 3.32Å; N1218-M1220 WeakPolarHBondContact OD1-CB 3.24Å; N1218-M1220 PolarHBondContact OD1-N 3.05Å; N1218-G1221 PolarHBondContact N-O 3.17Å; N1218-G1221 PolarHBondContact O-N 2.94Å; N1218-G1221 PolarHBondContact OD1-N 2.98Å; N1218-G1221 PolarHBondContact OD1-O 3.13Å |
| 1219 | K | 82.8 | Confident | 91 | Very high | 163.4 Ų | 163.4 | 45.1 Ų | 45.1 | 71% | 0.71 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -16.9 | 177.2 | -76.2 | 174.4 | 174.3 | 160 | 0 | 114.4 | N1170 | N1170-K1219 HydrophobicContact CB-CD 4.11Å; N1170-K1219 HydrophobicContact CB-CG 4Å; N1170-K1219 WeakPolarHBondContact OD1-CD 3.38Å; N1170-K1219 WeakPolarHBondContact OD1-CE 3.37Å; N1170-K1219 PolarHBondContact OD1-NZ 3.06Å |
| 1220 | M | 84.2 | Confident | 91 | Very high | 113.4 Ų | 113.4 | 46.3 Ų | 46.3 | 56% | 0.559 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -12.8 | -173.7 | -61.6 | -60 | -69.2 | 0 | 0 | 113.8 | F1137 S1139 N1218 | F1137-M1220 HydrophobicContact CB-CG 4.23Å; F1137-M1220 WeakPolarHBondContact O-CG 3.33Å; S1139-M1220 WeakPolarHBondContact CB-O 3.48Å; S1139-M1220 PolarHBondContact OG-O 3.1Å; N1218-M1220 PolarHBondContact O-N 2.91Å; N1218-M1220 VanDerWaalsContact O-N 3.15Å; N1218-M1220 WeakPolarHBondContact OD1-CA 3.32Å; N1218-M1220 WeakPolarHBondContact OD1-CB 3.24Å; N1218-M1220 PolarHBondContact OD1-N 3.05Å |
| 1221 | G | 85.9 | Confident | 90.8 | Very high | 27.6 Ų | 27.6 | 46 Ų | 46 | 29% | 0.285 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 164 | -164.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | P1140 R1217 N1218 | P1140-G1221 WeakPolarHBondContact CD-O 3.39Å; R1217-G1221 CarbonylContact C-O 3.56Å; R1217-G1221 VanDerWaalsContact CA-O 3.3Å; R1217-G1221 WeakPolarHBondContact CA-O 3.41Å; N1218-G1221 PolarHBondContact N-O 3.17Å; N1218-G1221 PolarHBondContact O-N 2.94Å; N1218-G1221 PolarHBondContact OD1-N 2.98Å; N1218-G1221 PolarHBondContact OD1-O 3.13Å |
| 1222 | Q | 90.9 | Very high | 90.1 | Very high | 116.2 Ų | 116.2 | 46.5 Ų | 46.5 | 54% | 0.543 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 140.6 | -177.7 | 173.7 | -178.5 | -32.6 | 0 | 0 | 109.8 | I1215 V1216 R1217 T1224 | I1215-Q1222 VanDerWaalsContact CG2-CD 3.48Å; I1215-Q1222 HydrophobicContact CG2-CG 3.75Å; I1215-Q1222 VanDerWaalsContact CG2-NE2 3.28Å; V1216-Q1222 CarbonylContact O-C 3.55Å; V1216-Q1222 VanDerWaalsContact O-CA 3.27Å; V1216-Q1222 WeakPolarHBondContact O-CA 3.35Å; R1217-Q1222 HydrophobicContact CB-CB 4.11Å; R1217-Q1222 HydrophobicContact CB-CG 4.27Å; Q1222-T1224 HydrophobicContact CG-CG2 4.25Å; Q1222-T1224 VanDerWaalsContact NE2-CG2 3.28Å |
| 1223 | A | 91.4 | Very high | 88.7 | Confident | 16.6 Ų | 16.6 | 48.1 Ų | 48.1 | 14% | 0.137 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 155.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | P1140 I1142 V1216 | P1140-A1223 HydrophobicContact CB-CB 4.34Å; P1140-A1223 HydrophobicContact CG-CB 4.24Å; P1140-A1223 VanDerWaalsContact O-CB 3.32Å; P1140-A1223 WeakPolarHBondContact O-CB 3.32Å; I1142-A1223 HydrophobicContact CD1-CB 3.98Å; I1142-A1223 HydrophobicContact CG1-CB 3.85Å; V1216-A1223 PolarHBondContact N-O 3.07Å; V1216-A1223 PolarHBondContact O-N 3.05Å; V1216-A1223 VanDerWaalsContact O-O 3.09Å |
| 1224 | T | 92.7 | Very high | 86.8 | Confident | 70 Ų | 70 | 56.5 Ų | 56.5 | 43% | 0.429 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 136.1 | -177.9 | 55.9 | 0 | 0 | 0 | 0 | 109.9 | C1214 I1215 Q1222 | C1214-T1224 CarbonylContact O-C 3.55Å; C1214-T1224 VanDerWaalsContact O-CA 3.29Å; C1214-T1224 WeakPolarHBondContact O-CA 3.31Å; I1215-T1224 HydrophobicContact CB-CG2 4.42Å; I1215-T1224 HydrophobicContact CD1-CG2 4.49Å; I1215-T1224 HydrophobicContact CG1-CG2 3.98Å; I1215-T1224 HydrophobicContact CG2-CG2 4.29Å; Q1222-T1224 HydrophobicContact CG-CG2 4.25Å; Q1222-T1224 VanDerWaalsContact NE2-CG2 3.28Å |
| 1225 | S | 93.4 | Very high | 84.6 | Confident | 1.6 Ų | 1.6 | 62 Ų | 62 | 1% | 0.011 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 143.4 | 169 | -169.1 | 0 | 0 | 0 | 0 | 108.7 | Q1145 M1146 T1213 C1214 | Q1145-S1225 VanDerWaalsContact OE1-CB 3.27Å; Q1145-S1225 PolarHBondContact OE1-OG 2.82Å; Q1145-S1225 VanDerWaalsContact OE1-OG 3.1Å; M1146-S1225 VanDerWaalsContact CE-C 3.48Å; M1146-S1225 VanDerWaalsContact CE-O 3.28Å; M1146-S1225 WeakPolarHBondContact CE-O 3.38Å; M1146-S1225 PolarHBondContact N-OG 2.94Å; M1146-S1225 VanDerWaalsContact N-OG 3.1Å; T1213-S1225 CarbonylContact C-O 3.51Å; T1213-S1225 VanDerWaalsContact CA-O 3.32Å; T1213-S1225 WeakPolarHBondContact CA-O 3.36Å; C1214-S1225 PolarHBondContact N-O 3.14Å; C1214-S1225 PolarHBondContact O-N 3.12Å |
| 1226 | E | 93.5 | Very high | 82.1 | Confident | 121.8 Ų | 121.8 | 64.1 Ų | 64.1 | 57% | 0.569 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 131.8 | -178.8 | -65.1 | -167 | 150.2 | 0 | 0 | 110.8 | T1211 Y1212 T1213 | T1211-E1226 HydrophobicContact CG2-CB 4.28Å; Y1212-E1226 WeakPolarHBondContact O-CA 3.34Å; T1213-E1226 HydrophobicContact CG2-CG 3.73Å; T1213-E1226 WeakPolarHBondContact CG2-OE1 3.35Å; T1213-E1226 PolarHBondContact OG1-OE1 3.03Å; T1213-E1226 VanDerWaalsContact OG1-OE1 3.07Å |
| 1227 | A | 92.4 | Very high | 79.6 | Confident | 0.2 Ų | 0.2 | 71.9 Ų | 71.9 | 0% | 0.002 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 146 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | M1146 D1147 F1159 T1211 Y1212 | M1146-A1227 HydrophobicContact CB-CB 3.71Å; M1146-A1227 HydrophobicContact CE-CB 4.07Å; D1147-A1227 VanDerWaalsContact O-CB 3.31Å; D1147-A1227 WeakPolarHBondContact O-CB 3.3Å; F1159-A1227 HydrophobicContact CD1-CB 3.9Å; F1159-A1227 HydrophobicContact CE1-CB 3.63Å; T1211-A1227 CarbonylContact C-O 3.45Å; T1211-A1227 WeakPolarHBondContact CA-O 3.37Å; Y1212-A1227 PolarHBondContact N-O 3.04Å; Y1212-A1227 PolarHBondContact O-N 2.88Å |
| 1228 | N | 92.9 | Very high | 77.1 | Confident | 75.4 Ų | 75.4 | 74.5 Ų | 74.5 | 40% | 0.403 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 128.9 | 175.9 | -68.4 | -60.6 | 0 | 0 | 0 | 110.8 | S1148 V1149 G1210 T1211 | S1148-N1228 CarbonylContact C-O 3.5Å; S1148-N1228 WeakPolarHBondContact CA-O 3.38Å; S1148-N1228 WeakPolarHBondContact CB-O 3.27Å; S1148-N1228 PolarHBondContact OG-N 2.98Å; V1149-N1228 PolarHBondContact N-O 3.08Å; G1210-N1228 WeakPolarHBondContact O-CA 3.41Å; T1211-N1228 WeakPolarHBondContact CA-OD1 3.32Å; T1211-N1228 WeakPolarHBondContact CB-OD1 3.31Å; T1211-N1228 PolarHBondContact OG1-OD1 2.88Å |
| 1229 | L | 91.6 | Very high | 74.8 | Confident | 2.8 Ų | 2.8 | 77.6 Ų | 77.6 | 2% | 0.015 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 126.4 | 163.9 | -178.7 | 52 | 0 | 0 | 0 | 109.2 | V1149 V1157 F1159 D1208 S1209 G1210 Y1212 V1231 | V1149-L1229 HydrophobicContact CG2-CD1 3.93Å; V1149-L1229 WeakPolarHBondContact O-CA 3.45Å; V1157-L1229 HydrophobicContact CB-CD1 4.47Å; V1157-L1229 HydrophobicContact CG1-CD1 3.84Å; V1157-L1229 HydrophobicContact CG1-CD2 4.35Å; V1157-L1229 HydrophobicContact CG2-CD1 3.9Å; V1157-L1229 HydrophobicContact CG2-CD2 4.16Å; F1159-L1229 HydrophobicContact CE2-CB 4.47Å; F1159-L1229 HydrophobicContact CZ-CB 4.03Å; D1208-L1229 HydrophobicContact CB-CD2 4.03Å; D1208-L1229 WeakPolarHBondContact O-CD2 3.34Å; S1209-L1229 CarbonylContact C-O 3.54Å; S1209-L1229 WeakPolarHBondContact CA-O 3.25Å; G1210-L1229 PolarHBondContact N-O 3.15Å; G1210-L1229 PolarHBondContact O-N 3.01Å; Y1212-L1229 HydrophobicContact CD2-CB 3.9Å; Y1212-L1229 HydrophobicContact CE2-CB 3.6Å; Y1212-L1229 HydrophobicContact CE2-CD2 3.81Å; Y1212-L1229 HydrophobicContact CE2-CG 4.35Å; L1229-V1231 HydrophobicContact CD1-CG2 4.04Å; L1229-V1231 HydrophobicContact CD2-CG2 3.77Å; L1229-V1231 HydrophobicContact CG-CG2 3.66Å |
| 1230 | T | 90.7 | Very high | 72.7 | Confident | 63.6 Ų | 63.6 | 73.8 Ų | 73.8 | 39% | 0.39 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 106.5 | 167.9 | -57.4 | 0 | 0 | 0 | 0 | 109.4 | V1149 Q1150 H1151 L1232 | V1149-T1230 PolarHBondContact O-N 3.1Å; Q1150-T1230 WeakPolarHBondContact CA-O 3.37Å; Q1150-T1230 HydrophobicContact CG-CG2 4.29Å; H1151-T1230 PolarHBondContact N-O 3.07Å; H1151-T1230 VanDerWaalsContact N-O 3.09Å; T1230-L1232 HydrophobicContact CG2-CD2 4.21Å; T1230-L1232 PolarHBondContact O-N 2.87Å |
| 1231 | V | 86.7 | Confident | 70.6 | Confident | 9.2 Ų | 9.2 | 72.7 Ų | 72.7 | 6% | 0.056 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 111.3 | 176.1 | -168.8 | 0 | 0 | 0 | 0 | 109.5 | H1151 E1153 F1205 D1208 S1209 L1229 G1233 | H1151-V1231 CarbonylContact O-C 3.5Å; H1151-V1231 VanDerWaalsContact O-CA 3.29Å; H1151-V1231 WeakPolarHBondContact O-CA 3.25Å; E1153-V1231 HydrophobicContact CB-CG1 4.26Å; F1205-V1231 WeakPolarHBondContact O-CB 3.3Å; F1205-V1231 WeakPolarHBondContact O-CG1 3.4Å; F1205-V1231 WeakPolarHBondContact O-CG2 3.38Å; D1208-V1231 HydrophobicContact CB-CG2 4.3Å; S1209-V1231 VanDerWaalsContact OG-CB 3.3Å; S1209-V1231 WeakPolarHBondContact OG-CB 3.26Å; S1209-V1231 PolarHBondContact OG-N 2.8Å; S1209-V1231 PolarHBondContact OG-O 2.94Å; L1229-V1231 HydrophobicContact CD1-CG2 4.04Å; L1229-V1231 HydrophobicContact CD2-CG2 3.77Å; L1229-V1231 HydrophobicContact CG-CG2 3.66Å; V1231-G1233 PolarHBondContact O-N 2.91Å; V1231-G1233 VanDerWaalsContact O-N 3.12Å |
| 1232 | L | 79.6 | Confident | 68.6 | Low | 53.4 Ų | 53.4 | 76.1 Ų | 76.1 | 28% | 0.28 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 111.8 | 174.6 | -65.5 | -173.3 | 0 | 0 | 0 | 109.9 | Q1150 H1151 Y1152 E1153 T1230 R1234 N1301 | Q1150-L1232 HydrophobicContact CG-CD1 4.06Å; Q1150-L1232 HydrophobicContact CG-CG 4.11Å; Q1150-L1232 VanDerWaalsContact NE2-CD1 3.3Å; H1151-L1232 PolarHBondContact O-N 2.9Å; Y1152-L1232 WeakPolarHBondContact CA-O 3.49Å; Y1152-L1232 HydrophobicContact CD1-CB 3.73Å; Y1152-L1232 HydrophobicContact CD1-CD1 4.31Å; Y1152-L1232 HydrophobicContact CE1-CB 3.95Å; Y1152-L1232 HydrophobicContact CE1-CD1 3.75Å; Y1152-L1232 HydrophobicContact CE1-CG 4.43Å; Y1152-L1232 HydrophobicContact CG-CB 4.48Å; E1153-L1232 PolarHBondContact N-O 3.09Å; E1153-L1232 VanDerWaalsContact N-O 3.12Å; T1230-L1232 HydrophobicContact CG2-CD2 4.21Å; T1230-L1232 PolarHBondContact O-N 2.87Å; L1232-R1234 PolarHBondContact O-N 2.91Å; L1232-N1301 HydrophobicContact CB-CB 3.73Å; L1232-N1301 HydrophobicContact CD1-CB 3.36Å; L1232-N1301 HydrophobicContact CG-CB 3.51Å |
| 1233 | G | 63.5 | Low | 66.4 | Low | 34.8 Ų | 34.8 | 79.6 Ų | 79.6 | 36% | 0.359 | 47% | 0.466 | S | S | . | . | trans | -61.1 | 140.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1153 V1231 S1235 | E1153-G1233 VanDerWaalsContact OE2-CA 3.29Å; E1153-G1233 WeakPolarHBondContact OE2-CA 3.25Å; V1231-G1233 PolarHBondContact O-N 2.91Å; V1231-G1233 VanDerWaalsContact O-N 3.12Å; G1233-S1235 PolarHBondContact O-N 3.08Å | ||
| 1234 | R | 55.4 | Low | 64.5 | Low | 184.6 Ų | 184.6 | 84.4 Ų | 84.4 | 70% | 0.697 | 50% | 0.496 | S | S | * | . | trans | -71.5 | 107.9 | 177.4 | -84.8 | -178.4 | 171.1 | -174 | -1.6 | 110.2 | Y1152 E1153 L1232 G1236 | Y1152-R1234 HydrophobicContact CD1-CG 4.28Å; E1153-R1234 HydrophobicContact CB-CG 4.2Å; E1153-R1234 PolarHBondContact O-NE 2.87Å; E1153-R1234 PolarHBondContact O-NH2 2.69Å; E1153-R1234 PolarHBondContact OE2-N 2.94Å; L1232-R1234 PolarHBondContact O-N 2.91Å; R1234-G1236 VanDerWaalsContact C-N 3.34Å; R1234-G1236 PolarHBondContact O-N 3.1Å; R1234-G1236 VanDerWaalsContact O-N 3.17Å | ||
| 1235 | S | 47.1 | Very low | 62.8 | Low | 117 Ų | 117 | 88.7 Ų | 88.7 | 82% | 0.818 | 51% | 0.511 | S | S | * | . | trans | -85.4 | 90 | 178.6 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | G1233 R1304 | G1233-S1235 PolarHBondContact O-N 3.08Å; S1235-R1304 PolarHBondContact OG-NH2 2.78Å | ||
| 1236 | G | 40.1 | Very low | 60.8 | Low | 66.4 Ų | 66.4 | 90.7 Ų | 90.7 | 69% | 0.685 | 53% | 0.525 | S | S | * | . | trans | 134.5 | 108.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1234 | R1234-G1236 VanDerWaalsContact C-N 3.34Å; R1234-G1236 PolarHBondContact O-N 3.1Å; R1234-G1236 VanDerWaalsContact O-N 3.17Å | ||
| 1237 | I | 39 | Very low | 59 | Low | 162 Ų | 162 | 92.5 Ų | 92.5 | 83% | 0.831 | 53% | 0.526 | S | S | * | . | trans | -120.4 | 106.8 | 130.2 | -66.8 | 168.6 | 0 | 0 | 0 | 111.5 | A1239 | I1237-A1239 VanDerWaalsContact C-N 3.25Å; I1237-A1239 HydrophobicContact CG2-CB 4.36Å; I1237-A1239 PolarHBondContact O-N 3.15Å | ||
| 1238 | L | 38.6 | Very low | 57.6 | Low | 145.6 Ų | 145.6 | 99 Ų | 99 | 76% | 0.762 | 56% | 0.557 | S | S | * | * | trans | -79.9 | 89.3 | 175.7 | -72.7 | 151.6 | 0 | 0 | 0 | 113.7 | Y1152 A1240 T1241 | Y1152-L1238 HydrophobicContact CD1-CD1 3.3Å; Y1152-L1238 HydrophobicContact CD1-CD2 3.79Å; Y1152-L1238 HydrophobicContact CD1-CG 4.07Å; Y1152-L1238 HydrophobicContact CD2-CD1 3.93Å; Y1152-L1238 HydrophobicContact CE1-CB 4.23Å; Y1152-L1238 HydrophobicContact CE1-CD1 3.67Å; Y1152-L1238 HydrophobicContact CE1-CD2 3.48Å; Y1152-L1238 VanDerWaalsContact CE1-CD2 3.48Å; Y1152-L1238 HydrophobicContact CE1-CG 3.96Å; Y1152-L1238 HydrophobicContact CE2-CB 4.5Å; Y1152-L1238 HydrophobicContact CE2-CD1 4.21Å; Y1152-L1238 HydrophobicContact CG-CD1 3.45Å; Y1152-L1238 VanDerWaalsContact CG-CD1 3.45Å; L1238-A1240 PolarHBondContact O-N 2.89Å; L1238-T1241 PolarHBondContact O-OG1 3.01Å | ||
| 1239 | A | 38 | Very low | 56.1 | Low | 84 Ų | 84 | 102.6 Ų | 102.6 | 69% | 0.694 | 57% | 0.569 | S | S | * | * | trans | -98.7 | 57.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1237 T1241 W1247 | I1237-A1239 VanDerWaalsContact C-N 3.25Å; I1237-A1239 HydrophobicContact CG2-CB 4.36Å; I1237-A1239 PolarHBondContact O-N 3.15Å; A1239-T1241 HydrophobicContact CB-CG2 4.46Å; A1239-T1241 PolarHBondContact O-N 2.88Å; A1239-W1247 HydrophobicContact CB-CH2 4.21Å; A1239-W1247 HydrophobicContact CB-CZ2 4.11Å; A1239-W1247 WeakPolarHBondContact O-CZ2 3.36Å | ||
| 1240 | A | 38.7 | Very low | 54.6 | Low | 82.6 Ų | 82.6 | 105.9 Ų | 105.9 | 68% | 0.683 | 59% | 0.586 | S | S | * | * | trans | -109.2 | 71.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1152 L1238 S1242 | Y1152-A1240 PolarHBondContact OH-O 2.88Å; L1238-A1240 PolarHBondContact O-N 2.89Å; A1240-S1242 PolarHBondContact O-N 2.87Å | ||
| 1241 | T | 40.1 | Very low | 53.2 | Low | 91.4 Ų | 91.4 | 108 Ų | 108 | 56% | 0.561 | 59% | 0.591 | S | S | * | * | trans | -110.7 | 83.2 | -178.1 | 47.2 | 0 | 0 | 0 | 0 | 113.3 | L1238 A1239 R1243 W1247 I1250 | L1238-T1241 PolarHBondContact O-OG1 3.01Å; A1239-T1241 HydrophobicContact CB-CG2 4.46Å; A1239-T1241 PolarHBondContact O-N 2.88Å; T1241-R1243 PolarHBondContact O-N 2.85Å; T1241-W1247 VanDerWaalsContact CG2-CA 3.47Å; T1241-W1247 HydrophobicContact CG2-CB 3.44Å; T1241-W1247 VanDerWaalsContact CG2-CB 3.44Å; T1241-W1247 HydrophobicContact CG2-CD2 4.08Å; T1241-W1247 HydrophobicContact CG2-CE3 3.81Å; T1241-W1247 HydrophobicContact CG2-CG 3.96Å; T1241-W1247 VanDerWaalsContact CG2-N 3.3Å; T1241-I1250 HydrophobicContact CG2-CD1 4.18Å | ||
| 1242 | S | 44.8 | Very low | 52.2 | Low | 98 Ų | 98 | 112.7 Ų | 112.7 | 69% | 0.685 | 62% | 0.616 | S | S | * | * | trans | -89.1 | 9.8 | -177.8 | 57.7 | 0 | 0 | 0 | 0 | 117.3 | A1240 | A1240-S1242 PolarHBondContact O-N 2.87Š| ||
| 1243 | R | 44.7 | Very low | 51.1 | Low | 191 Ų | 191 | 117.6 Ų | 117.6 | 72% | 0.721 | 64% | 0.635 | S | S | * | * | trans | -117.4 | 127.2 | -178.7 | -78 | -176.3 | 177 | 170.8 | 0.5 | 113.1 | T1241 E1245 S1246 W1247 | T1241-R1243 PolarHBondContact O-N 2.85Å; R1243-E1245 VanDerWaalsContact C-N 3.32Å; R1243-E1245 PolarHBondContact O-N 3.04Å; R1243-S1246 VanDerWaalsContact CB-OG 3.27Å; R1243-S1246 WeakPolarHBondContact CB-OG 3.32Å; R1243-S1246 CarbonylContact O-C 3.54Å; R1243-S1246 WeakPolarHBondContact O-CA 3.45Å; R1243-S1246 VanDerWaalsContact O-CB 3.25Å; R1243-S1246 WeakPolarHBondContact O-CB 3.27Å; R1243-S1246 PolarHBondContact O-N 3.02Å; R1243-S1246 VanDerWaalsContact O-N 3.1Å; R1243-S1246 PolarHBondContact O-OG 2.97Å; R1243-S1246 VanDerWaalsContact O-OG 3.07Å; R1243-W1247 PolarHBondContact O-N 2.72Å | ||
| 1244 | P | 51.7 | Low | 50.8 | Low | 116.6 Ų | 116.6 | 122.6 Ų | 122.6 | 76% | 0.757 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -32.9 | -178.4 | -26.6 | 35.1 | 0 | 0 | 0 | 115.6 | S1246 W1247 Q1248 | P1244-S1246 VanDerWaalsContact C-N 3.3Å; P1244-S1246 PolarHBondContact O-N 3.1Å; P1244-W1247 PolarHBondContact O-N 2.89Å; P1244-W1247 VanDerWaalsContact O-N 3.11Å; P1244-Q1248 PolarHBondContact O-N 3.11Å |
| 1245 | E | 56.6 | Low | 50.8 | Low | 161.2 Ų | 161.2 | 119.6 Ų | 119.6 | 75% | 0.753 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -19.1 | 179.4 | -62.6 | -178.1 | 168.4 | 0 | 0 | 113.2 | R1243 W1247 Q1248 K1249 | R1243-E1245 VanDerWaalsContact C-N 3.32Å; R1243-E1245 PolarHBondContact O-N 3.04Å; E1245-W1247 VanDerWaalsContact C-N 3.32Å; E1245-W1247 PolarHBondContact O-N 2.89Å; E1245-Q1248 PolarHBondContact O-N 2.9Å; E1245-K1249 PolarHBondContact O-N 3.48Å |
| 1246 | S | 51.9 | Low | 50.9 | Low | 43 Ų | 43 | 123 Ų | 123 | 30% | 0.301 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -68.3 | -33.4 | 178.2 | -48.2 | 0 | 0 | 0 | 0 | 112.1 | R1243 P1244 Q1248 K1249 I1250 | R1243-S1246 VanDerWaalsContact CB-OG 3.27Å; R1243-S1246 WeakPolarHBondContact CB-OG 3.32Å; R1243-S1246 CarbonylContact O-C 3.54Å; R1243-S1246 WeakPolarHBondContact O-CA 3.45Å; R1243-S1246 VanDerWaalsContact O-CB 3.25Å; R1243-S1246 WeakPolarHBondContact O-CB 3.27Å; R1243-S1246 PolarHBondContact O-N 3.02Å; R1243-S1246 VanDerWaalsContact O-N 3.1Å; R1243-S1246 PolarHBondContact O-OG 2.97Å; R1243-S1246 VanDerWaalsContact O-OG 3.07Å; P1244-S1246 VanDerWaalsContact C-N 3.3Å; P1244-S1246 PolarHBondContact O-N 3.1Å; S1246-Q1248 VanDerWaalsContact C-N 3.3Å; S1246-Q1248 PolarHBondContact O-N 2.95Å; S1246-K1249 PolarHBondContact O-N 3.02Å; S1246-K1249 VanDerWaalsContact O-N 3.11Å; S1246-I1250 VanDerWaalsContact O-CB 3.32Å; S1246-I1250 WeakPolarHBondContact O-CB 3.36Å; S1246-I1250 WeakPolarHBondContact O-CD1 3.43Å; S1246-I1250 VanDerWaalsContact O-CG1 3.31Å; S1246-I1250 WeakPolarHBondContact O-CG1 3.31Å; S1246-I1250 PolarHBondContact O-N 3.1Å |
| 1247 | W | 55 | Low | 51.1 | Low | 159.8 Ų | 159.8 | 125.3 Ų | 125.3 | 61% | 0.605 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -62.4 | -36.2 | 179.7 | -101 | 117.1 | 0 | 0 | 0 | 112.7 | A1239 T1241 R1243 P1244 E1245 I1250 Q1251 E1254 | A1239-W1247 HydrophobicContact CB-CH2 4.21Å; A1239-W1247 HydrophobicContact CB-CZ2 4.11Å; A1239-W1247 WeakPolarHBondContact O-CZ2 3.36Å; T1241-W1247 VanDerWaalsContact CG2-CA 3.47Å; T1241-W1247 HydrophobicContact CG2-CB 3.44Å; T1241-W1247 VanDerWaalsContact CG2-CB 3.44Å; T1241-W1247 HydrophobicContact CG2-CD2 4.08Å; T1241-W1247 HydrophobicContact CG2-CE3 3.81Å; T1241-W1247 HydrophobicContact CG2-CG 3.96Å; T1241-W1247 VanDerWaalsContact CG2-N 3.3Å; R1243-W1247 PolarHBondContact O-N 2.72Å; P1244-W1247 PolarHBondContact O-N 2.89Å; P1244-W1247 VanDerWaalsContact O-N 3.11Å; E1245-W1247 VanDerWaalsContact C-N 3.32Å; E1245-W1247 PolarHBondContact O-N 2.89Å; W1247-I1250 HydrophobicContact CE3-CB 3.88Å; W1247-I1250 HydrophobicContact CE3-CD1 4.42Å; W1247-I1250 HydrophobicContact CE3-CG2 3.93Å; W1247-I1250 HydrophobicContact CZ3-CB 4.02Å; W1247-I1250 HydrophobicContact CZ3-CG2 3.52Å; W1247-I1250 PolarHBondContact O-N 2.94Å; W1247-Q1251 HydrophobicContact CD2-CG 4.4Å; W1247-Q1251 HydrophobicContact CZ2-CG 4.45Å; W1247-Q1251 VanDerWaalsContact O-CB 3.27Å; W1247-Q1251 WeakPolarHBondContact O-CB 3.42Å; W1247-Q1251 VanDerWaalsContact O-CG 3.29Å; W1247-Q1251 WeakPolarHBondContact O-CG 3.5Å; W1247-Q1251 PolarHBondContact O-N 3.13Å; W1247-E1254 WeakPolarHBondContact CH2-OE2 3.45Å |
| 1248 | Q | 63.6 | Low | 51.2 | Low | 136.6 Ų | 136.6 | 122.6 Ų | 122.6 | 64% | 0.638 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71.1 | -38.7 | -179.9 | -158.3 | 162.4 | 11.9 | 0 | 0 | 111.7 | P1244 E1245 S1246 Q1251 D1252 | P1244-Q1248 PolarHBondContact O-N 3.11Å; E1245-Q1248 PolarHBondContact O-N 2.9Å; S1246-Q1248 VanDerWaalsContact C-N 3.3Å; S1246-Q1248 PolarHBondContact O-N 2.95Å; Q1248-Q1251 CarbonylContact O-C 3.54Å; Q1248-Q1251 PolarHBondContact O-N 2.99Å; Q1248-D1252 WeakPolarHBondContact O-CB 3.44Å; Q1248-D1252 VanDerWaalsContact O-CG 3.28Å; Q1248-D1252 PolarHBondContact O-N 2.87Å; Q1248-D1252 VanDerWaalsContact O-N 3.07Å |
| 1249 | K | 60.4 | Low | 51.5 | Low | 152 Ų | 152 | 124.6 Ų | 124.6 | 66% | 0.661 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.6 | -37 | 173.6 | -77.2 | -178.8 | 176.7 | 175.3 | 0 | 113.2 | E1245 S1246 Q1251 D1252 F1253 | E1245-K1249 PolarHBondContact O-N 3.48Å; S1246-K1249 PolarHBondContact O-N 3.02Å; S1246-K1249 VanDerWaalsContact O-N 3.11Å; K1249-Q1251 VanDerWaalsContact C-N 3.34Å; K1249-D1252 PolarHBondContact O-N 2.98Å; K1249-F1253 WeakPolarHBondContact O-CD2 3.3Å; K1249-F1253 PolarHBondContact O-N 3.06Å |
| 1250 | I | 59.4 | Low | 51.7 | Low | 70.6 Ų | 70.6 | 128.6 Ų | 128.6 | 36% | 0.362 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -65.7 | -44.6 | 175.4 | -67.3 | 165 | 0 | 0 | 0 | 109.3 | T1241 S1246 W1247 D1252 F1253 E1254 | T1241-I1250 HydrophobicContact CG2-CD1 4.18Å; S1246-I1250 VanDerWaalsContact O-CB 3.32Å; S1246-I1250 WeakPolarHBondContact O-CB 3.36Å; S1246-I1250 WeakPolarHBondContact O-CD1 3.43Å; S1246-I1250 VanDerWaalsContact O-CG1 3.31Å; S1246-I1250 WeakPolarHBondContact O-CG1 3.31Å; S1246-I1250 PolarHBondContact O-N 3.1Å; W1247-I1250 HydrophobicContact CE3-CB 3.88Å; W1247-I1250 HydrophobicContact CE3-CD1 4.42Å; W1247-I1250 HydrophobicContact CE3-CG2 3.93Å; W1247-I1250 HydrophobicContact CZ3-CB 4.02Å; W1247-I1250 HydrophobicContact CZ3-CG2 3.52Å; W1247-I1250 PolarHBondContact O-N 2.94Å; I1250-D1252 VanDerWaalsContact C-N 3.33Å; I1250-D1252 PolarHBondContact O-N 3.02Å; I1250-F1253 CarbonylContact O-C 3.55Å; I1250-F1253 WeakPolarHBondContact O-CA 3.01Å; I1250-F1253 PolarHBondContact O-N 2.89Å; I1250-F1253 VanDerWaalsContact O-N 3.1Å; I1250-E1254 HydrophobicContact CG2-CG 4.22Å; I1250-E1254 WeakPolarHBondContact CG2-OE1 3.36Å; I1250-E1254 WeakPolarHBondContact O-CB 3.4Å; I1250-E1254 WeakPolarHBondContact O-CG 3.34Å; I1250-E1254 PolarHBondContact O-N 3.09Å |
| 1251 | Q | 61.5 | Low | 52 | Low | 107.8 Ų | 107.8 | 132.9 Ų | 132.9 | 50% | 0.504 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -63.6 | -34.3 | 175 | -128.2 | 176.6 | 6.3 | 0 | 0 | 113.1 | W1247 Q1248 K1249 F1253 E1254 N1255 | W1247-Q1251 HydrophobicContact CD2-CG 4.4Å; W1247-Q1251 HydrophobicContact CZ2-CG 4.45Å; W1247-Q1251 VanDerWaalsContact O-CB 3.27Å; W1247-Q1251 WeakPolarHBondContact O-CB 3.42Å; W1247-Q1251 VanDerWaalsContact O-CG 3.29Å; W1247-Q1251 WeakPolarHBondContact O-CG 3.5Å; W1247-Q1251 PolarHBondContact O-N 3.13Å; Q1248-Q1251 CarbonylContact O-C 3.54Å; Q1248-Q1251 PolarHBondContact O-N 2.99Å; K1249-Q1251 VanDerWaalsContact C-N 3.34Å; Q1251-F1253 VanDerWaalsContact C-N 3.33Å; Q1251-F1253 PolarHBondContact O-N 2.72Å; Q1251-E1254 PolarHBondContact O-N 2.79Å; Q1251-N1255 WeakPolarHBondContact O-CA 3.45Å; Q1251-N1255 WeakPolarHBondContact O-CB 3.36Å; Q1251-N1255 PolarHBondContact O-N 3.07Å; Q1251-N1255 VanDerWaalsContact O-N 3.16Å; Q1251-N1255 PolarHBondContact O-ND2 3.17Å |
| 1252 | D | 66.2 | Low | 51.8 | Low | 108.8 Ų | 108.8 | 137.4 Ų | 137.4 | 58% | 0.582 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -70.2 | -28 | 173.4 | -73 | -25 | 0 | 0 | 0 | 112.8 | Q1248 K1249 I1250 | Q1248-D1252 WeakPolarHBondContact O-CB 3.44Å; Q1248-D1252 VanDerWaalsContact O-CG 3.28Å; Q1248-D1252 PolarHBondContact O-N 2.87Å; Q1248-D1252 VanDerWaalsContact O-N 3.07Å; K1249-D1252 PolarHBondContact O-N 2.98Å; I1250-D1252 VanDerWaalsContact C-N 3.33Å; I1250-D1252 PolarHBondContact O-N 3.02Å |
| 1253 | F | 56 | Low | 51.6 | Low | 156.4 Ų | 156.4 | 137.2 Ų | 137.2 | 69% | 0.686 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -81.6 | -37.3 | 174.3 | -98 | -88.5 | 0 | 0 | 0 | 112.9 | K1249 I1250 Q1251 N1255 R1256 | K1249-F1253 WeakPolarHBondContact O-CD2 3.3Å; K1249-F1253 PolarHBondContact O-N 3.06Å; I1250-F1253 CarbonylContact O-C 3.55Å; I1250-F1253 WeakPolarHBondContact O-CA 3.01Å; I1250-F1253 PolarHBondContact O-N 2.89Å; I1250-F1253 VanDerWaalsContact O-N 3.1Å; Q1251-F1253 VanDerWaalsContact C-N 3.33Å; Q1251-F1253 PolarHBondContact O-N 2.72Å; F1253-N1255 VanDerWaalsContact C-N 3.25Å; F1253-N1255 PolarHBondContact O-N 3Å; F1253-R1256 WeakPolarHBondContact O-CB 3.45Å; F1253-R1256 PolarHBondContact O-N 3.33Å; F1253-R1256 VanDerWaalsContact O-N 3.11Å |
| 1254 | E | 57.4 | Low | 51.4 | Low | 138.8 Ų | 138.8 | 132.4 Ų | 132.4 | 65% | 0.649 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -70.4 | -26.4 | 177.1 | -73.4 | 177.4 | 164.3 | 0 | 0 | 112.9 | W1247 I1250 Q1251 R1256 | W1247-E1254 WeakPolarHBondContact CH2-OE2 3.45Å; I1250-E1254 HydrophobicContact CG2-CG 4.22Å; I1250-E1254 WeakPolarHBondContact CG2-OE1 3.36Å; I1250-E1254 WeakPolarHBondContact O-CB 3.4Å; I1250-E1254 WeakPolarHBondContact O-CG 3.34Å; I1250-E1254 PolarHBondContact O-N 3.09Å; Q1251-E1254 PolarHBondContact O-N 2.79Å; E1254-R1256 VanDerWaalsContact C-N 3.34Å; E1254-R1256 PolarHBondContact O-N 2.91Å |
| 1255 | N | 55.8 | Low | 51.3 | Low | 122.8 Ų | 122.8 | 132 Ų | 132 | 66% | 0.657 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 7.7 | 177.8 | -72.2 | -68.5 | 0 | 0 | 0 | 114.1 | Q1251 F1253 P1257 | Q1251-N1255 WeakPolarHBondContact O-CA 3.45Å; Q1251-N1255 WeakPolarHBondContact O-CB 3.36Å; Q1251-N1255 PolarHBondContact O-N 3.07Å; Q1251-N1255 VanDerWaalsContact O-N 3.16Å; Q1251-N1255 PolarHBondContact O-ND2 3.17Å; F1253-N1255 VanDerWaalsContact C-N 3.25Å; F1253-N1255 PolarHBondContact O-N 3Å; N1255-P1257 VanDerWaalsContact O-CD 3.24Å; N1255-P1257 WeakPolarHBondContact O-CD 3.16Å |
| 1256 | R | 49.1 | Very low | 51.2 | Low | 188.4 Ų | 188.4 | 129.7 Ų | 129.7 | 71% | 0.711 | 68% | 0.683 | S | S | * | * | trans | -85.5 | 118.6 | 177.6 | -125.3 | 178.9 | -174.7 | -169.7 | 0.6 | 111 | F1253 E1254 A1258 | F1253-R1256 WeakPolarHBondContact O-CB 3.45Å; F1253-R1256 PolarHBondContact O-N 3.33Å; F1253-R1256 VanDerWaalsContact O-N 3.11Å; E1254-R1256 VanDerWaalsContact C-N 3.34Å; E1254-R1256 PolarHBondContact O-N 2.91Å; R1256-A1258 PolarHBondContact O-N 2.83Å | ||
| 1257 | P | 45.1 | Very low | 51.8 | Low | 113.2 Ų | 113.2 | 133.3 Ų | 133.3 | 74% | 0.735 | 70% | 0.703 | S | S | * | * | trans | -65.3 | 134.2 | 175.1 | -11.2 | 21.9 | 0 | 0 | 0 | 110.7 | N1255 E1259 | N1255-P1257 VanDerWaalsContact O-CD 3.24Å; N1255-P1257 WeakPolarHBondContact O-CD 3.16Å; P1257-E1259 HydrophobicContact CB-CG 3.99Å; P1257-E1259 PolarHBondContact O-N 2.85Å; P1257-E1259 VanDerWaalsContact O-N 3.1Å | ||
| 1258 | A | 41.2 | Very low | 52.6 | Low | 106 Ų | 106 | 128.1 Ų | 128.1 | 88% | 0.876 | 69% | 0.685 | S | S | * | * | trans | -78.6 | 91.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1256 M1260 | R1256-A1258 PolarHBondContact O-N 2.83Å; A1258-M1260 PolarHBondContact O-N 2.81Å | ||
| 1259 | E | 45 | Very low | 53.4 | Low | 187.4 Ų | 187.4 | 125.6 Ų | 125.6 | 88% | 0.876 | 68% | 0.681 | S | S | * | * | trans | -98.8 | 104.7 | 163.7 | -78.2 | -173.7 | 146.3 | 0 | 0 | 109.6 | P1257 | P1257-E1259 HydrophobicContact CB-CG 3.99Å; P1257-E1259 PolarHBondContact O-N 2.85Å; P1257-E1259 VanDerWaalsContact O-N 3.1Å | ||
| 1260 | M | 41.8 | Very low | 54.6 | Low | 168.6 Ų | 168.6 | 119.9 Ų | 119.9 | 83% | 0.831 | 67% | 0.665 | S | S | * | * | trans | -140.6 | 121.3 | 167.1 | -106.9 | 171.5 | 62.5 | 0 | 0 | 111.1 | A1258 E1262 | A1258-M1260 PolarHBondContact O-N 2.81Å; M1260-E1262 HydrophobicContact CE-CG 4.02Å; M1260-E1262 PolarHBondContact O-N 3.18Å | ||
| 1261 | L | 44.4 | Very low | 56 | Low | 172.6 Ų | 172.6 | 117 Ų | 117 | 90% | 0.904 | 65% | 0.651 | S | S | * | * | trans | -91.1 | 121.7 | 163.1 | -74.3 | 126.8 | 0 | 0 | 0 | 112.4 | A1263 | L1261-A1263 PolarHBondContact O-N 3.22Š| ||
| 1262 | E | 37.1 | Very low | 57.3 | Low | 186.4 Ų | 186.4 | 118 Ų | 118 | 87% | 0.871 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 121.7 | -177.9 | -61.6 | 176.1 | 141.9 | 0 | 0 | 112 | M1260 A1264 | M1260-E1262 HydrophobicContact CE-CG 4.02Å; M1260-E1262 PolarHBondContact O-N 3.18Å; E1262-A1264 PolarHBondContact O-N 2.58Å |
| 1263 | A | 39 | Very low | 58.4 | Low | 94.2 Ų | 94.2 | 114.4 Ų | 114.4 | 78% | 0.779 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 131.8 | 148.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | L1261 | L1261-A1263 PolarHBondContact O-N 3.22Š|
| 1264 | A | 40.9 | Very low | 59.9 | Low | 88.4 Ų | 88.4 | 110.7 Ų | 110.7 | 73% | 0.731 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 133.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | E1262 V1266 | E1262-A1264 PolarHBondContact O-N 2.58Å; A1264-V1266 PolarHBondContact O-N 3.14Å; A1264-V1266 VanDerWaalsContact O-N 3.13Å |
| 1265 | P | 48.9 | Very low | 61.3 | Low | 110 Ų | 110 | 107.7 Ų | 107.7 | 71% | 0.714 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 130.8 | -179.9 | 25 | -33.3 | 0 | 0 | 0 | 110.1 | V1267 | P1265-V1267 PolarHBondContact O-N 3.28Å; P1265-V1267 VanDerWaalsContact O-N 3.13Å |
| 1266 | V | 55.6 | Low | 62.9 | Low | 112.4 Ų | 112.4 | 105.7 Ų | 105.7 | 68% | 0.681 | 60% | 0.601 | S | S | * | * | trans | -66.8 | 105.7 | 173.3 | 179 | 0 | 0 | 0 | 0 | 107.7 | A1264 F1268 | A1264-V1266 PolarHBondContact O-N 3.14Å; A1264-V1266 VanDerWaalsContact O-N 3.13Å; V1266-F1268 VanDerWaalsContact C-N 3.28Å; V1266-F1268 HydrophobicContact CB-CE2 4.29Å; V1266-F1268 HydrophobicContact CG1-CD1 4.47Å; V1266-F1268 HydrophobicContact CG1-CD2 4.4Å; V1266-F1268 HydrophobicContact CG1-CE1 4.37Å; V1266-F1268 HydrophobicContact CG1-CE2 4.24Å; V1266-F1268 HydrophobicContact CG1-CZ 4.26Å; V1266-F1268 WeakPolarHBondContact O-CD2 3.15Å; V1266-F1268 PolarHBondContact O-N 3.17Å; V1266-F1268 VanDerWaalsContact O-N 3.15Å | ||
| 1267 | V | 64.4 | Low | 64.7 | Low | 117.6 Ų | 117.6 | 97 Ų | 97 | 71% | 0.713 | 57% | 0.568 | S | S | * | * | trans | -78.9 | 96 | 176.8 | -177 | 0 | 0 | 0 | 0 | 108.1 | P1265 | P1265-V1267 PolarHBondContact O-N 3.28Å; P1265-V1267 VanDerWaalsContact O-N 3.13Å | ||
| 1268 | F | 71.6 | Confident | 66.5 | Low | 51.4 Ų | 51.4 | 97.7 Ų | 97.7 | 23% | 0.225 | 56% | 0.556 | C | S | . | * | P | Polyproline II helix | trans | -60.5 | 135.3 | 169.3 | -71 | -77 | 0 | 0 | 0 | 109.8 | V1266 P1297 L1298 D1300 S1352 | V1266-F1268 VanDerWaalsContact C-N 3.28Å; V1266-F1268 HydrophobicContact CB-CE2 4.29Å; V1266-F1268 HydrophobicContact CG1-CD1 4.47Å; V1266-F1268 HydrophobicContact CG1-CD2 4.4Å; V1266-F1268 HydrophobicContact CG1-CE1 4.37Å; V1266-F1268 HydrophobicContact CG1-CE2 4.24Å; V1266-F1268 HydrophobicContact CG1-CZ 4.26Å; V1266-F1268 WeakPolarHBondContact O-CD2 3.15Å; V1266-F1268 PolarHBondContact O-N 3.17Å; V1266-F1268 VanDerWaalsContact O-N 3.15Å; F1268-P1297 HydrophobicContact CB-CG 3.95Å; F1268-P1297 HydrophobicContact CD1-CB 3.95Å; F1268-P1297 HydrophobicContact CD1-CG 3.87Å; F1268-P1297 HydrophobicContact CG-CG 4.33Å; F1268-L1298 WeakPolarHBondContact CE1-O 3.23Å; F1268-D1300 HydrophobicContact CB-CB 4.34Å; F1268-D1300 WeakPolarHBondContact CB-OD2 3.29Å; F1268-D1300 HydrophobicContact CD1-CB 3.93Å; F1268-D1300 HydrophobicContact CD2-CB 4.17Å; F1268-D1300 HydrophobicContact CE1-CB 4.21Å; F1268-D1300 HydrophobicContact CE2-CB 4.32Å; F1268-D1300 HydrophobicContact CG-CB 3.9Å; F1268-D1300 HydrophobicContact CZ-CB 4.33Å; F1268-S1352 WeakPolarHBondContact O-CB 3.24Å; F1268-S1352 PolarHBondContact O-OG 3Å |
| 1269 | P | 79.9 | Confident | 68.2 | Low | 84.8 Ų | 84.8 | 100.3 Ų | 100.3 | 55% | 0.551 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 160.2 | 170.5 | 27.7 | -34.6 | 0 | 0 | 0 | 110.6 | P1297 N1350 | P1269-P1297 HydrophobicContact CG-CB 4.18Å; P1269-P1297 HydrophobicContact CG-CG 4.07Å; P1269-P1297 WeakPolarHBondContact O-CD 3.43Å; P1269-N1350 PolarHBondContact O-ND2 3.13Å |
| 1270 | G | 85.4 | Confident | 69.7 | Low | 31 Ų | 31 | 95 Ų | 95 | 32% | 0.32 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 150.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1271 | P | 89.5 | Confident | 71.3 | Confident | 11 Ų | 11 | 88.9 Ų | 88.9 | 7% | 0.071 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 153.8 | -172.2 | 30.7 | -31.8 | 0 | 0 | 0 | 109.9 | V1295 E1296 V1348 N1350 G1353 A1355 | P1271-V1295 HydrophobicContact CB-CG2 4.07Å; P1271-E1296 CarbonylContact C-O 3.52Å; P1271-E1296 VanDerWaalsContact CA-O 3.23Å; P1271-E1296 WeakPolarHBondContact CA-O 3.16Å; P1271-V1348 HydrophobicContact CB-CB 4.33Å; P1271-V1348 HydrophobicContact CB-CG1 3.9Å; P1271-V1348 HydrophobicContact CG-CB 4.43Å; P1271-V1348 HydrophobicContact CG-CG1 4.3Å; P1271-V1348 VanDerWaalsContact CG-O 3.26Å; P1271-V1348 WeakPolarHBondContact CG-O 3.36Å; P1271-N1350 VanDerWaalsContact CD-OD1 3.3Å; P1271-N1350 WeakPolarHBondContact CD-OD1 3.23Å; P1271-G1353 VanDerWaalsContact CD-C 3.44Å; P1271-G1353 VanDerWaalsContact CD-O 3.28Å; P1271-G1353 WeakPolarHBondContact CD-O 3.32Å; P1271-A1355 HydrophobicContact CB-CB 4.28Å; P1271-A1355 HydrophobicContact CG-CB 3.99Å; P1271-A1355 VanDerWaalsContact O-CB 3.28Å; P1271-A1355 WeakPolarHBondContact O-CB 3.37Å |
| 1272 | K | 88.9 | Confident | 73.1 | Confident | 128.8 Ų | 128.8 | 86.4 Ų | 86.4 | 56% | 0.56 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 125.1 | -177.2 | -178.8 | -166.6 | 164 | -151.2 | 0 | 109.6 | V1274 V1295 E1296 | K1272-V1274 PolarHBondContact O-N 3.21Å; K1272-V1274 VanDerWaalsContact O-N 3.17Å; K1272-V1295 WeakPolarHBondContact O-CA 3.24Å; K1272-V1295 WeakPolarHBondContact O-CG2 3.28Å; K1272-E1296 PolarHBondContact N-O 2.82Å; K1272-E1296 IonicContact NZ-OE2 2.71Å; K1272-E1296 PolarHBondContact NZ-OE2 3.32Å; K1272-E1296 PolarHBondContact O-N 2.97Å |
| 1273 | F | 90.3 | Very high | 75.1 | Confident | 31.4 Ų | 31.4 | 78.2 Ų | 78.2 | 14% | 0.138 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 115.9 | 168.6 | -70.1 | -81.9 | 0 | 0 | 0 | 109.9 | T1276 F1277 A1293 L1294 V1295 I1329 C1346 V1348 A1355 A1357 | F1273-T1276 HydrophobicContact CB-CG2 3.84Å; F1273-T1276 HydrophobicContact CG-CG2 4.34Å; F1273-F1277 HydrophobicContact CE1-CE2 4.4Å; F1273-A1293 HydrophobicContact CD1-CB 3.91Å; F1273-A1293 HydrophobicContact CE1-CB 3.94Å; F1273-L1294 CarbonylContact C-O 3.51Å; F1273-L1294 VanDerWaalsContact CA-O 3.29Å; F1273-L1294 WeakPolarHBondContact CA-O 3.32Å; F1273-V1295 HydrophobicContact CD1-CB 4.47Å; F1273-I1329 HydrophobicContact CE1-CD1 4.14Å; F1273-C1346 HydrophobicContact CZ-CB 4.49Å; F1273-V1348 HydrophobicContact CE1-CG2 4.23Å; F1273-V1348 HydrophobicContact CE2-CG2 4.19Å; F1273-V1348 HydrophobicContact CZ-CB 4.47Å; F1273-V1348 HydrophobicContact CZ-CG2 3.59Å; F1273-A1355 HydrophobicContact CD2-CB 3.97Å; F1273-A1355 HydrophobicContact CE2-CB 3.96Å; F1273-A1357 HydrophobicContact CD1-CB 4.04Å; F1273-A1357 HydrophobicContact CD2-CB 3.8Å; F1273-A1357 HydrophobicContact CE1-CB 3.73Å; F1273-A1357 HydrophobicContact CE2-CB 3.49Å; F1273-A1357 VanDerWaalsContact CE2-CB 3.48Å; F1273-A1357 VanDerWaalsContact CE2-N 3.3Å; F1273-A1357 HydrophobicContact CG-CB 4.06Å; F1273-A1357 HydrophobicContact CZ-CB 3.43Å; F1273-A1357 VanDerWaalsContact CZ-CB 3.42Å |
| 1274 | V | 87.1 | Confident | 77 | Confident | 78.8 Ų | 78.8 | 76.8 Ų | 76.8 | 48% | 0.478 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | -40.4 | 169.7 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | K1272 L1294 E1296 | K1272-V1274 PolarHBondContact O-N 3.21Å; K1272-V1274 VanDerWaalsContact O-N 3.17Å; V1274-L1294 HydrophobicContact CB-CB 4.16Å; V1274-L1294 HydrophobicContact CB-CD1 4.39Å; V1274-L1294 HydrophobicContact CG1-CD1 4.41Å; V1274-L1294 HydrophobicContact CG2-CB 4.45Å; V1274-L1294 PolarHBondContact N-O 3.01Å; V1274-E1296 HydrophobicContact CG2-CB 3.9Å; V1274-E1296 HydrophobicContact CG2-CG 3.46Å; V1274-E1296 VanDerWaalsContact CG2-CG 3.46Å; V1274-E1296 WeakPolarHBondContact CG2-OE2 3.3Å |
| 1275 | Q | 86 | Confident | 79 | Confident | 76.4 Ų | 76.4 | 75.4 Ų | 75.4 | 36% | 0.357 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 134.3 | 171.4 | -179.2 | 173.5 | -32.5 | 0 | 0 | 107.8 | E416 A1293 L1294 | E416-Q1275 PolarHBondContact OE2-NE2 3.41Å; Q1275-A1293 CarbonylContact O-C 3.52Å; Q1275-A1293 VanDerWaalsContact O-CA 3.31Å; Q1275-A1293 WeakPolarHBondContact O-CA 3.23Å; Q1275-A1293 VanDerWaalsContact O-CB 3.29Å; Q1275-A1293 WeakPolarHBondContact O-CB 3.38Å; Q1275-L1294 HydrophobicContact CB-CB 3.94Å; Q1275-L1294 HydrophobicContact CB-CD1 4.12Å; Q1275-L1294 HydrophobicContact CB-CG 4.22Å; Q1275-L1294 PolarHBondContact N-O 2.97Å; Q1275-L1294 PolarHBondContact O-N 2.93Å |
| 1276 | T | 89 | Confident | 80.3 | Confident | 80.2 Ų | 80.2 | 72.1 Ų | 72.1 | 49% | 0.492 | 40% | 0.4 | S | S | . | . | trans | -110 | 160.7 | 178.4 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | F1273 R1278 A1357 | F1273-T1276 HydrophobicContact CB-CG2 3.84Å; F1273-T1276 HydrophobicContact CG-CG2 4.34Å; T1276-R1278 PolarHBondContact O-N 2.94Å; T1276-A1357 HydrophobicContact CG2-CB 4.35Å; T1276-A1357 VanDerWaalsContact OG1-CB 3.25Å; T1276-A1357 WeakPolarHBondContact OG1-CB 3.34Å | ||
| 1277 | F | 88.3 | Confident | 81.5 | Confident | 7 Ų | 7 | 71.5 Ų | 71.5 | 3% | 0.031 | 39% | 0.389 | C | S | . | . | trans | -56.9 | 151.7 | 170.4 | -46.4 | -72.1 | 0 | 0 | 0 | 111.2 | F1273 E1279 L1291 E1292 A1293 W1307 I1329 C1346 A1357 F1359 | F1273-F1277 HydrophobicContact CE1-CE2 4.4Å; F1277-E1279 PolarHBondContact O-N 2.77Å; F1277-L1291 HydrophobicContact CD1-CB 3.99Å; F1277-E1292 WeakPolarHBondContact CA-O 3.19Å; F1277-E1292 VanDerWaalsContact CD1-O 3.22Å; F1277-E1292 WeakPolarHBondContact CD1-O 3.4Å; F1277-E1292 PolarHBondContact N-O 2.66Å; F1277-A1293 HydrophobicContact CD1-CB 3.89Å; F1277-A1293 HydrophobicContact CD2-CB 4.26Å; F1277-A1293 HydrophobicContact CE1-CB 3.49Å; F1277-A1293 VanDerWaalsContact CE1-CB 3.44Å; F1277-A1293 HydrophobicContact CE2-CB 3.86Å; F1277-A1293 HydrophobicContact CG-CB 4.21Å; F1277-A1293 HydrophobicContact CZ-CB 3.46Å; F1277-A1293 VanDerWaalsContact CZ-CB 3.44Å; F1277-W1307 HydrophobicContact CD1-CH2 4.32Å; F1277-W1307 HydrophobicContact CD2-CH2 4.39Å; F1277-W1307 AromaticContact CE1-CH2 3.79Å; F1277-W1307 HydrophobicContact CE1-CH2 3.84Å; F1277-W1307 AromaticContact CE1-CZ2 3.91Å; F1277-W1307 HydrophobicContact CE1-CZ2 4.2Å; F1277-W1307 AromaticContact CE2-CH2 3.71Å; F1277-W1307 HydrophobicContact CE2-CH2 3.77Å; F1277-W1307 HydrophobicContact CE2-CZ2 4.26Å; F1277-W1307 HydrophobicContact CE2-CZ3 4.48Å; F1277-W1307 AromaticContact CZ-CH2 3.36Å; F1277-W1307 HydrophobicContact CZ-CH2 3.36Å; F1277-W1307 VanDerWaalsContact CZ-CH2 3.41Å; F1277-W1307 AromaticContact CZ-CZ2 3.65Å; F1277-W1307 HydrophobicContact CZ-CZ2 3.65Å; F1277-W1307 VanDerWaalsContact CZ-CZ2 3.47Å; F1277-W1307 HydrophobicContact CZ-CZ3 4.4Å; F1277-I1329 HydrophobicContact CE1-CG2 4.26Å; F1277-I1329 HydrophobicContact CZ-CB 4.46Å; F1277-I1329 HydrophobicContact CZ-CG2 4.03Å; F1277-C1346 HydrophobicContact CE2-CB 3.65Å; F1277-C1346 HydrophobicContact CZ-CB 4.12Å; F1277-A1357 HydrophobicContact CD2-CB 3.82Å; F1277-A1357 HydrophobicContact CE2-CB 3.86Å; F1277-F1359 HydrophobicContact CB-CB 4.23Å; F1277-F1359 HydrophobicContact CB-CD1 3.66Å; F1277-F1359 HydrophobicContact CB-CE1 4.35Å; F1277-F1359 HydrophobicContact CB-CG 4.27Å; F1277-F1359 HydrophobicContact CD1-CD1 4.4Å; F1277-F1359 HydrophobicContact CD1-CE1 4.35Å; F1277-F1359 AromaticContact CD2-CD1 3.86Å; F1277-F1359 HydrophobicContact CD2-CD1 3.9Å; F1277-F1359 HydrophobicContact CD2-CE1 4.31Å; F1277-F1359 HydrophobicContact CE2-CD1 4.37Å; F1277-F1359 HydrophobicContact CE2-CE1 4.48Å; F1277-F1359 AromaticContact CG-CD1 3.74Å; F1277-F1359 HydrophobicContact CG-CD1 3.74Å; F1277-F1359 AromaticContact CG-CE1 3.98Å; F1277-F1359 HydrophobicContact CG-CE1 4.12Å | ||
| 1278 | R | 81.5 | Confident | 82.6 | Confident | 127.4 Ų | 127.4 | 69.4 Ų | 69.4 | 48% | 0.481 | 38% | 0.378 | S | S | . | . | trans | -69.2 | 132.6 | 172.9 | -63.2 | -179.4 | -177.7 | -176 | 0.6 | 109.5 | E416 T1276 T1280 L1291 F1359 P1433 N1434 | E416-R1278 IonicContact OE1-CZ 2.99Å; E416-R1278 IonicContact OE1-NE 2.98Å; E416-R1278 PolarHBondContact OE1-NE 2.99Å; E416-R1278 IonicContact OE1-NH2 2.74Å; E416-R1278 PolarHBondContact OE1-NH2 3.19Å; T1276-R1278 PolarHBondContact O-N 2.94Å; R1278-T1280 PolarHBondContact O-N 3Å; R1278-T1280 VanDerWaalsContact O-N 3.1Å; R1278-L1291 WeakPolarHBondContact O-CD2 3.17Å; R1278-F1359 WeakPolarHBondContact O-CB 3.28Å; R1278-P1433 PolarHBondContact NH1-O 2.87Å; R1278-P1433 PolarHBondContact NH2-O 3.02Å; R1278-N1434 PolarHBondContact NH1-OD1 3.19Å; R1278-N1434 PolarHBondContact NH2-OD1 3.31Å | ||
| 1279 | E | 78.2 | Confident | 83.4 | Confident | 161 Ų | 161 | 67.3 Ų | 67.3 | 75% | 0.752 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -56.2 | -26.5 | -176.2 | -65.6 | -173.6 | 161.3 | 0 | 0 | 113.1 | F1277 T1281 F1359 S1360 | F1277-E1279 PolarHBondContact O-N 2.77Å; E1279-T1281 PolarHBondContact O-N 3.48Å; E1279-T1281 VanDerWaalsContact O-N 3.09Å; E1279-F1359 CarbonylContact O-C 3.52Å; E1279-F1359 VanDerWaalsContact O-CA 3.31Å; E1279-F1359 WeakPolarHBondContact O-CA 3.34Å; E1279-S1360 PolarHBondContact O-N 2.87Å |
| 1280 | T | 76.5 | Confident | 83.9 | Confident | 74.8 Ų | 74.8 | 67.4 Ų | 67.4 | 46% | 0.459 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127.6 | 174.1 | 41.2 | 0 | 0 | 0 | 0 | 110.4 | R1278 V1289 L1291 S1360 | R1278-T1280 PolarHBondContact O-N 3Å; R1278-T1280 VanDerWaalsContact O-N 3.1Å; T1280-V1289 HydrophobicContact CG2-CG1 4.28Å; T1280-L1291 HydrophobicContact CG2-CD2 3.75Å; T1280-L1291 HydrophobicContact CG2-CG 4.4Å; T1280-S1360 CarbonylContact C-O 3.45Å; T1280-S1360 VanDerWaalsContact CA-O 3.31Å; T1280-S1360 WeakPolarHBondContact CA-O 3.33Å |
| 1281 | T | 75.4 | Confident | 84.1 | Confident | 41.2 Ų | 41.2 | 66.4 Ų | 66.4 | 25% | 0.253 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 120.4 | 170.7 | -46.6 | 0 | 0 | 0 | 0 | 108.7 | E1279 V1289 L1291 S1360 L1361 N1362 | E1279-T1281 PolarHBondContact O-N 3.48Å; E1279-T1281 VanDerWaalsContact O-N 3.09Å; T1281-V1289 HydrophobicContact CG2-CG1 4.04Å; T1281-L1291 HydrophobicContact CG2-CD1 4.46Å; T1281-L1291 HydrophobicContact CG2-CD2 4.4Å; T1281-L1291 WeakPolarHBondContact OG1-CD2 3.37Å; T1281-S1360 PolarHBondContact N-O 3.13Å; T1281-L1361 HydrophobicContact CG2-CD1 4.13Å; T1281-L1361 CarbonylContact O-C 3.58Å; T1281-L1361 WeakPolarHBondContact O-CA 3.32Å; T1281-L1361 WeakPolarHBondContact O-CD1 3.4Å; T1281-N1362 PolarHBondContact O-N 2.99Å |
| 1282 | D | 80.9 | Confident | 84.2 | Confident | 120.6 Ų | 120.6 | 68.8 Ų | 68.8 | 65% | 0.645 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 117.5 | 173.6 | -57.5 | -45.2 | 0 | 0 | 0 | 111.1 | N1362 | D1282-N1362 CarbonylContact C-O 3.57Å; D1282-N1362 WeakPolarHBondContact CA-O 3.14Å; D1282-N1362 VanDerWaalsContact OD1-CB 3.26Å; D1282-N1362 WeakPolarHBondContact OD1-CB 3.31Å; D1282-N1362 PolarHBondContact OD1-ND2 2.85Å |
| 1283 | S | 79.7 | Confident | 84.3 | Confident | 13.6 Ų | 13.6 | 62.7 Ų | 62.7 | 10% | 0.095 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 157.7 | 174 | -155.7 | 0 | 0 | 0 | 0 | 110.5 | Q1287 C1336 N1362 C1363 A1364 | S1283-Q1287 WeakPolarHBondContact OG-CB 3.27Å; S1283-Q1287 PolarHBondContact OG-O 3.11Å; S1283-C1336 WeakPolarHBondContact OG-CB 3.17Å; S1283-N1362 PolarHBondContact N-O 3.14Å; S1283-N1362 VanDerWaalsContact O-O 3.11Å; S1283-C1363 CarbonylContact O-C 3.52Å; S1283-C1363 WeakPolarHBondContact O-CA 3.31Å; S1283-A1364 PolarHBondContact O-N 3.05Å |
| 1284 | V | 80.1 | Confident | 84.3 | Confident | 65.6 Ų | 65.6 | 64 Ų | 64 | 40% | 0.398 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 143 | 175.3 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | G1286 Q1287 A1364 R1366 | V1284-G1286 PolarHBondContact O-N 2.95Å; V1284-G1286 VanDerWaalsContact O-N 3.15Å; V1284-Q1287 HydrophobicContact CB-CG 4.27Å; V1284-Q1287 VanDerWaalsContact O-CB 3.31Å; V1284-Q1287 WeakPolarHBondContact O-CB 3.3Å; V1284-Q1287 PolarHBondContact O-N 2.99Å; V1284-A1364 HydrophobicContact CG2-CB 4.41Å; V1284-R1366 HydrophobicContact CG1-CG 4.16Å |
| 1285 | E | 82 | Confident | 84.5 | Confident | 59.4 Ų | 59.4 | 60.3 Ų | 60.3 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47 | 121.9 | 177.1 | 178.6 | 176 | -163.5 | 0 | 0 | 111.9 | C1336 L1337 P1338 A1364 A1365 R1366 | E1285-C1336 CarbonylContact C-O 3.55Å; E1285-C1336 WeakPolarHBondContact CA-O 3.37Å; E1285-L1337 HydrophobicContact CG-CD2 4.24Å; E1285-P1338 HydrophobicContact CG-CG 4.38Å; E1285-A1364 PolarHBondContact N-O 3.17Å; E1285-A1364 VanDerWaalsContact N-O 3.1Å; E1285-A1365 VanDerWaalsContact OE2-CA 3.23Å; E1285-A1365 WeakPolarHBondContact OE2-CA 3.34Å; E1285-R1366 HydrophobicContact CB-CG 4.21Å; E1285-R1366 PolarHBondContact O-NE 3.03Å; E1285-R1366 VanDerWaalsContact O-NE 3.14Å; E1285-R1366 PolarHBondContact O-NH2 2.91Å; E1285-R1366 PolarHBondContact OE2-N 3.1Å |
| 1286 | G | 76.5 | Confident | 84.5 | Confident | 40.6 Ų | 40.6 | 61.1 Ų | 61.1 | 42% | 0.419 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | -4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | V1284 C1336 | V1284-G1286 PolarHBondContact O-N 2.95Å; V1284-G1286 VanDerWaalsContact O-N 3.15Å; G1286-C1336 PolarHBondContact N-O 3.08Å |
| 1287 | Q | 80.4 | Confident | 84.2 | Confident | 98.6 Ų | 98.6 | 58.1 Ų | 58.1 | 46% | 0.461 | 31% | 0.305 | S | S | . | . | trans | -86.6 | 142.4 | 175.9 | -73.5 | -73.1 | -59.7 | 0 | 0 | 112.1 | S1283 V1284 C1336 | S1283-Q1287 WeakPolarHBondContact OG-CB 3.27Å; S1283-Q1287 PolarHBondContact OG-O 3.11Å; V1284-Q1287 HydrophobicContact CB-CG 4.27Å; V1284-Q1287 VanDerWaalsContact O-CB 3.31Å; V1284-Q1287 WeakPolarHBondContact O-CB 3.3Å; V1284-Q1287 PolarHBondContact O-N 2.99Å; Q1287-C1336 VanDerWaalsContact O-CB 3.27Å; Q1287-C1336 WeakPolarHBondContact O-CB 3.3Å; Q1287-C1336 PolarHBondContact O-N 2.99Å | ||
| 1288 | P | 87.4 | Confident | 83.7 | Confident | 72.8 Ų | 72.8 | 61.3 Ų | 61.3 | 47% | 0.473 | 32% | 0.322 | S | S | . | . | trans | -70.3 | 156.7 | 171.2 | 22.2 | -22.9 | 0 | 0 | 0 | 111.7 | F448 I1333 A1334 | F448-P1288 HydrophobicContact CD1-CB 4.08Å; F448-P1288 HydrophobicContact CE1-CB 3.5Å; F448-P1288 VanDerWaalsContact CE1-CB 3.5Å; F448-P1288 HydrophobicContact CE1-CG 3.53Å; F448-P1288 HydrophobicContact CE2-CB 4.01Å; F448-P1288 HydrophobicContact CE2-CG 4.37Å; F448-P1288 HydrophobicContact CZ-CB 3.49Å; F448-P1288 VanDerWaalsContact CZ-CB 3.49Å; F448-P1288 HydrophobicContact CZ-CG 3.46Å; F448-P1288 VanDerWaalsContact CZ-CG 3.46Å; P1288-I1333 CarbonylContact C-O 3.53Å; P1288-I1333 VanDerWaalsContact CA-O 3.26Å; P1288-I1333 WeakPolarHBondContact CA-O 3.28Å; P1288-I1333 WeakPolarHBondContact CB-O 3.33Å; P1288-A1334 WeakPolarHBondContact CB-O 3.48Å; P1288-A1334 WeakPolarHBondContact CG-O 3.39Å | ||
| 1289 | V | 88.6 | Confident | 83.2 | Confident | 8.8 Ų | 8.8 | 60.6 Ų | 60.6 | 5% | 0.053 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 130.7 | 176.1 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | T1280 T1281 L1291 D1332 I1333 C1336 L1361 | T1280-V1289 HydrophobicContact CG2-CG1 4.28Å; T1281-V1289 HydrophobicContact CG2-CG1 4.04Å; V1289-L1291 HydrophobicContact CG1-CD1 4.29Å; V1289-L1291 HydrophobicContact CG1-CG 4.23Å; V1289-D1332 CarbonylContact O-C 3.54Å; V1289-D1332 WeakPolarHBondContact O-CA 3.28Å; V1289-I1333 HydrophobicContact CB-CB 4.11Å; V1289-I1333 HydrophobicContact CB-CD1 4.48Å; V1289-I1333 HydrophobicContact CB-CG1 4.38Å; V1289-I1333 HydrophobicContact CG2-CB 4.49Å; V1289-I1333 PolarHBondContact N-O 2.96Å; V1289-I1333 PolarHBondContact O-N 3.01Å; V1289-C1336 HydrophobicContact CG2-CB 4.04Å; V1289-L1361 HydrophobicContact CG1-CD1 4.31Å; V1289-L1361 HydrophobicContact CG2-CD1 4.09Å |
| 1290 | H | 90.3 | Very high | 83.2 | Confident | 87 Ų | 87 | 53.5 Ų | 53.5 | 40% | 0.403 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 129.1 | 175.4 | 173.6 | 90.8 | 0 | 0 | 0 | 108.8 | K420 F448 F450 E1292 F1331 D1332 | K420-H1290 PolarHBondContact NZ-O 3.23Å; F448-H1290 HydrophobicContact CB-CB 3.56Å; F448-H1290 HydrophobicContact CD2-CB 4.41Å; F448-H1290 HydrophobicContact CG-CB 4.24Å; F450-H1290 AromaticContact CD1-NE2 3.67Å; F450-H1290 HydrophobicContact CD2-CB 3.81Å; F450-H1290 AromaticContact CD2-CD2 3.43Å; F450-H1290 VanDerWaalsContact CD2-CD2 3.43Å; F450-H1290 WeakPolarHBondContact CD2-CD2 3.36Å; F450-H1290 AromaticContact CD2-CE1 3.49Å; F450-H1290 VanDerWaalsContact CD2-CE1 3.49Å; F450-H1290 WeakPolarHBondContact CD2-CE1 3.36Å; F450-H1290 AromaticContact CD2-CG 3.3Å; F450-H1290 AromaticContact CD2-ND1 3.31Å; F450-H1290 VanDerWaalsContact CD2-ND1 3.31Å; F450-H1290 WeakPolarHBondContact CD2-ND1 3.49Å; F450-H1290 AromaticContact CD2-NE2 3.53Å; F450-H1290 AromaticContact CE1-CD2 3.87Å; F450-H1290 AromaticContact CE1-NE2 3.77Å; F450-H1290 HydrophobicContact CE2-CB 3.52Å; F450-H1290 AromaticContact CE2-CD2 3.13Å; F450-H1290 WeakPolarHBondContact CE2-CD2 3.36Å; F450-H1290 AromaticContact CE2-CG 3.24Å; F450-H1290 AromaticContact CE2-ND1 3.81Å; F450-H1290 AromaticContact CE2-NE2 3.66Å; F450-H1290 VanDerWaalsContact CE2-O 3.32Å; F450-H1290 WeakPolarHBondContact CE2-O 3.28Å; F450-H1290 AromaticContact CG-CD2 3.91Å; F450-H1290 AromaticContact CG-CE1 3.49Å; F450-H1290 VanDerWaalsContact CG-CE1 3.49Å; F450-H1290 WeakPolarHBondContact CG-CE1 3.36Å; F450-H1290 AromaticContact CG-ND1 3.8Å; F450-H1290 AromaticContact CG-NE2 3.51Å; F450-H1290 HydrophobicContact CZ-CB 4.46Å; F450-H1290 AromaticContact CZ-CD2 3.32Å; F450-H1290 WeakPolarHBondContact CZ-CD2 3.17Å; F450-H1290 AromaticContact CZ-CG 3.95Å; F450-H1290 AromaticContact CZ-NE2 3.72Å; H1290-E1292 IonicContact CE1-OE1 3.33Å; H1290-E1292 VanDerWaalsContact NE2-CD 3.34Å; H1290-E1292 VanDerWaalsContact NE2-CG 3.3Å; H1290-E1292 WeakPolarHBondContact NE2-CG 3.32Å; H1290-E1292 IonicContact NE2-OE1 3.44Å; H1290-E1292 PolarHBondContact NE2-OE1 2.88Å; H1290-E1292 VanDerWaalsContact NE2-OE1 3.07Å; H1290-F1331 CarbonylContact C-O 3.56Å; H1290-F1331 WeakPolarHBondContact CA-O 3.39Å; H1290-D1332 WeakPolarHBondContact CB-OD1 3.41Å; H1290-D1332 IonicContact CD2-OD1 3.7Å; H1290-D1332 IonicContact CE1-OD1 3.65Å; H1290-D1332 IonicContact CG-OD1 2.98Å; H1290-D1332 IonicContact ND1-OD1 3.52Å; H1290-D1332 PolarHBondContact ND1-OD1 3.02Å; H1290-D1332 IonicContact ND1-OD2 3.06Å |
| 1291 | L | 89.8 | Confident | 83.1 | Confident | 10.4 Ų | 10.4 | 54.6 Ų | 54.6 | 5% | 0.054 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 140 | -177.4 | -67.9 | 173.7 | 0 | 0 | 0 | 110.6 | F1277 R1278 T1280 T1281 V1289 T1330 F1331 F1359 | F1277-L1291 HydrophobicContact CD1-CB 3.99Å; R1278-L1291 WeakPolarHBondContact O-CD2 3.17Å; T1280-L1291 HydrophobicContact CG2-CD2 3.75Å; T1280-L1291 HydrophobicContact CG2-CG 4.4Å; T1281-L1291 HydrophobicContact CG2-CD1 4.46Å; T1281-L1291 HydrophobicContact CG2-CD2 4.4Å; T1281-L1291 WeakPolarHBondContact OG1-CD2 3.37Å; V1289-L1291 HydrophobicContact CG1-CD1 4.29Å; V1289-L1291 HydrophobicContact CG1-CG 4.23Å; L1291-T1330 CarbonylContact O-C 3.53Å; L1291-T1330 WeakPolarHBondContact O-CA 3.29Å; L1291-F1331 HydrophobicContact CB-CB 4.37Å; L1291-F1331 HydrophobicContact CD1-CD1 4.34Å; L1291-F1331 PolarHBondContact N-O 3.02Å; L1291-F1331 PolarHBondContact O-N 3.02Å; L1291-F1359 HydrophobicContact CD1-CD1 4.08Å; L1291-F1359 HydrophobicContact CD1-CD2 3.67Å; L1291-F1359 HydrophobicContact CD1-CE1 3.81Å; L1291-F1359 HydrophobicContact CD1-CE2 3.4Å; L1291-F1359 VanDerWaalsContact CD1-CE2 3.44Å; L1291-F1359 HydrophobicContact CD1-CG 4.01Å; L1291-F1359 HydrophobicContact CD1-CZ 3.48Å; L1291-F1359 VanDerWaalsContact CD1-CZ 3.46Å |
| 1292 | E | 90.9 | Very high | 83.3 | Confident | 60.8 Ų | 60.8 | 54.2 Ų | 54.2 | 28% | 0.284 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 149.9 | -176.4 | -65.7 | -176 | 144.4 | 0 | 0 | 112.2 | F450 F1277 H1290 L1328 I1329 T1330 | F450-E1292 HydrophobicContact CD1-CG 4.2Å; F450-E1292 WeakPolarHBondContact CD1-OE1 3.49Å; F450-E1292 HydrophobicContact CE1-CB 3.64Å; F450-E1292 HydrophobicContact CE1-CG 3.52Å; F450-E1292 WeakPolarHBondContact CE1-OE1 3.32Å; F450-E1292 WeakPolarHBondContact CE1-OE2 3.18Å; F450-E1292 HydrophobicContact CZ-CB 4.04Å; F450-E1292 HydrophobicContact CZ-CG 4.05Å; F1277-E1292 WeakPolarHBondContact CA-O 3.19Å; F1277-E1292 VanDerWaalsContact CD1-O 3.22Å; F1277-E1292 WeakPolarHBondContact CD1-O 3.4Å; F1277-E1292 PolarHBondContact N-O 2.66Å; H1290-E1292 IonicContact CE1-OE1 3.33Å; H1290-E1292 VanDerWaalsContact NE2-CD 3.34Å; H1290-E1292 VanDerWaalsContact NE2-CG 3.3Å; H1290-E1292 WeakPolarHBondContact NE2-CG 3.32Å; H1290-E1292 IonicContact NE2-OE1 3.44Å; H1290-E1292 PolarHBondContact NE2-OE1 2.88Å; H1290-E1292 VanDerWaalsContact NE2-OE1 3.07Å; E1292-L1328 HydrophobicContact CB-CD1 4.15Å; E1292-L1328 HydrophobicContact CG-CD1 4.25Å; E1292-L1328 WeakPolarHBondContact OE1-CD1 3.45Å; E1292-L1328 WeakPolarHBondContact OE2-CD1 3.49Å; E1292-I1329 CarbonylContact C-O 3.49Å; E1292-I1329 WeakPolarHBondContact CA-O 3.23Å; E1292-T1330 HydrophobicContact CG-CG2 4.25Å |
| 1293 | A | 90.9 | Very high | 83.3 | Confident | 0.2 Ų | 0.2 | 50.2 Ų | 50.2 | 0% | 0.002 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 151.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F1273 Q1275 F1277 I1329 | F1273-A1293 HydrophobicContact CD1-CB 3.91Å; F1273-A1293 HydrophobicContact CE1-CB 3.94Å; Q1275-A1293 CarbonylContact O-C 3.52Å; Q1275-A1293 VanDerWaalsContact O-CA 3.31Å; Q1275-A1293 WeakPolarHBondContact O-CA 3.23Å; Q1275-A1293 VanDerWaalsContact O-CB 3.29Å; Q1275-A1293 WeakPolarHBondContact O-CB 3.38Å; F1277-A1293 HydrophobicContact CD1-CB 3.89Å; F1277-A1293 HydrophobicContact CD2-CB 4.26Å; F1277-A1293 HydrophobicContact CE1-CB 3.49Å; F1277-A1293 VanDerWaalsContact CE1-CB 3.44Å; F1277-A1293 HydrophobicContact CE2-CB 3.86Å; F1277-A1293 HydrophobicContact CG-CB 4.21Å; F1277-A1293 HydrophobicContact CZ-CB 3.46Å; F1277-A1293 VanDerWaalsContact CZ-CB 3.44Å; A1293-I1329 HydrophobicContact CB-CB 4.44Å; A1293-I1329 PolarHBondContact N-O 2.96Å; A1293-I1329 PolarHBondContact O-N 3.22Å; A1293-I1329 VanDerWaalsContact O-N 3.17Å |
| 1294 | L | 90.5 | Very high | 83.6 | Confident | 58 Ų | 58 | 57.4 Ų | 57.4 | 30% | 0.304 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.3 | 174.4 | -71.5 | 167.7 | 0 | 0 | 0 | 109.4 | F1273 V1274 Q1275 G1327 L1328 | F1273-L1294 CarbonylContact C-O 3.51Å; F1273-L1294 VanDerWaalsContact CA-O 3.29Å; F1273-L1294 WeakPolarHBondContact CA-O 3.32Å; V1274-L1294 HydrophobicContact CB-CB 4.16Å; V1274-L1294 HydrophobicContact CB-CD1 4.39Å; V1274-L1294 HydrophobicContact CG1-CD1 4.41Å; V1274-L1294 HydrophobicContact CG2-CB 4.45Å; V1274-L1294 PolarHBondContact N-O 3.01Å; Q1275-L1294 HydrophobicContact CB-CB 3.94Å; Q1275-L1294 HydrophobicContact CB-CD1 4.12Å; Q1275-L1294 HydrophobicContact CB-CG 4.22Å; Q1275-L1294 PolarHBondContact N-O 2.97Å; Q1275-L1294 PolarHBondContact O-N 2.93Å; L1294-G1327 CarbonylContact C-O 3.55Å; L1294-G1327 VanDerWaalsContact CA-O 3.26Å; L1294-G1327 WeakPolarHBondContact CA-O 3.35Å; L1294-L1328 HydrophobicContact CD2-CB 4.18Å; L1294-L1328 HydrophobicContact CD2-CD1 3.81Å; L1294-L1328 HydrophobicContact CG-CD1 4.49Å |
| 1295 | V | 90.6 | Very high | 84 | Confident | 2.4 Ų | 2.4 | 56.1 Ų | 56.1 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 133.5 | 177.9 | 71.9 | 0 | 0 | 0 | 0 | 112.2 | P1271 K1272 F1273 L1298 M1303 G1327 I1329 V1348 | P1271-V1295 HydrophobicContact CB-CG2 4.07Å; K1272-V1295 WeakPolarHBondContact O-CA 3.24Å; K1272-V1295 WeakPolarHBondContact O-CG2 3.28Å; F1273-V1295 HydrophobicContact CD1-CB 4.47Å; V1295-L1298 WeakPolarHBondContact O-CD2 3.3Å; V1295-M1303 HydrophobicContact CG1-CE 4.11Å; V1295-M1303 HydrophobicContact CG1-SD 3.64Å; V1295-M1303 VanDerWaalsContact CG1-SD 3.59Å; V1295-M1303 HydrophobicContact CG2-CE 4.42Å; V1295-M1303 HydrophobicContact CG2-SD 4.47Å; V1295-G1327 PolarHBondContact N-O 2.82Å; V1295-I1329 HydrophobicContact CB-CD1 4.28Å; V1295-I1329 HydrophobicContact CG1-CD1 3.87Å; V1295-I1329 HydrophobicContact CG1-CG1 4.31Å; V1295-V1348 HydrophobicContact CG1-CG1 4.36Å; V1295-V1348 HydrophobicContact CG2-CB 4.39Å; V1295-V1348 HydrophobicContact CG2-CG1 4.1Å; V1295-V1348 HydrophobicContact CG2-CG2 4.36Å |
| 1296 | E | 86 | Confident | 84.4 | Confident | 93.2 Ų | 93.2 | 57.6 Ų | 57.6 | 44% | 0.436 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 155.5 | 168.1 | -83.6 | 171.3 | 175.2 | 0 | 0 | 109.6 | P1271 K1272 V1274 | P1271-E1296 CarbonylContact C-O 3.52Å; P1271-E1296 VanDerWaalsContact CA-O 3.23Å; P1271-E1296 WeakPolarHBondContact CA-O 3.16Å; K1272-E1296 PolarHBondContact N-O 2.82Å; K1272-E1296 IonicContact NZ-OE2 2.71Å; K1272-E1296 PolarHBondContact NZ-OE2 3.32Å; K1272-E1296 PolarHBondContact O-N 2.97Å; V1274-E1296 HydrophobicContact CG2-CB 3.9Å; V1274-E1296 HydrophobicContact CG2-CG 3.46Å; V1274-E1296 VanDerWaalsContact CG2-CG 3.46Å; V1274-E1296 WeakPolarHBondContact CG2-OE2 3.3Å |
| 1297 | P | 83.8 | Confident | 85.1 | Confident | 16.6 Ų | 16.6 | 57.2 Ų | 57.2 | 11% | 0.108 | 28% | 0.281 | C | S | . | . | S | Bend | cis | -79.6 | 144 | -0.9 | 31.3 | -33.1 | 0 | 0 | 0 | 112.8 | F1268 P1269 D1300 M1303 | F1268-P1297 HydrophobicContact CB-CG 3.95Å; F1268-P1297 HydrophobicContact CD1-CB 3.95Å; F1268-P1297 HydrophobicContact CD1-CG 3.87Å; F1268-P1297 HydrophobicContact CG-CG 4.33Å; P1269-P1297 HydrophobicContact CG-CB 4.18Å; P1269-P1297 HydrophobicContact CG-CG 4.07Å; P1269-P1297 WeakPolarHBondContact O-CD 3.43Å; P1297-D1300 HydrophobicContact CG-CB 4.17Å; P1297-M1303 WeakPolarHBondContact O-CE 3.3Å |
| 1298 | L | 77.8 | Confident | 85.5 | Confident | 75 Ų | 75 | 53.6 Ų | 53.6 | 39% | 0.393 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 153.3 | 171.9 | -54.8 | -179.8 | 0 | 0 | 0 | 110.5 | F1268 V1295 D1300 F1326 | F1268-L1298 WeakPolarHBondContact CE1-O 3.23Å; V1295-L1298 WeakPolarHBondContact O-CD2 3.3Å; L1298-D1300 VanDerWaalsContact C-N 3.27Å; L1298-D1300 PolarHBondContact O-N 2.94Å; L1298-F1326 WeakPolarHBondContact CD2-O 3.34Å |
| 1299 | H | 71.1 | Confident | 85.6 | Confident | 112.8 Ų | 112.8 | 51.8 Ų | 51.8 | 52% | 0.522 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 16.3 | 176.5 | -39.9 | -77.7 | 0 | 0 | 0 | 116.5 | S401 N402 N1301 | S401-H1299 PolarHBondContact O-CE1 2.91Å; N402-H1299 PolarHBondContact OD1-CE1 2.78Å; H1299-N1301 PolarHBondContact O-N 2.98Å; H1299-N1301 VanDerWaalsContact O-N 3.16Å; H1299-N1301 PolarHBondContact O-OD1 3.13Å |
| 1300 | D | 77 | Confident | 85.5 | Confident | 11.6 Ų | 11.6 | 56.1 Ų | 56.1 | 6% | 0.062 | 28% | 0.275 | C | S | . | . | trans | -80.3 | 102.2 | 173.1 | -175.1 | -12.1 | 0 | 0 | 0 | 111.5 | F1268 P1297 L1298 S1302 M1303 N1350 | F1268-D1300 HydrophobicContact CB-CB 4.34Å; F1268-D1300 WeakPolarHBondContact CB-OD2 3.29Å; F1268-D1300 HydrophobicContact CD1-CB 3.93Å; F1268-D1300 HydrophobicContact CD2-CB 4.17Å; F1268-D1300 HydrophobicContact CE1-CB 4.21Å; F1268-D1300 HydrophobicContact CE2-CB 4.32Å; F1268-D1300 HydrophobicContact CG-CB 3.9Å; F1268-D1300 HydrophobicContact CZ-CB 4.33Å; P1297-D1300 HydrophobicContact CG-CB 4.17Å; L1298-D1300 VanDerWaalsContact C-N 3.27Å; L1298-D1300 PolarHBondContact O-N 2.94Å; D1300-S1302 VanDerWaalsContact CG-OG 3.29Å; D1300-S1302 PolarHBondContact O-N 3.15Å; D1300-S1302 VanDerWaalsContact O-N 3.14Å; D1300-S1302 WeakPolarHBondContact OD1-CA 3.22Å; D1300-S1302 VanDerWaalsContact OD1-CB 3.28Å; D1300-S1302 WeakPolarHBondContact OD1-CB 3.31Å; D1300-S1302 PolarHBondContact OD1-N 3.13Å; D1300-S1302 PolarHBondContact OD1-OG 2.79Å; D1300-S1302 PolarHBondContact OD2-OG 2.97Å; D1300-M1303 HydrophobicContact CB-CB 4.46Å; D1300-M1303 HydrophobicContact CB-CE 4.28Å; D1300-M1303 VanDerWaalsContact O-CB 3.23Å; D1300-M1303 WeakPolarHBondContact O-CB 3.28Å; D1300-M1303 PolarHBondContact O-N 3.06Å; D1300-M1303 VanDerWaalsContact O-N 3.09Å; D1300-N1350 VanDerWaalsContact OD2-CB 3.26Å; D1300-N1350 WeakPolarHBondContact OD2-CB 3.31Å; D1300-N1350 VanDerWaalsContact OD2-CG 3.29Å; D1300-N1350 PolarHBondContact OD2-ND2 2.98Å | ||
| 1301 | N | 74.7 | Confident | 85.2 | Confident | 96.4 Ų | 96.4 | 55.4 Ų | 55.4 | 52% | 0.516 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -5.9 | 179 | -66.4 | -7.7 | 0 | 0 | 0 | 114.5 | Y1152 L1232 H1299 | Y1152-N1301 WeakPolarHBondContact CE1-OD1 3.31Å; Y1152-N1301 PolarHBondContact OH-OD1 2.82Å; L1232-N1301 HydrophobicContact CB-CB 3.73Å; L1232-N1301 HydrophobicContact CD1-CB 3.36Å; L1232-N1301 HydrophobicContact CG-CB 3.51Å; H1299-N1301 PolarHBondContact O-N 2.98Å; H1299-N1301 VanDerWaalsContact O-N 3.16Å; H1299-N1301 PolarHBondContact O-OD1 3.13Å |
| 1302 | S | 79.3 | Confident | 84.9 | Confident | 34.4 Ų | 34.4 | 57.8 Ų | 57.8 | 24% | 0.241 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -6.4 | 171.6 | 73.2 | 0 | 0 | 0 | 0 | 113.5 | D1300 R1304 N1350 S1351 | D1300-S1302 VanDerWaalsContact CG-OG 3.29Å; D1300-S1302 PolarHBondContact O-N 3.15Å; D1300-S1302 VanDerWaalsContact O-N 3.14Å; D1300-S1302 WeakPolarHBondContact OD1-CA 3.22Å; D1300-S1302 VanDerWaalsContact OD1-CB 3.28Å; D1300-S1302 WeakPolarHBondContact OD1-CB 3.31Å; D1300-S1302 PolarHBondContact OD1-N 3.13Å; D1300-S1302 PolarHBondContact OD1-OG 2.79Å; D1300-S1302 PolarHBondContact OD2-OG 2.97Å; S1302-R1304 PolarHBondContact O-N 2.86Å; S1302-N1350 WeakPolarHBondContact OG-CB 3.34Å; S1302-S1351 WeakPolarHBondContact OG-CB 3.26Å; S1302-S1351 PolarHBondContact OG-N 2.85Å; S1302-S1351 PolarHBondContact OG-OG 3.22Å |
| 1303 | M | 82.3 | Confident | 84.7 | Confident | 36.6 Ų | 36.6 | 59 Ų | 59 | 18% | 0.18 | 33% | 0.333 | C | S | . | . | trans | -69.1 | 132 | -177.9 | -161.3 | -173.7 | -62.1 | 0 | 0 | 112.4 | V1295 P1297 D1300 V1348 V1349 N1350 | V1295-M1303 HydrophobicContact CG1-CE 4.11Å; V1295-M1303 HydrophobicContact CG1-SD 3.64Å; V1295-M1303 VanDerWaalsContact CG1-SD 3.59Å; V1295-M1303 HydrophobicContact CG2-CE 4.42Å; V1295-M1303 HydrophobicContact CG2-SD 4.47Å; P1297-M1303 WeakPolarHBondContact O-CE 3.3Å; D1300-M1303 HydrophobicContact CB-CB 4.46Å; D1300-M1303 HydrophobicContact CB-CE 4.28Å; D1300-M1303 VanDerWaalsContact O-CB 3.23Å; D1300-M1303 WeakPolarHBondContact O-CB 3.28Å; D1300-M1303 PolarHBondContact O-N 3.06Å; D1300-M1303 VanDerWaalsContact O-N 3.09Å; M1303-V1348 HydrophobicContact CG-CG1 3.46Å; M1303-V1348 VanDerWaalsContact CG-CG1 3.43Å; M1303-V1348 HydrophobicContact SD-CG1 3.69Å; M1303-V1349 CarbonylContact C-O 3.55Å; M1303-V1349 VanDerWaalsContact CA-O 3.28Å; M1303-V1349 WeakPolarHBondContact CA-O 3.38Å; M1303-N1350 HydrophobicContact CB-CB 4.4Å; M1303-N1350 HydrophobicContact CG-CB 4.45Å | ||
| 1304 | R | 85 | Confident | 84.4 | Confident | 164.2 Ų | 164.2 | 60.7 Ų | 60.7 | 62% | 0.62 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 136.8 | 176.5 | -58.9 | -178.7 | -172.1 | -92 | -7.2 | 109.4 | S1235 S1302 V1348 V1349 | S1235-R1304 PolarHBondContact OG-NH2 2.78Å; S1302-R1304 PolarHBondContact O-N 2.86Å; R1304-V1348 CarbonylContact O-C 3.54Å; R1304-V1348 VanDerWaalsContact O-CA 3.31Å; R1304-V1348 WeakPolarHBondContact O-CA 3.42Å; R1304-V1349 PolarHBondContact N-O 3.06Å; R1304-V1349 PolarHBondContact O-N 3.02Å |
| 1305 | V | 89.1 | Confident | 83.6 | Confident | 37.8 Ų | 37.8 | 62.3 Ų | 62.3 | 23% | 0.229 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 122.4 | 176.4 | -174 | 0 | 0 | 0 | 0 | 109 | N1324 I1329 C1346 R1347 V1348 | V1305-N1324 HydrophobicContact CB-CB 4.44Å; V1305-N1324 HydrophobicContact CG2-CB 3.97Å; V1305-N1324 VanDerWaalsContact CG2-CG 3.44Å; V1305-N1324 WeakPolarHBondContact CG2-OD1 3.36Å; V1305-I1329 HydrophobicContact CG1-CD1 4.21Å; V1305-I1329 HydrophobicContact CG1-CG1 4.44Å; V1305-I1329 HydrophobicContact CG1-CG2 4.23Å; V1305-I1329 HydrophobicContact CG2-CD1 3.93Å; V1305-I1329 HydrophobicContact CG2-CG1 4.27Å; V1305-C1346 VanDerWaalsContact CG1-SG 3.56Å; V1305-R1347 CarbonylContact C-O 3.51Å; V1305-R1347 WeakPolarHBondContact CA-O 3.21Å; V1305-V1348 HydrophobicContact CG1-CG2 4.47Å; V1305-V1348 HydrophobicContact CG2-CG1 4.4Å; V1305-V1348 HydrophobicContact CG2-CG2 4.29Å |
| 1306 | E | 89.8 | Confident | 82.5 | Confident | 92.4 Ų | 92.4 | 66.9 Ų | 66.9 | 43% | 0.432 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 124.7 | 178.3 | -66.7 | 175.7 | 173.7 | 0 | 0 | 109.5 | C1346 R1347 | E1306-C1346 CarbonylContact O-C 3.18Å; E1306-C1346 WeakPolarHBondContact O-CA 3.4Å; E1306-R1347 HydrophobicContact CB-CB 4.3Å; E1306-R1347 PolarHBondContact N-O 3.12Å; E1306-R1347 PolarHBondContact O-N 2.98Å; E1306-R1347 IonicContact OE1-NH1 3.46Å; E1306-R1347 PolarHBondContact OE1-NH1 2.91Å; E1306-R1347 IonicContact OE2-CZ 2.78Å; E1306-R1347 IonicContact OE2-NH1 3.72Å; E1306-R1347 PolarHBondContact OE2-NH1 2.9Å |
| 1307 | W | 90.7 | Very high | 81.9 | Confident | 32 Ų | 32 | 64.7 Ų | 64.7 | 12% | 0.121 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 138.2 | 178.6 | -80 | 99 | 0 | 0 | 0 | 111.9 | F1277 L1314 C1322 I1329 F1331 C1346 F1359 | F1277-W1307 HydrophobicContact CD1-CH2 4.32Å; F1277-W1307 HydrophobicContact CD2-CH2 4.39Å; F1277-W1307 AromaticContact CE1-CH2 3.79Å; F1277-W1307 HydrophobicContact CE1-CH2 3.84Å; F1277-W1307 AromaticContact CE1-CZ2 3.91Å; F1277-W1307 HydrophobicContact CE1-CZ2 4.2Å; F1277-W1307 AromaticContact CE2-CH2 3.71Å; F1277-W1307 HydrophobicContact CE2-CH2 3.77Å; F1277-W1307 HydrophobicContact CE2-CZ2 4.26Å; F1277-W1307 HydrophobicContact CE2-CZ3 4.48Å; F1277-W1307 AromaticContact CZ-CH2 3.36Å; F1277-W1307 HydrophobicContact CZ-CH2 3.36Å; F1277-W1307 VanDerWaalsContact CZ-CH2 3.41Å; F1277-W1307 AromaticContact CZ-CZ2 3.65Å; F1277-W1307 HydrophobicContact CZ-CZ2 3.65Å; F1277-W1307 VanDerWaalsContact CZ-CZ2 3.47Å; F1277-W1307 HydrophobicContact CZ-CZ3 4.4Å; W1307-L1314 HydrophobicContact CB-CB 3.83Å; W1307-L1314 HydrophobicContact CB-CD2 3.89Å; W1307-L1314 HydrophobicContact CB-CG 4.45Å; W1307-L1314 HydrophobicContact CG-CD2 4.36Å; W1307-L1314 PolarHBondContact O-N 2.93Å; W1307-C1322 HydrophobicContact CG-CB 4.48Å; W1307-I1329 HydrophobicContact CZ2-CG2 3.75Å; W1307-F1331 HydrophobicContact CD2-CD2 4.27Å; W1307-F1331 AromaticContact CE3-CD2 3.92Å; W1307-F1331 HydrophobicContact CE3-CD2 3.94Å; W1307-F1331 HydrophobicContact CE3-CE2 4.34Å; W1307-F1331 HydrophobicContact CH2-CB 3.57Å; W1307-F1331 AromaticContact CH2-CD2 3.72Å; W1307-F1331 HydrophobicContact CH2-CD2 3.72Å; W1307-F1331 AromaticContact CH2-CG 3.88Å; W1307-F1331 HydrophobicContact CH2-CG 3.88Å; W1307-F1331 HydrophobicContact CZ2-CB 3.79Å; W1307-F1331 HydrophobicContact CZ2-CD2 4.06Å; W1307-F1331 HydrophobicContact CZ2-CG 4.35Å; W1307-F1331 HydrophobicContact CZ3-CB 4.35Å; W1307-F1331 AromaticContact CZ3-CD2 3.66Å; W1307-F1331 HydrophobicContact CZ3-CD2 3.66Å; W1307-F1331 HydrophobicContact CZ3-CE2 4.27Å; W1307-F1331 HydrophobicContact CZ3-CG 4.16Å; W1307-C1346 HydrophobicContact CD2-CB 4.07Å; W1307-C1346 HydrophobicContact CE3-CB 3.92Å; W1307-C1346 HydrophobicContact CH2-CB 3.75Å; W1307-C1346 HydrophobicContact CZ2-CB 3.89Å; W1307-C1346 HydrophobicContact CZ3-CB 3.75Å; W1307-F1359 AromaticContact CH2-CE1 3.89Å; W1307-F1359 HydrophobicContact CH2-CE1 3.94Å; W1307-F1359 AromaticContact CZ3-CE1 3.73Å; W1307-F1359 HydrophobicContact CZ3-CE1 3.73Å; W1307-F1359 HydrophobicContact CZ3-CZ 4.31Å |
| 1308 | S | 89.7 | Confident | 81.4 | Confident | 22 Ų | 22 | 69.8 Ų | 69.8 | 15% | 0.154 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 145.4 | 173.8 | 58.2 | 0 | 0 | 0 | 0 | 112.2 | A1312 Y1344 Q1345 | S1308-A1312 CarbonylContact C-O 3.5Å; S1308-A1312 WeakPolarHBondContact CA-O 3.27Å; S1308-A1312 WeakPolarHBondContact CB-O 3.2Å; S1308-Y1344 CarbonylContact O-C 3.57Å; S1308-Y1344 WeakPolarHBondContact O-CA 3.39Å; S1308-Q1345 PolarHBondContact N-O 3.24Å; S1308-Q1345 PolarHBondContact O-N 2.87Å; S1308-Q1345 WeakPolarHBondContact OG-CB 3.31Å; S1308-Q1345 PolarHBondContact OG-O 2.94Å; S1308-Q1345 VanDerWaalsContact OG-O 3.05Å |
| 1309 | H | 89.5 | Confident | 81.8 | Confident | 36.2 Ų | 36.2 | 67.4 Ų | 67.4 | 17% | 0.168 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123.1 | 175.1 | 176.6 | -125.2 | 0 | 0 | 0 | 108.5 | G1311 A1312 L1314 E1339 D1340 Q1341 Y1344 | H1309-G1311 PolarHBondContact O-N 3.06Å; H1309-G1311 VanDerWaalsContact O-N 3.08Å; H1309-A1312 PolarHBondContact N-O 3Å; H1309-A1312 PolarHBondContact O-N 3.3Å; H1309-L1314 HydrophobicContact CB-CD1 3.93Å; H1309-E1339 PolarHBondContact CE1-O 3.48Å; H1309-D1340 PolarHBondContact NE2-O 3.08Å; H1309-Q1341 PolarHBondContact NE2-O 2.92Å; H1309-Y1344 HydrophobicContact CB-CD1 4.13Å; H1309-Y1344 HydrophobicContact CB-CE1 3.95Å; H1309-Y1344 AromaticContact CD2-CD1 3.89Å; H1309-Y1344 AromaticContact CD2-CD2 3.81Å; H1309-Y1344 AromaticContact CD2-CE1 3.43Å; H1309-Y1344 VanDerWaalsContact CD2-CE1 3.46Å; H1309-Y1344 WeakPolarHBondContact CD2-CE1 3.39Å; H1309-Y1344 AromaticContact CD2-CE2 3.39Å; H1309-Y1344 VanDerWaalsContact CD2-CE2 3.42Å; H1309-Y1344 WeakPolarHBondContact CD2-CE2 3.31Å; H1309-Y1344 AromaticContact CD2-CG 3.95Å; H1309-Y1344 AromaticContact CD2-CZ 3.17Å; H1309-Y1344 PolarHBondContact CD2-OH 2.88Å; H1309-Y1344 AromaticContact CG-CE1 3.91Å; H1309-Y1344 AromaticContact CG-CZ 3.96Å; H1309-Y1344 AromaticContact NE2-CE2 3.67Å; H1309-Y1344 AromaticContact NE2-CZ 3.5Å; H1309-Y1344 PolarHBondContact NE2-OH 2.98Å |
| 1310 | N | 87.4 | Confident | 82.6 | Confident | 99 Ų | 99 | 62.6 Ų | 62.6 | 53% | 0.529 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 29.1 | -177.1 | -63.4 | -45.2 | 0 | 0 | 0 | 114 | A1312 Q1341 G1342 S1343 | N1310-A1312 VanDerWaalsContact C-N 3.32Å; N1310-Q1341 PolarHBondContact ND2-O 3.19Å; N1310-G1342 WeakPolarHBondContact OD1-CA 3.33Å; N1310-S1343 PolarHBondContact N-O 3.15Å; N1310-S1343 PolarHBondContact OD1-N 2.94Å |
| 1311 | G | 83.5 | Confident | 83 | Confident | 71.8 Ų | 71.8 | 65.4 Ų | 65.4 | 74% | 0.74 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | -1.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | H1309 | H1309-G1311 PolarHBondContact O-N 3.06Å; H1309-G1311 VanDerWaalsContact O-N 3.08Å |
| 1312 | A | 84 | Confident | 83.7 | Confident | 61.4 Ų | 61.4 | 63.2 Ų | 63.2 | 51% | 0.507 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 151.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | S1308 H1309 N1310 L1314 | S1308-A1312 CarbonylContact C-O 3.5Å; S1308-A1312 WeakPolarHBondContact CA-O 3.27Å; S1308-A1312 WeakPolarHBondContact CB-O 3.2Å; H1309-A1312 PolarHBondContact N-O 3Å; H1309-A1312 PolarHBondContact O-N 3.3Å; N1310-A1312 VanDerWaalsContact C-N 3.32Å; A1312-L1314 PolarHBondContact O-N 3.08Å |
| 1313 | A | 84.9 | Confident | 83.9 | Confident | 85.8 Ų | 85.8 | 62.5 Ų | 62.5 | 71% | 0.709 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 134.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | P1315 | A1313-P1315 VanDerWaalsContact O-CD 3.32Å; A1313-P1315 WeakPolarHBondContact O-CD 3.23Å |
| 1314 | L | 85 | Confident | 83.9 | Confident | 35.8 Ų | 35.8 | 64.9 Ų | 64.9 | 19% | 0.187 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 120.6 | -178.8 | -174.9 | 73 | 0 | 0 | 0 | 109.8 | W1307 H1309 A1312 A1316 V1320 C1322 F1331 Y1344 | W1307-L1314 HydrophobicContact CB-CB 3.83Å; W1307-L1314 HydrophobicContact CB-CD2 3.89Å; W1307-L1314 HydrophobicContact CB-CG 4.45Å; W1307-L1314 HydrophobicContact CG-CD2 4.36Å; W1307-L1314 PolarHBondContact O-N 2.93Å; H1309-L1314 HydrophobicContact CB-CD1 3.93Å; A1312-L1314 PolarHBondContact O-N 3.08Å; L1314-A1316 PolarHBondContact O-N 2.82Å; L1314-V1320 HydrophobicContact CD1-CG1 4.44Å; L1314-V1320 HydrophobicContact CD2-CG1 4.05Å; L1314-C1322 VanDerWaalsContact CD2-SG 3.52Å; L1314-F1331 HydrophobicContact CD1-CE2 4.44Å; L1314-F1331 HydrophobicContact CD2-CD2 4.37Å; L1314-F1331 HydrophobicContact CD2-CE2 3.82Å; L1314-Y1344 HydrophobicContact CD1-CD1 4.28Å; L1314-Y1344 HydrophobicContact CD1-CE1 3.8Å |
| 1315 | P | 75 | Confident | 83.6 | Confident | 91.4 Ų | 91.4 | 62.3 Ų | 62.3 | 59% | 0.594 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 138.6 | 176 | 1.4 | 5.8 | 0 | 0 | 0 | 110.7 | A1313 S1317 | A1313-P1315 VanDerWaalsContact O-CD 3.32Å; A1313-P1315 WeakPolarHBondContact O-CD 3.23Å; P1315-S1317 PolarHBondContact O-N 3.06Å |
| 1316 | A | 66.1 | Low | 83 | Confident | 97.6 Ų | 97.6 | 67.2 Ų | 67.2 | 81% | 0.807 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -63 | 135.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L1314 | L1314-A1316 PolarHBondContact O-N 2.82Š|
| 1317 | S | 73.8 | Confident | 82.5 | Confident | 47.4 Ų | 47.4 | 63.3 Ų | 63.3 | 33% | 0.331 | 41% | 0.414 | S | S | . | . | trans | -145.9 | 150.9 | -177.4 | 162.5 | 0 | 0 | 0 | 0 | 110.3 | P1315 R1319 V1320 | P1315-S1317 PolarHBondContact O-N 3.06Å; S1317-R1319 PolarHBondContact O-N 3.1Å; S1317-R1319 VanDerWaalsContact O-N 3.12Å; S1317-R1319 WeakPolarHBondContact OG-CB 3.41Å; S1317-R1319 PolarHBondContact OG-N 2.83Å; S1317-R1319 VanDerWaalsContact OG-N 3.11Å; S1317-V1320 PolarHBondContact N-O 3Å; S1317-V1320 CarbonylContact O-C 3.52Å; S1317-V1320 PolarHBondContact O-N 2.85Å; S1317-V1320 PolarHBondContact OG-N 2.86Å | ||
| 1318 | S | 73.2 | Confident | 82.4 | Confident | 123.2 Ų | 123.2 | 64.1 Ų | 64.1 | 86% | 0.862 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -69.1 | -11.8 | 170.4 | 57.7 | 0 | 0 | 0 | 0 | 113 | ||
| 1319 | R | 87.6 | Confident | 82.4 | Confident | 25.2 Ų | 25.2 | 63.1 Ų | 63.1 | 10% | 0.095 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -98.3 | -23.7 | 178.1 | -171 | 173.5 | 66.2 | 73.6 | -1 | 113 | S1317 I1333 A1334 Y1335 E1339 D1340 | S1317-R1319 PolarHBondContact O-N 3.1Å; S1317-R1319 VanDerWaalsContact O-N 3.12Å; S1317-R1319 WeakPolarHBondContact OG-CB 3.41Å; S1317-R1319 PolarHBondContact OG-N 2.83Å; S1317-R1319 VanDerWaalsContact OG-N 3.11Å; R1319-I1333 HydrophobicContact CG-CG2 4.32Å; R1319-I1333 VanDerWaalsContact NH1-CG2 3.29Å; R1319-I1333 CarbonylContact O-C 3.55Å; R1319-I1333 VanDerWaalsContact O-CA 3.27Å; R1319-I1333 WeakPolarHBondContact O-CA 3.38Å; R1319-A1334 HydrophobicContact CG-CB 4.41Å; R1319-A1334 PolarHBondContact O-N 2.99Å; R1319-Y1335 VanDerWaalsContact CD-CD2 3.42Å; R1319-Y1335 VanDerWaalsContact CD-O 3.31Å; R1319-Y1335 WeakPolarHBondContact CD-O 3.38Å; R1319-Y1335 HydrophobicContact CG-CD1 4.09Å; R1319-Y1335 HydrophobicContact CG-CD2 4.34Å; R1319-Y1335 HydrophobicContact CG-CE1 3.85Å; R1319-Y1335 HydrophobicContact CG-CE2 4.14Å; R1319-Y1335 HydrophobicContact CG-CG 4.31Å; R1319-Y1335 PolarHBondContact NH1-O 2.96Å; R1319-Y1335 VanDerWaalsContact NH1-O 3.13Å; R1319-E1339 IonicContact NH2-OE1 2.72Å; R1319-E1339 PolarHBondContact NH2-OE1 3.5Å; R1319-D1340 IonicContact CZ-OD1 3.13Å; R1319-D1340 VanDerWaalsContact CZ-OD1 3.27Å; R1319-D1340 IonicContact CZ-OD2 3.18Å; R1319-D1340 VanDerWaalsContact NH1-CG 3.28Å; R1319-D1340 IonicContact NH1-OD1 3.33Å; R1319-D1340 PolarHBondContact NH1-OD1 3.06Å; R1319-D1340 VanDerWaalsContact NH1-OD1 3.11Å; R1319-D1340 IonicContact NH1-OD2 3.26Å; R1319-D1340 PolarHBondContact NH1-OD2 3.04Å; R1319-D1340 IonicContact NH2-OD1 3.28Å; R1319-D1340 PolarHBondContact NH2-OD1 3.07Å; R1319-D1340 IonicContact NH2-OD2 3.3Å; R1319-D1340 PolarHBondContact NH2-OD2 2.77Å |
| 1320 | V | 87.8 | Confident | 82.5 | Confident | 13.2 Ų | 13.2 | 62.5 Ų | 62.5 | 8% | 0.08 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 111.8 | -178.2 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | L1314 S1317 F1331 D1332 I1333 | L1314-V1320 HydrophobicContact CD1-CG1 4.44Å; L1314-V1320 HydrophobicContact CD2-CG1 4.05Å; S1317-V1320 PolarHBondContact N-O 3Å; S1317-V1320 CarbonylContact O-C 3.52Å; S1317-V1320 PolarHBondContact O-N 2.85Å; S1317-V1320 PolarHBondContact OG-N 2.86Å; V1320-F1331 HydrophobicContact CG1-CE2 3.84Å; V1320-F1331 HydrophobicContact CG1-CZ 3.92Å; V1320-D1332 CarbonylContact C-O 3.51Å; V1320-D1332 VanDerWaalsContact CA-O 3.25Å; V1320-D1332 WeakPolarHBondContact CA-O 3.35Å; V1320-I1333 HydrophobicContact CG1-CG1 4.33Å; V1320-I1333 HydrophobicContact CG2-CG1 4.19Å; V1320-I1333 HydrophobicContact CG2-CG2 4.29Å |
| 1321 | S | 85.4 | Confident | 82.7 | Confident | 68.8 Ų | 68.8 | 57.8 Ų | 57.8 | 48% | 0.481 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 147.3 | 179.3 | 46.4 | 0 | 0 | 0 | 0 | 111.5 | D1332 | S1321-D1332 PolarHBondContact N-O 2.99Å; S1321-D1332 PolarHBondContact O-N 3Å; S1321-D1332 VanDerWaalsContact OG-CB 3.3Å; S1321-D1332 WeakPolarHBondContact OG-CB 3.41Å |
| 1322 | C | 87.7 | Confident | 83 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 34% | 0.338 | 36% | 0.362 | S | S | . | . | trans | -135.1 | 120.7 | 176.9 | -50.8 | 0 | 0 | 0 | 0 | 109.5 | W1307 L1314 T1330 | W1307-C1322 HydrophobicContact CG-CB 4.48Å; L1314-C1322 VanDerWaalsContact CD2-SG 3.52Å; C1322-T1330 CarbonylContact C-O 3.45Å; C1322-T1330 VanDerWaalsContact CA-O 3.25Å; C1322-T1330 WeakPolarHBondContact CA-O 3.41Å | ||
| 1323 | G | 84.2 | Confident | 83.2 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 22% | 0.216 | 34% | 0.338 | C | S | . | . | trans | -95.8 | 158.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1329 T1330 | G1323-I1329 CarbonylContact O-C 3.56Å; G1323-I1329 VanDerWaalsContact O-CA 3.3Å; G1323-I1329 WeakPolarHBondContact O-CA 3.38Å; G1323-T1330 WeakPolarHBondContact CA-OG1 3.34Å; G1323-T1330 PolarHBondContact N-O 2.97Å; G1323-T1330 VanDerWaalsContact N-O 3.08Å; G1323-T1330 PolarHBondContact N-OG1 3.19Å; G1323-T1330 VanDerWaalsContact N-OG1 3.1Å; G1323-T1330 PolarHBondContact O-N 2.9Å; G1323-T1330 VanDerWaalsContact O-N 3.12Å | ||
| 1324 | N | 83.3 | Confident | 83.1 | Confident | 86.8 Ų | 86.8 | 52.2 Ų | 52.2 | 46% | 0.464 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 70.2 | 170.7 | 105 | -43.9 | 0 | 0 | 0 | 111.1 | V1305 L1328 I1329 | V1305-N1324 HydrophobicContact CB-CB 4.44Å; V1305-N1324 HydrophobicContact CG2-CB 3.97Å; V1305-N1324 VanDerWaalsContact CG2-CG 3.44Å; V1305-N1324 WeakPolarHBondContact CG2-OD1 3.36Å; N1324-L1328 CarbonylContact C-O 3.44Å; N1324-L1328 VanDerWaalsContact CA-O 3.29Å; N1324-L1328 WeakPolarHBondContact CA-O 3.3Å; N1324-I1329 HydrophobicContact CB-CG1 4.47Å |
| 1325 | D | 77.4 | Confident | 83.1 | Confident | 109.4 Ų | 109.4 | 55.6 Ų | 55.6 | 59% | 0.585 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 124.2 | -176.7 | -75.6 | -50.2 | 0 | 0 | 0 | 111 | G1327 L1328 | D1325-G1327 PolarHBondContact O-N 2.92Å; D1325-G1327 VanDerWaalsContact O-N 3.09Å; D1325-L1328 PolarHBondContact N-O 2.82Å; D1325-L1328 VanDerWaalsContact N-O 3.07Å; D1325-L1328 WeakPolarHBondContact O-CA 3.34Å; D1325-L1328 VanDerWaalsContact O-CB 3.3Å; D1325-L1328 WeakPolarHBondContact O-CB 3.35Å; D1325-L1328 PolarHBondContact O-N 3.13Å |
| 1326 | F | 77.3 | Confident | 83.6 | Confident | 141 Ų | 141 | 51.3 Ų | 51.3 | 62% | 0.618 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 37.4 | 175.6 | -56 | -83.9 | 0 | 0 | 0 | 115.2 | S401 L1298 L1328 | S401-F1326 WeakPolarHBondContact O-CD1 3.36Å; L1298-F1326 WeakPolarHBondContact CD2-O 3.34Å; F1326-L1328 VanDerWaalsContact C-N 3.31Å; F1326-L1328 PolarHBondContact O-N 2.8Å |
| 1327 | G | 79.1 | Confident | 84.5 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | -3.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1294 V1295 D1325 | L1294-G1327 CarbonylContact C-O 3.55Å; L1294-G1327 VanDerWaalsContact CA-O 3.26Å; L1294-G1327 WeakPolarHBondContact CA-O 3.35Å; V1295-G1327 PolarHBondContact N-O 2.82Å; D1325-G1327 PolarHBondContact O-N 2.92Å; D1325-G1327 VanDerWaalsContact O-N 3.09Å |
| 1328 | L | 87.8 | Confident | 85 | Confident | 49.4 Ų | 49.4 | 48.5 Ų | 48.5 | 26% | 0.259 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 117.7 | 165.3 | 178.5 | 75.6 | 0 | 0 | 0 | 109.7 | E414 E1292 L1294 N1324 D1325 F1326 T1330 | E414-L1328 HydrophobicContact CG-CD1 3.91Å; E414-L1328 WeakPolarHBondContact OE1-CD1 3.42Å; E414-L1328 WeakPolarHBondContact OE1-CD2 3.47Å; E414-L1328 WeakPolarHBondContact OE2-CD2 3.1Å; E1292-L1328 HydrophobicContact CB-CD1 4.15Å; E1292-L1328 HydrophobicContact CG-CD1 4.25Å; E1292-L1328 WeakPolarHBondContact OE1-CD1 3.45Å; E1292-L1328 WeakPolarHBondContact OE2-CD1 3.49Å; L1294-L1328 HydrophobicContact CD2-CB 4.18Å; L1294-L1328 HydrophobicContact CD2-CD1 3.81Å; L1294-L1328 HydrophobicContact CG-CD1 4.49Å; N1324-L1328 CarbonylContact C-O 3.44Å; N1324-L1328 VanDerWaalsContact CA-O 3.29Å; N1324-L1328 WeakPolarHBondContact CA-O 3.3Å; D1325-L1328 PolarHBondContact N-O 2.82Å; D1325-L1328 VanDerWaalsContact N-O 3.07Å; D1325-L1328 WeakPolarHBondContact O-CA 3.34Å; D1325-L1328 VanDerWaalsContact O-CB 3.3Å; D1325-L1328 WeakPolarHBondContact O-CB 3.35Å; D1325-L1328 PolarHBondContact O-N 3.13Å; F1326-L1328 VanDerWaalsContact C-N 3.31Å; F1326-L1328 PolarHBondContact O-N 2.8Å; L1328-T1330 HydrophobicContact CD1-CG2 4.18Å; L1328-T1330 HydrophobicContact CD2-CG2 4.07Å; L1328-T1330 HydrophobicContact CG-CG2 4.05Å |
| 1329 | I | 90.8 | Very high | 85.5 | Confident | 0.6 Ų | 0.6 | 48.1 Ų | 48.1 | 0% | 0.003 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 115.6 | 172.9 | -58.8 | 173.9 | 0 | 0 | 0 | 107.8 | F1273 F1277 E1292 A1293 V1295 V1305 W1307 G1323 N1324 V1348 | F1273-I1329 HydrophobicContact CE1-CD1 4.14Å; F1277-I1329 HydrophobicContact CE1-CG2 4.26Å; F1277-I1329 HydrophobicContact CZ-CB 4.46Å; F1277-I1329 HydrophobicContact CZ-CG2 4.03Å; E1292-I1329 CarbonylContact C-O 3.49Å; E1292-I1329 WeakPolarHBondContact CA-O 3.23Å; A1293-I1329 HydrophobicContact CB-CB 4.44Å; A1293-I1329 PolarHBondContact N-O 2.96Å; A1293-I1329 PolarHBondContact O-N 3.22Å; A1293-I1329 VanDerWaalsContact O-N 3.17Å; V1295-I1329 HydrophobicContact CB-CD1 4.28Å; V1295-I1329 HydrophobicContact CG1-CD1 3.87Å; V1295-I1329 HydrophobicContact CG1-CG1 4.31Å; V1305-I1329 HydrophobicContact CG1-CD1 4.21Å; V1305-I1329 HydrophobicContact CG1-CG1 4.44Å; V1305-I1329 HydrophobicContact CG1-CG2 4.23Å; V1305-I1329 HydrophobicContact CG2-CD1 3.93Å; V1305-I1329 HydrophobicContact CG2-CG1 4.27Å; W1307-I1329 HydrophobicContact CZ2-CG2 3.75Å; G1323-I1329 CarbonylContact O-C 3.56Å; G1323-I1329 VanDerWaalsContact O-CA 3.3Å; G1323-I1329 WeakPolarHBondContact O-CA 3.38Å; N1324-I1329 HydrophobicContact CB-CG1 4.47Å; I1329-V1348 HydrophobicContact CD1-CG2 3.52Å; I1329-V1348 VanDerWaalsContact CD1-CG2 3.48Å |
| 1330 | T | 90.7 | Very high | 85.6 | Confident | 24.2 Ų | 24.2 | 47.3 Ų | 47.3 | 15% | 0.148 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 153 | 174.6 | 73.8 | 0 | 0 | 0 | 0 | 111.1 | L1291 E1292 C1322 G1323 L1328 D1332 | L1291-T1330 CarbonylContact O-C 3.53Å; L1291-T1330 WeakPolarHBondContact O-CA 3.29Å; E1292-T1330 HydrophobicContact CG-CG2 4.25Å; C1322-T1330 CarbonylContact C-O 3.45Å; C1322-T1330 VanDerWaalsContact CA-O 3.25Å; C1322-T1330 WeakPolarHBondContact CA-O 3.41Å; G1323-T1330 WeakPolarHBondContact CA-OG1 3.34Å; G1323-T1330 PolarHBondContact N-O 2.97Å; G1323-T1330 VanDerWaalsContact N-O 3.08Å; G1323-T1330 PolarHBondContact N-OG1 3.19Å; G1323-T1330 VanDerWaalsContact N-OG1 3.1Å; G1323-T1330 PolarHBondContact O-N 2.9Å; G1323-T1330 VanDerWaalsContact O-N 3.12Å; L1328-T1330 HydrophobicContact CD1-CG2 4.18Å; L1328-T1330 HydrophobicContact CD2-CG2 4.07Å; L1328-T1330 HydrophobicContact CG-CG2 4.05Å; T1330-D1332 WeakPolarHBondContact CB-OD2 3.36Å; T1330-D1332 PolarHBondContact OG1-OD2 2.94Å; T1330-D1332 VanDerWaalsContact OG1-OD2 3.08Å |
| 1331 | F | 91.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 118.8 | 170.9 | 177 | -85.8 | 0 | 0 | 0 | 108.9 | H1290 L1291 W1307 L1314 V1320 I1333 Y1344 F1359 | H1290-F1331 CarbonylContact C-O 3.56Å; H1290-F1331 WeakPolarHBondContact CA-O 3.39Å; L1291-F1331 HydrophobicContact CB-CB 4.37Å; L1291-F1331 HydrophobicContact CD1-CD1 4.34Å; L1291-F1331 PolarHBondContact N-O 3.02Å; L1291-F1331 PolarHBondContact O-N 3.02Å; W1307-F1331 HydrophobicContact CD2-CD2 4.27Å; W1307-F1331 AromaticContact CE3-CD2 3.92Å; W1307-F1331 HydrophobicContact CE3-CD2 3.94Å; W1307-F1331 HydrophobicContact CE3-CE2 4.34Å; W1307-F1331 HydrophobicContact CH2-CB 3.57Å; W1307-F1331 AromaticContact CH2-CD2 3.72Å; W1307-F1331 HydrophobicContact CH2-CD2 3.72Å; W1307-F1331 AromaticContact CH2-CG 3.88Å; W1307-F1331 HydrophobicContact CH2-CG 3.88Å; W1307-F1331 HydrophobicContact CZ2-CB 3.79Å; W1307-F1331 HydrophobicContact CZ2-CD2 4.06Å; W1307-F1331 HydrophobicContact CZ2-CG 4.35Å; W1307-F1331 HydrophobicContact CZ3-CB 4.35Å; W1307-F1331 AromaticContact CZ3-CD2 3.66Å; W1307-F1331 HydrophobicContact CZ3-CD2 3.66Å; W1307-F1331 HydrophobicContact CZ3-CE2 4.27Å; W1307-F1331 HydrophobicContact CZ3-CG 4.16Å; L1314-F1331 HydrophobicContact CD1-CE2 4.44Å; L1314-F1331 HydrophobicContact CD2-CD2 4.37Å; L1314-F1331 HydrophobicContact CD2-CE2 3.82Å; V1320-F1331 HydrophobicContact CG1-CE2 3.84Å; V1320-F1331 HydrophobicContact CG1-CZ 3.92Å; F1331-I1333 HydrophobicContact CE1-CD1 3.73Å; F1331-I1333 HydrophobicContact CE1-CG1 3.6Å; F1331-I1333 HydrophobicContact CZ-CD1 3.91Å; F1331-I1333 HydrophobicContact CZ-CG1 3.89Å; F1331-Y1344 HydrophobicContact CE1-CD1 4.46Å; F1331-Y1344 HydrophobicContact CE1-CE1 4.36Å; F1331-Y1344 AromaticContact CE2-CD1 3.65Å; F1331-Y1344 HydrophobicContact CE2-CD1 3.65Å; F1331-Y1344 AromaticContact CE2-CE1 3.71Å; F1331-Y1344 HydrophobicContact CE2-CE1 3.71Å; F1331-Y1344 HydrophobicContact CE2-CG 4.45Å; F1331-Y1344 AromaticContact CZ-CD1 3.57Å; F1331-Y1344 HydrophobicContact CZ-CD1 3.57Å; F1331-Y1344 AromaticContact CZ-CE1 3.32Å; F1331-Y1344 HydrophobicContact CZ-CE1 3.32Å; F1331-Y1344 HydrophobicContact CZ-CE2 4.42Å; F1331-Y1344 HydrophobicContact CZ-CG 4.25Å; F1331-Y1344 AromaticContact CZ-CZ 3.82Å; F1331-F1359 HydrophobicContact CD1-CE1 4.35Å; F1331-F1359 HydrophobicContact CD1-CE2 4.4Å; F1331-F1359 AromaticContact CD1-CZ 3.57Å; F1331-F1359 HydrophobicContact CD1-CZ 3.57Å; F1331-F1359 HydrophobicContact CD2-CZ 4.39Å; F1331-F1359 HydrophobicContact CE1-CE2 4.23Å; F1331-F1359 AromaticContact CE1-CZ 3.68Å; F1331-F1359 HydrophobicContact CE1-CZ 3.68Å; F1331-F1359 HydrophobicContact CE2-CZ 4.46Å; F1331-F1359 HydrophobicContact CG-CE1 4.38Å; F1331-F1359 AromaticContact CG-CZ 3.95Å; F1331-F1359 HydrophobicContact CG-CZ 3.96Å; F1331-F1359 HydrophobicContact CZ-CZ 4.18Å |
| 1332 | D | 89.7 | Confident | 85.7 | Confident | 39.4 Ų | 39.4 | 48.8 Ų | 48.8 | 21% | 0.211 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134.1 | -169.4 | -70.3 | -72.8 | 0 | 0 | 0 | 110.5 | V1289 H1290 V1320 S1321 T1330 | V1289-D1332 CarbonylContact O-C 3.54Å; V1289-D1332 WeakPolarHBondContact O-CA 3.28Å; H1290-D1332 WeakPolarHBondContact CB-OD1 3.41Å; H1290-D1332 IonicContact CD2-OD1 3.7Å; H1290-D1332 IonicContact CE1-OD1 3.65Å; H1290-D1332 IonicContact CG-OD1 2.98Å; H1290-D1332 IonicContact ND1-OD1 3.52Å; H1290-D1332 PolarHBondContact ND1-OD1 3.02Å; H1290-D1332 IonicContact ND1-OD2 3.06Å; V1320-D1332 CarbonylContact C-O 3.51Å; V1320-D1332 VanDerWaalsContact CA-O 3.25Å; V1320-D1332 WeakPolarHBondContact CA-O 3.35Å; S1321-D1332 PolarHBondContact N-O 2.99Å; S1321-D1332 PolarHBondContact O-N 3Å; S1321-D1332 VanDerWaalsContact OG-CB 3.3Å; S1321-D1332 WeakPolarHBondContact OG-CB 3.41Å; T1330-D1332 WeakPolarHBondContact CB-OD2 3.36Å; T1330-D1332 PolarHBondContact OG1-OD2 2.94Å; T1330-D1332 VanDerWaalsContact OG1-OD2 3.08Å |
| 1333 | I | 89.8 | Confident | 85.9 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 115 | 167.8 | -51 | -175.9 | 0 | 0 | 0 | 108.1 | P1288 V1289 R1319 V1320 F1331 Y1335 D1340 L1361 | P1288-I1333 CarbonylContact C-O 3.53Å; P1288-I1333 VanDerWaalsContact CA-O 3.26Å; P1288-I1333 WeakPolarHBondContact CA-O 3.28Å; P1288-I1333 WeakPolarHBondContact CB-O 3.33Å; V1289-I1333 HydrophobicContact CB-CB 4.11Å; V1289-I1333 HydrophobicContact CB-CD1 4.48Å; V1289-I1333 HydrophobicContact CB-CG1 4.38Å; V1289-I1333 HydrophobicContact CG2-CB 4.49Å; V1289-I1333 PolarHBondContact N-O 2.96Å; V1289-I1333 PolarHBondContact O-N 3.01Å; R1319-I1333 HydrophobicContact CG-CG2 4.32Å; R1319-I1333 VanDerWaalsContact NH1-CG2 3.29Å; R1319-I1333 CarbonylContact O-C 3.55Å; R1319-I1333 VanDerWaalsContact O-CA 3.27Å; R1319-I1333 WeakPolarHBondContact O-CA 3.38Å; V1320-I1333 HydrophobicContact CG1-CG1 4.33Å; V1320-I1333 HydrophobicContact CG2-CG1 4.19Å; V1320-I1333 HydrophobicContact CG2-CG2 4.29Å; F1331-I1333 HydrophobicContact CE1-CD1 3.73Å; F1331-I1333 HydrophobicContact CE1-CG1 3.6Å; F1331-I1333 HydrophobicContact CZ-CD1 3.91Å; F1331-I1333 HydrophobicContact CZ-CG1 3.89Å; I1333-Y1335 VanDerWaalsContact C-N 3.27Å; I1333-Y1335 VanDerWaalsContact CG2-O 3.31Å; I1333-Y1335 WeakPolarHBondContact CG2-O 3.41Å; I1333-Y1335 PolarHBondContact O-N 3.09Å; I1333-D1340 HydrophobicContact CD1-CB 4.26Å; I1333-L1361 HydrophobicContact CD1-CD2 3.55Å; I1333-L1361 VanDerWaalsContact CD1-CD2 3.5Å |
| 1334 | A | 81.5 | Confident | 86.3 | Confident | 60.8 Ų | 60.8 | 48.1 Ų | 48.1 | 50% | 0.502 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -63.3 | -30.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P1288 R1319 | P1288-A1334 WeakPolarHBondContact CB-O 3.48Å; P1288-A1334 WeakPolarHBondContact CG-O 3.39Å; R1319-A1334 HydrophobicContact CG-CB 4.41Å; R1319-A1334 PolarHBondContact O-N 2.99Å |
| 1335 | Y | 85.6 | Confident | 86.8 | Confident | 106.4 Ų | 106.4 | 47.7 Ų | 47.7 | 42% | 0.417 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -157.1 | 125.6 | 169.7 | 49.5 | -83.2 | 0 | 0 | 0 | 109.9 | R1319 I1333 L1337 | R1319-Y1335 VanDerWaalsContact CD-CD2 3.42Å; R1319-Y1335 VanDerWaalsContact CD-O 3.31Å; R1319-Y1335 WeakPolarHBondContact CD-O 3.38Å; R1319-Y1335 HydrophobicContact CG-CD1 4.09Å; R1319-Y1335 HydrophobicContact CG-CD2 4.34Å; R1319-Y1335 HydrophobicContact CG-CE1 3.85Å; R1319-Y1335 HydrophobicContact CG-CE2 4.14Å; R1319-Y1335 HydrophobicContact CG-CG 4.31Å; R1319-Y1335 PolarHBondContact NH1-O 2.96Å; R1319-Y1335 VanDerWaalsContact NH1-O 3.13Å; I1333-Y1335 VanDerWaalsContact C-N 3.27Å; I1333-Y1335 VanDerWaalsContact CG2-O 3.31Å; I1333-Y1335 WeakPolarHBondContact CG2-O 3.41Å; I1333-Y1335 PolarHBondContact O-N 3.09Å; Y1335-L1337 HydrophobicContact CD2-CD1 4.25Å; Y1335-L1337 HydrophobicContact CD2-CD2 4.27Å; Y1335-L1337 HydrophobicContact CD2-CG 4.42Å; Y1335-L1337 HydrophobicContact CE2-CD1 4.31Å |
| 1336 | C | 85.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -81.3 | 136.8 | -175.7 | -165.9 | 0 | 0 | 0 | 0 | 111.6 | S1283 E1285 G1286 Q1287 V1289 D1340 C1363 | S1283-C1336 WeakPolarHBondContact OG-CB 3.17Å; E1285-C1336 CarbonylContact C-O 3.55Å; E1285-C1336 WeakPolarHBondContact CA-O 3.37Å; G1286-C1336 PolarHBondContact N-O 3.08Å; Q1287-C1336 VanDerWaalsContact O-CB 3.27Å; Q1287-C1336 WeakPolarHBondContact O-CB 3.3Å; Q1287-C1336 PolarHBondContact O-N 2.99Å; V1289-C1336 HydrophobicContact CG2-CB 4.04Å; C1336-D1340 VanDerWaalsContact CA-OD2 3.29Å; C1336-D1340 WeakPolarHBondContact CA-OD2 3.28Å; C1336-D1340 PolarHBondContact SG-OD2 3.03Å; C1336-C1363 VanDerWaalsContact SG-SG 3.64Å | ||
| 1337 | L | 85.3 | Confident | 88.2 | Confident | 37.4 Ų | 37.4 | 39.7 Ų | 39.7 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | trans | -120.2 | 158.7 | 178.5 | -63.5 | 173.9 | 0 | 0 | 0 | 110.1 | E1285 Y1335 E1339 D1340 C1363 | E1285-L1337 HydrophobicContact CG-CD2 4.24Å; Y1335-L1337 HydrophobicContact CD2-CD1 4.25Å; Y1335-L1337 HydrophobicContact CD2-CD2 4.27Å; Y1335-L1337 HydrophobicContact CD2-CG 4.42Å; Y1335-L1337 HydrophobicContact CE2-CD1 4.31Å; L1337-E1339 HydrophobicContact CB-CG 3.82Å; L1337-E1339 HydrophobicContact CD1-CG 4.31Å; L1337-E1339 VanDerWaalsContact CD1-OE1 3.28Å; L1337-E1339 WeakPolarHBondContact CD1-OE1 3.4Å; L1337-E1339 PolarHBondContact O-N 2.98Å; L1337-E1339 VanDerWaalsContact O-N 3.08Å; L1337-D1340 PolarHBondContact N-OD2 2.83Å; L1337-D1340 WeakPolarHBondContact O-CB 3.44Å; L1337-D1340 PolarHBondContact O-N 3.01Å; L1337-C1363 VanDerWaalsContact C-SG 3.52Å; L1337-C1363 VanDerWaalsContact O-CB 3.31Å; L1337-C1363 WeakPolarHBondContact O-CB 3.35Å; L1337-C1363 PolarHBondContact O-SG 2.96Å; L1337-C1363 VanDerWaalsContact O-SG 3.34Å | ||
| 1338 | P | 83.2 | Confident | 88.7 | Confident | 49.4 Ų | 49.4 | 39.2 Ų | 39.2 | 32% | 0.321 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -58.2 | -23.5 | 178.6 | -25.9 | 36.2 | 0 | 0 | 0 | 114.3 | E1285 D1340 Q1341 A1365 | E1285-P1338 HydrophobicContact CG-CG 4.38Å; P1338-D1340 VanDerWaalsContact C-N 3.34Å; P1338-Q1341 VanDerWaalsContact O-CB 3.27Å; P1338-Q1341 WeakPolarHBondContact O-CB 3.37Å; P1338-Q1341 PolarHBondContact O-N 2.95Å; P1338-A1365 HydrophobicContact CB-CB 4.14Å; P1338-A1365 HydrophobicContact CG-CB 3.86Å |
| 1339 | E | 84.9 | Confident | 88.8 | Confident | 114.6 Ų | 114.6 | 38.4 Ų | 38.4 | 54% | 0.536 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -77.4 | -17.4 | 175.7 | 54.5 | -170.8 | -154.1 | 0 | 0 | 114.5 | H1309 R1319 L1337 Q1341 | H1309-E1339 PolarHBondContact CE1-O 3.48Å; R1319-E1339 IonicContact NH2-OE1 2.72Å; R1319-E1339 PolarHBondContact NH2-OE1 3.5Å; L1337-E1339 HydrophobicContact CB-CG 3.82Å; L1337-E1339 HydrophobicContact CD1-CG 4.31Å; L1337-E1339 VanDerWaalsContact CD1-OE1 3.28Å; L1337-E1339 WeakPolarHBondContact CD1-OE1 3.4Å; L1337-E1339 PolarHBondContact O-N 2.98Å; L1337-E1339 VanDerWaalsContact O-N 3.08Å; E1339-Q1341 VanDerWaalsContact C-N 3.28Å; E1339-Q1341 PolarHBondContact O-N 2.97Å |
| 1340 | D | 87.7 | Confident | 88.6 | Confident | 8.6 Ų | 8.6 | 38.9 Ų | 38.9 | 5% | 0.046 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -74.5 | -15.7 | 172.4 | -60 | -43.2 | 0 | 0 | 0 | 112.2 | H1309 R1319 I1333 C1336 L1337 P1338 G1342 Y1344 L1361 | H1309-D1340 PolarHBondContact NE2-O 3.08Å; R1319-D1340 IonicContact CZ-OD1 3.13Å; R1319-D1340 VanDerWaalsContact CZ-OD1 3.27Å; R1319-D1340 IonicContact CZ-OD2 3.18Å; R1319-D1340 VanDerWaalsContact NH1-CG 3.28Å; R1319-D1340 IonicContact NH1-OD1 3.33Å; R1319-D1340 PolarHBondContact NH1-OD1 3.06Å; R1319-D1340 VanDerWaalsContact NH1-OD1 3.11Å; R1319-D1340 IonicContact NH1-OD2 3.26Å; R1319-D1340 PolarHBondContact NH1-OD2 3.04Å; R1319-D1340 IonicContact NH2-OD1 3.28Å; R1319-D1340 PolarHBondContact NH2-OD1 3.07Å; R1319-D1340 IonicContact NH2-OD2 3.3Å; R1319-D1340 PolarHBondContact NH2-OD2 2.77Å; I1333-D1340 HydrophobicContact CD1-CB 4.26Å; C1336-D1340 VanDerWaalsContact CA-OD2 3.29Å; C1336-D1340 WeakPolarHBondContact CA-OD2 3.28Å; C1336-D1340 PolarHBondContact SG-OD2 3.03Å; L1337-D1340 PolarHBondContact N-OD2 2.83Å; L1337-D1340 WeakPolarHBondContact O-CB 3.44Å; L1337-D1340 PolarHBondContact O-N 3.01Å; P1338-D1340 VanDerWaalsContact C-N 3.34Å; D1340-G1342 PolarHBondContact O-N 3.08Å; D1340-Y1344 VanDerWaalsContact O-CE2 3.29Å; D1340-Y1344 WeakPolarHBondContact O-CE2 3.37Å; D1340-Y1344 PolarHBondContact O-OH 3.08Å; D1340-Y1344 VanDerWaalsContact O-OH 3.07Å; D1340-L1361 HydrophobicContact CB-CD2 3.86Å |
| 1341 | Q | 88.5 | Confident | 88.2 | Confident | 101.6 Ų | 101.6 | 42.1 Ų | 42.1 | 48% | 0.475 | 23% | 0.229 | S | C | . | . | trans | -55 | 127.6 | 178.7 | -179.8 | 174.1 | 5.6 | 0 | 0 | 110.6 | H1309 N1310 P1338 E1339 L1361 N1362 C1363 | H1309-Q1341 PolarHBondContact NE2-O 2.92Å; N1310-Q1341 PolarHBondContact ND2-O 3.19Å; P1338-Q1341 VanDerWaalsContact O-CB 3.27Å; P1338-Q1341 WeakPolarHBondContact O-CB 3.37Å; P1338-Q1341 PolarHBondContact O-N 2.95Å; E1339-Q1341 VanDerWaalsContact C-N 3.28Å; E1339-Q1341 PolarHBondContact O-N 2.97Å; Q1341-L1361 VanDerWaalsContact CA-O 3.31Å; Q1341-L1361 WeakPolarHBondContact CA-O 3.33Å; Q1341-L1361 WeakPolarHBondContact CG-O 3.41Å; Q1341-N1362 PolarHBondContact NE2-OD1 2.97Å; Q1341-C1363 HydrophobicContact CB-CB 4.41Å | ||
| 1342 | G | 88.6 | Confident | 87.7 | Confident | 12.8 Ų | 12.8 | 44.9 Ų | 44.9 | 13% | 0.132 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.1 | 177 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N1310 D1340 S1360 L1361 | N1310-G1342 WeakPolarHBondContact OD1-CA 3.33Å; D1340-G1342 PolarHBondContact O-N 3.08Å; G1342-S1360 WeakPolarHBondContact O-CA 3.31Å; G1342-L1361 PolarHBondContact N-O 2.95Å; G1342-L1361 VanDerWaalsContact N-O 3.11Å; G1342-L1361 PolarHBondContact O-N 2.98Å |
| 1343 | S | 91.2 | Very high | 87.5 | Confident | 53.2 Ų | 53.2 | 44.5 Ų | 44.5 | 37% | 0.372 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 119.5 | 169.9 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | N1310 F1359 | N1310-S1343 PolarHBondContact N-O 3.15Å; N1310-S1343 PolarHBondContact OD1-N 2.94Å; S1343-F1359 CarbonylContact C-O 3.55Å; S1343-F1359 VanDerWaalsContact CA-O 3.3Å; S1343-F1359 WeakPolarHBondContact CA-O 3.42Å; S1343-F1359 PolarHBondContact OG-O 2.96Å |
| 1344 | Y | 92.5 | Very high | 87.5 | Confident | 2.6 Ų | 2.6 | 49.8 Ų | 49.8 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 139.6 | 171 | -70.5 | -95.4 | 0 | 0 | 0 | 109.3 | S1308 H1309 L1314 F1331 D1340 S1358 F1359 L1361 | S1308-Y1344 CarbonylContact O-C 3.57Å; S1308-Y1344 WeakPolarHBondContact O-CA 3.39Å; H1309-Y1344 HydrophobicContact CB-CD1 4.13Å; H1309-Y1344 HydrophobicContact CB-CE1 3.95Å; H1309-Y1344 AromaticContact CD2-CD1 3.89Å; H1309-Y1344 AromaticContact CD2-CD2 3.81Å; H1309-Y1344 AromaticContact CD2-CE1 3.43Å; H1309-Y1344 VanDerWaalsContact CD2-CE1 3.46Å; H1309-Y1344 WeakPolarHBondContact CD2-CE1 3.39Å; H1309-Y1344 AromaticContact CD2-CE2 3.39Å; H1309-Y1344 VanDerWaalsContact CD2-CE2 3.42Å; H1309-Y1344 WeakPolarHBondContact CD2-CE2 3.31Å; H1309-Y1344 AromaticContact CD2-CG 3.95Å; H1309-Y1344 AromaticContact CD2-CZ 3.17Å; H1309-Y1344 PolarHBondContact CD2-OH 2.88Å; H1309-Y1344 AromaticContact CG-CE1 3.91Å; H1309-Y1344 AromaticContact CG-CZ 3.96Å; H1309-Y1344 AromaticContact NE2-CE2 3.67Å; H1309-Y1344 AromaticContact NE2-CZ 3.5Å; H1309-Y1344 PolarHBondContact NE2-OH 2.98Å; L1314-Y1344 HydrophobicContact CD1-CD1 4.28Å; L1314-Y1344 HydrophobicContact CD1-CE1 3.8Å; F1331-Y1344 HydrophobicContact CE1-CD1 4.46Å; F1331-Y1344 HydrophobicContact CE1-CE1 4.36Å; F1331-Y1344 AromaticContact CE2-CD1 3.65Å; F1331-Y1344 HydrophobicContact CE2-CD1 3.65Å; F1331-Y1344 AromaticContact CE2-CE1 3.71Å; F1331-Y1344 HydrophobicContact CE2-CE1 3.71Å; F1331-Y1344 HydrophobicContact CE2-CG 4.45Å; F1331-Y1344 AromaticContact CZ-CD1 3.57Å; F1331-Y1344 HydrophobicContact CZ-CD1 3.57Å; F1331-Y1344 AromaticContact CZ-CE1 3.32Å; F1331-Y1344 HydrophobicContact CZ-CE1 3.32Å; F1331-Y1344 HydrophobicContact CZ-CE2 4.42Å; F1331-Y1344 HydrophobicContact CZ-CG 4.25Å; F1331-Y1344 AromaticContact CZ-CZ 3.82Å; D1340-Y1344 VanDerWaalsContact O-CE2 3.29Å; D1340-Y1344 WeakPolarHBondContact O-CE2 3.37Å; D1340-Y1344 PolarHBondContact O-OH 3.08Å; D1340-Y1344 VanDerWaalsContact O-OH 3.07Å; Y1344-S1358 CarbonylContact O-C 3.52Å; Y1344-S1358 WeakPolarHBondContact O-CA 3.33Å; Y1344-S1358 WeakPolarHBondContact O-CB 3.38Å; Y1344-F1359 HydrophobicContact CD1-CZ 4.31Å; Y1344-F1359 HydrophobicContact CD2-CD2 4.18Å; Y1344-F1359 AromaticContact CD2-CE2 3.47Å; Y1344-F1359 HydrophobicContact CD2-CE2 3.47Å; Y1344-F1359 VanDerWaalsContact CD2-CE2 3.45Å; Y1344-F1359 AromaticContact CD2-CZ 3.86Å; Y1344-F1359 HydrophobicContact CD2-CZ 3.93Å; Y1344-F1359 HydrophobicContact CE2-CE2 4.31Å; Y1344-F1359 HydrophobicContact CG-CD2 4.47Å; Y1344-F1359 HydrophobicContact CG-CE1 4.36Å; Y1344-F1359 AromaticContact CG-CE2 3.67Å; Y1344-F1359 HydrophobicContact CG-CE2 3.67Å; Y1344-F1359 AromaticContact CG-CZ 3.62Å; Y1344-F1359 HydrophobicContact CG-CZ 3.62Å; Y1344-F1359 PolarHBondContact N-O 2.97Å; Y1344-F1359 PolarHBondContact O-N 3.02Å; Y1344-F1359 VanDerWaalsContact O-O 3.12Å; Y1344-L1361 HydrophobicContact CD2-CB 4.02Å; Y1344-L1361 HydrophobicContact CE2-CB 3.71Å; Y1344-L1361 HydrophobicContact CE2-CD2 3.81Å; Y1344-L1361 HydrophobicContact CE2-CG 4.42Å |
| 1345 | Q | 92.7 | Very high | 88 | Confident | 78 Ų | 78 | 47.7 Ų | 47.7 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 121.4 | -179 | 174.5 | 173.5 | 60.1 | 0 | 0 | 109.8 | S1308 V1356 A1357 S1358 | S1308-Q1345 PolarHBondContact N-O 3.24Å; S1308-Q1345 PolarHBondContact O-N 2.87Å; S1308-Q1345 WeakPolarHBondContact OG-CB 3.31Å; S1308-Q1345 PolarHBondContact OG-O 2.94Å; S1308-Q1345 VanDerWaalsContact OG-O 3.05Å; Q1345-V1356 VanDerWaalsContact CD-CG1 3.49Å; Q1345-V1356 HydrophobicContact CG-CG1 3.52Å; Q1345-V1356 VanDerWaalsContact CG-CG1 3.47Å; Q1345-V1356 VanDerWaalsContact NE2-CG1 3.29Å; Q1345-A1357 WeakPolarHBondContact CA-O 3.36Å; Q1345-S1358 WeakPolarHBondContact CB-OG 3.37Å; Q1345-S1358 WeakPolarHBondContact CG-OG 3.41Å; Q1345-S1358 PolarHBondContact NE2-OG 3.26Å |
| 1346 | C | 92.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 116.2 | 175.5 | 176.9 | 0 | 0 | 0 | 0 | 108.7 | F1273 F1277 V1305 E1306 W1307 V1356 A1357 | F1273-C1346 HydrophobicContact CZ-CB 4.49Å; F1277-C1346 HydrophobicContact CE2-CB 3.65Å; F1277-C1346 HydrophobicContact CZ-CB 4.12Å; V1305-C1346 VanDerWaalsContact CG1-SG 3.56Å; E1306-C1346 CarbonylContact O-C 3.18Å; E1306-C1346 WeakPolarHBondContact O-CA 3.4Å; W1307-C1346 HydrophobicContact CD2-CB 4.07Å; W1307-C1346 HydrophobicContact CE3-CB 3.92Å; W1307-C1346 HydrophobicContact CH2-CB 3.75Å; W1307-C1346 HydrophobicContact CZ2-CB 3.89Å; W1307-C1346 HydrophobicContact CZ3-CB 3.75Å; C1346-V1356 WeakPolarHBondContact O-CA 3.25Å; C1346-A1357 PolarHBondContact N-O 3.05Å; C1346-A1357 PolarHBondContact O-N 3.03Å |
| 1347 | R | 91.9 | Very high | 88.6 | Confident | 82 Ų | 82 | 46.1 Ų | 46.1 | 31% | 0.309 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 115.5 | 177.9 | 175.7 | 176.8 | -179.6 | -108.1 | -2.6 | 108.9 | V1305 E1306 V1349 E1354 A1355 V1356 | V1305-R1347 CarbonylContact C-O 3.51Å; V1305-R1347 WeakPolarHBondContact CA-O 3.21Å; E1306-R1347 HydrophobicContact CB-CB 4.3Å; E1306-R1347 PolarHBondContact N-O 3.12Å; E1306-R1347 PolarHBondContact O-N 2.98Å; E1306-R1347 IonicContact OE1-NH1 3.46Å; E1306-R1347 PolarHBondContact OE1-NH1 2.91Å; E1306-R1347 IonicContact OE2-CZ 2.78Å; E1306-R1347 IonicContact OE2-NH1 3.72Å; E1306-R1347 PolarHBondContact OE2-NH1 2.9Å; R1347-V1349 HydrophobicContact CG-CG2 3.87Å; R1347-V1349 VanDerWaalsContact CZ-CG2 3.45Å; R1347-E1354 IonicContact CZ-OE2 3.4Å; R1347-E1354 VanDerWaalsContact CZ-OE2 3.25Å; R1347-E1354 IonicContact NE-OE2 3.18Å; R1347-E1354 PolarHBondContact NE-OE2 2.98Å; R1347-E1354 IonicContact NH2-OE2 3.05Å; R1347-E1354 PolarHBondContact NH2-OE2 3Å; R1347-A1355 CarbonylContact C-O 3.43Å; R1347-A1355 WeakPolarHBondContact CA-O 3.34Å; R1347-V1356 HydrophobicContact CB-CG2 4.36Å; R1347-V1356 HydrophobicContact CG-CG2 4.21Å |
| 1348 | V | 91.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 126.3 | 174.5 | -171.8 | 0 | 0 | 0 | 0 | 108.5 | P1271 F1273 V1295 M1303 R1304 V1305 I1329 E1354 A1355 | P1271-V1348 HydrophobicContact CB-CB 4.33Å; P1271-V1348 HydrophobicContact CB-CG1 3.9Å; P1271-V1348 HydrophobicContact CG-CB 4.43Å; P1271-V1348 HydrophobicContact CG-CG1 4.3Å; P1271-V1348 VanDerWaalsContact CG-O 3.26Å; P1271-V1348 WeakPolarHBondContact CG-O 3.36Å; F1273-V1348 HydrophobicContact CE1-CG2 4.23Å; F1273-V1348 HydrophobicContact CE2-CG2 4.19Å; F1273-V1348 HydrophobicContact CZ-CB 4.47Å; F1273-V1348 HydrophobicContact CZ-CG2 3.59Å; V1295-V1348 HydrophobicContact CG1-CG1 4.36Å; V1295-V1348 HydrophobicContact CG2-CB 4.39Å; V1295-V1348 HydrophobicContact CG2-CG1 4.1Å; V1295-V1348 HydrophobicContact CG2-CG2 4.36Å; M1303-V1348 HydrophobicContact CG-CG1 3.46Å; M1303-V1348 VanDerWaalsContact CG-CG1 3.43Å; M1303-V1348 HydrophobicContact SD-CG1 3.69Å; R1304-V1348 CarbonylContact O-C 3.54Å; R1304-V1348 VanDerWaalsContact O-CA 3.31Å; R1304-V1348 WeakPolarHBondContact O-CA 3.42Å; V1305-V1348 HydrophobicContact CG1-CG2 4.47Å; V1305-V1348 HydrophobicContact CG2-CG1 4.4Å; V1305-V1348 HydrophobicContact CG2-CG2 4.29Å; I1329-V1348 HydrophobicContact CD1-CG2 3.52Å; I1329-V1348 VanDerWaalsContact CD1-CG2 3.48Å; V1348-E1354 CarbonylContact O-C 3.5Å; V1348-E1354 VanDerWaalsContact O-CA 3.26Å; V1348-E1354 WeakPolarHBondContact O-CA 3.32Å; V1348-A1355 PolarHBondContact N-O 3.04Å; V1348-A1355 PolarHBondContact O-N 3.08Å |
| 1349 | V | 90 | Very high | 89.3 | Confident | 32.2 Ų | 32.2 | 44.7 Ų | 44.7 | 20% | 0.195 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 132.6 | -178 | -172.1 | 0 | 0 | 0 | 0 | 109.1 | M1303 R1304 R1347 E1354 | M1303-V1349 CarbonylContact C-O 3.55Å; M1303-V1349 VanDerWaalsContact CA-O 3.28Å; M1303-V1349 WeakPolarHBondContact CA-O 3.38Å; R1304-V1349 PolarHBondContact N-O 3.06Å; R1304-V1349 PolarHBondContact O-N 3.02Å; R1347-V1349 HydrophobicContact CG-CG2 3.87Å; R1347-V1349 VanDerWaalsContact CZ-CG2 3.45Å; V1349-E1354 HydrophobicContact CG2-CB 4.2Å |
| 1350 | N | 86.3 | Confident | 89.6 | Confident | 11.4 Ų | 11.4 | 41.6 Ų | 41.6 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | -175.2 | 166.7 | 80.5 | -1.2 | 0 | 0 | 0 | 110.9 | P1269 P1271 D1300 S1302 M1303 S1352 G1353 | P1269-N1350 PolarHBondContact O-ND2 3.13Å; P1271-N1350 VanDerWaalsContact CD-OD1 3.3Å; P1271-N1350 WeakPolarHBondContact CD-OD1 3.23Å; D1300-N1350 VanDerWaalsContact OD2-CB 3.26Å; D1300-N1350 WeakPolarHBondContact OD2-CB 3.31Å; D1300-N1350 VanDerWaalsContact OD2-CG 3.29Å; D1300-N1350 PolarHBondContact OD2-ND2 2.98Å; S1302-N1350 WeakPolarHBondContact OG-CB 3.34Å; M1303-N1350 HydrophobicContact CB-CB 4.4Å; M1303-N1350 HydrophobicContact CG-CB 4.45Å; N1350-S1352 PolarHBondContact O-N 3.14Å; N1350-S1352 VanDerWaalsContact O-N 3.14Å; N1350-S1352 WeakPolarHBondContact OD1-CA 3.33Å; N1350-S1352 PolarHBondContact OD1-N 2.9Å; N1350-G1353 PolarHBondContact N-O 3.01Å; N1350-G1353 PolarHBondContact O-N 3.36Å; N1350-G1353 VanDerWaalsContact O-O 3.12Å; N1350-G1353 PolarHBondContact OD1-N 3.18Å; N1350-G1353 PolarHBondContact OD1-O 3Å |
| 1351 | S | 81.6 | Confident | 89.6 | Confident | 92.4 Ų | 92.4 | 41.3 Ų | 41.3 | 65% | 0.646 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -17.4 | 179.8 | 53.2 | 0 | 0 | 0 | 0 | 115.1 | S1302 | S1302-S1351 WeakPolarHBondContact OG-CB 3.26Å; S1302-S1351 PolarHBondContact OG-N 2.85Å; S1302-S1351 PolarHBondContact OG-OG 3.22Å |
| 1352 | S | 80.6 | Confident | 89.6 | Confident | 58.8 Ų | 58.8 | 39.4 Ų | 39.4 | 41% | 0.411 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -9.2 | -175.7 | -69.1 | 0 | 0 | 0 | 0 | 114.6 | F1268 N1350 | F1268-S1352 WeakPolarHBondContact O-CB 3.24Å; F1268-S1352 PolarHBondContact O-OG 3Å; N1350-S1352 PolarHBondContact O-N 3.14Å; N1350-S1352 VanDerWaalsContact O-N 3.14Å; N1350-S1352 WeakPolarHBondContact OD1-CA 3.33Å; N1350-S1352 PolarHBondContact OD1-N 2.9Å |
| 1353 | G | 85.1 | Confident | 89.4 | Confident | 29.4 Ų | 29.4 | 39.1 Ų | 39.1 | 30% | 0.303 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.7 | -170.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P1271 N1350 | P1271-G1353 VanDerWaalsContact CD-C 3.44Å; P1271-G1353 VanDerWaalsContact CD-O 3.28Å; P1271-G1353 WeakPolarHBondContact CD-O 3.32Å; N1350-G1353 PolarHBondContact N-O 3.01Å; N1350-G1353 PolarHBondContact O-N 3.36Å; N1350-G1353 VanDerWaalsContact O-O 3.12Å; N1350-G1353 PolarHBondContact OD1-N 3.18Å; N1350-G1353 PolarHBondContact OD1-O 3Å |
| 1354 | E | 91.4 | Very high | 88.7 | Confident | 114.8 Ų | 114.8 | 39.2 Ų | 39.2 | 54% | 0.536 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 151.4 | 173.8 | 67.2 | -178.6 | 177.3 | 0 | 0 | 111 | R1347 V1348 V1349 | R1347-E1354 IonicContact CZ-OE2 3.4Å; R1347-E1354 VanDerWaalsContact CZ-OE2 3.25Å; R1347-E1354 IonicContact NE-OE2 3.18Å; R1347-E1354 PolarHBondContact NE-OE2 2.98Å; R1347-E1354 IonicContact NH2-OE2 3.05Å; R1347-E1354 PolarHBondContact NH2-OE2 3Å; V1348-E1354 CarbonylContact O-C 3.5Å; V1348-E1354 VanDerWaalsContact O-CA 3.26Å; V1348-E1354 WeakPolarHBondContact O-CA 3.32Å; V1349-E1354 HydrophobicContact CG2-CB 4.2Å |
| 1355 | A | 91.1 | Very high | 87.5 | Confident | 15.4 Ų | 15.4 | 41.9 Ų | 41.9 | 13% | 0.127 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 146.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | P1271 F1273 R1347 V1348 | P1271-A1355 HydrophobicContact CB-CB 4.28Å; P1271-A1355 HydrophobicContact CG-CB 3.99Å; P1271-A1355 VanDerWaalsContact O-CB 3.28Å; P1271-A1355 WeakPolarHBondContact O-CB 3.37Å; F1273-A1355 HydrophobicContact CD2-CB 3.97Å; F1273-A1355 HydrophobicContact CE2-CB 3.96Å; R1347-A1355 CarbonylContact C-O 3.43Å; R1347-A1355 WeakPolarHBondContact CA-O 3.34Å; V1348-A1355 PolarHBondContact N-O 3.04Å; V1348-A1355 PolarHBondContact O-N 3.08Å |
| 1356 | V | 92.4 | Very high | 86.1 | Confident | 68.4 Ų | 68.4 | 45.4 Ų | 45.4 | 42% | 0.415 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 127 | -176.5 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | Q1345 C1346 R1347 | Q1345-V1356 VanDerWaalsContact CD-CG1 3.49Å; Q1345-V1356 HydrophobicContact CG-CG1 3.52Å; Q1345-V1356 VanDerWaalsContact CG-CG1 3.47Å; Q1345-V1356 VanDerWaalsContact NE2-CG1 3.29Å; C1346-V1356 WeakPolarHBondContact O-CA 3.25Å; R1347-V1356 HydrophobicContact CB-CG2 4.36Å; R1347-V1356 HydrophobicContact CG-CG2 4.21Å |
| 1357 | A | 91.5 | Very high | 84.3 | Confident | 5 Ų | 5 | 51 Ų | 51 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 146.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | F1273 T1276 F1277 Q1345 C1346 | F1273-A1357 HydrophobicContact CD1-CB 4.04Å; F1273-A1357 HydrophobicContact CD2-CB 3.8Å; F1273-A1357 HydrophobicContact CE1-CB 3.73Å; F1273-A1357 HydrophobicContact CE2-CB 3.49Å; F1273-A1357 VanDerWaalsContact CE2-CB 3.48Å; F1273-A1357 VanDerWaalsContact CE2-N 3.3Å; F1273-A1357 HydrophobicContact CG-CB 4.06Å; F1273-A1357 HydrophobicContact CZ-CB 3.43Å; F1273-A1357 VanDerWaalsContact CZ-CB 3.42Å; T1276-A1357 HydrophobicContact CG2-CB 4.35Å; T1276-A1357 VanDerWaalsContact OG1-CB 3.25Å; T1276-A1357 WeakPolarHBondContact OG1-CB 3.34Å; F1277-A1357 HydrophobicContact CD2-CB 3.82Å; F1277-A1357 HydrophobicContact CE2-CB 3.86Å; Q1345-A1357 WeakPolarHBondContact CA-O 3.36Å; C1346-A1357 PolarHBondContact N-O 3.05Å; C1346-A1357 PolarHBondContact O-N 3.03Å |
| 1358 | S | 91.5 | Very high | 82.2 | Confident | 54.4 Ų | 54.4 | 56.1 Ų | 56.1 | 38% | 0.38 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 147 | -178.7 | -37.9 | 0 | 0 | 0 | 0 | 110.8 | Y1344 Q1345 | Y1344-S1358 CarbonylContact O-C 3.52Å; Y1344-S1358 WeakPolarHBondContact O-CA 3.33Å; Y1344-S1358 WeakPolarHBondContact O-CB 3.38Å; Q1345-S1358 WeakPolarHBondContact CB-OG 3.37Å; Q1345-S1358 WeakPolarHBondContact CG-OG 3.41Å; Q1345-S1358 PolarHBondContact NE2-OG 3.26Å |
| 1359 | F | 91.9 | Very high | 79.8 | Confident | 2.4 Ų | 2.4 | 63.6 Ų | 63.6 | 1% | 0.011 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 161.2 | 171.4 | 63.7 | -93.4 | 0 | 0 | 0 | 110.7 | F1277 R1278 E1279 L1291 W1307 F1331 S1343 Y1344 L1361 | F1277-F1359 HydrophobicContact CB-CB 4.23Å; F1277-F1359 HydrophobicContact CB-CD1 3.66Å; F1277-F1359 HydrophobicContact CB-CE1 4.35Å; F1277-F1359 HydrophobicContact CB-CG 4.27Å; F1277-F1359 HydrophobicContact CD1-CD1 4.4Å; F1277-F1359 HydrophobicContact CD1-CE1 4.35Å; F1277-F1359 AromaticContact CD2-CD1 3.86Å; F1277-F1359 HydrophobicContact CD2-CD1 3.9Å; F1277-F1359 HydrophobicContact CD2-CE1 4.31Å; F1277-F1359 HydrophobicContact CE2-CD1 4.37Å; F1277-F1359 HydrophobicContact CE2-CE1 4.48Å; F1277-F1359 AromaticContact CG-CD1 3.74Å; F1277-F1359 HydrophobicContact CG-CD1 3.74Å; F1277-F1359 AromaticContact CG-CE1 3.98Å; F1277-F1359 HydrophobicContact CG-CE1 4.12Å; R1278-F1359 WeakPolarHBondContact O-CB 3.28Å; E1279-F1359 CarbonylContact O-C 3.52Å; E1279-F1359 VanDerWaalsContact O-CA 3.31Å; E1279-F1359 WeakPolarHBondContact O-CA 3.34Å; L1291-F1359 HydrophobicContact CD1-CD1 4.08Å; L1291-F1359 HydrophobicContact CD1-CD2 3.67Å; L1291-F1359 HydrophobicContact CD1-CE1 3.81Å; L1291-F1359 HydrophobicContact CD1-CE2 3.4Å; L1291-F1359 VanDerWaalsContact CD1-CE2 3.44Å; L1291-F1359 HydrophobicContact CD1-CG 4.01Å; L1291-F1359 HydrophobicContact CD1-CZ 3.48Å; L1291-F1359 VanDerWaalsContact CD1-CZ 3.46Å; W1307-F1359 AromaticContact CH2-CE1 3.89Å; W1307-F1359 HydrophobicContact CH2-CE1 3.94Å; W1307-F1359 AromaticContact CZ3-CE1 3.73Å; W1307-F1359 HydrophobicContact CZ3-CE1 3.73Å; W1307-F1359 HydrophobicContact CZ3-CZ 4.31Å; F1331-F1359 HydrophobicContact CD1-CE1 4.35Å; F1331-F1359 HydrophobicContact CD1-CE2 4.4Å; F1331-F1359 AromaticContact CD1-CZ 3.57Å; F1331-F1359 HydrophobicContact CD1-CZ 3.57Å; F1331-F1359 HydrophobicContact CD2-CZ 4.39Å; F1331-F1359 HydrophobicContact CE1-CE2 4.23Å; F1331-F1359 AromaticContact CE1-CZ 3.68Å; F1331-F1359 HydrophobicContact CE1-CZ 3.68Å; F1331-F1359 HydrophobicContact CE2-CZ 4.46Å; F1331-F1359 HydrophobicContact CG-CE1 4.38Å; F1331-F1359 AromaticContact CG-CZ 3.95Å; F1331-F1359 HydrophobicContact CG-CZ 3.96Å; F1331-F1359 HydrophobicContact CZ-CZ 4.18Å; S1343-F1359 CarbonylContact C-O 3.55Å; S1343-F1359 VanDerWaalsContact CA-O 3.3Å; S1343-F1359 WeakPolarHBondContact CA-O 3.42Å; S1343-F1359 PolarHBondContact OG-O 2.96Å; Y1344-F1359 HydrophobicContact CD1-CZ 4.31Å; Y1344-F1359 HydrophobicContact CD2-CD2 4.18Å; Y1344-F1359 AromaticContact CD2-CE2 3.47Å; Y1344-F1359 HydrophobicContact CD2-CE2 3.47Å; Y1344-F1359 VanDerWaalsContact CD2-CE2 3.45Å; Y1344-F1359 AromaticContact CD2-CZ 3.86Å; Y1344-F1359 HydrophobicContact CD2-CZ 3.93Å; Y1344-F1359 HydrophobicContact CE2-CE2 4.31Å; Y1344-F1359 HydrophobicContact CG-CD2 4.47Å; Y1344-F1359 HydrophobicContact CG-CE1 4.36Å; Y1344-F1359 AromaticContact CG-CE2 3.67Å; Y1344-F1359 HydrophobicContact CG-CE2 3.67Å; Y1344-F1359 AromaticContact CG-CZ 3.62Å; Y1344-F1359 HydrophobicContact CG-CZ 3.62Å; Y1344-F1359 PolarHBondContact N-O 2.97Å; Y1344-F1359 PolarHBondContact O-N 3.02Å; Y1344-F1359 VanDerWaalsContact O-O 3.12Å; F1359-L1361 HydrophobicContact CE2-CB 4.34Å |
| 1360 | S | 90.5 | Very high | 77.4 | Confident | 50.8 Ų | 50.8 | 68.7 Ų | 68.7 | 36% | 0.355 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.8 | 172.2 | -58.1 | 0 | 0 | 0 | 0 | 110 | E1279 T1280 T1281 G1342 | E1279-S1360 PolarHBondContact O-N 2.87Å; T1280-S1360 CarbonylContact C-O 3.45Å; T1280-S1360 VanDerWaalsContact CA-O 3.31Å; T1280-S1360 WeakPolarHBondContact CA-O 3.33Å; T1281-S1360 PolarHBondContact N-O 3.13Å; G1342-S1360 WeakPolarHBondContact O-CA 3.31Å |
| 1361 | L | 89.5 | Confident | 75.1 | Confident | 0.8 Ų | 0.8 | 73.7 Ų | 73.7 | 0% | 0.004 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 122.5 | 172 | -179.7 | 60.6 | 0 | 0 | 0 | 109.1 | T1281 V1289 I1333 D1340 Q1341 G1342 Y1344 F1359 | T1281-L1361 HydrophobicContact CG2-CD1 4.13Å; T1281-L1361 CarbonylContact O-C 3.58Å; T1281-L1361 WeakPolarHBondContact O-CA 3.32Å; T1281-L1361 WeakPolarHBondContact O-CD1 3.4Å; V1289-L1361 HydrophobicContact CG1-CD1 4.31Å; V1289-L1361 HydrophobicContact CG2-CD1 4.09Å; I1333-L1361 HydrophobicContact CD1-CD2 3.55Å; I1333-L1361 VanDerWaalsContact CD1-CD2 3.5Å; D1340-L1361 HydrophobicContact CB-CD2 3.86Å; Q1341-L1361 VanDerWaalsContact CA-O 3.31Å; Q1341-L1361 WeakPolarHBondContact CA-O 3.33Å; Q1341-L1361 WeakPolarHBondContact CG-O 3.41Å; G1342-L1361 PolarHBondContact N-O 2.95Å; G1342-L1361 VanDerWaalsContact N-O 3.11Å; G1342-L1361 PolarHBondContact O-N 2.98Å; Y1344-L1361 HydrophobicContact CD2-CB 4.02Å; Y1344-L1361 HydrophobicContact CE2-CB 3.71Å; Y1344-L1361 HydrophobicContact CE2-CD2 3.81Å; Y1344-L1361 HydrophobicContact CE2-CG 4.42Å; F1359-L1361 HydrophobicContact CE2-CB 4.34Å |
| 1362 | N | 88.2 | Confident | 73.3 | Confident | 62 Ų | 62 | 73.9 Ų | 73.9 | 33% | 0.332 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 113.6 | 172 | -79.1 | -28.2 | 0 | 0 | 0 | 109.3 | T1281 D1282 S1283 Q1341 A1364 | T1281-N1362 PolarHBondContact O-N 2.99Å; D1282-N1362 CarbonylContact C-O 3.57Å; D1282-N1362 WeakPolarHBondContact CA-O 3.14Å; D1282-N1362 VanDerWaalsContact OD1-CB 3.26Å; D1282-N1362 WeakPolarHBondContact OD1-CB 3.31Å; D1282-N1362 PolarHBondContact OD1-ND2 2.85Å; S1283-N1362 PolarHBondContact N-O 3.14Å; S1283-N1362 VanDerWaalsContact O-O 3.11Å; Q1341-N1362 PolarHBondContact NE2-OD1 2.97Å; N1362-A1364 PolarHBondContact O-N 3.18Å |
| 1363 | C | 83.4 | Confident | 71.6 | Confident | 7.2 Ų | 7.2 | 76.2 Ų | 76.2 | 5% | 0.049 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 109.1 | 173.1 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | S1283 C1336 L1337 Q1341 A1365 | S1283-C1363 CarbonylContact O-C 3.52Å; S1283-C1363 WeakPolarHBondContact O-CA 3.31Å; C1336-C1363 VanDerWaalsContact SG-SG 3.64Å; L1337-C1363 VanDerWaalsContact C-SG 3.52Å; L1337-C1363 VanDerWaalsContact O-CB 3.31Å; L1337-C1363 WeakPolarHBondContact O-CB 3.35Å; L1337-C1363 PolarHBondContact O-SG 2.96Å; L1337-C1363 VanDerWaalsContact O-SG 3.34Å; Q1341-C1363 HydrophobicContact CB-CB 4.41Å; C1363-A1365 PolarHBondContact O-N 2.97Å; C1363-A1365 VanDerWaalsContact O-N 3.12Å |
| 1364 | A | 76.9 | Confident | 69.9 | Low | 54.2 Ų | 54.2 | 83.3 Ų | 83.3 | 45% | 0.448 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 103.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | S1283 V1284 E1285 N1362 R1366 | S1283-A1364 PolarHBondContact O-N 3.05Å; V1284-A1364 HydrophobicContact CG2-CB 4.41Å; E1285-A1364 PolarHBondContact N-O 3.17Å; E1285-A1364 VanDerWaalsContact N-O 3.1Å; N1362-A1364 PolarHBondContact O-N 3.18Å; A1364-R1366 PolarHBondContact O-N 2.92Å |
| 1365 | A | 67.9 | Low | 67.7 | Low | 59.4 Ų | 59.4 | 81.8 Ų | 81.8 | 49% | 0.491 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 135.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | E1285 P1338 C1363 | E1285-A1365 VanDerWaalsContact OE2-CA 3.23Å; E1285-A1365 WeakPolarHBondContact OE2-CA 3.34Å; P1338-A1365 HydrophobicContact CB-CB 4.14Å; P1338-A1365 HydrophobicContact CG-CB 3.86Å; C1363-A1365 PolarHBondContact O-N 2.97Å; C1363-A1365 VanDerWaalsContact O-N 3.12Å |
| 1366 | R | 62.2 | Low | 65.8 | Low | 152.8 Ų | 152.8 | 88.4 Ų | 88.4 | 58% | 0.577 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 136.6 | 172.8 | -74.6 | 175.3 | -175.7 | -125.8 | 0 | 108.3 | V1284 E1285 A1364 K1368 | V1284-R1366 HydrophobicContact CG1-CG 4.16Å; E1285-R1366 HydrophobicContact CB-CG 4.21Å; E1285-R1366 PolarHBondContact O-NE 3.03Å; E1285-R1366 VanDerWaalsContact O-NE 3.14Å; E1285-R1366 PolarHBondContact O-NH2 2.91Å; E1285-R1366 PolarHBondContact OE2-N 3.1Å; A1364-R1366 PolarHBondContact O-N 2.92Å; R1366-K1368 PolarHBondContact O-N 2.92Å; R1366-K1368 VanDerWaalsContact O-N 3.12Å |
| 1367 | P | 54.5 | Low | 64 | Low | 117.8 Ų | 117.8 | 87.8 Ų | 87.8 | 77% | 0.765 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 118.7 | -178.7 | 23.7 | -32.5 | 0 | 0 | 0 | 109.3 | I1369 | P1367-I1369 PolarHBondContact O-N 3.08Š|
| 1368 | K | 48.5 | Very low | 62 | Low | 188.8 Ų | 188.8 | 89.1 Ų | 89.1 | 82% | 0.821 | 50% | 0.497 | S | S | * | . | trans | -54.6 | 119.1 | 172.9 | -76.5 | -170.8 | 175.3 | -172.8 | 0 | 108.4 | R1366 L1370 | R1366-K1368 PolarHBondContact O-N 2.92Å; R1366-K1368 VanDerWaalsContact O-N 3.12Å; K1368-L1370 VanDerWaalsContact C-N 3.3Å; K1368-L1370 PolarHBondContact O-N 3.02Å | ||
| 1369 | I | 40.8 | Very low | 60.5 | Low | 157.2 Ų | 157.2 | 90.2 Ų | 90.2 | 81% | 0.806 | 50% | 0.502 | S | S | * | . | trans | -58.5 | 120.7 | 170.8 | -63 | 173.1 | 0 | 0 | 0 | 106.2 | P1367 S1371 | P1367-I1369 PolarHBondContact O-N 3.08Å; I1369-S1371 PolarHBondContact O-N 3.1Å; I1369-S1371 VanDerWaalsContact O-N 3.14Å | ||
| 1370 | L | 39.9 | Very low | 59 | Low | 138.8 Ų | 138.8 | 96.8 Ų | 96.8 | 73% | 0.727 | 53% | 0.533 | S | S | * | . | trans | -62.9 | 104.3 | -179.2 | -81.9 | 159.9 | 0 | 0 | 0 | 109 | K1368 D1372 | K1368-L1370 VanDerWaalsContact C-N 3.3Å; K1368-L1370 PolarHBondContact O-N 3.02Å; L1370-D1372 PolarHBondContact O-N 2.85Å | ||
| 1371 | S | 38.8 | Very low | 57.5 | Low | 116.4 Ų | 116.4 | 101.3 Ų | 101.3 | 81% | 0.814 | 55% | 0.546 | S | S | * | . | trans | -77.1 | 32.9 | -175.4 | 62.2 | 0 | 0 | 0 | 0 | 113.7 | I1369 P1373 | I1369-S1371 PolarHBondContact O-N 3.1Å; I1369-S1371 VanDerWaalsContact O-N 3.14Å; S1371-P1373 WeakPolarHBondContact O-CD 3.22Å | ||
| 1372 | D | 42.5 | Very low | 56.1 | Low | 96.4 Ų | 96.4 | 105.3 Ų | 105.3 | 52% | 0.516 | 57% | 0.566 | S | S | . | * | trans | -131.2 | 99.3 | 176.8 | -165.8 | -3.1 | 0 | 0 | 0 | 110 | L1370 F1374 | L1370-D1372 PolarHBondContact O-N 2.85Å; D1372-F1374 VanDerWaalsContact C-N 3.25Å; D1372-F1374 PolarHBondContact O-N 2.91Å; D1372-F1374 VanDerWaalsContact O-N 3.11Å; D1372-F1374 PolarHBondContact OD1-N 3.08Å; D1372-F1374 VanDerWaalsContact OD1-N 3.08Å | ||
| 1373 | P | 45.7 | Very low | 54.9 | Low | 106.8 Ų | 106.8 | 109.2 Ų | 109.2 | 69% | 0.694 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 5.1 | -176.1 | 26.6 | -27.6 | 0 | 0 | 0 | 113.8 | S1371 | S1371-P1373 WeakPolarHBondContact O-CD 3.22Š|
| 1374 | F | 47.9 | Very low | 54 | Low | 179.8 Ų | 179.8 | 114 Ų | 114 | 79% | 0.789 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 9.6 | -174 | -65.2 | -77.3 | 0 | 0 | 0 | 116.5 | D1372 | D1372-F1374 VanDerWaalsContact C-N 3.25Å; D1372-F1374 PolarHBondContact O-N 2.91Å; D1372-F1374 VanDerWaalsContact O-N 3.11Å; D1372-F1374 PolarHBondContact OD1-N 3.08Å; D1372-F1374 VanDerWaalsContact OD1-N 3.08Å |
| 1375 | N | 45.4 | Very low | 53 | Low | 82.4 Ų | 82.4 | 117.8 Ų | 117.8 | 44% | 0.441 | 62% | 0.62 | S | S | . | * | trans | -97.5 | 117.2 | 176.8 | -167.4 | -29.6 | 0 | 0 | 0 | 112.5 | S1377 S1378 | N1375-S1377 VanDerWaalsContact CG-OG 3.28Å; N1375-S1377 PolarHBondContact O-N 3.06Å; N1375-S1377 VanDerWaalsContact O-N 3.11Å; N1375-S1377 WeakPolarHBondContact OD1-CB 3.09Å; N1375-S1377 PolarHBondContact OD1-N 3.01Å; N1375-S1377 VanDerWaalsContact OD1-N 3.08Å; N1375-S1377 PolarHBondContact OD1-OG 3.08Å; N1375-S1378 WeakPolarHBondContact O-CA 3.31Å; N1375-S1378 VanDerWaalsContact O-CB 3.25Å; N1375-S1378 WeakPolarHBondContact O-CB 3.39Å; N1375-S1378 PolarHBondContact O-N 3Å; N1375-S1378 VanDerWaalsContact O-N 3.09Å; N1375-S1378 PolarHBondContact O-OG 3.02Å | ||
| 1376 | L | 52.2 | Low | 52.3 | Low | 153.6 Ų | 153.6 | 121.8 Ų | 121.8 | 80% | 0.804 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -52.9 | -31.1 | 177.7 | -92.2 | 137.7 | 0 | 0 | 0 | 114.1 | S1378 V1379 | L1376-S1378 VanDerWaalsContact C-N 3.27Å; L1376-S1378 PolarHBondContact O-N 3.1Å; L1376-V1379 PolarHBondContact O-N 2.97Å |
| 1377 | S | 55.3 | Low | 51.6 | Low | 57.8 Ų | 57.8 | 117 Ų | 117 | 40% | 0.404 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -71.4 | -16.9 | 177.7 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | N1375 K1381 | N1375-S1377 VanDerWaalsContact CG-OG 3.28Å; N1375-S1377 PolarHBondContact O-N 3.06Å; N1375-S1377 VanDerWaalsContact O-N 3.11Å; N1375-S1377 WeakPolarHBondContact OD1-CB 3.09Å; N1375-S1377 PolarHBondContact OD1-N 3.01Å; N1375-S1377 VanDerWaalsContact OD1-N 3.08Å; N1375-S1377 PolarHBondContact OD1-OG 3.08Å; S1377-K1381 PolarHBondContact O-N 2.83Å |
| 1378 | S | 49 | Very low | 51 | Low | 31.4 Ų | 31.4 | 117.6 Ų | 117.6 | 22% | 0.22 | 63% | 0.626 | C | S | . | * | H | α-helix | trans | -70.9 | -37.5 | 174.1 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | N1375 L1376 E1380 K1381 I1382 | N1375-S1378 WeakPolarHBondContact O-CA 3.31Å; N1375-S1378 VanDerWaalsContact O-CB 3.25Å; N1375-S1378 WeakPolarHBondContact O-CB 3.39Å; N1375-S1378 PolarHBondContact O-N 3Å; N1375-S1378 VanDerWaalsContact O-N 3.09Å; N1375-S1378 PolarHBondContact O-OG 3.02Å; L1376-S1378 VanDerWaalsContact C-N 3.27Å; L1376-S1378 PolarHBondContact O-N 3.1Å; S1378-E1380 VanDerWaalsContact C-N 3.35Å; S1378-E1380 PolarHBondContact O-N 2.97Å; S1378-K1381 PolarHBondContact O-N 3.16Å; S1378-I1382 WeakPolarHBondContact O-CB 3.39Å; S1378-I1382 WeakPolarHBondContact O-CD1 3.48Å; S1378-I1382 VanDerWaalsContact O-CG1 3.27Å; S1378-I1382 WeakPolarHBondContact O-CG1 3.37Å; S1378-I1382 PolarHBondContact O-N 3.05Å; S1378-I1382 VanDerWaalsContact O-N 3.12Å |
| 1379 | V | 59.1 | Low | 50.7 | Low | 77.4 Ų | 77.4 | 117.3 Ų | 117.3 | 47% | 0.469 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.6 | -35.9 | -178.4 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | L1376 I1382 K1383 | L1376-V1379 PolarHBondContact O-N 2.97Å; V1379-I1382 PolarHBondContact O-N 3.02Å; V1379-K1383 HydrophobicContact CG1-CD 4.46Å; V1379-K1383 WeakPolarHBondContact O-CB 3.35Å; V1379-K1383 WeakPolarHBondContact O-CG 3.44Å; V1379-K1383 PolarHBondContact O-N 3.15Å |
| 1380 | E | 61.6 | Low | 50.7 | Low | 141.6 Ų | 141.6 | 116.4 Ų | 116.4 | 66% | 0.662 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.2 | -37.1 | 175.7 | -69.1 | -176.2 | 143.3 | 0 | 0 | 112.1 | S1378 K1383 V1384 | S1378-E1380 VanDerWaalsContact C-N 3.35Å; S1378-E1380 PolarHBondContact O-N 2.97Å; E1380-K1383 PolarHBondContact O-N 3.14Å; E1380-V1384 WeakPolarHBondContact O-CG2 3.29Å; E1380-V1384 PolarHBondContact O-N 3.23Å; E1380-V1384 VanDerWaalsContact O-N 3.14Å |
| 1381 | K | 58 | Low | 50.9 | Low | 145.2 Ų | 145.2 | 115.6 Ų | 115.6 | 63% | 0.631 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.1 | -39.7 | 174.7 | -77.8 | -178.5 | 176.2 | 177.7 | 0 | 112.6 | S1377 S1378 K1383 V1384 I1385 | S1377-K1381 PolarHBondContact O-N 2.83Å; S1378-K1381 PolarHBondContact O-N 3.16Å; K1381-K1383 PolarHBondContact O-N 2.99Å; K1381-V1384 PolarHBondContact O-N 3.15Å; K1381-V1384 VanDerWaalsContact O-N 3.15Å; K1381-I1385 WeakPolarHBondContact O-CD1 3.26Å; K1381-I1385 VanDerWaalsContact O-CG1 3.29Å; K1381-I1385 WeakPolarHBondContact O-CG1 3.33Å; K1381-I1385 PolarHBondContact O-N 2.96Å; K1381-I1385 VanDerWaalsContact O-N 3.13Å |
| 1382 | I | 59.6 | Low | 51 | Low | 83.8 Ų | 83.8 | 118.9 Ų | 118.9 | 43% | 0.43 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -58.9 | -48 | 175 | -69.4 | 163.7 | 0 | 0 | 0 | 110 | S1378 V1379 V1384 I1385 E1386 | S1378-I1382 WeakPolarHBondContact O-CB 3.39Å; S1378-I1382 WeakPolarHBondContact O-CD1 3.48Å; S1378-I1382 VanDerWaalsContact O-CG1 3.27Å; S1378-I1382 WeakPolarHBondContact O-CG1 3.37Å; S1378-I1382 PolarHBondContact O-N 3.05Å; S1378-I1382 VanDerWaalsContact O-N 3.12Å; V1379-I1382 PolarHBondContact O-N 3.02Å; I1382-V1384 VanDerWaalsContact C-N 3.27Å; I1382-V1384 PolarHBondContact O-N 2.91Å; I1382-V1384 VanDerWaalsContact O-N 3.15Å; I1382-I1385 CarbonylContact O-C 3.57Å; I1382-I1385 WeakPolarHBondContact O-CA 3.34Å; I1382-I1385 WeakPolarHBondContact O-CB 3.35Å; I1382-I1385 PolarHBondContact O-N 3.05Å; I1382-I1385 VanDerWaalsContact O-N 3.09Å; I1382-E1386 VanDerWaalsContact CG2-CD 3.5Å; I1382-E1386 HydrophobicContact CG2-CG 4.23Å; I1382-E1386 WeakPolarHBondContact CG2-OE1 3.31Å; I1382-E1386 WeakPolarHBondContact CG2-OE2 3.37Å; I1382-E1386 WeakPolarHBondContact O-CB 3.47Å; I1382-E1386 WeakPolarHBondContact O-CG 3.4Å; I1382-E1386 PolarHBondContact O-N 3.08Å |
| 1383 | K | 64.3 | Low | 50.6 | Low | 144.2 Ų | 144.2 | 123.8 Ų | 123.8 | 63% | 0.627 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -61.6 | -25.4 | 175.7 | -75.4 | -178.4 | 175.6 | -179.3 | 0 | 115.1 | V1379 E1380 K1381 A1387 | V1379-K1383 HydrophobicContact CG1-CD 4.46Å; V1379-K1383 WeakPolarHBondContact O-CB 3.35Å; V1379-K1383 WeakPolarHBondContact O-CG 3.44Å; V1379-K1383 PolarHBondContact O-N 3.15Å; E1380-K1383 PolarHBondContact O-N 3.14Å; K1381-K1383 PolarHBondContact O-N 2.99Å; K1383-A1387 WeakPolarHBondContact O-CB 3.2Å; K1383-A1387 PolarHBondContact O-N 2.9Å |
| 1384 | V | 64.4 | Low | 50.3 | Low | 107.6 Ų | 107.6 | 122.9 Ų | 122.9 | 65% | 0.652 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -82.1 | -26.6 | 175.1 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | E1380 K1381 I1382 | E1380-V1384 WeakPolarHBondContact O-CG2 3.29Å; E1380-V1384 PolarHBondContact O-N 3.23Å; E1380-V1384 VanDerWaalsContact O-N 3.14Å; K1381-V1384 PolarHBondContact O-N 3.15Å; K1381-V1384 VanDerWaalsContact O-N 3.15Å; I1382-V1384 VanDerWaalsContact C-N 3.27Å; I1382-V1384 PolarHBondContact O-N 2.91Å; I1382-V1384 VanDerWaalsContact O-N 3.15Å |
| 1385 | I | 55.4 | Low | 50 | Low | 134.6 Ų | 134.6 | 120.4 Ų | 120.4 | 69% | 0.69 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -82.4 | -34 | 176.5 | -65.7 | 162.5 | 0 | 0 | 0 | 111 | K1381 I1382 A1387 | K1381-I1385 WeakPolarHBondContact O-CD1 3.26Å; K1381-I1385 VanDerWaalsContact O-CG1 3.29Å; K1381-I1385 WeakPolarHBondContact O-CG1 3.33Å; K1381-I1385 PolarHBondContact O-N 2.96Å; K1381-I1385 VanDerWaalsContact O-N 3.13Å; I1382-I1385 CarbonylContact O-C 3.57Å; I1382-I1385 WeakPolarHBondContact O-CA 3.34Å; I1382-I1385 WeakPolarHBondContact O-CB 3.35Å; I1382-I1385 PolarHBondContact O-N 3.05Å; I1382-I1385 VanDerWaalsContact O-N 3.09Å; I1385-A1387 VanDerWaalsContact C-N 3.3Å; I1385-A1387 PolarHBondContact O-N 2.86Å |
| 1386 | E | 52.6 | Low | 49.5 | Very low | 143.4 Ų | 143.4 | 124.7 Ų | 124.7 | 67% | 0.67 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -76.5 | -8.4 | 175.4 | -68.7 | 173.6 | 162.9 | 0 | 0 | 113.8 | I1382 | I1382-E1386 VanDerWaalsContact CG2-CD 3.5Å; I1382-E1386 HydrophobicContact CG2-CG 4.23Å; I1382-E1386 WeakPolarHBondContact CG2-OE1 3.31Å; I1382-E1386 WeakPolarHBondContact CG2-OE2 3.37Å; I1382-E1386 WeakPolarHBondContact O-CB 3.47Å; I1382-E1386 WeakPolarHBondContact O-CG 3.4Å; I1382-E1386 PolarHBondContact O-N 3.08Å |
| 1387 | A | 47.1 | Very low | 48.7 | Very low | 52.4 Ų | 52.4 | 122.4 Ų | 122.4 | 43% | 0.433 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -73.3 | 129.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | K1383 I1385 K1389 | K1383-A1387 WeakPolarHBondContact O-CB 3.2Å; K1383-A1387 PolarHBondContact O-N 2.9Å; I1385-A1387 VanDerWaalsContact C-N 3.3Å; I1385-A1387 PolarHBondContact O-N 2.86Å; A1387-K1389 PolarHBondContact O-N 2.88Å; A1387-K1389 VanDerWaalsContact O-N 3.12Å |
| 1388 | P | 42.2 | Very low | 47.8 | Very low | 129.6 Ų | 129.6 | 125.6 Ų | 125.6 | 84% | 0.842 | 68% | 0.681 | S | S | * | * | trans | -64.6 | 113 | -178.5 | 25.8 | -33.5 | 0 | 0 | 0 | 110.4 | V1390 | P1388-V1390 PolarHBondContact O-N 2.81Š| ||
| 1389 | K | 42.8 | Very low | 47.5 | Very low | 182 Ų | 182 | 132.6 Ų | 132.6 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | trans | -86.5 | 117 | -178.2 | -142.9 | -179.7 | -177.9 | -175.6 | 0 | 109.4 | A1387 V1391 | A1387-K1389 PolarHBondContact O-N 2.88Å; A1387-K1389 VanDerWaalsContact O-N 3.12Å; K1389-V1391 HydrophobicContact CB-CG2 4.19Å; K1389-V1391 HydrophobicContact CD-CG2 4.33Å; K1389-V1391 HydrophobicContact CG-CG2 4.08Å; K1389-V1391 PolarHBondContact O-N 2.93Å | ||
| 1390 | V | 41.9 | Very low | 47.2 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 85% | 0.848 | 71% | 0.709 | S | S | * | * | trans | -70.4 | 122.5 | 169.8 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | P1388 E1392 | P1388-V1390 PolarHBondContact O-N 2.81Å; V1390-E1392 PolarHBondContact O-N 2.86Å; V1390-E1392 VanDerWaalsContact O-N 3.09Å | ||
| 1391 | V | 42.9 | Very low | 47.5 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 74% | 0.739 | 71% | 0.709 | S | S | * | * | trans | -120.2 | 130.8 | 176.8 | -176.2 | 0 | 0 | 0 | 0 | 108.3 | K1389 E1393 | K1389-V1391 HydrophobicContact CB-CG2 4.19Å; K1389-V1391 HydrophobicContact CD-CG2 4.33Å; K1389-V1391 HydrophobicContact CG-CG2 4.08Å; K1389-V1391 PolarHBondContact O-N 2.93Å; V1391-E1393 PolarHBondContact O-N 2.76Å | ||
| 1392 | E | 41.8 | Very low | 48.6 | Very low | 184.2 Ų | 184.2 | 129.3 Ų | 129.3 | 86% | 0.861 | 71% | 0.705 | S | S | * | * | trans | -78.2 | 145.6 | -176.4 | -63 | 175.3 | 136.3 | 0 | 0 | 111.7 | V1390 A1394 | V1390-E1392 PolarHBondContact O-N 2.86Å; V1390-E1392 VanDerWaalsContact O-N 3.09Å; E1392-A1394 PolarHBondContact O-N 2.97Å | ||
| 1393 | E | 34.1 | Very low | 49.9 | Very low | 199.4 Ų | 199.4 | 125.6 Ų | 125.6 | 93% | 0.932 | 69% | 0.686 | S | S | * | * | trans | -68.3 | 133.8 | -177.9 | -67 | 172.8 | 151.3 | 0 | 0 | 112.2 | V1391 | V1391-E1393 PolarHBondContact O-N 2.76Š| ||
| 1394 | A | 39.2 | Very low | 51.1 | Low | 88.2 Ų | 88.2 | 122.7 Ų | 122.7 | 73% | 0.729 | 68% | 0.676 | S | S | * | * | trans | -113.4 | 149.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | E1392 E1396 | E1392-A1394 PolarHBondContact O-N 2.97Å; A1394-E1396 PolarHBondContact O-N 2.94Å; A1394-E1396 VanDerWaalsContact O-N 3.16Å | ||
| 1395 | P | 40.5 | Very low | 52.4 | Low | 128.6 Ų | 128.6 | 119 Ų | 119 | 84% | 0.835 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 142.4 | -164.2 | 20.2 | -21.4 | 0 | 0 | 0 | 113.9 | ||
| 1396 | E | 35.3 | Very low | 54 | Low | 170.8 Ų | 170.8 | 116.6 Ų | 116.6 | 80% | 0.798 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 139.4 | -175.2 | -62.4 | 177.8 | 163.9 | 0 | 0 | 114 | A1394 T1398 | A1394-E1396 PolarHBondContact O-N 2.94Å; A1394-E1396 VanDerWaalsContact O-N 3.16Å; E1396-T1398 PolarHBondContact O-N 2.82Å |
| 1397 | P | 36.2 | Very low | 55.8 | Low | 105.2 Ų | 105.2 | 111.9 Ų | 111.9 | 68% | 0.683 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 122.1 | 163.4 | 23.8 | -18 | 0 | 0 | 0 | 110.6 | F1399 | P1397-F1399 VanDerWaalsContact C-N 3.27Å; P1397-F1399 HydrophobicContact CB-CD2 4.24Å; P1397-F1399 HydrophobicContact CB-CE2 3.78Å; P1397-F1399 HydrophobicContact CB-CZ 4.25Å; P1397-F1399 HydrophobicContact CG-CE2 4.16Å; P1397-F1399 WeakPolarHBondContact O-CD2 3.34Å; P1397-F1399 PolarHBondContact O-N 3.08Å; P1397-F1399 VanDerWaalsContact O-N 3.14Å |
| 1398 | T | 36.8 | Very low | 57.9 | Low | 125 Ų | 125 | 113 Ų | 113 | 77% | 0.767 | 62% | 0.624 | S | S | * | * | trans | -81.1 | 102.1 | -177.8 | 51 | 0 | 0 | 0 | 0 | 112 | E1396 G1400 | E1396-T1398 PolarHBondContact O-N 2.82Å; T1398-G1400 PolarHBondContact O-N 3.22Å | ||
| 1399 | F | 41.2 | Very low | 60.3 | Low | 178.8 Ų | 178.8 | 107.5 Ų | 107.5 | 78% | 0.784 | 59% | 0.587 | S | S | * | * | trans | -141.3 | 94.7 | 155.2 | -90 | -75 | 0 | 0 | 0 | 109.8 | P1397 C1484 | P1397-F1399 VanDerWaalsContact C-N 3.27Å; P1397-F1399 HydrophobicContact CB-CD2 4.24Å; P1397-F1399 HydrophobicContact CB-CE2 3.78Å; P1397-F1399 HydrophobicContact CB-CZ 4.25Å; P1397-F1399 HydrophobicContact CG-CE2 4.16Å; P1397-F1399 WeakPolarHBondContact O-CD2 3.34Å; P1397-F1399 PolarHBondContact O-N 3.08Å; P1397-F1399 VanDerWaalsContact O-N 3.14Å; F1399-C1484 PolarHBondContact O-SG 2.91Å | ||
| 1400 | G | 53.9 | Low | 62.5 | Low | 46 Ų | 46 | 104.8 Ų | 104.8 | 47% | 0.474 | 58% | 0.576 | S | S | . | * | trans | -165 | 97.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T1398 C1484 | T1398-G1400 PolarHBondContact O-N 3.22Å; G1400-C1484 PolarHBondContact O-SG 3.09Å; G1400-C1484 VanDerWaalsContact O-SG 3.36Å | ||
| 1401 | D | 67.3 | Low | 64.9 | Low | 125.6 Ų | 125.6 | 103.1 Ų | 103.1 | 67% | 0.672 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 142.2 | 168.8 | -86 | -42.2 | 0 | 0 | 0 | 110 | P1429 N1482 | D1401-P1429 HydrophobicContact CB-CG 4.27Å; D1401-P1429 VanDerWaalsContact O-CD 3.23Å; D1401-P1429 WeakPolarHBondContact O-CD 3.4Å; D1401-P1429 WeakPolarHBondContact O-CG 3.47Å; D1401-N1482 PolarHBondContact O-ND2 2.93Å |
| 1402 | K | 80.1 | Confident | 67.1 | Low | 124.4 Ų | 124.4 | 99 Ų | 99 | 54% | 0.541 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 149 | 173.6 | 58 | 176.5 | -176.3 | 178.4 | 0 | 111.4 | I1404 A1485 | K1402-I1404 HydrophobicContact CG-CD1 4.45Å; K1402-I1404 HydrophobicContact CG-CG1 4.28Å; K1402-I1404 PolarHBondContact O-N 3.15Å; K1402-A1485 HydrophobicContact CB-CB 3.68Å |
| 1403 | P | 88.8 | Confident | 69.2 | Low | 5 Ų | 5 | 93.6 Ų | 93.6 | 3% | 0.032 | 52% | 0.52 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 135.8 | 172.4 | 26 | -34.8 | 0 | 0 | 0 | 110.4 | V1427 T1428 L1435 A1480 N1482 A1485 A1487 | P1403-V1427 HydrophobicContact CB-CG2 4.16Å; P1403-T1428 CarbonylContact C-O 3.53Å; P1403-T1428 VanDerWaalsContact CA-O 3.29Å; P1403-T1428 WeakPolarHBondContact CA-O 3.35Å; P1403-L1435 HydrophobicContact CB-CD1 4.11Å; P1403-A1480 HydrophobicContact CB-CB 3.87Å; P1403-A1480 HydrophobicContact CG-CB 4.41Å; P1403-A1480 VanDerWaalsContact CG-O 3.31Å; P1403-A1480 WeakPolarHBondContact CG-O 3.32Å; P1403-N1482 VanDerWaalsContact CD-OD1 3.25Å; P1403-N1482 WeakPolarHBondContact CD-OD1 3.37Å; P1403-A1485 VanDerWaalsContact CD-O 3.28Å; P1403-A1485 WeakPolarHBondContact CD-O 3.34Å; P1403-A1485 VanDerWaalsContact CG-O 3.29Å; P1403-A1485 WeakPolarHBondContact CG-O 3.23Å; P1403-A1487 HydrophobicContact CB-CB 4.1Å; P1403-A1487 HydrophobicContact CG-CB 3.99Å; P1403-A1487 VanDerWaalsContact O-CB 3.26Å; P1403-A1487 WeakPolarHBondContact O-CB 3.21Å |
| 1404 | I | 89.2 | Confident | 71.5 | Confident | 83.2 Ų | 83.2 | 88.9 Ų | 88.9 | 43% | 0.427 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 123.8 | 176.9 | -63 | 172.7 | 0 | 0 | 0 | 107.3 | K1402 T1406 V1427 T1428 | K1402-I1404 HydrophobicContact CG-CD1 4.45Å; K1402-I1404 HydrophobicContact CG-CG1 4.28Å; K1402-I1404 PolarHBondContact O-N 3.15Å; I1404-T1406 PolarHBondContact O-N 3.02Å; I1404-T1406 VanDerWaalsContact O-N 3.13Å; I1404-V1427 CarbonylContact O-C 3.45Å; I1404-V1427 WeakPolarHBondContact O-CA 3.38Å; I1404-T1428 PolarHBondContact N-O 2.9Å; I1404-T1428 PolarHBondContact O-N 2.94Å; I1404-T1428 PolarHBondContact O-OG1 2.95Å |
| 1405 | F | 91.5 | Very high | 73.7 | Confident | 30.6 Ų | 30.6 | 85.2 Ų | 85.2 | 13% | 0.134 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 105.4 | 169 | -71.6 | -75.8 | 0 | 0 | 0 | 109.4 | Q1407 C1425 R1426 V1427 C1478 A1480 A1487 T1489 | F1405-Q1407 VanDerWaalsContact C-N 3.27Å; F1405-C1425 HydrophobicContact CD1-CB 4.12Å; F1405-C1425 HydrophobicContact CE1-CB 4.42Å; F1405-R1426 CarbonylContact C-O 3.53Å; F1405-R1426 VanDerWaalsContact CA-O 3.23Å; F1405-R1426 WeakPolarHBondContact CA-O 3.35Å; F1405-R1426 WeakPolarHBondContact CD1-O 3.44Å; F1405-V1427 HydrophobicContact CD1-CB 4.12Å; F1405-V1427 HydrophobicContact CE1-CB 4.13Å; F1405-V1427 HydrophobicContact CE1-CG2 4.48Å; F1405-C1478 HydrophobicContact CZ-CB 4.49Å; F1405-C1478 WeakPolarHBondContact CZ-SG 3.5Å; F1405-A1480 HydrophobicContact CE1-CB 4.37Å; F1405-A1480 HydrophobicContact CE2-CB 4.02Å; F1405-A1480 HydrophobicContact CZ-CB 3.65Å; F1405-A1487 HydrophobicContact CD2-CB 4.09Å; F1405-A1487 HydrophobicContact CE2-CB 4.02Å; F1405-T1489 HydrophobicContact CD1-CG2 3.74Å; F1405-T1489 HydrophobicContact CD2-CG2 3.85Å; F1405-T1489 HydrophobicContact CE1-CG2 3.64Å; F1405-T1489 HydrophobicContact CE2-CG2 3.75Å; F1405-T1489 HydrophobicContact CG-CG2 3.85Å; F1405-T1489 HydrophobicContact CZ-CG2 3.64Å |
| 1406 | T | 89.1 | Confident | 75.8 | Confident | 84.4 Ų | 84.4 | 81.6 Ų | 81.6 | 52% | 0.518 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -27.4 | 175.5 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | I1404 R1426 T1428 | I1404-T1406 PolarHBondContact O-N 3.02Å; I1404-T1406 VanDerWaalsContact O-N 3.13Å; T1406-R1426 PolarHBondContact N-O 2.93Å; T1406-R1426 WeakPolarHBondContact OG1-CB 3.28Å; T1406-R1426 PolarHBondContact OG1-O 2.83Å; T1406-T1428 HydrophobicContact CG2-CG2 3.64Å; T1406-T1428 WeakPolarHBondContact CG2-OG1 3.37Å |
| 1407 | Q | 89.8 | Confident | 78 | Confident | 45.2 Ų | 45.2 | 76.9 Ų | 76.9 | 21% | 0.211 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 109.4 | 166.7 | 179.5 | 179 | -13.7 | 0 | 0 | 107.7 | F1405 E1424 C1425 R1426 | F1405-Q1407 VanDerWaalsContact C-N 3.27Å; Q1407-E1424 PolarHBondContact NE2-OE1 3.17Å; Q1407-C1425 CarbonylContact O-C 3.53Å; Q1407-C1425 VanDerWaalsContact O-CA 3.25Å; Q1407-C1425 WeakPolarHBondContact O-CA 3.32Å; Q1407-C1425 WeakPolarHBondContact O-CB 3.33Å; Q1407-R1426 HydrophobicContact CB-CB 3.88Å; Q1407-R1426 HydrophobicContact CB-CG 4.18Å; Q1407-R1426 PolarHBondContact N-O 3.02Å; Q1407-R1426 PolarHBondContact O-N 3.01Å |
| 1408 | P | 90.6 | Very high | 80.1 | Confident | 74.6 Ų | 74.6 | 74.2 Ų | 74.2 | 48% | 0.484 | 42% | 0.415 | S | S | . | . | trans | -74.6 | 163.9 | 175.9 | 31.8 | -35.2 | 0 | 0 | 0 | 111.6 | T1489 | P1408-T1489 WeakPolarHBondContact CA-OG1 3.25Å; P1408-T1489 WeakPolarHBondContact CB-OG1 3.3Å | ||
| 1409 | L | 92.7 | Very high | 82.4 | Confident | 14 Ų | 14 | 69.2 Ų | 69.2 | 7% | 0.073 | 39% | 0.387 | C | S | . | . | trans | -60.8 | 148.7 | 172.9 | -66.9 | 174.5 | 0 | 0 | 0 | 111.7 | F1423 E1424 C1425 W1439 C1478 T1489 A1491 | L1409-F1423 HydrophobicContact CD2-CB 4.02Å; L1409-F1423 HydrophobicContact CD2-CD1 4.48Å; L1409-E1424 WeakPolarHBondContact CD2-O 3.11Å; L1409-C1425 HydrophobicContact CD2-CB 3.88Å; L1409-C1425 WeakPolarHBondContact CD2-SG 3.36Å; L1409-C1425 HydrophobicContact CG-CB 4.18Å; L1409-W1439 HydrophobicContact CD1-CH2 4.22Å; L1409-W1439 HydrophobicContact CD1-CZ3 3.96Å; L1409-W1439 HydrophobicContact CD2-CH2 3.78Å; L1409-W1439 HydrophobicContact CD2-CZ3 4.28Å; L1409-C1478 HydrophobicContact CD1-CB 3.89Å; L1409-C1478 HydrophobicContact CG-CB 4.45Å; L1409-T1489 HydrophobicContact CB-CG2 4.4Å; L1409-T1489 HydrophobicContact CD1-CG2 3.9Å; L1409-T1489 HydrophobicContact CG-CG2 3.67Å; L1409-T1489 PolarHBondContact N-OG1 3Å; L1409-A1491 HydrophobicContact CB-CB 3.63Å; L1409-A1491 HydrophobicContact CD1-CB 4.36Å | ||
| 1410 | K | 90.2 | Very high | 84.7 | Confident | 125.2 Ų | 125.2 | 63.3 Ų | 63.3 | 54% | 0.544 | 37% | 0.366 | S | S | . | . | trans | -109.6 | 145.2 | 172.7 | -63.2 | 172.3 | -174.5 | 165.1 | 0 | 109.9 | E1424 A1491 | K1410-E1424 IonicContact NZ-OE1 2.99Å; K1410-E1424 PolarHBondContact NZ-OE1 2.96Å; K1410-A1491 VanDerWaalsContact C-CB 3.44Å; K1410-A1491 WeakPolarHBondContact O-CB 3.35Å | ||
| 1411 | N | 91.8 | Very high | 86.5 | Confident | 105.4 Ų | 105.4 | 61.1 Ų | 61.1 | 56% | 0.564 | 34% | 0.344 | S | S | * | . | trans | -64.5 | 144.5 | 172.9 | -64.8 | -28.3 | 0 | 0 | 0 | 110.7 | A1491 S1492 F1591 | N1411-A1491 VanDerWaalsContact OD1-CA 3.26Å; N1411-A1491 WeakPolarHBondContact OD1-CA 3.29Å; N1411-S1492 WeakPolarHBondContact CA-O 3.29Å; N1411-S1492 VanDerWaalsContact CG-OG 3.31Å; N1411-S1492 PolarHBondContact OD1-N 2.98Å; N1411-S1492 PolarHBondContact OD1-OG 3.04Å; N1411-F1591 WeakPolarHBondContact ND2-CZ 2.86Å | ||
| 1412 | V | 88.4 | Confident | 87.7 | Confident | 34.2 Ų | 34.2 | 61 Ų | 61 | 21% | 0.207 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 105.5 | 177.4 | -175.7 | 0 | 0 | 0 | 0 | 107.1 | V1415 A1421 Y1422 F1423 S1492 L1493 G1494 | V1412-V1415 HydrophobicContact CG1-CG2 3.55Å; V1412-A1421 HydrophobicContact CG1-CB 4.35Å; V1412-Y1422 WeakPolarHBondContact CG2-O 3.33Å; V1412-F1423 HydrophobicContact CB-CE1 4.19Å; V1412-F1423 HydrophobicContact CB-CZ 4.22Å; V1412-F1423 HydrophobicContact CG2-CD1 4.01Å; V1412-F1423 HydrophobicContact CG2-CE1 3.64Å; V1412-F1423 VanDerWaalsContact CG2-CE1 3.45Å; V1412-F1423 HydrophobicContact CG2-CG 4.49Å; V1412-F1423 HydrophobicContact CG2-CZ 4.07Å; V1412-S1492 CarbonylContact C-O 3.48Å; V1412-S1492 PolarHBondContact N-O 3.01Å; V1412-S1492 VanDerWaalsContact O-O 3.13Å; V1412-L1493 HydrophobicContact CB-CD1 3.98Å; V1412-L1493 HydrophobicContact CG1-CD1 3.92Å; V1412-L1493 CarbonylContact O-C 3.48Å; V1412-L1493 VanDerWaalsContact O-CA 3.27Å; V1412-L1493 WeakPolarHBondContact O-CA 3.3Å; V1412-L1493 WeakPolarHBondContact O-CD1 3.22Å; V1412-G1494 PolarHBondContact O-N 3.02Å |
| 1413 | S | 86 | Confident | 88.4 | Confident | 72.2 Ų | 72.2 | 55.3 Ų | 55.3 | 51% | 0.505 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 170.7 | 178.4 | 62.1 | 0 | 0 | 0 | 0 | 111.3 | V1415 G1494 | S1413-V1415 PolarHBondContact O-N 3.16Å; S1413-V1415 VanDerWaalsContact O-N 3.16Å; S1413-G1494 CarbonylContact C-O 3.55Å |
| 1414 | D | 83.8 | Confident | 88.6 | Confident | 100 Ų | 100 | 58.6 Ų | 58.6 | 54% | 0.535 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 61.5 | 20.3 | 165.9 | -47.8 | -63.7 | 0 | 0 | 0 | 115.6 | P1416 G1494 I1496 | D1414-P1416 VanDerWaalsContact O-CD 3.3Å; D1414-P1416 WeakPolarHBondContact O-CD 3.34Å; D1414-G1494 PolarHBondContact N-O 3.12Å; D1414-G1494 VanDerWaalsContact N-O 3.13Å; D1414-I1496 HydrophobicContact CB-CD1 3.87Å; D1414-I1496 WeakPolarHBondContact OD1-CD1 3.38Å |
| 1415 | V | 84.8 | Confident | 88.8 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 121.2 | 177.3 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | V1412 S1413 A1419 A1421 C1468 L1493 G1494 V1495 I1496 | V1412-V1415 HydrophobicContact CG1-CG2 3.55Å; S1413-V1415 PolarHBondContact O-N 3.16Å; S1413-V1415 VanDerWaalsContact O-N 3.16Å; V1415-A1419 HydrophobicContact CG1-CB 3.98Å; V1415-A1421 HydrophobicContact CG1-CB 4.42Å; V1415-A1421 HydrophobicContact CG2-CB 4.41Å; V1415-C1468 HydrophobicContact CG1-CB 4.04Å; V1415-L1493 HydrophobicContact CB-CD1 4.31Å; V1415-L1493 HydrophobicContact CG2-CD1 3.8Å; V1415-G1494 PolarHBondContact N-O 3.02Å; V1415-G1494 VanDerWaalsContact N-O 3.11Å; V1415-V1495 HydrophobicContact CB-CG2 4.46Å; V1415-V1495 CarbonylContact O-C 3.56Å; V1415-V1495 VanDerWaalsContact O-CA 3.28Å; V1415-V1495 WeakPolarHBondContact O-CA 3.25Å; V1415-V1495 VanDerWaalsContact O-CG1 3.26Å; V1415-V1495 WeakPolarHBondContact O-CG1 3.26Å; V1415-I1496 PolarHBondContact O-N 3.11Å |
| 1416 | P | 83.6 | Confident | 88.8 | Confident | 53.2 Ų | 53.2 | 58.2 Ų | 58.2 | 35% | 0.345 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 146.3 | 175.5 | -11.5 | 21.7 | 0 | 0 | 0 | 111.6 | D1414 G1418 A1419 I1496 | D1414-P1416 VanDerWaalsContact O-CD 3.3Å; D1414-P1416 WeakPolarHBondContact O-CD 3.34Å; P1416-G1418 PolarHBondContact O-N 3.05Å; P1416-A1419 HydrophobicContact CB-CB 4.32Å; P1416-A1419 HydrophobicContact CG-CB 4.33Å; P1416-A1419 VanDerWaalsContact O-CB 3.26Å; P1416-A1419 WeakPolarHBondContact O-CB 3.31Å; P1416-A1419 PolarHBondContact O-N 2.8Å; P1416-I1496 WeakPolarHBondContact CA-O 3.49Å |
| 1417 | E | 82.7 | Confident | 89 | Confident | 72.2 Ų | 72.2 | 54.3 Ų | 54.3 | 34% | 0.337 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 124.8 | 171.5 | -176 | 155.3 | -134.6 | 0 | 0 | 111.4 | C1468 T1469 I1470 V1495 I1496 G1497 G1498 L1503 | E1417-C1468 CarbonylContact C-O 3.57Å; E1417-C1468 WeakPolarHBondContact CA-O 3.29Å; E1417-T1469 VanDerWaalsContact OE1-CA 3.32Å; E1417-T1469 WeakPolarHBondContact OE1-CA 3.23Å; E1417-I1470 PolarHBondContact OE1-N 2.94Å; E1417-V1495 HydrophobicContact CB-CG1 4.39Å; E1417-I1496 PolarHBondContact N-O 2.93Å; E1417-I1496 VanDerWaalsContact N-O 3.14Å; E1417-G1497 WeakPolarHBondContact OE2-CA 3.31Å; E1417-G1498 PolarHBondContact OE2-N 3.15Å; E1417-G1498 VanDerWaalsContact OE2-N 3.1Å; E1417-L1503 WeakPolarHBondContact OE1-CD1 3.45Å |
| 1418 | G | 80.4 | Confident | 88.8 | Confident | 48.8 Ų | 48.8 | 54.4 Ų | 54.4 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.1 | -21.9 | -172 | 0 | 0 | 0 | 0 | 0 | 115 | P1416 G1467 C1468 | P1416-G1418 PolarHBondContact O-N 3.05Å; G1418-G1467 WeakPolarHBondContact O-CA 3.44Å; G1418-C1468 PolarHBondContact N-O 3.09Å |
| 1419 | A | 84 | Confident | 88.5 | Confident | 20.4 Ų | 20.4 | 52.3 Ų | 52.3 | 17% | 0.169 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -77.6 | 153.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1415 P1416 G1467 C1468 | V1415-A1419 HydrophobicContact CG1-CB 3.98Å; P1416-A1419 HydrophobicContact CB-CB 4.32Å; P1416-A1419 HydrophobicContact CG-CB 4.33Å; P1416-A1419 VanDerWaalsContact O-CB 3.26Å; P1416-A1419 WeakPolarHBondContact O-CB 3.31Å; P1416-A1419 PolarHBondContact O-N 2.8Å; A1419-G1467 CarbonylContact O-C 3.36Å; A1419-G1467 WeakPolarHBondContact O-CA 3.17Å; A1419-C1468 VanDerWaalsContact O-CB 3.31Å; A1419-C1468 WeakPolarHBondContact O-CB 3.33Å; A1419-C1468 PolarHBondContact O-N 3.07Å; A1419-C1468 PolarHBondContact O-SG 2.91Å; A1419-C1468 VanDerWaalsContact O-SG 3.39Å |
| 1420 | P | 90.7 | Very high | 87.7 | Confident | 54.2 Ų | 54.2 | 54.7 Ų | 54.7 | 35% | 0.352 | 30% | 0.299 | S | S | . | . | trans | -79.2 | 143.4 | 176.6 | 31.3 | -34.4 | 0 | 0 | 0 | 112.7 | Y1422 I1465 | P1420-Y1422 HydrophobicContact CB-CE2 3.94Å; P1420-Y1422 HydrophobicContact CG-CE2 4.08Å; P1420-I1465 CarbonylContact C-O 3.51Å; P1420-I1465 WeakPolarHBondContact CA-O 3.39Å; P1420-I1465 VanDerWaalsContact CB-O 3.26Å; P1420-I1465 WeakPolarHBondContact CB-O 3.33Å | ||
| 1421 | A | 90.9 | Very high | 86.7 | Confident | 1.2 Ų | 1.2 | 54 Ų | 54 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 147.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1412 V1415 K1464 I1465 C1468 L1493 | V1412-A1421 HydrophobicContact CG1-CB 4.35Å; V1415-A1421 HydrophobicContact CG1-CB 4.42Å; V1415-A1421 HydrophobicContact CG2-CB 4.41Å; A1421-K1464 WeakPolarHBondContact O-CA 3.22Å; A1421-I1465 HydrophobicContact CB-CB 4.46Å; A1421-I1465 PolarHBondContact N-O 3.03Å; A1421-I1465 PolarHBondContact O-N 3.08Å; A1421-C1468 WeakPolarHBondContact CB-SG 3.25Å; A1421-L1493 HydrophobicContact CB-CD1 3.76Å; A1421-L1493 HydrophobicContact CB-CD2 4.11Å |
| 1422 | Y | 92.5 | Very high | 86 | Confident | 123.4 Ų | 123.4 | 50.3 Ų | 50.3 | 48% | 0.484 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 131 | -175.8 | -64 | -97.8 | 0 | 0 | 0 | 110.9 | V1412 P1420 L1463 K1464 | V1412-Y1422 WeakPolarHBondContact CG2-O 3.33Å; P1420-Y1422 HydrophobicContact CB-CE2 3.94Å; P1420-Y1422 HydrophobicContact CG-CE2 4.08Å; Y1422-L1463 WeakPolarHBondContact CA-O 3.4Å; Y1422-K1464 HydrophobicContact CD1-CB 4.16Å; Y1422-K1464 HydrophobicContact CD1-CD 4.33Å; Y1422-K1464 HydrophobicContact CD1-CG 4.05Å; Y1422-K1464 HydrophobicContact CE1-CB 4.23Å; Y1422-K1464 HydrophobicContact CE1-CD 3.6Å; Y1422-K1464 HydrophobicContact CE1-CG 3.71Å; Y1422-K1464 VanDerWaalsContact OH-CE 3.26Å; Y1422-K1464 WeakPolarHBondContact OH-CE 3.39Å; Y1422-K1464 PolarHBondContact OH-NZ 3.13Å |
| 1423 | F | 93.9 | Very high | 85.4 | Confident | 3.4 Ų | 3.4 | 53.3 Ų | 53.3 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.1 | 174.1 | -74.9 | -71.1 | 0 | 0 | 0 | 109.1 | L1409 V1412 W1439 Y1462 L1463 Y1476 A1491 L1493 | L1409-F1423 HydrophobicContact CD2-CB 4.02Å; L1409-F1423 HydrophobicContact CD2-CD1 4.48Å; V1412-F1423 HydrophobicContact CB-CE1 4.19Å; V1412-F1423 HydrophobicContact CB-CZ 4.22Å; V1412-F1423 HydrophobicContact CG2-CD1 4.01Å; V1412-F1423 HydrophobicContact CG2-CE1 3.64Å; V1412-F1423 VanDerWaalsContact CG2-CE1 3.45Å; V1412-F1423 HydrophobicContact CG2-CG 4.49Å; V1412-F1423 HydrophobicContact CG2-CZ 4.07Å; F1423-W1439 HydrophobicContact CB-CH2 3.83Å; F1423-W1439 HydrophobicContact CB-CZ3 4.11Å; F1423-W1439 HydrophobicContact CG-CZ3 4.43Å; F1423-Y1462 CarbonylContact O-C 3.54Å; F1423-Y1462 WeakPolarHBondContact O-CA 3.28Å; F1423-Y1462 WeakPolarHBondContact O-CB 3.48Å; F1423-L1463 HydrophobicContact CB-CB 4.23Å; F1423-L1463 HydrophobicContact CB-CD2 4.36Å; F1423-L1463 HydrophobicContact CD2-CD2 3.96Å; F1423-L1463 HydrophobicContact CD2-CG 4.34Å; F1423-L1463 HydrophobicContact CE2-CD2 4.48Å; F1423-L1463 HydrophobicContact CG-CD2 4.37Å; F1423-L1463 PolarHBondContact N-O 3.03Å; F1423-L1463 PolarHBondContact O-N 3.03Å; F1423-Y1476 HydrophobicContact CD2-CD1 4.38Å; F1423-Y1476 HydrophobicContact CD2-CD2 4.41Å; F1423-Y1476 HydrophobicContact CD2-CG 4.29Å; F1423-Y1476 HydrophobicContact CE1-CD2 4.45Å; F1423-Y1476 HydrophobicContact CE2-CD1 4.27Å; F1423-Y1476 AromaticContact CE2-CD2 3.6Å; F1423-Y1476 HydrophobicContact CE2-CD2 3.6Å; F1423-Y1476 VanDerWaalsContact CE2-CD2 3.42Å; F1423-Y1476 HydrophobicContact CE2-CE1 4.49Å; F1423-Y1476 AromaticContact CE2-CE2 3.91Å; F1423-Y1476 HydrophobicContact CE2-CE2 3.97Å; F1423-Y1476 AromaticContact CE2-CG 3.76Å; F1423-Y1476 HydrophobicContact CE2-CG 3.81Å; F1423-Y1476 AromaticContact CZ-CD2 3.73Å; F1423-Y1476 HydrophobicContact CZ-CD2 3.73Å; F1423-Y1476 HydrophobicContact CZ-CE2 4.34Å; F1423-Y1476 AromaticContact CZ-CG 3.96Å; F1423-Y1476 HydrophobicContact CZ-CG 4.17Å; F1423-A1491 HydrophobicContact CD1-CB 3.92Å; F1423-A1491 HydrophobicContact CE1-CB 3.62Å; F1423-L1493 HydrophobicContact CE2-CB 4.23Å; F1423-L1493 HydrophobicContact CE2-CD1 4.41Å; F1423-L1493 HydrophobicContact CE2-CD2 4.44Å; F1423-L1493 HydrophobicContact CZ-CB 3.86Å; F1423-L1493 HydrophobicContact CZ-CD1 4.34Å |
| 1424 | E | 93.1 | Very high | 85.1 | Confident | 74.8 Ų | 74.8 | 52.3 Ų | 52.3 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 140.2 | -177.7 | 53.5 | 163.4 | -132.2 | 0 | 0 | 112.1 | Q1407 L1409 K1410 Y1460 V1461 | Q1407-E1424 PolarHBondContact NE2-OE1 3.17Å; L1409-E1424 WeakPolarHBondContact CD2-O 3.11Å; K1410-E1424 IonicContact NZ-OE1 2.99Å; K1410-E1424 PolarHBondContact NZ-OE1 2.96Å; E1424-Y1460 HydrophobicContact CB-CE2 4.38Å; E1424-Y1460 PolarHBondContact OE2-OH 3.34Å; E1424-V1461 CarbonylContact C-O 3.56Å; E1424-V1461 VanDerWaalsContact CA-O 3.3Å; E1424-V1461 WeakPolarHBondContact CA-O 3.45Å |
| 1425 | C | 93.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 166.9 | 172.3 | 54.9 | 0 | 0 | 0 | 0 | 111.2 | F1405 Q1407 L1409 V1461 T1489 | F1405-C1425 HydrophobicContact CD1-CB 4.12Å; F1405-C1425 HydrophobicContact CE1-CB 4.42Å; Q1407-C1425 CarbonylContact O-C 3.53Å; Q1407-C1425 VanDerWaalsContact O-CA 3.25Å; Q1407-C1425 WeakPolarHBondContact O-CA 3.32Å; Q1407-C1425 WeakPolarHBondContact O-CB 3.33Å; L1409-C1425 HydrophobicContact CD2-CB 3.88Å; L1409-C1425 WeakPolarHBondContact CD2-SG 3.36Å; L1409-C1425 HydrophobicContact CG-CB 4.18Å; C1425-V1461 HydrophobicContact CB-CB 4.31Å; C1425-V1461 PolarHBondContact N-O 2.95Å; C1425-V1461 WeakPolarHBondContact O-CA 3.47Å; C1425-V1461 WeakPolarHBondContact O-CB 3.26Å; C1425-V1461 PolarHBondContact O-N 2.89Å; C1425-V1461 VanDerWaalsContact O-O 3.12Å; C1425-V1461 VanDerWaalsContact SG-CB 3.5Å; C1425-V1461 WeakPolarHBondContact SG-CG1 3.31Å; C1425-V1461 PolarHBondContact SG-O 3.3Å; C1425-T1489 HydrophobicContact CB-CG2 4.41Å |
| 1426 | R | 92.3 | Very high | 85.2 | Confident | 105.6 Ų | 105.6 | 57.1 Ų | 57.1 | 40% | 0.398 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 138.4 | 173.4 | -68.3 | -178.3 | 174.7 | -146.7 | -1.7 | 110.5 | F1405 T1406 Q1407 G1459 Y1460 D2117 | F1405-R1426 CarbonylContact C-O 3.53Å; F1405-R1426 VanDerWaalsContact CA-O 3.23Å; F1405-R1426 WeakPolarHBondContact CA-O 3.35Å; F1405-R1426 WeakPolarHBondContact CD1-O 3.44Å; T1406-R1426 PolarHBondContact N-O 2.93Å; T1406-R1426 WeakPolarHBondContact OG1-CB 3.28Å; T1406-R1426 PolarHBondContact OG1-O 2.83Å; Q1407-R1426 HydrophobicContact CB-CB 3.88Å; Q1407-R1426 HydrophobicContact CB-CG 4.18Å; Q1407-R1426 PolarHBondContact N-O 3.02Å; Q1407-R1426 PolarHBondContact O-N 3.01Å; R1426-G1459 CarbonylContact C-O 3.49Å; R1426-G1459 VanDerWaalsContact CA-O 3.29Å; R1426-G1459 WeakPolarHBondContact CA-O 3.26Å; R1426-Y1460 HydrophobicContact CG-CD2 4Å; R1426-D2117 IonicContact CZ-OD1 2.67Å; R1426-D2117 IonicContact CZ-OD2 2.7Å; R1426-D2117 VanDerWaalsContact CZ-OD2 3.22Å; R1426-D2117 IonicContact NH1-OD1 3.75Å; R1426-D2117 PolarHBondContact NH1-OD1 3.36Å; R1426-D2117 IonicContact NH1-OD2 2.71Å; R1426-D2117 PolarHBondContact NH1-OD2 3.14Å; R1426-D2117 IonicContact NH2-OD2 3.59Å; R1426-D2117 PolarHBondContact NH2-OD2 3.14Å |
| 1427 | V | 92.1 | Very high | 85.6 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140.6 | -178.2 | 62.4 | 0 | 0 | 0 | 0 | 111.3 | P1403 I1404 F1405 L1435 I1437 G1459 V1461 A1480 | P1403-V1427 HydrophobicContact CB-CG2 4.16Å; I1404-V1427 CarbonylContact O-C 3.45Å; I1404-V1427 WeakPolarHBondContact O-CA 3.38Å; F1405-V1427 HydrophobicContact CD1-CB 4.12Å; F1405-V1427 HydrophobicContact CE1-CB 4.13Å; F1405-V1427 HydrophobicContact CE1-CG2 4.48Å; V1427-L1435 HydrophobicContact CG1-CD2 3.95Å; V1427-L1435 HydrophobicContact CG2-CD1 4.31Å; V1427-L1435 HydrophobicContact CG2-CD2 4.47Å; V1427-I1437 HydrophobicContact CG1-CD1 4.25Å; V1427-G1459 PolarHBondContact N-O 3.06Å; V1427-G1459 WeakPolarHBondContact O-CA 3.13Å; V1427-V1461 HydrophobicContact CB-CG2 4.48Å; V1427-V1461 HydrophobicContact CG1-CG2 3.9Å; V1427-A1480 HydrophobicContact CG2-CB 3.86Å |
| 1428 | T | 86.3 | Confident | 86 | Confident | 46.6 Ų | 46.6 | 55.8 Ų | 55.8 | 29% | 0.286 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 152.4 | 171.3 | 56.7 | 0 | 0 | 0 | 0 | 109.7 | P1403 I1404 T1406 V1430 | P1403-T1428 CarbonylContact C-O 3.53Å; P1403-T1428 VanDerWaalsContact CA-O 3.29Å; P1403-T1428 WeakPolarHBondContact CA-O 3.35Å; I1404-T1428 PolarHBondContact N-O 2.9Å; I1404-T1428 PolarHBondContact O-N 2.94Å; I1404-T1428 PolarHBondContact O-OG1 2.95Å; T1406-T1428 HydrophobicContact CG2-CG2 3.64Å; T1406-T1428 WeakPolarHBondContact CG2-OG1 3.37Å; T1428-V1430 HydrophobicContact CG2-CG2 4.17Å |
| 1429 | P | 85.2 | Confident | 86.7 | Confident | 32.2 Ų | 32.2 | 54.2 Ų | 54.2 | 21% | 0.209 | 27% | 0.271 | C | S | . | . | S | Bend | cis | -66.9 | 141.6 | 2.3 | 27.7 | -35.7 | 0 | 0 | 0 | 113.3 | D1401 D1432 | D1401-P1429 HydrophobicContact CB-CG 4.27Å; D1401-P1429 VanDerWaalsContact O-CD 3.23Å; D1401-P1429 WeakPolarHBondContact O-CD 3.4Å; D1401-P1429 WeakPolarHBondContact O-CG 3.47Å; P1429-D1432 HydrophobicContact CB-CB 4.49Å; P1429-D1432 HydrophobicContact CG-CB 3.91Å |
| 1430 | V | 75 | Confident | 87.1 | Confident | 63.6 Ų | 63.6 | 55.2 Ų | 55.2 | 39% | 0.385 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 142.4 | 168.6 | -166.6 | 0 | 0 | 0 | 0 | 107.5 | T1428 D1432 F1458 | T1428-V1430 HydrophobicContact CG2-CG2 4.17Å; V1430-D1432 VanDerWaalsContact C-N 3.34Å; V1430-D1432 PolarHBondContact O-N 3.27Å; V1430-F1458 VanDerWaalsContact CG1-C 3.47Å; V1430-F1458 HydrophobicContact CG1-CB 4.2Å; V1430-F1458 HydrophobicContact CG1-CD1 4.45Å; V1430-F1458 VanDerWaalsContact CG1-O 3.28Å; V1430-F1458 WeakPolarHBondContact CG1-O 3.4Å |
| 1431 | N | 69.3 | Low | 87.1 | Confident | 111.6 Ų | 111.6 | 54.5 Ų | 54.5 | 60% | 0.597 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 25.6 | -177.9 | -47.1 | -32.6 | 0 | 0 | 0 | 116.2 | P1433 | N1431-P1433 WeakPolarHBondContact O-CD 3.37Š|
| 1432 | D | 78.1 | Confident | 87 | Confident | 25.8 Ų | 25.8 | 58.8 Ų | 58.8 | 14% | 0.138 | 29% | 0.286 | C | S | . | . | trans | -81.5 | 114.4 | 165.3 | 176.5 | -0.8 | 0 | 0 | 0 | 110.2 | P1429 V1430 N1434 L1435 N1482 | P1429-D1432 HydrophobicContact CB-CB 4.49Å; P1429-D1432 HydrophobicContact CG-CB 3.91Å; V1430-D1432 VanDerWaalsContact C-N 3.34Å; V1430-D1432 PolarHBondContact O-N 3.27Å; D1432-N1434 PolarHBondContact O-N 3.09Å; D1432-N1434 VanDerWaalsContact O-N 3.08Å; D1432-N1434 WeakPolarHBondContact OD1-CA 3.28Å; D1432-N1434 WeakPolarHBondContact OD1-CB 3.26Å; D1432-N1434 PolarHBondContact OD1-N 3.15Å; D1432-N1434 PolarHBondContact OD1-ND2 2.93Å; D1432-N1434 VanDerWaalsContact OD1-ND2 3.08Å; D1432-L1435 HydrophobicContact CB-CB 4.16Å; D1432-L1435 VanDerWaalsContact O-CB 3.27Å; D1432-L1435 WeakPolarHBondContact O-CB 3.16Å; D1432-L1435 PolarHBondContact O-N 3.01Å; D1432-L1435 VanDerWaalsContact O-N 3.09Å; D1432-N1482 VanDerWaalsContact OD2-CB 3.23Å; D1432-N1482 WeakPolarHBondContact OD2-CB 3.34Å; D1432-N1482 PolarHBondContact OD2-ND2 2.97Å | ||
| 1433 | P | 74.7 | Confident | 86.6 | Confident | 98.4 Ų | 98.4 | 55.6 Ų | 55.6 | 64% | 0.639 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -1.8 | -177.3 | 31.8 | -37.3 | 0 | 0 | 0 | 113.7 | R1278 N1431 | R1278-P1433 PolarHBondContact NH1-O 2.87Å; R1278-P1433 PolarHBondContact NH2-O 3.02Å; N1431-P1433 WeakPolarHBondContact O-CD 3.37Å |
| 1434 | N | 79 | Confident | 86.1 | Confident | 50.2 Ų | 50.2 | 61.5 Ų | 61.5 | 27% | 0.268 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -3.2 | 172.7 | -51.4 | -83 | 0 | 0 | 0 | 112.6 | R1278 D1432 R1436 S1481 N1482 L1483 | R1278-N1434 PolarHBondContact NH1-OD1 3.19Å; R1278-N1434 PolarHBondContact NH2-OD1 3.31Å; D1432-N1434 PolarHBondContact O-N 3.09Å; D1432-N1434 VanDerWaalsContact O-N 3.08Å; D1432-N1434 WeakPolarHBondContact OD1-CA 3.28Å; D1432-N1434 WeakPolarHBondContact OD1-CB 3.26Å; D1432-N1434 PolarHBondContact OD1-N 3.15Å; D1432-N1434 PolarHBondContact OD1-ND2 2.93Å; D1432-N1434 VanDerWaalsContact OD1-ND2 3.08Å; N1434-R1436 PolarHBondContact O-N 3.04Å; N1434-R1436 VanDerWaalsContact O-N 3.14Å; N1434-S1481 VanDerWaalsContact O-O 3.04Å; N1434-N1482 HydrophobicContact CB-CB 4.34Å; N1434-L1483 HydrophobicContact CB-CD1 4.35Å; N1434-L1483 HydrophobicContact CB-CD2 4.45Å; N1434-L1483 HydrophobicContact CB-CG 3.85Å; N1434-L1483 WeakPolarHBondContact ND2-CD1 3.38Å; N1434-L1483 WeakPolarHBondContact OD1-CD1 3.27Å |
| 1435 | L | 85.1 | Confident | 85.9 | Confident | 40.6 Ų | 40.6 | 61.9 Ų | 61.9 | 21% | 0.213 | 33% | 0.328 | C | S | . | . | trans | -67.7 | 111 | 179.6 | -173.4 | 67 | 0 | 0 | 0 | 110.1 | P1403 V1427 D1432 I1437 A1480 S1481 | P1403-L1435 HydrophobicContact CB-CD1 4.11Å; V1427-L1435 HydrophobicContact CG1-CD2 3.95Å; V1427-L1435 HydrophobicContact CG2-CD1 4.31Å; V1427-L1435 HydrophobicContact CG2-CD2 4.47Å; D1432-L1435 HydrophobicContact CB-CB 4.16Å; D1432-L1435 VanDerWaalsContact O-CB 3.27Å; D1432-L1435 WeakPolarHBondContact O-CB 3.16Å; D1432-L1435 PolarHBondContact O-N 3.01Å; D1432-L1435 VanDerWaalsContact O-N 3.09Å; L1435-I1437 HydrophobicContact CD1-CD1 3.61Å; L1435-I1437 HydrophobicContact CD2-CD1 4.15Å; L1435-I1437 HydrophobicContact CG-CD1 4.19Å; L1435-A1480 HydrophobicContact CD1-CB 4.2Å; L1435-S1481 CarbonylContact C-O 3.56Å; L1435-S1481 WeakPolarHBondContact CA-O 3.37Å | ||
| 1436 | R | 87.1 | Confident | 85.7 | Confident | 171.6 Ų | 171.6 | 63.6 Ų | 63.6 | 65% | 0.648 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131.3 | 176.4 | -67.7 | 175.8 | 178.7 | -89.7 | -2.3 | 109.4 | N1434 A1480 S1481 K2319 | N1434-R1436 PolarHBondContact O-N 3.04Å; N1434-R1436 VanDerWaalsContact O-N 3.14Å; R1436-A1480 CarbonylContact O-C 3.51Å; R1436-A1480 VanDerWaalsContact O-CA 3.32Å; R1436-A1480 WeakPolarHBondContact O-CA 3.28Å; R1436-S1481 PolarHBondContact N-O 2.99Å; R1436-S1481 PolarHBondContact O-N 3.02Å; R1436-S1481 PolarHBondContact O-OG 2.95Å; R1436-S1481 VanDerWaalsContact O-OG 3.08Å; R1436-K2319 HydrophobicContact CB-CB 3.94Å; R1436-K2319 HydrophobicContact CB-CD 3.86Å; R1436-K2319 HydrophobicContact CB-CG 3.91Å; R1436-K2319 PolarHBondContact O-NZ 3.11Å |
| 1437 | I | 91.3 | Very high | 85.3 | Confident | 28.2 Ų | 28.2 | 68 Ų | 68 | 15% | 0.145 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 126.1 | 176.5 | -51.6 | -58.3 | 0 | 0 | 0 | 109.4 | V1427 L1435 N1456 V1461 C1478 K1479 A1480 K2319 Q2320 E2321 | V1427-I1437 HydrophobicContact CG1-CD1 4.25Å; L1435-I1437 HydrophobicContact CD1-CD1 3.61Å; L1435-I1437 HydrophobicContact CD2-CD1 4.15Å; L1435-I1437 HydrophobicContact CG-CD1 4.19Å; I1437-N1456 HydrophobicContact CB-CB 4.48Å; I1437-N1456 HydrophobicContact CG1-CB 4Å; I1437-V1461 HydrophobicContact CD1-CG2 4.04Å; I1437-V1461 HydrophobicContact CG1-CG1 4.39Å; I1437-V1461 HydrophobicContact CG1-CG2 4.03Å; I1437-V1461 HydrophobicContact CG2-CG1 3.69Å; I1437-V1461 HydrophobicContact CG2-CG2 4.48Å; I1437-C1478 WeakPolarHBondContact CG2-SG 3.31Å; I1437-K1479 CarbonylContact C-O 3.54Å; I1437-K1479 VanDerWaalsContact CA-O 3.29Å; I1437-K1479 WeakPolarHBondContact CA-O 3.35Å; I1437-K1479 WeakPolarHBondContact CG2-O 3.4Å; I1437-A1480 HydrophobicContact CD1-CB 3.67Å; I1437-K2319 CarbonylContact O-C 3.37Å; I1437-K2319 VanDerWaalsContact O-CA 3.23Å; I1437-K2319 WeakPolarHBondContact O-CA 3.37Å; I1437-K2319 WeakPolarHBondContact O-CB 3.41Å; I1437-K2319 VanDerWaalsContact O-CG 3.25Å; I1437-K2319 WeakPolarHBondContact O-CG 3.35Å; I1437-Q2320 CarbonylContact O-C 3.54Å; I1437-Q2320 WeakPolarHBondContact O-CA 3.45Å; I1437-Q2320 PolarHBondContact O-N 3.41Å; I1437-E2321 HydrophobicContact CB-CB 4.42Å; I1437-E2321 HydrophobicContact CB-CG 3.84Å; I1437-E2321 VanDerWaalsContact CB-OE1 3.25Å; I1437-E2321 WeakPolarHBondContact CB-OE1 3.45Å; I1437-E2321 VanDerWaalsContact CG1-CD 3.49Å; I1437-E2321 HydrophobicContact CG1-CG 4.31Å; I1437-E2321 WeakPolarHBondContact CG1-OE2 3.41Å; I1437-E2321 HydrophobicContact CG2-CG 4.23Å; I1437-E2321 WeakPolarHBondContact CG2-OE1 3.32Å |
| 1438 | E | 91.9 | Very high | 84.9 | Confident | 69.4 Ų | 69.4 | 72.1 Ų | 72.1 | 32% | 0.324 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 132.8 | 177.5 | -72.2 | 175.9 | 120.4 | 0 | 0 | 109.4 | F1440 C1478 K1479 P2318 K2319 | E1438-F1440 HydrophobicContact CB-CD2 4.39Å; E1438-F1440 HydrophobicContact CB-CE2 3.62Å; E1438-F1440 HydrophobicContact CB-CZ 4.22Å; E1438-F1440 HydrophobicContact CG-CD2 4.29Å; E1438-F1440 HydrophobicContact CG-CE2 3.52Å; E1438-F1440 HydrophobicContact CG-CZ 3.64Å; E1438-F1440 WeakPolarHBondContact OE2-CE2 3.39Å; E1438-F1440 VanDerWaalsContact OE2-CZ 3.28Å; E1438-F1440 WeakPolarHBondContact OE2-CZ 3.33Å; E1438-C1478 CarbonylContact O-C 3.46Å; E1438-C1478 WeakPolarHBondContact O-CA 3.35Å; E1438-K1479 HydrophobicContact CB-CB 4.22Å; E1438-K1479 HydrophobicContact CB-CD 4.42Å; E1438-K1479 PolarHBondContact N-O 3.06Å; E1438-K1479 PolarHBondContact O-N 2.99Å; E1438-K1479 VanDerWaalsContact OE2-CD 3.32Å; E1438-K1479 WeakPolarHBondContact OE2-CD 3.4Å; E1438-K1479 WeakPolarHBondContact OE2-CE 3.48Å; E1438-K1479 IonicContact OE2-NZ 3.3Å; E1438-K1479 PolarHBondContact OE2-NZ 2.85Å; E1438-P2318 WeakPolarHBondContact CG-O 3.46Å; E1438-K2319 HydrophobicContact CB-CD 4.28Å; E1438-K2319 HydrophobicContact CB-CG 3.61Å; E1438-K2319 HydrophobicContact CG-CB 4.41Å; E1438-K2319 HydrophobicContact CG-CD 4.25Å; E1438-K2319 HydrophobicContact CG-CG 3.67Å; E1438-K2319 VanDerWaalsContact OE1-CD 3.23Å; E1438-K2319 WeakPolarHBondContact OE1-CD 3.49Å; E1438-K2319 WeakPolarHBondContact OE1-CG 3.08Å; E1438-K2319 WeakPolarHBondContact OE2-CE 3.32Å |
| 1439 | W | 93.5 | Very high | 84.7 | Confident | 15.8 Ų | 15.8 | 72.6 Ų | 72.6 | 6% | 0.06 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 137.9 | 173.1 | -74.9 | 88.2 | 0 | 0 | 0 | 110.9 | L1409 F1423 L1446 V1454 V1461 Y1462 L1463 L1477 C1478 E2321 | L1409-W1439 HydrophobicContact CD1-CH2 4.22Å; L1409-W1439 HydrophobicContact CD1-CZ3 3.96Å; L1409-W1439 HydrophobicContact CD2-CH2 3.78Å; L1409-W1439 HydrophobicContact CD2-CZ3 4.28Å; F1423-W1439 HydrophobicContact CB-CH2 3.83Å; F1423-W1439 HydrophobicContact CB-CZ3 4.11Å; F1423-W1439 HydrophobicContact CG-CZ3 4.43Å; W1439-L1446 HydrophobicContact CB-CB 4.09Å; W1439-L1446 HydrophobicContact CB-CD2 4.15Å; W1439-L1446 WeakPolarHBondContact O-CB 3.4Å; W1439-L1446 PolarHBondContact O-N 3.18Å; W1439-V1454 VanDerWaalsContact CD1-CG1 3.42Å; W1439-V1454 HydrophobicContact CG-CG1 4.26Å; W1439-V1461 HydrophobicContact CH2-CG1 4.43Å; W1439-V1461 HydrophobicContact CZ2-CG1 3.85Å; W1439-Y1462 VanDerWaalsContact CZ2-C 3.41Å; W1439-Y1462 WeakPolarHBondContact CZ2-O 3.31Å; W1439-L1463 HydrophobicContact CB-CD1 4.19Å; W1439-L1463 HydrophobicContact CD2-CB 4.1Å; W1439-L1463 HydrophobicContact CD2-CD1 3.65Å; W1439-L1463 HydrophobicContact CD2-CD2 4.18Å; W1439-L1463 HydrophobicContact CD2-CG 4.43Å; W1439-L1463 HydrophobicContact CE3-CB 4.09Å; W1439-L1463 HydrophobicContact CE3-CD1 3.67Å; W1439-L1463 HydrophobicContact CE3-CD2 3.63Å; W1439-L1463 HydrophobicContact CE3-CG 4.39Å; W1439-L1463 HydrophobicContact CG-CD1 3.9Å; W1439-L1463 HydrophobicContact CH2-CB 3.5Å; W1439-L1463 VanDerWaalsContact CH2-CB 3.49Å; W1439-L1463 HydrophobicContact CH2-CD2 4.17Å; W1439-L1463 HydrophobicContact CH2-CG 4.47Å; W1439-L1463 HydrophobicContact CZ2-CB 3.52Å; W1439-L1463 VanDerWaalsContact CZ2-CB 3.46Å; W1439-L1463 HydrophobicContact CZ3-CB 3.81Å; W1439-L1463 HydrophobicContact CZ3-CD1 4.22Å; W1439-L1463 HydrophobicContact CZ3-CD2 3.62Å; W1439-L1463 HydrophobicContact CZ3-CG 4.41Å; W1439-L1477 CarbonylContact C-O 3.56Å; W1439-L1477 WeakPolarHBondContact CA-O 3.43Å; W1439-C1478 HydrophobicContact CD2-CB 4.14Å; W1439-C1478 HydrophobicContact CE3-CB 4.02Å; W1439-C1478 HydrophobicContact CH2-CB 4.07Å; W1439-C1478 HydrophobicContact CZ2-CB 4.14Å; W1439-C1478 HydrophobicContact CZ3-CB 4Å; W1439-E2321 VanDerWaalsContact NE1-CG 3.33Å |
| 1440 | F | 93.1 | Very high | 84.1 | Confident | 39.8 Ų | 39.8 | 78.1 Ų | 78.1 | 18% | 0.175 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143.1 | 175.3 | -58.8 | -103.5 | 0 | 0 | 0 | 110.1 | E1438 Q1444 P1445 Y1476 L1477 K1479 | E1438-F1440 HydrophobicContact CB-CD2 4.39Å; E1438-F1440 HydrophobicContact CB-CE2 3.62Å; E1438-F1440 HydrophobicContact CB-CZ 4.22Å; E1438-F1440 HydrophobicContact CG-CD2 4.29Å; E1438-F1440 HydrophobicContact CG-CE2 3.52Å; E1438-F1440 HydrophobicContact CG-CZ 3.64Å; E1438-F1440 WeakPolarHBondContact OE2-CE2 3.39Å; E1438-F1440 VanDerWaalsContact OE2-CZ 3.28Å; E1438-F1440 WeakPolarHBondContact OE2-CZ 3.33Å; F1440-Q1444 CarbonylContact C-O 3.55Å; F1440-Q1444 WeakPolarHBondContact CA-O 3.28Å; F1440-Q1444 WeakPolarHBondContact CB-O 3.29Å; F1440-P1445 HydrophobicContact CD1-CB 4.47Å; F1440-P1445 HydrophobicContact CD1-CG 4.21Å; F1440-P1445 HydrophobicContact CE1-CB 4.48Å; F1440-P1445 HydrophobicContact CE1-CG 4Å; F1440-Y1476 CarbonylContact O-C 3.57Å; F1440-Y1476 VanDerWaalsContact O-CA 3.3Å; F1440-Y1476 WeakPolarHBondContact O-CA 3.35Å; F1440-L1477 HydrophobicContact CB-CB 4.27Å; F1440-L1477 HydrophobicContact CB-CD2 4.36Å; F1440-L1477 HydrophobicContact CD2-CD2 3.67Å; F1440-L1477 HydrophobicContact CE2-CD2 4.28Å; F1440-L1477 HydrophobicContact CG-CD2 4.35Å; F1440-L1477 PolarHBondContact N-O 3.2Å; F1440-L1477 PolarHBondContact O-N 3.02Å; F1440-K1479 HydrophobicContact CE2-CB 4.08Å; F1440-K1479 HydrophobicContact CE2-CD 4.08Å; F1440-K1479 HydrophobicContact CZ-CD 4.42Å |
| 1441 | F | 91.7 | Very high | 84.7 | Confident | 41 Ų | 41 | 79.1 Ų | 79.1 | 18% | 0.18 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 122.2 | 171.5 | 171.9 | -118.4 | 0 | 0 | 0 | 109 | G1443 Q1444 L1446 H1471 D1472 S1473 Y1476 | F1441-G1443 PolarHBondContact O-N 2.89Å; F1441-G1443 VanDerWaalsContact O-N 3.11Å; F1441-Q1444 PolarHBondContact N-O 2.99Å; F1441-Q1444 PolarHBondContact O-N 2.96Å; F1441-L1446 HydrophobicContact CB-CB 4.34Å; F1441-L1446 HydrophobicContact CB-CD1 4.01Å; F1441-L1446 HydrophobicContact CB-CD2 4.27Å; F1441-L1446 HydrophobicContact CB-CG 4.44Å; F1441-H1471 WeakPolarHBondContact CE1-O 3.48Å; F1441-H1471 VanDerWaalsContact CZ-O 3.25Å; F1441-H1471 WeakPolarHBondContact CZ-O 3.35Å; F1441-D1472 VanDerWaalsContact CE2-O 3.27Å; F1441-D1472 WeakPolarHBondContact CE2-O 3.39Å; F1441-D1472 VanDerWaalsContact CZ-C 3.46Å; F1441-D1472 WeakPolarHBondContact CZ-O 3.34Å; F1441-S1473 WeakPolarHBondContact CZ-O 3.37Å; F1441-Y1476 HydrophobicContact CB-CD1 4.35Å; F1441-Y1476 HydrophobicContact CB-CE1 4.09Å; F1441-Y1476 HydrophobicContact CD2-CD1 4.18Å; F1441-Y1476 AromaticContact CD2-CD2 3.9Å; F1441-Y1476 HydrophobicContact CD2-CD2 3.98Å; F1441-Y1476 AromaticContact CD2-CE1 3.7Å; F1441-Y1476 HydrophobicContact CD2-CE1 3.7Å; F1441-Y1476 AromaticContact CD2-CE2 3.45Å; F1441-Y1476 HydrophobicContact CD2-CE2 3.45Å; F1441-Y1476 VanDerWaalsContact CD2-CE2 3.5Å; F1441-Y1476 HydrophobicContact CD2-CG 4.3Å; F1441-Y1476 AromaticContact CD2-CZ 3.29Å; F1441-Y1476 WeakPolarHBondContact CD2-OH 3.4Å; F1441-Y1476 HydrophobicContact CE2-CD2 4.38Å; F1441-Y1476 HydrophobicContact CE2-CE1 4.44Å; F1441-Y1476 AromaticContact CE2-CE2 3.58Å; F1441-Y1476 HydrophobicContact CE2-CE2 3.58Å; F1441-Y1476 VanDerWaalsContact CE2-CE2 3.46Å; F1441-Y1476 AromaticContact CE2-CZ 3.63Å; F1441-Y1476 WeakPolarHBondContact CE2-OH 3.07Å; F1441-Y1476 HydrophobicContact CG-CE1 4.15Å; F1441-Y1476 HydrophobicContact CG-CE2 4.38Å; F1441-Y1476 AromaticContact CG-CZ 3.96Å |
| 1442 | N | 88 | Confident | 85.7 | Confident | 90.4 Ų | 90.4 | 74.1 Ų | 74.1 | 48% | 0.483 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 36.3 | -174.8 | -67.7 | -33.6 | 0 | 0 | 0 | 113.2 | Q1444 S1473 G1474 V1475 | N1442-Q1444 VanDerWaalsContact C-N 3.3Å; N1442-Q1444 PolarHBondContact O-N 3.03Å; N1442-S1473 PolarHBondContact ND2-O 3.13Å; N1442-G1474 VanDerWaalsContact OD1-CA 3.27Å; N1442-G1474 WeakPolarHBondContact OD1-CA 3.36Å; N1442-V1475 PolarHBondContact N-O 3.12Å; N1442-V1475 PolarHBondContact OD1-N 3.14Å |
| 1443 | G | 83.1 | Confident | 86.2 | Confident | 57.6 Ų | 57.6 | 76.1 Ų | 76.1 | 59% | 0.594 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | -1.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | F1441 | F1441-G1443 PolarHBondContact O-N 2.89Å; F1441-G1443 VanDerWaalsContact O-N 3.11Å |
| 1444 | Q | 83.7 | Confident | 87 | Confident | 126.6 Ų | 126.6 | 73.5 Ų | 73.5 | 59% | 0.592 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 142.5 | 174 | -64.8 | -60.2 | -40.1 | 0 | 0 | 111.1 | F1440 F1441 N1442 L1446 | F1440-Q1444 CarbonylContact C-O 3.55Å; F1440-Q1444 WeakPolarHBondContact CA-O 3.28Å; F1440-Q1444 WeakPolarHBondContact CB-O 3.29Å; F1441-Q1444 PolarHBondContact N-O 2.99Å; F1441-Q1444 PolarHBondContact O-N 2.96Å; N1442-Q1444 VanDerWaalsContact C-N 3.3Å; N1442-Q1444 PolarHBondContact O-N 3.03Å; Q1444-L1446 PolarHBondContact O-N 2.99Å; Q1444-L1446 VanDerWaalsContact O-N 3.17Å |
| 1445 | P | 88.9 | Confident | 87.4 | Confident | 83.6 Ų | 83.6 | 72.1 Ų | 72.1 | 54% | 0.543 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 123 | 175.5 | -24 | 33.4 | 0 | 0 | 0 | 111.7 | F1440 R1447 | F1440-P1445 HydrophobicContact CD1-CB 4.47Å; F1440-P1445 HydrophobicContact CD1-CG 4.21Å; F1440-P1445 HydrophobicContact CE1-CB 4.48Å; F1440-P1445 HydrophobicContact CE1-CG 4Å; P1445-R1447 PolarHBondContact O-N 3.12Å |
| 1446 | L | 90.1 | Very high | 87.4 | Confident | 35.6 Ų | 35.6 | 74.7 Ų | 74.7 | 19% | 0.186 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 122.1 | -178.3 | -178 | 62.5 | 0 | 0 | 0 | 109.6 | W1439 F1441 Q1444 V1452 L1463 Y1476 | W1439-L1446 HydrophobicContact CB-CB 4.09Å; W1439-L1446 HydrophobicContact CB-CD2 4.15Å; W1439-L1446 WeakPolarHBondContact O-CB 3.4Å; W1439-L1446 PolarHBondContact O-N 3.18Å; F1441-L1446 HydrophobicContact CB-CB 4.34Å; F1441-L1446 HydrophobicContact CB-CD1 4.01Å; F1441-L1446 HydrophobicContact CB-CD2 4.27Å; F1441-L1446 HydrophobicContact CB-CG 4.44Å; Q1444-L1446 PolarHBondContact O-N 2.99Å; Q1444-L1446 VanDerWaalsContact O-N 3.17Å; L1446-V1452 HydrophobicContact CD1-CG1 4.21Å; L1446-V1452 HydrophobicContact CD2-CG1 3.97Å; L1446-V1452 HydrophobicContact CG-CG1 4.05Å; L1446-L1463 HydrophobicContact CD2-CD1 3.58Å; L1446-L1463 HydrophobicContact CD2-CD2 3.91Å; L1446-L1463 HydrophobicContact CD2-CG 4.41Å; L1446-L1463 HydrophobicContact CG-CD1 4.4Å; L1446-Y1476 HydrophobicContact CD1-CE1 4.35Å; L1446-Y1476 HydrophobicContact CD2-CD1 3.95Å; L1446-Y1476 HydrophobicContact CD2-CE1 3.79Å |
| 1447 | R | 84 | Confident | 87.1 | Confident | 196.6 Ų | 196.6 | 70.7 Ų | 70.7 | 74% | 0.742 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -87 | 127.8 | -179.4 | -63.6 | -172.3 | -176.3 | -152.2 | 0.5 | 110.8 | P1445 D1521 | P1445-R1447 PolarHBondContact O-N 3.12Å; R1447-D1521 IonicContact CZ-OD2 3.96Å; R1447-D1521 IonicContact NH1-OD2 3.51Å; R1447-D1521 IonicContact NH2-OD2 3.01Å; R1447-D1521 PolarHBondContact NH2-OD2 3.39Å |
| 1448 | P | 84.3 | Confident | 86.7 | Confident | 88.6 Ų | 88.6 | 77.1 Ų | 77.1 | 58% | 0.575 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 146.4 | 169.3 | -22.1 | 33.2 | 0 | 0 | 0 | 111.6 | V1452 V1454 | P1448-V1452 CarbonylContact C-O 3.52Å; P1448-V1452 WeakPolarHBondContact CA-O 3.36Å; P1448-V1454 HydrophobicContact CB-CG2 4.24Å; P1448-V1454 HydrophobicContact CG-CG2 3.85Å |
| 1449 | S | 82.3 | Confident | 86.2 | Confident | 56.4 Ų | 56.4 | 74.4 Ų | 74.4 | 39% | 0.394 | 39% | 0.393 | S | S | . | . | trans | -158.1 | 174.6 | 176.9 | 63.3 | 0 | 0 | 0 | 0 | 110.6 | R1451 V1452 | S1449-R1451 PolarHBondContact O-N 2.95Å; S1449-R1451 VanDerWaalsContact O-N 3.08Å; S1449-R1451 PolarHBondContact OG-N 3.09Å; S1449-V1452 PolarHBondContact N-O 2.91Å; S1449-V1452 CarbonylContact O-C 3.46Å; S1449-V1452 VanDerWaalsContact O-C 3.25Å; S1449-V1452 PolarHBondContact O-N 3.09Å; S1449-V1452 VanDerWaalsContact O-N 3.13Å; S1449-V1452 WeakPolarHBondContact OG-CB 3.28Å; S1449-V1452 PolarHBondContact OG-N 3.03Å; S1449-V1452 VanDerWaalsContact OG-N 3.09Å | ||
| 1450 | N | 72.4 | Confident | 86 | Confident | 148.8 Ų | 148.8 | 77.3 Ų | 77.3 | 80% | 0.796 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -53.8 | -27.9 | 172.2 | -6.1 | -14.1 | 0 | 0 | 0 | 112.9 | ||
| 1451 | R | 87.7 | Confident | 86 | Confident | 84.4 Ų | 84.4 | 75.4 Ų | 75.4 | 32% | 0.318 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -92.5 | -25.3 | 177.7 | -163.4 | -179.5 | 69.6 | 92.9 | 1.2 | 113.2 | S1449 I1465 A1466 G1467 D1472 | S1449-R1451 PolarHBondContact O-N 2.95Å; S1449-R1451 VanDerWaalsContact O-N 3.08Å; S1449-R1451 PolarHBondContact OG-N 3.09Å; R1451-I1465 CarbonylContact O-C 3.48Å; R1451-I1465 VanDerWaalsContact O-CA 3.28Å; R1451-I1465 WeakPolarHBondContact O-CA 3.28Å; R1451-A1466 WeakPolarHBondContact CD-O 3.43Å; R1451-A1466 HydrophobicContact CG-CB 4.41Å; R1451-A1466 WeakPolarHBondContact CG-O 3.08Å; R1451-A1466 PolarHBondContact O-N 3.02Å; R1451-G1467 WeakPolarHBondContact CD-O 3.35Å; R1451-G1467 PolarHBondContact NH1-O 2.83Å; R1451-D1472 IonicContact CZ-OD1 3.39Å; R1451-D1472 IonicContact CZ-OD2 3.52Å; R1451-D1472 VanDerWaalsContact NH1-CG 3.31Å; R1451-D1472 IonicContact NH1-OD1 3.32Å; R1451-D1472 PolarHBondContact NH1-OD1 2.84Å; R1451-D1472 VanDerWaalsContact NH1-OD1 3.1Å; R1451-D1472 IonicContact NH1-OD2 2.9Å; R1451-D1472 PolarHBondContact NH1-OD2 3.05Å; R1451-D1472 IonicContact NH2-OD1 2.88Å; R1451-D1472 PolarHBondContact NH2-OD1 2.96Å; R1451-D1472 IonicContact NH2-OD2 3.38Å; R1451-D1472 PolarHBondContact NH2-OD2 3.03Å |
| 1452 | V | 90 | Very high | 86.1 | Confident | 7.2 Ų | 7.2 | 76.9 Ų | 76.9 | 4% | 0.044 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 94.7 | -174.1 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | L1446 P1448 S1449 V1454 L1463 K1464 I1465 | L1446-V1452 HydrophobicContact CD1-CG1 4.21Å; L1446-V1452 HydrophobicContact CD2-CG1 3.97Å; L1446-V1452 HydrophobicContact CG-CG1 4.05Å; P1448-V1452 CarbonylContact C-O 3.52Å; P1448-V1452 WeakPolarHBondContact CA-O 3.36Å; S1449-V1452 PolarHBondContact N-O 2.91Å; S1449-V1452 CarbonylContact O-C 3.46Å; S1449-V1452 VanDerWaalsContact O-C 3.25Å; S1449-V1452 PolarHBondContact O-N 3.09Å; S1449-V1452 VanDerWaalsContact O-N 3.13Å; S1449-V1452 WeakPolarHBondContact OG-CB 3.28Å; S1449-V1452 PolarHBondContact OG-N 3.03Å; S1449-V1452 VanDerWaalsContact OG-N 3.09Å; V1452-V1454 HydrophobicContact CG1-CG2 4.4Å; V1452-L1463 HydrophobicContact CG1-CD1 3.79Å; V1452-L1463 HydrophobicContact CG1-CD2 4.39Å; V1452-L1463 HydrophobicContact CG1-CG 4.3Å; V1452-K1464 CarbonylContact C-O 3.55Å; V1452-K1464 WeakPolarHBondContact CA-O 3.21Å; V1452-I1465 HydrophobicContact CG2-CG1 4.49Å |
| 1453 | I | 88.4 | Confident | 86.3 | Confident | 68 Ų | 68 | 72.6 Ų | 72.6 | 35% | 0.349 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 128.5 | -175.2 | -59.9 | 166.8 | 0 | 0 | 0 | 108.6 | Y1462 L1463 K1464 | I1453-Y1462 HydrophobicContact CG2-CE2 4.47Å; I1453-L1463 CarbonylContact O-C 3.53Å; I1453-L1463 VanDerWaalsContact O-CA 3.31Å; I1453-L1463 WeakPolarHBondContact O-CA 3.32Å; I1453-K1464 HydrophobicContact CB-CB 4.35Å; I1453-K1464 HydrophobicContact CD1-CD 4.36Å; I1453-K1464 PolarHBondContact N-O 2.98Å; I1453-K1464 PolarHBondContact O-N 2.94Å |
| 1454 | V | 90.7 | Very high | 86.8 | Confident | 42.4 Ų | 42.4 | 72.8 Ų | 72.8 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.5 | 175.8 | -98.9 | 0 | 0 | 0 | 0 | 108.2 | W1439 P1448 V1452 Y1462 L1463 Q2320 P2322 | W1439-V1454 VanDerWaalsContact CD1-CG1 3.42Å; W1439-V1454 HydrophobicContact CG-CG1 4.26Å; P1448-V1454 HydrophobicContact CB-CG2 4.24Å; P1448-V1454 HydrophobicContact CG-CG2 3.85Å; V1452-V1454 HydrophobicContact CG1-CG2 4.4Å; V1454-Y1462 WeakPolarHBondContact CA-O 3.3Å; V1454-L1463 HydrophobicContact CG1-CB 4.33Å; V1454-L1463 HydrophobicContact CG1-CD1 3.74Å; V1454-L1463 HydrophobicContact CG1-CG 4.37Å; V1454-L1463 HydrophobicContact CG2-CD1 3.79Å; V1454-L1463 HydrophobicContact CG2-CG 4.27Å; V1454-Q2320 HydrophobicContact CG2-CG 4.13Å; V1454-P2322 VanDerWaalsContact C-CB 3.41Å; V1454-P2322 HydrophobicContact CB-CG 4.48Å |
| 1455 | S | 88 | Confident | 87.2 | Confident | 22.2 Ų | 22.2 | 66.8 Ų | 66.8 | 16% | 0.155 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 144.1 | 164.1 | 176.5 | 0 | 0 | 0 | 0 | 115.2 | D1457 Y1460 V1461 Y1462 E2321 P2322 | S1455-D1457 PolarHBondContact OG-OD2 2.75Å; S1455-Y1460 CarbonylContact C-O 3.53Å; S1455-Y1460 VanDerWaalsContact O-O 3.12Å; S1455-Y1460 PolarHBondContact OG-O 3.43Å; S1455-V1461 WeakPolarHBondContact O-CA 3.36Å; S1455-Y1462 VanDerWaalsContact CB-CE1 3.45Å; S1455-Y1462 PolarHBondContact N-O 3.11Å; S1455-Y1462 PolarHBondContact O-N 2.95Å; S1455-Y1462 VanDerWaalsContact OG-CE1 3.25Å; S1455-Y1462 WeakPolarHBondContact OG-CE1 3.33Å; S1455-E2321 WeakPolarHBondContact O-CB 3.43Å; S1455-E2321 VanDerWaalsContact O-CD 3.29Å; S1455-E2321 WeakPolarHBondContact O-CG 3.43Å; S1455-P2322 CarbonylContact C-O 3.49Å; S1455-P2322 WeakPolarHBondContact CA-O 3.48Å; S1455-P2322 WeakPolarHBondContact O-CD 3.44Å |
| 1456 | N | 85.1 | Confident | 87 | Confident | 95 Ų | 95 | 65.1 Ų | 65.1 | 51% | 0.508 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 78.9 | 179.4 | 54.6 | -92.4 | 0 | 0 | 0 | 111 | I1437 Y1460 V1461 E2321 P2322 | I1437-N1456 HydrophobicContact CB-CB 4.48Å; I1437-N1456 HydrophobicContact CG1-CB 4Å; N1456-Y1460 CarbonylContact C-O 3.48Å; N1456-Y1460 VanDerWaalsContact CA-O 3.31Å; N1456-Y1460 WeakPolarHBondContact CA-O 3.3Å; N1456-V1461 HydrophobicContact CB-CG2 4.03Å; N1456-E2321 WeakPolarHBondContact CA-OE2 3.34Å; N1456-E2321 HydrophobicContact CB-CB 3.36Å; N1456-E2321 HydrophobicContact CB-CG 4.32Å; N1456-E2321 WeakPolarHBondContact CB-OE2 3.2Å; N1456-E2321 VanDerWaalsContact OD1-CA 3.25Å; N1456-E2321 WeakPolarHBondContact OD1-CA 3.36Å; N1456-E2321 WeakPolarHBondContact OD1-CB 2.99Å; N1456-E2321 PolarHBondContact OD1-N 2.92Å; N1456-E2321 PolarHBondContact OD1-O 3.18Å; N1456-P2322 CarbonylContact C-O 3.59Å; N1456-P2322 PolarHBondContact N-O 3.2Å |
| 1457 | D | 81.3 | Confident | 86.8 | Confident | 88 Ų | 88 | 64.3 Ų | 64.3 | 47% | 0.471 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124.1 | -175.4 | -103.1 | -25.4 | 0 | 0 | 0 | 111.1 | S1455 G1459 Y1460 A2323 P2324 | S1455-D1457 PolarHBondContact OG-OD2 2.75Å; D1457-G1459 PolarHBondContact O-N 3.03Å; D1457-G1459 VanDerWaalsContact O-N 3.09Å; D1457-Y1460 PolarHBondContact N-O 3.14Å; D1457-Y1460 WeakPolarHBondContact O-CA 3.37Å; D1457-Y1460 VanDerWaalsContact O-CB 3.3Å; D1457-Y1460 WeakPolarHBondContact O-CB 3.35Å; D1457-Y1460 PolarHBondContact O-N 3.25Å; D1457-A2323 HydrophobicContact CB-CB 3.86Å; D1457-P2324 WeakPolarHBondContact OD2-CB 3.43Å |
| 1458 | F | 82.5 | Confident | 86.9 | Confident | 161.2 Ų | 161.2 | 55 Ų | 55 | 71% | 0.707 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.3 | 40.6 | -178.9 | -60.5 | -80.9 | 0 | 0 | 0 | 114.9 | V1430 Y1460 | V1430-F1458 VanDerWaalsContact CG1-C 3.47Å; V1430-F1458 HydrophobicContact CG1-CB 4.2Å; V1430-F1458 HydrophobicContact CG1-CD1 4.45Å; V1430-F1458 VanDerWaalsContact CG1-O 3.28Å; V1430-F1458 WeakPolarHBondContact CG1-O 3.4Å; F1458-Y1460 VanDerWaalsContact C-N 3.26Å; F1458-Y1460 PolarHBondContact O-N 3.12Å |
| 1459 | G | 81.2 | Confident | 87 | Confident | 12.6 Ų | 12.6 | 53 Ų | 53 | 13% | 0.13 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 0.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R1426 V1427 D1457 | R1426-G1459 CarbonylContact C-O 3.49Å; R1426-G1459 VanDerWaalsContact CA-O 3.29Å; R1426-G1459 WeakPolarHBondContact CA-O 3.26Å; V1427-G1459 PolarHBondContact N-O 3.06Å; V1427-G1459 WeakPolarHBondContact O-CA 3.13Å; D1457-G1459 PolarHBondContact O-N 3.03Å; D1457-G1459 VanDerWaalsContact O-N 3.09Å |
| 1460 | Y | 90.6 | Very high | 87.1 | Confident | 76.4 Ų | 76.4 | 53.7 Ų | 53.7 | 30% | 0.3 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 123.6 | 165.5 | -175.7 | -108.7 | 0 | 0 | 0 | 109.7 | E1424 R1426 S1455 N1456 D1457 F1458 Y1462 | E1424-Y1460 HydrophobicContact CB-CE2 4.38Å; E1424-Y1460 PolarHBondContact OE2-OH 3.34Å; R1426-Y1460 HydrophobicContact CG-CD2 4Å; S1455-Y1460 CarbonylContact C-O 3.53Å; S1455-Y1460 VanDerWaalsContact O-O 3.12Å; S1455-Y1460 PolarHBondContact OG-O 3.43Å; N1456-Y1460 CarbonylContact C-O 3.48Å; N1456-Y1460 VanDerWaalsContact CA-O 3.31Å; N1456-Y1460 WeakPolarHBondContact CA-O 3.3Å; D1457-Y1460 PolarHBondContact N-O 3.14Å; D1457-Y1460 WeakPolarHBondContact O-CA 3.37Å; D1457-Y1460 VanDerWaalsContact O-CB 3.3Å; D1457-Y1460 WeakPolarHBondContact O-CB 3.35Å; D1457-Y1460 PolarHBondContact O-N 3.25Å; F1458-Y1460 VanDerWaalsContact C-N 3.26Å; F1458-Y1460 PolarHBondContact O-N 3.12Å; Y1460-Y1462 HydrophobicContact CD1-CD1 4.17Å; Y1460-Y1462 AromaticContact CE1-CD1 3.75Å; Y1460-Y1462 HydrophobicContact CE1-CD1 3.75Å; Y1460-Y1462 HydrophobicContact CE1-CE1 4.29Å; Y1460-Y1462 HydrophobicContact CE1-CG 4.34Å |
| 1461 | V | 92.3 | Very high | 87.7 | Confident | 1.2 Ų | 1.2 | 52.8 Ų | 52.8 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 125.2 | -173.2 | 175.5 | 0 | 0 | 0 | 0 | 109 | E1424 C1425 V1427 I1437 W1439 S1455 N1456 E2321 | E1424-V1461 CarbonylContact C-O 3.56Å; E1424-V1461 VanDerWaalsContact CA-O 3.3Å; E1424-V1461 WeakPolarHBondContact CA-O 3.45Å; C1425-V1461 HydrophobicContact CB-CB 4.31Å; C1425-V1461 PolarHBondContact N-O 2.95Å; C1425-V1461 WeakPolarHBondContact O-CA 3.47Å; C1425-V1461 WeakPolarHBondContact O-CB 3.26Å; C1425-V1461 PolarHBondContact O-N 2.89Å; C1425-V1461 VanDerWaalsContact O-O 3.12Å; C1425-V1461 VanDerWaalsContact SG-CB 3.5Å; C1425-V1461 WeakPolarHBondContact SG-CG1 3.31Å; C1425-V1461 PolarHBondContact SG-O 3.3Å; V1427-V1461 HydrophobicContact CB-CG2 4.48Å; V1427-V1461 HydrophobicContact CG1-CG2 3.9Å; I1437-V1461 HydrophobicContact CD1-CG2 4.04Å; I1437-V1461 HydrophobicContact CG1-CG1 4.39Å; I1437-V1461 HydrophobicContact CG1-CG2 4.03Å; I1437-V1461 HydrophobicContact CG2-CG1 3.69Å; I1437-V1461 HydrophobicContact CG2-CG2 4.48Å; W1439-V1461 HydrophobicContact CH2-CG1 4.43Å; W1439-V1461 HydrophobicContact CZ2-CG1 3.85Å; S1455-V1461 WeakPolarHBondContact O-CA 3.36Å; N1456-V1461 HydrophobicContact CB-CG2 4.03Å; V1461-E2321 HydrophobicContact CG1-CG 4.42Å; V1461-E2321 WeakPolarHBondContact CG1-OE1 3.43Å; V1461-E2321 WeakPolarHBondContact CG2-OE1 3.37Å; V1461-E2321 WeakPolarHBondContact CG2-OE2 3.41Å |
| 1462 | Y | 93.1 | Very high | 87.8 | Confident | 71.4 Ų | 71.4 | 49.3 Ų | 49.3 | 28% | 0.28 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 158 | 176 | 80.8 | -95.6 | 0 | 0 | 0 | 113.9 | F1423 W1439 I1453 V1454 S1455 Y1460 K1464 P2322 A2323 | F1423-Y1462 CarbonylContact O-C 3.54Å; F1423-Y1462 WeakPolarHBondContact O-CA 3.28Å; F1423-Y1462 WeakPolarHBondContact O-CB 3.48Å; W1439-Y1462 VanDerWaalsContact CZ2-C 3.41Å; W1439-Y1462 WeakPolarHBondContact CZ2-O 3.31Å; I1453-Y1462 HydrophobicContact CG2-CE2 4.47Å; V1454-Y1462 WeakPolarHBondContact CA-O 3.3Å; S1455-Y1462 VanDerWaalsContact CB-CE1 3.45Å; S1455-Y1462 PolarHBondContact N-O 3.11Å; S1455-Y1462 PolarHBondContact O-N 2.95Å; S1455-Y1462 VanDerWaalsContact OG-CE1 3.25Å; S1455-Y1462 WeakPolarHBondContact OG-CE1 3.33Å; Y1460-Y1462 HydrophobicContact CD1-CD1 4.17Å; Y1460-Y1462 AromaticContact CE1-CD1 3.75Å; Y1460-Y1462 HydrophobicContact CE1-CD1 3.75Å; Y1460-Y1462 HydrophobicContact CE1-CE1 4.29Å; Y1460-Y1462 HydrophobicContact CE1-CG 4.34Å; Y1462-K1464 HydrophobicContact CD2-CB 4.45Å; Y1462-K1464 HydrophobicContact CE2-CB 4.32Å; Y1462-P2322 HydrophobicContact CD1-CG 4.1Å; Y1462-P2322 HydrophobicContact CD2-CG 3.47Å; Y1462-P2322 VanDerWaalsContact CD2-CG 3.47Å; Y1462-P2322 HydrophobicContact CE1-CB 3.93Å; Y1462-P2322 HydrophobicContact CE1-CG 4.13Å; Y1462-P2322 HydrophobicContact CE2-CB 3.88Å; Y1462-P2322 HydrophobicContact CE2-CG 3.47Å; Y1462-P2322 VanDerWaalsContact CE2-CG 3.47Å; Y1462-P2322 HydrophobicContact CG-CG 3.75Å; Y1462-P2322 WeakPolarHBondContact O-CD 3.47Å; Y1462-P2322 WeakPolarHBondContact O-CG 3.08Å; Y1462-A2323 WeakPolarHBondContact CE1-O 3.23Å; Y1462-A2323 PolarHBondContact OH-O 2.77Å |
| 1463 | L | 93.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 127.9 | 171.7 | 169.5 | 99.7 | 0 | 0 | 0 | 108.7 | Y1422 F1423 W1439 L1446 V1452 I1453 V1454 I1465 Y1476 | Y1422-L1463 WeakPolarHBondContact CA-O 3.4Å; F1423-L1463 HydrophobicContact CB-CB 4.23Å; F1423-L1463 HydrophobicContact CB-CD2 4.36Å; F1423-L1463 HydrophobicContact CD2-CD2 3.96Å; F1423-L1463 HydrophobicContact CD2-CG 4.34Å; F1423-L1463 HydrophobicContact CE2-CD2 4.48Å; F1423-L1463 HydrophobicContact CG-CD2 4.37Å; F1423-L1463 PolarHBondContact N-O 3.03Å; F1423-L1463 PolarHBondContact O-N 3.03Å; W1439-L1463 HydrophobicContact CB-CD1 4.19Å; W1439-L1463 HydrophobicContact CD2-CB 4.1Å; W1439-L1463 HydrophobicContact CD2-CD1 3.65Å; W1439-L1463 HydrophobicContact CD2-CD2 4.18Å; W1439-L1463 HydrophobicContact CD2-CG 4.43Å; W1439-L1463 HydrophobicContact CE3-CB 4.09Å; W1439-L1463 HydrophobicContact CE3-CD1 3.67Å; W1439-L1463 HydrophobicContact CE3-CD2 3.63Å; W1439-L1463 HydrophobicContact CE3-CG 4.39Å; W1439-L1463 HydrophobicContact CG-CD1 3.9Å; W1439-L1463 HydrophobicContact CH2-CB 3.5Å; W1439-L1463 VanDerWaalsContact CH2-CB 3.49Å; W1439-L1463 HydrophobicContact CH2-CD2 4.17Å; W1439-L1463 HydrophobicContact CH2-CG 4.47Å; W1439-L1463 HydrophobicContact CZ2-CB 3.52Å; W1439-L1463 VanDerWaalsContact CZ2-CB 3.46Å; W1439-L1463 HydrophobicContact CZ3-CB 3.81Å; W1439-L1463 HydrophobicContact CZ3-CD1 4.22Å; W1439-L1463 HydrophobicContact CZ3-CD2 3.62Å; W1439-L1463 HydrophobicContact CZ3-CG 4.41Å; L1446-L1463 HydrophobicContact CD2-CD1 3.58Å; L1446-L1463 HydrophobicContact CD2-CD2 3.91Å; L1446-L1463 HydrophobicContact CD2-CG 4.41Å; L1446-L1463 HydrophobicContact CG-CD1 4.4Å; V1452-L1463 HydrophobicContact CG1-CD1 3.79Å; V1452-L1463 HydrophobicContact CG1-CD2 4.39Å; V1452-L1463 HydrophobicContact CG1-CG 4.3Å; I1453-L1463 CarbonylContact O-C 3.53Å; I1453-L1463 VanDerWaalsContact O-CA 3.31Å; I1453-L1463 WeakPolarHBondContact O-CA 3.32Å; V1454-L1463 HydrophobicContact CG1-CB 4.33Å; V1454-L1463 HydrophobicContact CG1-CD1 3.74Å; V1454-L1463 HydrophobicContact CG1-CG 4.37Å; V1454-L1463 HydrophobicContact CG2-CD1 3.79Å; V1454-L1463 HydrophobicContact CG2-CG 4.27Å; L1463-I1465 HydrophobicContact CD1-CG1 4.46Å; L1463-I1465 HydrophobicContact CD2-CD1 4.25Å; L1463-I1465 HydrophobicContact CD2-CG1 3.74Å; L1463-Y1476 HydrophobicContact CD2-CD1 3.85Å; L1463-Y1476 VanDerWaalsContact CD2-CD1 3.47Å; L1463-Y1476 HydrophobicContact CD2-CE1 4.06Å; L1463-Y1476 HydrophobicContact CD2-CG 4.33Å |
| 1464 | K | 92.6 | Very high | 87.9 | Confident | 63.6 Ų | 63.6 | 48.4 Ų | 48.4 | 28% | 0.277 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 126.7 | 176.1 | 174.4 | -177.6 | -179.8 | 170.6 | 0 | 109.8 | A1421 Y1422 V1452 I1453 Y1462 | A1421-K1464 WeakPolarHBondContact O-CA 3.22Å; Y1422-K1464 HydrophobicContact CD1-CB 4.16Å; Y1422-K1464 HydrophobicContact CD1-CD 4.33Å; Y1422-K1464 HydrophobicContact CD1-CG 4.05Å; Y1422-K1464 HydrophobicContact CE1-CB 4.23Å; Y1422-K1464 HydrophobicContact CE1-CD 3.6Å; Y1422-K1464 HydrophobicContact CE1-CG 3.71Å; Y1422-K1464 VanDerWaalsContact OH-CE 3.26Å; Y1422-K1464 WeakPolarHBondContact OH-CE 3.39Å; Y1422-K1464 PolarHBondContact OH-NZ 3.13Å; V1452-K1464 CarbonylContact C-O 3.55Å; V1452-K1464 WeakPolarHBondContact CA-O 3.21Å; I1453-K1464 HydrophobicContact CB-CB 4.35Å; I1453-K1464 HydrophobicContact CD1-CD 4.36Å; I1453-K1464 PolarHBondContact N-O 2.98Å; I1453-K1464 PolarHBondContact O-N 2.94Å; Y1462-K1464 HydrophobicContact CD2-CB 4.45Å; Y1462-K1464 HydrophobicContact CE2-CB 4.32Å |
| 1465 | I | 93.3 | Very high | 88 | Confident | 0.4 Ų | 0.4 | 49.9 Ų | 49.9 | 0% | 0.002 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 115 | 168.7 | -55.8 | 174.1 | 0 | 0 | 0 | 106.8 | P1420 A1421 R1451 V1452 L1463 G1467 C1468 D1472 Y1476 L1493 | P1420-I1465 CarbonylContact C-O 3.51Å; P1420-I1465 WeakPolarHBondContact CA-O 3.39Å; P1420-I1465 VanDerWaalsContact CB-O 3.26Å; P1420-I1465 WeakPolarHBondContact CB-O 3.33Å; A1421-I1465 HydrophobicContact CB-CB 4.46Å; A1421-I1465 PolarHBondContact N-O 3.03Å; A1421-I1465 PolarHBondContact O-N 3.08Å; R1451-I1465 CarbonylContact O-C 3.48Å; R1451-I1465 VanDerWaalsContact O-CA 3.28Å; R1451-I1465 WeakPolarHBondContact O-CA 3.28Å; V1452-I1465 HydrophobicContact CG2-CG1 4.49Å; L1463-I1465 HydrophobicContact CD1-CG1 4.46Å; L1463-I1465 HydrophobicContact CD2-CD1 4.25Å; L1463-I1465 HydrophobicContact CD2-CG1 3.74Å; I1465-G1467 VanDerWaalsContact C-N 3.32Å; I1465-G1467 PolarHBondContact O-N 3.15Å; I1465-C1468 VanDerWaalsContact CG2-SG 3.57Å; I1465-D1472 HydrophobicContact CD1-CB 4.41Å; I1465-Y1476 HydrophobicContact CD1-CE1 3.97Å; I1465-Y1476 HydrophobicContact CD1-CE2 4.37Å; I1465-Y1476 VanDerWaalsContact CD1-OH 3.27Å; I1465-Y1476 WeakPolarHBondContact CD1-OH 3.4Å; I1465-L1493 HydrophobicContact CD1-CD2 3.88Å |
| 1466 | A | 84.4 | Confident | 88.3 | Confident | 46.2 Ų | 46.2 | 48.9 Ų | 48.9 | 38% | 0.382 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -74.3 | -12 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1451 | R1451-A1466 WeakPolarHBondContact CD-O 3.43Å; R1451-A1466 HydrophobicContact CG-CB 4.41Å; R1451-A1466 WeakPolarHBondContact CG-O 3.08Å; R1451-A1466 PolarHBondContact O-N 3.02Å |
| 1467 | G | 84.4 | Confident | 88.8 | Confident | 20 Ų | 20 | 46.6 Ų | 46.6 | 21% | 0.206 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -173.3 | 112.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110 | G1418 A1419 R1451 I1465 | G1418-G1467 WeakPolarHBondContact O-CA 3.44Å; A1419-G1467 CarbonylContact O-C 3.36Å; A1419-G1467 WeakPolarHBondContact O-CA 3.17Å; R1451-G1467 WeakPolarHBondContact CD-O 3.35Å; R1451-G1467 PolarHBondContact NH1-O 2.83Å; I1465-G1467 VanDerWaalsContact C-N 3.32Å; I1465-G1467 PolarHBondContact O-N 3.15Å |
| 1468 | C | 87.5 | Confident | 89.4 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | trans | -84.4 | 146.1 | -175.2 | -66.3 | 0 | 0 | 0 | 0 | 112.2 | V1415 E1417 G1418 A1419 A1421 I1465 D1472 V1495 | V1415-C1468 HydrophobicContact CG1-CB 4.04Å; E1417-C1468 CarbonylContact C-O 3.57Å; E1417-C1468 WeakPolarHBondContact CA-O 3.29Å; G1418-C1468 PolarHBondContact N-O 3.09Å; A1419-C1468 VanDerWaalsContact O-CB 3.31Å; A1419-C1468 WeakPolarHBondContact O-CB 3.33Å; A1419-C1468 PolarHBondContact O-N 3.07Å; A1419-C1468 PolarHBondContact O-SG 2.91Å; A1419-C1468 VanDerWaalsContact O-SG 3.39Å; A1421-C1468 WeakPolarHBondContact CB-SG 3.25Å; I1465-C1468 VanDerWaalsContact CG2-SG 3.57Å; C1468-D1472 WeakPolarHBondContact CA-OD2 3.17Å; C1468-V1495 HydrophobicContact CB-CG1 4.14Å; C1468-V1495 HydrophobicContact CB-CG2 3.9Å | ||
| 1469 | T | 85.9 | Confident | 89.9 | Confident | 47.2 Ų | 47.2 | 36.4 Ų | 36.4 | 29% | 0.29 | 20% | 0.2 | S | C | . | . | trans | -119.2 | 163.9 | 173.6 | 64.7 | 0 | 0 | 0 | 0 | 109.2 | E1417 H1471 D1472 V1495 | E1417-T1469 VanDerWaalsContact OE1-CA 3.32Å; E1417-T1469 WeakPolarHBondContact OE1-CA 3.23Å; T1469-H1471 PolarHBondContact O-N 3.09Å; T1469-H1471 PolarHBondContact OG1-N 2.97Å; T1469-D1472 WeakPolarHBondContact CB-OD2 3.4Å; T1469-D1472 PolarHBondContact N-OD2 2.92Å; T1469-D1472 WeakPolarHBondContact O-CB 3.25Å; T1469-D1472 PolarHBondContact O-N 2.84Å; T1469-D1472 PolarHBondContact OG1-N 2.79Å; T1469-D1472 PolarHBondContact OG1-OD2 3.04Å; T1469-V1495 WeakPolarHBondContact O-CB 3.04Å; T1469-V1495 WeakPolarHBondContact O-CG1 3.24Å; T1469-V1495 WeakPolarHBondContact O-CG2 3.41Å | ||
| 1470 | I | 84 | Confident | 90.4 | Very high | 71.4 Ų | 71.4 | 35.8 Ų | 35.8 | 37% | 0.366 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -52.9 | -29.2 | 173.2 | 56.9 | 169.9 | 0 | 0 | 0 | 113.1 | E1417 D1472 S1473 | E1417-I1470 PolarHBondContact OE1-N 2.94Å; I1470-D1472 VanDerWaalsContact C-N 3.3Å; I1470-D1472 PolarHBondContact O-N 3.07Å; I1470-S1473 VanDerWaalsContact O-CB 3.29Å; I1470-S1473 WeakPolarHBondContact O-CB 3.42Å; I1470-S1473 PolarHBondContact O-N 3.18Å; I1470-S1473 VanDerWaalsContact O-N 3.13Å; I1470-S1473 PolarHBondContact O-OG 3.02Å; I1470-S1473 VanDerWaalsContact O-OG 3.1Å |
| 1471 | H | 85.4 | Confident | 90.3 | Very high | 128.8 Ų | 128.8 | 32.8 Ų | 32.8 | 60% | 0.596 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -76.3 | -11.6 | 179.6 | -58.1 | -59 | 0 | 0 | 0 | 114.6 | F1441 T1469 S1473 Y1511 | F1441-H1471 WeakPolarHBondContact CE1-O 3.48Å; F1441-H1471 VanDerWaalsContact CZ-O 3.25Å; F1441-H1471 WeakPolarHBondContact CZ-O 3.35Å; T1469-H1471 PolarHBondContact O-N 3.09Å; T1469-H1471 PolarHBondContact OG1-N 2.97Å; H1471-S1473 VanDerWaalsContact C-N 3.32Å; H1471-Y1511 PolarHBondContact CD2-OH 3.11Å; H1471-Y1511 AromaticContact CE1-CE1 3.99Å; H1471-Y1511 AromaticContact CE1-CZ 3.47Å; H1471-Y1511 VanDerWaalsContact CE1-CZ 3.47Å; H1471-Y1511 PolarHBondContact CE1-OH 3.22Å; H1471-Y1511 VanDerWaalsContact CG-OH 3.29Å; H1471-Y1511 AromaticContact ND1-CZ 3.9Å; H1471-Y1511 PolarHBondContact ND1-OH 3.14Å; H1471-Y1511 AromaticContact NE2-CZ 3.62Å; H1471-Y1511 PolarHBondContact NE2-OH 2.93Å |
| 1472 | D | 89.4 | Confident | 90 | Very high | 10.2 Ų | 10.2 | 33.7 Ų | 33.7 | 6% | 0.055 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -83.5 | -8.7 | 170.9 | -60.1 | -68.6 | 0 | 0 | 0 | 112.3 | F1441 R1451 I1465 C1468 T1469 I1470 G1474 Y1476 L1493 V1495 | F1441-D1472 VanDerWaalsContact CE2-O 3.27Å; F1441-D1472 WeakPolarHBondContact CE2-O 3.39Å; F1441-D1472 VanDerWaalsContact CZ-C 3.46Å; F1441-D1472 WeakPolarHBondContact CZ-O 3.34Å; R1451-D1472 IonicContact CZ-OD1 3.39Å; R1451-D1472 IonicContact CZ-OD2 3.52Å; R1451-D1472 VanDerWaalsContact NH1-CG 3.31Å; R1451-D1472 IonicContact NH1-OD1 3.32Å; R1451-D1472 PolarHBondContact NH1-OD1 2.84Å; R1451-D1472 VanDerWaalsContact NH1-OD1 3.1Å; R1451-D1472 IonicContact NH1-OD2 2.9Å; R1451-D1472 PolarHBondContact NH1-OD2 3.05Å; R1451-D1472 IonicContact NH2-OD1 2.88Å; R1451-D1472 PolarHBondContact NH2-OD1 2.96Å; R1451-D1472 IonicContact NH2-OD2 3.38Å; R1451-D1472 PolarHBondContact NH2-OD2 3.03Å; I1465-D1472 HydrophobicContact CD1-CB 4.41Å; C1468-D1472 WeakPolarHBondContact CA-OD2 3.17Å; T1469-D1472 WeakPolarHBondContact CB-OD2 3.4Å; T1469-D1472 PolarHBondContact N-OD2 2.92Å; T1469-D1472 WeakPolarHBondContact O-CB 3.25Å; T1469-D1472 PolarHBondContact O-N 2.84Å; T1469-D1472 PolarHBondContact OG1-N 2.79Å; T1469-D1472 PolarHBondContact OG1-OD2 3.04Å; I1470-D1472 VanDerWaalsContact C-N 3.3Å; I1470-D1472 PolarHBondContact O-N 3.07Å; D1472-G1474 PolarHBondContact O-N 2.97Å; D1472-Y1476 VanDerWaalsContact O-CE2 3.31Å; D1472-Y1476 WeakPolarHBondContact O-CE2 3.28Å; D1472-Y1476 PolarHBondContact O-OH 3.04Å; D1472-L1493 HydrophobicContact CB-CD2 3.96Å; D1472-L1493 WeakPolarHBondContact O-CD2 3.38Å; D1472-V1495 HydrophobicContact CB-CG2 4.3Å |
| 1473 | S | 90.1 | Very high | 89.2 | Confident | 41.8 Ų | 41.8 | 36.1 Ų | 36.1 | 29% | 0.292 | 21% | 0.206 | S | C | . | . | trans | -64.1 | 130.7 | 174.2 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | F1441 N1442 I1470 H1471 L1493 V1495 | F1441-S1473 WeakPolarHBondContact CZ-O 3.37Å; N1442-S1473 PolarHBondContact ND2-O 3.13Å; I1470-S1473 VanDerWaalsContact O-CB 3.29Å; I1470-S1473 WeakPolarHBondContact O-CB 3.42Å; I1470-S1473 PolarHBondContact O-N 3.18Å; I1470-S1473 VanDerWaalsContact O-N 3.13Å; I1470-S1473 PolarHBondContact O-OG 3.02Å; I1470-S1473 VanDerWaalsContact O-OG 3.1Å; H1471-S1473 VanDerWaalsContact C-N 3.32Å; S1473-L1493 VanDerWaalsContact CA-O 3.3Å; S1473-L1493 WeakPolarHBondContact CA-O 3.37Å; S1473-V1495 WeakPolarHBondContact OG-CB 3.32Å; S1473-V1495 PolarHBondContact OG-N 3.09Å; S1473-V1495 VanDerWaalsContact OG-N 3.1Å | ||
| 1474 | G | 89.9 | Confident | 88.3 | Confident | 16.4 Ų | 16.4 | 39 Ų | 39 | 17% | 0.169 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155 | -170.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1442 D1472 S1492 L1493 | N1442-G1474 VanDerWaalsContact OD1-CA 3.27Å; N1442-G1474 WeakPolarHBondContact OD1-CA 3.36Å; D1472-G1474 PolarHBondContact O-N 2.97Å; G1474-S1492 CarbonylContact O-C 3.56Å; G1474-S1492 VanDerWaalsContact O-CA 3.29Å; G1474-S1492 WeakPolarHBondContact O-CA 3.24Å; G1474-L1493 PolarHBondContact N-O 3.13Å; G1474-L1493 PolarHBondContact O-N 2.86Å |
| 1475 | V | 92.8 | Very high | 87.8 | Confident | 72 Ų | 72 | 37.6 Ų | 37.6 | 44% | 0.436 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 118.3 | -178.5 | -177.1 | 0 | 0 | 0 | 0 | 110 | N1442 T1490 A1491 | N1442-V1475 PolarHBondContact N-O 3.12Å; N1442-V1475 PolarHBondContact OD1-N 3.14Å; V1475-T1490 HydrophobicContact CG1-CG2 4.49Å; V1475-A1491 CarbonylContact C-O 3.5Å; V1475-A1491 WeakPolarHBondContact CA-O 3.38Å |
| 1476 | Y | 94.6 | Very high | 87.5 | Confident | 1.8 Ų | 1.8 | 43.6 Ų | 43.6 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 131.4 | 170 | -69.2 | -97.6 | 0 | 0 | 0 | 109.3 | F1423 F1440 F1441 L1446 L1463 I1465 D1472 T1490 A1491 L1493 | F1423-Y1476 HydrophobicContact CD2-CD1 4.38Å; F1423-Y1476 HydrophobicContact CD2-CD2 4.41Å; F1423-Y1476 HydrophobicContact CD2-CG 4.29Å; F1423-Y1476 HydrophobicContact CE1-CD2 4.45Å; F1423-Y1476 HydrophobicContact CE2-CD1 4.27Å; F1423-Y1476 AromaticContact CE2-CD2 3.6Å; F1423-Y1476 HydrophobicContact CE2-CD2 3.6Å; F1423-Y1476 VanDerWaalsContact CE2-CD2 3.42Å; F1423-Y1476 HydrophobicContact CE2-CE1 4.49Å; F1423-Y1476 AromaticContact CE2-CE2 3.91Å; F1423-Y1476 HydrophobicContact CE2-CE2 3.97Å; F1423-Y1476 AromaticContact CE2-CG 3.76Å; F1423-Y1476 HydrophobicContact CE2-CG 3.81Å; F1423-Y1476 AromaticContact CZ-CD2 3.73Å; F1423-Y1476 HydrophobicContact CZ-CD2 3.73Å; F1423-Y1476 HydrophobicContact CZ-CE2 4.34Å; F1423-Y1476 AromaticContact CZ-CG 3.96Å; F1423-Y1476 HydrophobicContact CZ-CG 4.17Å; F1440-Y1476 CarbonylContact O-C 3.57Å; F1440-Y1476 VanDerWaalsContact O-CA 3.3Å; F1440-Y1476 WeakPolarHBondContact O-CA 3.35Å; F1441-Y1476 HydrophobicContact CB-CD1 4.35Å; F1441-Y1476 HydrophobicContact CB-CE1 4.09Å; F1441-Y1476 HydrophobicContact CD2-CD1 4.18Å; F1441-Y1476 AromaticContact CD2-CD2 3.9Å; F1441-Y1476 HydrophobicContact CD2-CD2 3.98Å; F1441-Y1476 AromaticContact CD2-CE1 3.7Å; F1441-Y1476 HydrophobicContact CD2-CE1 3.7Å; F1441-Y1476 AromaticContact CD2-CE2 3.45Å; F1441-Y1476 HydrophobicContact CD2-CE2 3.45Å; F1441-Y1476 VanDerWaalsContact CD2-CE2 3.5Å; F1441-Y1476 HydrophobicContact CD2-CG 4.3Å; F1441-Y1476 AromaticContact CD2-CZ 3.29Å; F1441-Y1476 WeakPolarHBondContact CD2-OH 3.4Å; F1441-Y1476 HydrophobicContact CE2-CD2 4.38Å; F1441-Y1476 HydrophobicContact CE2-CE1 4.44Å; F1441-Y1476 AromaticContact CE2-CE2 3.58Å; F1441-Y1476 HydrophobicContact CE2-CE2 3.58Å; F1441-Y1476 VanDerWaalsContact CE2-CE2 3.46Å; F1441-Y1476 AromaticContact CE2-CZ 3.63Å; F1441-Y1476 WeakPolarHBondContact CE2-OH 3.07Å; F1441-Y1476 HydrophobicContact CG-CE1 4.15Å; F1441-Y1476 HydrophobicContact CG-CE2 4.38Å; F1441-Y1476 AromaticContact CG-CZ 3.96Å; L1446-Y1476 HydrophobicContact CD1-CE1 4.35Å; L1446-Y1476 HydrophobicContact CD2-CD1 3.95Å; L1446-Y1476 HydrophobicContact CD2-CE1 3.79Å; L1463-Y1476 HydrophobicContact CD2-CD1 3.85Å; L1463-Y1476 VanDerWaalsContact CD2-CD1 3.47Å; L1463-Y1476 HydrophobicContact CD2-CE1 4.06Å; L1463-Y1476 HydrophobicContact CD2-CG 4.33Å; I1465-Y1476 HydrophobicContact CD1-CE1 3.97Å; I1465-Y1476 HydrophobicContact CD1-CE2 4.37Å; I1465-Y1476 VanDerWaalsContact CD1-OH 3.27Å; I1465-Y1476 WeakPolarHBondContact CD1-OH 3.4Å; D1472-Y1476 VanDerWaalsContact O-CE2 3.31Å; D1472-Y1476 WeakPolarHBondContact O-CE2 3.28Å; D1472-Y1476 PolarHBondContact O-OH 3.04Å; Y1476-T1490 CarbonylContact O-C 3.49Å; Y1476-T1490 VanDerWaalsContact O-CA 3.28Å; Y1476-T1490 WeakPolarHBondContact O-CA 3.36Å; Y1476-A1491 WeakPolarHBondContact CA-O 3.33Å; Y1476-A1491 PolarHBondContact N-O 3.15Å; Y1476-A1491 PolarHBondContact O-N 3.18Å; Y1476-A1491 VanDerWaalsContact O-O 3.13Å; Y1476-L1493 HydrophobicContact CD2-CB 4Å; Y1476-L1493 HydrophobicContact CE2-CB 3.58Å; Y1476-L1493 VanDerWaalsContact CE2-CB 3.44Å; Y1476-L1493 HydrophobicContact CE2-CD2 3.97Å; Y1476-L1493 HydrophobicContact CE2-CG 4.41Å |
| 1477 | L | 95.1 | Very high | 87.8 | Confident | 47.4 Ų | 47.4 | 42.3 Ų | 42.3 | 25% | 0.248 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 123.2 | 177.1 | -179.2 | 156.2 | 0 | 0 | 0 | 108.5 | W1439 F1440 K1479 T1488 T1489 T1490 | W1439-L1477 CarbonylContact C-O 3.56Å; W1439-L1477 WeakPolarHBondContact CA-O 3.43Å; F1440-L1477 HydrophobicContact CB-CB 4.27Å; F1440-L1477 HydrophobicContact CB-CD2 4.36Å; F1440-L1477 HydrophobicContact CD2-CD2 3.67Å; F1440-L1477 HydrophobicContact CE2-CD2 4.28Å; F1440-L1477 HydrophobicContact CG-CD2 4.35Å; F1440-L1477 PolarHBondContact N-O 3.2Å; F1440-L1477 PolarHBondContact O-N 3.02Å; L1477-K1479 HydrophobicContact CD2-CB 3.84Å; L1477-T1488 HydrophobicContact CD1-CG2 4.49Å; L1477-T1488 HydrophobicContact CD2-CG2 4Å; L1477-T1488 HydrophobicContact CG-CG2 4.49Å; L1477-T1489 CarbonylContact C-O 3.46Å; L1477-T1489 WeakPolarHBondContact CA-O 3.41Å; L1477-T1490 HydrophobicContact CB-CG2 3.92Å; L1477-T1490 HydrophobicContact CD1-CG2 3.72Å; L1477-T1490 HydrophobicContact CG-CG2 3.77Å |
| 1478 | C | 94 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 124.4 | 169 | 174.1 | 0 | 0 | 0 | 0 | 108.3 | F1405 L1409 I1437 E1438 W1439 T1488 T1489 E2321 | F1405-C1478 HydrophobicContact CZ-CB 4.49Å; F1405-C1478 WeakPolarHBondContact CZ-SG 3.5Å; L1409-C1478 HydrophobicContact CD1-CB 3.89Å; L1409-C1478 HydrophobicContact CG-CB 4.45Å; I1437-C1478 WeakPolarHBondContact CG2-SG 3.31Å; E1438-C1478 CarbonylContact O-C 3.46Å; E1438-C1478 WeakPolarHBondContact O-CA 3.35Å; W1439-C1478 HydrophobicContact CD2-CB 4.14Å; W1439-C1478 HydrophobicContact CE3-CB 4.02Å; W1439-C1478 HydrophobicContact CH2-CB 4.07Å; W1439-C1478 HydrophobicContact CZ2-CB 4.14Å; W1439-C1478 HydrophobicContact CZ3-CB 4Å; C1478-T1488 CarbonylContact O-C 3.52Å; C1478-T1488 WeakPolarHBondContact O-CA 3.4Å; C1478-T1489 HydrophobicContact CB-CG2 3.88Å; C1478-T1489 PolarHBondContact N-O 3.05Å; C1478-T1489 PolarHBondContact O-N 2.84Å; C1478-E2321 PolarHBondContact SG-OE1 2.71Å |
| 1479 | K | 93.3 | Very high | 88.4 | Confident | 33.6 Ų | 33.6 | 46 Ų | 46 | 15% | 0.146 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 119.5 | -179.3 | 178.7 | -174.7 | 171.5 | -154.5 | 0 | 109.2 | I1437 E1438 F1440 L1477 E1486 A1487 T1488 K2319 | I1437-K1479 CarbonylContact C-O 3.54Å; I1437-K1479 VanDerWaalsContact CA-O 3.29Å; I1437-K1479 WeakPolarHBondContact CA-O 3.35Å; I1437-K1479 WeakPolarHBondContact CG2-O 3.4Å; E1438-K1479 HydrophobicContact CB-CB 4.22Å; E1438-K1479 HydrophobicContact CB-CD 4.42Å; E1438-K1479 PolarHBondContact N-O 3.06Å; E1438-K1479 PolarHBondContact O-N 2.99Å; E1438-K1479 VanDerWaalsContact OE2-CD 3.32Å; E1438-K1479 WeakPolarHBondContact OE2-CD 3.4Å; E1438-K1479 WeakPolarHBondContact OE2-CE 3.48Å; E1438-K1479 IonicContact OE2-NZ 3.3Å; E1438-K1479 PolarHBondContact OE2-NZ 2.85Å; F1440-K1479 HydrophobicContact CE2-CB 4.08Å; F1440-K1479 HydrophobicContact CE2-CD 4.08Å; F1440-K1479 HydrophobicContact CZ-CD 4.42Å; L1477-K1479 HydrophobicContact CD2-CB 3.84Å; K1479-E1486 WeakPolarHBondContact CE-OE1 3.39Å; K1479-E1486 WeakPolarHBondContact CE-OE2 3.41Å; K1479-E1486 VanDerWaalsContact NZ-CD 3.25Å; K1479-E1486 IonicContact NZ-OE1 3.2Å; K1479-E1486 PolarHBondContact NZ-OE1 3.02Å; K1479-E1486 IonicContact NZ-OE2 3.04Å; K1479-E1486 PolarHBondContact NZ-OE2 2.89Å; K1479-A1487 CarbonylContact C-O 3.57Å; K1479-A1487 VanDerWaalsContact CA-O 3.28Å; K1479-A1487 WeakPolarHBondContact CA-O 3.27Å; K1479-T1488 HydrophobicContact CB-CG2 3.99Å; K1479-T1488 HydrophobicContact CD-CG2 4.39Å; K1479-T1488 HydrophobicContact CG-CG2 3.89Å; K1479-K2319 PolarHBondContact O-NZ 2.98Å |
| 1480 | A | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 129.3 | 171 | 0 | 0 | 0 | 0 | 0 | 109.5 | P1403 F1405 V1427 L1435 R1436 I1437 E1486 A1487 | P1403-A1480 HydrophobicContact CB-CB 3.87Å; P1403-A1480 HydrophobicContact CG-CB 4.41Å; P1403-A1480 VanDerWaalsContact CG-O 3.31Å; P1403-A1480 WeakPolarHBondContact CG-O 3.32Å; F1405-A1480 HydrophobicContact CE1-CB 4.37Å; F1405-A1480 HydrophobicContact CE2-CB 4.02Å; F1405-A1480 HydrophobicContact CZ-CB 3.65Å; V1427-A1480 HydrophobicContact CG2-CB 3.86Å; L1435-A1480 HydrophobicContact CD1-CB 4.2Å; R1436-A1480 CarbonylContact O-C 3.51Å; R1436-A1480 VanDerWaalsContact O-CA 3.32Å; R1436-A1480 WeakPolarHBondContact O-CA 3.28Å; I1437-A1480 HydrophobicContact CD1-CB 3.67Å; A1480-E1486 CarbonylContact O-C 3.52Å; A1480-E1486 VanDerWaalsContact O-CA 3.31Å; A1480-E1486 WeakPolarHBondContact O-CA 3.43Å; A1480-A1487 HydrophobicContact CB-CB 4.43Å; A1480-A1487 PolarHBondContact N-O 3.11Å; A1480-A1487 PolarHBondContact O-N 2.98Å; A1480-A1487 VanDerWaalsContact O-O 3.12Å |
| 1481 | S | 89.2 | Confident | 89.2 | Confident | 14.4 Ų | 14.4 | 44.1 Ų | 44.1 | 10% | 0.101 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 140.6 | 176.7 | 58 | 0 | 0 | 0 | 0 | 111 | N1434 L1435 R1436 A1485 K2319 | N1434-S1481 VanDerWaalsContact O-O 3.04Å; L1435-S1481 CarbonylContact C-O 3.56Å; L1435-S1481 WeakPolarHBondContact CA-O 3.37Å; R1436-S1481 PolarHBondContact N-O 2.99Å; R1436-S1481 PolarHBondContact O-N 3.02Å; R1436-S1481 PolarHBondContact O-OG 2.95Å; R1436-S1481 VanDerWaalsContact O-OG 3.08Å; S1481-A1485 WeakPolarHBondContact CA-O 3.12Å; S1481-K2319 VanDerWaalsContact CB-NZ 3.34Å; S1481-K2319 VanDerWaalsContact OG-CE 3.23Å; S1481-K2319 WeakPolarHBondContact OG-CE 3.48Å; S1481-K2319 PolarHBondContact OG-NZ 3.24Å |
| 1482 | N | 84.6 | Confident | 89.5 | Confident | 19.4 Ų | 19.4 | 40.1 Ų | 40.1 | 10% | 0.104 | 24% | 0.241 | C | C | . | . | trans | -132.9 | -167.8 | 165.7 | 74.1 | -1.3 | 0 | 0 | 0 | 110.4 | D1401 P1403 D1432 N1434 C1484 A1485 | D1401-N1482 PolarHBondContact O-ND2 2.93Å; P1403-N1482 VanDerWaalsContact CD-OD1 3.25Å; P1403-N1482 WeakPolarHBondContact CD-OD1 3.37Å; D1432-N1482 VanDerWaalsContact OD2-CB 3.23Å; D1432-N1482 WeakPolarHBondContact OD2-CB 3.34Å; D1432-N1482 PolarHBondContact OD2-ND2 2.97Å; N1434-N1482 HydrophobicContact CB-CB 4.34Å; N1482-C1484 PolarHBondContact O-N 2.99Å; N1482-C1484 WeakPolarHBondContact OD1-CA 3.39Å; N1482-C1484 WeakPolarHBondContact OD1-CB 3.4Å; N1482-C1484 PolarHBondContact OD1-N 2.91Å; N1482-A1485 PolarHBondContact N-O 3.01Å; N1482-A1485 PolarHBondContact OD1-N 3.02Å; N1482-A1485 VanDerWaalsContact OD1-N 3.11Å; N1482-A1485 PolarHBondContact OD1-O 2.95Å | ||
| 1483 | L | 77.2 | Confident | 89.6 | Confident | 122 Ų | 122 | 39.9 Ų | 39.9 | 64% | 0.639 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -65.5 | -17.4 | 179.6 | -63.8 | 177.4 | 0 | 0 | 0 | 114.2 | N1434 | N1434-L1483 HydrophobicContact CB-CD1 4.35Å; N1434-L1483 HydrophobicContact CB-CD2 4.45Å; N1434-L1483 HydrophobicContact CB-CG 3.85Å; N1434-L1483 WeakPolarHBondContact ND2-CD1 3.38Å; N1434-L1483 WeakPolarHBondContact OD1-CD1 3.27Å |
| 1484 | C | 74.8 | Confident | 89.6 | Confident | 60.8 Ų | 60.8 | 39.2 Ų | 39.2 | 41% | 0.411 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -104.3 | -33.9 | -172.2 | -62 | 0 | 0 | 0 | 0 | 113.6 | F1399 G1400 N1482 | F1399-C1484 PolarHBondContact O-SG 2.91Å; G1400-C1484 PolarHBondContact O-SG 3.09Å; G1400-C1484 VanDerWaalsContact O-SG 3.36Å; N1482-C1484 PolarHBondContact O-N 2.99Å; N1482-C1484 WeakPolarHBondContact OD1-CA 3.39Å; N1482-C1484 WeakPolarHBondContact OD1-CB 3.4Å; N1482-C1484 PolarHBondContact OD1-N 2.91Å |
| 1485 | A | 81.1 | Confident | 89.4 | Confident | 34.6 Ų | 34.6 | 39.2 Ų | 39.2 | 29% | 0.286 | 24% | 0.236 | S | C | . | . | trans | -164.3 | 175.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1402 P1403 S1481 N1482 | K1402-A1485 HydrophobicContact CB-CB 3.68Å; P1403-A1485 VanDerWaalsContact CD-O 3.28Å; P1403-A1485 WeakPolarHBondContact CD-O 3.34Å; P1403-A1485 VanDerWaalsContact CG-O 3.29Å; P1403-A1485 WeakPolarHBondContact CG-O 3.23Å; S1481-A1485 WeakPolarHBondContact CA-O 3.12Å; N1482-A1485 PolarHBondContact N-O 3.01Å; N1482-A1485 PolarHBondContact OD1-N 3.02Å; N1482-A1485 VanDerWaalsContact OD1-N 3.11Å; N1482-A1485 PolarHBondContact OD1-O 2.95Å | ||
| 1486 | E | 87.5 | Confident | 88.8 | Confident | 125.6 Ų | 125.6 | 40 Ų | 40 | 59% | 0.587 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 144.4 | 164.2 | -50 | -168.2 | 138.6 | 0 | 0 | 110.1 | K1479 A1480 | K1479-E1486 WeakPolarHBondContact CE-OE1 3.39Å; K1479-E1486 WeakPolarHBondContact CE-OE2 3.41Å; K1479-E1486 VanDerWaalsContact NZ-CD 3.25Å; K1479-E1486 IonicContact NZ-OE1 3.2Å; K1479-E1486 PolarHBondContact NZ-OE1 3.02Å; K1479-E1486 IonicContact NZ-OE2 3.04Å; K1479-E1486 PolarHBondContact NZ-OE2 2.89Å; A1480-E1486 CarbonylContact O-C 3.52Å; A1480-E1486 VanDerWaalsContact O-CA 3.31Å; A1480-E1486 WeakPolarHBondContact O-CA 3.43Å |
| 1487 | A | 90.1 | Very high | 87.3 | Confident | 19.2 Ų | 19.2 | 41.5 Ų | 41.5 | 16% | 0.159 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 149.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | P1403 F1405 K1479 A1480 | P1403-A1487 HydrophobicContact CB-CB 4.1Å; P1403-A1487 HydrophobicContact CG-CB 3.99Å; P1403-A1487 VanDerWaalsContact O-CB 3.26Å; P1403-A1487 WeakPolarHBondContact O-CB 3.21Å; F1405-A1487 HydrophobicContact CD2-CB 4.09Å; F1405-A1487 HydrophobicContact CE2-CB 4.02Å; K1479-A1487 CarbonylContact C-O 3.57Å; K1479-A1487 VanDerWaalsContact CA-O 3.28Å; K1479-A1487 WeakPolarHBondContact CA-O 3.27Å; A1480-A1487 HydrophobicContact CB-CB 4.43Å; A1480-A1487 PolarHBondContact N-O 3.11Å; A1480-A1487 PolarHBondContact O-N 2.98Å; A1480-A1487 VanDerWaalsContact O-O 3.12Å |
| 1488 | T | 92.8 | Very high | 85.2 | Confident | 86.2 Ų | 86.2 | 41.5 Ų | 41.5 | 53% | 0.529 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 148 | 178.3 | 51.5 | 0 | 0 | 0 | 0 | 110.9 | L1477 C1478 K1479 | L1477-T1488 HydrophobicContact CD1-CG2 4.49Å; L1477-T1488 HydrophobicContact CD2-CG2 4Å; L1477-T1488 HydrophobicContact CG-CG2 4.49Å; C1478-T1488 CarbonylContact O-C 3.52Å; C1478-T1488 WeakPolarHBondContact O-CA 3.4Å; K1479-T1488 HydrophobicContact CB-CG2 3.99Å; K1479-T1488 HydrophobicContact CD-CG2 4.39Å; K1479-T1488 HydrophobicContact CG-CG2 3.89Å |
| 1489 | T | 92.7 | Very high | 82.9 | Confident | 12.8 Ų | 12.8 | 45.2 Ų | 45.2 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 147.7 | 169.5 | -177 | 0 | 0 | 0 | 0 | 108.8 | F1405 P1408 L1409 C1425 L1477 C1478 | F1405-T1489 HydrophobicContact CD1-CG2 3.74Å; F1405-T1489 HydrophobicContact CD2-CG2 3.85Å; F1405-T1489 HydrophobicContact CE1-CG2 3.64Å; F1405-T1489 HydrophobicContact CE2-CG2 3.75Å; F1405-T1489 HydrophobicContact CG-CG2 3.85Å; F1405-T1489 HydrophobicContact CZ-CG2 3.64Å; P1408-T1489 WeakPolarHBondContact CA-OG1 3.25Å; P1408-T1489 WeakPolarHBondContact CB-OG1 3.3Å; L1409-T1489 HydrophobicContact CB-CG2 4.4Å; L1409-T1489 HydrophobicContact CD1-CG2 3.9Å; L1409-T1489 HydrophobicContact CG-CG2 3.67Å; L1409-T1489 PolarHBondContact N-OG1 3Å; C1425-T1489 HydrophobicContact CB-CG2 4.41Å; L1477-T1489 CarbonylContact C-O 3.46Å; L1477-T1489 WeakPolarHBondContact CA-O 3.41Å; C1478-T1489 HydrophobicContact CB-CG2 3.88Å; C1478-T1489 PolarHBondContact N-O 3.05Å; C1478-T1489 PolarHBondContact O-N 2.84Å |
| 1490 | T | 93.8 | Very high | 80.5 | Confident | 76.2 Ų | 76.2 | 50.1 Ų | 50.1 | 47% | 0.467 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 143.1 | -171.2 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | V1475 Y1476 L1477 | V1475-T1490 HydrophobicContact CG1-CG2 4.49Å; Y1476-T1490 CarbonylContact O-C 3.49Å; Y1476-T1490 VanDerWaalsContact O-CA 3.28Å; Y1476-T1490 WeakPolarHBondContact O-CA 3.36Å; L1477-T1490 HydrophobicContact CB-CG2 3.92Å; L1477-T1490 HydrophobicContact CD1-CG2 3.72Å; L1477-T1490 HydrophobicContact CG-CG2 3.77Å |
| 1491 | A | 92.9 | Very high | 78.2 | Confident | 2.2 Ų | 2.2 | 56.5 Ų | 56.5 | 2% | 0.018 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 153.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1409 K1410 N1411 F1423 V1475 Y1476 | L1409-A1491 HydrophobicContact CB-CB 3.63Å; L1409-A1491 HydrophobicContact CD1-CB 4.36Å; K1410-A1491 VanDerWaalsContact C-CB 3.44Å; K1410-A1491 WeakPolarHBondContact O-CB 3.35Å; N1411-A1491 VanDerWaalsContact OD1-CA 3.26Å; N1411-A1491 WeakPolarHBondContact OD1-CA 3.29Å; F1423-A1491 HydrophobicContact CD1-CB 3.92Å; F1423-A1491 HydrophobicContact CE1-CB 3.62Å; V1475-A1491 CarbonylContact C-O 3.5Å; V1475-A1491 WeakPolarHBondContact CA-O 3.38Å; Y1476-A1491 WeakPolarHBondContact CA-O 3.33Å; Y1476-A1491 PolarHBondContact N-O 3.15Å; Y1476-A1491 PolarHBondContact O-N 3.18Å; Y1476-A1491 VanDerWaalsContact O-O 3.13Å |
| 1492 | S | 91.6 | Very high | 76.1 | Confident | 45.8 Ų | 45.8 | 63.1 Ų | 63.1 | 32% | 0.32 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 138.4 | 175.5 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | N1411 V1412 G1474 | N1411-S1492 WeakPolarHBondContact CA-O 3.29Å; N1411-S1492 VanDerWaalsContact CG-OG 3.31Å; N1411-S1492 PolarHBondContact OD1-N 2.98Å; N1411-S1492 PolarHBondContact OD1-OG 3.04Å; V1412-S1492 CarbonylContact C-O 3.48Å; V1412-S1492 PolarHBondContact N-O 3.01Å; V1412-S1492 VanDerWaalsContact O-O 3.13Å; G1474-S1492 CarbonylContact O-C 3.56Å; G1474-S1492 VanDerWaalsContact O-CA 3.29Å; G1474-S1492 WeakPolarHBondContact O-CA 3.24Å |
| 1493 | L | 91.9 | Very high | 74.3 | Confident | 5.8 Ų | 5.8 | 68.4 Ų | 68.4 | 3% | 0.03 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 129.6 | 162.3 | -171.9 | 53 | 0 | 0 | 0 | 109.5 | V1412 V1415 A1421 F1423 I1465 D1472 S1473 G1474 Y1476 V1495 | V1412-L1493 HydrophobicContact CB-CD1 3.98Å; V1412-L1493 HydrophobicContact CG1-CD1 3.92Å; V1412-L1493 CarbonylContact O-C 3.48Å; V1412-L1493 VanDerWaalsContact O-CA 3.27Å; V1412-L1493 WeakPolarHBondContact O-CA 3.3Å; V1412-L1493 WeakPolarHBondContact O-CD1 3.22Å; V1415-L1493 HydrophobicContact CB-CD1 4.31Å; V1415-L1493 HydrophobicContact CG2-CD1 3.8Å; A1421-L1493 HydrophobicContact CB-CD1 3.76Å; A1421-L1493 HydrophobicContact CB-CD2 4.11Å; F1423-L1493 HydrophobicContact CE2-CB 4.23Å; F1423-L1493 HydrophobicContact CE2-CD1 4.41Å; F1423-L1493 HydrophobicContact CE2-CD2 4.44Å; F1423-L1493 HydrophobicContact CZ-CB 3.86Å; F1423-L1493 HydrophobicContact CZ-CD1 4.34Å; I1465-L1493 HydrophobicContact CD1-CD2 3.88Å; D1472-L1493 HydrophobicContact CB-CD2 3.96Å; D1472-L1493 WeakPolarHBondContact O-CD2 3.38Å; S1473-L1493 VanDerWaalsContact CA-O 3.3Å; S1473-L1493 WeakPolarHBondContact CA-O 3.37Å; G1474-L1493 PolarHBondContact N-O 3.13Å; G1474-L1493 PolarHBondContact O-N 2.86Å; Y1476-L1493 HydrophobicContact CD2-CB 4Å; Y1476-L1493 HydrophobicContact CE2-CB 3.58Å; Y1476-L1493 VanDerWaalsContact CE2-CB 3.44Å; Y1476-L1493 HydrophobicContact CE2-CD2 3.97Å; Y1476-L1493 HydrophobicContact CE2-CG 4.41Å; L1493-V1495 HydrophobicContact CD1-CG2 4.4Å; L1493-V1495 HydrophobicContact CD2-CG2 4.02Å; L1493-V1495 HydrophobicContact CG-CG2 3.87Å |
| 1494 | G | 88.8 | Confident | 72.8 | Confident | 27.6 Ų | 27.6 | 69.8 Ų | 69.8 | 29% | 0.285 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 114 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V1412 S1413 D1414 V1415 | V1412-G1494 PolarHBondContact O-N 3.02Å; S1413-G1494 CarbonylContact C-O 3.55Å; D1414-G1494 PolarHBondContact N-O 3.12Å; D1414-G1494 VanDerWaalsContact N-O 3.13Å; V1415-G1494 PolarHBondContact N-O 3.02Å; V1415-G1494 VanDerWaalsContact N-O 3.11Å |
| 1495 | V | 86.9 | Confident | 71.4 | Confident | 16 Ų | 16 | 70.7 Ų | 70.7 | 10% | 0.097 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125.6 | 177.5 | -171.5 | 0 | 0 | 0 | 0 | 109.9 | V1415 E1417 C1468 T1469 D1472 S1473 L1493 G1497 | V1415-V1495 HydrophobicContact CB-CG2 4.46Å; V1415-V1495 CarbonylContact O-C 3.56Å; V1415-V1495 VanDerWaalsContact O-CA 3.28Å; V1415-V1495 WeakPolarHBondContact O-CA 3.25Å; V1415-V1495 VanDerWaalsContact O-CG1 3.26Å; V1415-V1495 WeakPolarHBondContact O-CG1 3.26Å; E1417-V1495 HydrophobicContact CB-CG1 4.39Å; C1468-V1495 HydrophobicContact CB-CG1 4.14Å; C1468-V1495 HydrophobicContact CB-CG2 3.9Å; T1469-V1495 WeakPolarHBondContact O-CB 3.04Å; T1469-V1495 WeakPolarHBondContact O-CG1 3.24Å; T1469-V1495 WeakPolarHBondContact O-CG2 3.41Å; D1472-V1495 HydrophobicContact CB-CG2 4.3Å; S1473-V1495 WeakPolarHBondContact OG-CB 3.32Å; S1473-V1495 PolarHBondContact OG-N 3.09Å; S1473-V1495 VanDerWaalsContact OG-N 3.1Å; L1493-V1495 HydrophobicContact CD1-CG2 4.4Å; L1493-V1495 HydrophobicContact CD2-CG2 4.02Å; L1493-V1495 HydrophobicContact CG-CG2 3.87Å; V1495-G1497 PolarHBondContact O-N 3.02Å |
| 1496 | I | 79.8 | Confident | 69.9 | Low | 88.8 Ų | 88.8 | 77.5 Ų | 77.5 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 104.1 | 174.5 | -61.3 | 175.1 | 0 | 0 | 0 | 108.1 | D1414 V1415 P1416 E1417 G1498 | D1414-I1496 HydrophobicContact CB-CD1 3.87Å; D1414-I1496 WeakPolarHBondContact OD1-CD1 3.38Å; V1415-I1496 PolarHBondContact O-N 3.11Å; P1416-I1496 WeakPolarHBondContact CA-O 3.49Å; E1417-I1496 PolarHBondContact N-O 2.93Å; E1417-I1496 VanDerWaalsContact N-O 3.14Å; I1496-G1498 PolarHBondContact O-N 2.83Å |
| 1497 | G | 62.1 | Low | 67.8 | Low | 33.6 Ų | 33.6 | 76.5 Ų | 76.5 | 35% | 0.346 | 45% | 0.45 | S | S | . | . | trans | -66.6 | 134.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1417 V1495 G1499 | E1417-G1497 WeakPolarHBondContact OE2-CA 3.31Å; V1495-G1497 PolarHBondContact O-N 3.02Å; G1497-G1499 PolarHBondContact O-N 2.96Å; G1497-G1499 VanDerWaalsContact O-N 3.16Å | ||
| 1498 | G | 52.2 | Low | 66.1 | Low | 46.6 Ų | 46.6 | 80.5 Ų | 80.5 | 48% | 0.48 | 48% | 0.475 | S | S | . | . | trans | -68.4 | 119.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | E1417 I1496 N1500 | E1417-G1498 PolarHBondContact OE2-N 3.15Å; E1417-G1498 VanDerWaalsContact OE2-N 3.1Å; I1496-G1498 PolarHBondContact O-N 2.83Å; G1498-N1500 VanDerWaalsContact C-N 3.26Å; G1498-N1500 PolarHBondContact O-N 3.09Å | ||
| 1499 | G | 46.2 | Very low | 64.4 | Low | 77 Ų | 77 | 80.1 Ų | 80.1 | 79% | 0.794 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 64.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G1497 I1501 | G1497-G1499 PolarHBondContact O-N 2.96Å; G1497-G1499 VanDerWaalsContact O-N 3.16Å; G1499-I1501 PolarHBondContact O-N 3.32Å; G1499-I1501 VanDerWaalsContact O-N 3.12Å |
| 1500 | N | 41.9 | Very low | 62.3 | Low | 137.2 Ų | 137.2 | 81.2 Ų | 81.2 | 73% | 0.734 | 48% | 0.481 | S | S | * | . | trans | -128.5 | 76.2 | 175.9 | -85.7 | -23 | 0 | 0 | 0 | 112.9 | G1498 Q1502 | G1498-N1500 VanDerWaalsContact C-N 3.26Å; G1498-N1500 PolarHBondContact O-N 3.09Å; N1500-Q1502 PolarHBondContact O-N 2.78Å | ||
| 1501 | I | 44.1 | Very low | 60.5 | Low | 134.8 Ų | 134.8 | 84.7 Ų | 84.7 | 69% | 0.691 | 49% | 0.486 | S | S | * | . | trans | -124.4 | 104.8 | 170 | -62.9 | 172.8 | 0 | 0 | 0 | 109.8 | G1499 L1503 | G1499-I1501 PolarHBondContact O-N 3.32Å; G1499-I1501 VanDerWaalsContact O-N 3.12Å; I1501-L1503 HydrophobicContact CB-CG 4.35Å; I1501-L1503 HydrophobicContact CG2-CD2 4.07Å; I1501-L1503 HydrophobicContact CG2-CG 4.15Å; I1501-L1503 PolarHBondContact O-N 3.2Å; I1501-L1503 VanDerWaalsContact O-N 3.16Å | ||
| 1502 | Q | 44.4 | Very low | 59.1 | Low | 153.8 Ų | 153.8 | 90.6 Ų | 90.6 | 72% | 0.719 | 51% | 0.514 | S | S | * | . | trans | -89.8 | 87.8 | -179.6 | -127.5 | 167.2 | -3.2 | 0 | 0 | 111.3 | K986 N1500 E1504 Q1506 | K986-Q1502 PolarHBondContact NZ-O 3.21Å; N1500-Q1502 PolarHBondContact O-N 2.78Å; Q1502-E1504 VanDerWaalsContact C-N 3.3Å; Q1502-Q1506 VanDerWaalsContact NE2-NE2 3.18Å | ||
| 1503 | L | 46.7 | Very low | 57.6 | Low | 129.2 Ų | 129.2 | 94.2 Ų | 94.2 | 68% | 0.676 | 52% | 0.523 | S | S | * | . | trans | -97.9 | -3 | -178.5 | -72.8 | 164.5 | 0 | 0 | 0 | 114.1 | E1417 I1501 S1505 | E1417-L1503 WeakPolarHBondContact OE1-CD1 3.45Å; I1501-L1503 HydrophobicContact CB-CG 4.35Å; I1501-L1503 HydrophobicContact CG2-CD2 4.07Å; I1501-L1503 HydrophobicContact CG2-CG 4.15Å; I1501-L1503 PolarHBondContact O-N 3.2Å; I1501-L1503 VanDerWaalsContact O-N 3.16Å; L1503-S1505 PolarHBondContact O-N 2.9Å | ||
| 1504 | E | 45.8 | Very low | 56.1 | Low | 151.6 Ų | 151.6 | 97 Ų | 97 | 71% | 0.708 | 54% | 0.541 | S | S | * | . | trans | -88.7 | 90.5 | -178.9 | -66 | -172.7 | 156.2 | 0 | 0 | 113.2 | Q1502 Q1506 H1507 | Q1502-E1504 VanDerWaalsContact C-N 3.3Å; E1504-Q1506 PolarHBondContact O-N 3.05Å; E1504-H1507 PolarHBondContact O-N 3.31Å | ||
| 1505 | S | 45.9 | Very low | 54.7 | Low | 80 Ų | 80 | 101.2 Ų | 101.2 | 56% | 0.559 | 55% | 0.553 | S | S | * | * | trans | -70.1 | 105.1 | 178.9 | 155.9 | 0 | 0 | 0 | 0 | 112.5 | L1503 H1507 S1510 | L1503-S1505 PolarHBondContact O-N 2.9Å; S1505-H1507 PolarHBondContact O-N 2.81Å; S1505-H1507 WeakPolarHBondContact OG-CB 3.4Å; S1505-H1507 PolarHBondContact OG-N 2.7Å; S1505-S1510 WeakPolarHBondContact CB-OG 3.36Å; S1505-S1510 PolarHBondContact O-OG 2.81Å; S1505-S1510 WeakPolarHBondContact OG-CB 3.45Å; S1505-S1510 PolarHBondContact OG-OG 3.17Å | ||
| 1506 | Q | 49.5 | Very low | 53.5 | Low | 176.6 Ų | 176.6 | 106.1 Ų | 106.1 | 83% | 0.825 | 58% | 0.575 | S | S | * | * | trans | -76.8 | 10.2 | 178.9 | -65.3 | -112.6 | -7 | 0 | 0 | 114.2 | Q1502 E1504 | Q1502-Q1506 VanDerWaalsContact NE2-NE2 3.18Å; E1504-Q1506 PolarHBondContact O-N 3.05Å | ||
| 1507 | H | 44.5 | Very low | 52.3 | Low | 105 Ų | 105 | 108 Ų | 108 | 49% | 0.486 | 59% | 0.585 | S | S | . | * | trans | -88.4 | 126.9 | -176.5 | -159.4 | -99.2 | 0 | 0 | 0 | 112.5 | E1504 S1505 T1509 S1510 Y1511 | E1504-H1507 PolarHBondContact O-N 3.31Å; S1505-H1507 PolarHBondContact O-N 2.81Å; S1505-H1507 WeakPolarHBondContact OG-CB 3.4Å; S1505-H1507 PolarHBondContact OG-N 2.7Å; H1507-T1509 VanDerWaalsContact C-N 3.28Å; H1507-T1509 PolarHBondContact CE1-OG1 3.04Å; H1507-T1509 PolarHBondContact ND1-OG1 3.13Å; H1507-T1509 PolarHBondContact O-N 3.03Å; H1507-S1510 WeakPolarHBondContact CB-OG 3.26Å; H1507-S1510 WeakPolarHBondContact O-CB 3.38Å; H1507-S1510 PolarHBondContact O-N 2.99Å; H1507-S1510 VanDerWaalsContact O-N 3.12Å; H1507-S1510 PolarHBondContact O-OG 2.94Å; H1507-Y1511 PolarHBondContact O-N 2.91Å; H1507-Y1511 VanDerWaalsContact O-N 3.13Å | ||
| 1508 | P | 54.3 | Low | 52 | Low | 103.4 Ų | 103.4 | 112.6 Ų | 112.6 | 67% | 0.671 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -59 | -28 | -173.2 | -27.1 | 34.7 | 0 | 0 | 0 | 115.8 | Y1511 Q1512 | P1508-Y1511 WeakPolarHBondContact O-CB 3.31Å; P1508-Y1511 PolarHBondContact O-N 3.07Å; P1508-Q1512 WeakPolarHBondContact O-CG 3.18Å; P1508-Q1512 PolarHBondContact O-N 2.97Å |
| 1509 | T | 55.9 | Low | 52.1 | Low | 77.4 Ų | 77.4 | 112.1 Ų | 112.1 | 48% | 0.475 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -86.6 | -21.1 | -179.9 | 37.4 | 0 | 0 | 0 | 0 | 113.2 | H1507 Y1511 Q1512 K1513 | H1507-T1509 VanDerWaalsContact C-N 3.28Å; H1507-T1509 PolarHBondContact CE1-OG1 3.04Å; H1507-T1509 PolarHBondContact ND1-OG1 3.13Å; H1507-T1509 PolarHBondContact O-N 3.03Å; T1509-Y1511 VanDerWaalsContact C-N 3.3Å; T1509-Y1511 PolarHBondContact O-N 3.04Å; T1509-Q1512 PolarHBondContact O-N 3.15Å; T1509-K1513 WeakPolarHBondContact O-CB 3.23Å; T1509-K1513 PolarHBondContact O-N 2.99Å; T1509-K1513 VanDerWaalsContact O-N 3.13Å |
| 1510 | S | 49.4 | Very low | 52.1 | Low | 36 Ų | 36 | 114 Ų | 114 | 25% | 0.252 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.8 | -38.9 | 176.3 | 15.6 | 0 | 0 | 0 | 0 | 111.1 | S1505 H1507 Q1512 K1513 V1514 | S1505-S1510 WeakPolarHBondContact CB-OG 3.36Å; S1505-S1510 PolarHBondContact O-OG 2.81Å; S1505-S1510 WeakPolarHBondContact OG-CB 3.45Å; S1505-S1510 PolarHBondContact OG-OG 3.17Å; H1507-S1510 WeakPolarHBondContact CB-OG 3.26Å; H1507-S1510 WeakPolarHBondContact O-CB 3.38Å; H1507-S1510 PolarHBondContact O-N 2.99Å; H1507-S1510 VanDerWaalsContact O-N 3.12Å; H1507-S1510 PolarHBondContact O-OG 2.94Å; S1510-Q1512 VanDerWaalsContact C-N 3.33Å; S1510-Q1512 PolarHBondContact O-N 3.02Å; S1510-K1513 WeakPolarHBondContact O-CB 3.4Å; S1510-K1513 PolarHBondContact O-N 3.11Å; S1510-K1513 VanDerWaalsContact O-N 3.14Å; S1510-V1514 WeakPolarHBondContact O-CB 3.32Å; S1510-V1514 WeakPolarHBondContact O-CG2 3.33Å; S1510-V1514 PolarHBondContact O-N 2.95Å |
| 1511 | Y | 56.7 | Low | 52.5 | Low | 149.6 Ų | 149.6 | 115.3 Ų | 115.3 | 59% | 0.587 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.4 | -39.6 | 174.6 | -145.9 | -88.6 | 0 | 0 | 0 | 112.6 | H1471 H1507 P1508 T1509 K1513 V1514 Q1515 | H1471-Y1511 PolarHBondContact CD2-OH 3.11Å; H1471-Y1511 AromaticContact CE1-CE1 3.99Å; H1471-Y1511 AromaticContact CE1-CZ 3.47Å; H1471-Y1511 VanDerWaalsContact CE1-CZ 3.47Å; H1471-Y1511 PolarHBondContact CE1-OH 3.22Å; H1471-Y1511 VanDerWaalsContact CG-OH 3.29Å; H1471-Y1511 AromaticContact ND1-CZ 3.9Å; H1471-Y1511 PolarHBondContact ND1-OH 3.14Å; H1471-Y1511 AromaticContact NE2-CZ 3.62Å; H1471-Y1511 PolarHBondContact NE2-OH 2.93Å; H1507-Y1511 PolarHBondContact O-N 2.91Å; H1507-Y1511 VanDerWaalsContact O-N 3.13Å; P1508-Y1511 WeakPolarHBondContact O-CB 3.31Å; P1508-Y1511 PolarHBondContact O-N 3.07Å; T1509-Y1511 VanDerWaalsContact C-N 3.3Å; T1509-Y1511 PolarHBondContact O-N 3.04Å; Y1511-K1513 VanDerWaalsContact C-N 3.35Å; Y1511-K1513 PolarHBondContact O-N 2.81Å; Y1511-V1514 PolarHBondContact O-N 3.13Å; Y1511-Q1515 HydrophobicContact CD1-CG 4.34Å; Y1511-Q1515 HydrophobicContact CE1-CG 4.29Å; Y1511-Q1515 WeakPolarHBondContact O-CG 3.38Å; Y1511-Q1515 PolarHBondContact O-N 2.95Å; Y1511-Q1515 VanDerWaalsContact O-N 3.11Å |
| 1512 | Q | 63.5 | Low | 52.8 | Low | 127.8 Ų | 127.8 | 116.3 Ų | 116.3 | 60% | 0.597 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67 | -38 | 173.1 | -73.3 | -178.8 | -20.7 | 0 | 0 | 112.4 | P1508 T1509 S1510 V1514 Q1515 E1516 | P1508-Q1512 WeakPolarHBondContact O-CG 3.18Å; P1508-Q1512 PolarHBondContact O-N 2.97Å; T1509-Q1512 PolarHBondContact O-N 3.15Å; S1510-Q1512 VanDerWaalsContact C-N 3.33Å; S1510-Q1512 PolarHBondContact O-N 3.02Å; Q1512-V1514 VanDerWaalsContact C-N 3.34Å; Q1512-V1514 PolarHBondContact O-N 2.97Å; Q1512-Q1515 PolarHBondContact O-N 3.03Å; Q1512-E1516 WeakPolarHBondContact O-CB 3.43Å; Q1512-E1516 WeakPolarHBondContact O-CG 3.2Å; Q1512-E1516 PolarHBondContact O-N 2.99Å |
| 1513 | K | 58.7 | Low | 52.7 | Low | 120.4 Ų | 120.4 | 116.5 Ų | 116.5 | 52% | 0.523 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66 | -39.9 | 177.9 | -151.2 | 76.6 | 179.8 | 172 | 0 | 112 | T1509 S1510 Y1511 E1516 L1517 | T1509-K1513 WeakPolarHBondContact O-CB 3.23Å; T1509-K1513 PolarHBondContact O-N 2.99Å; T1509-K1513 VanDerWaalsContact O-N 3.13Å; S1510-K1513 WeakPolarHBondContact O-CB 3.4Å; S1510-K1513 PolarHBondContact O-N 3.11Å; S1510-K1513 VanDerWaalsContact O-N 3.14Å; Y1511-K1513 VanDerWaalsContact C-N 3.35Å; Y1511-K1513 PolarHBondContact O-N 2.81Å; K1513-E1516 IonicContact NZ-OE2 2.82Å; K1513-E1516 PolarHBondContact NZ-OE2 3.39Å; K1513-E1516 PolarHBondContact O-N 2.89Å; K1513-L1517 HydrophobicContact CG-CD1 4.37Å; K1513-L1517 WeakPolarHBondContact O-CB 3.4Å; K1513-L1517 WeakPolarHBondContact O-CD1 3.46Å; K1513-L1517 VanDerWaalsContact O-CG 3.27Å; K1513-L1517 WeakPolarHBondContact O-CG 3.23Å; K1513-L1517 PolarHBondContact O-N 3.07Å; K1513-L1517 VanDerWaalsContact O-N 3.11Å |
| 1514 | V | 59.8 | Low | 52.4 | Low | 64.4 Ų | 64.4 | 116.4 Ų | 116.4 | 39% | 0.39 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.3 | -46.6 | 173.8 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | S1510 Y1511 Q1512 E1516 L1517 E1518 | S1510-V1514 WeakPolarHBondContact O-CB 3.32Å; S1510-V1514 WeakPolarHBondContact O-CG2 3.33Å; S1510-V1514 PolarHBondContact O-N 2.95Å; Y1511-V1514 PolarHBondContact O-N 3.13Å; Q1512-V1514 VanDerWaalsContact C-N 3.34Å; Q1512-V1514 PolarHBondContact O-N 2.97Å; V1514-E1516 VanDerWaalsContact C-N 3.32Å; V1514-E1516 PolarHBondContact O-N 2.99Å; V1514-L1517 CarbonylContact O-C 3.59Å; V1514-L1517 PolarHBondContact O-N 2.92Å; V1514-L1517 VanDerWaalsContact O-N 3.08Å; V1514-E1518 VanDerWaalsContact CG1-CD 3.43Å; V1514-E1518 HydrophobicContact CG1-CG 4.11Å; V1514-E1518 WeakPolarHBondContact CG1-OE1 3.34Å; V1514-E1518 WeakPolarHBondContact CG1-OE2 3.42Å; V1514-E1518 WeakPolarHBondContact O-CB 3.35Å; V1514-E1518 VanDerWaalsContact O-CG 3.26Å; V1514-E1518 WeakPolarHBondContact O-CG 3.28Å; V1514-E1518 PolarHBondContact O-N 2.92Å |
| 1515 | Q | 59.9 | Low | 52 | Low | 115 Ų | 115 | 120.2 Ų | 120.2 | 54% | 0.537 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.1 | -32.4 | 174.6 | -75.3 | -175.2 | -26.7 | 0 | 0 | 114.2 | Y1511 Q1512 G1519 | Y1511-Q1515 HydrophobicContact CD1-CG 4.34Å; Y1511-Q1515 HydrophobicContact CE1-CG 4.29Å; Y1511-Q1515 WeakPolarHBondContact O-CG 3.38Å; Y1511-Q1515 PolarHBondContact O-N 2.95Å; Y1511-Q1515 VanDerWaalsContact O-N 3.11Å; Q1512-Q1515 PolarHBondContact O-N 3.03Å; Q1515-G1519 PolarHBondContact O-N 2.96Å |
| 1516 | E | 62 | Low | 51.8 | Low | 119.6 Ų | 119.6 | 125.9 Ų | 125.9 | 56% | 0.559 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.2 | -34.3 | 172.2 | -95.5 | -177.3 | 156.6 | 0 | 0 | 112.6 | Q1512 K1513 V1514 K1522 F1523 | Q1512-E1516 WeakPolarHBondContact O-CB 3.43Å; Q1512-E1516 WeakPolarHBondContact O-CG 3.2Å; Q1512-E1516 PolarHBondContact O-N 2.99Å; K1513-E1516 IonicContact NZ-OE2 2.82Å; K1513-E1516 PolarHBondContact NZ-OE2 3.39Å; K1513-E1516 PolarHBondContact O-N 2.89Å; V1514-E1516 VanDerWaalsContact C-N 3.32Å; V1514-E1516 PolarHBondContact O-N 2.99Å; E1516-K1522 HydrophobicContact CG-CD 4.32Å; E1516-K1522 IonicContact OE1-NZ 2.72Å; E1516-K1522 PolarHBondContact OE1-NZ 3.33Å; E1516-F1523 HydrophobicContact CB-CE2 4.14Å; E1516-F1523 HydrophobicContact CG-CE2 3.77Å; E1516-F1523 HydrophobicContact CG-CZ 3.75Å |
| 1517 | L | 55.4 | Low | 51.3 | Low | 128.6 Ų | 128.6 | 126.6 Ų | 126.6 | 67% | 0.673 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -82.8 | -30.3 | -179.3 | -71 | 167 | 0 | 0 | 0 | 113.1 | K1513 V1514 G1519 L1520 | K1513-L1517 HydrophobicContact CG-CD1 4.37Å; K1513-L1517 WeakPolarHBondContact O-CB 3.4Å; K1513-L1517 WeakPolarHBondContact O-CD1 3.46Å; K1513-L1517 VanDerWaalsContact O-CG 3.27Å; K1513-L1517 WeakPolarHBondContact O-CG 3.23Å; K1513-L1517 PolarHBondContact O-N 3.07Å; K1513-L1517 VanDerWaalsContact O-N 3.11Å; V1514-L1517 CarbonylContact O-C 3.59Å; V1514-L1517 PolarHBondContact O-N 2.92Å; V1514-L1517 VanDerWaalsContact O-N 3.08Å; L1517-G1519 VanDerWaalsContact C-N 3.28Å; L1517-G1519 PolarHBondContact O-N 3.18Å; L1517-L1520 WeakPolarHBondContact O-CD1 3.47Å; L1517-L1520 WeakPolarHBondContact O-CG 3.27Å |
| 1518 | E | 56.1 | Low | 51 | Low | 129.6 Ų | 129.6 | 128.7 Ų | 128.7 | 61% | 0.606 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -8.9 | 174.3 | -71.5 | 178.5 | 159.5 | 0 | 0 | 113.1 | V1514 L1520 | V1514-E1518 VanDerWaalsContact CG1-CD 3.43Å; V1514-E1518 HydrophobicContact CG1-CG 4.11Å; V1514-E1518 WeakPolarHBondContact CG1-OE1 3.34Å; V1514-E1518 WeakPolarHBondContact CG1-OE2 3.42Å; V1514-E1518 WeakPolarHBondContact O-CB 3.35Å; V1514-E1518 VanDerWaalsContact O-CG 3.26Å; V1514-E1518 WeakPolarHBondContact O-CG 3.28Å; V1514-E1518 PolarHBondContact O-N 2.92Å; E1518-L1520 VanDerWaalsContact C-N 3.29Å; E1518-L1520 HydrophobicContact CB-CG 4.24Å; E1518-L1520 PolarHBondContact O-N 3.06Å; E1518-L1520 VanDerWaalsContact O-N 3.14Å |
| 1519 | G | 52.3 | Low | 50.7 | Low | 37.2 Ų | 37.2 | 129.1 Ų | 129.1 | 38% | 0.384 | 64% | 0.638 | S | S | . | * | trans | -73.5 | 44 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q1515 L1517 D1521 K1522 | Q1515-G1519 PolarHBondContact O-N 2.96Å; L1517-G1519 VanDerWaalsContact C-N 3.28Å; L1517-G1519 PolarHBondContact O-N 3.18Å; G1519-D1521 PolarHBondContact O-N 3.02Å; G1519-D1521 VanDerWaalsContact O-N 3.09Å; G1519-K1522 PolarHBondContact O-N 2.83Å | ||
| 1520 | L | 46.2 | Very low | 50.5 | Low | 117 Ų | 117 | 132.5 Ų | 132.5 | 61% | 0.613 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -75.5 | 17.5 | -173.5 | -74.5 | 169.1 | 0 | 0 | 0 | 115.2 | L1517 E1518 K1522 F1523 | L1517-L1520 WeakPolarHBondContact O-CD1 3.47Å; L1517-L1520 WeakPolarHBondContact O-CG 3.27Å; E1518-L1520 VanDerWaalsContact C-N 3.29Å; E1518-L1520 HydrophobicContact CB-CG 4.24Å; E1518-L1520 PolarHBondContact O-N 3.06Å; E1518-L1520 VanDerWaalsContact O-N 3.14Å; L1520-K1522 VanDerWaalsContact C-N 3.29Å; L1520-K1522 HydrophobicContact CD2-CD 4.09Å; L1520-K1522 PolarHBondContact O-N 3.11Å; L1520-F1523 PolarHBondContact O-N 2.78Å |
| 1521 | D | 52 | Low | 50.9 | Low | 164.2 Ų | 164.2 | 136.5 Ų | 136.5 | 88% | 0.878 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 7.1 | 170.3 | -72.1 | -39.9 | 0 | 0 | 0 | 114 | R1447 G1519 | R1447-D1521 IonicContact CZ-OD2 3.96Å; R1447-D1521 IonicContact NH1-OD2 3.51Å; R1447-D1521 IonicContact NH2-OD2 3.01Å; R1447-D1521 PolarHBondContact NH2-OD2 3.39Å; G1519-D1521 PolarHBondContact O-N 3.02Å; G1519-D1521 VanDerWaalsContact O-N 3.09Å |
| 1522 | K | 49.3 | Very low | 51.4 | Low | 156.4 Ų | 156.4 | 138.3 Ų | 138.3 | 68% | 0.68 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -107.5 | -8.7 | -171.5 | -73.8 | -176.7 | 179.9 | 169.9 | 0 | 116 | E1516 G1519 L1520 | E1516-K1522 HydrophobicContact CG-CD 4.32Å; E1516-K1522 IonicContact OE1-NZ 2.72Å; E1516-K1522 PolarHBondContact OE1-NZ 3.33Å; G1519-K1522 PolarHBondContact O-N 2.83Å; L1520-K1522 VanDerWaalsContact C-N 3.29Å; L1520-K1522 HydrophobicContact CD2-CD 4.09Å; L1520-K1522 PolarHBondContact O-N 3.11Å |
| 1523 | F | 42.8 | Very low | 51.9 | Low | 158.2 Ų | 158.2 | 134.6 Ų | 134.6 | 69% | 0.694 | 66% | 0.66 | S | S | * | * | trans | -133.6 | 102.4 | -179.1 | -66.9 | -76.9 | 0 | 0 | 0 | 111.9 | E1516 L1520 R1525 | E1516-F1523 HydrophobicContact CB-CE2 4.14Å; E1516-F1523 HydrophobicContact CG-CE2 3.77Å; E1516-F1523 HydrophobicContact CG-CZ 3.75Å; L1520-F1523 PolarHBondContact O-N 2.78Å; F1523-R1525 PolarHBondContact O-N 2.88Å; F1523-R1525 VanDerWaalsContact O-N 3.11Å | ||
| 1524 | P | 40.9 | Very low | 53 | Low | 126.4 Ų | 126.4 | 136.7 Ų | 136.7 | 82% | 0.821 | 67% | 0.672 | S | S | * | * | trans | -67.9 | 117.4 | 175.2 | 27.3 | -32.4 | 0 | 0 | 0 | 110.1 | K1526 | P1524-K1526 PolarHBondContact O-N 2.98Å; P1524-K1526 VanDerWaalsContact O-N 3.15Å | ||
| 1525 | R | 36.1 | Very low | 54.2 | Low | 230.8 Ų | 230.8 | 139.8 Ų | 139.8 | 87% | 0.871 | 68% | 0.68 | S | S | * | * | trans | -59.1 | 132.9 | 170.5 | -81 | -178.2 | 174.1 | 169.4 | -1 | 109.4 | F1523 E1527 | F1523-R1525 PolarHBondContact O-N 2.88Å; F1523-R1525 VanDerWaalsContact O-N 3.11Å; R1525-E1527 PolarHBondContact O-N 3.06Å; R1525-E1527 VanDerWaalsContact O-N 3.13Å | ||
| 1526 | K | 42.9 | Very low | 55.6 | Low | 201 Ų | 201 | 134.4 Ų | 134.4 | 87% | 0.874 | 66% | 0.655 | S | S | * | * | trans | -69.5 | 121.8 | 160.5 | -82.1 | -178.6 | 174.9 | 176.9 | 0 | 107.8 | P1524 I1528 | P1524-K1526 PolarHBondContact O-N 2.98Å; P1524-K1526 VanDerWaalsContact O-N 3.15Å; K1526-I1528 PolarHBondContact O-N 3.11Å; K1526-I1528 VanDerWaalsContact O-N 3.11Å | ||
| 1527 | E | 37.6 | Very low | 57 | Low | 190.2 Ų | 190.2 | 131.9 Ų | 131.9 | 89% | 0.889 | 65% | 0.648 | S | S | * | * | trans | -64.6 | 117.1 | 170.7 | -67.2 | 173.6 | 162 | 0 | 0 | 109.1 | R1525 | R1525-E1527 PolarHBondContact O-N 3.06Å; R1525-E1527 VanDerWaalsContact O-N 3.13Å | ||
| 1528 | I | 38.9 | Very low | 58.7 | Low | 150.4 Ų | 150.4 | 127.4 Ų | 127.4 | 77% | 0.771 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 131.8 | 162.6 | -59.1 | 172.7 | 0 | 0 | 0 | 105.3 | K1526 E1530 | K1526-I1528 PolarHBondContact O-N 3.11Å; K1526-I1528 VanDerWaalsContact O-N 3.11Å; I1528-E1530 PolarHBondContact O-N 3.04Å |
| 1529 | P | 49.3 | Very low | 60.1 | Low | 111 Ų | 111 | 124.8 Ų | 124.8 | 72% | 0.721 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -57 | 129.9 | -179.8 | 7.3 | -11.1 | 0 | 0 | 0 | 110.7 | I1531 | P1529-I1531 PolarHBondContact O-N 3.13Å; P1529-I1531 VanDerWaalsContact O-N 3.15Å |
| 1530 | E | 49.7 | Very low | 61.7 | Low | 149 Ų | 149 | 127 Ų | 127 | 70% | 0.696 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 127.5 | 174.1 | -67.4 | -163.5 | 131.2 | 0 | 0 | 109.6 | I1528 E1532 K1616 | I1528-E1530 PolarHBondContact O-N 3.04Å; E1530-E1532 PolarHBondContact O-N 2.96Å; E1530-E1532 VanDerWaalsContact O-N 3.11Å; E1530-K1616 IonicContact OE1-NZ 2.75Å; E1530-K1616 PolarHBondContact OE1-NZ 3.14Å; E1530-K1616 IonicContact OE2-NZ 2.74Å; E1530-K1616 PolarHBondContact OE2-NZ 3.03Å |
| 1531 | I | 59.1 | Low | 63.7 | Low | 119.2 Ų | 119.2 | 126.3 Ų | 126.3 | 61% | 0.611 | 61% | 0.612 | S | S | * | * | trans | -76.9 | 114.6 | 171.7 | -62.1 | 174.2 | 0 | 0 | 0 | 107.3 | P1529 Y1533 | P1529-I1531 PolarHBondContact O-N 3.13Å; P1529-I1531 VanDerWaalsContact O-N 3.15Å; I1531-Y1533 VanDerWaalsContact C-N 3.34Å; I1531-Y1533 HydrophobicContact CB-CE2 4.15Å; I1531-Y1533 HydrophobicContact CG2-CD1 4.39Å; I1531-Y1533 HydrophobicContact CG2-CD2 4.34Å; I1531-Y1533 HydrophobicContact CG2-CE1 4.17Å; I1531-Y1533 HydrophobicContact CG2-CE2 4.03Å; I1531-Y1533 HydrophobicContact CG2-CG 4.48Å; I1531-Y1533 WeakPolarHBondContact O-CD2 3.31Å; I1531-Y1533 PolarHBondContact O-N 2.88Å | ||
| 1532 | E | 66.1 | Low | 65.5 | Low | 187.2 Ų | 187.2 | 119 Ų | 119 | 88% | 0.875 | 57% | 0.573 | S | S | * | * | trans | -74.6 | 103.2 | 173.7 | -70.6 | -172.1 | 161 | 0 | 0 | 109.8 | E1530 | E1530-E1532 PolarHBondContact O-N 2.96Å; E1530-E1532 VanDerWaalsContact O-N 3.11Å | ||
| 1533 | Y | 75.4 | Confident | 67 | Low | 51.6 Ų | 51.6 | 117.3 Ų | 117.3 | 20% | 0.202 | 57% | 0.568 | C | S | . | * | P | Polyproline II helix | trans | -79.5 | 141.7 | 174.2 | -73.4 | -73.5 | 0 | 0 | 0 | 111.6 | I1531 P1562 D1564 D1565 S1617 | I1531-Y1533 VanDerWaalsContact C-N 3.34Å; I1531-Y1533 HydrophobicContact CB-CE2 4.15Å; I1531-Y1533 HydrophobicContact CG2-CD1 4.39Å; I1531-Y1533 HydrophobicContact CG2-CD2 4.34Å; I1531-Y1533 HydrophobicContact CG2-CE1 4.17Å; I1531-Y1533 HydrophobicContact CG2-CE2 4.03Å; I1531-Y1533 HydrophobicContact CG2-CG 4.48Å; I1531-Y1533 WeakPolarHBondContact O-CD2 3.31Å; I1531-Y1533 PolarHBondContact O-N 2.88Å; Y1533-P1562 HydrophobicContact CD1-CB 3.76Å; Y1533-P1562 HydrophobicContact CD1-CG 3.68Å; Y1533-P1562 HydrophobicContact CE1-CB 4.22Å; Y1533-P1562 HydrophobicContact CG-CG 4.14Å; Y1533-D1564 WeakPolarHBondContact CE1-OD2 3.43Å; Y1533-D1564 VanDerWaalsContact CZ-OD2 3.31Å; Y1533-D1564 PolarHBondContact OH-O 3Å; Y1533-D1564 VanDerWaalsContact OH-O 3.08Å; Y1533-D1564 PolarHBondContact OH-OD2 2.89Å; Y1533-D1565 WeakPolarHBondContact CB-OD2 3.27Å; Y1533-D1565 HydrophobicContact CD1-CB 3.98Å; Y1533-D1565 HydrophobicContact CD2-CB 3.69Å; Y1533-D1565 VanDerWaalsContact CD2-CG 3.43Å; Y1533-D1565 VanDerWaalsContact CD2-OD1 3.31Å; Y1533-D1565 WeakPolarHBondContact CD2-OD1 3.37Å; Y1533-D1565 HydrophobicContact CE1-CB 4.26Å; Y1533-D1565 HydrophobicContact CE2-CB 4Å; Y1533-D1565 HydrophobicContact CG-CB 3.69Å; Y1533-S1617 VanDerWaalsContact O-CB 3.26Å; Y1533-S1617 WeakPolarHBondContact O-CB 3.41Å; Y1533-S1617 PolarHBondContact O-OG 3Å |
| 1534 | E | 81.2 | Confident | 68.4 | Low | 163.6 Ų | 163.6 | 111.6 Ų | 111.6 | 76% | 0.764 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 164.6 | 171.1 | -64.3 | -168.6 | 174.3 | 0 | 0 | 111.5 | N1615 | E1534-N1615 PolarHBondContact O-ND2 3.14Š|
| 1535 | K | 85.7 | Confident | 70 | Confident | 129.6 Ų | 129.6 | 107.8 Ų | 107.8 | 56% | 0.563 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 144.3 | 174.2 | 69.2 | 173.9 | -173.5 | 168 | 0 | 110.4 | ||
| 1536 | P | 88.9 | Confident | 71.8 | Confident | 1 Ų | 1 | 102 Ų | 102 | 1% | 0.006 | 51% | 0.511 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 147.3 | -175.7 | 31.8 | -36.4 | 0 | 0 | 0 | 110.8 | K1561 L1568 I1613 N1615 G1618 A1620 | P1536-K1561 CarbonylContact C-O 3.55Å; P1536-K1561 WeakPolarHBondContact CA-O 3.37Å; P1536-L1568 HydrophobicContact CB-CD1 3.75Å; P1536-L1568 HydrophobicContact CG-CD1 4.2Å; P1536-I1613 HydrophobicContact CB-CB 4.47Å; P1536-I1613 HydrophobicContact CB-CD1 3.78Å; P1536-I1613 HydrophobicContact CB-CG1 3.9Å; P1536-I1613 HydrophobicContact CG-CD1 4.36Å; P1536-I1613 HydrophobicContact CG-CG1 3.95Å; P1536-N1615 VanDerWaalsContact CD-OD1 3.31Å; P1536-N1615 WeakPolarHBondContact CD-OD1 3.21Å; P1536-G1618 VanDerWaalsContact CD-O 3.32Å; P1536-G1618 WeakPolarHBondContact CD-O 3.26Å; P1536-A1620 WeakPolarHBondContact O-CB 3.33Å |
| 1537 | T | 90.6 | Very high | 73.4 | Confident | 67.4 Ų | 67.4 | 96.7 Ų | 96.7 | 41% | 0.413 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 144.7 | -179.3 | 54.5 | 0 | 0 | 0 | 0 | 110.4 | V1560 K1561 | T1537-V1560 CarbonylContact O-C 3.52Å; T1537-V1560 VanDerWaalsContact O-CA 3.29Å; T1537-V1560 WeakPolarHBondContact O-CA 3.36Å; T1537-K1561 PolarHBondContact N-O 2.9Å; T1537-K1561 PolarHBondContact O-N 2.88Å; T1537-K1561 PolarHBondContact OG1-O 2.93Å |
| 1538 | F | 90.8 | Very high | 75.5 | Confident | 35 Ų | 35 | 88.2 Ų | 88.2 | 15% | 0.154 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 124.1 | 171.3 | -68 | -88.8 | 0 | 0 | 0 | 109.4 | L1541 C1558 Q1559 V1560 C1611 I1613 A1620 S1621 | F1538-L1541 HydrophobicContact CB-CD2 3.7Å; F1538-L1541 HydrophobicContact CB-CG 4.43Å; F1538-L1541 HydrophobicContact CD2-CD2 4.38Å; F1538-L1541 HydrophobicContact CG-CD2 4.09Å; F1538-C1558 HydrophobicContact CD1-CB 4.05Å; F1538-C1558 HydrophobicContact CE1-CB 4.26Å; F1538-Q1559 CarbonylContact C-O 3.47Å; F1538-Q1559 VanDerWaalsContact CA-O 3.3Å; F1538-Q1559 WeakPolarHBondContact CA-O 3.34Å; F1538-V1560 HydrophobicContact CD1-CG1 3.78Å; F1538-V1560 HydrophobicContact CE1-CG1 3.79Å; F1538-V1560 HydrophobicContact CG-CG1 4.44Å; F1538-V1560 HydrophobicContact CZ-CG1 4.49Å; F1538-C1611 HydrophobicContact CE1-CB 4.41Å; F1538-C1611 HydrophobicContact CZ-CB 4.41Å; F1538-C1611 WeakPolarHBondContact CZ-O 3.36Å; F1538-I1613 HydrophobicContact CD1-CD1 4.42Å; F1538-I1613 HydrophobicContact CD2-CD1 4.02Å; F1538-I1613 HydrophobicContact CE1-CD1 4.03Å; F1538-I1613 HydrophobicContact CE1-CG2 4.47Å; F1538-I1613 HydrophobicContact CE2-CD1 3.56Å; F1538-I1613 VanDerWaalsContact CE2-CD1 3.47Å; F1538-I1613 HydrophobicContact CE2-CG1 3.82Å; F1538-I1613 HydrophobicContact CG-CD1 4.42Å; F1538-I1613 HydrophobicContact CZ-CD1 3.58Å; F1538-I1613 HydrophobicContact CZ-CG1 3.83Å; F1538-I1613 HydrophobicContact CZ-CG2 4.08Å; F1538-A1620 HydrophobicContact CD2-CB 4.14Å; F1538-A1620 HydrophobicContact CE2-CB 3.87Å; F1538-S1621 VanDerWaalsContact CE2-C 3.43Å |
| 1539 | V | 86.9 | Confident | 77.4 | Confident | 74.4 Ų | 74.4 | 82.9 Ų | 82.9 | 45% | 0.451 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | -40.6 | 169 | -176 | 0 | 0 | 0 | 0 | 109.5 | Q1559 K1561 | V1539-Q1559 HydrophobicContact CB-CB 4.05Å; V1539-Q1559 PolarHBondContact N-O 3.06Å; V1539-K1561 VanDerWaalsContact CG1-NZ 3.26Å; V1539-K1561 HydrophobicContact CG2-CB 3.93Å; V1539-K1561 HydrophobicContact CG2-CD 3.53Å; V1539-K1561 VanDerWaalsContact CG2-CD 3.46Å; V1539-K1561 HydrophobicContact CG2-CG 3.51Å; V1539-K1561 VanDerWaalsContact CG2-CG 3.46Å |
| 1540 | E | 85.9 | Confident | 79 | Confident | 83 Ų | 83 | 81.3 Ų | 81.3 | 39% | 0.388 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 130.4 | 176 | -172.7 | 168.1 | -155.5 | 0 | 0 | 107.2 | H1543 C1558 Q1559 | E1540-H1543 IonicContact OE1-CE1 3.42Å; E1540-C1558 WeakPolarHBondContact O-CA 3.37Å; E1540-C1558 VanDerWaalsContact O-CB 3.26Å; E1540-C1558 WeakPolarHBondContact O-CB 3.37Å; E1540-Q1559 HydrophobicContact CB-CB 3.93Å; E1540-Q1559 HydrophobicContact CB-CG 4.26Å; E1540-Q1559 PolarHBondContact N-O 2.83Å; E1540-Q1559 PolarHBondContact O-N 3.25Å; E1540-Q1559 VanDerWaalsContact O-N 3.12Å; E1540-Q1559 PolarHBondContact OE2-NE2 3.13Å; E1540-Q1559 VanDerWaalsContact OE2-NE2 3.1Å |
| 1541 | L | 88.7 | Confident | 80.4 | Confident | 101.8 Ų | 101.8 | 76.5 Ų | 76.5 | 53% | 0.533 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 160.8 | -178.7 | -66.4 | 168.7 | 0 | 0 | 0 | 110.2 | F1538 H1543 S1622 | F1538-L1541 HydrophobicContact CB-CD2 3.7Å; F1538-L1541 HydrophobicContact CB-CG 4.43Å; F1538-L1541 HydrophobicContact CD2-CD2 4.38Å; F1538-L1541 HydrophobicContact CG-CD2 4.09Å; L1541-H1543 PolarHBondContact O-CE1 3.12Å; L1541-H1543 PolarHBondContact O-N 3.18Å; L1541-H1543 PolarHBondContact O-ND1 3.03Å; L1541-H1543 VanDerWaalsContact O-ND1 3.17Å; L1541-S1622 WeakPolarHBondContact CD2-OG 3.29Å |
| 1542 | L | 88.2 | Confident | 81.7 | Confident | 11.4 Ų | 11.4 | 75.6 Ų | 75.6 | 6% | 0.06 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 128.1 | 168.7 | -65.2 | 178.2 | 0 | 0 | 0 | 109.9 | L1556 C1558 W1572 C1611 S1622 A1624 | L1542-L1556 HydrophobicContact CD2-CB 4.41Å; L1542-C1558 HydrophobicContact CD2-CB 3.72Å; L1542-C1558 VanDerWaalsContact CD2-SG 3.58Å; L1542-C1558 WeakPolarHBondContact CD2-SG 3.39Å; L1542-C1558 HydrophobicContact CG-CB 4.16Å; L1542-W1572 HydrophobicContact CD1-CH2 3.98Å; L1542-W1572 HydrophobicContact CD1-CZ3 3.7Å; L1542-W1572 HydrophobicContact CD2-CH2 3.5Å; L1542-W1572 VanDerWaalsContact CD2-CH2 3.47Å; L1542-W1572 HydrophobicContact CD2-CZ2 4.41Å; L1542-W1572 HydrophobicContact CD2-CZ3 4.1Å; L1542-W1572 HydrophobicContact CG-CH2 4.4Å; L1542-W1572 HydrophobicContact CG-CZ3 4.47Å; L1542-C1611 HydrophobicContact CD1-CB 3.79Å; L1542-C1611 HydrophobicContact CD2-CB 4.44Å; L1542-C1611 HydrophobicContact CG-CB 4.33Å; L1542-S1622 WeakPolarHBondContact CD1-O 3.36Å; L1542-S1622 PolarHBondContact N-OG 3.2Å; L1542-A1624 HydrophobicContact CB-CB 3.6Å; L1542-A1624 HydrophobicContact CD1-CB 4.38Å |
| 1543 | H | 81.4 | Confident | 82.7 | Confident | 121 Ų | 121 | 70.1 Ų | 70.1 | 56% | 0.56 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -93 | 139.3 | 170.1 | -62.3 | 95.3 | 0 | 0 | 0 | 109.5 | E1540 L1541 L1556 A1624 | E1540-H1543 IonicContact OE1-CE1 3.42Å; L1541-H1543 PolarHBondContact O-CE1 3.12Å; L1541-H1543 PolarHBondContact O-N 3.18Å; L1541-H1543 PolarHBondContact O-ND1 3.03Å; L1541-H1543 VanDerWaalsContact O-ND1 3.17Å; H1543-L1556 VanDerWaalsContact O-CD2 3.25Å; H1543-L1556 WeakPolarHBondContact O-CD2 3.22Å; H1543-A1624 WeakPolarHBondContact O-CB 3.25Å |
| 1544 | G | 72.8 | Confident | 83.2 | Confident | 39.6 Ų | 39.6 | 68 Ų | 68 | 41% | 0.408 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -72 | 150 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1625 | G1544-S1625 CarbonylContact C-O 3.52Å; G1544-S1625 WeakPolarHBondContact CA-O 3.4Å |
| 1545 | V | 72.9 | Confident | 83.6 | Confident | 44.8 Ų | 44.8 | 63.1 Ų | 63.1 | 27% | 0.272 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 107.9 | 170.3 | -161.2 | 0 | 0 | 0 | 0 | 107.4 | V1548 A1554 L1556 S1625 L1626 K1627 | V1545-V1548 HydrophobicContact CB-CG2 4.11Å; V1545-V1548 HydrophobicContact CG1-CG2 3.38Å; V1545-V1548 VanDerWaalsContact CG1-CG2 3.42Å; V1545-A1554 HydrophobicContact CG2-CB 4.38Å; V1545-L1556 HydrophobicContact CG2-CD2 3.98Å; V1545-L1556 HydrophobicContact CG2-CG 4.44Å; V1545-S1625 PolarHBondContact N-O 3.11Å; V1545-S1625 VanDerWaalsContact N-O 3.09Å; V1545-L1626 HydrophobicContact CB-CD1 4.04Å; V1545-L1626 WeakPolarHBondContact O-CA 3.36Å; V1545-L1626 WeakPolarHBondContact O-CD1 3.31Å; V1545-K1627 PolarHBondContact O-N 2.66Å; V1545-K1627 VanDerWaalsContact O-N 3.12Å |
| 1546 | E | 74 | Confident | 83.8 | Confident | 109.8 Ų | 109.8 | 57 Ų | 57 | 51% | 0.513 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 134.9 | -173.2 | -64.6 | -165.7 | 170.8 | 0 | 0 | 111.2 | D842 F843 C845 V1548 N1698 | D842-E1546 VanDerWaalsContact C-CD 3.45Å; D842-E1546 VanDerWaalsContact C-OE2 3.32Å; D842-E1546 HydrophobicContact CB-CB 3.35Å; D842-E1546 VanDerWaalsContact CB-CD 3.4Å; D842-E1546 HydrophobicContact CB-CG 3.43Å; D842-E1546 VanDerWaalsContact CB-CG 3.43Å; D842-E1546 WeakPolarHBondContact CB-OE2 3.32Å; D842-E1546 VanDerWaalsContact O-OE1 3.12Å; D842-E1546 WeakPolarHBondContact OD2-CA 3.41Å; F843-E1546 WeakPolarHBondContact CB-OE1 3.22Å; C845-E1546 WeakPolarHBondContact CA-OE2 3.33Å; C845-E1546 WeakPolarHBondContact CB-OE2 3.38Å; C845-E1546 PolarHBondContact N-OE2 3.02Å; C845-E1546 PolarHBondContact SG-OE1 2.84Å; C845-E1546 PolarHBondContact SG-OE2 2.84Å; E1546-V1548 PolarHBondContact O-N 3.42Å; E1546-N1698 HydrophobicContact CB-CB 3.96Å; E1546-N1698 HydrophobicContact CG-CB 3.83Å; E1546-N1698 VanDerWaalsContact OE1-CB 3.23Å; E1546-N1698 WeakPolarHBondContact OE1-CB 3.32Å; E1546-N1698 PolarHBondContact OE1-ND2 2.96Å; E1546-N1698 WeakPolarHBondContact OE2-CB 3.23Å |
| 1547 | E | 76.6 | Confident | 84 | Confident | 89.2 Ų | 89.2 | 58.2 Ų | 58.2 | 42% | 0.417 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 58.7 | 52.6 | 172.9 | -55.6 | -155.5 | 159.1 | 0 | 0 | 115.9 | R838 I840 N841 D842 K1627 I1629 V1701 | R838-E1547 PolarHBondContact NH2-O 3.17Å; I840-E1547 WeakPolarHBondContact CA-OE2 3.38Å; I840-E1547 HydrophobicContact CB-CB 4.11Å; I840-E1547 HydrophobicContact CD1-CB 4.34Å; I840-E1547 WeakPolarHBondContact CD1-O 3.29Å; I840-E1547 HydrophobicContact CG1-CB 3.84Å; I840-E1547 HydrophobicContact CG2-CB 3.47Å; I840-E1547 VanDerWaalsContact CG2-CB 3.47Å; I840-E1547 HydrophobicContact CG2-CG 3.8Å; N841-E1547 PolarHBondContact N-OE2 3.24Å; D842-E1547 HydrophobicContact CB-CG 3.97Å; D842-E1547 VanDerWaalsContact OD2-CG 3.25Å; D842-E1547 WeakPolarHBondContact OD2-CG 3.17Å; D842-E1547 PolarHBondContact OD2-N 3.25Å; E1547-K1627 WeakPolarHBondContact CA-O 3.33Å; E1547-K1627 HydrophobicContact CG-CD 4.08Å; E1547-K1627 PolarHBondContact N-O 2.84Å; E1547-K1627 VanDerWaalsContact N-O 3.15Å; E1547-K1627 IonicContact OE1-NZ 3.83Å; E1547-K1627 PolarHBondContact OE1-NZ 2.96Å; E1547-K1627 IonicContact OE2-NZ 2.62Å; E1547-K1627 PolarHBondContact OE2-NZ 3.03Å; E1547-I1629 HydrophobicContact CB-CD1 3.75Å; E1547-I1629 HydrophobicContact CB-CG1 4.38Å; E1547-I1629 HydrophobicContact CG-CD1 4.07Å; E1547-I1629 HydrophobicContact CG-CG1 4.41Å; E1547-V1701 VanDerWaalsContact OE2-CG2 3.27Å; E1547-V1701 WeakPolarHBondContact OE2-CG2 3.45Å |
| 1548 | V | 81.7 | Confident | 84 | Confident | 13 Ų | 13 | 55 Ų | 55 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 143.6 | 174.3 | -162.7 | 0 | 0 | 0 | 0 | 110.1 | V1545 E1546 E1552 L1601 L1626 K1627 V1628 I1629 | V1545-V1548 HydrophobicContact CB-CG2 4.11Å; V1545-V1548 HydrophobicContact CG1-CG2 3.38Å; V1545-V1548 VanDerWaalsContact CG1-CG2 3.42Å; E1546-V1548 PolarHBondContact O-N 3.42Å; V1548-E1552 HydrophobicContact CG1-CB 3.73Å; V1548-E1552 VanDerWaalsContact CG1-CB 3.46Å; V1548-E1552 HydrophobicContact CG1-CG 4.41Å; V1548-E1552 VanDerWaalsContact CG1-OE2 3.25Å; V1548-E1552 WeakPolarHBondContact CG1-OE2 3.39Å; V1548-L1601 HydrophobicContact CB-CD1 3.89Å; V1548-L1601 HydrophobicContact CG1-CD1 3.35Å; V1548-L1601 HydrophobicContact CG2-CD1 4.44Å; V1548-L1626 HydrophobicContact CG2-CD1 4.09Å; V1548-K1627 PolarHBondContact N-O 3.04Å; V1548-K1627 VanDerWaalsContact N-O 3.11Å; V1548-V1628 CarbonylContact O-C 3.56Å; V1548-V1628 VanDerWaalsContact O-CA 3.28Å; V1548-V1628 WeakPolarHBondContact O-CA 3.38Å; V1548-I1629 PolarHBondContact O-N 3.16Å |
| 1549 | A | 80 | Confident | 84 | Confident | 37.6 Ų | 37.6 | 57.2 Ų | 57.2 | 31% | 0.311 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 150 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G1551 E1552 | A1549-G1551 PolarHBondContact O-N 2.89Å; A1549-E1552 HydrophobicContact CB-CG 4.09Å; A1549-E1552 WeakPolarHBondContact CB-OE2 3.38Å; A1549-E1552 PolarHBondContact N-OE2 3.01Å; A1549-E1552 WeakPolarHBondContact O-CB 3.42Å; A1549-E1552 PolarHBondContact O-N 2.97Å; A1549-E1552 VanDerWaalsContact O-N 3.09Å |
| 1550 | E | 83.4 | Confident | 84.2 | Confident | 78.8 Ų | 78.8 | 53.9 Ų | 53.9 | 37% | 0.368 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 127.7 | 167.5 | -179.5 | 173.2 | -147.4 | 0 | 0 | 110.5 | V1603 V1628 I1629 G1630 S1631 | E1550-V1603 HydrophobicContact CB-CG2 4.44Å; E1550-V1603 HydrophobicContact CG-CG2 4.38Å; E1550-V1603 WeakPolarHBondContact OE1-CG2 3.4Å; E1550-V1628 HydrophobicContact CB-CG1 4.2Å; E1550-I1629 WeakPolarHBondContact CB-O 3.32Å; E1550-I1629 PolarHBondContact N-O 2.89Å; E1550-G1630 WeakPolarHBondContact OE2-CA 3.49Å; E1550-S1631 VanDerWaalsContact OE2-CB 3.27Å; E1550-S1631 WeakPolarHBondContact OE2-CB 3.32Å; E1550-S1631 PolarHBondContact OE2-N 3.17Å; E1550-S1631 PolarHBondContact OE2-OG 2.83Å |
| 1551 | G | 78.9 | Confident | 84.2 | Confident | 47 Ų | 47 | 55.1 Ų | 55.1 | 49% | 0.485 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | -18.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | A1549 P1600 L1601 | A1549-G1551 PolarHBondContact O-N 2.89Å; G1551-P1600 VanDerWaalsContact O-CB 3.31Å; G1551-P1600 WeakPolarHBondContact O-CB 3.28Å; G1551-L1601 PolarHBondContact N-O 2.98Å |
| 1552 | E | 85 | Confident | 84.1 | Confident | 101.6 Ų | 101.6 | 51.5 Ų | 51.5 | 48% | 0.475 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -76.5 | -173.4 | 174.9 | -69.6 | -177.8 | 149.1 | 0 | 0 | 111.9 | R838 V1548 A1549 P1600 L1601 | R838-E1552 IonicContact NH1-OE1 3.35Å; V1548-E1552 HydrophobicContact CG1-CB 3.73Å; V1548-E1552 VanDerWaalsContact CG1-CB 3.46Å; V1548-E1552 HydrophobicContact CG1-CG 4.41Å; V1548-E1552 VanDerWaalsContact CG1-OE2 3.25Å; V1548-E1552 WeakPolarHBondContact CG1-OE2 3.39Å; A1549-E1552 HydrophobicContact CB-CG 4.09Å; A1549-E1552 WeakPolarHBondContact CB-OE2 3.38Å; A1549-E1552 PolarHBondContact N-OE2 3.01Å; A1549-E1552 WeakPolarHBondContact O-CB 3.42Å; A1549-E1552 PolarHBondContact O-N 2.97Å; A1549-E1552 VanDerWaalsContact O-N 3.09Å; E1552-P1600 CarbonylContact O-C 3.45Å; E1552-P1600 VanDerWaalsContact O-C 3.23Å; E1552-P1600 VanDerWaalsContact O-CA 3.27Å; E1552-P1600 WeakPolarHBondContact O-CA 3.41Å; E1552-L1601 HydrophobicContact CB-CD1 4.46Å; E1552-L1601 VanDerWaalsContact O-CB 3.3Å; E1552-L1601 WeakPolarHBondContact O-CB 3.42Å; E1552-L1601 VanDerWaalsContact O-CG 3.25Å; E1552-L1601 WeakPolarHBondContact O-CG 3.32Å; E1552-L1601 PolarHBondContact O-N 2.96Å |
| 1553 | S | 87.9 | Confident | 83.7 | Confident | 71.2 Ų | 71.2 | 52.8 Ų | 52.8 | 50% | 0.498 | 31% | 0.308 | S | S | . | . | trans | -120.2 | 142.4 | 179.8 | -44.1 | 0 | 0 | 0 | 0 | 111.2 | I1598 V1599 | S1553-I1598 VanDerWaalsContact CA-O 3.28Å; S1553-I1598 WeakPolarHBondContact CA-O 3.36Å; S1553-V1599 WeakPolarHBondContact OG-CG1 3.27Å | ||
| 1554 | A | 86.1 | Confident | 83.5 | Confident | 6.6 Ų | 6.6 | 52.2 Ų | 52.2 | 6% | 0.055 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 142.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1545 D1597 I1598 L1601 L1626 | V1545-A1554 HydrophobicContact CG2-CB 4.38Å; A1554-D1597 CarbonylContact O-C 3.47Å; A1554-D1597 WeakPolarHBondContact O-CA 3.26Å; A1554-I1598 PolarHBondContact N-O 3.12Å; A1554-I1598 VanDerWaalsContact N-O 3.13Å; A1554-I1598 PolarHBondContact O-N 2.96Å; A1554-L1601 HydrophobicContact CB-CD1 3.92Å; A1554-L1601 HydrophobicContact CB-CD2 4.07Å; A1554-L1601 HydrophobicContact CB-CG 4.41Å; A1554-L1626 HydrophobicContact CB-CD1 3.84Å; A1554-L1626 HydrophobicContact CB-CD2 4.35Å |
| 1555 | S | 89.4 | Confident | 84 | Confident | 60.8 Ų | 60.8 | 50.7 Ų | 50.7 | 43% | 0.425 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 126 | 171.5 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | L1596 D1597 | S1555-L1596 WeakPolarHBondContact CA-O 3.45Å; S1555-D1597 WeakPolarHBondContact CA-OD1 3.35Å; S1555-D1597 WeakPolarHBondContact CB-OD1 3.23Å; S1555-D1597 PolarHBondContact OG-OD1 3.04Å |
| 1556 | L | 90.6 | Very high | 84.1 | Confident | 1.2 Ų | 1.2 | 53.5 Ų | 53.5 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 101.4 | 178 | -69.4 | 170.2 | 0 | 0 | 0 | 108.7 | L1542 H1543 V1545 W1572 A1595 L1596 Y1609 A1624 | L1542-L1556 HydrophobicContact CD2-CB 4.41Å; H1543-L1556 VanDerWaalsContact O-CD2 3.25Å; H1543-L1556 WeakPolarHBondContact O-CD2 3.22Å; V1545-L1556 HydrophobicContact CG2-CD2 3.98Å; V1545-L1556 HydrophobicContact CG2-CG 4.44Å; L1556-W1572 HydrophobicContact CB-CH2 4.05Å; L1556-W1572 HydrophobicContact CB-CZ3 4.37Å; L1556-W1572 HydrophobicContact CD1-CZ3 4.47Å; L1556-W1572 VanDerWaalsContact O-CH2 3.31Å; L1556-W1572 WeakPolarHBondContact O-CH2 3.32Å; L1556-A1595 CarbonylContact O-C 3.53Å; L1556-A1595 VanDerWaalsContact O-CA 3.26Å; L1556-A1595 WeakPolarHBondContact O-CA 3.27Å; L1556-L1596 HydrophobicContact CB-CB 4.34Å; L1556-L1596 HydrophobicContact CD1-CD2 4.32Å; L1556-L1596 PolarHBondContact N-O 3.03Å; L1556-L1596 PolarHBondContact O-N 2.96Å; L1556-Y1609 HydrophobicContact CD1-CD1 4.03Å; L1556-Y1609 HydrophobicContact CD1-CD2 3.8Å; L1556-Y1609 HydrophobicContact CD1-CE1 4.48Å; L1556-Y1609 HydrophobicContact CD1-CE2 4.34Å; L1556-Y1609 HydrophobicContact CD1-CG 3.53Å; L1556-Y1609 VanDerWaalsContact CD1-CG 3.49Å; L1556-A1624 HydrophobicContact CD2-CB 4.09Å |
| 1557 | A | 91.3 | Very high | 84.3 | Confident | 27.4 Ų | 27.4 | 51.4 Ų | 51.4 | 23% | 0.226 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 149.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y1593 V1594 A1595 | A1557-Y1593 HydrophobicContact CB-CE2 3.95Å; A1557-Y1593 VanDerWaalsContact CB-OH 3.3Å; A1557-Y1593 WeakPolarHBondContact CB-OH 3.31Å; A1557-V1594 CarbonylContact C-O 3.52Å; A1557-V1594 VanDerWaalsContact CA-O 3.31Å; A1557-V1594 WeakPolarHBondContact CA-O 3.34Å; A1557-A1595 HydrophobicContact CB-CB 4.09Å |
| 1558 | C | 91.2 | Very high | 84.7 | Confident | 0.4 Ų | 0.4 | 47.8 Ų | 47.8 | 0% | 0.003 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 164.8 | 173.9 | 56.8 | 0 | 0 | 0 | 0 | 111.1 | F1538 E1540 L1542 V1594 | F1538-C1558 HydrophobicContact CD1-CB 4.05Å; F1538-C1558 HydrophobicContact CE1-CB 4.26Å; E1540-C1558 WeakPolarHBondContact O-CA 3.37Å; E1540-C1558 VanDerWaalsContact O-CB 3.26Å; E1540-C1558 WeakPolarHBondContact O-CB 3.37Å; L1542-C1558 HydrophobicContact CD2-CB 3.72Å; L1542-C1558 VanDerWaalsContact CD2-SG 3.58Å; L1542-C1558 WeakPolarHBondContact CD2-SG 3.39Å; L1542-C1558 HydrophobicContact CG-CB 4.16Å; C1558-V1594 PolarHBondContact N-O 3.17Å; C1558-V1594 PolarHBondContact O-N 2.95Å; C1558-V1594 VanDerWaalsContact O-O 3.11Å; C1558-V1594 PolarHBondContact SG-O 3Å; C1558-V1594 VanDerWaalsContact SG-O 3.32Å |
| 1559 | Q | 90.3 | Very high | 85 | Confident | 81.6 Ų | 81.6 | 50.8 Ų | 50.8 | 38% | 0.381 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 142.4 | 176.2 | -68.8 | -171.8 | 17.2 | 0 | 0 | 111.3 | F1538 V1539 E1540 G1592 Y1593 | F1538-Q1559 CarbonylContact C-O 3.47Å; F1538-Q1559 VanDerWaalsContact CA-O 3.3Å; F1538-Q1559 WeakPolarHBondContact CA-O 3.34Å; V1539-Q1559 HydrophobicContact CB-CB 4.05Å; V1539-Q1559 PolarHBondContact N-O 3.06Å; E1540-Q1559 HydrophobicContact CB-CB 3.93Å; E1540-Q1559 HydrophobicContact CB-CG 4.26Å; E1540-Q1559 PolarHBondContact N-O 2.83Å; E1540-Q1559 PolarHBondContact O-N 3.25Å; E1540-Q1559 VanDerWaalsContact O-N 3.12Å; E1540-Q1559 PolarHBondContact OE2-NE2 3.13Å; E1540-Q1559 VanDerWaalsContact OE2-NE2 3.1Å; Q1559-G1592 CarbonylContact C-O 3.52Å; Q1559-G1592 VanDerWaalsContact CA-O 3.29Å; Q1559-G1592 WeakPolarHBondContact CA-O 3.35Å; Q1559-Y1593 HydrophobicContact CG-CD2 4.23Å |
| 1560 | V | 91.4 | Very high | 85.5 | Confident | 3.4 Ų | 3.4 | 50.9 Ų | 50.9 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 146.5 | -173 | -54.9 | 0 | 0 | 0 | 0 | 112 | T1537 F1538 L1568 G1592 V1594 I1613 | T1537-V1560 CarbonylContact O-C 3.52Å; T1537-V1560 VanDerWaalsContact O-CA 3.29Å; T1537-V1560 WeakPolarHBondContact O-CA 3.36Å; F1538-V1560 HydrophobicContact CD1-CG1 3.78Å; F1538-V1560 HydrophobicContact CE1-CG1 3.79Å; F1538-V1560 HydrophobicContact CG-CG1 4.44Å; F1538-V1560 HydrophobicContact CZ-CG1 4.49Å; V1560-L1568 HydrophobicContact CB-CD2 4.5Å; V1560-L1568 HydrophobicContact CG2-CD1 4.1Å; V1560-L1568 HydrophobicContact CG2-CD2 3.86Å; V1560-G1592 WeakPolarHBondContact CG2-O 3.31Å; V1560-G1592 PolarHBondContact N-O 2.86Å; V1560-V1594 HydrophobicContact CG1-CG2 4.29Å; V1560-V1594 HydrophobicContact CG2-CG2 4.15Å; V1560-I1613 HydrophobicContact CB-CD1 3.85Å; V1560-I1613 HydrophobicContact CG1-CD1 3.44Å; V1560-I1613 VanDerWaalsContact CG1-CD1 3.44Å; V1560-I1613 HydrophobicContact CG1-CG2 4.28Å |
| 1561 | K | 86.3 | Confident | 85.8 | Confident | 109.2 Ų | 109.2 | 50.7 Ų | 50.7 | 48% | 0.475 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 143.4 | 172.2 | -82.1 | 178.2 | -173.4 | 158.4 | 0 | 110.8 | P1536 T1537 V1539 | P1536-K1561 CarbonylContact C-O 3.55Å; P1536-K1561 WeakPolarHBondContact CA-O 3.37Å; T1537-K1561 PolarHBondContact N-O 2.9Å; T1537-K1561 PolarHBondContact O-N 2.88Å; T1537-K1561 PolarHBondContact OG1-O 2.93Å; V1539-K1561 VanDerWaalsContact CG1-NZ 3.26Å; V1539-K1561 HydrophobicContact CG2-CB 3.93Å; V1539-K1561 HydrophobicContact CG2-CD 3.53Å; V1539-K1561 VanDerWaalsContact CG2-CD 3.46Å; V1539-K1561 HydrophobicContact CG2-CG 3.51Å; V1539-K1561 VanDerWaalsContact CG2-CG 3.46Å |
| 1562 | P | 86.3 | Confident | 86.4 | Confident | 25.2 Ų | 25.2 | 49.1 Ų | 49.1 | 16% | 0.164 | 29% | 0.285 | C | S | . | . | cis | -68.1 | 146.4 | -2.6 | 26.7 | -31.9 | 0 | 0 | 0 | 112.9 | Y1533 D1564 D1565 L1568 | Y1533-P1562 HydrophobicContact CD1-CB 3.76Å; Y1533-P1562 HydrophobicContact CD1-CG 3.68Å; Y1533-P1562 HydrophobicContact CE1-CB 4.22Å; Y1533-P1562 HydrophobicContact CG-CG 4.14Å; P1562-D1564 WeakPolarHBondContact CB-OD1 3.4Å; P1562-D1565 HydrophobicContact CB-CB 4.37Å; P1562-D1565 HydrophobicContact CG-CB 3.96Å; P1562-L1568 WeakPolarHBondContact O-CD1 3.42Å | ||
| 1563 | A | 80.8 | Confident | 86.7 | Confident | 39.2 Ų | 39.2 | 45.4 Ų | 45.4 | 32% | 0.324 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -89.1 | -18.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1591 | A1563-F1591 WeakPolarHBondContact CB-O 3.32Š|
| 1564 | D | 77.2 | Confident | 86.8 | Confident | 107.8 Ų | 107.8 | 43.3 Ų | 43.3 | 58% | 0.576 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -106.2 | 5.9 | -171.2 | 18.1 | -45.9 | 0 | 0 | 0 | 113.1 | Y1533 P1562 A1566 | Y1533-D1564 WeakPolarHBondContact CE1-OD2 3.43Å; Y1533-D1564 VanDerWaalsContact CZ-OD2 3.31Å; Y1533-D1564 PolarHBondContact OH-O 3Å; Y1533-D1564 VanDerWaalsContact OH-O 3.08Å; Y1533-D1564 PolarHBondContact OH-OD2 2.89Å; P1562-D1564 WeakPolarHBondContact CB-OD1 3.4Å; D1564-A1566 PolarHBondContact O-N 3.04Å; D1564-A1566 VanDerWaalsContact O-N 3.13Å |
| 1565 | D | 82 | Confident | 86.9 | Confident | 9.2 Ų | 9.2 | 47.1 Ų | 47.1 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | trans | -79 | 103.9 | 179.4 | -176.7 | 2.1 | 0 | 0 | 0 | 111.6 | Y1533 P1562 N1567 L1568 N1615 | Y1533-D1565 WeakPolarHBondContact CB-OD2 3.27Å; Y1533-D1565 HydrophobicContact CD1-CB 3.98Å; Y1533-D1565 HydrophobicContact CD2-CB 3.69Å; Y1533-D1565 VanDerWaalsContact CD2-CG 3.43Å; Y1533-D1565 VanDerWaalsContact CD2-OD1 3.31Å; Y1533-D1565 WeakPolarHBondContact CD2-OD1 3.37Å; Y1533-D1565 HydrophobicContact CE1-CB 4.26Å; Y1533-D1565 HydrophobicContact CE2-CB 4Å; Y1533-D1565 HydrophobicContact CG-CB 3.69Å; P1562-D1565 HydrophobicContact CB-CB 4.37Å; P1562-D1565 HydrophobicContact CG-CB 3.96Å; D1565-N1567 PolarHBondContact O-N 3.24Å; D1565-N1567 VanDerWaalsContact O-N 3.07Å; D1565-N1567 WeakPolarHBondContact OD1-CA 3.31Å; D1565-N1567 VanDerWaalsContact OD1-CB 3.28Å; D1565-N1567 WeakPolarHBondContact OD1-CB 3.34Å; D1565-N1567 PolarHBondContact OD1-N 2.86Å; D1565-N1567 PolarHBondContact OD1-ND2 3.2Å; D1565-L1568 HydrophobicContact CB-CB 4.33Å; D1565-L1568 VanDerWaalsContact O-CB 3.24Å; D1565-L1568 WeakPolarHBondContact O-CB 3.19Å; D1565-L1568 PolarHBondContact O-N 2.94Å; D1565-N1615 WeakPolarHBondContact OD2-CB 3.4Å; D1565-N1615 VanDerWaalsContact OD2-CG 3.31Å; D1565-N1615 PolarHBondContact OD2-ND2 3.06Å | ||
| 1566 | A | 74.7 | Confident | 86.7 | Confident | 104 Ų | 104 | 50.1 Ų | 50.1 | 86% | 0.86 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -9.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1564 | D1564-A1566 PolarHBondContact O-N 3.04Å; D1564-A1566 VanDerWaalsContact O-N 3.13Å |
| 1567 | N | 79.2 | Confident | 86.4 | Confident | 65 Ų | 65 | 56.1 Ų | 56.1 | 35% | 0.348 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 3.9 | 175.3 | -49 | -89.7 | 0 | 0 | 0 | 112.9 | D1565 I1569 N1615 K1616 | D1565-N1567 PolarHBondContact O-N 3.24Å; D1565-N1567 VanDerWaalsContact O-N 3.07Å; D1565-N1567 WeakPolarHBondContact OD1-CA 3.31Å; D1565-N1567 VanDerWaalsContact OD1-CB 3.28Å; D1565-N1567 WeakPolarHBondContact OD1-CB 3.34Å; D1565-N1567 PolarHBondContact OD1-N 2.86Å; D1565-N1567 PolarHBondContact OD1-ND2 3.2Å; N1567-I1569 PolarHBondContact O-N 3.15Å; N1567-N1615 HydrophobicContact CB-CB 4.5Å; N1567-K1616 HydrophobicContact CB-CG 4.27Å; N1567-K1616 VanDerWaalsContact OD1-CE 3.27Å; N1567-K1616 WeakPolarHBondContact OD1-CE 3.25Å |
| 1568 | L | 85.1 | Confident | 86.1 | Confident | 14.6 Ų | 14.6 | 58.8 Ų | 58.8 | 8% | 0.076 | 33% | 0.325 | C | S | . | . | trans | -74.7 | 112.2 | -178.4 | -167.6 | 81 | 0 | 0 | 0 | 110.9 | P1536 V1560 P1562 D1565 V1570 H1589 I1613 R1614 N1615 | P1536-L1568 HydrophobicContact CB-CD1 3.75Å; P1536-L1568 HydrophobicContact CG-CD1 4.2Å; V1560-L1568 HydrophobicContact CB-CD2 4.5Å; V1560-L1568 HydrophobicContact CG2-CD1 4.1Å; V1560-L1568 HydrophobicContact CG2-CD2 3.86Å; P1562-L1568 WeakPolarHBondContact O-CD1 3.42Å; D1565-L1568 HydrophobicContact CB-CB 4.33Å; D1565-L1568 VanDerWaalsContact O-CB 3.24Å; D1565-L1568 WeakPolarHBondContact O-CB 3.19Å; D1565-L1568 PolarHBondContact O-N 2.94Å; L1568-V1570 HydrophobicContact CD2-CG2 4Å; L1568-H1589 PolarHBondContact O-CE1 2.66Å; L1568-I1613 HydrophobicContact CD1-CB 4.32Å; L1568-I1613 HydrophobicContact CD2-CB 4.14Å; L1568-I1613 HydrophobicContact CD2-CG2 4.31Å; L1568-R1614 WeakPolarHBondContact CA-O 3.37Å; L1568-N1615 HydrophobicContact CD1-CB 4.4Å | ||
| 1569 | I | 87.3 | Confident | 85.9 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 39% | 0.39 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 124.2 | -179.4 | -63.5 | 165.8 | 0 | 0 | 0 | 108.7 | N1567 I1613 R1614 | N1567-I1569 PolarHBondContact O-N 3.15Å; I1569-I1613 CarbonylContact O-C 3.57Å; I1569-I1613 WeakPolarHBondContact O-CA 3.31Å; I1569-R1614 HydrophobicContact CB-CG 3.9Å; I1569-R1614 HydrophobicContact CG2-CG 4.34Å; I1569-R1614 PolarHBondContact N-O 3.06Å; I1569-R1614 PolarHBondContact O-N 3.06Å |
| 1570 | V | 90.6 | Very high | 85.3 | Confident | 37.8 Ų | 37.8 | 59.5 Ų | 59.5 | 23% | 0.229 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 129.2 | 178.3 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | L1568 H1589 V1594 I1613 | L1568-V1570 HydrophobicContact CD2-CG2 4Å; V1570-H1589 HydrophobicContact CG2-CB 4.24Å; V1570-V1594 HydrophobicContact CG1-CG1 3.69Å; V1570-V1594 HydrophobicContact CG1-CG2 4.32Å; V1570-V1594 HydrophobicContact CG2-CG2 3.99Å; V1570-I1613 HydrophobicContact CG1-CG2 4.41Å; V1570-I1613 HydrophobicContact CG2-CG2 4.09Å |
| 1571 | E | 90.1 | Very high | 84.5 | Confident | 74.8 Ų | 74.8 | 66 Ų | 66 | 35% | 0.35 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 124.4 | 179.8 | -179.8 | 176 | -158 | 0 | 0 | 109.5 | L1573 K1612 | E1571-L1573 HydrophobicContact CG-CD1 4.2Å; E1571-L1573 HydrophobicContact CG-CG 4.41Å; E1571-K1612 HydrophobicContact CB-CB 4.37Å; E1571-K1612 PolarHBondContact N-O 2.94Å; E1571-K1612 PolarHBondContact O-N 2.93Å |
| 1572 | W | 91.7 | Very high | 84.1 | Confident | 13.6 Ų | 13.6 | 63.2 Ų | 63.2 | 5% | 0.052 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 128.2 | 176.4 | -78.1 | 99.5 | 0 | 0 | 0 | 110.5 | L1542 L1556 L1579 V1594 L1596 T1610 C1611 | L1542-W1572 HydrophobicContact CD1-CH2 3.98Å; L1542-W1572 HydrophobicContact CD1-CZ3 3.7Å; L1542-W1572 HydrophobicContact CD2-CH2 3.5Å; L1542-W1572 VanDerWaalsContact CD2-CH2 3.47Å; L1542-W1572 HydrophobicContact CD2-CZ2 4.41Å; L1542-W1572 HydrophobicContact CD2-CZ3 4.1Å; L1542-W1572 HydrophobicContact CG-CH2 4.4Å; L1542-W1572 HydrophobicContact CG-CZ3 4.47Å; L1556-W1572 HydrophobicContact CB-CH2 4.05Å; L1556-W1572 HydrophobicContact CB-CZ3 4.37Å; L1556-W1572 HydrophobicContact CD1-CZ3 4.47Å; L1556-W1572 VanDerWaalsContact O-CH2 3.31Å; L1556-W1572 WeakPolarHBondContact O-CH2 3.32Å; W1572-L1579 HydrophobicContact CB-CB 4.14Å; W1572-L1579 HydrophobicContact CB-CD2 4.17Å; W1572-L1579 WeakPolarHBondContact O-CB 3.39Å; W1572-L1579 PolarHBondContact O-N 2.97Å; W1572-V1594 HydrophobicContact CZ2-CG1 3.85Å; W1572-L1596 HydrophobicContact CD2-CB 4.01Å; W1572-L1596 HydrophobicContact CD2-CD1 4.38Å; W1572-L1596 HydrophobicContact CD2-CD2 4.06Å; W1572-L1596 HydrophobicContact CD2-CG 4.41Å; W1572-L1596 HydrophobicContact CE3-CB 4.18Å; W1572-L1596 HydrophobicContact CE3-CD2 3.75Å; W1572-L1596 HydrophobicContact CE3-CG 4.43Å; W1572-L1596 HydrophobicContact CG-CD1 4.36Å; W1572-L1596 HydrophobicContact CH2-CB 3.57Å; W1572-L1596 VanDerWaalsContact CH2-CB 3.49Å; W1572-L1596 HydrophobicContact CH2-CD2 4.4Å; W1572-L1596 HydrophobicContact CZ2-CB 3.44Å; W1572-L1596 VanDerWaalsContact CZ2-CB 3.46Å; W1572-L1596 HydrophobicContact CZ3-CB 3.96Å; W1572-L1596 HydrophobicContact CZ3-CD2 3.92Å; W1572-L1596 HydrophobicContact CZ3-CG 4.47Å; W1572-T1610 WeakPolarHBondContact CA-O 3.02Å; W1572-C1611 HydrophobicContact CD2-CB 4.25Å; W1572-C1611 HydrophobicContact CE3-CB 4.04Å; W1572-C1611 HydrophobicContact CH2-CB 3.95Å; W1572-C1611 HydrophobicContact CZ2-CB 4.09Å; W1572-C1611 HydrophobicContact CZ3-CB 3.9Å |
| 1573 | L | 91.7 | Very high | 83.6 | Confident | 23.6 Ų | 23.6 | 67.6 Ų | 67.6 | 12% | 0.124 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 140.2 | 176.5 | -53.9 | 112.4 | 0 | 0 | 0 | 110.4 | E1571 Q1577 P1578 Y1609 T1610 K1612 | E1571-L1573 HydrophobicContact CG-CD1 4.2Å; E1571-L1573 HydrophobicContact CG-CG 4.41Å; L1573-Q1577 CarbonylContact C-O 3.53Å; L1573-Q1577 VanDerWaalsContact CA-O 3.22Å; L1573-Q1577 WeakPolarHBondContact CA-O 3.32Å; L1573-Q1577 WeakPolarHBondContact CB-O 3.38Å; L1573-P1578 HydrophobicContact CD2-CG 4.49Å; L1573-Y1609 CarbonylContact O-C 3.45Å; L1573-Y1609 VanDerWaalsContact O-CA 3.32Å; L1573-Y1609 WeakPolarHBondContact O-CA 3.33Å; L1573-T1610 HydrophobicContact CD1-CG2 4.26Å; L1573-T1610 PolarHBondContact N-O 3.16Å; L1573-T1610 PolarHBondContact O-N 2.57Å; L1573-K1612 HydrophobicContact CD1-CB 4.01Å |
| 1574 | L | 90.2 | Very high | 84 | Confident | 28.8 Ų | 28.8 | 67.8 Ų | 67.8 | 15% | 0.151 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 121.4 | 167 | 172.9 | 57.9 | 0 | 0 | 0 | 108.3 | N1576 Q1577 L1579 I1608 Y1609 | L1574-N1576 VanDerWaalsContact C-N 3.27Å; L1574-N1576 PolarHBondContact O-N 3.06Å; L1574-Q1577 PolarHBondContact N-O 2.95Å; L1574-Q1577 WeakPolarHBondContact O-CB 3.5Å; L1574-Q1577 PolarHBondContact O-N 2.95Å; L1574-L1579 HydrophobicContact CB-CD1 3.77Å; L1574-L1579 HydrophobicContact CD2-CD1 4.04Å; L1574-L1579 HydrophobicContact CG-CD1 4.47Å; L1574-I1608 CarbonylContact C-O 3.56Å; L1574-I1608 WeakPolarHBondContact CA-O 3.38Å; L1574-Y1609 HydrophobicContact CB-CE1 4.31Å; L1574-Y1609 HydrophobicContact CD1-CD1 4.46Å; L1574-Y1609 HydrophobicContact CD1-CD2 4Å; L1574-Y1609 HydrophobicContact CD1-CE1 4.18Å; L1574-Y1609 HydrophobicContact CD1-CE2 3.6Å; L1574-Y1609 HydrophobicContact CD1-CG 4.41Å; L1574-Y1609 HydrophobicContact CD2-CE1 4.4Å; L1574-Y1609 HydrophobicContact CG-CE1 4.48Å |
| 1575 | N | 87.8 | Confident | 84.6 | Confident | 85.8 Ų | 85.8 | 63.5 Ų | 63.5 | 46% | 0.459 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 41.8 | -178.6 | -59.5 | -40.5 | 0 | 0 | 0 | 112.8 | Q1577 G1607 I1608 | N1575-Q1577 VanDerWaalsContact C-N 3.26Å; N1575-Q1577 PolarHBondContact O-N 2.79Å; N1575-Q1577 VanDerWaalsContact O-N 3.15Å; N1575-G1607 VanDerWaalsContact OD1-CA 3.29Å; N1575-G1607 WeakPolarHBondContact OD1-CA 3.32Å; N1575-I1608 PolarHBondContact N-O 2.75Å; N1575-I1608 PolarHBondContact OD1-N 3.05Å |
| 1576 | N | 84.5 | Confident | 84.8 | Confident | 123 Ų | 123 | 68 Ų | 68 | 66% | 0.658 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 15.7 | -174.3 | -58.6 | -39.6 | 0 | 0 | 0 | 115.9 | L1574 | L1574-N1576 VanDerWaalsContact C-N 3.27Å; L1574-N1576 PolarHBondContact O-N 3.06Å |
| 1577 | Q | 84.4 | Confident | 85.5 | Confident | 127.4 Ų | 127.4 | 67.1 Ų | 67.1 | 60% | 0.595 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 144.3 | 168.8 | -62 | -58.3 | -56.6 | 0 | 0 | 110.2 | L1573 L1574 N1575 L1579 | L1573-Q1577 CarbonylContact C-O 3.53Å; L1573-Q1577 VanDerWaalsContact CA-O 3.22Å; L1573-Q1577 WeakPolarHBondContact CA-O 3.32Å; L1573-Q1577 WeakPolarHBondContact CB-O 3.38Å; L1574-Q1577 PolarHBondContact N-O 2.95Å; L1574-Q1577 WeakPolarHBondContact O-CB 3.5Å; L1574-Q1577 PolarHBondContact O-N 2.95Å; N1575-Q1577 VanDerWaalsContact C-N 3.26Å; N1575-Q1577 PolarHBondContact O-N 2.79Å; N1575-Q1577 VanDerWaalsContact O-N 3.15Å; Q1577-L1579 PolarHBondContact O-N 2.83Å |
| 1578 | P | 86.2 | Confident | 85.9 | Confident | 83.6 Ų | 83.6 | 67.1 Ų | 67.1 | 54% | 0.543 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 128.2 | 176.6 | -25 | 34.6 | 0 | 0 | 0 | 111.5 | L1573 P1580 | L1573-P1578 HydrophobicContact CD2-CG 4.49Å; P1578-P1580 WeakPolarHBondContact O-CD 3.4Å |
| 1579 | L | 86.9 | Confident | 85.8 | Confident | 9 Ų | 9 | 70 Ų | 70 | 5% | 0.047 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 116.8 | -177.5 | -177.1 | 72 | 0 | 0 | 0 | 109.9 | W1572 L1574 Q1577 I1585 K1587 L1596 Y1609 | W1572-L1579 HydrophobicContact CB-CB 4.14Å; W1572-L1579 HydrophobicContact CB-CD2 4.17Å; W1572-L1579 WeakPolarHBondContact O-CB 3.39Å; W1572-L1579 PolarHBondContact O-N 2.97Å; L1574-L1579 HydrophobicContact CB-CD1 3.77Å; L1574-L1579 HydrophobicContact CD2-CD1 4.04Å; L1574-L1579 HydrophobicContact CG-CD1 4.47Å; Q1577-L1579 PolarHBondContact O-N 2.83Å; L1579-I1585 HydrophobicContact CD1-CD1 4.25Å; L1579-I1585 HydrophobicContact CD2-CD1 4.4Å; L1579-I1585 HydrophobicContact CD2-CG2 3.79Å; L1579-I1585 HydrophobicContact CG-CD1 4.4Å; L1579-I1585 HydrophobicContact CG-CG2 4.32Å; L1579-K1587 PolarHBondContact O-NZ 3.06Å; L1579-L1596 HydrophobicContact CD2-CD1 3.51Å; L1579-L1596 VanDerWaalsContact CD2-CD1 3.42Å; L1579-L1596 HydrophobicContact CD2-CD2 3.55Å; L1579-L1596 VanDerWaalsContact CD2-CD2 3.48Å; L1579-L1596 HydrophobicContact CD2-CG 4.17Å; L1579-Y1609 HydrophobicContact CD1-CD1 4.44Å; L1579-Y1609 HydrophobicContact CD1-CE1 3.82Å; L1579-Y1609 HydrophobicContact CD2-CD1 4.38Å; L1579-Y1609 HydrophobicContact CD2-CE1 4.06Å |
| 1580 | P | 77.9 | Confident | 85.4 | Confident | 88 Ų | 88 | 71.7 Ų | 71.7 | 57% | 0.571 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -62 | 149.6 | -177.9 | 17.3 | -23.2 | 0 | 0 | 0 | 111.7 | P1578 S1582 | P1578-P1580 WeakPolarHBondContact O-CD 3.4Å; P1580-S1582 PolarHBondContact O-N 3.35Å |
| 1581 | N | 73.5 | Confident | 84.9 | Confident | 140 Ų | 140 | 77.5 Ų | 77.5 | 75% | 0.749 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -75.9 | 134.2 | 171.8 | -69 | -9.8 | 0 | 0 | 0 | 109.4 | K1587 | N1581-K1587 PolarHBondContact OD1-NZ 2.96Š|
| 1582 | S | 77.4 | Confident | 84.5 | Confident | 50.2 Ų | 50.2 | 74.2 Ų | 74.2 | 35% | 0.351 | 39% | 0.39 | S | S | . | . | B | Isolated β-bridge | trans | -146.9 | 152.2 | 178.5 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | P1580 R1584 I1585 | P1580-S1582 PolarHBondContact O-N 3.35Å; S1582-R1584 PolarHBondContact O-N 2.93Å; S1582-R1584 VanDerWaalsContact O-N 3.13Å; S1582-R1584 PolarHBondContact OG-N 2.83Å; S1582-I1585 PolarHBondContact O-N 3.01Å; S1582-I1585 VanDerWaalsContact O-O 3.12Å |
| 1583 | S | 76.8 | Confident | 84.4 | Confident | 118.6 Ų | 118.6 | 78 Ų | 78 | 83% | 0.829 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -23.6 | 172.8 | 51.1 | 0 | 0 | 0 | 0 | 113 | I1585 | S1583-I1585 VanDerWaalsContact C-N 3.33Š|
| 1584 | R | 89.2 | Confident | 84.3 | Confident | 42.6 Ų | 42.6 | 76.9 Ų | 76.9 | 16% | 0.161 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -13.5 | 175.3 | -70.7 | -174.4 | -42.4 | 99.1 | -0.2 | 114.3 | S1582 I1598 V1599 P1600 D1605 | S1582-R1584 PolarHBondContact O-N 2.93Å; S1582-R1584 VanDerWaalsContact O-N 3.13Å; S1582-R1584 PolarHBondContact OG-N 2.83Å; R1584-I1598 VanDerWaalsContact NH1-CG2 3.29Å; R1584-I1598 CarbonylContact O-C 3.51Å; R1584-I1598 VanDerWaalsContact O-CA 3.3Å; R1584-I1598 WeakPolarHBondContact O-CA 3.19Å; R1584-V1599 VanDerWaalsContact CA-O 3.25Å; R1584-V1599 WeakPolarHBondContact CA-O 3.32Å; R1584-V1599 VanDerWaalsContact CB-O 3.28Å; R1584-V1599 WeakPolarHBondContact CB-O 3.37Å; R1584-V1599 VanDerWaalsContact CG-O 3.23Å; R1584-V1599 WeakPolarHBondContact CG-O 3.12Å; R1584-V1599 PolarHBondContact O-N 3.11Å; R1584-P1600 WeakPolarHBondContact CD-O 3.31Å; R1584-P1600 VanDerWaalsContact CG-O 3.27Å; R1584-P1600 WeakPolarHBondContact CG-O 3.22Å; R1584-P1600 PolarHBondContact NH1-O 3.31Å; R1584-D1605 IonicContact CZ-OD1 3.06Å; R1584-D1605 IonicContact CZ-OD2 3.39Å; R1584-D1605 VanDerWaalsContact CZ-OD2 3.25Å; R1584-D1605 IonicContact NH1-OD1 3.51Å; R1584-D1605 IonicContact NH1-OD2 3.1Å; R1584-D1605 PolarHBondContact NH1-OD2 2.87Å; R1584-D1605 VanDerWaalsContact NH2-CG 3.29Å; R1584-D1605 IonicContact NH2-OD1 3.41Å; R1584-D1605 PolarHBondContact NH2-OD1 3.05Å; R1584-D1605 IonicContact NH2-OD2 2.72Å; R1584-D1605 PolarHBondContact NH2-OD2 3Å |
| 1585 | I | 89.2 | Confident | 84.3 | Confident | 18.4 Ų | 18.4 | 75.6 Ų | 75.6 | 9% | 0.094 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 108.3 | -168.2 | -60.2 | 177.5 | 0 | 0 | 0 | 109.4 | L1579 S1582 S1583 L1596 D1597 I1598 | L1579-I1585 HydrophobicContact CD1-CD1 4.25Å; L1579-I1585 HydrophobicContact CD2-CD1 4.4Å; L1579-I1585 HydrophobicContact CD2-CG2 3.79Å; L1579-I1585 HydrophobicContact CG-CD1 4.4Å; L1579-I1585 HydrophobicContact CG-CG2 4.32Å; S1582-I1585 PolarHBondContact O-N 3.01Å; S1582-I1585 VanDerWaalsContact O-O 3.12Å; S1583-I1585 VanDerWaalsContact C-N 3.33Å; I1585-L1596 HydrophobicContact CG2-CD1 3.61Å; I1585-L1596 VanDerWaalsContact CG2-CD1 3.44Å; I1585-L1596 HydrophobicContact CG2-CG 4.41Å; I1585-D1597 CarbonylContact C-O 3.5Å; I1585-D1597 WeakPolarHBondContact CA-O 3.31Å; I1585-I1598 HydrophobicContact CG1-CG1 4.37Å; I1585-I1598 HydrophobicContact CG1-CG2 4.33Å |
| 1586 | Q | 86.2 | Confident | 84.5 | Confident | 103.2 Ų | 103.2 | 71.5 Ų | 71.5 | 48% | 0.482 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 131.5 | -179.2 | -58.2 | -179 | 6.9 | 0 | 0 | 109.8 | L1596 D1597 | Q1586-L1596 CarbonylContact O-C 3.49Å; Q1586-L1596 WeakPolarHBondContact O-CA 3.29Å; Q1586-D1597 HydrophobicContact CB-CB 4.35Å; Q1586-D1597 PolarHBondContact N-O 3.09Å; Q1586-D1597 PolarHBondContact O-N 3.04Å |
| 1587 | K | 89.9 | Confident | 84.8 | Confident | 85.6 Ų | 85.6 | 67.6 Ų | 67.6 | 37% | 0.372 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 118.8 | -176.6 | -67.1 | 167 | -177.4 | 172.7 | 0 | 108.4 | L1579 N1581 L1596 | L1579-K1587 PolarHBondContact O-NZ 3.06Å; N1581-K1587 PolarHBondContact OD1-NZ 2.96Å; K1587-L1596 HydrophobicContact CD-CD1 4.48Å; K1587-L1596 HydrophobicContact CG-CD1 3.56Å |
| 1588 | L | 86.4 | Confident | 85.1 | Confident | 64.8 Ų | 64.8 | 61.6 Ų | 61.6 | 34% | 0.339 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 137 | -178.1 | -166.6 | 84.2 | 0 | 0 | 0 | 110.3 | E1590 Y1593 V1594 A1595 | L1588-E1590 HydrophobicContact CD1-CG 4.23Å; L1588-E1590 HydrophobicContact CD2-CB 4.48Å; L1588-E1590 HydrophobicContact CD2-CG 4.07Å; L1588-E1590 HydrophobicContact CG-CG 4.48Å; L1588-Y1593 HydrophobicContact CD2-CD1 3.88Å; L1588-Y1593 HydrophobicContact CD2-CE1 3.94Å; L1588-V1594 CarbonylContact O-C 3.54Å; L1588-V1594 WeakPolarHBondContact O-CA 3.37Å; L1588-A1595 HydrophobicContact CB-CB 4.24Å; L1588-A1595 PolarHBondContact N-O 3.1Å; L1588-A1595 PolarHBondContact O-N 2.94Å; L1588-A1595 VanDerWaalsContact O-N 3.11Å |
| 1589 | H | 84.2 | Confident | 85.2 | Confident | 75.2 Ų | 75.2 | 60.6 Ų | 60.6 | 35% | 0.348 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 100.3 | 172.5 | 172.6 | -131.7 | 0 | 0 | 0 | 110 | L1568 V1570 Y1593 V1594 | L1568-H1589 PolarHBondContact O-CE1 2.66Å; V1570-H1589 HydrophobicContact CG2-CB 4.24Å; H1589-Y1593 CarbonylContact C-O 3.58Å; H1589-Y1593 VanDerWaalsContact CA-O 3.31Å; H1589-Y1593 WeakPolarHBondContact CA-O 3.27Å; H1589-V1594 HydrophobicContact CB-CG2 4.44Å; H1589-V1594 VanDerWaalsContact CD2-CG2 3.44Å; H1589-V1594 WeakPolarHBondContact CD2-CG2 3.21Å |
| 1590 | E | 79.3 | Confident | 85.2 | Confident | 111.4 Ų | 111.4 | 62.6 Ų | 62.6 | 52% | 0.521 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 132.4 | -177.7 | -62.6 | -169.9 | 164.3 | 0 | 0 | 110.3 | L1588 G1592 Y1593 | L1588-E1590 HydrophobicContact CD1-CG 4.23Å; L1588-E1590 HydrophobicContact CD2-CB 4.48Å; L1588-E1590 HydrophobicContact CD2-CG 4.07Å; L1588-E1590 HydrophobicContact CG-CG 4.48Å; E1590-G1592 PolarHBondContact O-N 3.02Å; E1590-G1592 VanDerWaalsContact O-N 3.1Å; E1590-Y1593 PolarHBondContact N-O 2.98Å; E1590-Y1593 VanDerWaalsContact N-O 3.07Å; E1590-Y1593 WeakPolarHBondContact O-CA 3.43Å; E1590-Y1593 WeakPolarHBondContact O-CB 3.29Å; E1590-Y1593 PolarHBondContact O-N 3.1Å |
| 1591 | F | 79.9 | Confident | 85.6 | Confident | 160.6 Ų | 160.6 | 58.4 Ų | 58.4 | 70% | 0.704 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 36 | 174.9 | -54.1 | -75.3 | 0 | 0 | 0 | 115.3 | T936 N1411 A1563 Y1593 | T936-F1591 HydrophobicContact CG2-CB 3.63Å; T936-F1591 HydrophobicContact CG2-CD1 4.07Å; T936-F1591 HydrophobicContact CG2-CG 4.06Å; N1411-F1591 WeakPolarHBondContact ND2-CZ 2.86Å; A1563-F1591 WeakPolarHBondContact CB-O 3.32Å; F1591-Y1593 VanDerWaalsContact C-N 3.3Å; F1591-Y1593 PolarHBondContact O-N 2.88Å |
| 1592 | G | 80.4 | Confident | 86.2 | Confident | 3.8 Ų | 3.8 | 55 Ų | 55 | 4% | 0.039 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | 3.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q1559 V1560 E1590 | Q1559-G1592 CarbonylContact C-O 3.52Å; Q1559-G1592 VanDerWaalsContact CA-O 3.29Å; Q1559-G1592 WeakPolarHBondContact CA-O 3.35Å; V1560-G1592 WeakPolarHBondContact CG2-O 3.31Å; V1560-G1592 PolarHBondContact N-O 2.86Å; E1590-G1592 PolarHBondContact O-N 3.02Å; E1590-G1592 VanDerWaalsContact O-N 3.1Å |
| 1593 | Y | 89.6 | Confident | 86.6 | Confident | 94.8 Ų | 94.8 | 55.6 Ų | 55.6 | 37% | 0.372 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 130 | 164.5 | -176.1 | -107.7 | 0 | 0 | 0 | 109.5 | A1557 Q1559 L1588 H1589 E1590 F1591 A1595 | A1557-Y1593 HydrophobicContact CB-CE2 3.95Å; A1557-Y1593 VanDerWaalsContact CB-OH 3.3Å; A1557-Y1593 WeakPolarHBondContact CB-OH 3.31Å; Q1559-Y1593 HydrophobicContact CG-CD2 4.23Å; L1588-Y1593 HydrophobicContact CD2-CD1 3.88Å; L1588-Y1593 HydrophobicContact CD2-CE1 3.94Å; H1589-Y1593 CarbonylContact C-O 3.58Å; H1589-Y1593 VanDerWaalsContact CA-O 3.31Å; H1589-Y1593 WeakPolarHBondContact CA-O 3.27Å; E1590-Y1593 PolarHBondContact N-O 2.98Å; E1590-Y1593 VanDerWaalsContact N-O 3.07Å; E1590-Y1593 WeakPolarHBondContact O-CA 3.43Å; E1590-Y1593 WeakPolarHBondContact O-CB 3.29Å; E1590-Y1593 PolarHBondContact O-N 3.1Å; F1591-Y1593 VanDerWaalsContact C-N 3.3Å; F1591-Y1593 PolarHBondContact O-N 2.88Å; Y1593-A1595 HydrophobicContact CD1-CB 4.42Å; Y1593-A1595 HydrophobicContact CE1-CB 3.71Å |
| 1594 | V | 90.4 | Very high | 87 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 121.8 | 179.9 | 174.3 | 0 | 0 | 0 | 0 | 108.7 | A1557 C1558 V1560 V1570 W1572 L1588 H1589 | A1557-V1594 CarbonylContact C-O 3.52Å; A1557-V1594 VanDerWaalsContact CA-O 3.31Å; A1557-V1594 WeakPolarHBondContact CA-O 3.34Å; C1558-V1594 PolarHBondContact N-O 3.17Å; C1558-V1594 PolarHBondContact O-N 2.95Å; C1558-V1594 VanDerWaalsContact O-O 3.11Å; C1558-V1594 PolarHBondContact SG-O 3Å; C1558-V1594 VanDerWaalsContact SG-O 3.32Å; V1560-V1594 HydrophobicContact CG1-CG2 4.29Å; V1560-V1594 HydrophobicContact CG2-CG2 4.15Å; V1570-V1594 HydrophobicContact CG1-CG1 3.69Å; V1570-V1594 HydrophobicContact CG1-CG2 4.32Å; V1570-V1594 HydrophobicContact CG2-CG2 3.99Å; W1572-V1594 HydrophobicContact CZ2-CG1 3.85Å; L1588-V1594 CarbonylContact O-C 3.54Å; L1588-V1594 WeakPolarHBondContact O-CA 3.37Å; H1589-V1594 HydrophobicContact CB-CG2 4.44Å; H1589-V1594 VanDerWaalsContact CD2-CG2 3.44Å; H1589-V1594 WeakPolarHBondContact CD2-CG2 3.21Å |
| 1595 | A | 90.9 | Very high | 86.9 | Confident | 1.2 Ų | 1.2 | 52.6 Ų | 52.6 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 156.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1556 A1557 L1588 Y1593 | L1556-A1595 CarbonylContact O-C 3.53Å; L1556-A1595 VanDerWaalsContact O-CA 3.26Å; L1556-A1595 WeakPolarHBondContact O-CA 3.27Å; A1557-A1595 HydrophobicContact CB-CB 4.09Å; L1588-A1595 HydrophobicContact CB-CB 4.24Å; L1588-A1595 PolarHBondContact N-O 3.1Å; L1588-A1595 PolarHBondContact O-N 2.94Å; L1588-A1595 VanDerWaalsContact O-N 3.11Å; Y1593-A1595 HydrophobicContact CD1-CB 4.42Å; Y1593-A1595 HydrophobicContact CE1-CB 3.71Å |
| 1596 | L | 91.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 112.7 | 173.5 | 179.1 | 77.9 | 0 | 0 | 0 | 109.1 | S1555 L1556 W1572 L1579 I1585 Q1586 K1587 I1598 Y1609 | S1555-L1596 WeakPolarHBondContact CA-O 3.45Å; L1556-L1596 HydrophobicContact CB-CB 4.34Å; L1556-L1596 HydrophobicContact CD1-CD2 4.32Å; L1556-L1596 PolarHBondContact N-O 3.03Å; L1556-L1596 PolarHBondContact O-N 2.96Å; W1572-L1596 HydrophobicContact CD2-CB 4.01Å; W1572-L1596 HydrophobicContact CD2-CD1 4.38Å; W1572-L1596 HydrophobicContact CD2-CD2 4.06Å; W1572-L1596 HydrophobicContact CD2-CG 4.41Å; W1572-L1596 HydrophobicContact CE3-CB 4.18Å; W1572-L1596 HydrophobicContact CE3-CD2 3.75Å; W1572-L1596 HydrophobicContact CE3-CG 4.43Å; W1572-L1596 HydrophobicContact CG-CD1 4.36Å; W1572-L1596 HydrophobicContact CH2-CB 3.57Å; W1572-L1596 VanDerWaalsContact CH2-CB 3.49Å; W1572-L1596 HydrophobicContact CH2-CD2 4.4Å; W1572-L1596 HydrophobicContact CZ2-CB 3.44Å; W1572-L1596 VanDerWaalsContact CZ2-CB 3.46Å; W1572-L1596 HydrophobicContact CZ3-CB 3.96Å; W1572-L1596 HydrophobicContact CZ3-CD2 3.92Å; W1572-L1596 HydrophobicContact CZ3-CG 4.47Å; L1579-L1596 HydrophobicContact CD2-CD1 3.51Å; L1579-L1596 VanDerWaalsContact CD2-CD1 3.42Å; L1579-L1596 HydrophobicContact CD2-CD2 3.55Å; L1579-L1596 VanDerWaalsContact CD2-CD2 3.48Å; L1579-L1596 HydrophobicContact CD2-CG 4.17Å; I1585-L1596 HydrophobicContact CG2-CD1 3.61Å; I1585-L1596 VanDerWaalsContact CG2-CD1 3.44Å; I1585-L1596 HydrophobicContact CG2-CG 4.41Å; Q1586-L1596 CarbonylContact O-C 3.49Å; Q1586-L1596 WeakPolarHBondContact O-CA 3.29Å; K1587-L1596 HydrophobicContact CD-CD1 4.48Å; K1587-L1596 HydrophobicContact CG-CD1 3.56Å; L1596-I1598 HydrophobicContact CD2-CD1 4.29Å; L1596-I1598 HydrophobicContact CD2-CG1 4.33Å; L1596-I1598 HydrophobicContact CG-CG1 4.37Å; L1596-Y1609 HydrophobicContact CD2-CD1 3.37Å; L1596-Y1609 HydrophobicContact CD2-CE1 3.65Å; L1596-Y1609 HydrophobicContact CD2-CG 4.37Å |
| 1597 | D | 90.7 | Very high | 87.1 | Confident | 42.2 Ų | 42.2 | 50 Ų | 50 | 23% | 0.226 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 132.3 | 179.1 | -54.9 | -49.7 | 0 | 0 | 0 | 109.9 | A1554 S1555 I1585 Q1586 V1599 | A1554-D1597 CarbonylContact O-C 3.47Å; A1554-D1597 WeakPolarHBondContact O-CA 3.26Å; S1555-D1597 WeakPolarHBondContact CA-OD1 3.35Å; S1555-D1597 WeakPolarHBondContact CB-OD1 3.23Å; S1555-D1597 PolarHBondContact OG-OD1 3.04Å; I1585-D1597 CarbonylContact C-O 3.5Å; I1585-D1597 WeakPolarHBondContact CA-O 3.31Å; Q1586-D1597 HydrophobicContact CB-CB 4.35Å; Q1586-D1597 PolarHBondContact N-O 3.09Å; Q1586-D1597 PolarHBondContact O-N 3.04Å; D1597-V1599 HydrophobicContact CB-CG2 4.42Å |
| 1598 | I | 90.6 | Very high | 87.2 | Confident | 0.8 Ų | 0.8 | 50.2 Ų | 50.2 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 112.5 | -178.8 | -51.1 | 179.2 | 0 | 0 | 0 | 108.8 | S1553 A1554 R1584 I1585 L1596 L1601 Y1609 L1626 | S1553-I1598 VanDerWaalsContact CA-O 3.28Å; S1553-I1598 WeakPolarHBondContact CA-O 3.36Å; A1554-I1598 PolarHBondContact N-O 3.12Å; A1554-I1598 VanDerWaalsContact N-O 3.13Å; A1554-I1598 PolarHBondContact O-N 2.96Å; R1584-I1598 VanDerWaalsContact NH1-CG2 3.29Å; R1584-I1598 CarbonylContact O-C 3.51Å; R1584-I1598 VanDerWaalsContact O-CA 3.3Å; R1584-I1598 WeakPolarHBondContact O-CA 3.19Å; I1585-I1598 HydrophobicContact CG1-CG1 4.37Å; I1585-I1598 HydrophobicContact CG1-CG2 4.33Å; L1596-I1598 HydrophobicContact CD2-CD1 4.29Å; L1596-I1598 HydrophobicContact CD2-CG1 4.33Å; L1596-I1598 HydrophobicContact CG-CG1 4.37Å; I1598-L1601 HydrophobicContact CB-CD2 3.95Å; I1598-L1601 HydrophobicContact CG2-CD2 3.76Å; I1598-Y1609 HydrophobicContact CD1-CD1 4.31Å; I1598-Y1609 HydrophobicContact CD1-CE1 3.65Å; I1598-Y1609 VanDerWaalsContact CD1-CE1 3.44Å; I1598-Y1609 HydrophobicContact CD1-CE2 4.4Å; I1598-Y1609 VanDerWaalsContact CD1-CZ 3.42Å; I1598-Y1609 VanDerWaalsContact CD1-OH 3.25Å; I1598-Y1609 WeakPolarHBondContact CD1-OH 3.37Å; I1598-L1626 HydrophobicContact CD1-CD2 4.12Å |
| 1599 | V | 88.1 | Confident | 87.5 | Confident | 62.2 Ų | 62.2 | 47.2 Ų | 47.2 | 38% | 0.377 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -142.5 | 117.5 | -170.6 | -171 | 0 | 0 | 0 | 0 | 111.2 | S1553 R1584 D1597 | S1553-V1599 WeakPolarHBondContact OG-CG1 3.27Å; R1584-V1599 VanDerWaalsContact CA-O 3.25Å; R1584-V1599 WeakPolarHBondContact CA-O 3.32Å; R1584-V1599 VanDerWaalsContact CB-O 3.28Å; R1584-V1599 WeakPolarHBondContact CB-O 3.37Å; R1584-V1599 VanDerWaalsContact CG-O 3.23Å; R1584-V1599 WeakPolarHBondContact CG-O 3.12Å; R1584-V1599 PolarHBondContact O-N 3.11Å; D1597-V1599 HydrophobicContact CB-CG2 4.42Å |
| 1600 | P | 85.8 | Confident | 87.9 | Confident | 51.6 Ų | 51.6 | 44.1 Ų | 44.1 | 34% | 0.335 | 24% | 0.238 | S | C | . | . | S | Bend | cis | -74.3 | 168.8 | -17.7 | 33.5 | -36.8 | 0 | 0 | 0 | 111.9 | G1551 E1552 R1584 | G1551-P1600 VanDerWaalsContact O-CB 3.31Å; G1551-P1600 WeakPolarHBondContact O-CB 3.28Å; E1552-P1600 CarbonylContact O-C 3.45Å; E1552-P1600 VanDerWaalsContact O-C 3.23Å; E1552-P1600 VanDerWaalsContact O-CA 3.27Å; E1552-P1600 WeakPolarHBondContact O-CA 3.41Å; R1584-P1600 WeakPolarHBondContact CD-O 3.31Å; R1584-P1600 VanDerWaalsContact CG-O 3.27Å; R1584-P1600 WeakPolarHBondContact CG-O 3.22Å; R1584-P1600 PolarHBondContact NH1-O 3.31Å |
| 1601 | L | 87.7 | Confident | 88.5 | Confident | 0.2 Ų | 0.2 | 38.8 Ų | 38.8 | 0% | 0.001 | 21% | 0.213 | C | C | . | . | trans | -81.5 | 140.1 | 174 | -72.8 | 167.4 | 0 | 0 | 0 | 113 | V1548 G1551 E1552 A1554 I1598 D1605 L1626 V1628 | V1548-L1601 HydrophobicContact CB-CD1 3.89Å; V1548-L1601 HydrophobicContact CG1-CD1 3.35Å; V1548-L1601 HydrophobicContact CG2-CD1 4.44Å; G1551-L1601 PolarHBondContact N-O 2.98Å; E1552-L1601 HydrophobicContact CB-CD1 4.46Å; E1552-L1601 VanDerWaalsContact O-CB 3.3Å; E1552-L1601 WeakPolarHBondContact O-CB 3.42Å; E1552-L1601 VanDerWaalsContact O-CG 3.25Å; E1552-L1601 WeakPolarHBondContact O-CG 3.32Å; E1552-L1601 PolarHBondContact O-N 2.96Å; A1554-L1601 HydrophobicContact CB-CD1 3.92Å; A1554-L1601 HydrophobicContact CB-CD2 4.07Å; A1554-L1601 HydrophobicContact CB-CG 4.41Å; I1598-L1601 HydrophobicContact CB-CD2 3.95Å; I1598-L1601 HydrophobicContact CG2-CD2 3.76Å; L1601-D1605 HydrophobicContact CD2-CB 4.37Å; L1601-L1626 HydrophobicContact CD2-CD2 3.8Å; L1601-V1628 HydrophobicContact CB-CG1 4.28Å; L1601-V1628 HydrophobicContact CB-CG2 4.25Å; L1601-V1628 HydrophobicContact CD1-CG2 4.42Å; L1601-V1628 HydrophobicContact CD2-CG2 4.14Å; L1601-V1628 HydrophobicContact CG-CG2 4.45Å | ||
| 1602 | L | 86.5 | Confident | 89.1 | Confident | 66.6 Ų | 66.6 | 33.6 Ų | 33.6 | 35% | 0.349 | 19% | 0.19 | S | C | . | . | trans | -115.6 | 155 | 171.3 | -60.4 | 178.5 | 0 | 0 | 0 | 110.2 | S1604 D1605 | L1602-S1604 WeakPolarHBondContact CB-OG 3.3Å; L1602-S1604 PolarHBondContact O-N 2.97Å; L1602-S1604 VanDerWaalsContact O-N 3.1Å; L1602-D1605 PolarHBondContact N-OD2 2.98Å; L1602-D1605 VanDerWaalsContact O-CB 3.3Å; L1602-D1605 WeakPolarHBondContact O-CB 3.34Å; L1602-D1605 PolarHBondContact O-N 2.93Å | ||
| 1603 | V | 84.1 | Confident | 89.7 | Confident | 64.2 Ų | 64.2 | 33.4 Ų | 33.4 | 39% | 0.389 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -54.9 | -32.7 | 175.3 | -173.8 | 0 | 0 | 0 | 0 | 112.1 | E1550 D1605 T1606 G1630 | E1550-V1603 HydrophobicContact CB-CG2 4.44Å; E1550-V1603 HydrophobicContact CG-CG2 4.38Å; E1550-V1603 WeakPolarHBondContact OE1-CG2 3.4Å; V1603-D1605 PolarHBondContact O-N 2.97Å; V1603-T1606 VanDerWaalsContact O-CB 3.28Å; V1603-T1606 WeakPolarHBondContact O-CB 3.3Å; V1603-T1606 PolarHBondContact O-N 3.22Å; V1603-T1606 PolarHBondContact O-OG1 3.01Å; V1603-T1606 VanDerWaalsContact O-OG1 3.08Å; V1603-G1630 VanDerWaalsContact CG2-CA 3.42Å |
| 1604 | S | 85.1 | Confident | 89.7 | Confident | 87.8 Ų | 87.8 | 34.2 Ų | 34.2 | 61% | 0.614 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -63.5 | -19 | 175.9 | 56.4 | 0 | 0 | 0 | 0 | 114.9 | L1602 T1606 | L1602-S1604 WeakPolarHBondContact CB-OG 3.3Å; L1602-S1604 PolarHBondContact O-N 2.97Å; L1602-S1604 VanDerWaalsContact O-N 3.1Å; S1604-T1606 VanDerWaalsContact C-N 3.28Å; S1604-T1606 PolarHBondContact O-N 2.95Å |
| 1605 | D | 88.6 | Confident | 89.5 | Confident | 9.4 Ų | 9.4 | 35.1 Ų | 35.1 | 5% | 0.05 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -81.5 | -4.2 | 179.4 | -54.4 | -29.1 | 0 | 0 | 0 | 111.8 | R1584 L1601 L1602 V1603 G1607 Y1609 L1626 V1628 | R1584-D1605 IonicContact CZ-OD1 3.06Å; R1584-D1605 IonicContact CZ-OD2 3.39Å; R1584-D1605 VanDerWaalsContact CZ-OD2 3.25Å; R1584-D1605 IonicContact NH1-OD1 3.51Å; R1584-D1605 IonicContact NH1-OD2 3.1Å; R1584-D1605 PolarHBondContact NH1-OD2 2.87Å; R1584-D1605 VanDerWaalsContact NH2-CG 3.29Å; R1584-D1605 IonicContact NH2-OD1 3.41Å; R1584-D1605 PolarHBondContact NH2-OD1 3.05Å; R1584-D1605 IonicContact NH2-OD2 2.72Å; R1584-D1605 PolarHBondContact NH2-OD2 3Å; L1601-D1605 HydrophobicContact CD2-CB 4.37Å; L1602-D1605 PolarHBondContact N-OD2 2.98Å; L1602-D1605 VanDerWaalsContact O-CB 3.3Å; L1602-D1605 WeakPolarHBondContact O-CB 3.34Å; L1602-D1605 PolarHBondContact O-N 2.93Å; V1603-D1605 PolarHBondContact O-N 2.97Å; D1605-G1607 PolarHBondContact O-N 3.1Å; D1605-Y1609 VanDerWaalsContact O-CE2 3.27Å; D1605-Y1609 WeakPolarHBondContact O-CE2 3.35Å; D1605-Y1609 PolarHBondContact O-OH 3.03Å; D1605-L1626 HydrophobicContact CB-CD2 4.37Å; D1605-V1628 HydrophobicContact CB-CG2 4.49Å |
| 1606 | T | 89.3 | Confident | 89 | Confident | 55.6 Ų | 55.6 | 41.4 Ų | 41.4 | 34% | 0.341 | 22% | 0.222 | S | C | . | . | trans | -61.9 | 123.8 | 174.1 | -64.3 | 0 | 0 | 0 | 0 | 111.3 | V1603 S1604 L1626 K1627 V1628 | V1603-T1606 VanDerWaalsContact O-CB 3.28Å; V1603-T1606 WeakPolarHBondContact O-CB 3.3Å; V1603-T1606 PolarHBondContact O-N 3.22Å; V1603-T1606 PolarHBondContact O-OG1 3.01Å; V1603-T1606 VanDerWaalsContact O-OG1 3.08Å; S1604-T1606 VanDerWaalsContact C-N 3.28Å; S1604-T1606 PolarHBondContact O-N 2.95Å; T1606-L1626 WeakPolarHBondContact CA-O 3.39Å; T1606-K1627 HydrophobicContact CG2-CG 4.36Å; T1606-V1628 PolarHBondContact OG1-N 3.15Å; T1606-V1628 PolarHBondContact OG1-O 2.97Å | ||
| 1607 | G | 89.1 | Confident | 88.5 | Confident | 12.2 Ų | 12.2 | 44.6 Ų | 44.6 | 13% | 0.126 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.7 | -170.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | N1575 D1605 S1625 L1626 | N1575-G1607 VanDerWaalsContact OD1-CA 3.29Å; N1575-G1607 WeakPolarHBondContact OD1-CA 3.32Å; D1605-G1607 PolarHBondContact O-N 3.1Å; G1607-S1625 WeakPolarHBondContact O-CA 3.42Å; G1607-L1626 PolarHBondContact N-O 3.2Å; G1607-L1626 PolarHBondContact O-N 3.09Å |
| 1608 | I | 91.8 | Very high | 88.3 | Confident | 90.6 Ų | 90.6 | 43.9 Ų | 43.9 | 47% | 0.465 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 113.1 | 175.6 | -58.3 | 173.5 | 0 | 0 | 0 | 108.3 | L1574 N1575 A1624 | L1574-I1608 CarbonylContact C-O 3.56Å; L1574-I1608 WeakPolarHBondContact CA-O 3.38Å; N1575-I1608 PolarHBondContact N-O 2.75Å; N1575-I1608 PolarHBondContact OD1-N 3.05Å; I1608-A1624 CarbonylContact C-O 3.55Å; I1608-A1624 WeakPolarHBondContact CA-O 3.37Å |
| 1609 | Y | 92.9 | Very high | 88.3 | Confident | 0.2 Ų | 0.2 | 49.5 Ų | 49.5 | 0% | 0.001 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 130.9 | 172.6 | -72.8 | -97 | 0 | 0 | 0 | 109.5 | L1556 L1573 L1574 L1579 L1596 I1598 D1605 S1623 A1624 L1626 | L1556-Y1609 HydrophobicContact CD1-CD1 4.03Å; L1556-Y1609 HydrophobicContact CD1-CD2 3.8Å; L1556-Y1609 HydrophobicContact CD1-CE1 4.48Å; L1556-Y1609 HydrophobicContact CD1-CE2 4.34Å; L1556-Y1609 HydrophobicContact CD1-CG 3.53Å; L1556-Y1609 VanDerWaalsContact CD1-CG 3.49Å; L1573-Y1609 CarbonylContact O-C 3.45Å; L1573-Y1609 VanDerWaalsContact O-CA 3.32Å; L1573-Y1609 WeakPolarHBondContact O-CA 3.33Å; L1574-Y1609 HydrophobicContact CB-CE1 4.31Å; L1574-Y1609 HydrophobicContact CD1-CD1 4.46Å; L1574-Y1609 HydrophobicContact CD1-CD2 4Å; L1574-Y1609 HydrophobicContact CD1-CE1 4.18Å; L1574-Y1609 HydrophobicContact CD1-CE2 3.6Å; L1574-Y1609 HydrophobicContact CD1-CG 4.41Å; L1574-Y1609 HydrophobicContact CD2-CE1 4.4Å; L1574-Y1609 HydrophobicContact CG-CE1 4.48Å; L1579-Y1609 HydrophobicContact CD1-CD1 4.44Å; L1579-Y1609 HydrophobicContact CD1-CE1 3.82Å; L1579-Y1609 HydrophobicContact CD2-CD1 4.38Å; L1579-Y1609 HydrophobicContact CD2-CE1 4.06Å; L1596-Y1609 HydrophobicContact CD2-CD1 3.37Å; L1596-Y1609 HydrophobicContact CD2-CE1 3.65Å; L1596-Y1609 HydrophobicContact CD2-CG 4.37Å; I1598-Y1609 HydrophobicContact CD1-CD1 4.31Å; I1598-Y1609 HydrophobicContact CD1-CE1 3.65Å; I1598-Y1609 VanDerWaalsContact CD1-CE1 3.44Å; I1598-Y1609 HydrophobicContact CD1-CE2 4.4Å; I1598-Y1609 VanDerWaalsContact CD1-CZ 3.42Å; I1598-Y1609 VanDerWaalsContact CD1-OH 3.25Å; I1598-Y1609 WeakPolarHBondContact CD1-OH 3.37Å; D1605-Y1609 VanDerWaalsContact O-CE2 3.27Å; D1605-Y1609 WeakPolarHBondContact O-CE2 3.35Å; D1605-Y1609 PolarHBondContact O-OH 3.03Å; Y1609-S1623 CarbonylContact O-C 3.48Å; Y1609-S1623 VanDerWaalsContact O-CA 3.22Å; Y1609-S1623 WeakPolarHBondContact O-CA 3.33Å; Y1609-S1623 WeakPolarHBondContact O-CB 3.42Å; Y1609-A1624 PolarHBondContact N-O 3.01Å; Y1609-A1624 PolarHBondContact O-N 3.17Å; Y1609-L1626 HydrophobicContact CD2-CB 3.9Å; Y1609-L1626 HydrophobicContact CD2-CD2 4.38Å; Y1609-L1626 HydrophobicContact CE2-CB 3.76Å; Y1609-L1626 HydrophobicContact CE2-CD2 3.64Å; Y1609-L1626 HydrophobicContact CE2-CG 4.32Å |
| 1610 | T | 93.1 | Very high | 88.4 | Confident | 11.2 Ų | 11.2 | 47.7 Ų | 47.7 | 7% | 0.069 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 118.6 | 177.5 | -60.4 | 0 | 0 | 0 | 0 | 109.2 | W1572 L1573 S1622 S1623 | W1572-T1610 WeakPolarHBondContact CA-O 3.02Å; L1573-T1610 HydrophobicContact CD1-CG2 4.26Å; L1573-T1610 PolarHBondContact N-O 3.16Å; L1573-T1610 PolarHBondContact O-N 2.57Å; T1610-S1622 CarbonylContact C-O 3.49Å; T1610-S1622 VanDerWaalsContact CA-O 3.27Å; T1610-S1622 WeakPolarHBondContact CA-O 3.38Å; T1610-S1623 WeakPolarHBondContact CB-OG 3.38Å; T1610-S1623 VanDerWaalsContact CG2-OG 3.32Å; T1610-S1623 WeakPolarHBondContact CG2-OG 3.36Å; T1610-S1623 WeakPolarHBondContact OG1-CB 3.26Å; T1610-S1623 PolarHBondContact OG1-OG 2.9Å |
| 1611 | C | 92.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 117.7 | 165.7 | 175.6 | 0 | 0 | 0 | 0 | 108.1 | F1538 L1542 W1572 S1621 S1622 | F1538-C1611 HydrophobicContact CE1-CB 4.41Å; F1538-C1611 HydrophobicContact CZ-CB 4.41Å; F1538-C1611 WeakPolarHBondContact CZ-O 3.36Å; L1542-C1611 HydrophobicContact CD1-CB 3.79Å; L1542-C1611 HydrophobicContact CD2-CB 4.44Å; L1542-C1611 HydrophobicContact CG-CB 4.33Å; W1572-C1611 HydrophobicContact CD2-CB 4.25Å; W1572-C1611 HydrophobicContact CE3-CB 4.04Å; W1572-C1611 HydrophobicContact CH2-CB 3.95Å; W1572-C1611 HydrophobicContact CZ2-CB 4.09Å; W1572-C1611 HydrophobicContact CZ3-CB 3.9Å; C1611-S1621 CarbonylContact O-C 3.51Å; C1611-S1621 VanDerWaalsContact O-CA 3.26Å; C1611-S1621 WeakPolarHBondContact O-CA 3.3Å; C1611-S1622 PolarHBondContact N-O 3.04Å; C1611-S1622 PolarHBondContact O-N 3.13Å |
| 1612 | K | 92.1 | Very high | 88.9 | Confident | 51 Ų | 51 | 49.3 Ų | 49.3 | 22% | 0.222 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.2 | 175.2 | -174.9 | 177.8 | -178.9 | 179.5 | 0 | 109.1 | E1571 L1573 E1619 A1620 | E1571-K1612 HydrophobicContact CB-CB 4.37Å; E1571-K1612 PolarHBondContact N-O 2.94Å; E1571-K1612 PolarHBondContact O-N 2.93Å; L1573-K1612 HydrophobicContact CD1-CB 4.01Å; K1612-E1619 VanDerWaalsContact CE-OE1 3.25Å; K1612-E1619 WeakPolarHBondContact CE-OE1 3.33Å; K1612-E1619 WeakPolarHBondContact CE-OE2 3.33Å; K1612-E1619 VanDerWaalsContact NZ-CD 3.26Å; K1612-E1619 IonicContact NZ-OE1 3.23Å; K1612-E1619 PolarHBondContact NZ-OE1 2.89Å; K1612-E1619 VanDerWaalsContact NZ-OE1 3.14Å; K1612-E1619 IonicContact NZ-OE2 3.19Å; K1612-E1619 PolarHBondContact NZ-OE2 3.15Å; K1612-A1620 WeakPolarHBondContact CA-O 3.28Å |
| 1613 | I | 91.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 138.5 | -179.7 | 62.7 | -177.3 | 0 | 0 | 0 | 110.1 | P1536 F1538 V1560 L1568 I1569 V1570 E1619 A1620 | P1536-I1613 HydrophobicContact CB-CB 4.47Å; P1536-I1613 HydrophobicContact CB-CD1 3.78Å; P1536-I1613 HydrophobicContact CB-CG1 3.9Å; P1536-I1613 HydrophobicContact CG-CD1 4.36Å; P1536-I1613 HydrophobicContact CG-CG1 3.95Å; F1538-I1613 HydrophobicContact CD1-CD1 4.42Å; F1538-I1613 HydrophobicContact CD2-CD1 4.02Å; F1538-I1613 HydrophobicContact CE1-CD1 4.03Å; F1538-I1613 HydrophobicContact CE1-CG2 4.47Å; F1538-I1613 HydrophobicContact CE2-CD1 3.56Å; F1538-I1613 VanDerWaalsContact CE2-CD1 3.47Å; F1538-I1613 HydrophobicContact CE2-CG1 3.82Å; F1538-I1613 HydrophobicContact CG-CD1 4.42Å; F1538-I1613 HydrophobicContact CZ-CD1 3.58Å; F1538-I1613 HydrophobicContact CZ-CG1 3.83Å; F1538-I1613 HydrophobicContact CZ-CG2 4.08Å; V1560-I1613 HydrophobicContact CB-CD1 3.85Å; V1560-I1613 HydrophobicContact CG1-CD1 3.44Å; V1560-I1613 VanDerWaalsContact CG1-CD1 3.44Å; V1560-I1613 HydrophobicContact CG1-CG2 4.28Å; L1568-I1613 HydrophobicContact CD1-CB 4.32Å; L1568-I1613 HydrophobicContact CD2-CB 4.14Å; L1568-I1613 HydrophobicContact CD2-CG2 4.31Å; I1569-I1613 CarbonylContact O-C 3.57Å; I1569-I1613 WeakPolarHBondContact O-CA 3.31Å; V1570-I1613 HydrophobicContact CG1-CG2 4.41Å; V1570-I1613 HydrophobicContact CG2-CG2 4.09Å; I1613-E1619 CarbonylContact O-C 3.55Å; I1613-E1619 VanDerWaalsContact O-CA 3.24Å; I1613-E1619 WeakPolarHBondContact O-CA 3.3Å; I1613-E1619 WeakPolarHBondContact O-CB 3.38Å; I1613-A1620 HydrophobicContact CD1-CB 4.27Å; I1613-A1620 HydrophobicContact CG1-CB 3.93Å; I1613-A1620 PolarHBondContact N-O 2.99Å; I1613-A1620 PolarHBondContact O-N 2.98Å; I1613-A1620 VanDerWaalsContact O-O 3.09Å |
| 1614 | R | 90.4 | Very high | 89.4 | Confident | 112 Ų | 112 | 46.4 Ų | 46.4 | 42% | 0.423 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 145.3 | 179 | 66.4 | -176.5 | -179.6 | 93.2 | -2.5 | 112.5 | L1568 I1569 G1618 E1619 | L1568-R1614 WeakPolarHBondContact CA-O 3.37Å; I1569-R1614 HydrophobicContact CB-CG 3.9Å; I1569-R1614 HydrophobicContact CG2-CG 4.34Å; I1569-R1614 PolarHBondContact N-O 3.06Å; I1569-R1614 PolarHBondContact O-N 3.06Å; R1614-G1618 CarbonylContact C-O 3.53Å; R1614-G1618 VanDerWaalsContact CA-O 3.28Å; R1614-G1618 WeakPolarHBondContact CA-O 3.37Å; R1614-E1619 HydrophobicContact CB-CB 3.87Å |
| 1615 | N | 86 | Confident | 89.6 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 10% | 0.102 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | -167 | 168.1 | 73.6 | 0.8 | 0 | 0 | 0 | 110.6 | E1534 P1536 D1565 N1567 L1568 S1617 G1618 | E1534-N1615 PolarHBondContact O-ND2 3.14Å; P1536-N1615 VanDerWaalsContact CD-OD1 3.31Å; P1536-N1615 WeakPolarHBondContact CD-OD1 3.21Å; D1565-N1615 WeakPolarHBondContact OD2-CB 3.4Å; D1565-N1615 VanDerWaalsContact OD2-CG 3.31Å; D1565-N1615 PolarHBondContact OD2-ND2 3.06Å; N1567-N1615 HydrophobicContact CB-CB 4.5Å; L1568-N1615 HydrophobicContact CD1-CB 4.4Å; N1615-S1617 PolarHBondContact O-N 2.97Å; N1615-S1617 VanDerWaalsContact O-N 3.12Å; N1615-S1617 WeakPolarHBondContact OD1-CA 3.37Å; N1615-S1617 WeakPolarHBondContact OD1-CB 3.33Å; N1615-S1617 PolarHBondContact OD1-N 2.86Å; N1615-G1618 PolarHBondContact N-O 3.04Å; N1615-G1618 PolarHBondContact O-N 3.45Å; N1615-G1618 PolarHBondContact OD1-N 2.88Å; N1615-G1618 VanDerWaalsContact OD1-N 3.1Å |
| 1616 | K | 80.5 | Confident | 89.6 | Confident | 132.8 Ų | 132.8 | 44.6 Ų | 44.6 | 58% | 0.577 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.4 | 177 | -71.6 | -179.7 | 174.7 | 173.7 | 0 | 113.7 | E1530 N1567 | E1530-K1616 IonicContact OE1-NZ 2.75Å; E1530-K1616 PolarHBondContact OE1-NZ 3.14Å; E1530-K1616 IonicContact OE2-NZ 2.74Å; E1530-K1616 PolarHBondContact OE2-NZ 3.03Å; N1567-K1616 HydrophobicContact CB-CG 4.27Å; N1567-K1616 VanDerWaalsContact OD1-CE 3.27Å; N1567-K1616 WeakPolarHBondContact OD1-CE 3.25Å |
| 1617 | S | 82 | Confident | 89.5 | Confident | 67.4 Ų | 67.4 | 46.6 Ų | 46.6 | 47% | 0.471 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -10.9 | -171.2 | -65.5 | 0 | 0 | 0 | 0 | 114.7 | Y1533 N1615 | Y1533-S1617 VanDerWaalsContact O-CB 3.26Å; Y1533-S1617 WeakPolarHBondContact O-CB 3.41Å; Y1533-S1617 PolarHBondContact O-OG 3Å; N1615-S1617 PolarHBondContact O-N 2.97Å; N1615-S1617 VanDerWaalsContact O-N 3.12Å; N1615-S1617 WeakPolarHBondContact OD1-CA 3.37Å; N1615-S1617 WeakPolarHBondContact OD1-CB 3.33Å; N1615-S1617 PolarHBondContact OD1-N 2.86Å |
| 1618 | G | 85.1 | Confident | 89.4 | Confident | 27.6 Ų | 27.6 | 46.4 Ų | 46.4 | 29% | 0.285 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.7 | -170.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | P1536 R1614 N1615 | P1536-G1618 VanDerWaalsContact CD-O 3.32Å; P1536-G1618 WeakPolarHBondContact CD-O 3.26Å; R1614-G1618 CarbonylContact C-O 3.53Å; R1614-G1618 VanDerWaalsContact CA-O 3.28Å; R1614-G1618 WeakPolarHBondContact CA-O 3.37Å; N1615-G1618 PolarHBondContact N-O 3.04Å; N1615-G1618 PolarHBondContact O-N 3.45Å; N1615-G1618 PolarHBondContact OD1-N 2.88Å; N1615-G1618 VanDerWaalsContact OD1-N 3.1Å |
| 1619 | E | 90.6 | Very high | 88.8 | Confident | 117.4 Ų | 117.4 | 45.9 Ų | 45.9 | 55% | 0.549 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 154.4 | 175.5 | 61.9 | 175.2 | -131.9 | 0 | 0 | 111.9 | K1612 I1613 R1614 | K1612-E1619 VanDerWaalsContact CE-OE1 3.25Å; K1612-E1619 WeakPolarHBondContact CE-OE1 3.33Å; K1612-E1619 WeakPolarHBondContact CE-OE2 3.33Å; K1612-E1619 VanDerWaalsContact NZ-CD 3.26Å; K1612-E1619 IonicContact NZ-OE1 3.23Å; K1612-E1619 PolarHBondContact NZ-OE1 2.89Å; K1612-E1619 VanDerWaalsContact NZ-OE1 3.14Å; K1612-E1619 IonicContact NZ-OE2 3.19Å; K1612-E1619 PolarHBondContact NZ-OE2 3.15Å; I1613-E1619 CarbonylContact O-C 3.55Å; I1613-E1619 VanDerWaalsContact O-CA 3.24Å; I1613-E1619 WeakPolarHBondContact O-CA 3.3Å; I1613-E1619 WeakPolarHBondContact O-CB 3.38Å; R1614-E1619 HydrophobicContact CB-CB 3.87Å |
| 1620 | A | 90.4 | Very high | 87.6 | Confident | 24.4 Ų | 24.4 | 47 Ų | 47 | 20% | 0.202 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 159.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | P1536 F1538 K1612 I1613 | P1536-A1620 WeakPolarHBondContact O-CB 3.33Å; F1538-A1620 HydrophobicContact CD2-CB 4.14Å; F1538-A1620 HydrophobicContact CE2-CB 3.87Å; K1612-A1620 WeakPolarHBondContact CA-O 3.28Å; I1613-A1620 HydrophobicContact CD1-CB 4.27Å; I1613-A1620 HydrophobicContact CG1-CB 3.93Å; I1613-A1620 PolarHBondContact N-O 2.99Å; I1613-A1620 PolarHBondContact O-N 2.98Å; I1613-A1620 VanDerWaalsContact O-O 3.09Å |
| 1621 | S | 92.1 | Very high | 85.8 | Confident | 76.8 Ų | 76.8 | 50.2 Ų | 50.2 | 54% | 0.537 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 148.2 | 172.6 | 52.9 | 0 | 0 | 0 | 0 | 111.7 | F1538 C1611 | F1538-S1621 VanDerWaalsContact CE2-C 3.43Å; C1611-S1621 CarbonylContact O-C 3.51Å; C1611-S1621 VanDerWaalsContact O-CA 3.26Å; C1611-S1621 WeakPolarHBondContact O-CA 3.3Å |
| 1622 | S | 92.3 | Very high | 83.9 | Confident | 8.2 Ų | 8.2 | 59.7 Ų | 59.7 | 6% | 0.057 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 144.7 | 171 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | L1541 L1542 T1610 C1611 | L1541-S1622 WeakPolarHBondContact CD2-OG 3.29Å; L1542-S1622 WeakPolarHBondContact CD1-O 3.36Å; L1542-S1622 PolarHBondContact N-OG 3.2Å; T1610-S1622 CarbonylContact C-O 3.49Å; T1610-S1622 VanDerWaalsContact CA-O 3.27Å; T1610-S1622 WeakPolarHBondContact CA-O 3.38Å; C1611-S1622 PolarHBondContact N-O 3.04Å; C1611-S1622 PolarHBondContact O-N 3.13Å |
| 1623 | S | 92 | Very high | 81.6 | Confident | 63.8 Ų | 63.8 | 62 Ų | 62 | 45% | 0.446 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 143.3 | -176.3 | -57.2 | 0 | 0 | 0 | 0 | 112 | Y1609 T1610 | Y1609-S1623 CarbonylContact O-C 3.48Å; Y1609-S1623 VanDerWaalsContact O-CA 3.22Å; Y1609-S1623 WeakPolarHBondContact O-CA 3.33Å; Y1609-S1623 WeakPolarHBondContact O-CB 3.42Å; T1610-S1623 WeakPolarHBondContact CB-OG 3.38Å; T1610-S1623 VanDerWaalsContact CG2-OG 3.32Å; T1610-S1623 WeakPolarHBondContact CG2-OG 3.36Å; T1610-S1623 WeakPolarHBondContact OG1-CB 3.26Å; T1610-S1623 PolarHBondContact OG1-OG 2.9Å |
| 1624 | A | 90.1 | Very high | 79.3 | Confident | 7.2 Ų | 7.2 | 68.2 Ų | 68.2 | 6% | 0.06 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 148.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1542 H1543 L1556 I1608 Y1609 | L1542-A1624 HydrophobicContact CB-CB 3.6Å; L1542-A1624 HydrophobicContact CD1-CB 4.38Å; H1543-A1624 WeakPolarHBondContact O-CB 3.25Å; L1556-A1624 HydrophobicContact CD2-CB 4.09Å; I1608-A1624 CarbonylContact C-O 3.55Å; I1608-A1624 WeakPolarHBondContact CA-O 3.37Å; Y1609-A1624 PolarHBondContact N-O 3.01Å; Y1609-A1624 PolarHBondContact O-N 3.17Å |
| 1625 | S | 88.9 | Confident | 77.1 | Confident | 56 Ų | 56 | 69.7 Ų | 69.7 | 39% | 0.392 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 139.5 | 174.6 | 44 | 0 | 0 | 0 | 0 | 111.6 | G1544 V1545 G1607 | G1544-S1625 CarbonylContact C-O 3.52Å; G1544-S1625 WeakPolarHBondContact CA-O 3.4Å; V1545-S1625 PolarHBondContact N-O 3.11Å; V1545-S1625 VanDerWaalsContact N-O 3.09Å; G1607-S1625 WeakPolarHBondContact O-CA 3.42Å |
| 1626 | L | 89.2 | Confident | 75.3 | Confident | 2.8 Ų | 2.8 | 76.4 Ų | 76.4 | 2% | 0.015 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.1 | 169 | 178.7 | 63.6 | 0 | 0 | 0 | 108.7 | V1545 V1548 A1554 I1598 L1601 D1605 T1606 G1607 Y1609 V1628 | V1545-L1626 HydrophobicContact CB-CD1 4.04Å; V1545-L1626 WeakPolarHBondContact O-CA 3.36Å; V1545-L1626 WeakPolarHBondContact O-CD1 3.31Å; V1548-L1626 HydrophobicContact CG2-CD1 4.09Å; A1554-L1626 HydrophobicContact CB-CD1 3.84Å; A1554-L1626 HydrophobicContact CB-CD2 4.35Å; I1598-L1626 HydrophobicContact CD1-CD2 4.12Å; L1601-L1626 HydrophobicContact CD2-CD2 3.8Å; D1605-L1626 HydrophobicContact CB-CD2 4.37Å; T1606-L1626 WeakPolarHBondContact CA-O 3.39Å; G1607-L1626 PolarHBondContact N-O 3.2Å; G1607-L1626 PolarHBondContact O-N 3.09Å; Y1609-L1626 HydrophobicContact CD2-CB 3.9Å; Y1609-L1626 HydrophobicContact CD2-CD2 4.38Å; Y1609-L1626 HydrophobicContact CE2-CB 3.76Å; Y1609-L1626 HydrophobicContact CE2-CD2 3.64Å; Y1609-L1626 HydrophobicContact CE2-CG 4.32Å; L1626-V1628 HydrophobicContact CD2-CG2 4.48Å; L1626-V1628 HydrophobicContact CG-CG2 4.3Å |
| 1627 | K | 86.5 | Confident | 73.7 | Confident | 97.6 Ų | 97.6 | 77.7 Ų | 77.7 | 42% | 0.424 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 112.7 | 179 | -180 | -176 | 169.3 | -165.4 | 0 | 109.7 | V1545 E1547 V1548 T1606 | V1545-K1627 PolarHBondContact O-N 2.66Å; V1545-K1627 VanDerWaalsContact O-N 3.12Å; E1547-K1627 WeakPolarHBondContact CA-O 3.33Å; E1547-K1627 HydrophobicContact CG-CD 4.08Å; E1547-K1627 PolarHBondContact N-O 2.84Å; E1547-K1627 VanDerWaalsContact N-O 3.15Å; E1547-K1627 IonicContact OE1-NZ 3.83Å; E1547-K1627 PolarHBondContact OE1-NZ 2.96Å; E1547-K1627 IonicContact OE2-NZ 2.62Å; E1547-K1627 PolarHBondContact OE2-NZ 3.03Å; V1548-K1627 PolarHBondContact N-O 3.04Å; V1548-K1627 VanDerWaalsContact N-O 3.11Å; T1606-K1627 HydrophobicContact CG2-CG 4.36Å |
| 1628 | V | 86.6 | Confident | 72.1 | Confident | 9 Ų | 9 | 78.5 Ų | 78.5 | 6% | 0.055 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 127.2 | -179.6 | -174.1 | 0 | 0 | 0 | 0 | 110 | V1548 E1550 L1601 D1605 T1606 L1626 G1630 | V1548-V1628 CarbonylContact O-C 3.56Å; V1548-V1628 VanDerWaalsContact O-CA 3.28Å; V1548-V1628 WeakPolarHBondContact O-CA 3.38Å; E1550-V1628 HydrophobicContact CB-CG1 4.2Å; L1601-V1628 HydrophobicContact CB-CG1 4.28Å; L1601-V1628 HydrophobicContact CB-CG2 4.25Å; L1601-V1628 HydrophobicContact CD1-CG2 4.42Å; L1601-V1628 HydrophobicContact CD2-CG2 4.14Å; L1601-V1628 HydrophobicContact CG-CG2 4.45Å; D1605-V1628 HydrophobicContact CB-CG2 4.49Å; T1606-V1628 PolarHBondContact OG1-N 3.15Å; T1606-V1628 PolarHBondContact OG1-O 2.97Å; L1626-V1628 HydrophobicContact CD2-CG2 4.48Å; L1626-V1628 HydrophobicContact CG-CG2 4.3Å; V1628-G1630 PolarHBondContact O-N 2.66Å |
| 1629 | I | 79.5 | Confident | 70.6 | Confident | 79 Ų | 79 | 85.6 Ų | 85.6 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 109.7 | 178.2 | -60.3 | 176.6 | 0 | 0 | 0 | 109 | E1547 V1548 E1550 | E1547-I1629 HydrophobicContact CB-CD1 3.75Å; E1547-I1629 HydrophobicContact CB-CG1 4.38Å; E1547-I1629 HydrophobicContact CG-CD1 4.07Å; E1547-I1629 HydrophobicContact CG-CG1 4.41Å; V1548-I1629 PolarHBondContact O-N 3.16Å; E1550-I1629 WeakPolarHBondContact CB-O 3.32Å; E1550-I1629 PolarHBondContact N-O 2.89Å |
| 1630 | G | 66.9 | Low | 68.6 | Low | 24.2 Ų | 24.2 | 85.6 Ų | 85.6 | 25% | 0.249 | 48% | 0.475 | C | S | . | . | trans | -76.2 | 148.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1550 V1603 V1628 E1632 S1633 | E1550-G1630 WeakPolarHBondContact OE2-CA 3.49Å; V1603-G1630 VanDerWaalsContact CG2-CA 3.42Å; V1628-G1630 PolarHBondContact O-N 2.66Å; G1630-E1632 PolarHBondContact O-N 3.36Å; G1630-E1632 VanDerWaalsContact O-N 3.14Å; G1630-S1633 PolarHBondContact O-N 2.82Å; G1630-S1633 PolarHBondContact O-OG 2.87Å | ||
| 1631 | S | 56.7 | Low | 67.2 | Low | 77 Ų | 77 | 88.8 Ų | 88.8 | 54% | 0.538 | 49% | 0.494 | S | S | . | . | trans | -75.1 | 91.7 | 179.2 | -80.6 | 0 | 0 | 0 | 0 | 112 | E1550 S1633 L1634 | E1550-S1631 VanDerWaalsContact OE2-CB 3.27Å; E1550-S1631 WeakPolarHBondContact OE2-CB 3.32Å; E1550-S1631 PolarHBondContact OE2-N 3.17Å; E1550-S1631 PolarHBondContact OE2-OG 2.83Å; S1631-S1633 PolarHBondContact O-N 2.9Å; S1631-S1633 PolarHBondContact OG-OG 2.98Å; S1631-S1633 VanDerWaalsContact OG-OG 3.04Å; S1631-L1634 PolarHBondContact O-N 3.11Å | ||
| 1632 | E | 52 | Low | 65.7 | Low | 200 Ų | 200 | 88.6 Ų | 88.6 | 94% | 0.935 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 14.8 | 179.1 | -66 | -165.7 | 155.2 | 0 | 0 | 114.4 | G1630 L1634 | G1630-E1632 PolarHBondContact O-N 3.36Å; G1630-E1632 VanDerWaalsContact O-N 3.14Å; E1632-L1634 PolarHBondContact O-N 2.89Å |
| 1633 | S | 44.8 | Very low | 63.9 | Low | 98.8 Ų | 98.8 | 90.5 Ų | 90.5 | 69% | 0.691 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 1 | 171.6 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | G1630 S1631 L1635 | G1630-S1633 PolarHBondContact O-N 2.82Å; G1630-S1633 PolarHBondContact O-OG 2.87Å; S1631-S1633 PolarHBondContact O-N 2.9Å; S1631-S1633 PolarHBondContact OG-OG 2.98Å; S1631-S1633 VanDerWaalsContact OG-OG 3.04Å; S1633-L1635 PolarHBondContact O-N 3.48Å |
| 1634 | L | 41.9 | Very low | 62.4 | Low | 131.6 Ų | 131.6 | 94.2 Ų | 94.2 | 69% | 0.689 | 51% | 0.51 | S | S | * | . | trans | -113.3 | 114.4 | 174.7 | -77.2 | 166.1 | 0 | 0 | 0 | 111.5 | S1631 E1632 L1636 | S1631-L1634 PolarHBondContact O-N 3.11Å; E1632-L1634 PolarHBondContact O-N 2.89Å; L1634-L1636 VanDerWaalsContact C-N 3.31Å; L1634-L1636 HydrophobicContact CB-CG 4.35Å; L1634-L1636 PolarHBondContact O-N 3.04Å; L1634-L1636 VanDerWaalsContact O-N 3.12Å | ||
| 1635 | L | 44.4 | Very low | 61.4 | Low | 143 Ų | 143 | 100.5 Ų | 100.5 | 75% | 0.749 | 54% | 0.539 | S | S | * | . | trans | -79.6 | 80 | -175.8 | -146 | 141 | 0 | 0 | 0 | 111.3 | S1633 Q1637 S1643 | S1633-L1635 PolarHBondContact O-N 3.48Å; L1635-Q1637 VanDerWaalsContact C-N 3.29Å; L1635-Q1637 PolarHBondContact O-N 3.08Å; L1635-S1643 VanDerWaalsContact CD2-OG 3.29Å; L1635-S1643 WeakPolarHBondContact CD2-OG 3.38Å | ||
| 1636 | L | 48.7 | Very low | 60.2 | Low | 159.2 Ų | 159.2 | 104.7 Ų | 104.7 | 83% | 0.834 | 55% | 0.55 | S | S | * | . | trans | -72.8 | 9.2 | -173.6 | -71.8 | 161 | 0 | 0 | 0 | 115.8 | L1634 S1638 | L1634-L1636 VanDerWaalsContact C-N 3.31Å; L1634-L1636 HydrophobicContact CB-CG 4.35Å; L1634-L1636 PolarHBondContact O-N 3.04Å; L1634-L1636 VanDerWaalsContact O-N 3.12Å; L1636-S1638 PolarHBondContact O-N 2.98Å; L1636-S1638 VanDerWaalsContact O-N 3.09Å | ||
| 1637 | Q | 46.4 | Very low | 59 | Low | 160.6 Ų | 160.6 | 108.3 Ų | 108.3 | 75% | 0.75 | 57% | 0.568 | S | S | * | * | trans | -87.7 | 109.2 | 176.2 | -72.5 | -172.5 | 0.5 | 0 | 0 | 111.5 | L1635 Q1639 | L1635-Q1637 VanDerWaalsContact C-N 3.29Å; L1635-Q1637 PolarHBondContact O-N 3.08Å; Q1637-Q1639 VanDerWaalsContact C-N 3.29Å; Q1637-Q1639 PolarHBondContact O-N 2.91Å | ||
| 1638 | S | 48.1 | Very low | 58 | Low | 84.2 Ų | 84.2 | 108.2 Ų | 108.2 | 59% | 0.589 | 57% | 0.569 | S | S | * | * | trans | -62.4 | 108.6 | 175.3 | 167.2 | 0 | 0 | 0 | 0 | 112.1 | L1636 H1640 P1641 | L1636-S1638 PolarHBondContact O-N 2.98Å; L1636-S1638 VanDerWaalsContact O-N 3.09Å; S1638-H1640 VanDerWaalsContact C-N 3.3Å; S1638-H1640 PolarHBondContact O-N 3.09Å; S1638-H1640 VanDerWaalsContact O-N 3.09Å; S1638-H1640 PolarHBondContact OG-N 3.12Å; S1638-P1641 WeakPolarHBondContact O-CD 3.44Å | ||
| 1639 | Q | 53.5 | Low | 57.1 | Low | 177.2 Ų | 177.2 | 110.7 Ų | 110.7 | 83% | 0.828 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -80.7 | 6.6 | -179.6 | -62.9 | -147.3 | 7.3 | 0 | 0 | 114.2 | Q1637 P1641 | Q1637-Q1639 VanDerWaalsContact C-N 3.29Å; Q1637-Q1639 PolarHBondContact O-N 2.91Å; Q1639-P1641 WeakPolarHBondContact O-CD 3.23Å |
| 1640 | H | 50 | Low | 56.1 | Low | 116.8 Ų | 116.8 | 112.4 Ų | 112.4 | 54% | 0.541 | 60% | 0.596 | S | S | . | * | trans | -110.4 | 99.7 | -179.4 | -117.6 | -88.7 | 0 | 0 | 0 | 112.6 | S1638 S1642 S1643 W1644 | S1638-H1640 VanDerWaalsContact C-N 3.3Å; S1638-H1640 PolarHBondContact O-N 3.09Å; S1638-H1640 VanDerWaalsContact O-N 3.09Å; S1638-H1640 PolarHBondContact OG-N 3.12Å; H1640-S1642 VanDerWaalsContact C-N 3.28Å; H1640-S1642 PolarHBondContact CE1-OG 3.08Å; H1640-S1642 PolarHBondContact ND1-OG 3.24Å; H1640-S1642 PolarHBondContact O-N 3.1Å; H1640-S1642 VanDerWaalsContact O-N 3.13Å; H1640-S1643 WeakPolarHBondContact O-CA 3.12Å; H1640-S1643 VanDerWaalsContact O-CB 3.28Å; H1640-S1643 WeakPolarHBondContact O-CB 3.27Å; H1640-S1643 PolarHBondContact O-N 2.99Å; H1640-S1643 VanDerWaalsContact O-N 3.09Å; H1640-W1644 PolarHBondContact O-N 3.12Å | ||
| 1641 | P | 59.7 | Low | 55.6 | Low | 92.6 Ų | 92.6 | 117.7 Ų | 117.7 | 60% | 0.601 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -59.5 | -28.9 | -175.4 | -18 | 23.6 | 0 | 0 | 0 | 114.9 | S1638 Q1639 S1643 W1644 Q1645 | S1638-P1641 WeakPolarHBondContact O-CD 3.44Å; Q1639-P1641 WeakPolarHBondContact O-CD 3.23Å; P1641-S1643 VanDerWaalsContact C-N 3.3Å; P1641-S1643 PolarHBondContact O-N 2.85Å; P1641-W1644 PolarHBondContact O-N 2.99Å; P1641-Q1645 WeakPolarHBondContact O-CB 3.26Å; P1641-Q1645 WeakPolarHBondContact O-CG 3.47Å; P1641-Q1645 PolarHBondContact O-N 2.9Å |
| 1642 | S | 62.2 | Low | 55.5 | Low | 72.4 Ų | 72.4 | 118.1 Ų | 118.1 | 51% | 0.506 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.3 | -29.9 | 176.9 | 58.3 | 0 | 0 | 0 | 0 | 113.2 | H1640 K1646 | H1640-S1642 VanDerWaalsContact C-N 3.28Å; H1640-S1642 PolarHBondContact CE1-OG 3.08Å; H1640-S1642 PolarHBondContact ND1-OG 3.24Å; H1640-S1642 PolarHBondContact O-N 3.1Å; H1640-S1642 VanDerWaalsContact O-N 3.13Å; S1642-K1646 WeakPolarHBondContact O-CB 3.26Å; S1642-K1646 PolarHBondContact O-N 2.84Å; S1642-K1646 VanDerWaalsContact O-N 3.15Å |
| 1643 | S | 54.4 | Low | 55.1 | Low | 47.4 Ų | 47.4 | 116.3 Ų | 116.3 | 33% | 0.331 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71.5 | -40.5 | 177.2 | -54.7 | 0 | 0 | 0 | 0 | 110.5 | L1635 H1640 P1641 Q1645 K1646 I1647 | L1635-S1643 VanDerWaalsContact CD2-OG 3.29Å; L1635-S1643 WeakPolarHBondContact CD2-OG 3.38Å; H1640-S1643 WeakPolarHBondContact O-CA 3.12Å; H1640-S1643 VanDerWaalsContact O-CB 3.28Å; H1640-S1643 WeakPolarHBondContact O-CB 3.27Å; H1640-S1643 PolarHBondContact O-N 2.99Å; H1640-S1643 VanDerWaalsContact O-N 3.09Å; P1641-S1643 VanDerWaalsContact C-N 3.3Å; P1641-S1643 PolarHBondContact O-N 2.85Å; S1643-Q1645 PolarHBondContact O-N 3.15Å; S1643-K1646 WeakPolarHBondContact O-CB 3.46Å; S1643-K1646 PolarHBondContact O-N 3.1Å; S1643-K1646 VanDerWaalsContact O-N 3.11Å; S1643-I1647 WeakPolarHBondContact O-CG1 3.34Å; S1643-I1647 PolarHBondContact O-N 3.12Å; S1643-I1647 VanDerWaalsContact O-N 3.11Å |
| 1644 | W | 59.6 | Low | 55.1 | Low | 142 Ų | 142 | 117 Ų | 117 | 54% | 0.538 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.2 | -44.4 | 176.6 | -165.9 | -177.5 | 0 | 0 | 0 | 112.3 | H1640 P1641 K1646 I1647 Q1648 E1651 | H1640-W1644 PolarHBondContact O-N 3.12Å; P1641-W1644 PolarHBondContact O-N 2.99Å; W1644-K1646 VanDerWaalsContact C-N 3.28Å; W1644-K1646 PolarHBondContact O-N 2.95Å; W1644-K1646 VanDerWaalsContact O-N 3.08Å; W1644-I1647 HydrophobicContact CE3-CB 4.15Å; W1644-I1647 HydrophobicContact CE3-CG2 4.16Å; W1644-I1647 HydrophobicContact CZ3-CG2 4.08Å; W1644-I1647 PolarHBondContact O-N 3.35Å; W1644-I1647 VanDerWaalsContact O-N 3.1Å; W1644-Q1648 HydrophobicContact CD2-CB 4.41Å; W1644-Q1648 HydrophobicContact CD2-CG 4.44Å; W1644-Q1648 HydrophobicContact CE3-CB 3.78Å; W1644-Q1648 HydrophobicContact CE3-CG 4.17Å; W1644-Q1648 HydrophobicContact CH2-CB 4.18Å; W1644-Q1648 VanDerWaalsContact CH2-CD 3.49Å; W1644-Q1648 HydrophobicContact CH2-CG 4.16Å; W1644-Q1648 HydrophobicContact CZ2-CG 4.4Å; W1644-Q1648 HydrophobicContact CZ3-CB 3.63Å; W1644-Q1648 HydrophobicContact CZ3-CG 3.91Å; W1644-Q1648 VanDerWaalsContact O-CB 3.23Å; W1644-Q1648 WeakPolarHBondContact O-CB 3.4Å; W1644-Q1648 PolarHBondContact O-N 3.05Å; W1644-E1651 WeakPolarHBondContact CZ3-OE2 3.35Å |
| 1645 | Q | 68.7 | Low | 55 | Low | 139.8 Ų | 139.8 | 119.6 Ų | 119.6 | 65% | 0.653 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.1 | -34.2 | 174 | -75.8 | -176.1 | -24.1 | 0 | 0 | 113.1 | P1641 S1643 S1649 | P1641-Q1645 WeakPolarHBondContact O-CB 3.26Å; P1641-Q1645 WeakPolarHBondContact O-CG 3.47Å; P1641-Q1645 PolarHBondContact O-N 2.9Å; S1643-Q1645 PolarHBondContact O-N 3.15Å; Q1645-S1649 VanDerWaalsContact O-CB 3.32Å; Q1645-S1649 WeakPolarHBondContact O-CB 3.42Å; Q1645-S1649 PolarHBondContact O-N 2.92Å; Q1645-S1649 VanDerWaalsContact O-N 3.08Å; Q1645-S1649 PolarHBondContact O-OG 2.99Å |
| 1646 | K | 64.6 | Low | 54.8 | Low | 142.6 Ų | 142.6 | 118.8 Ų | 118.8 | 62% | 0.62 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72.2 | -40.2 | 178.8 | -159.6 | 154.6 | -177.6 | -176.9 | 0 | 111.5 | S1642 S1643 W1644 S1649 L1650 | S1642-K1646 WeakPolarHBondContact O-CB 3.26Å; S1642-K1646 PolarHBondContact O-N 2.84Å; S1642-K1646 VanDerWaalsContact O-N 3.15Å; S1643-K1646 WeakPolarHBondContact O-CB 3.46Å; S1643-K1646 PolarHBondContact O-N 3.1Å; S1643-K1646 VanDerWaalsContact O-N 3.11Å; W1644-K1646 VanDerWaalsContact C-N 3.28Å; W1644-K1646 PolarHBondContact O-N 2.95Å; W1644-K1646 VanDerWaalsContact O-N 3.08Å; K1646-S1649 WeakPolarHBondContact CA-OG 3.27Å; K1646-S1649 PolarHBondContact O-N 2.86Å; K1646-S1649 PolarHBondContact O-OG 3.09Å; K1646-L1650 HydrophobicContact CG-CD1 4.27Å; K1646-L1650 WeakPolarHBondContact O-CG 3.34Å; K1646-L1650 PolarHBondContact O-N 2.95Å; K1646-L1650 VanDerWaalsContact O-N 3.16Å |
| 1647 | I | 63.7 | Low | 54.4 | Low | 78.8 Ų | 78.8 | 117 Ų | 117 | 40% | 0.404 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -61.4 | -50.8 | 173.3 | -67.8 | 164.2 | 0 | 0 | 0 | 110.2 | S1643 W1644 S1649 L1650 E1651 | S1643-I1647 WeakPolarHBondContact O-CG1 3.34Å; S1643-I1647 PolarHBondContact O-N 3.12Å; S1643-I1647 VanDerWaalsContact O-N 3.11Å; W1644-I1647 HydrophobicContact CE3-CB 4.15Å; W1644-I1647 HydrophobicContact CE3-CG2 4.16Å; W1644-I1647 HydrophobicContact CZ3-CG2 4.08Å; W1644-I1647 PolarHBondContact O-N 3.35Å; W1644-I1647 VanDerWaalsContact O-N 3.1Å; I1647-S1649 PolarHBondContact O-N 3.04Å; I1647-S1649 VanDerWaalsContact O-N 3.13Å; I1647-L1650 WeakPolarHBondContact O-CA 3.43Å; I1647-L1650 WeakPolarHBondContact O-CB 3.39Å; I1647-L1650 PolarHBondContact O-N 3.15Å; I1647-E1651 HydrophobicContact CG2-CG 4.26Å; I1647-E1651 VanDerWaalsContact CG2-OE1 3.3Å; I1647-E1651 WeakPolarHBondContact CG2-OE1 3.33Å; I1647-E1651 WeakPolarHBondContact O-CG 3.27Å; I1647-E1651 PolarHBondContact O-N 3.03Å |
| 1648 | Q | 65.2 | Low | 53.9 | Low | 96.4 Ų | 96.4 | 114.6 Ų | 114.6 | 45% | 0.45 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -57.4 | -32.9 | 175.4 | -89.4 | -169.9 | -33.4 | 0 | 0 | 113.4 | W1644 L1650 S1652 | W1644-Q1648 HydrophobicContact CD2-CB 4.41Å; W1644-Q1648 HydrophobicContact CD2-CG 4.44Å; W1644-Q1648 HydrophobicContact CE3-CB 3.78Å; W1644-Q1648 HydrophobicContact CE3-CG 4.17Å; W1644-Q1648 HydrophobicContact CH2-CB 4.18Å; W1644-Q1648 VanDerWaalsContact CH2-CD 3.49Å; W1644-Q1648 HydrophobicContact CH2-CG 4.16Å; W1644-Q1648 HydrophobicContact CZ2-CG 4.4Å; W1644-Q1648 HydrophobicContact CZ3-CB 3.63Å; W1644-Q1648 HydrophobicContact CZ3-CG 3.91Å; W1644-Q1648 VanDerWaalsContact O-CB 3.23Å; W1644-Q1648 WeakPolarHBondContact O-CB 3.4Å; W1644-Q1648 PolarHBondContact O-N 3.05Å; Q1648-L1650 VanDerWaalsContact C-N 3.29Å; Q1648-L1650 PolarHBondContact O-N 3.03Å; Q1648-S1652 WeakPolarHBondContact O-CB 3.37Å; Q1648-S1652 PolarHBondContact O-N 3.02Å; Q1648-S1652 VanDerWaalsContact O-N 3.13Å; Q1648-S1652 PolarHBondContact O-OG 3.1Å |
| 1649 | S | 67.4 | Low | 53.4 | Low | 61.4 Ų | 61.4 | 119.4 Ų | 119.4 | 43% | 0.429 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -74.4 | -18.2 | 176.1 | 77.8 | 0 | 0 | 0 | 0 | 114.4 | Q1645 K1646 I1647 S1652 | Q1645-S1649 VanDerWaalsContact O-CB 3.32Å; Q1645-S1649 WeakPolarHBondContact O-CB 3.42Å; Q1645-S1649 PolarHBondContact O-N 2.92Å; Q1645-S1649 VanDerWaalsContact O-N 3.08Å; Q1645-S1649 PolarHBondContact O-OG 2.99Å; K1646-S1649 WeakPolarHBondContact CA-OG 3.27Å; K1646-S1649 PolarHBondContact O-N 2.86Å; K1646-S1649 PolarHBondContact O-OG 3.09Å; I1647-S1649 PolarHBondContact O-N 3.04Å; I1647-S1649 VanDerWaalsContact O-N 3.13Å; S1649-S1652 PolarHBondContact O-OG 3.03Å; S1649-S1652 VanDerWaalsContact O-OG 3.04Å |
| 1650 | L | 58.7 | Low | 52.5 | Low | 113.4 Ų | 113.4 | 119.3 Ų | 119.3 | 59% | 0.594 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -91.4 | -38.8 | 176.2 | -68.8 | 166.4 | 0 | 0 | 0 | 110.7 | K1646 I1647 Q1648 S1652 K1653 | K1646-L1650 HydrophobicContact CG-CD1 4.27Å; K1646-L1650 WeakPolarHBondContact O-CG 3.34Å; K1646-L1650 PolarHBondContact O-N 2.95Å; K1646-L1650 VanDerWaalsContact O-N 3.16Å; I1647-L1650 WeakPolarHBondContact O-CA 3.43Å; I1647-L1650 WeakPolarHBondContact O-CB 3.39Å; I1647-L1650 PolarHBondContact O-N 3.15Å; Q1648-L1650 VanDerWaalsContact C-N 3.29Å; Q1648-L1650 PolarHBondContact O-N 3.03Å; L1650-S1652 VanDerWaalsContact C-N 3.31Å; L1650-S1652 PolarHBondContact O-N 3.17Å; L1650-S1652 VanDerWaalsContact O-N 3.11Å; L1650-K1653 WeakPolarHBondContact O-CB 3.49Å; L1650-K1653 PolarHBondContact O-N 3.07Å |
| 1651 | E | 57.5 | Low | 52 | Low | 136.6 Ų | 136.6 | 120.8 Ų | 120.8 | 64% | 0.638 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.4 | -23.6 | 174.4 | -67 | 171 | 165 | 0 | 0 | 113.3 | W1644 I1647 K1653 | W1644-E1651 WeakPolarHBondContact CZ3-OE2 3.35Å; I1647-E1651 HydrophobicContact CG2-CG 4.26Å; I1647-E1651 VanDerWaalsContact CG2-OE1 3.3Å; I1647-E1651 WeakPolarHBondContact CG2-OE1 3.33Å; I1647-E1651 WeakPolarHBondContact O-CG 3.27Å; I1647-E1651 PolarHBondContact O-N 3.03Å; E1651-K1653 VanDerWaalsContact C-N 3.25Å; E1651-K1653 PolarHBondContact O-N 2.96Å |
| 1652 | S | 55 | Low | 51 | Low | 85.8 Ų | 85.8 | 122 Ų | 122 | 60% | 0.6 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 22.8 | 177.7 | 63.8 | 0 | 0 | 0 | 0 | 114.2 | Q1648 S1649 L1650 P1654 | Q1648-S1652 WeakPolarHBondContact O-CB 3.37Å; Q1648-S1652 PolarHBondContact O-N 3.02Å; Q1648-S1652 VanDerWaalsContact O-N 3.13Å; Q1648-S1652 PolarHBondContact O-OG 3.1Å; S1649-S1652 PolarHBondContact O-OG 3.03Å; S1649-S1652 VanDerWaalsContact O-OG 3.04Å; L1650-S1652 VanDerWaalsContact C-N 3.31Å; L1650-S1652 PolarHBondContact O-N 3.17Å; L1650-S1652 VanDerWaalsContact O-N 3.11Å; S1652-P1654 VanDerWaalsContact O-CD 3.31Å; S1652-P1654 WeakPolarHBondContact O-CD 3.4Å |
| 1653 | K | 42.8 | Very low | 50.2 | Low | 162.6 Ų | 162.6 | 126.2 Ų | 126.2 | 71% | 0.707 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -76.6 | 127.1 | 171.9 | -88.1 | -177.9 | 177.1 | -179.8 | 0 | 110.4 | L1650 E1651 E1655 | L1650-K1653 WeakPolarHBondContact O-CB 3.49Å; L1650-K1653 PolarHBondContact O-N 3.07Å; E1651-K1653 VanDerWaalsContact C-N 3.25Å; E1651-K1653 PolarHBondContact O-N 2.96Å; K1653-E1655 PolarHBondContact O-N 2.85Å |
| 1654 | P | 44.9 | Very low | 50.1 | Low | 113.6 Ų | 113.6 | 132 Ų | 132 | 74% | 0.738 | 67% | 0.674 | S | S | * | * | trans | -69.5 | 134.7 | 177.5 | 28.6 | -33.2 | 0 | 0 | 0 | 110.8 | S1652 V1656 | S1652-P1654 VanDerWaalsContact O-CD 3.31Å; S1652-P1654 WeakPolarHBondContact O-CD 3.4Å; P1654-V1656 HydrophobicContact CB-CG2 4.27Å; P1654-V1656 HydrophobicContact CG-CG2 4.46Å; P1654-V1656 PolarHBondContact O-N 3.02Å; P1654-V1656 VanDerWaalsContact O-N 3.14Å | ||
| 1655 | E | 40.6 | Very low | 50.1 | Low | 184.4 Ų | 184.4 | 133.1 Ų | 133.1 | 86% | 0.862 | 68% | 0.678 | S | S | * | * | trans | -66.7 | 121.7 | 175.8 | -157.9 | 172.9 | -166.3 | 0 | 0 | 110.5 | K1653 V1657 | K1653-E1655 PolarHBondContact O-N 2.85Å; E1655-V1657 HydrophobicContact CG-CG2 4.04Å; E1655-V1657 PolarHBondContact O-N 2.91Å | ||
| 1656 | V | 40.3 | Very low | 50.3 | Low | 128 Ų | 128 | 132.4 Ų | 132.4 | 78% | 0.776 | 67% | 0.673 | S | S | * | * | trans | -96.6 | 107.7 | 175.9 | 179.1 | 0 | 0 | 0 | 0 | 107.8 | P1654 P1658 | P1654-V1656 HydrophobicContact CB-CG2 4.27Å; P1654-V1656 HydrophobicContact CG-CG2 4.46Å; P1654-V1656 PolarHBondContact O-N 3.02Å; P1654-V1656 VanDerWaalsContact O-N 3.14Å; V1656-P1658 WeakPolarHBondContact O-CD 3.38Å | ||
| 1657 | V | 39.2 | Very low | 51.2 | Low | 121.4 Ų | 121.4 | 131.7 Ų | 131.7 | 74% | 0.736 | 67% | 0.67 | S | S | * | * | trans | -67.4 | 122.3 | 176.9 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | E1655 E1659 | E1655-V1657 HydrophobicContact CG-CG2 4.04Å; E1655-V1657 PolarHBondContact O-N 2.91Å; V1657-E1659 PolarHBondContact O-N 3.08Å | ||
| 1658 | P | 36.6 | Very low | 52.3 | Low | 109.8 Ų | 109.8 | 128.1 Ų | 128.1 | 71% | 0.713 | 65% | 0.652 | S | S | * | * | trans | -79.6 | 129.4 | 172.3 | -10.5 | 27.2 | 0 | 0 | 0 | 110.6 | V1656 E1660 | V1656-P1658 WeakPolarHBondContact O-CD 3.38Å; P1658-E1660 PolarHBondContact O-N 2.75Å | ||
| 1659 | E | 37.4 | Very low | 53.4 | Low | 184.2 Ų | 184.2 | 126.2 Ų | 126.2 | 86% | 0.861 | 65% | 0.649 | S | S | * | * | trans | -71.6 | 131.5 | 168.6 | -67.6 | -178.8 | 137.9 | 0 | 0 | 110.3 | V1657 I1661 | V1657-E1659 PolarHBondContact O-N 3.08Å; E1659-I1661 PolarHBondContact O-N 3.18Å; E1659-I1661 VanDerWaalsContact O-N 3.16Å | ||
| 1660 | E | 35 | Very low | 54.5 | Low | 174.6 Ų | 174.6 | 125.2 Ų | 125.2 | 82% | 0.816 | 64% | 0.638 | S | S | * | * | trans | -70.5 | 114.5 | 177.4 | -69.4 | -177.5 | 133.8 | 0 | 0 | 111.6 | P1658 V1662 | P1658-E1660 PolarHBondContact O-N 2.75Å; E1660-V1662 VanDerWaalsContact C-N 3.28Å; E1660-V1662 HydrophobicContact CB-CG2 4.14Å; E1660-V1662 PolarHBondContact O-N 3.1Å; E1660-V1662 VanDerWaalsContact O-N 3.14Å | ||
| 1661 | I | 38.1 | Very low | 55.9 | Low | 148.2 Ų | 148.2 | 124.5 Ų | 124.5 | 76% | 0.76 | 63% | 0.634 | S | S | * | * | trans | -86.2 | 106 | 161.3 | -59.2 | 174.5 | 0 | 0 | 0 | 106.6 | E1659 E1663 | E1659-I1661 PolarHBondContact O-N 3.18Å; E1659-I1661 VanDerWaalsContact O-N 3.16Å; I1661-E1663 VanDerWaalsContact C-N 3.33Å; I1661-E1663 HydrophobicContact CG2-CG 4.21Å; I1661-E1663 PolarHBondContact O-N 3.05Å; I1661-E1663 VanDerWaalsContact O-N 3.14Å | ||
| 1662 | V | 39.4 | Very low | 57.2 | Low | 118.2 Ų | 118.2 | 122.8 Ų | 122.8 | 72% | 0.716 | 63% | 0.626 | S | S | * | * | trans | -72.5 | 95.5 | 175.7 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | E1660 E1664 | E1660-V1662 VanDerWaalsContact C-N 3.28Å; E1660-V1662 HydrophobicContact CB-CG2 4.14Å; E1660-V1662 PolarHBondContact O-N 3.1Å; E1660-V1662 VanDerWaalsContact O-N 3.14Å; V1662-E1664 PolarHBondContact O-N 3.19Å | ||
| 1663 | E | 45.6 | Very low | 58.7 | Low | 161.8 Ų | 161.8 | 121.4 Ų | 121.4 | 76% | 0.756 | 62% | 0.62 | S | S | * | * | trans | -75.6 | 120.6 | 168.6 | -71 | -155.6 | 142 | 0 | 0 | 109.7 | I1661 R1665 | I1661-E1663 VanDerWaalsContact C-N 3.33Å; I1661-E1663 HydrophobicContact CG2-CG 4.21Å; I1661-E1663 PolarHBondContact O-N 3.05Å; I1661-E1663 VanDerWaalsContact O-N 3.14Å; E1663-R1665 PolarHBondContact O-N 2.89Å; E1663-R1665 VanDerWaalsContact O-N 3.1Å | ||
| 1664 | E | 51.1 | Low | 61 | Low | 168.6 Ų | 168.6 | 114.2 Ų | 114.2 | 79% | 0.788 | 59% | 0.589 | S | S | * | * | trans | -62.6 | 116.6 | 175.4 | -67.2 | -177.2 | 151.8 | 0 | 0 | 110 | V1662 K1666 | V1662-E1664 PolarHBondContact O-N 3.19Å; E1664-K1666 PolarHBondContact O-N 2.83Å | ||
| 1665 | R | 60.4 | Low | 63.1 | Low | 165 Ų | 165 | 114.8 Ų | 114.8 | 62% | 0.623 | 59% | 0.586 | S | S | * | * | trans | -57.2 | 134.2 | 171.5 | -65.2 | -177.5 | -179.8 | -167.4 | -2.2 | 109 | E1663 E1749 | E1663-R1665 PolarHBondContact O-N 2.89Å; E1663-R1665 VanDerWaalsContact O-N 3.1Å; R1665-E1749 HydrophobicContact CB-CG 3.62Å; R1665-E1749 VanDerWaalsContact CB-CG 3.42Å; R1665-E1749 WeakPolarHBondContact CB-OE1 3.42Å; R1665-E1749 WeakPolarHBondContact CD-OE1 3.31Å | ||
| 1666 | K | 72.8 | Confident | 65.4 | Low | 124.8 Ų | 124.8 | 110.4 Ų | 110.4 | 54% | 0.543 | 57% | 0.569 | S | S | . | * | trans | -114.9 | 143.5 | 178.6 | -67.1 | 168.9 | -169.4 | 163.8 | 0 | 108.9 | N816 F843 E1664 P1694 N1747 | N816-K1666 WeakPolarHBondContact OD1-CE 3.34Å; N816-K1666 PolarHBondContact OD1-NZ 3.16Å; F843-K1666 HydrophobicContact CD1-CD 4.27Å; F843-K1666 HydrophobicContact CE1-CD 3.99Å; E1664-K1666 PolarHBondContact O-N 2.83Å; K1666-P1694 HydrophobicContact CB-CG 4.43Å; K1666-N1747 PolarHBondContact O-ND2 2.91Å | ||
| 1667 | K | 84.1 | Confident | 67.7 | Low | 128.4 Ų | 128.4 | 105.9 Ų | 105.9 | 56% | 0.558 | 54% | 0.541 | S | S | * | . | trans | -56.8 | 148.8 | 168.8 | 68.8 | 174.6 | -173.4 | 169.7 | 0 | 110.4 | E1749 | K1667-E1749 HydrophobicContact CB-CB 4.22Š| ||
| 1668 | P | 86.9 | Confident | 69.8 | Low | 3.8 Ų | 3.8 | 104.4 Ų | 104.4 | 3% | 0.025 | 53% | 0.526 | C | S | . | . | trans | -59.9 | 150 | 178.5 | 17.3 | -23 | 0 | 0 | 0 | 110.9 | E1693 I1700 L1745 N1747 G1750 A1752 | P1668-E1693 CarbonylContact C-O 3.43Å; P1668-E1693 WeakPolarHBondContact CA-O 3.37Å; P1668-I1700 HydrophobicContact CB-CD1 4.2Å; P1668-I1700 HydrophobicContact CB-CG1 4.47Å; P1668-I1700 HydrophobicContact CG-CD1 4.43Å; P1668-I1700 HydrophobicContact CG-CG1 4.26Å; P1668-L1745 HydrophobicContact CB-CB 3.92Å; P1668-L1745 HydrophobicContact CG-CB 3.98Å; P1668-L1745 VanDerWaalsContact CG-O 3.28Å; P1668-L1745 WeakPolarHBondContact CG-O 3.4Å; P1668-N1747 VanDerWaalsContact CD-CG 3.47Å; P1668-N1747 VanDerWaalsContact CD-OD1 3.25Å; P1668-N1747 WeakPolarHBondContact CD-OD1 3.36Å; P1668-N1747 HydrophobicContact CG-CB 4.15Å; P1668-G1750 VanDerWaalsContact CD-O 3.29Å; P1668-G1750 WeakPolarHBondContact CD-O 3.41Å; P1668-A1752 HydrophobicContact CB-CB 4.41Å; P1668-A1752 HydrophobicContact CG-CB 4.24Å; P1668-A1752 VanDerWaalsContact O-CB 3.27Å; P1668-A1752 WeakPolarHBondContact O-CB 3.23Å | ||
| 1669 | S | 88.1 | Confident | 71.8 | Confident | 55.4 Ų | 55.4 | 103 Ų | 103 | 39% | 0.387 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 132.1 | 179.3 | 74.6 | 0 | 0 | 0 | 0 | 109 | I1671 Y1692 E1693 | S1669-I1671 PolarHBondContact O-N 3.1Å; S1669-Y1692 CarbonylContact O-C 3.53Å; S1669-Y1692 WeakPolarHBondContact O-CA 3.27Å; S1669-Y1692 WeakPolarHBondContact O-CB 3.29Å; S1669-E1693 PolarHBondContact N-O 3.1Å; S1669-E1693 PolarHBondContact O-N 3.07Å; S1669-E1693 PolarHBondContact OG-O 3.17Å |
| 1670 | I | 89.7 | Confident | 73.8 | Confident | 41.2 Ų | 41.2 | 94.9 Ų | 94.9 | 21% | 0.211 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 116.1 | -178.8 | -64.3 | 172.9 | 0 | 0 | 0 | 107.7 | E1672 A1673 A1690 R1691 L1743 L1745 A1752 A1754 | I1670-E1672 VanDerWaalsContact CG2-O 3.27Å; I1670-E1672 WeakPolarHBondContact CG2-O 3.4Å; I1670-A1673 HydrophobicContact CG2-CB 4.28Å; I1670-A1690 HydrophobicContact CG2-CB 4.34Å; I1670-R1691 CarbonylContact C-O 3.51Å; I1670-R1691 WeakPolarHBondContact CA-O 3.4Å; I1670-L1743 HydrophobicContact CD1-CD2 4.44Å; I1670-L1745 HydrophobicContact CD1-CD1 4.26Å; I1670-L1745 HydrophobicContact CG1-CD1 3.84Å; I1670-A1752 HydrophobicContact CD1-CB 4.27Å; I1670-A1752 HydrophobicContact CG1-CB 4.3Å; I1670-A1754 HydrophobicContact CB-CB 4.38Å; I1670-A1754 HydrophobicContact CD1-CB 3.55Å; I1670-A1754 VanDerWaalsContact CD1-CB 3.46Å; I1670-A1754 VanDerWaalsContact CD1-N 3.34Å; I1670-A1754 HydrophobicContact CG1-CB 4.48Å; I1670-A1754 HydrophobicContact CG2-CB 4.18Å |
| 1671 | I | 87.7 | Confident | 75.8 | Confident | 97.4 Ų | 97.4 | 90.9 Ų | 90.9 | 50% | 0.499 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -48.9 | -176.4 | -51.4 | 169.3 | 0 | 0 | 0 | 109.8 | S1669 R1691 E1693 | S1669-I1671 PolarHBondContact O-N 3.1Å; I1671-R1691 HydrophobicContact CB-CB 4.25Å; I1671-R1691 HydrophobicContact CD1-CB 4.14Å; I1671-R1691 HydrophobicContact CG1-CB 4.45Å; I1671-R1691 PolarHBondContact N-O 3.08Å; I1671-E1693 HydrophobicContact CD1-CB 3.86Å; I1671-E1693 VanDerWaalsContact CD1-CD 3.46Å; I1671-E1693 HydrophobicContact CD1-CG 3.8Å; I1671-E1693 VanDerWaalsContact CD1-CG 3.4Å; I1671-E1693 HydrophobicContact CG1-CB 4.22Å; I1671-E1693 HydrophobicContact CG1-CG 4.17Å |
| 1672 | E | 86.5 | Confident | 77.8 | Confident | 100.8 Ų | 100.8 | 86.1 Ų | 86.1 | 47% | 0.471 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 114.9 | 174 | -65.1 | 178.2 | -179.4 | 0 | 0 | 107 | I1670 A1690 R1691 | I1670-E1672 VanDerWaalsContact CG2-O 3.27Å; I1670-E1672 WeakPolarHBondContact CG2-O 3.4Å; E1672-A1690 CarbonylContact O-C 3.55Å; E1672-A1690 VanDerWaalsContact O-CA 3.25Å; E1672-A1690 WeakPolarHBondContact O-CA 3.31Å; E1672-A1690 VanDerWaalsContact O-CB 3.28Å; E1672-A1690 WeakPolarHBondContact O-CB 3.33Å; E1672-R1691 HydrophobicContact CB-CB 3.93Å; E1672-R1691 HydrophobicContact CB-CG 4.15Å; E1672-R1691 VanDerWaalsContact CD-CD 3.48Å; E1672-R1691 VanDerWaalsContact CD-NE 3.29Å; E1672-R1691 HydrophobicContact CG-CB 4.22Å; E1672-R1691 HydrophobicContact CG-CG 4.3Å; E1672-R1691 PolarHBondContact N-O 3.13Å; E1672-R1691 PolarHBondContact O-N 2.81Å; E1672-R1691 WeakPolarHBondContact OE1-CD 3.31Å; E1672-R1691 IonicContact OE1-CZ 3.74Å; E1672-R1691 IonicContact OE1-NE 3.28Å; E1672-R1691 PolarHBondContact OE1-NE 3.1Å; E1672-R1691 IonicContact OE1-NH1 2.72Å; E1672-R1691 PolarHBondContact OE1-NH1 2.92Å; E1672-R1691 VanDerWaalsContact OE2-CD 3.27Å; E1672-R1691 WeakPolarHBondContact OE2-CD 3.39Å; E1672-R1691 VanDerWaalsContact OE2-CG 3.31Å; E1672-R1691 WeakPolarHBondContact OE2-CG 3.3Å; E1672-R1691 IonicContact OE2-CZ 2.98Å; E1672-R1691 IonicContact OE2-NE 3.13Å; E1672-R1691 PolarHBondContact OE2-NE 3.07Å; E1672-R1691 IonicContact OE2-NH1 2.71Å; E1672-R1691 IonicContact OE2-NH2 3.12Å |
| 1673 | A | 85.9 | Confident | 79.5 | Confident | 57.2 Ų | 57.2 | 81.8 Ų | 81.8 | 47% | 0.473 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -83.4 | 159 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1670 N1675 A1754 | I1670-A1673 HydrophobicContact CG2-CB 4.28Å; A1673-N1675 PolarHBondContact O-N 3.1Å; A1673-A1754 HydrophobicContact CB-CB 4.23Å |
| 1674 | L | 90.6 | Very high | 81.3 | Confident | 11.6 Ų | 11.6 | 78.3 Ų | 78.3 | 6% | 0.061 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 133.7 | 175.2 | -56.7 | 174.9 | 0 | 0 | 0 | 111.3 | L1688 A1690 W1704 Y1741 L1743 A1754 C1756 | L1674-L1688 HydrophobicContact CD2-CB 4.28Å; L1674-A1690 HydrophobicContact CD2-CB 3.73Å; L1674-A1690 HydrophobicContact CG-CB 4.32Å; L1674-W1704 HydrophobicContact CD1-CE3 4.48Å; L1674-W1704 HydrophobicContact CD1-CH2 4.26Å; L1674-W1704 HydrophobicContact CD1-CZ3 3.76Å; L1674-W1704 HydrophobicContact CD2-CH2 3.43Å; L1674-W1704 VanDerWaalsContact CD2-CH2 3.45Å; L1674-W1704 HydrophobicContact CD2-CZ2 4.42Å; L1674-W1704 HydrophobicContact CD2-CZ3 3.78Å; L1674-W1704 HydrophobicContact CG-CH2 4.46Å; L1674-W1704 HydrophobicContact CG-CZ3 4.41Å; L1674-Y1741 WeakPolarHBondContact CD1-O 3.44Å; L1674-L1743 HydrophobicContact CD1-CB 3.91Å; L1674-L1743 HydrophobicContact CD2-CB 4.43Å; L1674-L1743 HydrophobicContact CG-CB 4.35Å; L1674-A1754 HydrophobicContact CD1-CB 4.45Å; L1674-A1754 WeakPolarHBondContact CD1-O 3.41Å; L1674-A1754 HydrophobicContact CG-CB 4.32Å; L1674-C1756 HydrophobicContact CB-CB 3.59Å; L1674-C1756 HydrophobicContact CD1-CB 4.49Å; L1674-C1756 WeakPolarHBondContact O-CB 3.37Å |
| 1675 | N | 88.7 | Confident | 83 | Confident | 126.4 Ų | 126.4 | 74 Ų | 74 | 68% | 0.676 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -88.1 | 141.7 | 175.7 | -69.8 | -61.1 | 0 | 0 | 0 | 111.7 | A1673 V1677 C1756 | A1673-N1675 PolarHBondContact O-N 3.1Å; N1675-V1677 PolarHBondContact O-N 2.94Å; N1675-C1756 VanDerWaalsContact C-CB 3.48Å; N1675-C1756 VanDerWaalsContact O-CB 3.27Å; N1675-C1756 WeakPolarHBondContact O-CB 3.35Å; N1675-C1756 PolarHBondContact O-SG 2.87Å |
| 1676 | D | 90.1 | Very high | 84.4 | Confident | 91.8 Ų | 91.8 | 66.5 Ų | 66.5 | 49% | 0.491 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 126.3 | 172.4 | -79.8 | -15.1 | 0 | 0 | 0 | 111 | K953 E1678 C1756 T1757 | K953-D1676 PolarHBondContact NZ-O 3.44Å; D1676-E1678 HydrophobicContact CB-CG 4.41Å; D1676-E1678 PolarHBondContact O-N 3.05Å; D1676-C1756 WeakPolarHBondContact OD1-CA 3.35Å; D1676-C1756 WeakPolarHBondContact OD1-CB 3.48Å; D1676-T1757 CarbonylContact C-O 3.35Å; D1676-T1757 WeakPolarHBondContact CA-O 3.5Å; D1676-T1757 WeakPolarHBondContact OD1-CB 2.93Å; D1676-T1757 PolarHBondContact OD1-N 2.95Å; D1676-T1757 PolarHBondContact OD1-OG1 2.87Å |
| 1677 | V | 88.2 | Confident | 85.4 | Confident | 32.8 Ų | 32.8 | 63.8 Ų | 63.8 | 20% | 0.199 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 84.9 | 175 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | N1675 A1680 V1686 L1688 T1757 V1758 R1759 | N1675-V1677 PolarHBondContact O-N 2.94Å; V1677-A1680 HydrophobicContact CG1-CB 3.83Å; V1677-A1680 VanDerWaalsContact CG1-CB 3.48Å; V1677-V1686 HydrophobicContact CB-CG1 4.4Å; V1677-V1686 HydrophobicContact CG1-CG1 4.06Å; V1677-V1686 HydrophobicContact CG1-CG2 4.33Å; V1677-V1686 HydrophobicContact CG2-CG1 4.15Å; V1677-L1688 HydrophobicContact CB-CD2 4.22Å; V1677-L1688 HydrophobicContact CG2-CD2 3.62Å; V1677-L1688 VanDerWaalsContact CG2-CD2 3.48Å; V1677-T1757 CarbonylContact C-O 3.51Å; V1677-T1757 PolarHBondContact N-O 2.96Å; V1677-V1758 HydrophobicContact CB-CG1 4.38Å; V1677-V1758 HydrophobicContact CB-CG2 4.32Å; V1677-V1758 HydrophobicContact CG2-CG2 4.45Å; V1677-V1758 CarbonylContact O-C 3.51Å; V1677-V1758 WeakPolarHBondContact O-CA 3.31Å; V1677-R1759 PolarHBondContact O-N 3.19Å |
| 1678 | E | 83.3 | Confident | 85.8 | Confident | 89.8 Ų | 89.8 | 57.8 Ų | 57.8 | 42% | 0.42 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 126.2 | 174.5 | -61.1 | -158 | 131.4 | 0 | 0 | 111.9 | K953 D1676 R1759 | K953-E1678 WeakPolarHBondContact CB-O 3.28Å; K953-E1678 HydrophobicContact CD-CB 4.13Å; K953-E1678 WeakPolarHBondContact CD-O 3.48Å; K953-E1678 WeakPolarHBondContact CE-O 3.29Å; K953-E1678 WeakPolarHBondContact CG-O 3.48Å; K953-E1678 IonicContact NZ-OE2 3.58Å; D1676-E1678 HydrophobicContact CB-CG 4.41Å; D1676-E1678 PolarHBondContact O-N 3.05Å; E1678-R1759 CarbonylContact C-O 3.54Å; E1678-R1759 IonicContact OE1-CZ 3.35Å; E1678-R1759 VanDerWaalsContact OE1-CZ 3.24Å; E1678-R1759 IonicContact OE1-NH1 3.26Å; E1678-R1759 PolarHBondContact OE1-NH1 3.09Å; E1678-R1759 IonicContact OE1-NH2 3.17Å; E1678-R1759 PolarHBondContact OE1-NH2 3.05Å |
| 1679 | N | 78.2 | Confident | 86 | Confident | 81 Ų | 81 | 62.3 Ų | 62.3 | 43% | 0.433 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.9 | 45.2 | 174.8 | -39.2 | -72.8 | 0 | 0 | 0 | 114.9 | K953 I954 R1759 Q1761 | K953-N1679 CarbonylContact C-O 3.58Å; K953-N1679 WeakPolarHBondContact CA-O 3.47Å; K953-N1679 HydrophobicContact CB-CB 3.59Å; K953-N1679 WeakPolarHBondContact CB-ND2 3.17Å; K953-N1679 WeakPolarHBondContact CB-O 3.38Å; I954-N1679 VanDerWaalsContact N-C 3.29Å; I954-N1679 PolarHBondContact N-O 2.84Å; I954-N1679 CarbonylContact O-C 3.46Å; I954-N1679 WeakPolarHBondContact O-CA 3.42Å; N1679-R1759 CarbonylContact C-O 3.55Å; N1679-R1759 WeakPolarHBondContact CA-O 3.46Å; N1679-R1759 PolarHBondContact N-O 2.88Å; N1679-R1759 VanDerWaalsContact N-O 3.13Å; N1679-Q1761 HydrophobicContact CB-CB 3.83Å; N1679-Q1761 HydrophobicContact CB-CG 4.24Å; N1679-Q1761 VanDerWaalsContact CB-NE2 3.31Å; N1679-Q1761 VanDerWaalsContact CG-NE2 3.35Å; N1679-Q1761 PolarHBondContact OD1-NE2 3Å |
| 1680 | A | 79.6 | Confident | 86.2 | Confident | 15 Ų | 15 | 59.7 Ų | 59.7 | 12% | 0.124 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 136.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | I954 A955 V1677 E1682 V1686 R1759 I1760 Q1761 | I954-A1680 CarbonylContact O-C 3.53Å; I954-A1680 WeakPolarHBondContact O-CA 3.43Å; I954-A1680 PolarHBondContact O-N 3.01Å; A955-A1680 WeakPolarHBondContact CB-O 3.19Å; V1677-A1680 HydrophobicContact CG1-CB 3.83Å; V1677-A1680 VanDerWaalsContact CG1-CB 3.48Å; A1680-E1682 PolarHBondContact O-N 3.11Å; A1680-V1686 HydrophobicContact CB-CG2 3.61Å; A1680-R1759 PolarHBondContact N-O 2.86Å; A1680-I1760 HydrophobicContact CB-CG1 3.92Å; A1680-I1760 CarbonylContact O-C 3.51Å; A1680-I1760 VanDerWaalsContact O-CA 3.28Å; A1680-I1760 WeakPolarHBondContact O-CA 3.27Å; A1680-Q1761 PolarHBondContact O-N 2.95Å |
| 1681 | E | 77.7 | Confident | 86.4 | Confident | 90 Ų | 90 | 63.3 Ų | 63.3 | 42% | 0.421 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 138.9 | 178 | -62.5 | -164.7 | 156.4 | 0 | 0 | 111.2 | I954 G1683 L1684 A1733 Q1763 | I954-E1681 HydrophobicContact CB-CB 4.46Å; I954-E1681 HydrophobicContact CB-CG 3.36Å; I954-E1681 HydrophobicContact CD1-CG 3.6Å; I954-E1681 HydrophobicContact CG1-CG 4.1Å; I954-E1681 HydrophobicContact CG2-CG 3.52Å; I954-E1681 VanDerWaalsContact CG2-OE1 3.31Å; I954-E1681 WeakPolarHBondContact CG2-OE1 3.19Å; I954-E1681 PolarHBondContact O-N 2.83Å; E1681-G1683 CarbonylContact O-C 3.55Å; E1681-G1683 VanDerWaalsContact O-C 3.27Å; E1681-G1683 PolarHBondContact O-N 3.08Å; E1681-L1684 HydrophobicContact CB-CB 3.87Å; E1681-L1684 HydrophobicContact CB-CD1 3.92Å; E1681-L1684 HydrophobicContact CB-CG 4.09Å; E1681-L1684 HydrophobicContact CG-CD1 4.25Å; E1681-L1684 HydrophobicContact CG-CG 4.24Å; E1681-L1684 PolarHBondContact O-N 2.84Å; E1681-L1684 WeakPolarHBondContact OE2-CD1 3.38Å; E1681-A1733 WeakPolarHBondContact O-CB 3.41Å; E1681-Q1763 PolarHBondContact OE1-NE2 2.79Å; E1681-Q1763 PolarHBondContact OE2-NE2 2.99Å |
| 1682 | E | 79.2 | Confident | 86.5 | Confident | 47.2 Ų | 47.2 | 59.4 Ų | 59.4 | 22% | 0.221 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 125 | 175 | 178.8 | 158.4 | -124.5 | 0 | 0 | 110.2 | A955 W956 L963 F968 A1680 A1733 Y1734 A1735 I1760 Q1761 K1762 Q1763 | A955-E1682 HydrophobicContact CB-CB 4.01Å; W956-E1682 HydrophobicContact CB-CB 3.56Å; W956-E1682 HydrophobicContact CB-CG 3.41Å; W956-E1682 VanDerWaalsContact CB-CG 3.41Å; W956-E1682 VanDerWaalsContact CB-OE1 3.31Å; W956-E1682 WeakPolarHBondContact CB-OE1 3.42Å; W956-E1682 WeakPolarHBondContact CB-OE2 3.31Å; W956-E1682 VanDerWaalsContact CD1-CA 3.44Å; W956-E1682 HydrophobicContact CD2-CG 4.14Å; W956-E1682 HydrophobicContact CG-CB 3.47Å; W956-E1682 VanDerWaalsContact CG-CB 3.47Å; W956-E1682 VanDerWaalsContact CG-CD 3.5Å; W956-E1682 HydrophobicContact CG-CG 3.28Å; W956-E1682 PolarHBondContact NE1-O 3.35Å; L963-E1682 WeakPolarHBondContact CD1-OE2 3.26Å; F968-E1682 WeakPolarHBondContact CZ-O 3.27Å; A1680-E1682 PolarHBondContact O-N 3.11Å; E1682-A1733 CarbonylContact C-O 3.56Å; E1682-A1733 VanDerWaalsContact CA-O 3.27Å; E1682-A1733 WeakPolarHBondContact CA-O 3.41Å; E1682-A1733 HydrophobicContact CB-CB 4.47Å; E1682-Y1734 VanDerWaalsContact CD-CA 3.46Å; E1682-Y1734 VanDerWaalsContact CG-CA 3.46Å; E1682-Y1734 HydrophobicContact CG-CD1 4.22Å; E1682-Y1734 HydrophobicContact CG-CG 4.11Å; E1682-Y1734 WeakPolarHBondContact OE1-CA 3.42Å; E1682-Y1734 WeakPolarHBondContact OE1-CB 3.42Å; E1682-A1735 WeakPolarHBondContact OE1-CB 3.29Å; E1682-A1735 PolarHBondContact OE1-N 3.01Å; E1682-A1735 VanDerWaalsContact OE1-N 3.1Å; E1682-I1760 HydrophobicContact CB-CG2 4.02Å; E1682-Q1761 PolarHBondContact N-O 3.31Å; E1682-K1762 VanDerWaalsContact OE2-CA 3.31Å; E1682-K1762 WeakPolarHBondContact OE2-CA 3.48Å; E1682-Q1763 PolarHBondContact OE2-N 2.81Å |
| 1683 | G | 75.5 | Confident | 86.5 | Confident | 27.6 Ų | 27.6 | 59 Ų | 59 | 29% | 0.285 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102.2 | -31.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | F968 E1681 Q1732 A1733 | F968-G1683 VanDerWaalsContact CB-C 3.48Å; F968-G1683 WeakPolarHBondContact CB-O 3.34Å; F968-G1683 VanDerWaalsContact CZ-CA 3.45Å; E1681-G1683 CarbonylContact O-C 3.55Å; E1681-G1683 VanDerWaalsContact O-C 3.27Å; E1681-G1683 PolarHBondContact O-N 3.08Å; G1683-Q1732 VanDerWaalsContact C-CG 3.44Å; G1683-Q1732 CarbonylContact O-C 3.52Å; G1683-Q1732 WeakPolarHBondContact O-CA 3.44Å; G1683-Q1732 VanDerWaalsContact O-CB 3.27Å; G1683-Q1732 WeakPolarHBondContact O-CB 3.2Å; G1683-Q1732 WeakPolarHBondContact O-CG 3.28Å; G1683-A1733 PolarHBondContact N-O 3.03Å; G1683-A1733 PolarHBondContact O-N 3.33Å |
| 1684 | L | 82.3 | Confident | 86.3 | Confident | 87.8 Ų | 87.8 | 58.3 Ų | 58.3 | 46% | 0.46 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -75.5 | 152.7 | -178.4 | -66.6 | -176.5 | 0 | 0 | 0 | 112.7 | F968 L970 E1681 V1686 A1733 | F968-L1684 HydrophobicContact CD1-CD2 4.28Å; L970-L1684 HydrophobicContact CD1-CD2 3.73Å; E1681-L1684 HydrophobicContact CB-CB 3.87Å; E1681-L1684 HydrophobicContact CB-CD1 3.92Å; E1681-L1684 HydrophobicContact CB-CG 4.09Å; E1681-L1684 HydrophobicContact CG-CD1 4.25Å; E1681-L1684 HydrophobicContact CG-CG 4.24Å; E1681-L1684 PolarHBondContact O-N 2.84Å; E1681-L1684 WeakPolarHBondContact OE2-CD1 3.38Å; L1684-V1686 PolarHBondContact O-N 2.86Å; L1684-A1733 WeakPolarHBondContact O-CB 3.31Å; L1684-A1733 PolarHBondContact O-N 3.38Å |
| 1685 | P | 87.8 | Confident | 85.8 | Confident | 78.8 Ų | 78.8 | 59.7 Ų | 59.7 | 51% | 0.512 | 32% | 0.318 | S | S | . | . | trans | -69.7 | 142 | 175.5 | 27.9 | -34.2 | 0 | 0 | 0 | 111.7 | L970 I1730 P1731 | L970-P1685 HydrophobicContact CD1-CG 4.05Å; P1685-I1730 CarbonylContact C-O 3.53Å; P1685-I1730 VanDerWaalsContact CA-O 3.24Å; P1685-I1730 WeakPolarHBondContact CA-O 3.28Å; P1685-P1731 WeakPolarHBondContact CA-O 3.47Å; P1685-P1731 WeakPolarHBondContact CB-O 3.29Å | ||
| 1686 | V | 90.1 | Very high | 84.9 | Confident | 7.4 Ų | 7.4 | 63.7 Ų | 63.7 | 5% | 0.045 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 128.6 | 174.3 | 169.9 | 0 | 0 | 0 | 0 | 109 | V1677 A1680 L1684 L1688 T1729 I1730 A1733 V1758 | V1677-V1686 HydrophobicContact CB-CG1 4.4Å; V1677-V1686 HydrophobicContact CG1-CG1 4.06Å; V1677-V1686 HydrophobicContact CG1-CG2 4.33Å; V1677-V1686 HydrophobicContact CG2-CG1 4.15Å; A1680-V1686 HydrophobicContact CB-CG2 3.61Å; L1684-V1686 PolarHBondContact O-N 2.86Å; V1686-L1688 HydrophobicContact CG1-CD2 4.11Å; V1686-L1688 HydrophobicContact CG1-CG 4.4Å; V1686-T1729 CarbonylContact O-C 3.58Å; V1686-T1729 WeakPolarHBondContact O-CA 3.34Å; V1686-I1730 HydrophobicContact CB-CB 4.26Å; V1686-I1730 HydrophobicContact CB-CD1 4.24Å; V1686-I1730 HydrophobicContact CB-CG1 4.19Å; V1686-I1730 HydrophobicContact CG1-CD1 4.21Å; V1686-I1730 HydrophobicContact CG1-CG1 4.15Å; V1686-I1730 PolarHBondContact N-O 2.95Å; V1686-I1730 PolarHBondContact O-N 2.99Å; V1686-A1733 HydrophobicContact CB-CB 4.46Å; V1686-A1733 HydrophobicContact CG2-CB 3.88Å; V1686-V1758 HydrophobicContact CG1-CG1 4.4Å |
| 1687 | V | 92.4 | Very high | 84.3 | Confident | 67.8 Ų | 67.8 | 60.8 Ų | 60.8 | 41% | 0.411 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.7 | 177.3 | -169.8 | 0 | 0 | 0 | 0 | 109.1 | E1689 T1729 | V1687-E1689 HydrophobicContact CB-CG 4.4Å; V1687-E1689 HydrophobicContact CG1-CG 3.66Å; V1687-E1689 VanDerWaalsContact CG1-CG 3.49Å; V1687-T1729 HydrophobicContact CG2-CG2 4.19Å |
| 1688 | L | 92.4 | Very high | 83.7 | Confident | 2.6 Ų | 2.6 | 66.2 Ų | 66.2 | 1% | 0.014 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.2 | 171.9 | -49 | -179.5 | 0 | 0 | 0 | 107.7 | L1674 V1677 V1686 W1704 S1727 L1728 Y1741 V1758 | L1674-L1688 HydrophobicContact CD2-CB 4.28Å; V1677-L1688 HydrophobicContact CB-CD2 4.22Å; V1677-L1688 HydrophobicContact CG2-CD2 3.62Å; V1677-L1688 VanDerWaalsContact CG2-CD2 3.48Å; V1686-L1688 HydrophobicContact CG1-CD2 4.11Å; V1686-L1688 HydrophobicContact CG1-CG 4.4Å; L1688-W1704 HydrophobicContact CB-CH2 4.06Å; L1688-W1704 HydrophobicContact CB-CZ3 4.2Å; L1688-W1704 HydrophobicContact CD1-CZ3 4.21Å; L1688-S1727 CarbonylContact O-C 3.55Å; L1688-S1727 WeakPolarHBondContact O-CA 3.35Å; L1688-S1727 VanDerWaalsContact O-CB 3.28Å; L1688-S1727 WeakPolarHBondContact O-CB 3.3Å; L1688-L1728 HydrophobicContact CB-CB 4.42Å; L1688-L1728 HydrophobicContact CD1-CB 4.42Å; L1688-L1728 HydrophobicContact CD1-CD2 4.05Å; L1688-L1728 HydrophobicContact CG-CD2 4.38Å; L1688-L1728 PolarHBondContact N-O 2.98Å; L1688-L1728 PolarHBondContact O-N 3.04Å; L1688-Y1741 HydrophobicContact CD1-CD1 3.88Å; L1688-Y1741 VanDerWaalsContact CD1-CD1 3.48Å; L1688-Y1741 HydrophobicContact CD1-CD2 4.13Å; L1688-Y1741 HydrophobicContact CD1-CE1 4.33Å; L1688-Y1741 HydrophobicContact CD1-CG 3.6Å; L1688-Y1741 VanDerWaalsContact CD1-CG 3.46Å; L1688-V1758 HydrophobicContact CD1-CG2 3.99Å; L1688-V1758 HydrophobicContact CD2-CG2 3.73Å; L1688-V1758 HydrophobicContact CG-CG2 4.37Å |
| 1689 | E | 92.9 | Very high | 83.4 | Confident | 98.8 Ų | 98.8 | 63.9 Ų | 63.9 | 46% | 0.462 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 143.9 | -174.6 | -54.9 | -173.2 | 128.4 | 0 | 0 | 111 | V1687 Y1725 C1726 | V1687-E1689 HydrophobicContact CB-CG 4.4Å; V1687-E1689 HydrophobicContact CG1-CG 3.66Å; V1687-E1689 VanDerWaalsContact CG1-CG 3.49Å; E1689-Y1725 HydrophobicContact CB-CE2 4.13Å; E1689-Y1725 HydrophobicContact CG-CE2 4.28Å; E1689-Y1725 WeakPolarHBondContact OE1-CE2 3.25Å; E1689-Y1725 PolarHBondContact OE1-OH 3.06Å; E1689-C1726 WeakPolarHBondContact CA-O 3.3Å |
| 1690 | A | 92 | Very high | 83.7 | Confident | 1.6 Ų | 1.6 | 61.3 Ų | 61.3 | 1% | 0.013 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 154.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1670 E1672 L1674 Y1725 C1726 L1743 | I1670-A1690 HydrophobicContact CG2-CB 4.34Å; E1672-A1690 CarbonylContact O-C 3.55Å; E1672-A1690 VanDerWaalsContact O-CA 3.25Å; E1672-A1690 WeakPolarHBondContact O-CA 3.31Å; E1672-A1690 VanDerWaalsContact O-CB 3.28Å; E1672-A1690 WeakPolarHBondContact O-CB 3.33Å; L1674-A1690 HydrophobicContact CD2-CB 3.73Å; L1674-A1690 HydrophobicContact CG-CB 4.32Å; A1690-Y1725 WeakPolarHBondContact O-CA 3.07Å; A1690-C1726 PolarHBondContact N-O 3.06Å; A1690-C1726 PolarHBondContact O-N 3.24Å; A1690-C1726 VanDerWaalsContact O-O 3.08Å; A1690-L1743 HydrophobicContact CB-CD2 3.68Å |
| 1691 | R | 92.3 | Very high | 84.1 | Confident | 115.8 Ų | 115.8 | 63.4 Ų | 63.4 | 44% | 0.437 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 148.4 | 170.8 | -63.7 | -171.6 | -168.1 | -117.5 | -7.4 | 111.8 | I1670 I1671 E1672 G1724 Y1725 | I1670-R1691 CarbonylContact C-O 3.51Å; I1670-R1691 WeakPolarHBondContact CA-O 3.4Å; I1671-R1691 HydrophobicContact CB-CB 4.25Å; I1671-R1691 HydrophobicContact CD1-CB 4.14Å; I1671-R1691 HydrophobicContact CG1-CB 4.45Å; I1671-R1691 PolarHBondContact N-O 3.08Å; E1672-R1691 HydrophobicContact CB-CB 3.93Å; E1672-R1691 HydrophobicContact CB-CG 4.15Å; E1672-R1691 VanDerWaalsContact CD-CD 3.48Å; E1672-R1691 VanDerWaalsContact CD-NE 3.29Å; E1672-R1691 HydrophobicContact CG-CB 4.22Å; E1672-R1691 HydrophobicContact CG-CG 4.3Å; E1672-R1691 PolarHBondContact N-O 3.13Å; E1672-R1691 PolarHBondContact O-N 2.81Å; E1672-R1691 WeakPolarHBondContact OE1-CD 3.31Å; E1672-R1691 IonicContact OE1-CZ 3.74Å; E1672-R1691 IonicContact OE1-NE 3.28Å; E1672-R1691 PolarHBondContact OE1-NE 3.1Å; E1672-R1691 IonicContact OE1-NH1 2.72Å; E1672-R1691 PolarHBondContact OE1-NH1 2.92Å; E1672-R1691 VanDerWaalsContact OE2-CD 3.27Å; E1672-R1691 WeakPolarHBondContact OE2-CD 3.39Å; E1672-R1691 VanDerWaalsContact OE2-CG 3.31Å; E1672-R1691 WeakPolarHBondContact OE2-CG 3.3Å; E1672-R1691 IonicContact OE2-CZ 2.98Å; E1672-R1691 IonicContact OE2-NE 3.13Å; E1672-R1691 PolarHBondContact OE2-NE 3.07Å; E1672-R1691 IonicContact OE2-NH1 2.71Å; E1672-R1691 IonicContact OE2-NH2 3.12Å; R1691-G1724 CarbonylContact C-O 3.56Å; R1691-G1724 WeakPolarHBondContact CA-O 3.35Å; R1691-G1724 WeakPolarHBondContact CB-O 3.41Å; R1691-Y1725 HydrophobicContact CG-CD2 4.39Å |
| 1692 | Y | 91.7 | Very high | 84.6 | Confident | 16 Ų | 16 | 60.9 Ų | 60.9 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 154.8 | -179.4 | 68.7 | -85.5 | 0 | 0 | 0 | 113.1 | S1669 P1694 I1700 C1721 L1723 G1724 Y1725 C1726 L1745 | S1669-Y1692 CarbonylContact O-C 3.53Å; S1669-Y1692 WeakPolarHBondContact O-CA 3.27Å; S1669-Y1692 WeakPolarHBondContact O-CB 3.29Å; Y1692-P1694 WeakPolarHBondContact CE2-O 3.49Å; Y1692-P1694 VanDerWaalsContact O-CD 3.26Å; Y1692-P1694 WeakPolarHBondContact O-CD 3.49Å; Y1692-I1700 HydrophobicContact CD2-CD1 3.85Å; Y1692-I1700 HydrophobicContact CD2-CG2 4.41Å; Y1692-I1700 HydrophobicContact CE2-CB 4.44Å; Y1692-I1700 HydrophobicContact CE2-CD1 3.71Å; Y1692-I1700 HydrophobicContact CE2-CG2 4.1Å; Y1692-C1721 WeakPolarHBondContact CE1-SG 3.35Å; Y1692-L1723 PolarHBondContact OH-N 3.31Å; Y1692-G1724 VanDerWaalsContact CD1-C 3.44Å; Y1692-G1724 VanDerWaalsContact CE1-C 3.4Å; Y1692-G1724 VanDerWaalsContact CE1-CA 3.45Å; Y1692-G1724 VanDerWaalsContact CZ-CA 3.44Å; Y1692-G1724 VanDerWaalsContact CZ-N 3.31Å; Y1692-G1724 PolarHBondContact N-O 3.15Å; Y1692-G1724 VanDerWaalsContact O-CA 3.28Å; Y1692-G1724 WeakPolarHBondContact O-CA 3.35Å; Y1692-G1724 PolarHBondContact OH-N 3.24Å; Y1692-G1724 VanDerWaalsContact OH-N 3.17Å; Y1692-Y1725 VanDerWaalsContact CE1-N 3.28Å; Y1692-C1726 VanDerWaalsContact CE1-SG 3.55Å; Y1692-L1745 VanDerWaalsContact CB-CD1 3.45Å; Y1692-L1745 HydrophobicContact CD1-CD1 4.03Å; Y1692-L1745 HydrophobicContact CD1-CD2 4.5Å; Y1692-L1745 HydrophobicContact CD2-CD1 4.3Å; Y1692-L1745 HydrophobicContact CG-CD1 3.65Å; Y1692-L1745 HydrophobicContact CG-CD2 4.41Å |
| 1693 | E | 85.7 | Confident | 85.2 | Confident | 92.4 Ų | 92.4 | 61.6 Ų | 61.6 | 43% | 0.432 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 136.8 | 172.4 | -115.8 | 176.4 | -157.4 | 0 | 0 | 109.7 | D842 F843 P1668 S1669 I1671 S1695 | D842-E1693 WeakPolarHBondContact CA-OE1 3.38Å; F843-E1693 HydrophobicContact CD2-CG 4.39Å; F843-E1693 HydrophobicContact CE1-CB 4.3Å; F843-E1693 HydrophobicContact CE1-CG 4.27Å; F843-E1693 HydrophobicContact CE2-CB 4.02Å; F843-E1693 HydrophobicContact CE2-CG 3.51Å; F843-E1693 HydrophobicContact CZ-CB 3.46Å; F843-E1693 VanDerWaalsContact CZ-CB 3.46Å; F843-E1693 HydrophobicContact CZ-CG 3.42Å; F843-E1693 VanDerWaalsContact CZ-CG 3.42Å; F843-E1693 PolarHBondContact N-OE1 2.77Å; P1668-E1693 CarbonylContact C-O 3.43Å; P1668-E1693 WeakPolarHBondContact CA-O 3.37Å; S1669-E1693 PolarHBondContact N-O 3.1Å; S1669-E1693 PolarHBondContact O-N 3.07Å; S1669-E1693 PolarHBondContact OG-O 3.17Å; I1671-E1693 HydrophobicContact CD1-CB 3.86Å; I1671-E1693 VanDerWaalsContact CD1-CD 3.46Å; I1671-E1693 HydrophobicContact CD1-CG 3.8Å; I1671-E1693 VanDerWaalsContact CD1-CG 3.4Å; I1671-E1693 HydrophobicContact CG1-CB 4.22Å; I1671-E1693 HydrophobicContact CG1-CG 4.17Å; E1693-S1695 PolarHBondContact O-N 3.1Å |
| 1694 | P | 82.4 | Confident | 86 | Confident | 42.4 Ų | 42.4 | 60.8 Ų | 60.8 | 28% | 0.275 | 32% | 0.316 | S | S | . | . | cis | -74.1 | 124 | 2.9 | 12.3 | -11 | 0 | 0 | 0 | 114.4 | F843 K1666 Y1692 R1696 D1697 I1700 | F843-P1694 HydrophobicContact CD2-CB 4.46Å; F843-P1694 HydrophobicContact CE1-CB 4.25Å; F843-P1694 HydrophobicContact CE1-CG 4.17Å; F843-P1694 HydrophobicContact CE2-CB 3.42Å; F843-P1694 VanDerWaalsContact CE2-CB 3.42Å; F843-P1694 HydrophobicContact CE2-CG 4.22Å; F843-P1694 HydrophobicContact CZ-CB 3.29Å; F843-P1694 HydrophobicContact CZ-CG 3.57Å; K1666-P1694 HydrophobicContact CB-CG 4.43Å; Y1692-P1694 WeakPolarHBondContact CE2-O 3.49Å; Y1692-P1694 VanDerWaalsContact O-CD 3.26Å; Y1692-P1694 WeakPolarHBondContact O-CD 3.49Å; P1694-R1696 VanDerWaalsContact C-N 3.31Å; P1694-R1696 PolarHBondContact O-N 3.07Å; P1694-D1697 HydrophobicContact CB-CB 4.14Å; P1694-D1697 HydrophobicContact CG-CB 3.78Å; P1694-D1697 PolarHBondContact O-N 3.1Å; P1694-I1700 HydrophobicContact CB-CD1 4.45Å; P1694-I1700 HydrophobicContact CG-CD1 4.29Å; P1694-I1700 VanDerWaalsContact O-CD1 3.27Å; P1694-I1700 WeakPolarHBondContact O-CD1 3.24Å | ||
| 1695 | S | 78.6 | Confident | 86.4 | Confident | 41.4 Ų | 41.4 | 57.6 Ų | 57.6 | 29% | 0.29 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -14.2 | 179.3 | 54.6 | 0 | 0 | 0 | 0 | 113.9 | D842 E1693 D1697 I1700 L1723 G1724 | D842-S1695 WeakPolarHBondContact CB-OG 3.43Å; D842-S1695 VanDerWaalsContact OD1-CB 3.24Å; D842-S1695 WeakPolarHBondContact OD1-CB 3.43Å; D842-S1695 PolarHBondContact OD1-OG 3.17Å; D842-S1695 PolarHBondContact OD2-OG 3Å; E1693-S1695 PolarHBondContact O-N 3.1Å; S1695-D1697 PolarHBondContact O-N 2.96Å; S1695-D1697 VanDerWaalsContact O-N 3.11Å; S1695-D1697 PolarHBondContact OG-O 3.26Å; S1695-I1700 WeakPolarHBondContact OG-CD1 3.45Å; S1695-L1723 CarbonylContact O-C 3.52Å; S1695-L1723 VanDerWaalsContact O-CA 3.3Å; S1695-L1723 WeakPolarHBondContact O-CA 3.38Å; S1695-G1724 PolarHBondContact O-N 2.87Å |
| 1696 | R | 71.2 | Confident | 86.6 | Confident | 209.6 Ų | 209.6 | 55.9 Ų | 55.9 | 79% | 0.791 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 12.5 | 177.4 | -62.7 | -175.5 | 177.6 | -174.2 | -2 | 113.9 | P1694 N1698 | P1694-R1696 VanDerWaalsContact C-N 3.31Å; P1694-R1696 PolarHBondContact O-N 3.07Å; R1696-N1698 PolarHBondContact O-N 3.19Å |
| 1697 | D | 76 | Confident | 86.5 | Confident | 31 Ų | 31 | 60.4 Ų | 60.4 | 17% | 0.166 | 31% | 0.307 | C | S | . | . | trans | -87.5 | 98.9 | 173.6 | -177.1 | 10.2 | 0 | 0 | 0 | 110.4 | P1694 S1695 A1699 I1700 N1747 | P1694-D1697 HydrophobicContact CB-CB 4.14Å; P1694-D1697 HydrophobicContact CG-CB 3.78Å; P1694-D1697 PolarHBondContact O-N 3.1Å; S1695-D1697 PolarHBondContact O-N 2.96Å; S1695-D1697 VanDerWaalsContact O-N 3.11Å; S1695-D1697 PolarHBondContact OG-O 3.26Å; D1697-A1699 PolarHBondContact O-N 2.99Å; D1697-A1699 VanDerWaalsContact O-N 3.09Å; D1697-A1699 VanDerWaalsContact OD1-CB 3.28Å; D1697-A1699 WeakPolarHBondContact OD1-CB 3.36Å; D1697-A1699 PolarHBondContact OD1-N 3.11Å; D1697-I1700 HydrophobicContact CB-CD1 3.91Å; D1697-I1700 HydrophobicContact CB-CG1 4.04Å; D1697-I1700 WeakPolarHBondContact O-CB 3.23Å; D1697-I1700 PolarHBondContact O-N 3.08Å; D1697-I1700 VanDerWaalsContact O-N 3.14Å; D1697-N1747 VanDerWaalsContact OD2-CB 3.27Å; D1697-N1747 WeakPolarHBondContact OD2-CB 3.23Å; D1697-N1747 PolarHBondContact OD2-ND2 2.9Å | ||
| 1698 | N | 75.7 | Confident | 86.1 | Confident | 145.2 Ų | 145.2 | 59.5 Ų | 59.5 | 78% | 0.776 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -8.8 | 178 | -62.7 | -4.9 | 0 | 0 | 0 | 113.3 | E1546 R1696 I1700 | E1546-N1698 HydrophobicContact CB-CB 3.96Å; E1546-N1698 HydrophobicContact CG-CB 3.83Å; E1546-N1698 VanDerWaalsContact OE1-CB 3.23Å; E1546-N1698 WeakPolarHBondContact OE1-CB 3.32Å; E1546-N1698 PolarHBondContact OE1-ND2 2.96Å; E1546-N1698 WeakPolarHBondContact OE2-CB 3.23Å; R1696-N1698 PolarHBondContact O-N 3.19Å; N1698-I1700 VanDerWaalsContact C-N 3.34Å; N1698-I1700 PolarHBondContact O-N 3.19Å |
| 1699 | A | 78 | Confident | 85.7 | Confident | 42.8 Ų | 42.8 | 66 Ų | 66 | 35% | 0.354 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 4.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D1697 V1701 N1747 | D1697-A1699 PolarHBondContact O-N 2.99Å; D1697-A1699 VanDerWaalsContact O-N 3.09Å; D1697-A1699 VanDerWaalsContact OD1-CB 3.28Å; D1697-A1699 WeakPolarHBondContact OD1-CB 3.36Å; D1697-A1699 PolarHBondContact OD1-N 3.11Å; A1699-V1701 PolarHBondContact O-N 2.84Å; A1699-N1747 HydrophobicContact CB-CB 4.44Å; A1699-N1747 WeakPolarHBondContact O-CA 3.29Å; A1699-N1747 WeakPolarHBondContact O-CB 3.44Å |
| 1700 | I | 84.5 | Confident | 85.4 | Confident | 25.8 Ų | 25.8 | 65.3 Ų | 65.3 | 13% | 0.132 | 35% | 0.346 | C | S | . | . | trans | -75.7 | 120.3 | 174.4 | -69.8 | 174.2 | 0 | 0 | 0 | 110.3 | P1668 Y1692 P1694 S1695 D1697 N1698 L1745 R1746 N1747 | P1668-I1700 HydrophobicContact CB-CD1 4.2Å; P1668-I1700 HydrophobicContact CB-CG1 4.47Å; P1668-I1700 HydrophobicContact CG-CD1 4.43Å; P1668-I1700 HydrophobicContact CG-CG1 4.26Å; Y1692-I1700 HydrophobicContact CD2-CD1 3.85Å; Y1692-I1700 HydrophobicContact CD2-CG2 4.41Å; Y1692-I1700 HydrophobicContact CE2-CB 4.44Å; Y1692-I1700 HydrophobicContact CE2-CD1 3.71Å; Y1692-I1700 HydrophobicContact CE2-CG2 4.1Å; P1694-I1700 HydrophobicContact CB-CD1 4.45Å; P1694-I1700 HydrophobicContact CG-CD1 4.29Å; P1694-I1700 VanDerWaalsContact O-CD1 3.27Å; P1694-I1700 WeakPolarHBondContact O-CD1 3.24Å; S1695-I1700 WeakPolarHBondContact OG-CD1 3.45Å; D1697-I1700 HydrophobicContact CB-CD1 3.91Å; D1697-I1700 HydrophobicContact CB-CG1 4.04Å; D1697-I1700 WeakPolarHBondContact O-CB 3.23Å; D1697-I1700 PolarHBondContact O-N 3.08Å; D1697-I1700 VanDerWaalsContact O-N 3.14Å; N1698-I1700 VanDerWaalsContact C-N 3.34Å; N1698-I1700 PolarHBondContact O-N 3.19Å; I1700-L1745 HydrophobicContact CG2-CB 4.35Å; I1700-L1745 HydrophobicContact CG2-CD2 3.93Å; I1700-R1746 CarbonylContact C-O 3.42Å; I1700-R1746 VanDerWaalsContact CA-O 3.3Å; I1700-R1746 WeakPolarHBondContact CA-O 3.36Å; I1700-N1747 HydrophobicContact CG1-CB 3.99Å | ||
| 1701 | V | 86.9 | Confident | 85 | Confident | 59.6 Ų | 59.6 | 66.4 Ų | 66.4 | 36% | 0.361 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 127.3 | 171.7 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | E1547 A1699 L1745 R1746 | E1547-V1701 VanDerWaalsContact OE2-CG2 3.27Å; E1547-V1701 WeakPolarHBondContact OE2-CG2 3.45Å; A1699-V1701 PolarHBondContact O-N 2.84Å; V1701-L1745 WeakPolarHBondContact O-CA 3.3Å; V1701-R1746 HydrophobicContact CB-CG 3.92Å; V1701-R1746 HydrophobicContact CG2-CG 4.47Å; V1701-R1746 PolarHBondContact N-O 2.9Å; V1701-R1746 PolarHBondContact O-N 3.09Å |
| 1702 | A | 89.8 | Confident | 84.3 | Confident | 37.2 Ų | 37.2 | 67.2 Ų | 67.2 | 31% | 0.307 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 133.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | C1721 L1743 K1744 L1745 | A1702-C1721 HydrophobicContact CB-CB 3.71Å; A1702-L1743 HydrophobicContact CB-CD1 4.16Å; A1702-K1744 CarbonylContact C-O 3.54Å; A1702-K1744 WeakPolarHBondContact CA-O 3.27Å; A1702-L1745 HydrophobicContact CB-CD2 3.72Å |
| 1703 | E | 90.6 | Very high | 83.5 | Confident | 61.6 Ų | 61.6 | 69.3 Ų | 69.3 | 29% | 0.288 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 123.1 | 177.1 | 178.8 | -178.2 | 165.7 | 0 | 0 | 109.3 | L1705 K1744 R1746 | E1703-L1705 HydrophobicContact CG-CD1 4.15Å; E1703-L1705 HydrophobicContact CG-CG 4.43Å; E1703-K1744 HydrophobicContact CB-CB 4.25Å; E1703-K1744 PolarHBondContact N-O 2.9Å; E1703-K1744 WeakPolarHBondContact O-CB 3.34Å; E1703-K1744 PolarHBondContact O-N 3.09Å; E1703-R1746 IonicContact OE2-CZ 2.82Å; E1703-R1746 IonicContact OE2-NH1 3.06Å; E1703-R1746 PolarHBondContact OE2-NH1 2.95Å; E1703-R1746 VanDerWaalsContact OE2-NH1 3.16Å |
| 1704 | W | 92.2 | Very high | 83.1 | Confident | 12.2 Ų | 12.2 | 67.4 Ų | 67.4 | 5% | 0.046 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 133.1 | 175.7 | -72.9 | 92.9 | 0 | 0 | 0 | 110.4 | L1674 L1688 P1710 V1711 T1719 C1726 S1727 L1728 Y1741 T1742 L1743 | L1674-W1704 HydrophobicContact CD1-CE3 4.48Å; L1674-W1704 HydrophobicContact CD1-CH2 4.26Å; L1674-W1704 HydrophobicContact CD1-CZ3 3.76Å; L1674-W1704 HydrophobicContact CD2-CH2 3.43Å; L1674-W1704 VanDerWaalsContact CD2-CH2 3.45Å; L1674-W1704 HydrophobicContact CD2-CZ2 4.42Å; L1674-W1704 HydrophobicContact CD2-CZ3 3.78Å; L1674-W1704 HydrophobicContact CG-CH2 4.46Å; L1674-W1704 HydrophobicContact CG-CZ3 4.41Å; L1688-W1704 HydrophobicContact CB-CH2 4.06Å; L1688-W1704 HydrophobicContact CB-CZ3 4.2Å; L1688-W1704 HydrophobicContact CD1-CZ3 4.21Å; W1704-P1710 CarbonylContact O-C 3.54Å; W1704-P1710 WeakPolarHBondContact O-CA 3.29Å; W1704-V1711 HydrophobicContact CB-CB 4.17Å; W1704-V1711 HydrophobicContact CB-CG2 4.39Å; W1704-V1711 PolarHBondContact O-N 3.06Å; W1704-T1719 HydrophobicContact CG-CG2 4.12Å; W1704-C1726 HydrophobicContact CZ2-CB 4.29Å; W1704-S1727 VanDerWaalsContact CZ2-C 3.45Å; W1704-L1728 HydrophobicContact CB-CD1 3.96Å; W1704-L1728 HydrophobicContact CD2-CB 3.84Å; W1704-L1728 HydrophobicContact CD2-CD1 3.64Å; W1704-L1728 HydrophobicContact CD2-CG 4.39Å; W1704-L1728 HydrophobicContact CE3-CB 3.9Å; W1704-L1728 HydrophobicContact CE3-CD1 3.62Å; W1704-L1728 HydrophobicContact CE3-CG 4.41Å; W1704-L1728 HydrophobicContact CG-CB 4.48Å; W1704-L1728 HydrophobicContact CG-CD1 3.81Å; W1704-L1728 HydrophobicContact CH2-CB 3.64Å; W1704-L1728 HydrophobicContact CZ2-CB 3.64Å; W1704-L1728 HydrophobicContact CZ3-CB 3.79Å; W1704-L1728 HydrophobicContact CZ3-CD1 4.25Å; W1704-Y1741 HydrophobicContact CE3-CD1 4.47Å; W1704-T1742 CarbonylContact C-O 3.53Å; W1704-T1742 WeakPolarHBondContact CA-O 3.35Å; W1704-L1743 HydrophobicContact CD2-CB 4.39Å; W1704-L1743 HydrophobicContact CD2-CD1 4.23Å; W1704-L1743 HydrophobicContact CE3-CB 4.16Å; W1704-L1743 HydrophobicContact CH2-CB 4.23Å; W1704-L1743 HydrophobicContact CH2-CD2 4.49Å; W1704-L1743 HydrophobicContact CZ2-CB 4.36Å; W1704-L1743 HydrophobicContact CZ2-CD1 4.15Å; W1704-L1743 HydrophobicContact CZ2-CD2 4.39Å; W1704-L1743 HydrophobicContact CZ2-CG 4.38Å; W1704-L1743 HydrophobicContact CZ3-CB 4.09Å |
| 1705 | L | 92 | Very high | 82.5 | Confident | 20.4 Ų | 20.4 | 72.3 Ų | 72.3 | 11% | 0.107 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 139.3 | 174.9 | -55.1 | 121.6 | 0 | 0 | 0 | 110.4 | E1703 Q1709 P1710 Y1741 T1742 K1744 | E1703-L1705 HydrophobicContact CG-CD1 4.15Å; E1703-L1705 HydrophobicContact CG-CG 4.43Å; L1705-Q1709 CarbonylContact C-O 3.58Å; L1705-Q1709 WeakPolarHBondContact CA-O 3.32Å; L1705-Q1709 WeakPolarHBondContact CB-O 3.41Å; L1705-P1710 HydrophobicContact CD2-CB 4.41Å; L1705-Y1741 CarbonylContact O-C 3.48Å; L1705-Y1741 VanDerWaalsContact O-CA 3.25Å; L1705-Y1741 WeakPolarHBondContact O-CA 3.36Å; L1705-T1742 HydrophobicContact CD1-CG2 4.32Å; L1705-T1742 PolarHBondContact N-O 2.97Å; L1705-T1742 PolarHBondContact O-N 3.03Å; L1705-K1744 HydrophobicContact CD1-CB 4.16Å; L1705-K1744 HydrophobicContact CD1-CD 3.84Å; L1705-K1744 HydrophobicContact CD1-CG 3.96Å |
| 1706 | K | 90.7 | Very high | 82.4 | Confident | 42.8 Ų | 42.8 | 74.3 Ų | 74.3 | 19% | 0.186 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 117.7 | 170.8 | 179 | -171.6 | -179.4 | -171.9 | 0 | 108.1 | G1708 Q1709 V1711 D1736 H1737 V1740 Y1741 | K1706-G1708 PolarHBondContact O-N 3.02Å; K1706-G1708 VanDerWaalsContact O-N 3.13Å; K1706-Q1709 PolarHBondContact N-O 3.12Å; K1706-Q1709 PolarHBondContact O-N 2.93Å; K1706-V1711 HydrophobicContact CB-CG2 3.51Å; K1706-V1711 VanDerWaalsContact CB-CG2 3.45Å; K1706-D1736 VanDerWaalsContact CE-O 3.27Å; K1706-D1736 WeakPolarHBondContact CE-O 3.26Å; K1706-D1736 PolarHBondContact NZ-O 3.01Å; K1706-D1736 IonicContact NZ-OD2 2.88Å; K1706-D1736 PolarHBondContact NZ-OD2 2.89Å; K1706-H1737 PolarHBondContact NZ-CD2 3.08Å; K1706-V1740 CarbonylContact C-O 3.51Å; K1706-V1740 WeakPolarHBondContact CA-O 3.45Å; K1706-Y1741 HydrophobicContact CB-CD1 4.28Å; K1706-Y1741 HydrophobicContact CB-CE1 4.06Å; K1706-Y1741 HydrophobicContact CB-CE2 4.35Å; K1706-Y1741 HydrophobicContact CD-CE1 4.17Å; K1706-Y1741 HydrophobicContact CD-CE2 4.4Å; K1706-Y1741 WeakPolarHBondContact CD-OH 3.27Å; K1706-Y1741 VanDerWaalsContact CE-OH 3.32Å; K1706-Y1741 WeakPolarHBondContact CE-OH 3.12Å; K1706-Y1741 HydrophobicContact CG-CD1 4.42Å; K1706-Y1741 HydrophobicContact CG-CE1 4.12Å; K1706-Y1741 HydrophobicContact CG-CE2 4.08Å |
| 1707 | N | 88.4 | Confident | 83.1 | Confident | 101.2 Ų | 101.2 | 65.2 Ų | 65.2 | 54% | 0.541 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 33.7 | -174 | -56.9 | -43.7 | 0 | 0 | 0 | 113.2 | Q1709 G1739 V1740 | N1707-Q1709 VanDerWaalsContact C-N 3.33Å; N1707-Q1709 PolarHBondContact O-N 2.77Å; N1707-G1739 VanDerWaalsContact OD1-CA 3.26Å; N1707-G1739 WeakPolarHBondContact OD1-CA 3.45Å; N1707-V1740 PolarHBondContact N-O 2.88Å; N1707-V1740 PolarHBondContact OD1-N 3.02Å |
| 1708 | G | 83.3 | Confident | 83.5 | Confident | 49.8 Ų | 49.8 | 69.8 Ų | 69.8 | 51% | 0.513 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 7.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | K1706 | K1706-G1708 PolarHBondContact O-N 3.02Å; K1706-G1708 VanDerWaalsContact O-N 3.13Å |
| 1709 | Q | 84.5 | Confident | 84.2 | Confident | 139 Ų | 139 | 65.5 Ų | 65.5 | 65% | 0.65 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 140.3 | 170 | -64.7 | -76.3 | -53.8 | 0 | 0 | 110.4 | L1705 K1706 N1707 V1711 | L1705-Q1709 CarbonylContact C-O 3.58Å; L1705-Q1709 WeakPolarHBondContact CA-O 3.32Å; L1705-Q1709 WeakPolarHBondContact CB-O 3.41Å; K1706-Q1709 PolarHBondContact N-O 3.12Å; K1706-Q1709 PolarHBondContact O-N 2.93Å; N1707-Q1709 VanDerWaalsContact C-N 3.33Å; N1707-Q1709 PolarHBondContact O-N 2.77Å; Q1709-V1711 PolarHBondContact O-N 3.43Å |
| 1710 | P | 86.2 | Confident | 84.7 | Confident | 83.2 Ų | 83.2 | 68 Ų | 68 | 54% | 0.54 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 138.5 | 179.9 | 26.2 | -34.2 | 0 | 0 | 0 | 111.6 | W1704 L1705 | W1704-P1710 CarbonylContact O-C 3.54Å; W1704-P1710 WeakPolarHBondContact O-CA 3.29Å; L1705-P1710 HydrophobicContact CD2-CB 4.41Å |
| 1711 | V | 83.4 | Confident | 84.9 | Confident | 25.4 Ų | 25.4 | 68.5 Ų | 68.5 | 15% | 0.154 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 116.6 | 176.6 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | W1704 K1706 Q1709 L1717 L1728 Y1741 | W1704-V1711 HydrophobicContact CB-CB 4.17Å; W1704-V1711 HydrophobicContact CB-CG2 4.39Å; W1704-V1711 PolarHBondContact O-N 3.06Å; K1706-V1711 HydrophobicContact CB-CG2 3.51Å; K1706-V1711 VanDerWaalsContact CB-CG2 3.45Å; Q1709-V1711 PolarHBondContact O-N 3.43Å; V1711-L1717 HydrophobicContact CG1-CB 4.28Å; V1711-L1717 HydrophobicContact CG1-CD1 3.96Å; V1711-L1717 HydrophobicContact CG1-CD2 4.28Å; V1711-L1717 HydrophobicContact CG1-CG 4.41Å; V1711-L1728 HydrophobicContact CG1-CD1 4.27Å; V1711-Y1741 HydrophobicContact CG2-CE1 4.42Å |
| 1712 | L | 78 | Confident | 84.7 | Confident | 132.2 Ų | 132.2 | 71 Ų | 71 | 69% | 0.692 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -75.9 | 135.7 | 169.4 | -78.6 | 150.3 | 0 | 0 | 0 | 109.9 | S1714 P1785 P1973 | L1712-S1714 PolarHBondContact O-N 3.01Å; L1712-P1785 HydrophobicContact CD1-CG 4.32Å; L1712-P1973 HydrophobicContact CD1-CG 4.42Å; L1712-P1973 HydrophobicContact CD2-CB 3.98Å; L1712-P1973 HydrophobicContact CD2-CG 4.17Å |
| 1713 | A | 76.2 | Confident | 84.4 | Confident | 60.6 Ų | 60.6 | 76.2 Ų | 76.2 | 50% | 0.501 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 137.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L1717 E1975 | A1713-L1717 CarbonylContact C-O 3.51Å; A1713-L1717 WeakPolarHBondContact CA-O 3.28Å; A1713-E1975 WeakPolarHBondContact CA-OE1 3.29Å; A1713-E1975 WeakPolarHBondContact CB-OE1 3.14Å; A1713-E1975 WeakPolarHBondContact CB-OE2 3.09Å; A1713-E1975 PolarHBondContact N-OE1 3.48Å |
| 1714 | S | 76.4 | Confident | 84.1 | Confident | 51.2 Ų | 51.2 | 73.6 Ų | 73.6 | 36% | 0.358 | 40% | 0.401 | S | S | . | . | B | Isolated β-bridge | trans | -158.5 | 174.4 | -178.9 | 63.3 | 0 | 0 | 0 | 0 | 110.3 | L1712 L1716 L1717 K1718 | L1712-S1714 PolarHBondContact O-N 3.01Å; S1714-L1716 PolarHBondContact O-N 2.96Å; S1714-L1716 VanDerWaalsContact O-N 3.12Å; S1714-L1716 PolarHBondContact OG-N 2.93Å; S1714-L1717 PolarHBondContact N-O 2.99Å; S1714-L1717 CarbonylContact O-C 3.52Å; S1714-L1717 VanDerWaalsContact O-C 3.27Å; S1714-L1717 WeakPolarHBondContact O-CA 3.26Å; S1714-L1717 PolarHBondContact O-N 2.98Å; S1714-L1717 VanDerWaalsContact O-N 3.15Å; S1714-L1717 VanDerWaalsContact O-O 3.09Å; S1714-L1717 PolarHBondContact OG-N 2.97Å; S1714-L1717 VanDerWaalsContact OG-N 3.12Å; S1714-K1718 PolarHBondContact O-N 3.41Å |
| 1715 | Q | 69.7 | Low | 84.1 | Confident | 145.2 Ų | 145.2 | 75.9 Ų | 75.9 | 68% | 0.679 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -18.4 | 173.5 | -58.3 | -177.9 | -1.8 | 0 | 0 | 113 | E2347 | Q1715-E2347 PolarHBondContact NE2-OE1 2.96Å; Q1715-E2347 PolarHBondContact NE2-OE2 2.89Å; Q1715-E2347 PolarHBondContact OE1-OE2 3.28Å |
| 1716 | L | 76.9 | Confident | 84 | Confident | 85 Ų | 85 | 75 Ų | 75 | 45% | 0.445 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -25.4 | 174.8 | -62.2 | 174.8 | 0 | 0 | 0 | 112.9 | Q965 S1714 I1730 P1731 Y1734 | Q965-L1716 WeakPolarHBondContact O-CB 3.33Å; Q965-L1716 WeakPolarHBondContact O-CD2 3.47Å; Q965-L1716 WeakPolarHBondContact O-CG 3.1Å; S1714-L1716 PolarHBondContact O-N 2.96Å; S1714-L1716 VanDerWaalsContact O-N 3.12Å; S1714-L1716 PolarHBondContact OG-N 2.93Å; L1716-I1730 WeakPolarHBondContact O-CG2 3.37Å; L1716-P1731 VanDerWaalsContact O-CD 3.3Å; L1716-P1731 WeakPolarHBondContact O-CD 3.38Å; L1716-Y1734 HydrophobicContact CD2-CE2 4.3Å |
| 1717 | L | 84.9 | Confident | 84.1 | Confident | 18.6 Ų | 18.6 | 73.4 Ų | 73.4 | 10% | 0.097 | 40% | 0.4 | C | S | . | . | B | Isolated β-bridge | trans | -142.6 | 94.8 | -172.4 | -80.1 | 153 | 0 | 0 | 0 | 108.9 | V1711 A1713 S1714 T1719 L1728 T1729 I1730 H1737 Y1741 | V1711-L1717 HydrophobicContact CG1-CB 4.28Å; V1711-L1717 HydrophobicContact CG1-CD1 3.96Å; V1711-L1717 HydrophobicContact CG1-CD2 4.28Å; V1711-L1717 HydrophobicContact CG1-CG 4.41Å; A1713-L1717 CarbonylContact C-O 3.51Å; A1713-L1717 WeakPolarHBondContact CA-O 3.28Å; S1714-L1717 PolarHBondContact N-O 2.99Å; S1714-L1717 CarbonylContact O-C 3.52Å; S1714-L1717 VanDerWaalsContact O-C 3.27Å; S1714-L1717 WeakPolarHBondContact O-CA 3.26Å; S1714-L1717 PolarHBondContact O-N 2.98Å; S1714-L1717 VanDerWaalsContact O-N 3.15Å; S1714-L1717 VanDerWaalsContact O-O 3.09Å; S1714-L1717 PolarHBondContact OG-N 2.97Å; S1714-L1717 VanDerWaalsContact OG-N 3.12Å; L1717-T1719 PolarHBondContact O-N 2.94Å; L1717-L1728 HydrophobicContact CD2-CD1 4.26Å; L1717-L1728 HydrophobicContact CD2-CD2 3.73Å; L1717-L1728 HydrophobicContact CD2-CG 4.23Å; L1717-T1729 CarbonylContact C-O 3.47Å; L1717-T1729 WeakPolarHBondContact CA-O 3.47Å; L1717-I1730 HydrophobicContact CD2-CB 4.46Å; L1717-I1730 HydrophobicContact CD2-CD1 4.24Å; L1717-I1730 HydrophobicContact CD2-CG1 3.71Å; L1717-I1730 HydrophobicContact CD2-CG2 4.21Å; L1717-I1730 HydrophobicContact CG-CG1 4.29Å; L1717-I1730 HydrophobicContact CG-CG2 4.38Å; L1717-H1737 VanDerWaalsContact CG-CE1 3.48Å; L1717-H1737 WeakPolarHBondContact CG-CE1 3.46Å; L1717-Y1741 HydrophobicContact CD2-CE1 4.33Å |
| 1718 | K | 85.7 | Confident | 84.3 | Confident | 125.8 Ų | 125.8 | 68.6 Ų | 68.6 | 55% | 0.547 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 127.4 | 179 | -62.6 | -174.1 | 177.8 | -172.6 | 0 | 109.6 | S1714 L1728 T1729 P1731 | S1714-K1718 PolarHBondContact O-N 3.41Å; K1718-L1728 CarbonylContact O-C 3.5Å; K1718-L1728 WeakPolarHBondContact O-CA 3.39Å; K1718-T1729 PolarHBondContact N-O 2.94Å; K1718-T1729 PolarHBondContact O-N 3.03Å; K1718-P1731 HydrophobicContact CD-CG 4.26Å; K1718-P1731 HydrophobicContact CG-CG 4.1Å |
| 1719 | T | 89.3 | Confident | 84.7 | Confident | 56 Ų | 56 | 68.1 Ų | 68.1 | 34% | 0.344 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 143.6 | 176.6 | 54.2 | 0 | 0 | 0 | 0 | 110.6 | W1704 L1717 S1727 L1728 | W1704-T1719 HydrophobicContact CG-CG2 4.12Å; L1717-T1719 PolarHBondContact O-N 2.94Å; T1719-S1727 CarbonylContact C-O 3.53Å; T1719-S1727 WeakPolarHBondContact CA-O 3.36Å; T1719-L1728 HydrophobicContact CG2-CB 4.29Å; T1719-L1728 HydrophobicContact CG2-CD1 4.01Å; T1719-L1728 HydrophobicContact CG2-CG 4.05Å |
| 1720 | F | 89.8 | Confident | 85 | Confident | 95.4 Ų | 95.4 | 61.4 Ų | 61.4 | 42% | 0.418 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 140.4 | 175.7 | -179.9 | -99.4 | 0 | 0 | 0 | 108.5 | E1722 Y1725 C1726 S1727 | F1720-E1722 HydrophobicContact CE1-CB 4.21Å; F1720-E1722 HydrophobicContact CE1-CG 4.46Å; F1720-E1722 HydrophobicContact CE2-CB 4.44Å; F1720-E1722 HydrophobicContact CE2-CG 4.13Å; F1720-E1722 HydrophobicContact CZ-CB 3.85Å; F1720-E1722 HydrophobicContact CZ-CG 4Å; F1720-Y1725 AromaticContact CD1-CD1 3.76Å; F1720-Y1725 HydrophobicContact CD1-CD1 3.76Å; F1720-Y1725 AromaticContact CD1-CE1 3.83Å; F1720-Y1725 HydrophobicContact CD1-CE1 3.83Å; F1720-Y1725 AromaticContact CE1-CD1 3.86Å; F1720-Y1725 HydrophobicContact CE1-CD1 3.86Å; F1720-Y1725 HydrophobicContact CE1-CE1 4.25Å; F1720-C1726 CarbonylContact O-C 3.53Å; F1720-C1726 VanDerWaalsContact O-CA 3.27Å; F1720-C1726 WeakPolarHBondContact O-CA 3.35Å; F1720-C1726 WeakPolarHBondContact O-CB 3.43Å; F1720-S1727 PolarHBondContact N-O 3.24Å; F1720-S1727 PolarHBondContact O-N 3.01Å; F1720-S1727 VanDerWaalsContact O-O 3.09Å |
| 1721 | C | 87.1 | Confident | 85 | Confident | 36 Ų | 36 | 59.5 Ų | 59.5 | 24% | 0.243 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 106.7 | 167.3 | -169.3 | 0 | 0 | 0 | 0 | 113.1 | Y1692 A1702 Y1725 C1726 | Y1692-C1721 WeakPolarHBondContact CE1-SG 3.35Å; A1702-C1721 HydrophobicContact CB-CB 3.71Å; C1721-Y1725 CarbonylContact C-O 3.54Å; C1721-Y1725 VanDerWaalsContact CA-O 3.28Å; C1721-Y1725 WeakPolarHBondContact CA-O 3.36Å; C1721-Y1725 PolarHBondContact SG-O 3.2Å; C1721-Y1725 VanDerWaalsContact SG-O 3.38Å; C1721-C1726 HydrophobicContact CB-CB 3.55Å; C1721-C1726 VanDerWaalsContact CB-CB 3.48Å; C1721-C1726 WeakPolarHBondContact CB-SG 3.37Å; C1721-C1726 WeakPolarHBondContact SG-CB 3.33Å; C1721-C1726 CovalentContact SG-SG 2.04Å; C1721-C1726 PolarHBondContact SG-SG 2.96Å |
| 1722 | E | 83.8 | Confident | 85.1 | Confident | 112.4 Ų | 112.4 | 62.1 Ų | 62.1 | 53% | 0.525 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 158.2 | -179.3 | -63.1 | -173.8 | 166.3 | 0 | 0 | 110.7 | F1720 G1724 Y1725 | F1720-E1722 HydrophobicContact CE1-CB 4.21Å; F1720-E1722 HydrophobicContact CE1-CG 4.46Å; F1720-E1722 HydrophobicContact CE2-CB 4.44Å; F1720-E1722 HydrophobicContact CE2-CG 4.13Å; F1720-E1722 HydrophobicContact CZ-CB 3.85Å; F1720-E1722 HydrophobicContact CZ-CG 4Å; E1722-G1724 PolarHBondContact O-N 3.19Å; E1722-G1724 VanDerWaalsContact O-N 3.08Å; E1722-Y1725 PolarHBondContact N-O 2.93Å; E1722-Y1725 PolarHBondContact O-N 3.19Å; E1722-Y1725 VanDerWaalsContact O-O 3.04Å |
| 1723 | L | 83 | Confident | 85.4 | Confident | 146.8 Ų | 146.8 | 55.8 Ų | 55.8 | 77% | 0.769 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 31.5 | 168.5 | -61.4 | 174.5 | 0 | 0 | 0 | 115.9 | Y1692 S1695 | Y1692-L1723 PolarHBondContact OH-N 3.31Å; S1695-L1723 CarbonylContact O-C 3.52Å; S1695-L1723 VanDerWaalsContact O-CA 3.3Å; S1695-L1723 WeakPolarHBondContact O-CA 3.38Å |
| 1724 | G | 85.1 | Confident | 85.8 | Confident | 6.6 Ų | 6.6 | 57.1 Ų | 57.1 | 7% | 0.068 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 10.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | R1691 Y1692 S1695 E1722 | R1691-G1724 CarbonylContact C-O 3.56Å; R1691-G1724 WeakPolarHBondContact CA-O 3.35Å; R1691-G1724 WeakPolarHBondContact CB-O 3.41Å; Y1692-G1724 VanDerWaalsContact CD1-C 3.44Å; Y1692-G1724 VanDerWaalsContact CE1-C 3.4Å; Y1692-G1724 VanDerWaalsContact CE1-CA 3.45Å; Y1692-G1724 VanDerWaalsContact CZ-CA 3.44Å; Y1692-G1724 VanDerWaalsContact CZ-N 3.31Å; Y1692-G1724 PolarHBondContact N-O 3.15Å; Y1692-G1724 VanDerWaalsContact O-CA 3.28Å; Y1692-G1724 WeakPolarHBondContact O-CA 3.35Å; Y1692-G1724 PolarHBondContact OH-N 3.24Å; Y1692-G1724 VanDerWaalsContact OH-N 3.17Å; S1695-G1724 PolarHBondContact O-N 2.87Å; E1722-G1724 PolarHBondContact O-N 3.19Å; E1722-G1724 VanDerWaalsContact O-N 3.08Å |
| 1725 | Y | 91 | Very high | 86 | Confident | 61.2 Ų | 61.2 | 55.6 Ų | 55.6 | 24% | 0.24 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 133.1 | 175.4 | 168.8 | -89.9 | 0 | 0 | 0 | 110.4 | E1689 A1690 R1691 Y1692 F1720 C1721 E1722 S1727 | E1689-Y1725 HydrophobicContact CB-CE2 4.13Å; E1689-Y1725 HydrophobicContact CG-CE2 4.28Å; E1689-Y1725 WeakPolarHBondContact OE1-CE2 3.25Å; E1689-Y1725 PolarHBondContact OE1-OH 3.06Å; A1690-Y1725 WeakPolarHBondContact O-CA 3.07Å; R1691-Y1725 HydrophobicContact CG-CD2 4.39Å; Y1692-Y1725 VanDerWaalsContact CE1-N 3.28Å; F1720-Y1725 AromaticContact CD1-CD1 3.76Å; F1720-Y1725 HydrophobicContact CD1-CD1 3.76Å; F1720-Y1725 AromaticContact CD1-CE1 3.83Å; F1720-Y1725 HydrophobicContact CD1-CE1 3.83Å; F1720-Y1725 AromaticContact CE1-CD1 3.86Å; F1720-Y1725 HydrophobicContact CE1-CD1 3.86Å; F1720-Y1725 HydrophobicContact CE1-CE1 4.25Å; C1721-Y1725 CarbonylContact C-O 3.54Å; C1721-Y1725 VanDerWaalsContact CA-O 3.28Å; C1721-Y1725 WeakPolarHBondContact CA-O 3.36Å; C1721-Y1725 PolarHBondContact SG-O 3.2Å; C1721-Y1725 VanDerWaalsContact SG-O 3.38Å; E1722-Y1725 PolarHBondContact N-O 2.93Å; E1722-Y1725 PolarHBondContact O-N 3.19Å; E1722-Y1725 VanDerWaalsContact O-O 3.04Å; Y1725-S1727 WeakPolarHBondContact CE1-OG 3.38Å; Y1725-S1727 VanDerWaalsContact OH-CB 3.3Å; Y1725-S1727 WeakPolarHBondContact OH-CB 3.41Å; Y1725-S1727 PolarHBondContact OH-OG 2.88Å |
| 1726 | C | 90.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 146.2 | 166.5 | -49.2 | 0 | 0 | 0 | 0 | 110.9 | E1689 A1690 Y1692 W1704 F1720 C1721 L1743 | E1689-C1726 WeakPolarHBondContact CA-O 3.3Å; A1690-C1726 PolarHBondContact N-O 3.06Å; A1690-C1726 PolarHBondContact O-N 3.24Å; A1690-C1726 VanDerWaalsContact O-O 3.08Å; Y1692-C1726 VanDerWaalsContact CE1-SG 3.55Å; W1704-C1726 HydrophobicContact CZ2-CB 4.29Å; F1720-C1726 CarbonylContact O-C 3.53Å; F1720-C1726 VanDerWaalsContact O-CA 3.27Å; F1720-C1726 WeakPolarHBondContact O-CA 3.35Å; F1720-C1726 WeakPolarHBondContact O-CB 3.43Å; C1721-C1726 HydrophobicContact CB-CB 3.55Å; C1721-C1726 VanDerWaalsContact CB-CB 3.48Å; C1721-C1726 WeakPolarHBondContact CB-SG 3.37Å; C1721-C1726 WeakPolarHBondContact SG-CB 3.33Å; C1721-C1726 CovalentContact SG-SG 2.04Å; C1721-C1726 PolarHBondContact SG-SG 2.96Å; C1726-L1743 HydrophobicContact CB-CD1 4.3Å; C1726-L1743 HydrophobicContact CB-CD2 3.88Å |
| 1727 | S | 93 | Very high | 87.3 | Confident | 10.4 Ų | 10.4 | 49.5 Ų | 49.5 | 7% | 0.073 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 156.3 | 168.2 | 64.4 | 0 | 0 | 0 | 0 | 114.2 | L1688 W1704 T1719 F1720 Y1725 | L1688-S1727 CarbonylContact O-C 3.55Å; L1688-S1727 WeakPolarHBondContact O-CA 3.35Å; L1688-S1727 VanDerWaalsContact O-CB 3.28Å; L1688-S1727 WeakPolarHBondContact O-CB 3.3Å; W1704-S1727 VanDerWaalsContact CZ2-C 3.45Å; T1719-S1727 CarbonylContact C-O 3.53Å; T1719-S1727 WeakPolarHBondContact CA-O 3.36Å; F1720-S1727 PolarHBondContact N-O 3.24Å; F1720-S1727 PolarHBondContact O-N 3.01Å; F1720-S1727 VanDerWaalsContact O-O 3.09Å; Y1725-S1727 WeakPolarHBondContact CE1-OG 3.38Å; Y1725-S1727 VanDerWaalsContact OH-CB 3.3Å; Y1725-S1727 WeakPolarHBondContact OH-CB 3.41Å; Y1725-S1727 PolarHBondContact OH-OG 2.88Å |
| 1728 | L | 92.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 115.8 | 168.9 | -179.7 | 157.7 | 0 | 0 | 0 | 108 | L1688 W1704 V1711 L1717 K1718 T1719 I1730 Y1741 | L1688-L1728 HydrophobicContact CB-CB 4.42Å; L1688-L1728 HydrophobicContact CD1-CB 4.42Å; L1688-L1728 HydrophobicContact CD1-CD2 4.05Å; L1688-L1728 HydrophobicContact CG-CD2 4.38Å; L1688-L1728 PolarHBondContact N-O 2.98Å; L1688-L1728 PolarHBondContact O-N 3.04Å; W1704-L1728 HydrophobicContact CB-CD1 3.96Å; W1704-L1728 HydrophobicContact CD2-CB 3.84Å; W1704-L1728 HydrophobicContact CD2-CD1 3.64Å; W1704-L1728 HydrophobicContact CD2-CG 4.39Å; W1704-L1728 HydrophobicContact CE3-CB 3.9Å; W1704-L1728 HydrophobicContact CE3-CD1 3.62Å; W1704-L1728 HydrophobicContact CE3-CG 4.41Å; W1704-L1728 HydrophobicContact CG-CB 4.48Å; W1704-L1728 HydrophobicContact CG-CD1 3.81Å; W1704-L1728 HydrophobicContact CH2-CB 3.64Å; W1704-L1728 HydrophobicContact CZ2-CB 3.64Å; W1704-L1728 HydrophobicContact CZ3-CB 3.79Å; W1704-L1728 HydrophobicContact CZ3-CD1 4.25Å; V1711-L1728 HydrophobicContact CG1-CD1 4.27Å; L1717-L1728 HydrophobicContact CD2-CD1 4.26Å; L1717-L1728 HydrophobicContact CD2-CD2 3.73Å; L1717-L1728 HydrophobicContact CD2-CG 4.23Å; K1718-L1728 CarbonylContact O-C 3.5Å; K1718-L1728 WeakPolarHBondContact O-CA 3.39Å; T1719-L1728 HydrophobicContact CG2-CB 4.29Å; T1719-L1728 HydrophobicContact CG2-CD1 4.01Å; T1719-L1728 HydrophobicContact CG2-CG 4.05Å; L1728-I1730 HydrophobicContact CD2-CD1 4.23Å; L1728-I1730 HydrophobicContact CD2-CG1 3.84Å; L1728-Y1741 HydrophobicContact CD1-CD1 3.88Å; L1728-Y1741 HydrophobicContact CD1-CE1 4.02Å; L1728-Y1741 HydrophobicContact CD2-CD1 4.28Å; L1728-Y1741 HydrophobicContact CD2-CE1 4.05Å |
| 1729 | T | 92.3 | Very high | 87.7 | Confident | 38.4 Ų | 38.4 | 44.9 Ų | 44.9 | 24% | 0.236 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 127.4 | 179.8 | -62 | 0 | 0 | 0 | 0 | 110.2 | V1686 V1687 L1717 K1718 P1731 | V1686-T1729 CarbonylContact O-C 3.58Å; V1686-T1729 WeakPolarHBondContact O-CA 3.34Å; V1687-T1729 HydrophobicContact CG2-CG2 4.19Å; L1717-T1729 CarbonylContact C-O 3.47Å; L1717-T1729 WeakPolarHBondContact CA-O 3.47Å; K1718-T1729 PolarHBondContact N-O 2.94Å; K1718-T1729 PolarHBondContact O-N 3.03Å; T1729-P1731 HydrophobicContact CG2-CG 4.45Å; T1729-P1731 WeakPolarHBondContact O-CD 3.34Å |
| 1730 | I | 90.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 103.5 | 169.9 | -51.7 | 172 | 0 | 0 | 0 | 106.6 | Q965 P1685 V1686 L1716 L1717 L1728 Q1732 A1733 H1737 | Q965-I1730 HydrophobicContact CB-CG2 4.08Å; Q965-I1730 VanDerWaalsContact OE1-CD1 3.25Å; P1685-I1730 CarbonylContact C-O 3.53Å; P1685-I1730 VanDerWaalsContact CA-O 3.24Å; P1685-I1730 WeakPolarHBondContact CA-O 3.28Å; V1686-I1730 HydrophobicContact CB-CB 4.26Å; V1686-I1730 HydrophobicContact CB-CD1 4.24Å; V1686-I1730 HydrophobicContact CB-CG1 4.19Å; V1686-I1730 HydrophobicContact CG1-CD1 4.21Å; V1686-I1730 HydrophobicContact CG1-CG1 4.15Å; V1686-I1730 PolarHBondContact N-O 2.95Å; V1686-I1730 PolarHBondContact O-N 2.99Å; L1716-I1730 WeakPolarHBondContact O-CG2 3.37Å; L1717-I1730 HydrophobicContact CD2-CB 4.46Å; L1717-I1730 HydrophobicContact CD2-CD1 4.24Å; L1717-I1730 HydrophobicContact CD2-CG1 3.71Å; L1717-I1730 HydrophobicContact CD2-CG2 4.21Å; L1717-I1730 HydrophobicContact CG-CG1 4.29Å; L1717-I1730 HydrophobicContact CG-CG2 4.38Å; L1728-I1730 HydrophobicContact CD2-CD1 4.23Å; L1728-I1730 HydrophobicContact CD2-CG1 3.84Å; I1730-Q1732 VanDerWaalsContact C-N 3.3Å; I1730-Q1732 VanDerWaalsContact CG2-O 3.25Å; I1730-Q1732 WeakPolarHBondContact CG2-O 3.29Å; I1730-Q1732 PolarHBondContact O-N 3.17Å; I1730-A1733 HydrophobicContact CG2-CB 4.24Å; I1730-H1737 HydrophobicContact CD1-CB 4.18Å; I1730-H1737 HydrophobicContact CG2-CB 4.42Å; I1730-H1737 VanDerWaalsContact CG2-ND1 3.3Å; I1730-H1737 WeakPolarHBondContact CG2-ND1 3.38Å |
| 1731 | P | 85.7 | Confident | 88 | Confident | 42 Ų | 42 | 40.6 Ų | 40.6 | 27% | 0.273 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -66.4 | -24.4 | -173.1 | -23.7 | 36 | 0 | 0 | 0 | 114.2 | P1685 L1716 K1718 T1729 | P1685-P1731 WeakPolarHBondContact CA-O 3.47Å; P1685-P1731 WeakPolarHBondContact CB-O 3.29Å; L1716-P1731 VanDerWaalsContact O-CD 3.3Å; L1716-P1731 WeakPolarHBondContact O-CD 3.38Å; K1718-P1731 HydrophobicContact CD-CG 4.26Å; K1718-P1731 HydrophobicContact CG-CG 4.1Å; T1729-P1731 HydrophobicContact CG2-CG 4.45Å; T1729-P1731 WeakPolarHBondContact O-CD 3.34Å |
| 1732 | Q | 84.6 | Confident | 88.3 | Confident | 81 Ų | 81 | 39.9 Ų | 39.9 | 38% | 0.379 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -141.1 | 124.6 | 169 | -84.9 | -172.3 | 2.6 | 0 | 0 | 108.7 | Q965 G966 N967 F968 G1683 I1730 Y1734 H1737 | Q965-Q1732 WeakPolarHBondContact CB-O 3.25Å; Q965-Q1732 PolarHBondContact OE1-O 2.85Å; G966-Q1732 VanDerWaalsContact C-NE2 3.28Å; G966-Q1732 VanDerWaalsContact CA-OE1 3.29Å; G966-Q1732 PolarHBondContact O-NE2 2.87Å; G966-Q1732 PolarHBondContact O-OE1 2.75Å; N967-Q1732 VanDerWaalsContact C-CD 3.44Å; N967-Q1732 VanDerWaalsContact C-CG 3.49Å; N967-Q1732 VanDerWaalsContact CA-CB 3.49Å; N967-Q1732 VanDerWaalsContact N-CD 3.26Å; N967-Q1732 PolarHBondContact O-NE2 3.38Å; F968-Q1732 HydrophobicContact CB-CG 3.98Å; F968-Q1732 HydrophobicContact CD2-CG 4Å; F968-Q1732 HydrophobicContact CG-CG 4.32Å; F968-Q1732 VanDerWaalsContact N-CB 3.27Å; G1683-Q1732 VanDerWaalsContact C-CG 3.44Å; G1683-Q1732 CarbonylContact O-C 3.52Å; G1683-Q1732 WeakPolarHBondContact O-CA 3.44Å; G1683-Q1732 VanDerWaalsContact O-CB 3.27Å; G1683-Q1732 WeakPolarHBondContact O-CB 3.2Å; G1683-Q1732 WeakPolarHBondContact O-CG 3.28Å; I1730-Q1732 VanDerWaalsContact C-N 3.3Å; I1730-Q1732 VanDerWaalsContact CG2-O 3.25Å; I1730-Q1732 WeakPolarHBondContact CG2-O 3.29Å; I1730-Q1732 PolarHBondContact O-N 3.17Å; Q1732-Y1734 HydrophobicContact CB-CE1 4.47Å; Q1732-Y1734 HydrophobicContact CB-CE2 4Å; Q1732-Y1734 PolarHBondContact NE2-OH 2.87Å; Q1732-Y1734 WeakPolarHBondContact O-CD2 3.34Å; Q1732-Y1734 VanDerWaalsContact OE1-CD2 3.24Å; Q1732-Y1734 PolarHBondContact OE1-OH 3.24Å; Q1732-Y1734 VanDerWaalsContact OE1-OH 3.06Å; Q1732-H1737 PolarHBondContact O-CE1 3.23Å; Q1732-H1737 PolarHBondContact O-ND1 3.21Å |
| 1733 | A | 85 | Confident | 88.8 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -86.5 | 127.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1681 E1682 G1683 L1684 V1686 I1730 I1760 | E1681-A1733 WeakPolarHBondContact O-CB 3.41Å; E1682-A1733 CarbonylContact C-O 3.56Å; E1682-A1733 VanDerWaalsContact CA-O 3.27Å; E1682-A1733 WeakPolarHBondContact CA-O 3.41Å; E1682-A1733 HydrophobicContact CB-CB 4.47Å; G1683-A1733 PolarHBondContact N-O 3.03Å; G1683-A1733 PolarHBondContact O-N 3.33Å; L1684-A1733 WeakPolarHBondContact O-CB 3.31Å; L1684-A1733 PolarHBondContact O-N 3.38Å; V1686-A1733 HydrophobicContact CB-CB 4.46Å; V1686-A1733 HydrophobicContact CG2-CB 3.88Å; I1730-A1733 HydrophobicContact CG2-CB 4.24Å; A1733-I1760 HydrophobicContact CB-CD1 3.71Å; A1733-I1760 HydrophobicContact CB-CG1 4.02Å; A1733-I1760 HydrophobicContact CB-CG2 4.43Å | ||
| 1734 | Y | 84.5 | Confident | 89.2 | Confident | 86.6 Ų | 86.6 | 30.4 Ų | 30.4 | 34% | 0.34 | 16% | 0.164 | S | C | . | . | trans | -118.8 | 156.1 | 173.1 | -62.1 | -69.8 | 0 | 0 | 0 | 109.8 | L963 P964 Q965 G966 E1682 L1716 Q1732 D1736 H1737 I1760 | L963-Y1734 CarbonylContact O-C 3.59Å; L963-Y1734 WeakPolarHBondContact O-CB 3.33Å; P964-Y1734 VanDerWaalsContact C-CD2 3.44Å; P964-Y1734 WeakPolarHBondContact O-CD2 3.25Å; Q965-Y1734 VanDerWaalsContact C-CD2 3.45Å; Q965-Y1734 HydrophobicContact CB-CD2 4.39Å; Q965-Y1734 WeakPolarHBondContact CG-O 3.2Å; Q965-Y1734 PolarHBondContact NE2-O 2.75Å; G966-Y1734 PolarHBondContact O-OH 2.74Å; E1682-Y1734 VanDerWaalsContact CD-CA 3.46Å; E1682-Y1734 VanDerWaalsContact CG-CA 3.46Å; E1682-Y1734 HydrophobicContact CG-CD1 4.22Å; E1682-Y1734 HydrophobicContact CG-CG 4.11Å; E1682-Y1734 WeakPolarHBondContact OE1-CA 3.42Å; E1682-Y1734 WeakPolarHBondContact OE1-CB 3.42Å; L1716-Y1734 HydrophobicContact CD2-CE2 4.3Å; Q1732-Y1734 HydrophobicContact CB-CE1 4.47Å; Q1732-Y1734 HydrophobicContact CB-CE2 4Å; Q1732-Y1734 PolarHBondContact NE2-OH 2.87Å; Q1732-Y1734 WeakPolarHBondContact O-CD2 3.34Å; Q1732-Y1734 VanDerWaalsContact OE1-CD2 3.24Å; Q1732-Y1734 PolarHBondContact OE1-OH 3.24Å; Q1732-Y1734 VanDerWaalsContact OE1-OH 3.06Å; Y1734-D1736 VanDerWaalsContact C-N 3.29Å; Y1734-D1736 WeakPolarHBondContact CB-OD1 3.2Å; Y1734-D1736 PolarHBondContact O-N 3.2Å; Y1734-D1736 VanDerWaalsContact O-N 3.08Å; Y1734-H1737 AromaticContact CD2-CE1 3.73Å; Y1734-H1737 PolarHBondContact N-ND1 3.18Å; Y1734-H1737 WeakPolarHBondContact O-CA 3.23Å; Y1734-H1737 VanDerWaalsContact O-CB 3.28Å; Y1734-H1737 WeakPolarHBondContact O-CB 3.33Å; Y1734-H1737 PolarHBondContact O-N 2.97Å; Y1734-I1760 VanDerWaalsContact O-CD1 3.25Å; Y1734-I1760 WeakPolarHBondContact O-CD1 3.4Å | ||
| 1735 | A | 80 | Confident | 89.5 | Confident | 19.6 Ų | 19.6 | 30.1 Ų | 30.1 | 16% | 0.162 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -57.8 | -25.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | P962 L963 E1682 H1737 S1738 I1760 K1762 | P962-A1735 HydrophobicContact CB-CB 3.61Å; P962-A1735 WeakPolarHBondContact CB-O 3.25Å; L963-A1735 PolarHBondContact O-N 2.77Å; E1682-A1735 WeakPolarHBondContact OE1-CB 3.29Å; E1682-A1735 PolarHBondContact OE1-N 3.01Å; E1682-A1735 VanDerWaalsContact OE1-N 3.1Å; A1735-H1737 VanDerWaalsContact C-N 3.3Å; A1735-H1737 PolarHBondContact O-N 3.49Å; A1735-S1738 VanDerWaalsContact O-CB 3.29Å; A1735-S1738 WeakPolarHBondContact O-CB 3.34Å; A1735-S1738 PolarHBondContact O-N 3.15Å; A1735-S1738 PolarHBondContact O-OG 3.11Å; A1735-S1738 VanDerWaalsContact O-OG 3.1Å; A1735-I1760 HydrophobicContact CB-CB 3.75Å; A1735-I1760 HydrophobicContact CB-CG2 3.56Å; A1735-K1762 HydrophobicContact CB-CB 4.05Å; A1735-K1762 HydrophobicContact CB-CD 4.06Å; A1735-K1762 VanDerWaalsContact CB-CD 3.44Å; A1735-K1762 VanDerWaalsContact CB-CE 3.42Å; A1735-K1762 HydrophobicContact CB-CG 3.71Å; A1735-K1762 VanDerWaalsContact CB-CG 3.48Å |
| 1736 | D | 85 | Confident | 89.4 | Confident | 93.8 Ų | 93.8 | 32.3 Ų | 32.3 | 50% | 0.502 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -73.8 | -20.5 | 176.6 | 80.9 | -51.2 | 0 | 0 | 0 | 113.6 | L963 P964 Q965 K1706 Y1734 S1738 | L963-D1736 WeakPolarHBondContact O-CA 3.36Å; L963-D1736 WeakPolarHBondContact O-CB 3.44Å; L963-D1736 PolarHBondContact O-N 3.43Å; P964-D1736 WeakPolarHBondContact CA-OD1 3.4Å; Q965-D1736 PolarHBondContact N-OD1 3.36Å; K1706-D1736 VanDerWaalsContact CE-O 3.27Å; K1706-D1736 WeakPolarHBondContact CE-O 3.26Å; K1706-D1736 PolarHBondContact NZ-O 3.01Å; K1706-D1736 IonicContact NZ-OD2 2.88Å; K1706-D1736 PolarHBondContact NZ-OD2 2.89Å; Y1734-D1736 VanDerWaalsContact C-N 3.29Å; Y1734-D1736 WeakPolarHBondContact CB-OD1 3.2Å; Y1734-D1736 PolarHBondContact O-N 3.2Å; Y1734-D1736 VanDerWaalsContact O-N 3.08Å; D1736-S1738 PolarHBondContact O-N 3.05Å; D1736-S1738 VanDerWaalsContact O-N 3.14Å |
| 1737 | H | 89.1 | Confident | 89.2 | Confident | 8.6 Ų | 8.6 | 33.3 Ų | 33.3 | 4% | 0.04 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -70.6 | -4.1 | 169.3 | -59.8 | 168.9 | 0 | 0 | 0 | 112.1 | Q965 K1706 L1717 I1730 Q1732 Y1734 A1735 Y1741 V1758 I1760 | Q965-H1737 WeakPolarHBondContact CB-CE1 3.47Å; Q965-H1737 VanDerWaalsContact CB-ND1 3.32Å; Q965-H1737 WeakPolarHBondContact CB-ND1 3.09Å; Q965-H1737 HydrophobicContact CG-CB 3.64Å; Q965-H1737 VanDerWaalsContact CG-CE1 3.43Å; Q965-H1737 WeakPolarHBondContact CG-CE1 3.18Å; Q965-H1737 WeakPolarHBondContact CG-ND1 3.41Å; Q965-H1737 VanDerWaalsContact OE1-CB 3.24Å; Q965-H1737 PolarHBondContact OE1-ND1 3.26Å; K1706-H1737 PolarHBondContact NZ-CD2 3.08Å; L1717-H1737 VanDerWaalsContact CG-CE1 3.48Å; L1717-H1737 WeakPolarHBondContact CG-CE1 3.46Å; I1730-H1737 HydrophobicContact CD1-CB 4.18Å; I1730-H1737 HydrophobicContact CG2-CB 4.42Å; I1730-H1737 VanDerWaalsContact CG2-ND1 3.3Å; I1730-H1737 WeakPolarHBondContact CG2-ND1 3.38Å; Q1732-H1737 PolarHBondContact O-CE1 3.23Å; Q1732-H1737 PolarHBondContact O-ND1 3.21Å; Y1734-H1737 AromaticContact CD2-CE1 3.73Å; Y1734-H1737 PolarHBondContact N-ND1 3.18Å; Y1734-H1737 WeakPolarHBondContact O-CA 3.23Å; Y1734-H1737 VanDerWaalsContact O-CB 3.28Å; Y1734-H1737 WeakPolarHBondContact O-CB 3.33Å; Y1734-H1737 PolarHBondContact O-N 2.97Å; A1735-H1737 VanDerWaalsContact C-N 3.3Å; A1735-H1737 PolarHBondContact O-N 3.49Å; H1737-Y1741 WeakPolarHBondContact CB-OH 3.33Å; H1737-Y1741 VanDerWaalsContact O-CE2 3.27Å; H1737-Y1741 WeakPolarHBondContact O-CE2 3.24Å; H1737-Y1741 PolarHBondContact O-OH 3.18Å; H1737-Y1741 VanDerWaalsContact O-OH 3.11Å; H1737-V1758 WeakPolarHBondContact O-CB 3.46Å; H1737-V1758 VanDerWaalsContact O-CG1 3.28Å; H1737-V1758 WeakPolarHBondContact O-CG1 3.37Å; H1737-I1760 HydrophobicContact CB-CD1 3.56Å; H1737-I1760 WeakPolarHBondContact O-CD1 3.48Å |
| 1738 | S | 88.6 | Confident | 88.5 | Confident | 35.8 Ų | 35.8 | 36.1 Ų | 36.1 | 25% | 0.25 | 21% | 0.205 | S | C | . | . | trans | -65.8 | 138.6 | 167.8 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | A1735 D1736 V1758 I1760 | A1735-S1738 VanDerWaalsContact O-CB 3.29Å; A1735-S1738 WeakPolarHBondContact O-CB 3.34Å; A1735-S1738 PolarHBondContact O-N 3.15Å; A1735-S1738 PolarHBondContact O-OG 3.11Å; A1735-S1738 VanDerWaalsContact O-OG 3.1Å; D1736-S1738 PolarHBondContact O-N 3.05Å; D1736-S1738 VanDerWaalsContact O-N 3.14Å; S1738-V1758 CarbonylContact C-O 3.47Å; S1738-V1758 VanDerWaalsContact CA-O 3.29Å; S1738-V1758 WeakPolarHBondContact CA-O 3.36Å; S1738-I1760 WeakPolarHBondContact OG-CD1 3.14Å; S1738-I1760 PolarHBondContact OG-N 3.03Å; S1738-I1760 VanDerWaalsContact OG-N 3.09Å | ||
| 1739 | G | 89.9 | Confident | 87.9 | Confident | 12.2 Ų | 12.2 | 41 Ų | 41 | 13% | 0.126 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.5 | 179.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N1707 Y1741 V1758 | N1707-G1739 VanDerWaalsContact OD1-CA 3.26Å; N1707-G1739 WeakPolarHBondContact OD1-CA 3.45Å; G1739-Y1741 PolarHBondContact O-N 3.01Å; G1739-V1758 PolarHBondContact N-O 2.92Å; G1739-V1758 PolarHBondContact O-N 2.93Å |
| 1740 | V | 92.4 | Very high | 87.5 | Confident | 60.2 Ų | 60.2 | 40.5 Ų | 40.5 | 37% | 0.365 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 115.9 | 168.7 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | K1706 N1707 C1756 | K1706-V1740 CarbonylContact C-O 3.51Å; K1706-V1740 WeakPolarHBondContact CA-O 3.45Å; N1707-V1740 PolarHBondContact N-O 2.88Å; N1707-V1740 PolarHBondContact OD1-N 3.02Å; V1740-C1756 CarbonylContact C-O 3.54Å; V1740-C1756 VanDerWaalsContact CA-O 3.3Å; V1740-C1756 WeakPolarHBondContact CA-O 3.33Å |
| 1741 | Y | 93.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 130 | 173.5 | -76.2 | -101.4 | 0 | 0 | 0 | 109.3 | L1674 L1688 W1704 L1705 K1706 V1711 L1717 L1728 H1737 G1739 S1755 C1756 V1758 | L1674-Y1741 WeakPolarHBondContact CD1-O 3.44Å; L1688-Y1741 HydrophobicContact CD1-CD1 3.88Å; L1688-Y1741 VanDerWaalsContact CD1-CD1 3.48Å; L1688-Y1741 HydrophobicContact CD1-CD2 4.13Å; L1688-Y1741 HydrophobicContact CD1-CE1 4.33Å; L1688-Y1741 HydrophobicContact CD1-CG 3.6Å; L1688-Y1741 VanDerWaalsContact CD1-CG 3.46Å; W1704-Y1741 HydrophobicContact CE3-CD1 4.47Å; L1705-Y1741 CarbonylContact O-C 3.48Å; L1705-Y1741 VanDerWaalsContact O-CA 3.25Å; L1705-Y1741 WeakPolarHBondContact O-CA 3.36Å; K1706-Y1741 HydrophobicContact CB-CD1 4.28Å; K1706-Y1741 HydrophobicContact CB-CE1 4.06Å; K1706-Y1741 HydrophobicContact CB-CE2 4.35Å; K1706-Y1741 HydrophobicContact CD-CE1 4.17Å; K1706-Y1741 HydrophobicContact CD-CE2 4.4Å; K1706-Y1741 WeakPolarHBondContact CD-OH 3.27Å; K1706-Y1741 VanDerWaalsContact CE-OH 3.32Å; K1706-Y1741 WeakPolarHBondContact CE-OH 3.12Å; K1706-Y1741 HydrophobicContact CG-CD1 4.42Å; K1706-Y1741 HydrophobicContact CG-CE1 4.12Å; K1706-Y1741 HydrophobicContact CG-CE2 4.08Å; V1711-Y1741 HydrophobicContact CG2-CE1 4.42Å; L1717-Y1741 HydrophobicContact CD2-CE1 4.33Å; L1728-Y1741 HydrophobicContact CD1-CD1 3.88Å; L1728-Y1741 HydrophobicContact CD1-CE1 4.02Å; L1728-Y1741 HydrophobicContact CD2-CD1 4.28Å; L1728-Y1741 HydrophobicContact CD2-CE1 4.05Å; H1737-Y1741 WeakPolarHBondContact CB-OH 3.33Å; H1737-Y1741 VanDerWaalsContact O-CE2 3.27Å; H1737-Y1741 WeakPolarHBondContact O-CE2 3.24Å; H1737-Y1741 PolarHBondContact O-OH 3.18Å; H1737-Y1741 VanDerWaalsContact O-OH 3.11Å; G1739-Y1741 PolarHBondContact O-N 3.01Å; Y1741-S1755 CarbonylContact O-C 3.51Å; Y1741-S1755 WeakPolarHBondContact O-CA 3.35Å; Y1741-S1755 WeakPolarHBondContact O-CB 3.37Å; Y1741-C1756 PolarHBondContact N-O 2.93Å; Y1741-C1756 PolarHBondContact O-N 2.97Å; Y1741-V1758 HydrophobicContact CD2-CB 4.02Å; Y1741-V1758 HydrophobicContact CD2-CG2 3.54Å; Y1741-V1758 VanDerWaalsContact CD2-CG2 3.47Å; Y1741-V1758 HydrophobicContact CE2-CB 4Å; Y1741-V1758 HydrophobicContact CE2-CG2 3.86Å; Y1741-V1758 HydrophobicContact CG-CG2 4.23Å |
| 1742 | T | 93.7 | Very high | 87.6 | Confident | 23.2 Ų | 23.2 | 44.1 Ų | 44.1 | 14% | 0.142 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 120.7 | 177.7 | -57.9 | 0 | 0 | 0 | 0 | 109.3 | W1704 L1705 K1744 A1753 A1754 S1755 | W1704-T1742 CarbonylContact C-O 3.53Å; W1704-T1742 WeakPolarHBondContact CA-O 3.35Å; L1705-T1742 HydrophobicContact CD1-CG2 4.32Å; L1705-T1742 PolarHBondContact N-O 2.97Å; L1705-T1742 PolarHBondContact O-N 3.03Å; T1742-K1744 HydrophobicContact CG2-CG 4.22Å; T1742-A1753 HydrophobicContact CG2-CB 4.22Å; T1742-A1754 CarbonylContact C-O 3.51Å; T1742-A1754 VanDerWaalsContact CA-O 3.28Å; T1742-A1754 WeakPolarHBondContact CA-O 3.29Å; T1742-A1754 WeakPolarHBondContact CG2-O 3.34Å; T1742-S1755 WeakPolarHBondContact CB-OG 3.36Å; T1742-S1755 VanDerWaalsContact CG2-OG 3.28Å; T1742-S1755 WeakPolarHBondContact CG2-OG 3.39Å; T1742-S1755 WeakPolarHBondContact OG1-CB 3.39Å; T1742-S1755 PolarHBondContact OG1-OG 2.96Å |
| 1743 | L | 93.7 | Very high | 88 | Confident | 0.4 Ų | 0.4 | 43 Ų | 43 | 0% | 0.002 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 124.4 | 164 | 171 | 63.9 | 0 | 0 | 0 | 108 | I1670 L1674 A1690 A1702 W1704 C1726 L1745 A1753 A1754 | I1670-L1743 HydrophobicContact CD1-CD2 4.44Å; L1674-L1743 HydrophobicContact CD1-CB 3.91Å; L1674-L1743 HydrophobicContact CD2-CB 4.43Å; L1674-L1743 HydrophobicContact CG-CB 4.35Å; A1690-L1743 HydrophobicContact CB-CD2 3.68Å; A1702-L1743 HydrophobicContact CB-CD1 4.16Å; W1704-L1743 HydrophobicContact CD2-CB 4.39Å; W1704-L1743 HydrophobicContact CD2-CD1 4.23Å; W1704-L1743 HydrophobicContact CE3-CB 4.16Å; W1704-L1743 HydrophobicContact CH2-CB 4.23Å; W1704-L1743 HydrophobicContact CH2-CD2 4.49Å; W1704-L1743 HydrophobicContact CZ2-CB 4.36Å; W1704-L1743 HydrophobicContact CZ2-CD1 4.15Å; W1704-L1743 HydrophobicContact CZ2-CD2 4.39Å; W1704-L1743 HydrophobicContact CZ2-CG 4.38Å; W1704-L1743 HydrophobicContact CZ3-CB 4.09Å; C1726-L1743 HydrophobicContact CB-CD1 4.3Å; C1726-L1743 HydrophobicContact CB-CD2 3.88Å; L1743-L1745 HydrophobicContact CD1-CD2 4.15Å; L1743-L1745 HydrophobicContact CD1-CG 4.35Å; L1743-L1745 HydrophobicContact CD2-CD1 4.38Å; L1743-L1745 HydrophobicContact CD2-CG 4.45Å; L1743-L1745 HydrophobicContact CG-CD1 4.49Å; L1743-L1745 HydrophobicContact CG-CD2 4.42Å; L1743-L1745 HydrophobicContact CG-CG 4.27Å; L1743-A1753 CarbonylContact O-C 3.5Å; L1743-A1753 VanDerWaalsContact O-CA 3.25Å; L1743-A1753 WeakPolarHBondContact O-CA 3.28Å; L1743-A1754 PolarHBondContact N-O 3.13Å; L1743-A1754 PolarHBondContact O-N 3.03Å |
| 1744 | K | 92.2 | Very high | 88.3 | Confident | 57.8 Ų | 57.8 | 43.5 Ų | 43.5 | 25% | 0.251 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 132.9 | 168.4 | -89.5 | -175.5 | 169.8 | -136.2 | 0 | 109.7 | A1702 E1703 L1705 T1742 E1751 A1752 A1753 | A1702-K1744 CarbonylContact C-O 3.54Å; A1702-K1744 WeakPolarHBondContact CA-O 3.27Å; E1703-K1744 HydrophobicContact CB-CB 4.25Å; E1703-K1744 PolarHBondContact N-O 2.9Å; E1703-K1744 WeakPolarHBondContact O-CB 3.34Å; E1703-K1744 PolarHBondContact O-N 3.09Å; L1705-K1744 HydrophobicContact CD1-CB 4.16Å; L1705-K1744 HydrophobicContact CD1-CD 3.84Å; L1705-K1744 HydrophobicContact CD1-CG 3.96Å; T1742-K1744 HydrophobicContact CG2-CG 4.22Å; K1744-E1751 VanDerWaalsContact CD-OE1 3.23Å; K1744-E1751 WeakPolarHBondContact CD-OE1 3.35Å; K1744-E1751 WeakPolarHBondContact CE-OE1 3.31Å; K1744-E1751 WeakPolarHBondContact CE-OE2 3.35Å; K1744-E1751 HydrophobicContact CG-CG 4.1Å; K1744-E1751 WeakPolarHBondContact CG-OE1 3.39Å; K1744-E1751 VanDerWaalsContact NZ-CD 3.33Å; K1744-E1751 IonicContact NZ-OE1 2.8Å; K1744-E1751 PolarHBondContact NZ-OE1 3.09Å; K1744-E1751 IonicContact NZ-OE2 3.43Å; K1744-E1751 PolarHBondContact NZ-OE2 2.94Å; K1744-A1752 CarbonylContact C-O 3.52Å; K1744-A1752 WeakPolarHBondContact CA-O 3.29Å; K1744-A1753 HydrophobicContact CG-CB 4.19Å |
| 1745 | L | 91.6 | Very high | 88.7 | Confident | 0.2 Ų | 0.2 | 42.6 Ų | 42.6 | 0% | 0.001 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.6 | 173 | -63.8 | 172.3 | 0 | 0 | 0 | 108.4 | P1668 I1670 Y1692 I1700 V1701 A1702 L1743 E1751 A1752 | P1668-L1745 HydrophobicContact CB-CB 3.92Å; P1668-L1745 HydrophobicContact CG-CB 3.98Å; P1668-L1745 VanDerWaalsContact CG-O 3.28Å; P1668-L1745 WeakPolarHBondContact CG-O 3.4Å; I1670-L1745 HydrophobicContact CD1-CD1 4.26Å; I1670-L1745 HydrophobicContact CG1-CD1 3.84Å; Y1692-L1745 VanDerWaalsContact CB-CD1 3.45Å; Y1692-L1745 HydrophobicContact CD1-CD1 4.03Å; Y1692-L1745 HydrophobicContact CD1-CD2 4.5Å; Y1692-L1745 HydrophobicContact CD2-CD1 4.3Å; Y1692-L1745 HydrophobicContact CG-CD1 3.65Å; Y1692-L1745 HydrophobicContact CG-CD2 4.41Å; I1700-L1745 HydrophobicContact CG2-CB 4.35Å; I1700-L1745 HydrophobicContact CG2-CD2 3.93Å; V1701-L1745 WeakPolarHBondContact O-CA 3.3Å; A1702-L1745 HydrophobicContact CB-CD2 3.72Å; L1743-L1745 HydrophobicContact CD1-CD2 4.15Å; L1743-L1745 HydrophobicContact CD1-CG 4.35Å; L1743-L1745 HydrophobicContact CD2-CD1 4.38Å; L1743-L1745 HydrophobicContact CD2-CG 4.45Å; L1743-L1745 HydrophobicContact CG-CD1 4.49Å; L1743-L1745 HydrophobicContact CG-CD2 4.42Å; L1743-L1745 HydrophobicContact CG-CG 4.27Å; L1745-E1751 CarbonylContact O-C 3.39Å; L1745-E1751 VanDerWaalsContact O-CA 3.28Å; L1745-E1751 WeakPolarHBondContact O-CA 3.29Å; L1745-E1751 VanDerWaalsContact O-CG 3.27Å; L1745-E1751 WeakPolarHBondContact O-CG 3.27Å; L1745-A1752 PolarHBondContact N-O 2.82Å; L1745-A1752 PolarHBondContact O-N 3.17Å |
| 1746 | R | 89.1 | Confident | 89.2 | Confident | 109 Ų | 109 | 41.7 Ų | 41.7 | 41% | 0.411 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 140.9 | 178 | 63.1 | 177.1 | -177.1 | -104.2 | 2.9 | 111.4 | I1700 V1701 E1703 G1750 E1751 | I1700-R1746 CarbonylContact C-O 3.42Å; I1700-R1746 VanDerWaalsContact CA-O 3.3Å; I1700-R1746 WeakPolarHBondContact CA-O 3.36Å; V1701-R1746 HydrophobicContact CB-CG 3.92Å; V1701-R1746 HydrophobicContact CG2-CG 4.47Å; V1701-R1746 PolarHBondContact N-O 2.9Å; V1701-R1746 PolarHBondContact O-N 3.09Å; E1703-R1746 IonicContact OE2-CZ 2.82Å; E1703-R1746 IonicContact OE2-NH1 3.06Å; E1703-R1746 PolarHBondContact OE2-NH1 2.95Å; E1703-R1746 VanDerWaalsContact OE2-NH1 3.16Å; R1746-G1750 WeakPolarHBondContact CA-O 3.39Å; R1746-E1751 HydrophobicContact CB-CB 4.49Å; R1746-E1751 HydrophobicContact CB-CG 4.38Å |
| 1747 | N | 84.9 | Confident | 89.5 | Confident | 20.4 Ų | 20.4 | 39 Ų | 39 | 11% | 0.109 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | -170.4 | 162.6 | 72.5 | -1.4 | 0 | 0 | 0 | 109.9 | K1666 P1668 D1697 A1699 I1700 E1749 G1750 | K1666-N1747 PolarHBondContact O-ND2 2.91Å; P1668-N1747 VanDerWaalsContact CD-CG 3.47Å; P1668-N1747 VanDerWaalsContact CD-OD1 3.25Å; P1668-N1747 WeakPolarHBondContact CD-OD1 3.36Å; P1668-N1747 HydrophobicContact CG-CB 4.15Å; D1697-N1747 VanDerWaalsContact OD2-CB 3.27Å; D1697-N1747 WeakPolarHBondContact OD2-CB 3.23Å; D1697-N1747 PolarHBondContact OD2-ND2 2.9Å; A1699-N1747 HydrophobicContact CB-CB 4.44Å; A1699-N1747 WeakPolarHBondContact O-CA 3.29Å; A1699-N1747 WeakPolarHBondContact O-CB 3.44Å; I1700-N1747 HydrophobicContact CG1-CB 3.99Å; N1747-E1749 PolarHBondContact O-N 2.99Å; N1747-E1749 VanDerWaalsContact O-N 3.15Å; N1747-E1749 WeakPolarHBondContact OD1-CA 3.26Å; N1747-E1749 WeakPolarHBondContact OD1-CB 3.23Å; N1747-E1749 PolarHBondContact OD1-N 3.02Å; N1747-G1750 PolarHBondContact N-O 2.84Å; N1747-G1750 PolarHBondContact O-N 3.15Å; N1747-G1750 PolarHBondContact OD1-N 2.86Å; N1747-G1750 VanDerWaalsContact OD1-N 3.11Å; N1747-G1750 PolarHBondContact OD1-O 3.1Å |
| 1748 | G | 78.3 | Confident | 89.6 | Confident | 69.4 Ų | 69.4 | 38.7 Ų | 38.7 | 72% | 0.715 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -19.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1749 | E | 81.8 | Confident | 89.5 | Confident | 103.2 Ų | 103.2 | 43 Ų | 43 | 48% | 0.482 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -13.3 | -174.3 | -55.8 | -58.6 | 144.5 | 0 | 0 | 113.4 | R1665 K1667 N1747 | R1665-E1749 HydrophobicContact CB-CG 3.62Å; R1665-E1749 VanDerWaalsContact CB-CG 3.42Å; R1665-E1749 WeakPolarHBondContact CB-OE1 3.42Å; R1665-E1749 WeakPolarHBondContact CD-OE1 3.31Å; K1667-E1749 HydrophobicContact CB-CB 4.22Å; N1747-E1749 PolarHBondContact O-N 2.99Å; N1747-E1749 VanDerWaalsContact O-N 3.15Å; N1747-E1749 WeakPolarHBondContact OD1-CA 3.26Å; N1747-E1749 WeakPolarHBondContact OD1-CB 3.23Å; N1747-E1749 PolarHBondContact OD1-N 3.02Å |
| 1750 | G | 82.8 | Confident | 89.4 | Confident | 26.8 Ų | 26.8 | 43 Ų | 43 | 28% | 0.276 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.2 | -170.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | P1668 R1746 N1747 | P1668-G1750 VanDerWaalsContact CD-O 3.29Å; P1668-G1750 WeakPolarHBondContact CD-O 3.41Å; R1746-G1750 WeakPolarHBondContact CA-O 3.39Å; N1747-G1750 PolarHBondContact N-O 2.84Å; N1747-G1750 PolarHBondContact O-N 3.15Å; N1747-G1750 PolarHBondContact OD1-N 2.86Å; N1747-G1750 VanDerWaalsContact OD1-N 3.11Å; N1747-G1750 PolarHBondContact OD1-O 3.1Å |
| 1751 | E | 89.5 | Confident | 88.5 | Confident | 99 Ų | 99 | 44.6 Ų | 44.6 | 46% | 0.463 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 143.3 | -179.7 | -167.8 | -169.7 | 122.3 | 0 | 0 | 110.6 | K1744 L1745 R1746 | K1744-E1751 VanDerWaalsContact CD-OE1 3.23Å; K1744-E1751 WeakPolarHBondContact CD-OE1 3.35Å; K1744-E1751 WeakPolarHBondContact CE-OE1 3.31Å; K1744-E1751 WeakPolarHBondContact CE-OE2 3.35Å; K1744-E1751 HydrophobicContact CG-CG 4.1Å; K1744-E1751 WeakPolarHBondContact CG-OE1 3.39Å; K1744-E1751 VanDerWaalsContact NZ-CD 3.33Å; K1744-E1751 IonicContact NZ-OE1 2.8Å; K1744-E1751 PolarHBondContact NZ-OE1 3.09Å; K1744-E1751 IonicContact NZ-OE2 3.43Å; K1744-E1751 PolarHBondContact NZ-OE2 2.94Å; L1745-E1751 CarbonylContact O-C 3.39Å; L1745-E1751 VanDerWaalsContact O-CA 3.28Å; L1745-E1751 WeakPolarHBondContact O-CA 3.29Å; L1745-E1751 VanDerWaalsContact O-CG 3.27Å; L1745-E1751 WeakPolarHBondContact O-CG 3.27Å; R1746-E1751 HydrophobicContact CB-CB 4.49Å; R1746-E1751 HydrophobicContact CB-CG 4.38Å |
| 1752 | A | 89.9 | Confident | 86.8 | Confident | 18 Ų | 18 | 50.5 Ų | 50.5 | 15% | 0.149 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 144.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | P1668 I1670 K1744 L1745 | P1668-A1752 HydrophobicContact CB-CB 4.41Å; P1668-A1752 HydrophobicContact CG-CB 4.24Å; P1668-A1752 VanDerWaalsContact O-CB 3.27Å; P1668-A1752 WeakPolarHBondContact O-CB 3.23Å; I1670-A1752 HydrophobicContact CD1-CB 4.27Å; I1670-A1752 HydrophobicContact CG1-CB 4.3Å; K1744-A1752 CarbonylContact C-O 3.52Å; K1744-A1752 WeakPolarHBondContact CA-O 3.29Å; L1745-A1752 PolarHBondContact N-O 2.82Å; L1745-A1752 PolarHBondContact O-N 3.17Å |
| 1753 | A | 91.7 | Very high | 84.8 | Confident | 58.6 Ų | 58.6 | 53.8 Ų | 53.8 | 48% | 0.484 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 139.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T1742 L1743 K1744 | T1742-A1753 HydrophobicContact CG2-CB 4.22Å; L1743-A1753 CarbonylContact O-C 3.5Å; L1743-A1753 VanDerWaalsContact O-CA 3.25Å; L1743-A1753 WeakPolarHBondContact O-CA 3.28Å; K1744-A1753 HydrophobicContact CG-CB 4.19Å |
| 1754 | A | 91.2 | Very high | 82.5 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 145.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | I1670 A1673 L1674 T1742 L1743 | I1670-A1754 HydrophobicContact CB-CB 4.38Å; I1670-A1754 HydrophobicContact CD1-CB 3.55Å; I1670-A1754 VanDerWaalsContact CD1-CB 3.46Å; I1670-A1754 VanDerWaalsContact CD1-N 3.34Å; I1670-A1754 HydrophobicContact CG1-CB 4.48Å; I1670-A1754 HydrophobicContact CG2-CB 4.18Å; A1673-A1754 HydrophobicContact CB-CB 4.23Å; L1674-A1754 HydrophobicContact CD1-CB 4.45Å; L1674-A1754 WeakPolarHBondContact CD1-O 3.41Å; L1674-A1754 HydrophobicContact CG-CB 4.32Å; T1742-A1754 CarbonylContact C-O 3.51Å; T1742-A1754 VanDerWaalsContact CA-O 3.28Å; T1742-A1754 WeakPolarHBondContact CA-O 3.29Å; T1742-A1754 WeakPolarHBondContact CG2-O 3.34Å; L1743-A1754 PolarHBondContact N-O 3.13Å; L1743-A1754 PolarHBondContact O-N 3.03Å |
| 1755 | S | 92.6 | Very high | 80 | Confident | 66.8 Ų | 66.8 | 58.1 Ų | 58.1 | 47% | 0.467 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 143.3 | 179.1 | -57 | 0 | 0 | 0 | 0 | 111.1 | Y1741 T1742 | Y1741-S1755 CarbonylContact O-C 3.51Å; Y1741-S1755 WeakPolarHBondContact O-CA 3.35Å; Y1741-S1755 WeakPolarHBondContact O-CB 3.37Å; T1742-S1755 WeakPolarHBondContact CB-OG 3.36Å; T1742-S1755 VanDerWaalsContact CG2-OG 3.28Å; T1742-S1755 WeakPolarHBondContact CG2-OG 3.39Å; T1742-S1755 WeakPolarHBondContact OG1-CB 3.39Å; T1742-S1755 PolarHBondContact OG1-OG 2.96Å |
| 1756 | C | 92 | Very high | 77.7 | Confident | 1.2 Ų | 1.2 | 63.4 Ų | 63.4 | 1% | 0.008 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 162.6 | 169.7 | 65.7 | 0 | 0 | 0 | 0 | 111 | L1674 N1675 D1676 V1740 Y1741 | L1674-C1756 HydrophobicContact CB-CB 3.59Å; L1674-C1756 HydrophobicContact CD1-CB 4.49Å; L1674-C1756 WeakPolarHBondContact O-CB 3.37Å; N1675-C1756 VanDerWaalsContact C-CB 3.48Å; N1675-C1756 VanDerWaalsContact O-CB 3.27Å; N1675-C1756 WeakPolarHBondContact O-CB 3.35Å; N1675-C1756 PolarHBondContact O-SG 2.87Å; D1676-C1756 WeakPolarHBondContact OD1-CA 3.35Å; D1676-C1756 WeakPolarHBondContact OD1-CB 3.48Å; V1740-C1756 CarbonylContact C-O 3.54Å; V1740-C1756 VanDerWaalsContact CA-O 3.3Å; V1740-C1756 WeakPolarHBondContact CA-O 3.33Å; Y1741-C1756 PolarHBondContact N-O 2.93Å; Y1741-C1756 PolarHBondContact O-N 2.97Å |
| 1757 | T | 91.7 | Very high | 75.6 | Confident | 38 Ų | 38 | 65.5 Ų | 65.5 | 23% | 0.233 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 120.9 | 177.7 | -47.6 | 0 | 0 | 0 | 0 | 109.6 | D1676 V1677 R1759 | D1676-T1757 CarbonylContact C-O 3.35Å; D1676-T1757 WeakPolarHBondContact CA-O 3.5Å; D1676-T1757 WeakPolarHBondContact OD1-CB 2.93Å; D1676-T1757 PolarHBondContact OD1-N 2.95Å; D1676-T1757 PolarHBondContact OD1-OG1 2.87Å; V1677-T1757 CarbonylContact C-O 3.51Å; V1677-T1757 PolarHBondContact N-O 2.96Å; T1757-R1759 HydrophobicContact CG2-CG 4.14Å; T1757-R1759 PolarHBondContact O-N 2.82Å |
| 1758 | V | 90.5 | Very high | 73.4 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.006 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 124.1 | 171.1 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | V1677 V1686 L1688 H1737 S1738 G1739 Y1741 I1760 | V1677-V1758 HydrophobicContact CB-CG1 4.38Å; V1677-V1758 HydrophobicContact CB-CG2 4.32Å; V1677-V1758 HydrophobicContact CG2-CG2 4.45Å; V1677-V1758 CarbonylContact O-C 3.51Å; V1677-V1758 WeakPolarHBondContact O-CA 3.31Å; V1686-V1758 HydrophobicContact CG1-CG1 4.4Å; L1688-V1758 HydrophobicContact CD1-CG2 3.99Å; L1688-V1758 HydrophobicContact CD2-CG2 3.73Å; L1688-V1758 HydrophobicContact CG-CG2 4.37Å; H1737-V1758 WeakPolarHBondContact O-CB 3.46Å; H1737-V1758 VanDerWaalsContact O-CG1 3.28Å; H1737-V1758 WeakPolarHBondContact O-CG1 3.37Å; S1738-V1758 CarbonylContact C-O 3.47Å; S1738-V1758 VanDerWaalsContact CA-O 3.29Å; S1738-V1758 WeakPolarHBondContact CA-O 3.36Å; G1739-V1758 PolarHBondContact N-O 2.92Å; G1739-V1758 PolarHBondContact O-N 2.93Å; Y1741-V1758 HydrophobicContact CD2-CB 4.02Å; Y1741-V1758 HydrophobicContact CD2-CG2 3.54Å; Y1741-V1758 VanDerWaalsContact CD2-CG2 3.47Å; Y1741-V1758 HydrophobicContact CE2-CB 4Å; Y1741-V1758 HydrophobicContact CE2-CG2 3.86Å; Y1741-V1758 HydrophobicContact CG-CG2 4.23Å; V1758-I1760 HydrophobicContact CG1-CD1 3.96Å; V1758-I1760 HydrophobicContact CG1-CG1 4.2Å |
| 1759 | R | 87.3 | Confident | 71.6 | Confident | 126 Ų | 126 | 68.7 Ų | 68.7 | 48% | 0.475 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 114.4 | 173.1 | -61.8 | -173.4 | -171.1 | 134.1 | 12.9 | 109.7 | V1677 E1678 N1679 A1680 T1757 | V1677-R1759 PolarHBondContact O-N 3.19Å; E1678-R1759 CarbonylContact C-O 3.54Å; E1678-R1759 IonicContact OE1-CZ 3.35Å; E1678-R1759 VanDerWaalsContact OE1-CZ 3.24Å; E1678-R1759 IonicContact OE1-NH1 3.26Å; E1678-R1759 PolarHBondContact OE1-NH1 3.09Å; E1678-R1759 IonicContact OE1-NH2 3.17Å; E1678-R1759 PolarHBondContact OE1-NH2 3.05Å; N1679-R1759 CarbonylContact C-O 3.55Å; N1679-R1759 WeakPolarHBondContact CA-O 3.46Å; N1679-R1759 PolarHBondContact N-O 2.88Å; N1679-R1759 VanDerWaalsContact N-O 3.13Å; A1680-R1759 PolarHBondContact N-O 2.86Å; T1757-R1759 HydrophobicContact CG2-CG 4.14Å; T1757-R1759 PolarHBondContact O-N 2.82Å |
| 1760 | I | 86.5 | Confident | 69.8 | Low | 12.4 Ų | 12.4 | 68.5 Ų | 68.5 | 6% | 0.064 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 123.5 | 175 | -64.2 | 140.5 | 0 | 0 | 0 | 107.4 | A955 A1680 E1682 A1733 Y1734 A1735 H1737 S1738 V1758 K1762 | A955-I1760 HydrophobicContact CB-CB 4.1Å; A955-I1760 HydrophobicContact CB-CG2 3.15Å; A1680-I1760 HydrophobicContact CB-CG1 3.92Å; A1680-I1760 CarbonylContact O-C 3.51Å; A1680-I1760 VanDerWaalsContact O-CA 3.28Å; A1680-I1760 WeakPolarHBondContact O-CA 3.27Å; E1682-I1760 HydrophobicContact CB-CG2 4.02Å; A1733-I1760 HydrophobicContact CB-CD1 3.71Å; A1733-I1760 HydrophobicContact CB-CG1 4.02Å; A1733-I1760 HydrophobicContact CB-CG2 4.43Å; Y1734-I1760 VanDerWaalsContact O-CD1 3.25Å; Y1734-I1760 WeakPolarHBondContact O-CD1 3.4Å; A1735-I1760 HydrophobicContact CB-CB 3.75Å; A1735-I1760 HydrophobicContact CB-CG2 3.56Å; H1737-I1760 HydrophobicContact CB-CD1 3.56Å; H1737-I1760 WeakPolarHBondContact O-CD1 3.48Å; S1738-I1760 WeakPolarHBondContact OG-CD1 3.14Å; S1738-I1760 PolarHBondContact OG-N 3.03Å; S1738-I1760 VanDerWaalsContact OG-N 3.09Å; V1758-I1760 HydrophobicContact CG1-CD1 3.96Å; V1758-I1760 HydrophobicContact CG1-CG1 4.2Å; I1760-K1762 WeakPolarHBondContact O-CG 3.4Å; I1760-K1762 PolarHBondContact O-N 3.07Å; I1760-K1762 VanDerWaalsContact O-N 3.16Å |
| 1761 | Q | 73.5 | Confident | 68 | Low | 93.4 Ų | 93.4 | 76.3 Ų | 76.3 | 44% | 0.436 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 128.5 | 176.1 | -79.5 | -172.2 | 15.7 | 0 | 0 | 110.2 | K953 I954 A955 W956 N1679 A1680 E1682 Q1763 | K953-Q1761 PolarHBondContact O-NE2 3.08Å; I954-Q1761 WeakPolarHBondContact O-CB 3.44Å; I954-Q1761 PolarHBondContact O-N 2.82Å; A955-Q1761 CarbonylContact C-O 3.54Å; A955-Q1761 VanDerWaalsContact CA-O 3.3Å; A955-Q1761 WeakPolarHBondContact CA-O 3.46Å; A955-Q1761 VanDerWaalsContact CB-C 3.49Å; A955-Q1761 HydrophobicContact CB-CB 4.06Å; A955-Q1761 WeakPolarHBondContact CB-O 3.41Å; A955-Q1761 CarbonylContact O-C 3.53Å; W956-Q1761 PolarHBondContact N-O 3.49Å; N1679-Q1761 HydrophobicContact CB-CB 3.83Å; N1679-Q1761 HydrophobicContact CB-CG 4.24Å; N1679-Q1761 VanDerWaalsContact CB-NE2 3.31Å; N1679-Q1761 VanDerWaalsContact CG-NE2 3.35Å; N1679-Q1761 PolarHBondContact OD1-NE2 3Å; A1680-Q1761 PolarHBondContact O-N 2.95Å; E1682-Q1761 PolarHBondContact N-O 3.31Å; Q1761-Q1763 PolarHBondContact O-N 3.16Å; Q1761-Q1763 VanDerWaalsContact O-N 3.15Å |
| 1762 | K | 58.4 | Low | 65.9 | Low | 123.8 Ų | 123.8 | 77.6 Ų | 77.6 | 54% | 0.538 | 44% | 0.438 | S | S | . | . | trans | -73.9 | 113.1 | 174.8 | -91.1 | -171.8 | 160.1 | -164.3 | 0 | 111.7 | A955 W956 F957 K958 G960 Q961 P962 E1682 A1735 I1760 A1764 | A955-K1762 CarbonylContact O-C 3.56Å; A955-K1762 WeakPolarHBondContact O-CA 3.49Å; A955-K1762 PolarHBondContact O-N 2.93Å; A955-K1762 VanDerWaalsContact O-N 3.1Å; W956-K1762 VanDerWaalsContact C-C 3.41Å; W956-K1762 VanDerWaalsContact CA-C 3.47Å; W956-K1762 VanDerWaalsContact O-CB 3.3Å; W956-K1762 WeakPolarHBondContact O-CB 3.45Å; W956-K1762 WeakPolarHBondContact O-CE 3.48Å; W956-K1762 WeakPolarHBondContact O-CG 3.43Å; F957-K1762 VanDerWaalsContact CA-CB 3.42Å; F957-K1762 HydrophobicContact CB-CB 3.44Å; F957-K1762 VanDerWaalsContact CB-CB 3.44Å; F957-K1762 HydrophobicContact CD1-CB 3.28Å; F957-K1762 HydrophobicContact CD1-CD 3.41Å; F957-K1762 VanDerWaalsContact CD1-CD 3.41Å; F957-K1762 HydrophobicContact CD1-CG 3.88Å; F957-K1762 HydrophobicContact CD2-CB 3.09Å; F957-K1762 HydrophobicContact CD2-CG 4.42Å; F957-K1762 WeakPolarHBondContact CD2-O 3.33Å; F957-K1762 HydrophobicContact CE1-CB 3.57Å; F957-K1762 HydrophobicContact CE1-CD 3.5Å; F957-K1762 HydrophobicContact CE1-CG 3.97Å; F957-K1762 HydrophobicContact CE2-CB 3.38Å; F957-K1762 HydrophobicContact CE2-CG 4.49Å; F957-K1762 HydrophobicContact CG-CB 2.93Å; F957-K1762 HydrophobicContact CG-CD 4.04Å; F957-K1762 HydrophobicContact CG-CG 4.02Å; F957-K1762 HydrophobicContact CZ-CB 3.57Å; F957-K1762 HydrophobicContact CZ-CD 4.22Å; F957-K1762 HydrophobicContact CZ-CG 4.22Å; F957-K1762 VanDerWaalsContact N-CA 3.26Å; F957-K1762 VanDerWaalsContact N-CB 3.28Å; K958-K1762 PolarHBondContact O-NZ 3.18Å; K958-K1762 VanDerWaalsContact O-NZ 3.08Å; G960-K1762 VanDerWaalsContact C-NZ 3.3Å; G960-K1762 PolarHBondContact O-NZ 3.18Å; G960-K1762 VanDerWaalsContact O-NZ 3.09Å; Q961-K1762 WeakPolarHBondContact O-CE 3.37Å; Q961-K1762 PolarHBondContact O-NZ 3.25Å; P962-K1762 HydrophobicContact CB-CD 4.48Å; E1682-K1762 VanDerWaalsContact OE2-CA 3.31Å; E1682-K1762 WeakPolarHBondContact OE2-CA 3.48Å; A1735-K1762 HydrophobicContact CB-CB 4.05Å; A1735-K1762 HydrophobicContact CB-CD 4.06Å; A1735-K1762 VanDerWaalsContact CB-CD 3.44Å; A1735-K1762 VanDerWaalsContact CB-CE 3.42Å; A1735-K1762 HydrophobicContact CB-CG 3.71Å; A1735-K1762 VanDerWaalsContact CB-CG 3.48Å; I1760-K1762 WeakPolarHBondContact O-CG 3.4Å; I1760-K1762 PolarHBondContact O-N 3.07Å; I1760-K1762 VanDerWaalsContact O-N 3.16Å; K1762-A1764 PolarHBondContact O-N 2.81Å | ||
| 1763 | Q | 51.5 | Low | 64.2 | Low | 93.8 Ų | 93.8 | 84.1 Ų | 84.1 | 44% | 0.438 | 47% | 0.465 | S | S | . | . | trans | -77.4 | 135.8 | 165.9 | -83.7 | -167.6 | 12.4 | 0 | 0 | 109.2 | F922 L926 C942 A955 W956 F957 E1681 E1682 Q1761 S1765 | F922-Q1763 HydrophobicContact CE1-CG 4.05Å; F922-Q1763 HydrophobicContact CZ-CG 4.42Å; L926-Q1763 VanDerWaalsContact CD1-C 3.48Å; L926-Q1763 HydrophobicContact CD1-CB 3.62Å; L926-Q1763 HydrophobicContact CD1-CG 3.74Å; L926-Q1763 VanDerWaalsContact CD1-OE1 3.25Å; C942-Q1763 HydrophobicContact CB-CG 4.46Å; C942-Q1763 PolarHBondContact SG-NE2 2.9Å; C942-Q1763 PolarHBondContact SG-OE1 2.84Å; A955-Q1763 WeakPolarHBondContact O-CA 3.13Å; A955-Q1763 WeakPolarHBondContact O-CB 3.3Å; A955-Q1763 PolarHBondContact O-N 3.39Å; W956-Q1763 CarbonylContact C-O 3.49Å; W956-Q1763 VanDerWaalsContact CA-CB 3.47Å; W956-Q1763 WeakPolarHBondContact CA-O 3.42Å; W956-Q1763 HydrophobicContact CB-CB 4.18Å; W956-Q1763 HydrophobicContact CD2-CB 3.64Å; W956-Q1763 HydrophobicContact CD2-CG 4.43Å; W956-Q1763 VanDerWaalsContact CE2-CD 3.48Å; W956-Q1763 VanDerWaalsContact CE2-OE1 3.27Å; W956-Q1763 HydrophobicContact CE3-CB 3.76Å; W956-Q1763 HydrophobicContact CG-CB 3.78Å; W956-Q1763 HydrophobicContact CZ3-CB 4.3Å; F957-Q1763 PolarHBondContact N-O 2.96Å; E1681-Q1763 PolarHBondContact OE1-NE2 2.79Å; E1681-Q1763 PolarHBondContact OE2-NE2 2.99Å; E1682-Q1763 PolarHBondContact OE2-N 2.81Å; Q1761-Q1763 PolarHBondContact O-N 3.16Å; Q1761-Q1763 VanDerWaalsContact O-N 3.15Å; Q1763-S1765 PolarHBondContact O-N 2.82Å; Q1763-S1765 VanDerWaalsContact O-N 3.09Å | ||
| 1764 | A | 45.2 | Very low | 62.4 | Low | 77.4 Ų | 77.4 | 84.8 Ų | 84.8 | 64% | 0.64 | 47% | 0.467 | S | S | * | . | trans | -89.8 | 64.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L926 K1762 I1766 | L926-A1764 WeakPolarHBondContact CB-O 3.31Å; L926-A1764 VanDerWaalsContact CD1-C 3.46Å; K1762-A1764 PolarHBondContact O-N 2.81Å; A1764-I1766 PolarHBondContact O-N 3.02Å | ||
| 1765 | S | 39.9 | Very low | 60.4 | Low | 70.6 Ų | 70.6 | 86.4 Ų | 86.4 | 49% | 0.494 | 48% | 0.478 | S | S | . | . | trans | -91.3 | 118.6 | 177.6 | -135.6 | 0 | 0 | 0 | 0 | 113.8 | L926 Q927 N928 Q1763 L1767 S1768 | L926-S1765 VanDerWaalsContact C-CB 3.46Å; L926-S1765 CarbonylContact C-O 3.59Å; L926-S1765 CarbonylContact O-C 3.54Å; L926-S1765 WeakPolarHBondContact O-CB 3.31Å; Q927-S1765 CarbonylContact C-O 3.54Å; Q927-S1765 WeakPolarHBondContact CA-O 3.28Å; Q927-S1765 PolarHBondContact N-O 2.81Å; N928-S1765 PolarHBondContact N-O 3.3Å; Q1763-S1765 PolarHBondContact O-N 2.82Å; Q1763-S1765 VanDerWaalsContact O-N 3.09Å; S1765-L1767 VanDerWaalsContact C-N 3.27Å; S1765-L1767 PolarHBondContact O-N 3Å; S1765-L1767 VanDerWaalsContact O-N 3.15Å; S1765-S1768 PolarHBondContact O-N 2.81Å | ||
| 1766 | I | 44 | Very low | 58.6 | Low | 111.8 Ų | 111.8 | 90.2 Ų | 90.2 | 57% | 0.573 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -74.2 | 8.8 | -176.3 | -60.9 | 167.1 | 0 | 0 | 0 | 112.4 | N928 A1764 S1768 L1782 | N928-I1766 WeakPolarHBondContact OD1-CB 3.37Å; N928-I1766 WeakPolarHBondContact OD1-CG2 3.39Å; A1764-I1766 PolarHBondContact O-N 3.02Å; I1766-S1768 VanDerWaalsContact C-N 3.31Å; I1766-S1768 PolarHBondContact O-N 2.95Å; I1766-L1782 HydrophobicContact CD1-CD1 4.42Å |
| 1767 | L | 43.6 | Very low | 57.2 | Low | 152 Ų | 152 | 96 Ų | 96 | 80% | 0.796 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -92.9 | 27.8 | -161 | -72.8 | 157 | 0 | 0 | 0 | 114.6 | N928 S1765 A1769 | N928-L1767 VanDerWaalsContact CB-N 3.28Å; N928-L1767 VanDerWaalsContact ND2-C 3.32Å; N928-L1767 PolarHBondContact ND2-O 3.21Å; N928-L1767 PolarHBondContact OD1-N 2.86Å; S1765-L1767 VanDerWaalsContact C-N 3.27Å; S1765-L1767 PolarHBondContact O-N 3Å; S1765-L1767 VanDerWaalsContact O-N 3.15Å; L1767-A1769 VanDerWaalsContact C-N 3.34Å; L1767-A1769 PolarHBondContact O-N 2.91Å |
| 1768 | S | 40 | Very low | 55.6 | Low | 89.6 Ų | 89.6 | 101.1 Ų | 101.1 | 63% | 0.627 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -107.8 | 10.7 | -177.1 | 94.1 | 0 | 0 | 0 | 0 | 116.8 | D930 S1765 I1766 | D930-S1768 WeakPolarHBondContact OD2-CB 3.28Å; D930-S1768 PolarHBondContact OD2-N 3.26Å; D930-S1768 PolarHBondContact OD2-OG 3Å; S1765-S1768 PolarHBondContact O-N 2.81Å; I1766-S1768 VanDerWaalsContact C-N 3.31Å; I1766-S1768 PolarHBondContact O-N 2.95Å |
| 1769 | A | 39.5 | Very low | 54.3 | Low | 68 Ų | 68 | 104.1 Ų | 104.1 | 56% | 0.562 | 54% | 0.543 | S | S | * | . | trans | -145 | 103.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | L1767 Q1771 | L1767-A1769 VanDerWaalsContact C-N 3.34Å; L1767-A1769 PolarHBondContact O-N 2.91Å; A1769-Q1771 VanDerWaalsContact C-N 3.29Å; A1769-Q1771 PolarHBondContact O-N 2.82Å; A1769-Q1771 VanDerWaalsContact O-N 3.15Å | ||
| 1770 | P | 43.7 | Very low | 53.1 | Low | 99.6 Ų | 99.6 | 104.1 Ų | 104.1 | 65% | 0.647 | 55% | 0.546 | S | S | * | . | trans | -84.6 | 45.5 | 178.4 | 29.9 | -30.9 | 0 | 0 | 0 | 114.4 | H1772 W1776 | P1770-H1772 PolarHBondContact O-N 2.75Å; P1770-H1772 VanDerWaalsContact O-N 3.08Å; P1770-W1776 HydrophobicContact CB-CB 4.29Å; P1770-W1776 HydrophobicContact CB-CG 4.42Å; P1770-W1776 HydrophobicContact CG-CB 4.34Å; P1770-W1776 HydrophobicContact CG-CG 4.26Å | ||
| 1771 | Q | 46.1 | Very low | 52.1 | Low | 189.6 Ų | 189.6 | 107.6 Ų | 107.6 | 89% | 0.886 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | 17.6 | -176.8 | -71 | -173 | -11.9 | 0 | 0 | 114.6 | A1769 | A1769-Q1771 VanDerWaalsContact C-N 3.29Å; A1769-Q1771 PolarHBondContact O-N 2.82Å; A1769-Q1771 VanDerWaalsContact O-N 3.15Å |
| 1772 | H | 46.1 | Very low | 51.3 | Low | 126.4 Ų | 126.4 | 108.9 Ų | 108.9 | 59% | 0.585 | 58% | 0.575 | S | S | * | * | trans | -123.5 | 124.3 | 176.8 | -143.3 | -101.5 | 0 | 0 | 0 | 113.1 | P1770 S1774 S1775 W1776 | P1770-H1772 PolarHBondContact O-N 2.75Å; P1770-H1772 VanDerWaalsContact O-N 3.08Å; H1772-S1774 VanDerWaalsContact C-N 3.29Å; H1772-S1774 PolarHBondContact CE1-OG 2.9Å; H1772-S1774 PolarHBondContact ND1-N 2.83Å; H1772-S1774 PolarHBondContact ND1-OG 2.89Å; H1772-S1774 PolarHBondContact O-N 2.81Å; H1772-S1774 VanDerWaalsContact O-N 3.12Å; H1772-S1775 WeakPolarHBondContact O-CA 3.43Å; H1772-S1775 VanDerWaalsContact O-CB 3.27Å; H1772-S1775 WeakPolarHBondContact O-CB 3.44Å; H1772-S1775 PolarHBondContact O-N 3.13Å; H1772-S1775 PolarHBondContact O-OG 2.93Å; H1772-W1776 PolarHBondContact O-N 3.2Å; H1772-W1776 VanDerWaalsContact O-N 3.13Å | ||
| 1773 | E | 52.7 | Low | 51.3 | Low | 155 Ų | 155 | 109.4 Ų | 109.4 | 72% | 0.724 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -53.9 | -35 | -177 | -168 | 84.2 | -160.5 | 0 | 0 | 113.3 | S1775 W1776 Q1777 | E1773-S1775 VanDerWaalsContact C-N 3.32Å; E1773-S1775 PolarHBondContact O-N 3.09Å; E1773-S1775 VanDerWaalsContact O-N 3.15Å; E1773-W1776 PolarHBondContact O-N 2.94Å; E1773-W1776 VanDerWaalsContact O-N 3.17Å; E1773-Q1777 PolarHBondContact O-N 3.28Å; E1773-Q1777 VanDerWaalsContact O-N 3.1Å |
| 1774 | S | 54.8 | Low | 51.2 | Low | 74 Ų | 74 | 110.9 Ų | 110.9 | 52% | 0.517 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.4 | -22.4 | 177.8 | 60.2 | 0 | 0 | 0 | 0 | 114.3 | H1772 W1776 K1778 | H1772-S1774 VanDerWaalsContact C-N 3.29Å; H1772-S1774 PolarHBondContact CE1-OG 2.9Å; H1772-S1774 PolarHBondContact ND1-N 2.83Å; H1772-S1774 PolarHBondContact ND1-OG 2.89Å; H1772-S1774 PolarHBondContact O-N 2.81Å; H1772-S1774 VanDerWaalsContact O-N 3.12Å; S1774-W1776 VanDerWaalsContact C-N 3.34Å; S1774-W1776 PolarHBondContact O-N 2.92Å; S1774-K1778 WeakPolarHBondContact O-CB 3.49Å; S1774-K1778 PolarHBondContact O-N 2.83Å; S1774-K1778 VanDerWaalsContact O-N 3.09Å |
| 1775 | S | 49.8 | Very low | 51.1 | Low | 45 Ų | 45 | 112.8 Ų | 112.8 | 32% | 0.315 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.8 | -35.6 | 179.9 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | H1772 E1773 Q1777 K1778 I1779 | H1772-S1775 WeakPolarHBondContact O-CA 3.43Å; H1772-S1775 VanDerWaalsContact O-CB 3.27Å; H1772-S1775 WeakPolarHBondContact O-CB 3.44Å; H1772-S1775 PolarHBondContact O-N 3.13Å; H1772-S1775 PolarHBondContact O-OG 2.93Å; E1773-S1775 VanDerWaalsContact C-N 3.32Å; E1773-S1775 PolarHBondContact O-N 3.09Å; E1773-S1775 VanDerWaalsContact O-N 3.15Å; S1775-Q1777 VanDerWaalsContact C-N 3.31Å; S1775-Q1777 PolarHBondContact O-N 2.77Å; S1775-K1778 PolarHBondContact O-N 3.05Å; S1775-K1778 VanDerWaalsContact O-N 3.13Å; S1775-I1779 WeakPolarHBondContact O-CB 3.37Å; S1775-I1779 WeakPolarHBondContact O-CG1 3.33Å; S1775-I1779 PolarHBondContact O-N 3.17Å; S1775-I1779 VanDerWaalsContact O-N 3.09Å |
| 1776 | W | 54.7 | Low | 51.3 | Low | 146.6 Ų | 146.6 | 118.3 Ų | 118.3 | 56% | 0.555 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.7 | -37.3 | 177.1 | -100.9 | 128.3 | 0 | 0 | 0 | 113.1 | P1770 H1772 E1773 S1774 K1778 I1779 K1780 | P1770-W1776 HydrophobicContact CB-CB 4.29Å; P1770-W1776 HydrophobicContact CB-CG 4.42Å; P1770-W1776 HydrophobicContact CG-CB 4.34Å; P1770-W1776 HydrophobicContact CG-CG 4.26Å; H1772-W1776 PolarHBondContact O-N 3.2Å; H1772-W1776 VanDerWaalsContact O-N 3.13Å; E1773-W1776 PolarHBondContact O-N 2.94Å; E1773-W1776 VanDerWaalsContact O-N 3.17Å; S1774-W1776 VanDerWaalsContact C-N 3.34Å; S1774-W1776 PolarHBondContact O-N 2.92Å; W1776-K1778 VanDerWaalsContact C-N 3.34Å; W1776-K1778 PolarHBondContact O-N 2.98Å; W1776-I1779 HydrophobicContact CE3-CB 4.42Å; W1776-I1779 HydrophobicContact CE3-CD1 4.29Å; W1776-I1779 HydrophobicContact CE3-CG2 4.48Å; W1776-I1779 HydrophobicContact CZ3-CD1 4.4Å; W1776-I1779 HydrophobicContact CZ3-CG2 4.27Å; W1776-I1779 PolarHBondContact O-N 3.04Å; W1776-K1780 HydrophobicContact CE3-CD 4.34Å; W1776-K1780 HydrophobicContact CE3-CG 4.04Å; W1776-K1780 HydrophobicContact CZ3-CD 4.42Å; W1776-K1780 HydrophobicContact CZ3-CG 3.96Å; W1776-K1780 WeakPolarHBondContact O-CB 3.41Å; W1776-K1780 PolarHBondContact O-N 2.91Å; W1776-K1780 VanDerWaalsContact O-N 3.08Å |
| 1777 | Q | 62.7 | Low | 51.3 | Low | 121.4 Ų | 121.4 | 119.7 Ų | 119.7 | 57% | 0.567 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.4 | -40 | 176.4 | -151.7 | 71.9 | 22 | 0 | 0 | 111.6 | E1773 S1775 I1779 K1780 D1781 | E1773-Q1777 PolarHBondContact O-N 3.28Å; E1773-Q1777 VanDerWaalsContact O-N 3.1Å; S1775-Q1777 VanDerWaalsContact C-N 3.31Å; S1775-Q1777 PolarHBondContact O-N 2.77Å; Q1777-I1779 PolarHBondContact O-N 3.27Å; Q1777-K1780 PolarHBondContact O-N 3.01Å; Q1777-D1781 PolarHBondContact O-N 3.1Å; Q1777-D1781 VanDerWaalsContact O-N 3.12Å |
| 1778 | K | 58 | Low | 51 | Low | 146.4 Ų | 146.4 | 116.6 Ų | 116.6 | 64% | 0.637 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.1 | -36.8 | 178.6 | -103.8 | 176.3 | 177 | -179.5 | 0 | 112.9 | S1774 S1775 W1776 K1780 D1781 L1782 | S1774-K1778 WeakPolarHBondContact O-CB 3.49Å; S1774-K1778 PolarHBondContact O-N 2.83Å; S1774-K1778 VanDerWaalsContact O-N 3.09Å; S1775-K1778 PolarHBondContact O-N 3.05Å; S1775-K1778 VanDerWaalsContact O-N 3.13Å; W1776-K1778 VanDerWaalsContact C-N 3.34Å; W1776-K1778 PolarHBondContact O-N 2.98Å; K1778-K1780 VanDerWaalsContact C-N 3.32Å; K1778-K1780 PolarHBondContact O-N 2.91Å; K1778-D1781 CarbonylContact O-C 3.39Å; K1778-D1781 PolarHBondContact O-N 3.06Å; K1778-D1781 VanDerWaalsContact O-N 3.16Å; K1778-L1782 WeakPolarHBondContact O-CB 3.21Å; K1778-L1782 WeakPolarHBondContact O-CD1 3.33Å; K1778-L1782 VanDerWaalsContact O-CG 3.25Å; K1778-L1782 WeakPolarHBondContact O-CG 3.41Å; K1778-L1782 PolarHBondContact O-N 2.92Å |
| 1779 | I | 62 | Low | 50.9 | Low | 63.8 Ų | 63.8 | 119.6 Ų | 119.6 | 33% | 0.327 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -61.5 | -47.6 | 174.2 | -67.2 | 166.1 | 0 | 0 | 0 | 109.8 | S1775 W1776 Q1777 D1781 L1782 E1783 | S1775-I1779 WeakPolarHBondContact O-CB 3.37Å; S1775-I1779 WeakPolarHBondContact O-CG1 3.33Å; S1775-I1779 PolarHBondContact O-N 3.17Å; S1775-I1779 VanDerWaalsContact O-N 3.09Å; W1776-I1779 HydrophobicContact CE3-CB 4.42Å; W1776-I1779 HydrophobicContact CE3-CD1 4.29Å; W1776-I1779 HydrophobicContact CE3-CG2 4.48Å; W1776-I1779 HydrophobicContact CZ3-CD1 4.4Å; W1776-I1779 HydrophobicContact CZ3-CG2 4.27Å; W1776-I1779 PolarHBondContact O-N 3.04Å; Q1777-I1779 PolarHBondContact O-N 3.27Å; I1779-D1781 VanDerWaalsContact C-N 3.26Å; I1779-D1781 PolarHBondContact O-N 2.83Å; I1779-D1781 VanDerWaalsContact O-N 3.13Å; I1779-L1782 CarbonylContact O-C 3.21Å; I1779-L1782 WeakPolarHBondContact O-CA 3.33Å; I1779-L1782 WeakPolarHBondContact O-CB 3.27Å; I1779-L1782 PolarHBondContact O-N 2.91Å; I1779-L1782 VanDerWaalsContact O-N 3.1Å; I1779-E1783 HydrophobicContact CG2-CG 4.22Å; I1779-E1783 VanDerWaalsContact CG2-OE1 3.29Å; I1779-E1783 WeakPolarHBondContact CG2-OE1 3.43Å; I1779-E1783 WeakPolarHBondContact O-CB 3.38Å; I1779-E1783 WeakPolarHBondContact O-CG 3.37Å; I1779-E1783 PolarHBondContact O-N 3.24Å |
| 1780 | K | 63.2 | Low | 50.9 | Low | 125 Ų | 125 | 125.7 Ų | 125.7 | 54% | 0.543 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63 | -22.6 | 175.5 | -83.5 | -178.8 | 174.9 | 172.3 | 0 | 115.2 | W1776 Q1777 K1778 K1784 | W1776-K1780 HydrophobicContact CE3-CD 4.34Å; W1776-K1780 HydrophobicContact CE3-CG 4.04Å; W1776-K1780 HydrophobicContact CZ3-CD 4.42Å; W1776-K1780 HydrophobicContact CZ3-CG 3.96Å; W1776-K1780 WeakPolarHBondContact O-CB 3.41Å; W1776-K1780 PolarHBondContact O-N 2.91Å; W1776-K1780 VanDerWaalsContact O-N 3.08Å; Q1777-K1780 PolarHBondContact O-N 3.01Å; K1778-K1780 VanDerWaalsContact C-N 3.32Å; K1778-K1780 PolarHBondContact O-N 2.91Å; K1780-K1784 WeakPolarHBondContact O-CE 3.42Å; K1780-K1784 WeakPolarHBondContact O-CG 3.21Å; K1780-K1784 PolarHBondContact O-N 3.11Å |
| 1781 | D | 65.4 | Low | 50.8 | Low | 86.6 Ų | 86.6 | 126.5 Ų | 126.5 | 46% | 0.463 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -86.4 | -23.1 | 174.6 | -75.7 | -33.2 | 0 | 0 | 0 | 112.7 | Q1777 K1778 I1779 K1784 | Q1777-D1781 PolarHBondContact O-N 3.1Å; Q1777-D1781 VanDerWaalsContact O-N 3.12Å; K1778-D1781 CarbonylContact O-C 3.39Å; K1778-D1781 PolarHBondContact O-N 3.06Å; K1778-D1781 VanDerWaalsContact O-N 3.16Å; I1779-D1781 VanDerWaalsContact C-N 3.26Å; I1779-D1781 PolarHBondContact O-N 2.83Å; I1779-D1781 VanDerWaalsContact O-N 3.13Å; D1781-K1784 WeakPolarHBondContact OD1-CE 3.5Å; D1781-K1784 IonicContact OD1-NZ 3.08Å; D1781-K1784 PolarHBondContact OD1-NZ 3.09Å |
| 1782 | L | 56.3 | Low | 50.5 | Low | 120.6 Ų | 120.6 | 122 Ų | 122 | 63% | 0.631 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -83.5 | -28.4 | 173.9 | -70.7 | 166.6 | 0 | 0 | 0 | 112.9 | I1766 K1778 I1779 K1784 | I1766-L1782 HydrophobicContact CD1-CD1 4.42Å; K1778-L1782 WeakPolarHBondContact O-CB 3.21Å; K1778-L1782 WeakPolarHBondContact O-CD1 3.33Å; K1778-L1782 VanDerWaalsContact O-CG 3.25Å; K1778-L1782 WeakPolarHBondContact O-CG 3.41Å; K1778-L1782 PolarHBondContact O-N 2.92Å; I1779-L1782 CarbonylContact O-C 3.21Å; I1779-L1782 WeakPolarHBondContact O-CA 3.33Å; I1779-L1782 WeakPolarHBondContact O-CB 3.27Å; I1779-L1782 PolarHBondContact O-N 2.91Å; I1779-L1782 VanDerWaalsContact O-N 3.1Å; L1782-K1784 VanDerWaalsContact C-N 3.34Å; L1782-K1784 PolarHBondContact O-N 2.95Å |
| 1783 | E | 57.2 | Low | 50.5 | Low | 134.4 Ų | 134.4 | 124.9 Ų | 124.9 | 63% | 0.628 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -73.3 | -4.9 | 175.2 | -70.8 | 173.7 | 159.6 | 0 | 0 | 113.7 | I1779 P1785 | I1779-E1783 HydrophobicContact CG2-CG 4.22Å; I1779-E1783 VanDerWaalsContact CG2-OE1 3.29Å; I1779-E1783 WeakPolarHBondContact CG2-OE1 3.43Å; I1779-E1783 WeakPolarHBondContact O-CB 3.38Å; I1779-E1783 WeakPolarHBondContact O-CG 3.37Å; I1779-E1783 PolarHBondContact O-N 3.24Å; E1783-P1785 VanDerWaalsContact O-CD 3.27Å; E1783-P1785 WeakPolarHBondContact O-CD 3.26Å |
| 1784 | K | 50 | Low | 50.3 | Low | 125.4 Ų | 125.4 | 125.2 Ų | 125.2 | 55% | 0.545 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -79 | 126.4 | 174.5 | -73.7 | 168.8 | -173.1 | 162.3 | 0 | 109.9 | K1780 D1781 L1782 K1786 | K1780-K1784 WeakPolarHBondContact O-CE 3.42Å; K1780-K1784 WeakPolarHBondContact O-CG 3.21Å; K1780-K1784 PolarHBondContact O-N 3.11Å; D1781-K1784 WeakPolarHBondContact OD1-CE 3.5Å; D1781-K1784 IonicContact OD1-NZ 3.08Å; D1781-K1784 PolarHBondContact OD1-NZ 3.09Å; L1782-K1784 VanDerWaalsContact C-N 3.34Å; L1782-K1784 PolarHBondContact O-N 2.95Å; K1784-K1786 PolarHBondContact O-N 2.99Å |
| 1785 | P | 43.2 | Very low | 50.4 | Low | 117.6 Ų | 117.6 | 126.3 Ų | 126.3 | 76% | 0.764 | 66% | 0.657 | S | S | * | * | trans | -63.1 | 119.3 | 180 | 7.4 | -8.2 | 0 | 0 | 0 | 110.9 | L1712 E1783 V1787 | L1712-P1785 HydrophobicContact CD1-CG 4.32Å; E1783-P1785 VanDerWaalsContact O-CD 3.27Å; E1783-P1785 WeakPolarHBondContact O-CD 3.26Å; P1785-V1787 PolarHBondContact O-N 2.8Å; P1785-V1787 VanDerWaalsContact O-N 3.11Å | ||
| 1786 | K | 43.8 | Very low | 51.2 | Low | 185 Ų | 185 | 130.1 Ų | 130.1 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | -80 | 122.5 | 177.3 | -95.8 | -175.1 | 176.9 | -178.4 | 0 | 110.4 | K1784 A1788 D1789 | K1784-K1786 PolarHBondContact O-N 2.99Å; K1786-A1788 PolarHBondContact O-N 3.26Å; K1786-D1789 WeakPolarHBondContact CE-OD2 3.28Å; K1786-D1789 IonicContact NZ-OD2 2.7Å; K1786-D1789 PolarHBondContact NZ-OD2 2.93Å | ||
| 1787 | V | 44.6 | Very low | 52 | Low | 141 Ų | 141 | 126.8 Ų | 126.8 | 86% | 0.855 | 66% | 0.661 | S | S | * | * | trans | -73.3 | 127.6 | 176.1 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | P1785 D1789 | P1785-V1787 PolarHBondContact O-N 2.8Å; P1785-V1787 VanDerWaalsContact O-N 3.11Å; V1787-D1789 PolarHBondContact O-N 2.93Å; V1787-D1789 VanDerWaalsContact O-N 3.11Å | ||
| 1788 | A | 36.5 | Very low | 52.8 | Low | 88.2 Ų | 88.2 | 122.4 Ų | 122.4 | 73% | 0.729 | 65% | 0.648 | S | S | * | * | trans | -58.7 | 129 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1786 | K1786-A1788 PolarHBondContact O-N 3.26Š| ||
| 1789 | D | 38.3 | Very low | 54 | Low | 152.6 Ų | 152.6 | 120 Ų | 120 | 82% | 0.816 | 65% | 0.646 | S | S | * | * | trans | -132.6 | 117.8 | 162.5 | -91.3 | -35.4 | 0 | 0 | 0 | 112.8 | K1786 V1787 | K1786-D1789 WeakPolarHBondContact CE-OD2 3.28Å; K1786-D1789 IonicContact NZ-OD2 2.7Å; K1786-D1789 PolarHBondContact NZ-OD2 2.93Å; V1787-D1789 PolarHBondContact O-N 2.93Å; V1787-D1789 VanDerWaalsContact O-N 3.11Å | ||
| 1790 | K | 39.5 | Very low | 55.3 | Low | 195 Ų | 195 | 117.3 Ų | 117.3 | 85% | 0.848 | 63% | 0.632 | S | S | * | * | trans | -96.1 | 145.4 | 158.8 | -77.8 | -177 | 177.3 | -178.1 | 0 | 114.8 | A1792 | K1790-A1792 PolarHBondContact O-N 3.37Š| ||
| 1791 | P | 42.1 | Very low | 56.4 | Low | 117 Ų | 117 | 113.7 Ų | 113.7 | 76% | 0.76 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 153.4 | -179.2 | 31.7 | -33 | 0 | 0 | 0 | 112 | E1793 | P1791-E1793 PolarHBondContact O-N 2.86Š|
| 1792 | A | 39.8 | Very low | 57.5 | Low | 94.4 Ų | 94.4 | 110.6 Ų | 110.6 | 78% | 0.78 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -77 | 146.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | K1790 E1794 | K1790-A1792 PolarHBondContact O-N 3.37Å; A1792-E1794 PolarHBondContact O-N 2.9Å |
| 1793 | E | 45.5 | Very low | 59 | Low | 187.6 Ų | 187.6 | 108.8 Ų | 108.8 | 88% | 0.877 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 133.7 | -179.4 | -65.4 | 177.7 | 160.5 | 0 | 0 | 110.8 | P1791 V1795 | P1791-E1793 PolarHBondContact O-N 2.86Å; E1793-V1795 PolarHBondContact O-N 3.07Å; E1793-V1795 VanDerWaalsContact O-N 3.09Å |
| 1794 | E | 48.6 | Very low | 60.5 | Low | 162 Ų | 162 | 103.8 Ų | 103.8 | 76% | 0.757 | 59% | 0.586 | S | S | * | * | trans | -78.2 | 121.7 | -179.1 | -61.5 | -172.1 | 142.5 | 0 | 0 | 110.1 | A1792 D1796 R1879 | A1792-E1794 PolarHBondContact O-N 2.9Å; E1794-D1796 PolarHBondContact O-N 2.88Å; E1794-R1879 VanDerWaalsContact CD-NH1 3.34Å; E1794-R1879 IonicContact OE1-CZ 3.43Å; E1794-R1879 IonicContact OE1-NH1 3.19Å; E1794-R1879 PolarHBondContact OE1-NH1 2.83Å; E1794-R1879 IonicContact OE1-NH2 2.66Å; E1794-R1879 PolarHBondContact OE1-NH2 2.91Å; E1794-R1879 IonicContact OE2-NH1 3.46Å; E1794-R1879 PolarHBondContact OE2-NH1 2.85Å | ||
| 1795 | V | 57 | Low | 62.4 | Low | 97.2 Ų | 97.2 | 103.6 Ų | 103.6 | 59% | 0.589 | 59% | 0.586 | S | S | * | * | trans | -76 | 120.9 | 173.2 | 179 | 0 | 0 | 0 | 0 | 108.6 | E1793 Y1797 R1879 | E1793-V1795 PolarHBondContact O-N 3.07Å; E1793-V1795 VanDerWaalsContact O-N 3.09Å; V1795-Y1797 HydrophobicContact CB-CD2 4.42Å; V1795-Y1797 HydrophobicContact CB-CE2 3.92Å; V1795-Y1797 HydrophobicContact CG1-CD1 4.34Å; V1795-Y1797 HydrophobicContact CG1-CD2 4.27Å; V1795-Y1797 HydrophobicContact CG1-CE1 4.08Å; V1795-Y1797 HydrophobicContact CG1-CE2 3.99Å; V1795-Y1797 HydrophobicContact CG1-CG 4.44Å; V1795-Y1797 VanDerWaalsContact O-CD2 3.26Å; V1795-Y1797 WeakPolarHBondContact O-CD2 3.39Å; V1795-Y1797 WeakPolarHBondContact O-CE2 3.43Å; V1795-Y1797 PolarHBondContact O-N 3.41Å; V1795-R1879 PolarHBondContact O-NH2 3.17Å | ||
| 1796 | D | 67.4 | Low | 64.6 | Low | 123.4 Ų | 123.4 | 98.5 Ų | 98.5 | 66% | 0.66 | 55% | 0.553 | S | S | * | * | trans | -81.7 | 112 | 171.2 | -176.2 | 9.2 | 0 | 0 | 0 | 109.3 | E1794 G1798 S1880 | E1794-D1796 PolarHBondContact O-N 2.88Å; D1796-G1798 VanDerWaalsContact C-N 3.3Å; D1796-G1798 PolarHBondContact O-N 3.05Å; D1796-G1798 VanDerWaalsContact O-N 3.17Å; D1796-G1798 PolarHBondContact OD1-N 2.87Å; D1796-S1880 PolarHBondContact OD1-OG 3.06Å | ||
| 1797 | Y | 71.5 | Confident | 66.7 | Low | 79 Ų | 79 | 94.6 Ų | 94.6 | 31% | 0.31 | 54% | 0.541 | S | S | . | . | trans | -83.4 | -4.2 | -179.9 | -70.9 | -86.8 | 0 | 0 | 0 | 113 | R1049 V1795 P1825 D1827 D1828 P1829 | R1049-Y1797 PolarHBondContact NH2-OH 3.26Å; V1795-Y1797 HydrophobicContact CB-CD2 4.42Å; V1795-Y1797 HydrophobicContact CB-CE2 3.92Å; V1795-Y1797 HydrophobicContact CG1-CD1 4.34Å; V1795-Y1797 HydrophobicContact CG1-CD2 4.27Å; V1795-Y1797 HydrophobicContact CG1-CE1 4.08Å; V1795-Y1797 HydrophobicContact CG1-CE2 3.99Å; V1795-Y1797 HydrophobicContact CG1-CG 4.44Å; V1795-Y1797 VanDerWaalsContact O-CD2 3.26Å; V1795-Y1797 WeakPolarHBondContact O-CD2 3.39Å; V1795-Y1797 WeakPolarHBondContact O-CE2 3.43Å; V1795-Y1797 PolarHBondContact O-N 3.41Å; Y1797-P1825 HydrophobicContact CD1-CB 4.31Å; Y1797-P1825 HydrophobicContact CD1-CG 4.16Å; Y1797-P1825 HydrophobicContact CG-CG 4.27Å; Y1797-P1825 WeakPolarHBondContact O-CD 3.38Å; Y1797-P1825 VanDerWaalsContact O-CG 3.31Å; Y1797-P1825 WeakPolarHBondContact O-CG 3.24Å; Y1797-D1827 HydrophobicContact CE1-CB 4.39Å; Y1797-D1827 VanDerWaalsContact CE1-O 3.28Å; Y1797-D1827 WeakPolarHBondContact CE1-O 3.23Å; Y1797-D1828 WeakPolarHBondContact CB-OD2 3.24Å; Y1797-D1828 HydrophobicContact CD1-CB 3.84Å; Y1797-D1828 HydrophobicContact CD2-CB 4.24Å; Y1797-D1828 WeakPolarHBondContact CD2-OD1 3.49Å; Y1797-D1828 HydrophobicContact CE1-CB 4.31Å; Y1797-D1828 HydrophobicContact CG-CB 3.73Å; Y1797-P1829 HydrophobicContact CE2-CG 4.4Å; Y1797-P1829 WeakPolarHBondContact OH-CD 3.26Å | ||
| 1798 | G | 78.4 | Confident | 69 | Low | 27.2 Ų | 27.2 | 93.4 Ų | 93.4 | 28% | 0.28 | 53% | 0.53 | S | S | . | . | trans | 70.8 | 175.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1796 N1878 S1880 | D1796-G1798 VanDerWaalsContact C-N 3.3Å; D1796-G1798 PolarHBondContact O-N 3.05Å; D1796-G1798 VanDerWaalsContact O-N 3.17Å; D1796-G1798 PolarHBondContact OD1-N 2.87Å; G1798-N1878 PolarHBondContact O-ND2 3.07Å; G1798-N1878 PolarHBondContact O-OD1 2.82Å; G1798-S1880 VanDerWaalsContact C-CB 3.48Å; G1798-S1880 WeakPolarHBondContact O-CB 3.32Å | ||
| 1799 | T | 84.6 | Confident | 71.5 | Confident | 96.8 Ų | 96.8 | 90.5 Ų | 90.5 | 59% | 0.594 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -66.7 | 135.4 | 174.8 | 49 | 0 | 0 | 0 | 0 | 110.5 | A1801 S1880 | T1799-A1801 PolarHBondContact O-N 2.88Å; T1799-S1880 VanDerWaalsContact CG2-O 3.29Å; T1799-S1880 WeakPolarHBondContact CG2-O 3.35Å |
| 1800 | P | 88 | Confident | 73.9 | Confident | 6.6 Ų | 6.6 | 87.1 Ų | 87.1 | 4% | 0.043 | 49% | 0.491 | C | S | . | . | trans | -65.1 | 147.3 | 177.2 | 14.5 | -10.6 | 0 | 0 | 0 | 109.9 | S1824 L1831 V1876 N1878 G1881 A1883 | P1800-S1824 CarbonylContact C-O 3.43Å; P1800-S1824 VanDerWaalsContact CA-O 3.29Å; P1800-S1824 WeakPolarHBondContact CA-O 3.31Å; P1800-L1831 HydrophobicContact CB-CD1 4.11Å; P1800-L1831 HydrophobicContact CG-CD1 4.39Å; P1800-V1876 HydrophobicContact CB-CB 4.49Å; P1800-V1876 HydrophobicContact CB-CG1 3.96Å; P1800-V1876 HydrophobicContact CG-CG1 4.42Å; P1800-V1876 WeakPolarHBondContact CG-O 3.26Å; P1800-N1878 VanDerWaalsContact CD-OD1 3.27Å; P1800-N1878 WeakPolarHBondContact CD-OD1 3.41Å; P1800-N1878 HydrophobicContact CG-CB 4.13Å; P1800-N1878 WeakPolarHBondContact CG-OD1 3.35Å; P1800-G1881 VanDerWaalsContact CD-C 3.43Å; P1800-G1881 VanDerWaalsContact CD-O 3.23Å; P1800-G1881 WeakPolarHBondContact CD-O 3.37Å; P1800-G1881 VanDerWaalsContact CG-O 3.28Å; P1800-G1881 WeakPolarHBondContact CG-O 3.26Å; P1800-A1883 VanDerWaalsContact O-CB 3.27Å; P1800-A1883 WeakPolarHBondContact O-CB 3.37Å | ||
| 1801 | A | 87.5 | Confident | 76.3 | Confident | 49.2 Ų | 49.2 | 78.6 Ų | 78.6 | 41% | 0.407 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 136.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | T1799 T1803 Y1823 S1824 | T1799-A1801 PolarHBondContact O-N 2.88Å; A1801-T1803 PolarHBondContact O-N 3.03Å; A1801-Y1823 CarbonylContact O-C 3.53Å; A1801-Y1823 VanDerWaalsContact O-CA 3.29Å; A1801-Y1823 WeakPolarHBondContact O-CA 3.29Å; A1801-S1824 PolarHBondContact N-O 2.95Å; A1801-S1824 PolarHBondContact O-N 3.01Å |
| 1802 | V | 88.8 | Confident | 78.4 | Confident | 21.8 Ų | 21.8 | 76 Ų | 76 | 13% | 0.132 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 120.1 | 168 | 176.2 | 0 | 0 | 0 | 0 | 107.5 | A1804 Q1822 A1883 T1885 | V1802-A1804 WeakPolarHBondContact CG1-O 3.34Å; V1802-Q1822 CarbonylContact C-O 3.56Å; V1802-Q1822 WeakPolarHBondContact CA-O 3.32Å; V1802-Q1822 WeakPolarHBondContact CG1-O 3.35Å; V1802-A1883 HydrophobicContact CG2-CB 4.12Å; V1802-T1885 HydrophobicContact CG1-CG2 3.97Å; V1802-T1885 HydrophobicContact CG2-CG2 4.07Å |
| 1803 | T | 86.8 | Confident | 80.6 | Confident | 84 Ų | 84 | 73.8 Ų | 73.8 | 52% | 0.515 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -27.8 | -179.8 | 48.3 | 0 | 0 | 0 | 0 | 112.4 | A1801 Q1822 Y1823 | A1801-T1803 PolarHBondContact O-N 3.03Å; T1803-Q1822 PolarHBondContact N-O 2.89Å; T1803-Q1822 VanDerWaalsContact OG1-C 3.28Å; T1803-Q1822 VanDerWaalsContact OG1-CB 3.27Å; T1803-Q1822 WeakPolarHBondContact OG1-CB 3.38Å; T1803-Q1822 PolarHBondContact OG1-O 3.12Å; T1803-Y1823 PolarHBondContact OG1-N 3.23Å |
| 1804 | A | 88.2 | Confident | 82.3 | Confident | 29 Ų | 29 | 66.7 Ų | 66.7 | 24% | 0.24 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 125.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | V1802 C1821 Q1822 | V1802-A1804 WeakPolarHBondContact CG1-O 3.34Å; A1804-C1821 WeakPolarHBondContact O-CA 3.37Å; A1804-C1821 VanDerWaalsContact O-CB 3.23Å; A1804-C1821 WeakPolarHBondContact O-CB 3.35Å; A1804-Q1822 HydrophobicContact CB-CB 3.72Å; A1804-Q1822 HydrophobicContact CB-CG 3.84Å; A1804-Q1822 PolarHBondContact N-O 3.04Å; A1804-Q1822 PolarHBondContact O-N 3.17Å; A1804-Q1822 VanDerWaalsContact O-N 3.08Å |
| 1805 | H | 90.6 | Very high | 84.1 | Confident | 120 Ų | 120 | 62.3 Ų | 62.3 | 56% | 0.556 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -86.4 | 155.2 | -176 | -67.9 | -74.6 | 0 | 0 | 0 | 112.2 | N1807 T1885 | H1805-N1807 PolarHBondContact O-N 2.9Å; H1805-T1885 VanDerWaalsContact CA-OG1 3.3Å; H1805-T1885 WeakPolarHBondContact CA-OG1 3.33Å; H1805-T1885 WeakPolarHBondContact CB-OG1 3.25Å; H1805-T1885 PolarHBondContact ND1-OG1 2.94Å; H1805-T1885 VanDerWaalsContact ND1-OG1 3.13Å |
| 1806 | L | 90.2 | Very high | 85.7 | Confident | 12.4 Ų | 12.4 | 61.9 Ų | 61.9 | 7% | 0.065 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 138.8 | 175.8 | -66.6 | 168.7 | 0 | 0 | 0 | 110.8 | F1819 D1820 C1821 W1835 C1874 T1885 | L1806-F1819 HydrophobicContact CD2-CB 3.99Å; L1806-F1819 HydrophobicContact CD2-CD1 4.26Å; L1806-F1819 HydrophobicContact CD2-CG 4.47Å; L1806-D1820 VanDerWaalsContact CD2-O 3.27Å; L1806-D1820 WeakPolarHBondContact CD2-O 3.31Å; L1806-C1821 HydrophobicContact CD2-CB 3.93Å; L1806-C1821 HydrophobicContact CG-CB 4.22Å; L1806-W1835 HydrophobicContact CD1-CH2 4.3Å; L1806-W1835 HydrophobicContact CD1-CZ3 3.81Å; L1806-W1835 HydrophobicContact CD2-CH2 3.61Å; L1806-W1835 HydrophobicContact CD2-CZ3 3.88Å; L1806-W1835 HydrophobicContact CG-CZ3 4.47Å; L1806-C1874 HydrophobicContact CD1-CB 4.16Å; L1806-T1885 HydrophobicContact CD1-CG2 3.88Å; L1806-T1885 WeakPolarHBondContact CD1-O 3.45Å; L1806-T1885 HydrophobicContact CG-CG2 3.77Å; L1806-T1885 PolarHBondContact N-OG1 2.93Å; L1806-T1885 VanDerWaalsContact N-OG1 3.08Å |
| 1807 | N | 87.2 | Confident | 86.8 | Confident | 102.6 Ų | 102.6 | 56.2 Ų | 56.2 | 55% | 0.549 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -87.3 | 160 | 172.3 | -66.9 | -56.7 | 0 | 0 | 0 | 111.7 | H1805 F1819 G1887 | H1805-N1807 PolarHBondContact O-N 2.9Å; N1807-F1819 VanDerWaalsContact O-CE1 3.29Å; N1807-F1819 WeakPolarHBondContact O-CE1 3.36Å; N1807-G1887 WeakPolarHBondContact O-CA 3.32Å |
| 1808 | D | 91.8 | Very high | 87.8 | Confident | 115.6 Ų | 115.6 | 56.7 Ų | 56.7 | 62% | 0.618 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 139.3 | 167.2 | -69 | -33.4 | 0 | 0 | 0 | 110.3 | T1888 | D1808-T1888 CarbonylContact C-O 3.54Å; D1808-T1888 WeakPolarHBondContact CA-O 3.42Å; D1808-T1888 VanDerWaalsContact CG-OG1 3.26Å; D1808-T1888 WeakPolarHBondContact OD1-CA 3.28Å; D1808-T1888 WeakPolarHBondContact OD1-CB 3.3Å; D1808-T1888 PolarHBondContact OD1-N 2.86Å; D1808-T1888 PolarHBondContact OD1-OG1 2.9Å |
| 1809 | V | 89.6 | Confident | 88.5 | Confident | 28 Ų | 28 | 55.5 Ų | 55.5 | 17% | 0.17 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 129 | -173.6 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | V1811 A1817 H1818 F1819 T1888 L1889 K1890 | V1809-V1811 HydrophobicContact CG1-CG1 4.01Å; V1809-A1817 HydrophobicContact CG1-CB 4.05Å; V1809-H1818 WeakPolarHBondContact CG2-O 3.35Å; V1809-F1819 HydrophobicContact CB-CE1 4.17Å; V1809-F1819 HydrophobicContact CB-CE2 4.5Å; V1809-F1819 HydrophobicContact CB-CZ 4Å; V1809-F1819 HydrophobicContact CG2-CD1 3.94Å; V1809-F1819 HydrophobicContact CG2-CE1 3.58Å; V1809-F1819 VanDerWaalsContact CG2-CE1 3.47Å; V1809-F1819 HydrophobicContact CG2-CE2 4.43Å; V1809-F1819 HydrophobicContact CG2-CG 4.34Å; V1809-F1819 HydrophobicContact CG2-CZ 3.86Å; V1809-T1888 PolarHBondContact N-O 2.97Å; V1809-T1888 VanDerWaalsContact O-O 3.13Å; V1809-L1889 HydrophobicContact CB-CD1 4.01Å; V1809-L1889 HydrophobicContact CG1-CD1 3.89Å; V1809-L1889 CarbonylContact O-C 3.53Å; V1809-L1889 WeakPolarHBondContact O-CA 3.38Å; V1809-K1890 PolarHBondContact O-N 2.99Å |
| 1810 | S | 89.8 | Confident | 88.9 | Confident | 81.2 Ų | 81.2 | 53.7 Ų | 53.7 | 57% | 0.568 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.7 | 174.2 | -72.1 | 0 | 0 | 0 | 0 | 110.4 | E1184 K1890 | E1184-S1810 PolarHBondContact OE2-OG 3.21Å; S1810-K1890 VanDerWaalsContact CA-O 3.3Å; S1810-K1890 WeakPolarHBondContact CA-O 3.31Å; S1810-K1890 PolarHBondContact OG-O 3.25Å |
| 1811 | V | 89.5 | Confident | 89.1 | Confident | 15.2 Ų | 15.2 | 53.5 Ų | 53.5 | 9% | 0.092 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 159.7 | -175.3 | -66.6 | 0 | 0 | 0 | 0 | 110.6 | V1809 E1815 A1817 A1864 L1889 K1890 C1891 E1892 | V1809-V1811 HydrophobicContact CG1-CG1 4.01Å; V1811-E1815 HydrophobicContact CB-CB 4.19Å; V1811-A1817 HydrophobicContact CG1-CB 4.17Å; V1811-A1817 HydrophobicContact CG2-CB 4.4Å; V1811-A1864 HydrophobicContact CG2-CB 3.66Å; V1811-L1889 HydrophobicContact CG2-CD1 3.93Å; V1811-K1890 PolarHBondContact N-O 3.02Å; V1811-K1890 VanDerWaalsContact N-O 3.08Å; V1811-C1891 HydrophobicContact CG2-CB 4.25Å; V1811-C1891 CarbonylContact O-C 3.51Å; V1811-C1891 VanDerWaalsContact O-CA 3.28Å; V1811-C1891 WeakPolarHBondContact O-CA 3.28Å; V1811-E1892 PolarHBondContact O-N 2.98Å |
| 1812 | N | 86.1 | Confident | 89.3 | Confident | 63 Ų | 63 | 54.1 Ų | 54.1 | 34% | 0.337 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 158.6 | 169.8 | -54.8 | -72.4 | 0 | 0 | 0 | 110.9 | G1814 E1815 | N1812-G1814 PolarHBondContact O-N 2.91Å; N1812-E1815 HydrophobicContact CB-CG 4.33Å; N1812-E1815 WeakPolarHBondContact CB-OE1 3.35Å; N1812-E1815 VanDerWaalsContact CB-OE2 3.24Å; N1812-E1815 WeakPolarHBondContact CB-OE2 3.25Å; N1812-E1815 PolarHBondContact N-OE2 3.14Å; N1812-E1815 VanDerWaalsContact ND2-CD 3.28Å; N1812-E1815 PolarHBondContact ND2-OE1 2.99Å; N1812-E1815 VanDerWaalsContact ND2-OE1 3.12Å; N1812-E1815 PolarHBondContact ND2-OE2 2.99Å; N1812-E1815 VanDerWaalsContact ND2-OE2 3.07Å; N1812-E1815 WeakPolarHBondContact O-CB 3.37Å; N1812-E1815 WeakPolarHBondContact O-CG 3.23Å; N1812-E1815 PolarHBondContact O-N 2.91Å |
| 1813 | E | 84.9 | Confident | 89.4 | Confident | 48.6 Ų | 48.6 | 53.8 Ų | 53.8 | 23% | 0.227 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 123.3 | 175.6 | -178.1 | 175.9 | 179.5 | 0 | 0 | 112.8 | A1864 Y1865 C1891 E1892 P1893 K1894 | E1813-A1864 CarbonylContact C-O 3.56Å; E1813-A1864 WeakPolarHBondContact CA-O 3.3Å; E1813-Y1865 HydrophobicContact CG-CD1 3.83Å; E1813-Y1865 HydrophobicContact CG-CE1 4.25Å; E1813-C1891 VanDerWaalsContact CA-SG 3.54Å; E1813-E1892 PolarHBondContact N-O 3.15Å; E1813-P1893 WeakPolarHBondContact OE2-CA 3.32Å; E1813-K1894 HydrophobicContact CB-CB 4.2Å; E1813-K1894 HydrophobicContact CB-CD 4.26Å; E1813-K1894 HydrophobicContact CB-CG 4.17Å; E1813-K1894 VanDerWaalsContact O-CD 3.25Å; E1813-K1894 WeakPolarHBondContact O-CD 3.12Å; E1813-K1894 VanDerWaalsContact O-CE 3.27Å; E1813-K1894 WeakPolarHBondContact O-CE 3.35Å; E1813-K1894 PolarHBondContact O-NZ 2.93Å; E1813-K1894 PolarHBondContact OE2-N 3.14Å |
| 1814 | G | 81.7 | Confident | 89.3 | Confident | 37.6 Ų | 37.6 | 52.3 Ų | 52.3 | 39% | 0.388 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -4.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | N1812 A1864 | N1812-G1814 PolarHBondContact O-N 2.91Å; G1814-A1864 PolarHBondContact N-O 3Å |
| 1815 | E | 86 | Confident | 89.2 | Confident | 69.6 Ų | 69.6 | 52 Ų | 52 | 33% | 0.325 | 29% | 0.292 | S | S | . | . | trans | -84 | 151.2 | 174.5 | -69 | 175.4 | 167.9 | 0 | 0 | 111.7 | N1186 V1811 N1812 A1864 | N1186-E1815 PolarHBondContact ND2-OE1 2.98Å; N1186-E1815 PolarHBondContact OD1-OE1 2.8Å; V1811-E1815 HydrophobicContact CB-CB 4.19Å; N1812-E1815 HydrophobicContact CB-CG 4.33Å; N1812-E1815 WeakPolarHBondContact CB-OE1 3.35Å; N1812-E1815 VanDerWaalsContact CB-OE2 3.24Å; N1812-E1815 WeakPolarHBondContact CB-OE2 3.25Å; N1812-E1815 PolarHBondContact N-OE2 3.14Å; N1812-E1815 VanDerWaalsContact ND2-CD 3.28Å; N1812-E1815 PolarHBondContact ND2-OE1 2.99Å; N1812-E1815 VanDerWaalsContact ND2-OE1 3.12Å; N1812-E1815 PolarHBondContact ND2-OE2 2.99Å; N1812-E1815 VanDerWaalsContact ND2-OE2 3.07Å; N1812-E1815 WeakPolarHBondContact O-CB 3.37Å; N1812-E1815 WeakPolarHBondContact O-CG 3.23Å; N1812-E1815 PolarHBondContact O-N 2.91Å; E1815-A1864 WeakPolarHBondContact O-CB 3.4Å; E1815-A1864 PolarHBondContact O-N 3.16Å | ||
| 1816 | P | 90.7 | Very high | 88.8 | Confident | 89 Ų | 89 | 49 Ų | 49 | 58% | 0.578 | 28% | 0.281 | S | S | * | . | trans | -73.7 | 151.9 | 174.2 | 30.9 | -34.8 | 0 | 0 | 0 | 111.6 | I1861 G1862 | P1816-I1861 CarbonylContact C-O 3.56Å; P1816-I1861 VanDerWaalsContact CA-O 3.22Å; P1816-I1861 WeakPolarHBondContact CA-O 3.34Å; P1816-I1861 WeakPolarHBondContact CB-O 3.37Å; P1816-G1862 WeakPolarHBondContact CB-O 3.18Å | ||
| 1817 | A | 90.4 | Very high | 88.3 | Confident | 4.6 Ų | 4.6 | 53.8 Ų | 53.8 | 4% | 0.038 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 138.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1809 V1811 I1861 A1864 L1889 | V1809-A1817 HydrophobicContact CG1-CB 4.05Å; V1811-A1817 HydrophobicContact CG1-CB 4.17Å; V1811-A1817 HydrophobicContact CG2-CB 4.4Å; A1817-I1861 HydrophobicContact CB-CB 4.2Å; A1817-I1861 HydrophobicContact CB-CD1 4.29Å; A1817-I1861 HydrophobicContact CB-CG1 4.43Å; A1817-I1861 PolarHBondContact N-O 2.93Å; A1817-I1861 WeakPolarHBondContact O-CB 3.27Å; A1817-I1861 PolarHBondContact O-N 2.97Å; A1817-A1864 HydrophobicContact CB-CB 4.48Å; A1817-L1889 HydrophobicContact CB-CD1 3.63Å; A1817-L1889 HydrophobicContact CB-CD2 4.43Å |
| 1818 | H | 93.1 | Very high | 88 | Confident | 88.2 Ų | 88.2 | 49.5 Ų | 49.5 | 41% | 0.408 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 136.2 | -176.8 | -178.3 | 80.6 | 0 | 0 | 0 | 110.9 | V1809 D1860 | V1809-H1818 WeakPolarHBondContact CG2-O 3.35Å; H1818-D1860 IonicContact CE1-OD1 3.68Å; H1818-D1860 IonicContact CE1-OD2 3.15Å; H1818-D1860 IonicContact CG-OD1 3.32Å; H1818-D1860 IonicContact ND1-OD1 2.91Å; H1818-D1860 PolarHBondContact ND1-OD1 3.18Å; H1818-D1860 IonicContact ND1-OD2 2.87Å |
| 1819 | F | 93.1 | Very high | 87.3 | Confident | 1.8 Ų | 1.8 | 49 Ų | 49 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 120.2 | 178.5 | -80.6 | -72.8 | 0 | 0 | 0 | 109.9 | L1806 N1807 V1809 W1835 T1858 L1859 I1861 Y1872 L1889 | L1806-F1819 HydrophobicContact CD2-CB 3.99Å; L1806-F1819 HydrophobicContact CD2-CD1 4.26Å; L1806-F1819 HydrophobicContact CD2-CG 4.47Å; N1807-F1819 VanDerWaalsContact O-CE1 3.29Å; N1807-F1819 WeakPolarHBondContact O-CE1 3.36Å; V1809-F1819 HydrophobicContact CB-CE1 4.17Å; V1809-F1819 HydrophobicContact CB-CE2 4.5Å; V1809-F1819 HydrophobicContact CB-CZ 4Å; V1809-F1819 HydrophobicContact CG2-CD1 3.94Å; V1809-F1819 HydrophobicContact CG2-CE1 3.58Å; V1809-F1819 VanDerWaalsContact CG2-CE1 3.47Å; V1809-F1819 HydrophobicContact CG2-CE2 4.43Å; V1809-F1819 HydrophobicContact CG2-CG 4.34Å; V1809-F1819 HydrophobicContact CG2-CZ 3.86Å; F1819-W1835 HydrophobicContact CB-CH2 4.09Å; F1819-W1835 HydrophobicContact CB-CZ3 4.23Å; F1819-T1858 CarbonylContact O-C 3.43Å; F1819-T1858 VanDerWaalsContact O-CA 3.26Å; F1819-T1858 WeakPolarHBondContact O-CA 3.37Å; F1819-L1859 HydrophobicContact CB-CB 4.09Å; F1819-L1859 HydrophobicContact CB-CD2 4.44Å; F1819-L1859 HydrophobicContact CB-CG 4.44Å; F1819-L1859 HydrophobicContact CD2-CD2 4.16Å; F1819-L1859 HydrophobicContact CD2-CG 4.44Å; F1819-L1859 PolarHBondContact N-O 3.11Å; F1819-L1859 PolarHBondContact O-N 3.07Å; F1819-I1861 HydrophobicContact CD2-CD1 4.36Å; F1819-I1861 HydrophobicContact CE2-CD1 4.17Å; F1819-Y1872 HydrophobicContact CD2-CG 4.34Å; F1819-Y1872 HydrophobicContact CE2-CD1 4.42Å; F1819-Y1872 AromaticContact CE2-CD2 3.79Å; F1819-Y1872 HydrophobicContact CE2-CD2 3.79Å; F1819-Y1872 HydrophobicContact CE2-CE2 4.36Å; F1819-Y1872 AromaticContact CE2-CG 3.86Å; F1819-Y1872 HydrophobicContact CE2-CG 3.89Å; F1819-Y1872 AromaticContact CZ-CD2 3.89Å; F1819-Y1872 HydrophobicContact CZ-CD2 3.95Å; F1819-Y1872 HydrophobicContact CZ-CG 4.23Å; F1819-L1889 HydrophobicContact CE2-CB 4.12Å; F1819-L1889 HydrophobicContact CE2-CD1 4.29Å; F1819-L1889 HydrophobicContact CE2-CG 4.48Å; F1819-L1889 HydrophobicContact CZ-CB 3.88Å; F1819-L1889 HydrophobicContact CZ-CD1 4.29Å |
| 1820 | D | 92.8 | Very high | 86.9 | Confident | 60.6 Ų | 60.6 | 50.7 Ų | 50.7 | 32% | 0.324 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145.2 | 178.5 | 71 | -61.1 | 0 | 0 | 0 | 113.5 | L1806 C1857 T1858 | L1806-D1820 VanDerWaalsContact CD2-O 3.27Å; L1806-D1820 WeakPolarHBondContact CD2-O 3.31Å; D1820-C1857 CarbonylContact C-O 3.57Å; D1820-C1857 WeakPolarHBondContact CA-O 3.39Å; D1820-T1858 HydrophobicContact CB-CG2 4.19Å |
| 1821 | C | 91.6 | Very high | 86.7 | Confident | 0.8 Ų | 0.8 | 47.8 Ų | 47.8 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 160 | 175.9 | 58.4 | 0 | 0 | 0 | 0 | 111.4 | A1804 L1806 F1856 C1857 C1874 T1885 | A1804-C1821 WeakPolarHBondContact O-CA 3.37Å; A1804-C1821 VanDerWaalsContact O-CB 3.23Å; A1804-C1821 WeakPolarHBondContact O-CB 3.35Å; L1806-C1821 HydrophobicContact CD2-CB 3.93Å; L1806-C1821 HydrophobicContact CG-CB 4.22Å; C1821-F1856 CarbonylContact O-C 3.5Å; C1821-F1856 WeakPolarHBondContact O-CA 3.34Å; C1821-C1857 VanDerWaalsContact C-SG 3.52Å; C1821-C1857 WeakPolarHBondContact CB-SG 3.39Å; C1821-C1857 PolarHBondContact N-O 3.18Å; C1821-C1857 PolarHBondContact O-N 2.89Å; C1821-C1857 PolarHBondContact O-SG 2.98Å; C1821-C1857 VanDerWaalsContact O-SG 3.36Å; C1821-C1857 WeakPolarHBondContact SG-CB 3.36Å; C1821-C1857 PolarHBondContact SG-O 3.04Å; C1821-C1857 CovalentContact SG-SG 2.05Å; C1821-C1857 PolarHBondContact SG-SG 2.97Å; C1821-C1874 VanDerWaalsContact SG-SG 3.64Å; C1821-T1885 HydrophobicContact CB-CG2 4.01Å |
| 1822 | Q | 91.7 | Very high | 86.6 | Confident | 62.2 Ų | 62.2 | 52.4 Ų | 52.4 | 29% | 0.291 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 146.9 | 172.4 | -62.1 | 171.9 | 24 | 0 | 0 | 111.4 | V1802 T1803 A1804 G1855 F1856 | V1802-Q1822 CarbonylContact C-O 3.56Å; V1802-Q1822 WeakPolarHBondContact CA-O 3.32Å; V1802-Q1822 WeakPolarHBondContact CG1-O 3.35Å; T1803-Q1822 PolarHBondContact N-O 2.89Å; T1803-Q1822 VanDerWaalsContact OG1-C 3.28Å; T1803-Q1822 VanDerWaalsContact OG1-CB 3.27Å; T1803-Q1822 WeakPolarHBondContact OG1-CB 3.38Å; T1803-Q1822 PolarHBondContact OG1-O 3.12Å; A1804-Q1822 HydrophobicContact CB-CB 3.72Å; A1804-Q1822 HydrophobicContact CB-CG 3.84Å; A1804-Q1822 PolarHBondContact N-O 3.04Å; A1804-Q1822 PolarHBondContact O-N 3.17Å; A1804-Q1822 VanDerWaalsContact O-N 3.08Å; Q1822-G1855 CarbonylContact C-O 3.49Å; Q1822-G1855 VanDerWaalsContact CA-O 3.23Å; Q1822-G1855 WeakPolarHBondContact CA-O 3.36Å; Q1822-F1856 VanDerWaalsContact CD-CE1 3.41Å; Q1822-F1856 VanDerWaalsContact CD-CZ 3.48Å; Q1822-F1856 HydrophobicContact CG-CD1 3.62Å; Q1822-F1856 HydrophobicContact CG-CD2 4.43Å; Q1822-F1856 HydrophobicContact CG-CE1 3.63Å; Q1822-F1856 VanDerWaalsContact CG-CE1 3.48Å; Q1822-F1856 HydrophobicContact CG-CE2 4.36Å; Q1822-F1856 HydrophobicContact CG-CG 4.19Å; Q1822-F1856 HydrophobicContact CG-CZ 4.17Å; Q1822-F1856 VanDerWaalsContact NE2-CE1 3.27Å |
| 1823 | Y | 91.2 | Very high | 86.7 | Confident | 16.8 Ų | 16.8 | 51.2 Ų | 51.2 | 7% | 0.066 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 156.4 | -179.3 | 63.7 | -92.2 | 0 | 0 | 0 | 112.8 | A1801 T1803 P1825 L1831 I1833 G1855 F1856 C1857 V1876 | A1801-Y1823 CarbonylContact O-C 3.53Å; A1801-Y1823 VanDerWaalsContact O-CA 3.29Å; A1801-Y1823 WeakPolarHBondContact O-CA 3.29Å; T1803-Y1823 PolarHBondContact OG1-N 3.23Å; Y1823-P1825 WeakPolarHBondContact CD2-O 3.5Å; Y1823-L1831 HydrophobicContact CD2-CD1 4.17Å; Y1823-L1831 HydrophobicContact CD2-CD2 3.61Å; Y1823-L1831 VanDerWaalsContact CD2-CD2 3.41Å; Y1823-L1831 HydrophobicContact CE1-CD2 4.44Å; Y1823-L1831 HydrophobicContact CE2-CD1 3.82Å; Y1823-L1831 HydrophobicContact CE2-CD2 3.22Å; Y1823-L1831 HydrophobicContact CE2-CG 4.22Å; Y1823-L1831 HydrophobicContact CG-CD2 4.33Å; Y1823-I1833 HydrophobicContact CD1-CD1 4.09Å; Y1823-I1833 HydrophobicContact CE1-CD1 3.56Å; Y1823-I1833 VanDerWaalsContact CE1-CD1 3.46Å; Y1823-I1833 HydrophobicContact CE2-CD1 4.44Å; Y1823-G1855 VanDerWaalsContact CD1-O 3.25Å; Y1823-G1855 WeakPolarHBondContact CD1-O 3.3Å; Y1823-G1855 VanDerWaalsContact CE1-C 3.47Å; Y1823-G1855 VanDerWaalsContact CE1-O 3.22Å; Y1823-G1855 WeakPolarHBondContact CE1-O 3.42Å; Y1823-G1855 PolarHBondContact N-O 3Å; Y1823-F1856 WeakPolarHBondContact CE1-O 3.37Å; Y1823-C1857 HydrophobicContact CD1-CB 4.35Å; Y1823-C1857 HydrophobicContact CE1-CB 4.26Å; Y1823-C1857 WeakPolarHBondContact CE1-SG 3.31Å; Y1823-V1876 HydrophobicContact CD1-CG2 4.41Å; Y1823-V1876 HydrophobicContact CD2-CG1 4.34Å; Y1823-V1876 HydrophobicContact CG-CG1 4.33Å; Y1823-V1876 HydrophobicContact CG-CG2 4.42Å |
| 1824 | S | 85.9 | Confident | 87 | Confident | 51.4 Ų | 51.4 | 51.7 Ų | 51.7 | 36% | 0.359 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 145.2 | 173.3 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | E1076 P1800 A1801 | E1076-S1824 VanDerWaalsContact OE2-CB 3.23Å; E1076-S1824 WeakPolarHBondContact OE2-CB 3.47Å; E1076-S1824 PolarHBondContact OE2-OG 2.79Å; P1800-S1824 CarbonylContact C-O 3.43Å; P1800-S1824 VanDerWaalsContact CA-O 3.29Å; P1800-S1824 WeakPolarHBondContact CA-O 3.31Å; A1801-S1824 PolarHBondContact N-O 2.95Å; A1801-S1824 PolarHBondContact O-N 3.01Å |
| 1825 | P | 85.9 | Confident | 87.5 | Confident | 23.8 Ų | 23.8 | 50.5 Ų | 50.5 | 16% | 0.155 | 27% | 0.271 | C | S | . | . | cis | -73.2 | 148 | -0.7 | 31.9 | -36.3 | 0 | 0 | 0 | 113 | Y1797 Y1823 D1827 D1828 | Y1797-P1825 HydrophobicContact CD1-CB 4.31Å; Y1797-P1825 HydrophobicContact CD1-CG 4.16Å; Y1797-P1825 HydrophobicContact CG-CG 4.27Å; Y1797-P1825 WeakPolarHBondContact O-CD 3.38Å; Y1797-P1825 VanDerWaalsContact O-CG 3.31Å; Y1797-P1825 WeakPolarHBondContact O-CG 3.24Å; Y1823-P1825 WeakPolarHBondContact CD2-O 3.5Å; P1825-D1827 PolarHBondContact O-N 2.83Å; P1825-D1827 VanDerWaalsContact O-N 3.16Å; P1825-D1828 HydrophobicContact CG-CB 4.16Å | ||
| 1826 | V | 82 | Confident | 87.8 | Confident | 55.6 Ų | 55.6 | 49.1 Ų | 49.1 | 34% | 0.337 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -77.8 | -40.3 | 173.7 | -174.9 | 0 | 0 | 0 | 0 | 110 | E1076 D1828 G1855 | E1076-V1826 VanDerWaalsContact OE1-CG2 3.26Å; E1076-V1826 WeakPolarHBondContact OE1-CG2 3.31Å; E1076-V1826 WeakPolarHBondContact OE2-CG2 3.37Å; V1826-D1828 PolarHBondContact O-N 3.05Å; V1826-G1855 VanDerWaalsContact CG1-N 3.33Å; V1826-G1855 VanDerWaalsContact CG2-CA 3.45Å |
| 1827 | D | 78.9 | Confident | 87.7 | Confident | 113.8 Ų | 113.8 | 45.7 Ų | 45.7 | 61% | 0.609 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -61.7 | 11.3 | -171.4 | -58.7 | -46.7 | 0 | 0 | 0 | 116.1 | R1049 Y1797 P1825 P1829 | R1049-D1827 WeakPolarHBondContact CD-OD1 3.45Å; R1049-D1827 WeakPolarHBondContact CD-OD2 3.47Å; R1049-D1827 VanDerWaalsContact CZ-CG 3.4Å; R1049-D1827 IonicContact CZ-OD1 3.5Å; R1049-D1827 IonicContact CZ-OD2 2.67Å; R1049-D1827 IonicContact NE-OD1 3.36Å; R1049-D1827 IonicContact NE-OD2 3.52Å; R1049-D1827 PolarHBondContact NE-OD2 3.44Å; R1049-D1827 PolarHBondContact NH1-O 2.77Å; R1049-D1827 IonicContact NH1-OD1 3.74Å; R1049-D1827 PolarHBondContact NH1-OD1 2.96Å; R1049-D1827 IonicContact NH1-OD2 3.12Å; R1049-D1827 PolarHBondContact NH2-O 3.36Å; Y1797-D1827 HydrophobicContact CE1-CB 4.39Å; Y1797-D1827 VanDerWaalsContact CE1-O 3.28Å; Y1797-D1827 WeakPolarHBondContact CE1-O 3.23Å; P1825-D1827 PolarHBondContact O-N 2.83Å; P1825-D1827 VanDerWaalsContact O-N 3.16Å; D1827-P1829 VanDerWaalsContact O-CD 3.25Å; D1827-P1829 WeakPolarHBondContact O-CD 3.24Å |
| 1828 | D | 82.4 | Confident | 87.5 | Confident | 11.2 Ų | 11.2 | 49.3 Ų | 49.3 | 6% | 0.06 | 26% | 0.261 | C | S | . | . | trans | -76 | 113.8 | 176.6 | -179.1 | -3.9 | 0 | 0 | 0 | 110.9 | Y1797 P1825 V1826 N1830 L1831 N1878 | Y1797-D1828 WeakPolarHBondContact CB-OD2 3.24Å; Y1797-D1828 HydrophobicContact CD1-CB 3.84Å; Y1797-D1828 HydrophobicContact CD2-CB 4.24Å; Y1797-D1828 WeakPolarHBondContact CD2-OD1 3.49Å; Y1797-D1828 HydrophobicContact CE1-CB 4.31Å; Y1797-D1828 HydrophobicContact CG-CB 3.73Å; P1825-D1828 HydrophobicContact CG-CB 4.16Å; V1826-D1828 PolarHBondContact O-N 3.05Å; D1828-N1830 PolarHBondContact O-N 2.92Å; D1828-N1830 VanDerWaalsContact O-N 3.12Å; D1828-N1830 WeakPolarHBondContact OD1-CA 3.26Å; D1828-N1830 VanDerWaalsContact OD1-CB 3.3Å; D1828-N1830 WeakPolarHBondContact OD1-CB 3.36Å; D1828-N1830 PolarHBondContact OD1-N 2.94Å; D1828-N1830 PolarHBondContact OD1-ND2 2.84Å; D1828-L1831 HydrophobicContact CB-CB 4.18Å; D1828-L1831 HydrophobicContact CB-CD1 4.43Å; D1828-L1831 VanDerWaalsContact O-CB 3.23Å; D1828-L1831 WeakPolarHBondContact O-CB 3.33Å; D1828-L1831 PolarHBondContact O-N 3.05Å; D1828-L1831 VanDerWaalsContact O-N 3.09Å; D1828-N1878 VanDerWaalsContact OD2-CB 3.29Å; D1828-N1878 WeakPolarHBondContact OD2-CB 3.31Å; D1828-N1878 VanDerWaalsContact OD2-CG 3.31Å; D1828-N1878 PolarHBondContact OD2-ND2 3.04Å | ||
| 1829 | P | 77.1 | Confident | 87 | Confident | 106.2 Ų | 106.2 | 52.1 Ų | 52.1 | 69% | 0.69 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -9.9 | -178.7 | 29.1 | -35.4 | 0 | 0 | 0 | 113.6 | Y1797 D1827 | Y1797-P1829 HydrophobicContact CE2-CG 4.4Å; Y1797-P1829 WeakPolarHBondContact OH-CD 3.26Å; D1827-P1829 VanDerWaalsContact O-CD 3.25Å; D1827-P1829 WeakPolarHBondContact O-CD 3.24Å |
| 1830 | N | 80.4 | Confident | 86.6 | Confident | 63.8 Ų | 63.8 | 59.4 Ų | 59.4 | 34% | 0.341 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 4.1 | 176 | -52 | -82.3 | 0 | 0 | 0 | 113 | D1828 K1832 N1878 R1879 | D1828-N1830 PolarHBondContact O-N 2.92Å; D1828-N1830 VanDerWaalsContact O-N 3.12Å; D1828-N1830 WeakPolarHBondContact OD1-CA 3.26Å; D1828-N1830 VanDerWaalsContact OD1-CB 3.3Å; D1828-N1830 WeakPolarHBondContact OD1-CB 3.36Å; D1828-N1830 PolarHBondContact OD1-N 2.94Å; D1828-N1830 PolarHBondContact OD1-ND2 2.84Å; N1830-K1832 PolarHBondContact O-N 2.93Å; N1830-K1832 VanDerWaalsContact O-N 3.17Å; N1830-N1878 HydrophobicContact CB-CB 4.49Å; N1830-R1879 HydrophobicContact CB-CG 4.07Å; N1830-R1879 PolarHBondContact ND2-NE 3.44Å; N1830-R1879 VanDerWaalsContact OD1-CZ 3.25Å; N1830-R1879 PolarHBondContact OD1-NE 3.11Å; N1830-R1879 PolarHBondContact OD1-NH2 3.03Å |
| 1831 | L | 85.5 | Confident | 86.4 | Confident | 19.2 Ų | 19.2 | 61.2 Ų | 61.2 | 10% | 0.101 | 33% | 0.326 | C | S | . | . | trans | -74.3 | 116.9 | -176.7 | -162.6 | 107 | 0 | 0 | 0 | 111.4 | P1800 Y1823 D1828 I1833 V1876 S1877 N1878 | P1800-L1831 HydrophobicContact CB-CD1 4.11Å; P1800-L1831 HydrophobicContact CG-CD1 4.39Å; Y1823-L1831 HydrophobicContact CD2-CD1 4.17Å; Y1823-L1831 HydrophobicContact CD2-CD2 3.61Å; Y1823-L1831 VanDerWaalsContact CD2-CD2 3.41Å; Y1823-L1831 HydrophobicContact CE1-CD2 4.44Å; Y1823-L1831 HydrophobicContact CE2-CD1 3.82Å; Y1823-L1831 HydrophobicContact CE2-CD2 3.22Å; Y1823-L1831 HydrophobicContact CE2-CG 4.22Å; Y1823-L1831 HydrophobicContact CG-CD2 4.33Å; D1828-L1831 HydrophobicContact CB-CB 4.18Å; D1828-L1831 HydrophobicContact CB-CD1 4.43Å; D1828-L1831 VanDerWaalsContact O-CB 3.23Å; D1828-L1831 WeakPolarHBondContact O-CB 3.33Å; D1828-L1831 PolarHBondContact O-N 3.05Å; D1828-L1831 VanDerWaalsContact O-N 3.09Å; L1831-I1833 HydrophobicContact CD2-CD1 4.08Å; L1831-I1833 HydrophobicContact CD2-CG1 4.06Å; L1831-V1876 HydrophobicContact CD1-CG1 3.64Å; L1831-V1876 HydrophobicContact CD2-CG1 3.76Å; L1831-V1876 HydrophobicContact CG-CG1 3.69Å; L1831-S1877 CarbonylContact C-O 3.53Å; L1831-S1877 WeakPolarHBondContact CA-O 3.36Å; L1831-N1878 HydrophobicContact CD1-CB 4.38Å | ||
| 1832 | K | 86.6 | Confident | 86.1 | Confident | 113 Ų | 113 | 62.6 Ų | 62.6 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 123.6 | 177.8 | -170.1 | -168.3 | -178.2 | -155.9 | 0 | 109.9 | N1830 E1834 V1876 S1877 | N1830-K1832 PolarHBondContact O-N 2.93Å; N1830-K1832 VanDerWaalsContact O-N 3.17Å; K1832-E1834 HydrophobicContact CD-CG 4.25Å; K1832-E1834 VanDerWaalsContact CE-OE1 3.27Å; K1832-E1834 WeakPolarHBondContact CE-OE1 3.33Å; K1832-E1834 WeakPolarHBondContact CE-OE2 3.33Å; K1832-E1834 HydrophobicContact CG-CG 4.31Å; K1832-E1834 IonicContact NZ-OE1 3.34Å; K1832-E1834 PolarHBondContact NZ-OE1 3.17Å; K1832-E1834 IonicContact NZ-OE2 2.87Å; K1832-E1834 PolarHBondContact NZ-OE2 2.89Å; K1832-V1876 CarbonylContact O-C 3.46Å; K1832-V1876 WeakPolarHBondContact O-CA 3.11Å; K1832-S1877 PolarHBondContact N-O 3.09Å; K1832-S1877 PolarHBondContact O-N 2.91Å; K1832-S1877 PolarHBondContact O-OG 2.95Å; K1832-S1877 VanDerWaalsContact O-OG 3.09Å |
| 1833 | I | 89.4 | Confident | 85.6 | Confident | 36.6 Ų | 36.6 | 63.9 Ų | 63.9 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 129.1 | 177.8 | -57 | 171.7 | 0 | 0 | 0 | 108.5 | Y1823 L1831 K1852 C1857 C1874 K1875 V1876 | Y1823-I1833 HydrophobicContact CD1-CD1 4.09Å; Y1823-I1833 HydrophobicContact CE1-CD1 3.56Å; Y1823-I1833 VanDerWaalsContact CE1-CD1 3.46Å; Y1823-I1833 HydrophobicContact CE2-CD1 4.44Å; L1831-I1833 HydrophobicContact CD2-CD1 4.08Å; L1831-I1833 HydrophobicContact CD2-CG1 4.06Å; I1833-K1852 HydrophobicContact CD1-CB 4Å; I1833-K1852 HydrophobicContact CD1-CD 4.02Å; I1833-K1852 HydrophobicContact CD1-CG 4.46Å; I1833-K1852 HydrophobicContact CG1-CD 4.49Å; I1833-C1857 HydrophobicContact CD1-CB 4.4Å; I1833-C1857 WeakPolarHBondContact CD1-SG 3.28Å; I1833-C1857 HydrophobicContact CG2-CB 4.45Å; I1833-C1874 VanDerWaalsContact CG2-SG 3.56Å; I1833-K1875 CarbonylContact C-O 3.54Å; I1833-K1875 VanDerWaalsContact CA-O 3.31Å; I1833-K1875 WeakPolarHBondContact CA-O 3.42Å; I1833-V1876 HydrophobicContact CG1-CB 4.48Å; I1833-V1876 HydrophobicContact CG1-CG1 4.3Å; I1833-V1876 HydrophobicContact CG1-CG2 4.3Å |
| 1834 | E | 91.1 | Very high | 84.9 | Confident | 59.8 Ų | 59.8 | 68 Ų | 68 | 28% | 0.279 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 128.8 | -179.4 | -65 | -176.9 | 115.3 | 0 | 0 | 110.4 | K1832 F1836 K1875 | K1832-E1834 HydrophobicContact CD-CG 4.25Å; K1832-E1834 VanDerWaalsContact CE-OE1 3.27Å; K1832-E1834 WeakPolarHBondContact CE-OE1 3.33Å; K1832-E1834 WeakPolarHBondContact CE-OE2 3.33Å; K1832-E1834 HydrophobicContact CG-CG 4.31Å; K1832-E1834 IonicContact NZ-OE1 3.34Å; K1832-E1834 PolarHBondContact NZ-OE1 3.17Å; K1832-E1834 IonicContact NZ-OE2 2.87Å; K1832-E1834 PolarHBondContact NZ-OE2 2.89Å; E1834-F1836 HydrophobicContact CB-CD2 4.37Å; E1834-F1836 HydrophobicContact CB-CE2 3.59Å; E1834-F1836 VanDerWaalsContact CB-CE2 3.45Å; E1834-F1836 HydrophobicContact CB-CZ 3.99Å; E1834-F1836 WeakPolarHBondContact O-CD2 3.3Å; E1834-F1836 WeakPolarHBondContact O-CE2 3.4Å; E1834-K1875 HydrophobicContact CB-CB 4.48Å; E1834-K1875 PolarHBondContact N-O 2.95Å; E1834-K1875 PolarHBondContact O-N 3.1Å |
| 1835 | W | 92.1 | Very high | 84.4 | Confident | 11.6 Ų | 11.6 | 67.4 Ų | 67.4 | 4% | 0.044 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 141.2 | 175.3 | -73.9 | 99.6 | 0 | 0 | 0 | 111.2 | L1806 F1819 P1841 L1842 F1850 C1857 T1858 L1859 S1873 C1874 | L1806-W1835 HydrophobicContact CD1-CH2 4.3Å; L1806-W1835 HydrophobicContact CD1-CZ3 3.81Å; L1806-W1835 HydrophobicContact CD2-CH2 3.61Å; L1806-W1835 HydrophobicContact CD2-CZ3 3.88Å; L1806-W1835 HydrophobicContact CG-CZ3 4.47Å; F1819-W1835 HydrophobicContact CB-CH2 4.09Å; F1819-W1835 HydrophobicContact CB-CZ3 4.23Å; W1835-P1841 WeakPolarHBondContact O-CA 3.42Å; W1835-L1842 HydrophobicContact CB-CB 4.3Å; W1835-L1842 HydrophobicContact CB-CD1 4.17Å; W1835-L1842 PolarHBondContact O-N 3.05Å; W1835-F1850 HydrophobicContact CB-CD1 4.27Å; W1835-F1850 HydrophobicContact CB-CE1 4.21Å; W1835-F1850 HydrophobicContact CB-CZ 4.41Å; W1835-F1850 AromaticContact CD1-CD1 3.74Å; W1835-F1850 AromaticContact CD1-CE1 3.67Å; W1835-F1850 AromaticContact CD1-CG 3.82Å; W1835-F1850 AromaticContact CG-CD1 3.84Å; W1835-F1850 HydrophobicContact CG-CD1 4.25Å; W1835-F1850 AromaticContact CG-CE1 3.76Å; W1835-F1850 HydrophobicContact CG-CE1 4.17Å; W1835-F1850 AromaticContact NE1-CD1 3.78Å; W1835-C1857 HydrophobicContact CZ2-CB 4.38Å; W1835-C1857 WeakPolarHBondContact CZ2-SG 3.37Å; W1835-T1858 VanDerWaalsContact CZ2-C 3.46Å; W1835-T1858 WeakPolarHBondContact CZ2-O 3.26Å; W1835-T1858 PolarHBondContact NE1-O 2.89Å; W1835-T1858 VanDerWaalsContact NE1-O 3.17Å; W1835-L1859 HydrophobicContact CD2-CB 3.86Å; W1835-L1859 HydrophobicContact CD2-CD2 4.18Å; W1835-L1859 HydrophobicContact CE3-CB 3.86Å; W1835-L1859 HydrophobicContact CE3-CD2 3.66Å; W1835-L1859 HydrophobicContact CE3-CG 4.38Å; W1835-L1859 HydrophobicContact CG-CB 4.45Å; W1835-L1859 HydrophobicContact CH2-CB 3.55Å; W1835-L1859 HydrophobicContact CH2-CD2 4.48Å; W1835-L1859 HydrophobicContact CZ2-CB 3.58Å; W1835-L1859 HydrophobicContact CZ3-CB 3.7Å; W1835-L1859 HydrophobicContact CZ3-CD2 3.87Å; W1835-L1859 HydrophobicContact CZ3-CG 4.44Å; W1835-S1873 CarbonylContact C-O 3.52Å; W1835-S1873 WeakPolarHBondContact CA-O 3.3Å; W1835-C1874 HydrophobicContact CD2-CB 4.03Å; W1835-C1874 HydrophobicContact CE3-CB 3.82Å; W1835-C1874 HydrophobicContact CH2-CB 3.93Å; W1835-C1874 HydrophobicContact CZ2-CB 4.08Å; W1835-C1874 HydrophobicContact CZ3-CB 3.79Å |
| 1836 | F | 91.4 | Very high | 83.8 | Confident | 40.6 Ų | 40.6 | 71.8 Ų | 71.8 | 18% | 0.178 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 141.5 | 176.8 | -55.7 | -104.1 | 0 | 0 | 0 | 110.5 | E1834 K1840 P1841 Y1872 S1873 K1875 | E1834-F1836 HydrophobicContact CB-CD2 4.37Å; E1834-F1836 HydrophobicContact CB-CE2 3.59Å; E1834-F1836 VanDerWaalsContact CB-CE2 3.45Å; E1834-F1836 HydrophobicContact CB-CZ 3.99Å; E1834-F1836 WeakPolarHBondContact O-CD2 3.3Å; E1834-F1836 WeakPolarHBondContact O-CE2 3.4Å; F1836-K1840 CarbonylContact C-O 3.54Å; F1836-K1840 WeakPolarHBondContact CA-O 3.33Å; F1836-K1840 WeakPolarHBondContact CB-O 3.36Å; F1836-P1841 HydrophobicContact CD1-CB 4.09Å; F1836-P1841 HydrophobicContact CE1-CB 4.02Å; F1836-Y1872 CarbonylContact O-C 3.55Å; F1836-Y1872 VanDerWaalsContact O-CA 3.28Å; F1836-Y1872 WeakPolarHBondContact O-CA 3.31Å; F1836-S1873 WeakPolarHBondContact CB-OG 3.14Å; F1836-S1873 PolarHBondContact N-O 2.87Å; F1836-S1873 PolarHBondContact O-N 3.13Å; F1836-K1875 HydrophobicContact CD2-CB 4.42Å; F1836-K1875 HydrophobicContact CE2-CB 3.88Å; F1836-K1875 HydrophobicContact CE2-CD 4.31Å; F1836-K1875 HydrophobicContact CZ-CD 4.5Å |
| 1837 | C | 88.5 | Confident | 83.8 | Confident | 18.4 Ų | 18.4 | 70.9 Ų | 70.9 | 12% | 0.124 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 124.1 | 164.2 | 175.5 | 0 | 0 | 0 | 0 | 108.6 | N1839 K1840 L1842 Y1872 | C1837-N1839 VanDerWaalsContact C-N 3.29Å; C1837-N1839 PolarHBondContact O-N 3.12Å; C1837-N1839 VanDerWaalsContact O-N 3.17Å; C1837-K1840 PolarHBondContact N-O 2.95Å; C1837-K1840 WeakPolarHBondContact O-CB 3.35Å; C1837-K1840 PolarHBondContact O-N 2.83Å; C1837-L1842 HydrophobicContact CB-CD1 3.92Å; C1837-L1842 HydrophobicContact CB-CD2 3.88Å; C1837-L1842 HydrophobicContact CB-CG 3.98Å; C1837-Y1872 HydrophobicContact CB-CD1 4Å; C1837-Y1872 HydrophobicContact CB-CE1 3.68Å; C1837-Y1872 HydrophobicContact CB-CE2 4.47Å; C1837-Y1872 HydrophobicContact CB-CG 4.47Å; C1837-Y1872 VanDerWaalsContact SG-CZ 3.55Å |
| 1838 | N | 87.2 | Confident | 84.3 | Confident | 80.2 Ų | 80.2 | 67.5 Ų | 67.5 | 43% | 0.429 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 43.7 | -179.4 | -65 | -43.6 | 0 | 0 | 0 | 112.8 | K1840 S1869 G1870 V1871 | N1838-K1840 VanDerWaalsContact C-N 3.26Å; N1838-K1840 PolarHBondContact O-N 3.2Å; N1838-S1869 PolarHBondContact ND2-O 3.4Å; N1838-G1870 WeakPolarHBondContact ND2-CA 3.34Å; N1838-G1870 VanDerWaalsContact OD1-CA 3.29Å; N1838-G1870 WeakPolarHBondContact OD1-CA 3.35Å; N1838-V1871 PolarHBondContact N-O 2.99Å; N1838-V1871 PolarHBondContact OD1-N 3.11Å |
| 1839 | N | 83.2 | Confident | 84.5 | Confident | 145.8 Ų | 145.8 | 69.2 Ų | 69.2 | 78% | 0.78 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 11.1 | -174.6 | -56.1 | -53.6 | 0 | 0 | 0 | 116.2 | C1837 | C1837-N1839 VanDerWaalsContact C-N 3.29Å; C1837-N1839 PolarHBondContact O-N 3.12Å; C1837-N1839 VanDerWaalsContact O-N 3.17Å |
| 1840 | K | 83.8 | Confident | 85 | Confident | 155.2 Ų | 155.2 | 67.2 Ų | 67.2 | 68% | 0.675 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 133.2 | 170.2 | -62 | 178.6 | -178.7 | 175.3 | 0 | 109.7 | F1836 C1837 N1838 L1842 | F1836-K1840 CarbonylContact C-O 3.54Å; F1836-K1840 WeakPolarHBondContact CA-O 3.33Å; F1836-K1840 WeakPolarHBondContact CB-O 3.36Å; C1837-K1840 PolarHBondContact N-O 2.95Å; C1837-K1840 WeakPolarHBondContact O-CB 3.35Å; C1837-K1840 PolarHBondContact O-N 2.83Å; N1838-K1840 VanDerWaalsContact C-N 3.26Å; N1838-K1840 PolarHBondContact O-N 3.2Å; K1840-L1842 PolarHBondContact O-N 3.07Å |
| 1841 | P | 88.1 | Confident | 85.3 | Confident | 98.8 Ų | 98.8 | 66.8 Ų | 66.8 | 64% | 0.642 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 137 | 178.4 | 26.7 | -33.8 | 0 | 0 | 0 | 110.7 | W1835 F1836 | W1835-P1841 WeakPolarHBondContact O-CA 3.42Å; F1836-P1841 HydrophobicContact CD1-CB 4.09Å; F1836-P1841 HydrophobicContact CE1-CB 4.02Å |
| 1842 | L | 86.3 | Confident | 85.2 | Confident | 29.8 Ų | 29.8 | 72.2 Ų | 72.2 | 16% | 0.156 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -91.5 | 136.6 | 173.7 | -71.5 | 161.8 | 0 | 0 | 0 | 109.5 | W1835 C1837 K1840 Y1848 F1850 L1859 Y1872 | W1835-L1842 HydrophobicContact CB-CB 4.3Å; W1835-L1842 HydrophobicContact CB-CD1 4.17Å; W1835-L1842 PolarHBondContact O-N 3.05Å; C1837-L1842 HydrophobicContact CB-CD1 3.92Å; C1837-L1842 HydrophobicContact CB-CD2 3.88Å; C1837-L1842 HydrophobicContact CB-CG 3.98Å; K1840-L1842 PolarHBondContact O-N 3.07Å; L1842-Y1848 HydrophobicContact CD2-CD1 4.33Å; L1842-Y1848 HydrophobicContact CD2-CD2 4.11Å; L1842-Y1848 HydrophobicContact CD2-CE1 4.26Å; L1842-Y1848 HydrophobicContact CD2-CE2 3.94Å; L1842-Y1848 HydrophobicContact CD2-CG 4.31Å; L1842-F1850 HydrophobicContact CB-CE1 4.25Å; L1842-F1850 HydrophobicContact CB-CZ 3.83Å; L1842-F1850 WeakPolarHBondContact O-CZ 3.36Å; L1842-L1859 HydrophobicContact CD1-CD1 4.41Å; L1842-L1859 HydrophobicContact CD1-CD2 4.12Å; L1842-Y1872 HydrophobicContact CD1-CD1 3.68Å; L1842-Y1872 HydrophobicContact CD1-CE1 3.68Å; L1842-Y1872 HydrophobicContact CD2-CE1 4.34Å |
| 1843 | S | 79.7 | Confident | 84.8 | Confident | 90.8 Ų | 90.8 | 71.3 Ų | 71.3 | 64% | 0.635 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -100.9 | 143.4 | 171.5 | 53.8 | 0 | 0 | 0 | 0 | 110.6 | G1845 F1850 | S1843-G1845 PolarHBondContact O-N 2.79Å; S1843-F1850 VanDerWaalsContact C-CZ 3.47Å |
| 1844 | T | 76.9 | Confident | 84.5 | Confident | 101.6 Ų | 101.6 | 76.2 Ų | 76.2 | 62% | 0.623 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 137.2 | 175.2 | -55.4 | 0 | 0 | 0 | 0 | 110.1 | Y1848 F1850 | T1844-Y1848 WeakPolarHBondContact CA-O 3.39Å; T1844-F1850 HydrophobicContact CG2-CD2 4.14Å; T1844-F1850 HydrophobicContact CG2-CE2 3.94Å; T1844-F1850 HydrophobicContact CG2-CG 4.46Å; T1844-F1850 VanDerWaalsContact N-CE2 3.3Å; T1844-F1850 VanDerWaalsContact OG1-CD2 3.23Å; T1844-F1850 WeakPolarHBondContact OG1-CD2 3.36Å; T1844-F1850 VanDerWaalsContact OG1-CE2 3.25Å; T1844-F1850 WeakPolarHBondContact OG1-CE2 3.35Å |
| 1845 | G | 75.3 | Confident | 84.1 | Confident | 40.6 Ų | 40.6 | 73.5 Ų | 73.5 | 42% | 0.419 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -169.4 | -171.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1843 K1847 Y1848 | S1843-G1845 PolarHBondContact O-N 2.79Å; G1845-K1847 PolarHBondContact O-N 2.91Å; G1845-K1847 VanDerWaalsContact O-N 3.09Å; G1845-Y1848 PolarHBondContact N-O 3.03Å; G1845-Y1848 VanDerWaalsContact N-O 3.13Å; G1845-Y1848 CarbonylContact O-C 3.53Å; G1845-Y1848 VanDerWaalsContact O-C 3.32Å; G1845-Y1848 PolarHBondContact O-N 3.05Å; G1845-Y1848 VanDerWaalsContact O-O 3.12Å |
| 1846 | S | 73 | Confident | 83.9 | Confident | 114.8 Ų | 114.8 | 77.3 Ų | 77.3 | 80% | 0.803 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -65.1 | -25.6 | 179.8 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | D1985 | S1846-D1985 WeakPolarHBondContact CA-OD2 3.42Å; S1846-D1985 VanDerWaalsContact CB-OD2 3.23Å; S1846-D1985 WeakPolarHBondContact CB-OD2 3.32Å; S1846-D1985 PolarHBondContact N-OD2 3.48Å; S1846-D1985 PolarHBondContact OG-OD2 2.86Å |
| 1847 | K | 82.5 | Confident | 83.8 | Confident | 37.4 Ų | 37.4 | 75.4 Ų | 75.4 | 16% | 0.163 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -85.1 | -34.6 | 176.1 | -165.2 | 178.1 | -172.8 | -175.9 | 0 | 113.3 | G1845 I1861 G1862 Y1863 E1867 D1868 D1985 F1986 | G1845-K1847 PolarHBondContact O-N 2.91Å; G1845-K1847 VanDerWaalsContact O-N 3.09Å; K1847-I1861 VanDerWaalsContact O-CA 3.31Å; K1847-I1861 WeakPolarHBondContact O-CA 3.35Å; K1847-G1862 PolarHBondContact O-N 3.23Å; K1847-G1862 VanDerWaalsContact O-N 3.12Å; K1847-Y1863 HydrophobicContact CD-CD2 4.44Å; K1847-Y1863 HydrophobicContact CD-CE2 4.01Å; K1847-Y1863 VanDerWaalsContact CE-O 3.26Å; K1847-Y1863 WeakPolarHBondContact CE-O 3.36Å; K1847-Y1863 HydrophobicContact CG-CD2 4.42Å; K1847-Y1863 HydrophobicContact CG-CE2 4.1Å; K1847-E1867 IonicContact NZ-OE1 2.7Å; K1847-D1868 VanDerWaalsContact CE-OD1 3.23Å; K1847-D1868 WeakPolarHBondContact CE-OD1 3.37Å; K1847-D1868 WeakPolarHBondContact CE-OD2 3.39Å; K1847-D1868 IonicContact NZ-OD1 2.91Å; K1847-D1868 PolarHBondContact NZ-OD1 3Å; K1847-D1868 IonicContact NZ-OD2 3.02Å; K1847-D1868 PolarHBondContact NZ-OD2 3.05Å; K1847-D1985 PolarHBondContact N-OD2 2.89Å; K1847-F1986 HydrophobicContact CB-CE2 4.19Å; K1847-F1986 HydrophobicContact CB-CZ 3.69Å; K1847-F1986 HydrophobicContact CD-CE1 4.3Å; K1847-F1986 HydrophobicContact CD-CZ 3.91Å; K1847-F1986 HydrophobicContact CG-CZ 4.02Å |
| 1848 | Y | 89.6 | Confident | 84 | Confident | 41.6 Ų | 41.6 | 75.8 Ų | 75.8 | 16% | 0.163 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 104.9 | -173.1 | -57.2 | -66.6 | 0 | 0 | 0 | 110.2 | L1842 T1844 G1845 L1859 D1860 I1861 D1868 Y1872 | L1842-Y1848 HydrophobicContact CD2-CD1 4.33Å; L1842-Y1848 HydrophobicContact CD2-CD2 4.11Å; L1842-Y1848 HydrophobicContact CD2-CE1 4.26Å; L1842-Y1848 HydrophobicContact CD2-CE2 3.94Å; L1842-Y1848 HydrophobicContact CD2-CG 4.31Å; T1844-Y1848 WeakPolarHBondContact CA-O 3.39Å; G1845-Y1848 PolarHBondContact N-O 3.03Å; G1845-Y1848 VanDerWaalsContact N-O 3.13Å; G1845-Y1848 CarbonylContact O-C 3.53Å; G1845-Y1848 VanDerWaalsContact O-C 3.32Å; G1845-Y1848 PolarHBondContact O-N 3.05Å; G1845-Y1848 VanDerWaalsContact O-O 3.12Å; Y1848-L1859 HydrophobicContact CD1-CD1 4.27Å; Y1848-D1860 WeakPolarHBondContact CA-O 3.34Å; Y1848-I1861 HydrophobicContact CD1-CD1 4.4Å; Y1848-I1861 HydrophobicContact CD1-CG1 3.99Å; Y1848-I1861 HydrophobicContact CD1-CG2 4.36Å; Y1848-I1861 HydrophobicContact CE1-CD1 4.25Å; Y1848-I1861 HydrophobicContact CE1-CG1 4.13Å; Y1848-I1861 HydrophobicContact CE1-CG2 4.1Å; Y1848-D1868 PolarHBondContact OH-OD1 2.97Å; Y1848-D1868 VanDerWaalsContact OH-OD1 3.07Å; Y1848-Y1872 HydrophobicContact CE1-CE1 4.31Å |
| 1849 | A | 86.5 | Confident | 84.2 | Confident | 48.4 Ų | 48.4 | 71.9 Ų | 71.9 | 40% | 0.4 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 138.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L1859 D1860 | A1849-L1859 WeakPolarHBondContact O-CA 3.24Å; A1849-D1860 HydrophobicContact CB-CB 4.28Å; A1849-D1860 PolarHBondContact N-O 2.93Å; A1849-D1860 PolarHBondContact O-N 2.94Å |
| 1850 | F | 88.9 | Confident | 84.6 | Confident | 62.4 Ų | 62.4 | 68 Ų | 68 | 27% | 0.274 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 135.8 | 176.5 | -41.8 | -44.4 | 0 | 0 | 0 | 109.4 | W1835 L1842 S1843 T1844 T1858 L1859 | W1835-F1850 HydrophobicContact CB-CD1 4.27Å; W1835-F1850 HydrophobicContact CB-CE1 4.21Å; W1835-F1850 HydrophobicContact CB-CZ 4.41Å; W1835-F1850 AromaticContact CD1-CD1 3.74Å; W1835-F1850 AromaticContact CD1-CE1 3.67Å; W1835-F1850 AromaticContact CD1-CG 3.82Å; W1835-F1850 AromaticContact CG-CD1 3.84Å; W1835-F1850 HydrophobicContact CG-CD1 4.25Å; W1835-F1850 AromaticContact CG-CE1 3.76Å; W1835-F1850 HydrophobicContact CG-CE1 4.17Å; W1835-F1850 AromaticContact NE1-CD1 3.78Å; L1842-F1850 HydrophobicContact CB-CE1 4.25Å; L1842-F1850 HydrophobicContact CB-CZ 3.83Å; L1842-F1850 WeakPolarHBondContact O-CZ 3.36Å; S1843-F1850 VanDerWaalsContact C-CZ 3.47Å; T1844-F1850 HydrophobicContact CG2-CD2 4.14Å; T1844-F1850 HydrophobicContact CG2-CE2 3.94Å; T1844-F1850 HydrophobicContact CG2-CG 4.46Å; T1844-F1850 VanDerWaalsContact N-CE2 3.3Å; T1844-F1850 VanDerWaalsContact OG1-CD2 3.23Å; T1844-F1850 WeakPolarHBondContact OG1-CD2 3.36Å; T1844-F1850 VanDerWaalsContact OG1-CE2 3.25Å; T1844-F1850 WeakPolarHBondContact OG1-CE2 3.35Å; F1850-T1858 VanDerWaalsContact CA-O 3.32Å; F1850-T1858 WeakPolarHBondContact CA-O 3.38Å; F1850-L1859 HydrophobicContact CD1-CB 4.45Å; F1850-L1859 HydrophobicContact CD1-CD1 3.65Å; F1850-L1859 HydrophobicContact CE1-CD1 3.57Å; F1850-L1859 VanDerWaalsContact CE1-CD1 3.48Å |
| 1851 | S | 85.7 | Confident | 85 | Confident | 56.4 Ų | 56.4 | 60.7 Ų | 60.7 | 39% | 0.394 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 151.1 | 166.3 | 157.9 | 0 | 0 | 0 | 0 | 111.5 | D1853 C1857 T1858 | S1851-D1853 PolarHBondContact OG-OD2 2.87Å; S1851-C1857 CarbonylContact O-C 3.43Å; S1851-C1857 VanDerWaalsContact O-CA 3.28Å; S1851-C1857 WeakPolarHBondContact O-CA 3.31Å; S1851-T1858 WeakPolarHBondContact CB-OG1 3.38Å; S1851-T1858 PolarHBondContact N-O 3.19Å; S1851-T1858 VanDerWaalsContact N-O 3.13Å; S1851-T1858 PolarHBondContact N-OG1 2.76Å; S1851-T1858 PolarHBondContact O-N 3.21Å; S1851-T1858 VanDerWaalsContact O-N 3.11Å; S1851-T1858 WeakPolarHBondContact OG-CB 3.39Å; S1851-T1858 WeakPolarHBondContact OG-CG2 3.36Å; S1851-T1858 PolarHBondContact OG-OG1 3.1Å |
| 1852 | K | 82.7 | Confident | 84.8 | Confident | 132.2 Ų | 132.2 | 57.9 Ų | 57.9 | 58% | 0.575 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 121.5 | 169.5 | 68.5 | 174 | -169 | 166.2 | 0 | 109.2 | I1833 F1856 | I1833-K1852 HydrophobicContact CD1-CB 4Å; I1833-K1852 HydrophobicContact CD1-CD 4.02Å; I1833-K1852 HydrophobicContact CD1-CG 4.46Å; I1833-K1852 HydrophobicContact CG1-CD 4.49Å; K1852-F1856 VanDerWaalsContact CA-O 3.29Å; K1852-F1856 WeakPolarHBondContact CA-O 3.34Å |
| 1853 | D | 79.5 | Confident | 84.8 | Confident | 95 Ų | 95 | 62.3 Ų | 62.3 | 51% | 0.508 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 133 | -178.2 | -109.3 | -34.9 | 0 | 0 | 0 | 110.6 | S1851 G1855 F1856 | S1851-D1853 PolarHBondContact OG-OD2 2.87Å; D1853-G1855 VanDerWaalsContact C-N 3.3Å; D1853-G1855 PolarHBondContact O-N 2.95Å; D1853-F1856 PolarHBondContact N-O 3.04Å; D1853-F1856 WeakPolarHBondContact O-CA 3.33Å; D1853-F1856 VanDerWaalsContact O-CB 3.31Å; D1853-F1856 WeakPolarHBondContact O-CB 3.31Å; D1853-F1856 PolarHBondContact O-N 2.94Å |
| 1854 | F | 82.3 | Confident | 85.1 | Confident | 138.6 Ų | 138.6 | 57.9 Ų | 57.9 | 61% | 0.608 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.9 | 36.6 | 173.3 | -59.4 | -77.9 | 0 | 0 | 0 | 116.9 | M1052 N1053 F1057 F1856 | M1052-F1854 HydrophobicContact CB-CE1 3.53Å; M1052-F1854 HydrophobicContact CB-CZ 3.56Å; M1052-F1854 VanDerWaalsContact O-CE1 3.3Å; M1052-F1854 WeakPolarHBondContact O-CE1 3.22Å; N1053-F1854 WeakPolarHBondContact O-CZ 3.38Å; F1057-F1854 HydrophobicContact CE2-CD1 4.16Å; F1057-F1854 HydrophobicContact CE2-CE1 4.47Å; F1854-F1856 WeakPolarHBondContact O-CD2 3.43Å |
| 1855 | G | 83.3 | Confident | 85.6 | Confident | 3.4 Ų | 3.4 | 57.7 Ų | 57.7 | 4% | 0.035 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | 1.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q1822 Y1823 V1826 D1853 | Q1822-G1855 CarbonylContact C-O 3.49Å; Q1822-G1855 VanDerWaalsContact CA-O 3.23Å; Q1822-G1855 WeakPolarHBondContact CA-O 3.36Å; Y1823-G1855 VanDerWaalsContact CD1-O 3.25Å; Y1823-G1855 WeakPolarHBondContact CD1-O 3.3Å; Y1823-G1855 VanDerWaalsContact CE1-C 3.47Å; Y1823-G1855 VanDerWaalsContact CE1-O 3.22Å; Y1823-G1855 WeakPolarHBondContact CE1-O 3.42Å; Y1823-G1855 PolarHBondContact N-O 3Å; V1826-G1855 VanDerWaalsContact CG1-N 3.33Å; V1826-G1855 VanDerWaalsContact CG2-CA 3.45Å; D1853-G1855 VanDerWaalsContact C-N 3.3Å; D1853-G1855 PolarHBondContact O-N 2.95Å |
| 1856 | F | 88 | Confident | 86 | Confident | 91 Ų | 91 | 58.1 Ų | 58.1 | 40% | 0.399 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 145.7 | 174.2 | -64.4 | -104.2 | 0 | 0 | 0 | 110.6 | C1821 Q1822 Y1823 K1852 D1853 F1854 | C1821-F1856 CarbonylContact O-C 3.5Å; C1821-F1856 WeakPolarHBondContact O-CA 3.34Å; Q1822-F1856 VanDerWaalsContact CD-CE1 3.41Å; Q1822-F1856 VanDerWaalsContact CD-CZ 3.48Å; Q1822-F1856 HydrophobicContact CG-CD1 3.62Å; Q1822-F1856 HydrophobicContact CG-CD2 4.43Å; Q1822-F1856 HydrophobicContact CG-CE1 3.63Å; Q1822-F1856 VanDerWaalsContact CG-CE1 3.48Å; Q1822-F1856 HydrophobicContact CG-CE2 4.36Å; Q1822-F1856 HydrophobicContact CG-CG 4.19Å; Q1822-F1856 HydrophobicContact CG-CZ 4.17Å; Q1822-F1856 VanDerWaalsContact NE2-CE1 3.27Å; Y1823-F1856 WeakPolarHBondContact CE1-O 3.37Å; K1852-F1856 VanDerWaalsContact CA-O 3.29Å; K1852-F1856 WeakPolarHBondContact CA-O 3.34Å; D1853-F1856 PolarHBondContact N-O 3.04Å; D1853-F1856 WeakPolarHBondContact O-CA 3.33Å; D1853-F1856 VanDerWaalsContact O-CB 3.31Å; D1853-F1856 WeakPolarHBondContact O-CB 3.31Å; D1853-F1856 PolarHBondContact O-N 2.94Å; F1854-F1856 WeakPolarHBondContact O-CD2 3.43Å |
| 1857 | C | 88.3 | Confident | 86.6 | Confident | 1.4 Ų | 1.4 | 60.1 Ų | 60.1 | 1% | 0.009 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 128.1 | 172.4 | 37.1 | 0 | 0 | 0 | 0 | 109.5 | D1820 C1821 Y1823 I1833 W1835 S1851 C1874 | D1820-C1857 CarbonylContact C-O 3.57Å; D1820-C1857 WeakPolarHBondContact CA-O 3.39Å; C1821-C1857 VanDerWaalsContact C-SG 3.52Å; C1821-C1857 WeakPolarHBondContact CB-SG 3.39Å; C1821-C1857 PolarHBondContact N-O 3.18Å; C1821-C1857 PolarHBondContact O-N 2.89Å; C1821-C1857 PolarHBondContact O-SG 2.98Å; C1821-C1857 VanDerWaalsContact O-SG 3.36Å; C1821-C1857 WeakPolarHBondContact SG-CB 3.36Å; C1821-C1857 PolarHBondContact SG-O 3.04Å; C1821-C1857 CovalentContact SG-SG 2.05Å; C1821-C1857 PolarHBondContact SG-SG 2.97Å; Y1823-C1857 HydrophobicContact CD1-CB 4.35Å; Y1823-C1857 HydrophobicContact CE1-CB 4.26Å; Y1823-C1857 WeakPolarHBondContact CE1-SG 3.31Å; I1833-C1857 HydrophobicContact CD1-CB 4.4Å; I1833-C1857 WeakPolarHBondContact CD1-SG 3.28Å; I1833-C1857 HydrophobicContact CG2-CB 4.45Å; W1835-C1857 HydrophobicContact CZ2-CB 4.38Å; W1835-C1857 WeakPolarHBondContact CZ2-SG 3.37Å; S1851-C1857 CarbonylContact O-C 3.43Å; S1851-C1857 VanDerWaalsContact O-CA 3.28Å; S1851-C1857 WeakPolarHBondContact O-CA 3.31Å; C1857-C1874 PolarHBondContact SG-SG 2.88Å |
| 1858 | T | 92.6 | Very high | 86.9 | Confident | 25.4 Ų | 25.4 | 58.8 Ų | 58.8 | 16% | 0.156 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 150.7 | 175.1 | 72 | 0 | 0 | 0 | 0 | 112.2 | F1819 D1820 W1835 F1850 S1851 D1860 | F1819-T1858 CarbonylContact O-C 3.43Å; F1819-T1858 VanDerWaalsContact O-CA 3.26Å; F1819-T1858 WeakPolarHBondContact O-CA 3.37Å; D1820-T1858 HydrophobicContact CB-CG2 4.19Å; W1835-T1858 VanDerWaalsContact CZ2-C 3.46Å; W1835-T1858 WeakPolarHBondContact CZ2-O 3.26Å; W1835-T1858 PolarHBondContact NE1-O 2.89Å; W1835-T1858 VanDerWaalsContact NE1-O 3.17Å; F1850-T1858 VanDerWaalsContact CA-O 3.32Å; F1850-T1858 WeakPolarHBondContact CA-O 3.38Å; S1851-T1858 WeakPolarHBondContact CB-OG1 3.38Å; S1851-T1858 PolarHBondContact N-O 3.19Å; S1851-T1858 VanDerWaalsContact N-O 3.13Å; S1851-T1858 PolarHBondContact N-OG1 2.76Å; S1851-T1858 PolarHBondContact O-N 3.21Å; S1851-T1858 VanDerWaalsContact O-N 3.11Å; S1851-T1858 WeakPolarHBondContact OG-CB 3.39Å; S1851-T1858 WeakPolarHBondContact OG-CG2 3.36Å; S1851-T1858 PolarHBondContact OG-OG1 3.1Å; T1858-D1860 PolarHBondContact OG1-OD2 3.08Å; T1858-D1860 VanDerWaalsContact OG1-OD2 3.08Å |
| 1859 | L | 92.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 118.9 | 166.2 | 162.9 | 66.1 | 0 | 0 | 0 | 108.2 | F1819 W1835 L1842 Y1848 A1849 F1850 I1861 Y1872 | F1819-L1859 HydrophobicContact CB-CB 4.09Å; F1819-L1859 HydrophobicContact CB-CD2 4.44Å; F1819-L1859 HydrophobicContact CB-CG 4.44Å; F1819-L1859 HydrophobicContact CD2-CD2 4.16Å; F1819-L1859 HydrophobicContact CD2-CG 4.44Å; F1819-L1859 PolarHBondContact N-O 3.11Å; F1819-L1859 PolarHBondContact O-N 3.07Å; W1835-L1859 HydrophobicContact CD2-CB 3.86Å; W1835-L1859 HydrophobicContact CD2-CD2 4.18Å; W1835-L1859 HydrophobicContact CE3-CB 3.86Å; W1835-L1859 HydrophobicContact CE3-CD2 3.66Å; W1835-L1859 HydrophobicContact CE3-CG 4.38Å; W1835-L1859 HydrophobicContact CG-CB 4.45Å; W1835-L1859 HydrophobicContact CH2-CB 3.55Å; W1835-L1859 HydrophobicContact CH2-CD2 4.48Å; W1835-L1859 HydrophobicContact CZ2-CB 3.58Å; W1835-L1859 HydrophobicContact CZ3-CB 3.7Å; W1835-L1859 HydrophobicContact CZ3-CD2 3.87Å; W1835-L1859 HydrophobicContact CZ3-CG 4.44Å; L1842-L1859 HydrophobicContact CD1-CD1 4.41Å; L1842-L1859 HydrophobicContact CD1-CD2 4.12Å; Y1848-L1859 HydrophobicContact CD1-CD1 4.27Å; A1849-L1859 WeakPolarHBondContact O-CA 3.24Å; F1850-L1859 HydrophobicContact CD1-CB 4.45Å; F1850-L1859 HydrophobicContact CD1-CD1 3.65Å; F1850-L1859 HydrophobicContact CE1-CD1 3.57Å; F1850-L1859 VanDerWaalsContact CE1-CD1 3.48Å; L1859-I1861 HydrophobicContact CD1-CG1 4.47Å; L1859-I1861 HydrophobicContact CG-CG1 4.41Å; L1859-Y1872 HydrophobicContact CD2-CD1 3.37Å; L1859-Y1872 VanDerWaalsContact CD2-CD1 3.45Å; L1859-Y1872 HydrophobicContact CD2-CE1 3.91Å; L1859-Y1872 HydrophobicContact CD2-CG 4.21Å |
| 1860 | D | 91.5 | Very high | 87 | Confident | 63 Ų | 63 | 56.9 Ų | 56.9 | 34% | 0.337 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125 | 178.6 | -70.9 | -76.3 | 0 | 0 | 0 | 110 | H1818 Y1848 A1849 T1858 | H1818-D1860 IonicContact CE1-OD1 3.68Å; H1818-D1860 IonicContact CE1-OD2 3.15Å; H1818-D1860 IonicContact CG-OD1 3.32Å; H1818-D1860 IonicContact ND1-OD1 2.91Å; H1818-D1860 PolarHBondContact ND1-OD1 3.18Å; H1818-D1860 IonicContact ND1-OD2 2.87Å; Y1848-D1860 WeakPolarHBondContact CA-O 3.34Å; A1849-D1860 HydrophobicContact CB-CB 4.28Å; A1849-D1860 PolarHBondContact N-O 2.93Å; A1849-D1860 PolarHBondContact O-N 2.94Å; T1858-D1860 PolarHBondContact OG1-OD2 3.08Å; T1858-D1860 VanDerWaalsContact OG1-OD2 3.08Å |
| 1861 | I | 91.6 | Very high | 87.2 | Confident | 1.6 Ų | 1.6 | 57 Ų | 57 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 108.7 | 177.1 | -49.6 | 178.8 | 0 | 0 | 0 | 107.6 | P1816 A1817 F1819 K1847 Y1848 L1859 Y1863 A1864 Y1872 L1889 | P1816-I1861 CarbonylContact C-O 3.56Å; P1816-I1861 VanDerWaalsContact CA-O 3.22Å; P1816-I1861 WeakPolarHBondContact CA-O 3.34Å; P1816-I1861 WeakPolarHBondContact CB-O 3.37Å; A1817-I1861 HydrophobicContact CB-CB 4.2Å; A1817-I1861 HydrophobicContact CB-CD1 4.29Å; A1817-I1861 HydrophobicContact CB-CG1 4.43Å; A1817-I1861 PolarHBondContact N-O 2.93Å; A1817-I1861 WeakPolarHBondContact O-CB 3.27Å; A1817-I1861 PolarHBondContact O-N 2.97Å; F1819-I1861 HydrophobicContact CD2-CD1 4.36Å; F1819-I1861 HydrophobicContact CE2-CD1 4.17Å; K1847-I1861 VanDerWaalsContact O-CA 3.31Å; K1847-I1861 WeakPolarHBondContact O-CA 3.35Å; Y1848-I1861 HydrophobicContact CD1-CD1 4.4Å; Y1848-I1861 HydrophobicContact CD1-CG1 3.99Å; Y1848-I1861 HydrophobicContact CD1-CG2 4.36Å; Y1848-I1861 HydrophobicContact CE1-CD1 4.25Å; Y1848-I1861 HydrophobicContact CE1-CG1 4.13Å; Y1848-I1861 HydrophobicContact CE1-CG2 4.1Å; L1859-I1861 HydrophobicContact CD1-CG1 4.47Å; L1859-I1861 HydrophobicContact CG-CG1 4.41Å; I1861-Y1863 VanDerWaalsContact C-N 3.32Å; I1861-Y1863 PolarHBondContact O-N 3.22Å; I1861-A1864 HydrophobicContact CG2-CB 4.46Å; I1861-Y1872 HydrophobicContact CD1-CE1 3.9Å; I1861-Y1872 HydrophobicContact CD1-CE2 4.31Å; I1861-L1889 HydrophobicContact CD1-CD2 3.75Å |
| 1862 | G | 83.7 | Confident | 87.6 | Confident | 40 Ų | 40 | 54.3 Ų | 54.3 | 41% | 0.412 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -64.1 | -32.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P1816 K1847 | P1816-G1862 WeakPolarHBondContact CB-O 3.18Å; K1847-G1862 PolarHBondContact O-N 3.23Å; K1847-G1862 VanDerWaalsContact O-N 3.12Å |
| 1863 | Y | 86.2 | Confident | 88.1 | Confident | 122 Ų | 122 | 48.9 Ų | 48.9 | 48% | 0.478 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -153 | 121.5 | 175.7 | 11 | -87.3 | 0 | 0 | 0 | 109.5 | K1847 I1861 Y1865 | K1847-Y1863 HydrophobicContact CD-CD2 4.44Å; K1847-Y1863 HydrophobicContact CD-CE2 4.01Å; K1847-Y1863 VanDerWaalsContact CE-O 3.26Å; K1847-Y1863 WeakPolarHBondContact CE-O 3.36Å; K1847-Y1863 HydrophobicContact CG-CD2 4.42Å; K1847-Y1863 HydrophobicContact CG-CE2 4.1Å; I1861-Y1863 VanDerWaalsContact C-N 3.32Å; I1861-Y1863 PolarHBondContact O-N 3.22Å; Y1863-Y1865 HydrophobicContact CD2-CD2 4.21Å; Y1863-Y1865 AromaticContact CD2-CE2 3.65Å; Y1863-Y1865 HydrophobicContact CD2-CE2 3.65Å; Y1863-Y1865 AromaticContact CE2-CE2 3.99Å; Y1863-Y1865 HydrophobicContact CE2-CE2 4.04Å |
| 1864 | A | 87 | Confident | 88.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -95.8 | 132.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1811 E1813 G1814 E1815 A1817 I1861 L1889 C1891 | V1811-A1864 HydrophobicContact CG2-CB 3.66Å; E1813-A1864 CarbonylContact C-O 3.56Å; E1813-A1864 WeakPolarHBondContact CA-O 3.3Å; G1814-A1864 PolarHBondContact N-O 3Å; E1815-A1864 WeakPolarHBondContact O-CB 3.4Å; E1815-A1864 PolarHBondContact O-N 3.16Å; A1817-A1864 HydrophobicContact CB-CB 4.48Å; I1861-A1864 HydrophobicContact CG2-CB 4.46Å; A1864-L1889 HydrophobicContact CB-CD2 4.37Å; A1864-C1891 HydrophobicContact CB-CB 4.41Å; A1864-C1891 PolarHBondContact O-SG 3.1Å; A1864-C1891 VanDerWaalsContact O-SG 3.39Å | ||
| 1865 | Y | 86.5 | Confident | 89.1 | Confident | 96.2 Ų | 96.2 | 40.2 Ų | 40.2 | 38% | 0.377 | 21% | 0.212 | S | C | . | . | trans | -111.4 | 163.7 | 171.4 | -71.6 | -81.7 | 0 | 0 | 0 | 110.8 | E1813 Y1863 E1867 D1868 C1891 | E1813-Y1865 HydrophobicContact CG-CD1 3.83Å; E1813-Y1865 HydrophobicContact CG-CE1 4.25Å; Y1863-Y1865 HydrophobicContact CD2-CD2 4.21Å; Y1863-Y1865 AromaticContact CD2-CE2 3.65Å; Y1863-Y1865 HydrophobicContact CD2-CE2 3.65Å; Y1863-Y1865 AromaticContact CE2-CE2 3.99Å; Y1863-Y1865 HydrophobicContact CE2-CE2 4.04Å; Y1865-E1867 VanDerWaalsContact CB-CD 3.47Å; Y1865-E1867 PolarHBondContact O-N 2.86Å; Y1865-E1867 VanDerWaalsContact O-N 3.11Å; Y1865-D1868 PolarHBondContact N-OD2 3.03Å; Y1865-D1868 WeakPolarHBondContact O-CB 3.34Å; Y1865-D1868 PolarHBondContact O-N 3.18Å; Y1865-C1891 VanDerWaalsContact O-CB 3.3Å; Y1865-C1891 WeakPolarHBondContact O-CB 3.33Å | ||
| 1866 | P | 83.6 | Confident | 89.5 | Confident | 48.6 Ų | 48.6 | 40 Ų | 40 | 32% | 0.316 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -53.4 | -33.1 | 178.3 | -29 | 36.8 | 0 | 0 | 0 | 113.7 | D1868 S1869 P1893 | P1866-D1868 VanDerWaalsContact C-N 3.31Å; P1866-D1868 PolarHBondContact O-N 3.16Å; P1866-S1869 VanDerWaalsContact O-CB 3.24Å; P1866-S1869 WeakPolarHBondContact O-CB 3.34Å; P1866-S1869 PolarHBondContact O-N 2.95Å; P1866-S1869 VanDerWaalsContact O-N 3.13Å; P1866-S1869 PolarHBondContact O-OG 2.84Å; P1866-P1893 HydrophobicContact CB-CB 4.43Å; P1866-P1893 HydrophobicContact CG-CB 3.69Å; P1866-P1893 HydrophobicContact CG-CG 4.46Å |
| 1867 | E | 85.4 | Confident | 89.6 | Confident | 158.2 Ų | 158.2 | 36.6 Ų | 36.6 | 74% | 0.739 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -70 | -19.6 | 175.6 | 57.1 | -161.5 | -140.1 | 0 | 0 | 115.3 | K1847 Y1865 S1869 | K1847-E1867 IonicContact NZ-OE1 2.7Å; Y1865-E1867 VanDerWaalsContact CB-CD 3.47Å; Y1865-E1867 PolarHBondContact O-N 2.86Å; Y1865-E1867 VanDerWaalsContact O-N 3.11Å; E1867-S1869 VanDerWaalsContact C-N 3.3Å; E1867-S1869 PolarHBondContact O-N 3.18Å |
| 1868 | D | 88.9 | Confident | 89.5 | Confident | 9 Ų | 9 | 37.6 Ų | 37.6 | 5% | 0.048 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -79.5 | -12.3 | 172.9 | -60.4 | -57.3 | 0 | 0 | 0 | 112.1 | K1847 Y1848 Y1865 P1866 G1870 Y1872 L1889 | K1847-D1868 VanDerWaalsContact CE-OD1 3.23Å; K1847-D1868 WeakPolarHBondContact CE-OD1 3.37Å; K1847-D1868 WeakPolarHBondContact CE-OD2 3.39Å; K1847-D1868 IonicContact NZ-OD1 2.91Å; K1847-D1868 PolarHBondContact NZ-OD1 3Å; K1847-D1868 IonicContact NZ-OD2 3.02Å; K1847-D1868 PolarHBondContact NZ-OD2 3.05Å; Y1848-D1868 PolarHBondContact OH-OD1 2.97Å; Y1848-D1868 VanDerWaalsContact OH-OD1 3.07Å; Y1865-D1868 PolarHBondContact N-OD2 3.03Å; Y1865-D1868 WeakPolarHBondContact O-CB 3.34Å; Y1865-D1868 PolarHBondContact O-N 3.18Å; P1866-D1868 VanDerWaalsContact C-N 3.31Å; P1866-D1868 PolarHBondContact O-N 3.16Å; D1868-G1870 PolarHBondContact O-N 2.95Å; D1868-Y1872 VanDerWaalsContact O-CE2 3.23Å; D1868-Y1872 WeakPolarHBondContact O-CE2 3.42Å; D1868-Y1872 PolarHBondContact O-OH 2.83Å; D1868-L1889 HydrophobicContact CB-CD2 4.09Å |
| 1869 | S | 88.9 | Confident | 89 | Confident | 39 Ų | 39 | 44.5 Ų | 44.5 | 27% | 0.273 | 23% | 0.226 | S | C | . | . | trans | -58.9 | 130.3 | 177.2 | -54.4 | 0 | 0 | 0 | 0 | 110.8 | N1838 P1866 E1867 L1889 C1891 | N1838-S1869 PolarHBondContact ND2-O 3.4Å; P1866-S1869 VanDerWaalsContact O-CB 3.24Å; P1866-S1869 WeakPolarHBondContact O-CB 3.34Å; P1866-S1869 PolarHBondContact O-N 2.95Å; P1866-S1869 VanDerWaalsContact O-N 3.13Å; P1866-S1869 PolarHBondContact O-OG 2.84Å; E1867-S1869 VanDerWaalsContact C-N 3.3Å; E1867-S1869 PolarHBondContact O-N 3.18Å; S1869-L1889 CarbonylContact C-O 3.57Å; S1869-L1889 VanDerWaalsContact CA-O 3.26Å; S1869-L1889 WeakPolarHBondContact CA-O 3.32Å; S1869-L1889 WeakPolarHBondContact CB-O 3.29Å; S1869-C1891 WeakPolarHBondContact OG-CB 3.38Å; S1869-C1891 PolarHBondContact OG-N 2.8Å; S1869-C1891 PolarHBondContact OG-O 3.27Å | ||
| 1870 | G | 90.4 | Very high | 88.4 | Confident | 11.6 Ų | 11.6 | 47.1 Ų | 47.1 | 12% | 0.12 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.9 | 176.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1838 D1868 Y1872 T1888 L1889 | N1838-G1870 WeakPolarHBondContact ND2-CA 3.34Å; N1838-G1870 VanDerWaalsContact OD1-CA 3.29Å; N1838-G1870 WeakPolarHBondContact OD1-CA 3.35Å; D1868-G1870 PolarHBondContact O-N 2.95Å; G1870-Y1872 WeakPolarHBondContact O-CD2 3.42Å; G1870-Y1872 PolarHBondContact O-N 2.89Å; G1870-T1888 CarbonylContact O-C 3.53Å; G1870-T1888 WeakPolarHBondContact O-CA 3.38Å; G1870-L1889 PolarHBondContact N-O 3.04Å; G1870-L1889 PolarHBondContact O-N 3.16Å |
| 1871 | V | 93.1 | Very high | 88.1 | Confident | 64 Ų | 64 | 45.3 Ų | 45.3 | 39% | 0.388 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 112.1 | 172.4 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | N1838 T1888 | N1838-V1871 PolarHBondContact N-O 2.99Å; N1838-V1871 PolarHBondContact OD1-N 3.11Å; V1871-T1888 HydrophobicContact CB-CG2 4.48Å; V1871-T1888 HydrophobicContact CG2-CG2 4.23Å |
| 1872 | Y | 93.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 129.2 | 171.7 | -73.9 | -96.6 | 0 | 0 | 0 | 108.9 | F1819 F1836 C1837 L1842 Y1848 L1859 I1861 D1868 G1870 S1886 G1887 L1889 | F1819-Y1872 HydrophobicContact CD2-CG 4.34Å; F1819-Y1872 HydrophobicContact CE2-CD1 4.42Å; F1819-Y1872 AromaticContact CE2-CD2 3.79Å; F1819-Y1872 HydrophobicContact CE2-CD2 3.79Å; F1819-Y1872 HydrophobicContact CE2-CE2 4.36Å; F1819-Y1872 AromaticContact CE2-CG 3.86Å; F1819-Y1872 HydrophobicContact CE2-CG 3.89Å; F1819-Y1872 AromaticContact CZ-CD2 3.89Å; F1819-Y1872 HydrophobicContact CZ-CD2 3.95Å; F1819-Y1872 HydrophobicContact CZ-CG 4.23Å; F1836-Y1872 CarbonylContact O-C 3.55Å; F1836-Y1872 VanDerWaalsContact O-CA 3.28Å; F1836-Y1872 WeakPolarHBondContact O-CA 3.31Å; C1837-Y1872 HydrophobicContact CB-CD1 4Å; C1837-Y1872 HydrophobicContact CB-CE1 3.68Å; C1837-Y1872 HydrophobicContact CB-CE2 4.47Å; C1837-Y1872 HydrophobicContact CB-CG 4.47Å; C1837-Y1872 VanDerWaalsContact SG-CZ 3.55Å; L1842-Y1872 HydrophobicContact CD1-CD1 3.68Å; L1842-Y1872 HydrophobicContact CD1-CE1 3.68Å; L1842-Y1872 HydrophobicContact CD2-CE1 4.34Å; Y1848-Y1872 HydrophobicContact CE1-CE1 4.31Å; L1859-Y1872 HydrophobicContact CD2-CD1 3.37Å; L1859-Y1872 VanDerWaalsContact CD2-CD1 3.45Å; L1859-Y1872 HydrophobicContact CD2-CE1 3.91Å; L1859-Y1872 HydrophobicContact CD2-CG 4.21Å; I1861-Y1872 HydrophobicContact CD1-CE1 3.9Å; I1861-Y1872 HydrophobicContact CD1-CE2 4.31Å; D1868-Y1872 VanDerWaalsContact O-CE2 3.23Å; D1868-Y1872 WeakPolarHBondContact O-CE2 3.42Å; D1868-Y1872 PolarHBondContact O-OH 2.83Å; G1870-Y1872 WeakPolarHBondContact O-CD2 3.42Å; G1870-Y1872 PolarHBondContact O-N 2.89Å; Y1872-S1886 CarbonylContact O-C 3.56Å; Y1872-S1886 WeakPolarHBondContact O-CA 3.33Å; Y1872-G1887 PolarHBondContact N-O 3.08Å; Y1872-G1887 PolarHBondContact O-N 2.96Å; Y1872-G1887 VanDerWaalsContact O-O 3.09Å; Y1872-L1889 HydrophobicContact CD2-CB 3.8Å; Y1872-L1889 HydrophobicContact CE2-CB 3.57Å; Y1872-L1889 VanDerWaalsContact CE2-CB 3.48Å; Y1872-L1889 HydrophobicContact CE2-CD2 3.82Å; Y1872-L1889 HydrophobicContact CE2-CG 4.36Å |
| 1873 | S | 92.5 | Very high | 88.3 | Confident | 19.6 Ų | 19.6 | 50.3 Ų | 50.3 | 14% | 0.137 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 130.4 | 178.6 | 61.2 | 0 | 0 | 0 | 0 | 112.2 | W1835 F1836 T1885 | W1835-S1873 CarbonylContact C-O 3.52Å; W1835-S1873 WeakPolarHBondContact CA-O 3.3Å; F1836-S1873 WeakPolarHBondContact CB-OG 3.14Å; F1836-S1873 PolarHBondContact N-O 2.87Å; F1836-S1873 PolarHBondContact O-N 3.13Å; S1873-T1885 CarbonylContact C-O 3.52Å; S1873-T1885 WeakPolarHBondContact CA-O 3.35Å; S1873-T1885 VanDerWaalsContact CB-O 3.27Å; S1873-T1885 WeakPolarHBondContact CB-O 3.33Å |
| 1874 | C | 91.9 | Very high | 88.6 | Confident | 0.2 Ų | 0.2 | 48.4 Ų | 48.4 | 0% | 0.001 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 126.8 | 170.2 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | L1806 C1821 I1833 W1835 C1857 S1884 T1885 | L1806-C1874 HydrophobicContact CD1-CB 4.16Å; C1821-C1874 VanDerWaalsContact SG-SG 3.64Å; I1833-C1874 VanDerWaalsContact CG2-SG 3.56Å; W1835-C1874 HydrophobicContact CD2-CB 4.03Å; W1835-C1874 HydrophobicContact CE3-CB 3.82Å; W1835-C1874 HydrophobicContact CH2-CB 3.93Å; W1835-C1874 HydrophobicContact CZ2-CB 4.08Å; W1835-C1874 HydrophobicContact CZ3-CB 3.79Å; C1857-C1874 PolarHBondContact SG-SG 2.88Å; C1874-S1884 CarbonylContact O-C 3.57Å; C1874-S1884 VanDerWaalsContact O-CA 3.24Å; C1874-S1884 WeakPolarHBondContact O-CA 3.43Å; C1874-S1884 WeakPolarHBondContact O-CB 3.36Å; C1874-T1885 HydrophobicContact CB-CG2 3.98Å; C1874-T1885 PolarHBondContact N-O 3.14Å; C1874-T1885 PolarHBondContact O-N 3.04Å |
| 1875 | K | 92 | Very high | 88.8 | Confident | 49 Ų | 49 | 48.7 Ų | 48.7 | 21% | 0.213 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 124.8 | 175.3 | -179.8 | 176.1 | 173.9 | 162.9 | 0 | 109.3 | I1833 E1834 F1836 E1882 | I1833-K1875 CarbonylContact C-O 3.54Å; I1833-K1875 VanDerWaalsContact CA-O 3.31Å; I1833-K1875 WeakPolarHBondContact CA-O 3.42Å; E1834-K1875 HydrophobicContact CB-CB 4.48Å; E1834-K1875 PolarHBondContact N-O 2.95Å; E1834-K1875 PolarHBondContact O-N 3.1Å; F1836-K1875 HydrophobicContact CD2-CB 4.42Å; F1836-K1875 HydrophobicContact CE2-CB 3.88Å; F1836-K1875 HydrophobicContact CE2-CD 4.31Å; F1836-K1875 HydrophobicContact CZ-CD 4.5Å; K1875-E1882 VanDerWaalsContact CE-CD 3.44Å; K1875-E1882 WeakPolarHBondContact CE-OE1 3.38Å; K1875-E1882 VanDerWaalsContact CE-OE2 3.29Å; K1875-E1882 WeakPolarHBondContact CE-OE2 3.32Å; K1875-E1882 IonicContact NZ-OE1 3.32Å; K1875-E1882 PolarHBondContact NZ-OE1 3.19Å; K1875-E1882 IonicContact NZ-OE2 3.05Å; K1875-E1882 PolarHBondContact NZ-OE2 3.12Å |
| 1876 | V | 91.3 | Very high | 89.1 | Confident | 0.8 Ų | 0.8 | 47.5 Ų | 47.5 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 123.7 | 176.6 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | P1800 Y1823 L1831 K1832 I1833 E1882 A1883 | P1800-V1876 HydrophobicContact CB-CB 4.49Å; P1800-V1876 HydrophobicContact CB-CG1 3.96Å; P1800-V1876 HydrophobicContact CG-CG1 4.42Å; P1800-V1876 WeakPolarHBondContact CG-O 3.26Å; Y1823-V1876 HydrophobicContact CD1-CG2 4.41Å; Y1823-V1876 HydrophobicContact CD2-CG1 4.34Å; Y1823-V1876 HydrophobicContact CG-CG1 4.33Å; Y1823-V1876 HydrophobicContact CG-CG2 4.42Å; L1831-V1876 HydrophobicContact CD1-CG1 3.64Å; L1831-V1876 HydrophobicContact CD2-CG1 3.76Å; L1831-V1876 HydrophobicContact CG-CG1 3.69Å; K1832-V1876 CarbonylContact O-C 3.46Å; K1832-V1876 WeakPolarHBondContact O-CA 3.11Å; I1833-V1876 HydrophobicContact CG1-CB 4.48Å; I1833-V1876 HydrophobicContact CG1-CG1 4.3Å; I1833-V1876 HydrophobicContact CG1-CG2 4.3Å; V1876-E1882 CarbonylContact O-C 3.5Å; V1876-E1882 VanDerWaalsContact O-CA 3.3Å; V1876-E1882 WeakPolarHBondContact O-CA 3.27Å; V1876-A1883 PolarHBondContact N-O 3.04Å; V1876-A1883 PolarHBondContact O-N 2.95Å; V1876-A1883 VanDerWaalsContact O-O 3.09Å |
| 1877 | S | 89.7 | Confident | 89.4 | Confident | 19.8 Ų | 19.8 | 45.2 Ų | 45.2 | 14% | 0.138 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 143.4 | -175.1 | 57.8 | 0 | 0 | 0 | 0 | 111.8 | L1831 K1832 G1881 | L1831-S1877 CarbonylContact C-O 3.53Å; L1831-S1877 WeakPolarHBondContact CA-O 3.36Å; K1832-S1877 PolarHBondContact N-O 3.09Å; K1832-S1877 PolarHBondContact O-N 2.91Å; K1832-S1877 PolarHBondContact O-OG 2.95Å; K1832-S1877 VanDerWaalsContact O-OG 3.09Å; S1877-G1881 WeakPolarHBondContact CA-O 3.42Å |
| 1878 | N | 86.5 | Confident | 89.8 | Confident | 22.2 Ų | 22.2 | 40.5 Ų | 40.5 | 12% | 0.119 | 24% | 0.236 | C | C | . | . | trans | -137.5 | -164.7 | 171.1 | 74.1 | 2.1 | 0 | 0 | 0 | 110.3 | G1798 P1800 D1828 N1830 L1831 S1880 G1881 | G1798-N1878 PolarHBondContact O-ND2 3.07Å; G1798-N1878 PolarHBondContact O-OD1 2.82Å; P1800-N1878 VanDerWaalsContact CD-OD1 3.27Å; P1800-N1878 WeakPolarHBondContact CD-OD1 3.41Å; P1800-N1878 HydrophobicContact CG-CB 4.13Å; P1800-N1878 WeakPolarHBondContact CG-OD1 3.35Å; D1828-N1878 VanDerWaalsContact OD2-CB 3.29Å; D1828-N1878 WeakPolarHBondContact OD2-CB 3.31Å; D1828-N1878 VanDerWaalsContact OD2-CG 3.31Å; D1828-N1878 PolarHBondContact OD2-ND2 3.04Å; N1830-N1878 HydrophobicContact CB-CB 4.49Å; L1831-N1878 HydrophobicContact CD1-CB 4.38Å; N1878-S1880 VanDerWaalsContact C-N 3.3Å; N1878-S1880 PolarHBondContact O-N 2.98Å; N1878-S1880 WeakPolarHBondContact OD1-CA 3.34Å; N1878-S1880 WeakPolarHBondContact OD1-CB 3.43Å; N1878-S1880 PolarHBondContact OD1-N 2.94Å; N1878-G1881 PolarHBondContact N-O 2.97Å; N1878-G1881 PolarHBondContact O-N 2.91Å; N1878-G1881 VanDerWaalsContact O-O 3.12Å; N1878-G1881 PolarHBondContact OD1-N 3.1Å; N1878-G1881 PolarHBondContact OD1-O 3.18Å | ||
| 1879 | R | 81.9 | Confident | 89.9 | Confident | 168.8 Ų | 168.8 | 40.2 Ų | 40.2 | 64% | 0.637 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -67.3 | -27.3 | 178.9 | -47.6 | -173.9 | -175.3 | -173.9 | 6.8 | 114.1 | E1794 V1795 N1830 | E1794-R1879 VanDerWaalsContact CD-NH1 3.34Å; E1794-R1879 IonicContact OE1-CZ 3.43Å; E1794-R1879 IonicContact OE1-NH1 3.19Å; E1794-R1879 PolarHBondContact OE1-NH1 2.83Å; E1794-R1879 IonicContact OE1-NH2 2.66Å; E1794-R1879 PolarHBondContact OE1-NH2 2.91Å; E1794-R1879 IonicContact OE2-NH1 3.46Å; E1794-R1879 PolarHBondContact OE2-NH1 2.85Å; V1795-R1879 PolarHBondContact O-NH2 3.17Å; N1830-R1879 HydrophobicContact CB-CG 4.07Å; N1830-R1879 PolarHBondContact ND2-NE 3.44Å; N1830-R1879 VanDerWaalsContact OD1-CZ 3.25Å; N1830-R1879 PolarHBondContact OD1-NE 3.11Å; N1830-R1879 PolarHBondContact OD1-NH2 3.03Å |
| 1880 | S | 80.7 | Confident | 90 | Very high | 55.4 Ų | 55.4 | 43.4 Ų | 43.4 | 39% | 0.387 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -95 | -23.4 | -172.7 | -60.1 | 0 | 0 | 0 | 0 | 112.5 | D1796 G1798 T1799 N1878 | D1796-S1880 PolarHBondContact OD1-OG 3.06Å; G1798-S1880 VanDerWaalsContact C-CB 3.48Å; G1798-S1880 WeakPolarHBondContact O-CB 3.32Å; T1799-S1880 VanDerWaalsContact CG2-O 3.29Å; T1799-S1880 WeakPolarHBondContact CG2-O 3.35Å; N1878-S1880 VanDerWaalsContact C-N 3.3Å; N1878-S1880 PolarHBondContact O-N 2.98Å; N1878-S1880 WeakPolarHBondContact OD1-CA 3.34Å; N1878-S1880 WeakPolarHBondContact OD1-CB 3.43Å; N1878-S1880 PolarHBondContact OD1-N 2.94Å |
| 1881 | G | 85.4 | Confident | 89.9 | Confident | 24.8 Ų | 24.8 | 43.1 Ų | 43.1 | 26% | 0.256 | 24% | 0.24 | S | C | . | . | trans | 175 | -162.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P1800 S1877 N1878 | P1800-G1881 VanDerWaalsContact CD-C 3.43Å; P1800-G1881 VanDerWaalsContact CD-O 3.23Å; P1800-G1881 WeakPolarHBondContact CD-O 3.37Å; P1800-G1881 VanDerWaalsContact CG-O 3.28Å; P1800-G1881 WeakPolarHBondContact CG-O 3.26Å; S1877-G1881 WeakPolarHBondContact CA-O 3.42Å; N1878-G1881 PolarHBondContact N-O 2.97Å; N1878-G1881 PolarHBondContact O-N 2.91Å; N1878-G1881 VanDerWaalsContact O-O 3.12Å; N1878-G1881 PolarHBondContact OD1-N 3.1Å; N1878-G1881 PolarHBondContact OD1-O 3.18Å | ||
| 1882 | E | 90.2 | Very high | 89.3 | Confident | 126 Ų | 126 | 44.4 Ų | 44.4 | 59% | 0.589 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 147 | 176.7 | 61.2 | -178.3 | -121.9 | 0 | 0 | 111.4 | K1875 V1876 | K1875-E1882 VanDerWaalsContact CE-CD 3.44Å; K1875-E1882 WeakPolarHBondContact CE-OE1 3.38Å; K1875-E1882 VanDerWaalsContact CE-OE2 3.29Å; K1875-E1882 WeakPolarHBondContact CE-OE2 3.32Å; K1875-E1882 IonicContact NZ-OE1 3.32Å; K1875-E1882 PolarHBondContact NZ-OE1 3.19Å; K1875-E1882 IonicContact NZ-OE2 3.05Å; K1875-E1882 PolarHBondContact NZ-OE2 3.12Å; V1876-E1882 CarbonylContact O-C 3.5Å; V1876-E1882 VanDerWaalsContact O-CA 3.3Å; V1876-E1882 WeakPolarHBondContact O-CA 3.27Å |
| 1883 | A | 89.6 | Confident | 88.4 | Confident | 21.4 Ų | 21.4 | 48.6 Ų | 48.6 | 18% | 0.177 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 154.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | P1800 V1802 V1876 | P1800-A1883 VanDerWaalsContact O-CB 3.27Å; P1800-A1883 WeakPolarHBondContact O-CB 3.37Å; V1802-A1883 HydrophobicContact CG2-CB 4.12Å; V1876-A1883 PolarHBondContact N-O 3.04Å; V1876-A1883 PolarHBondContact O-N 2.95Å; V1876-A1883 VanDerWaalsContact O-O 3.09Å |
| 1884 | S | 91.1 | Very high | 87 | Confident | 80.8 Ų | 80.8 | 53.7 Ų | 53.7 | 57% | 0.565 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 154.3 | 176.2 | 58.4 | 0 | 0 | 0 | 0 | 111.1 | C1874 | C1874-S1884 CarbonylContact O-C 3.57Å; C1874-S1884 VanDerWaalsContact O-CA 3.24Å; C1874-S1884 WeakPolarHBondContact O-CA 3.43Å; C1874-S1884 WeakPolarHBondContact O-CB 3.36Å |
| 1885 | T | 92.2 | Very high | 85.1 | Confident | 7.6 Ų | 7.6 | 58 Ų | 58 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 153.4 | 174.9 | -178.8 | 0 | 0 | 0 | 0 | 109 | V1802 H1805 L1806 C1821 S1873 C1874 | V1802-T1885 HydrophobicContact CG1-CG2 3.97Å; V1802-T1885 HydrophobicContact CG2-CG2 4.07Å; H1805-T1885 VanDerWaalsContact CA-OG1 3.3Å; H1805-T1885 WeakPolarHBondContact CA-OG1 3.33Å; H1805-T1885 WeakPolarHBondContact CB-OG1 3.25Å; H1805-T1885 PolarHBondContact ND1-OG1 2.94Å; H1805-T1885 VanDerWaalsContact ND1-OG1 3.13Å; L1806-T1885 HydrophobicContact CD1-CG2 3.88Å; L1806-T1885 WeakPolarHBondContact CD1-O 3.45Å; L1806-T1885 HydrophobicContact CG-CG2 3.77Å; L1806-T1885 PolarHBondContact N-OG1 2.93Å; L1806-T1885 VanDerWaalsContact N-OG1 3.08Å; C1821-T1885 HydrophobicContact CB-CG2 4.01Å; S1873-T1885 CarbonylContact C-O 3.52Å; S1873-T1885 WeakPolarHBondContact CA-O 3.35Å; S1873-T1885 VanDerWaalsContact CB-O 3.27Å; S1873-T1885 WeakPolarHBondContact CB-O 3.33Å; C1874-T1885 HydrophobicContact CB-CG2 3.98Å; C1874-T1885 PolarHBondContact N-O 3.14Å; C1874-T1885 PolarHBondContact O-N 3.04Å |
| 1886 | S | 92 | Very high | 82.7 | Confident | 71.2 Ų | 71.2 | 60.4 Ų | 60.4 | 50% | 0.498 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 137.4 | -176.7 | 57.5 | 0 | 0 | 0 | 0 | 112 | Y1872 | Y1872-S1886 CarbonylContact O-C 3.56Å; Y1872-S1886 WeakPolarHBondContact O-CA 3.33Å |
| 1887 | G | 90.6 | Very high | 80.3 | Confident | 0.6 Ų | 0.6 | 66.8 Ų | 66.8 | 1% | 0.006 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 155.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | N1807 Y1872 | N1807-G1887 WeakPolarHBondContact O-CA 3.32Å; Y1872-G1887 PolarHBondContact N-O 3.08Å; Y1872-G1887 PolarHBondContact O-N 2.96Å; Y1872-G1887 VanDerWaalsContact O-O 3.09Å |
| 1888 | T | 92.3 | Very high | 78.2 | Confident | 58.4 Ų | 58.4 | 72.7 Ų | 72.7 | 36% | 0.358 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130.1 | -175.3 | -4.2 | 0 | 0 | 0 | 0 | 111.2 | D1808 V1809 G1870 V1871 | D1808-T1888 CarbonylContact C-O 3.54Å; D1808-T1888 WeakPolarHBondContact CA-O 3.42Å; D1808-T1888 VanDerWaalsContact CG-OG1 3.26Å; D1808-T1888 WeakPolarHBondContact OD1-CA 3.28Å; D1808-T1888 WeakPolarHBondContact OD1-CB 3.3Å; D1808-T1888 PolarHBondContact OD1-N 2.86Å; D1808-T1888 PolarHBondContact OD1-OG1 2.9Å; V1809-T1888 PolarHBondContact N-O 2.97Å; V1809-T1888 VanDerWaalsContact O-O 3.13Å; G1870-T1888 CarbonylContact O-C 3.53Å; G1870-T1888 WeakPolarHBondContact O-CA 3.38Å; V1871-T1888 HydrophobicContact CB-CG2 4.48Å; V1871-T1888 HydrophobicContact CG2-CG2 4.23Å |
| 1889 | L | 92.2 | Very high | 76.4 | Confident | 3.4 Ų | 3.4 | 77.7 Ų | 77.7 | 2% | 0.018 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 127.7 | 167.3 | -173.1 | 62.6 | 0 | 0 | 0 | 109.5 | V1809 V1811 A1817 F1819 I1861 A1864 D1868 S1869 G1870 Y1872 | V1809-L1889 HydrophobicContact CB-CD1 4.01Å; V1809-L1889 HydrophobicContact CG1-CD1 3.89Å; V1809-L1889 CarbonylContact O-C 3.53Å; V1809-L1889 WeakPolarHBondContact O-CA 3.38Å; V1811-L1889 HydrophobicContact CG2-CD1 3.93Å; A1817-L1889 HydrophobicContact CB-CD1 3.63Å; A1817-L1889 HydrophobicContact CB-CD2 4.43Å; F1819-L1889 HydrophobicContact CE2-CB 4.12Å; F1819-L1889 HydrophobicContact CE2-CD1 4.29Å; F1819-L1889 HydrophobicContact CE2-CG 4.48Å; F1819-L1889 HydrophobicContact CZ-CB 3.88Å; F1819-L1889 HydrophobicContact CZ-CD1 4.29Å; I1861-L1889 HydrophobicContact CD1-CD2 3.75Å; A1864-L1889 HydrophobicContact CB-CD2 4.37Å; D1868-L1889 HydrophobicContact CB-CD2 4.09Å; S1869-L1889 CarbonylContact C-O 3.57Å; S1869-L1889 VanDerWaalsContact CA-O 3.26Å; S1869-L1889 WeakPolarHBondContact CA-O 3.32Å; S1869-L1889 WeakPolarHBondContact CB-O 3.29Å; G1870-L1889 PolarHBondContact N-O 3.04Å; G1870-L1889 PolarHBondContact O-N 3.16Å; Y1872-L1889 HydrophobicContact CD2-CB 3.8Å; Y1872-L1889 HydrophobicContact CE2-CB 3.57Å; Y1872-L1889 VanDerWaalsContact CE2-CB 3.48Å; Y1872-L1889 HydrophobicContact CE2-CD2 3.82Å; Y1872-L1889 HydrophobicContact CE2-CG 4.36Å |
| 1890 | K | 90.3 | Very high | 74.6 | Confident | 104.8 Ų | 104.8 | 76.4 Ų | 76.4 | 46% | 0.456 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 103.6 | 170.3 | -175.9 | -173.4 | 171.3 | -129.3 | 0 | 109.1 | E1184 V1809 S1810 V1811 E1892 | E1184-K1890 IonicContact OE2-NZ 3.57Å; E1184-K1890 PolarHBondContact OE2-NZ 2.83Å; V1809-K1890 PolarHBondContact O-N 2.99Å; S1810-K1890 VanDerWaalsContact CA-O 3.3Å; S1810-K1890 WeakPolarHBondContact CA-O 3.31Å; S1810-K1890 PolarHBondContact OG-O 3.25Å; V1811-K1890 PolarHBondContact N-O 3.02Å; V1811-K1890 VanDerWaalsContact N-O 3.08Å; K1890-E1892 HydrophobicContact CD-CG 4.45Å; K1890-E1892 VanDerWaalsContact CE-OE1 3.25Å; K1890-E1892 WeakPolarHBondContact CE-OE1 3.35Å; K1890-E1892 HydrophobicContact CG-CG 4.48Å; K1890-E1892 IonicContact NZ-OE1 3.23Å; K1890-E1892 PolarHBondContact NZ-OE1 2.78Å; K1890-E1892 PolarHBondContact O-N 3.08Å |
| 1891 | C | 87.9 | Confident | 73 | Confident | 7 Ų | 7 | 77.7 Ų | 77.7 | 5% | 0.047 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 119 | 173 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | V1811 E1813 A1864 Y1865 S1869 | V1811-C1891 HydrophobicContact CG2-CB 4.25Å; V1811-C1891 CarbonylContact O-C 3.51Å; V1811-C1891 VanDerWaalsContact O-CA 3.28Å; V1811-C1891 WeakPolarHBondContact O-CA 3.28Å; E1813-C1891 VanDerWaalsContact CA-SG 3.54Å; A1864-C1891 HydrophobicContact CB-CB 4.41Å; A1864-C1891 PolarHBondContact O-SG 3.1Å; A1864-C1891 VanDerWaalsContact O-SG 3.39Å; Y1865-C1891 VanDerWaalsContact O-CB 3.3Å; Y1865-C1891 WeakPolarHBondContact O-CB 3.33Å; S1869-C1891 WeakPolarHBondContact OG-CB 3.38Å; S1869-C1891 PolarHBondContact OG-N 2.8Å; S1869-C1891 PolarHBondContact OG-O 3.27Å |
| 1892 | E | 82 | Confident | 71.4 | Confident | 89.6 Ų | 89.6 | 87.9 Ų | 87.9 | 42% | 0.419 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 123.5 | 176.5 | -60 | -155.1 | 156.2 | 0 | 0 | 110.7 | V1811 E1813 K1890 K1894 | V1811-E1892 PolarHBondContact O-N 2.98Å; E1813-E1892 PolarHBondContact N-O 3.15Å; K1890-E1892 HydrophobicContact CD-CG 4.45Å; K1890-E1892 VanDerWaalsContact CE-OE1 3.25Å; K1890-E1892 WeakPolarHBondContact CE-OE1 3.35Å; K1890-E1892 HydrophobicContact CG-CG 4.48Å; K1890-E1892 IonicContact NZ-OE1 3.23Å; K1890-E1892 PolarHBondContact NZ-OE1 2.78Å; K1890-E1892 PolarHBondContact O-N 3.08Å; E1892-K1894 PolarHBondContact O-N 3.01Å |
| 1893 | P | 74 | Confident | 69.4 | Low | 88.2 Ų | 88.2 | 88.6 Ų | 88.6 | 57% | 0.573 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 138.4 | -177.8 | 26.1 | -33.4 | 0 | 0 | 0 | 111.9 | E1813 P1866 A1895 | E1813-P1893 WeakPolarHBondContact OE2-CA 3.32Å; P1866-P1893 HydrophobicContact CB-CB 4.43Å; P1866-P1893 HydrophobicContact CG-CB 3.69Å; P1866-P1893 HydrophobicContact CG-CG 4.46Å; P1893-A1895 PolarHBondContact O-N 3.17Å |
| 1894 | K | 62.2 | Low | 67.7 | Low | 127.4 Ų | 127.4 | 95.5 Ų | 95.5 | 55% | 0.554 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 118.4 | 169.3 | -79.6 | 171.5 | 178.8 | 155.5 | 0 | 108.7 | E1813 E1892 S1896 | E1813-K1894 HydrophobicContact CB-CB 4.2Å; E1813-K1894 HydrophobicContact CB-CD 4.26Å; E1813-K1894 HydrophobicContact CB-CG 4.17Å; E1813-K1894 VanDerWaalsContact O-CD 3.25Å; E1813-K1894 WeakPolarHBondContact O-CD 3.12Å; E1813-K1894 VanDerWaalsContact O-CE 3.27Å; E1813-K1894 WeakPolarHBondContact O-CE 3.35Å; E1813-K1894 PolarHBondContact O-NZ 2.93Å; E1813-K1894 PolarHBondContact OE2-N 3.14Å; E1892-K1894 PolarHBondContact O-N 3.01Å; K1894-S1896 WeakPolarHBondContact O-CB 3.5Å; K1894-S1896 PolarHBondContact O-N 3.13Å; K1894-S1896 VanDerWaalsContact O-N 3.12Å; K1894-S1896 PolarHBondContact O-OG 3.39Å |
| 1895 | A | 52.2 | Low | 66 | Low | 91 Ų | 91 | 97.7 Ų | 97.7 | 75% | 0.752 | 52% | 0.52 | S | S | * | . | trans | -59 | 106.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1893 L1897 | P1893-A1895 PolarHBondContact O-N 3.17Å; A1895-L1897 PolarHBondContact O-N 3.01Å; A1895-L1897 VanDerWaalsContact O-N 3.1Å | ||
| 1896 | S | 42.3 | Very low | 64.2 | Low | 99 Ų | 99 | 99.4 Ų | 99.4 | 69% | 0.692 | 54% | 0.535 | S | S | * | . | trans | -151.3 | 76.1 | 163.1 | -90.7 | 0 | 0 | 0 | 0 | 113.5 | K1894 I1898 T1899 | K1894-S1896 WeakPolarHBondContact O-CB 3.5Å; K1894-S1896 PolarHBondContact O-N 3.13Å; K1894-S1896 VanDerWaalsContact O-N 3.12Å; K1894-S1896 PolarHBondContact O-OG 3.39Å; S1896-I1898 PolarHBondContact O-N 3.04Å; S1896-T1899 PolarHBondContact O-OG1 2.76Å | ||
| 1897 | L | 40.7 | Very low | 62.4 | Low | 135.8 Ų | 135.8 | 101 Ų | 101 | 71% | 0.711 | 54% | 0.538 | S | S | * | . | trans | -95.8 | 88.8 | 173.2 | -82.3 | 159.2 | 0 | 0 | 0 | 112.6 | A1895 T1899 | A1895-L1897 PolarHBondContact O-N 3.01Å; A1895-L1897 VanDerWaalsContact O-N 3.1Å; L1897-T1899 VanDerWaalsContact C-N 3.35Å; L1897-T1899 PolarHBondContact O-N 3.15Å | ||
| 1898 | I | 45.9 | Very low | 61 | Low | 143 Ų | 143 | 107.3 Ų | 107.3 | 73% | 0.733 | 57% | 0.567 | S | S | * | * | trans | -86.3 | 70.2 | -174 | -63.8 | 172.3 | 0 | 0 | 0 | 110.7 | S1896 D1900 T1901 | S1896-I1898 PolarHBondContact O-N 3.04Å; I1898-D1900 VanDerWaalsContact C-N 3.27Å; I1898-D1900 HydrophobicContact CG2-CB 4.2Å; I1898-D1900 PolarHBondContact O-N 2.9Å; I1898-T1901 WeakPolarHBondContact O-CG2 3.35Å; I1898-T1901 PolarHBondContact O-OG1 3.37Å; I1898-T1901 VanDerWaalsContact O-OG1 3.13Å | ||
| 1899 | T | 48 | Very low | 59.4 | Low | 128.2 Ų | 128.2 | 111.1 Ų | 111.1 | 79% | 0.787 | 58% | 0.578 | S | S | * | * | trans | -91.5 | -1.5 | -171.2 | 48.3 | 0 | 0 | 0 | 0 | 116.2 | S1896 L1897 T1901 | S1896-T1899 PolarHBondContact O-OG1 2.76Å; L1897-T1899 VanDerWaalsContact C-N 3.35Å; L1897-T1899 PolarHBondContact O-N 3.15Å; T1899-T1901 VanDerWaalsContact C-N 3.27Å; T1899-T1901 PolarHBondContact O-N 3.13Å; T1899-T1901 VanDerWaalsContact O-N 3.1Å | ||
| 1900 | D | 44.4 | Very low | 57.8 | Low | 140.8 Ų | 140.8 | 114.5 Ų | 114.5 | 75% | 0.753 | 60% | 0.596 | S | S | * | * | trans | -87.1 | 72.9 | 178 | -106.4 | -15.6 | 0 | 0 | 0 | 112.9 | I1898 R1902 | I1898-D1900 VanDerWaalsContact C-N 3.27Å; I1898-D1900 HydrophobicContact CG2-CB 4.2Å; I1898-D1900 PolarHBondContact O-N 2.9Å; D1900-R1902 VanDerWaalsContact C-N 3.33Å; D1900-R1902 PolarHBondContact O-N 3.09Å | ||
| 1901 | T | 46.6 | Very low | 56.4 | Low | 83 Ų | 83 | 112.2 Ų | 112.2 | 51% | 0.509 | 60% | 0.596 | S | S | . | * | trans | -71.1 | 104.9 | 177.6 | 87.5 | 0 | 0 | 0 | 0 | 112.2 | I1898 T1899 H1903 L1907 | I1898-T1901 WeakPolarHBondContact O-CG2 3.35Å; I1898-T1901 PolarHBondContact O-OG1 3.37Å; I1898-T1901 VanDerWaalsContact O-OG1 3.13Å; T1899-T1901 VanDerWaalsContact C-N 3.27Å; T1899-T1901 PolarHBondContact O-N 3.13Å; T1899-T1901 VanDerWaalsContact O-N 3.1Å; T1901-H1903 PolarHBondContact O-N 2.92Å; T1901-H1903 VanDerWaalsContact O-N 3.14Å; T1901-H1903 PolarHBondContact OG1-N 2.8Å; T1901-L1907 HydrophobicContact CG2-CB 4.44Å; T1901-L1907 HydrophobicContact CG2-CD1 3.76Å | ||
| 1902 | R | 52.4 | Low | 55.2 | Low | 239 Ų | 239 | 118.2 Ų | 118.2 | 90% | 0.902 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -80 | 2.8 | -174.6 | -109.4 | -179.1 | 171.6 | 154.2 | -0.2 | 116 | D1900 | D1900-R1902 VanDerWaalsContact C-N 3.33Å; D1900-R1902 PolarHBondContact O-N 3.09Å |
| 1903 | H | 47.6 | Very low | 53.9 | Low | 140 Ų | 140 | 120.7 Ų | 120.7 | 65% | 0.648 | 64% | 0.639 | S | S | * | * | trans | -125.7 | 93.2 | -178.6 | -85.1 | -81.8 | 0 | 0 | 0 | 112.6 | T1901 N1905 A1906 L1907 | T1901-H1903 PolarHBondContact O-N 2.92Å; T1901-H1903 VanDerWaalsContact O-N 3.14Å; T1901-H1903 PolarHBondContact OG1-N 2.8Å; H1903-N1905 PolarHBondContact O-N 3.07Å; H1903-N1905 VanDerWaalsContact O-N 3.12Å; H1903-A1906 HydrophobicContact CB-CB 4.14Å; H1903-A1906 VanDerWaalsContact O-CB 3.29Å; H1903-A1906 WeakPolarHBondContact O-CB 3.41Å; H1903-A1906 PolarHBondContact O-N 3.09Å; H1903-L1907 PolarHBondContact O-N 3.24Å | ||
| 1904 | Q | 54.8 | Low | 53 | Low | 166.8 Ų | 166.8 | 122.6 Ų | 122.6 | 78% | 0.779 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -55.1 | -28 | 178.9 | -165.6 | 169.5 | 11.4 | 0 | 0 | 113.9 | A1906 L1907 Q1908 | Q1904-A1906 VanDerWaalsContact C-N 3.34Å; Q1904-A1906 PolarHBondContact O-N 3.12Å; Q1904-L1907 PolarHBondContact O-N 3.23Å; Q1904-Q1908 PolarHBondContact O-N 3.28Å; Q1904-Q1908 VanDerWaalsContact O-N 3.13Å |
| 1905 | N | 56.3 | Low | 52.2 | Low | 127.2 Ų | 127.2 | 118.9 Ų | 118.9 | 68% | 0.68 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -77.5 | -23.1 | 177.2 | -65 | -1.7 | 0 | 0 | 0 | 113.5 | H1903 L1907 Q1908 K1909 | H1903-N1905 PolarHBondContact O-N 3.07Å; H1903-N1905 VanDerWaalsContact O-N 3.12Å; N1905-L1907 VanDerWaalsContact C-N 3.35Å; N1905-Q1908 PolarHBondContact O-N 3.3Å; N1905-K1909 PolarHBondContact O-N 3.02Å |
| 1906 | A | 52.6 | Low | 51.6 | Low | 44 Ų | 44 | 119.7 Ų | 119.7 | 36% | 0.364 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -72.8 | -43.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | H1903 Q1904 Q1908 K1909 I1910 | H1903-A1906 HydrophobicContact CB-CB 4.14Å; H1903-A1906 VanDerWaalsContact O-CB 3.29Å; H1903-A1906 WeakPolarHBondContact O-CB 3.41Å; H1903-A1906 PolarHBondContact O-N 3.09Å; Q1904-A1906 VanDerWaalsContact C-N 3.34Å; Q1904-A1906 PolarHBondContact O-N 3.12Å; A1906-Q1908 VanDerWaalsContact C-N 3.26Å; A1906-Q1908 PolarHBondContact O-N 3.05Å; A1906-K1909 WeakPolarHBondContact O-CB 3.45Å; A1906-K1909 PolarHBondContact O-N 2.98Å; A1906-I1910 WeakPolarHBondContact O-CB 3.2Å; A1906-I1910 VanDerWaalsContact O-CG1 3.29Å; A1906-I1910 WeakPolarHBondContact O-CG1 3.35Å; A1906-I1910 PolarHBondContact O-N 3.02Å; A1906-I1910 VanDerWaalsContact O-N 3.11Å |
| 1907 | L | 55.2 | Low | 51.3 | Low | 104.4 Ų | 104.4 | 124.3 Ų | 124.3 | 55% | 0.547 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -58.3 | -38 | 175.6 | -106.6 | 152.8 | 0 | 0 | 0 | 112.7 | T1901 H1903 Q1904 N1905 K1909 I1910 A1911 | T1901-L1907 HydrophobicContact CG2-CB 4.44Å; T1901-L1907 HydrophobicContact CG2-CD1 3.76Å; H1903-L1907 PolarHBondContact O-N 3.24Å; Q1904-L1907 PolarHBondContact O-N 3.23Å; N1905-L1907 VanDerWaalsContact C-N 3.35Å; L1907-K1909 VanDerWaalsContact C-N 3.32Å; L1907-K1909 PolarHBondContact O-N 2.84Å; L1907-I1910 PolarHBondContact O-N 2.96Å; L1907-A1911 VanDerWaalsContact O-CB 3.3Å; L1907-A1911 WeakPolarHBondContact O-CB 3.35Å; L1907-A1911 PolarHBondContact O-N 3.06Å |
| 1908 | Q | 60.9 | Low | 51 | Low | 133.2 Ų | 133.2 | 126.5 Ų | 126.5 | 62% | 0.622 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.2 | -32.1 | 177.1 | -162.2 | 168.2 | 22 | 0 | 0 | 112.4 | Q1904 N1905 A1906 A1911 E1912 | Q1904-Q1908 PolarHBondContact O-N 3.28Å; Q1904-Q1908 VanDerWaalsContact O-N 3.13Å; N1905-Q1908 PolarHBondContact O-N 3.3Å; A1906-Q1908 VanDerWaalsContact C-N 3.26Å; A1906-Q1908 PolarHBondContact O-N 3.05Å; Q1908-A1911 PolarHBondContact O-N 3.15Å; Q1908-E1912 WeakPolarHBondContact O-CG 3.32Å; Q1908-E1912 PolarHBondContact O-N 2.96Å; Q1908-E1912 VanDerWaalsContact O-N 3.16Å |
| 1909 | K | 59 | Low | 50.3 | Low | 137.2 Ų | 137.2 | 129 Ų | 129 | 60% | 0.597 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -79.3 | -33.9 | 178.3 | -150.3 | 149.4 | -169.6 | 170.7 | 0 | 112.6 | N1905 A1906 L1907 E1912 L1913 | N1905-K1909 PolarHBondContact O-N 3.02Å; A1906-K1909 WeakPolarHBondContact O-CB 3.45Å; A1906-K1909 PolarHBondContact O-N 2.98Å; L1907-K1909 VanDerWaalsContact C-N 3.32Å; L1907-K1909 PolarHBondContact O-N 2.84Å; K1909-E1912 IonicContact NZ-OE2 2.81Å; K1909-E1912 PolarHBondContact NZ-OE2 3.19Å; K1909-E1912 PolarHBondContact O-N 2.87Å; K1909-L1913 WeakPolarHBondContact O-CB 3.43Å; K1909-L1913 VanDerWaalsContact O-CG 3.27Å; K1909-L1913 WeakPolarHBondContact O-CG 3.29Å; K1909-L1913 PolarHBondContact O-N 3.09Å; K1909-L1913 VanDerWaalsContact O-N 3.13Å |
| 1910 | I | 57.7 | Low | 49.6 | Very low | 74.6 Ų | 74.6 | 131 Ų | 131 | 38% | 0.383 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -63.4 | -48.6 | 169.3 | -67.2 | 165 | 0 | 0 | 0 | 109 | A1906 L1907 E1912 L1913 E1914 | A1906-I1910 WeakPolarHBondContact O-CB 3.2Å; A1906-I1910 VanDerWaalsContact O-CG1 3.29Å; A1906-I1910 WeakPolarHBondContact O-CG1 3.35Å; A1906-I1910 PolarHBondContact O-N 3.02Å; A1906-I1910 VanDerWaalsContact O-N 3.11Å; L1907-I1910 PolarHBondContact O-N 2.96Å; I1910-E1912 VanDerWaalsContact C-N 3.3Å; I1910-E1912 PolarHBondContact O-N 2.86Å; I1910-L1913 CarbonylContact O-C 3.58Å; I1910-L1913 WeakPolarHBondContact O-CA 3.48Å; I1910-L1913 PolarHBondContact O-N 3.19Å; I1910-L1913 VanDerWaalsContact O-N 3.11Å; I1910-E1914 VanDerWaalsContact CG2-CD 3.42Å; I1910-E1914 HydrophobicContact CG2-CG 4.16Å; I1910-E1914 VanDerWaalsContact CG2-OE1 3.27Å; I1910-E1914 WeakPolarHBondContact CG2-OE1 3.31Å; I1910-E1914 WeakPolarHBondContact CG2-OE2 3.39Å; I1910-E1914 VanDerWaalsContact O-CB 3.3Å; I1910-E1914 WeakPolarHBondContact O-CB 3.42Å; I1910-E1914 VanDerWaalsContact O-CG 3.22Å; I1910-E1914 WeakPolarHBondContact O-CG 3.34Å; I1910-E1914 PolarHBondContact O-N 3Å |
| 1911 | A | 62.5 | Low | 48.9 | Very low | 56.8 Ų | 56.8 | 133.2 Ų | 133.2 | 47% | 0.469 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -63.1 | -26.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1907 Q1908 A1915 | L1907-A1911 VanDerWaalsContact O-CB 3.3Å; L1907-A1911 WeakPolarHBondContact O-CB 3.35Å; L1907-A1911 PolarHBondContact O-N 3.06Å; Q1908-A1911 PolarHBondContact O-N 3.15Å; A1911-A1915 WeakPolarHBondContact O-CB 3.35Å; A1911-A1915 PolarHBondContact O-N 3.07Å; A1911-A1915 VanDerWaalsContact O-N 3.14Å |
| 1912 | E | 62.8 | Low | 48.3 | Very low | 133.6 Ų | 133.6 | 135.9 Ų | 135.9 | 62% | 0.624 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -73.6 | -32.2 | 170.7 | -82.2 | -177.5 | 159.3 | 0 | 0 | 112.9 | Q1908 K1909 I1910 A1915 | Q1908-E1912 WeakPolarHBondContact O-CG 3.32Å; Q1908-E1912 PolarHBondContact O-N 2.96Å; Q1908-E1912 VanDerWaalsContact O-N 3.16Å; K1909-E1912 IonicContact NZ-OE2 2.81Å; K1909-E1912 PolarHBondContact NZ-OE2 3.19Å; K1909-E1912 PolarHBondContact O-N 2.87Å; I1910-E1912 VanDerWaalsContact C-N 3.3Å; I1910-E1912 PolarHBondContact O-N 2.86Å; E1912-A1915 WeakPolarHBondContact O-CB 3.35Å |
| 1913 | L | 53.2 | Low | 47.4 | Very low | 141.4 Ų | 141.4 | 132.7 Ų | 132.7 | 74% | 0.74 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -81.3 | -33.1 | 178.2 | -69.6 | 167.9 | 0 | 0 | 0 | 112 | K1909 I1910 A1915 | K1909-L1913 WeakPolarHBondContact O-CB 3.43Å; K1909-L1913 VanDerWaalsContact O-CG 3.27Å; K1909-L1913 WeakPolarHBondContact O-CG 3.29Å; K1909-L1913 PolarHBondContact O-N 3.09Å; K1909-L1913 VanDerWaalsContact O-N 3.13Å; I1910-L1913 CarbonylContact O-C 3.58Å; I1910-L1913 WeakPolarHBondContact O-CA 3.48Å; I1910-L1913 PolarHBondContact O-N 3.19Å; I1910-L1913 VanDerWaalsContact O-N 3.11Å; L1913-A1915 VanDerWaalsContact C-N 3.33Å; L1913-A1915 PolarHBondContact O-N 3.44Å |
| 1914 | E | 55.2 | Low | 46.6 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 60% | 0.598 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -82.3 | -5.3 | 175 | -64.5 | 176.7 | 166.9 | 0 | 0 | 113.3 | I1910 P1916 | I1910-E1914 VanDerWaalsContact CG2-CD 3.42Å; I1910-E1914 HydrophobicContact CG2-CG 4.16Å; I1910-E1914 VanDerWaalsContact CG2-OE1 3.27Å; I1910-E1914 WeakPolarHBondContact CG2-OE1 3.31Å; I1910-E1914 WeakPolarHBondContact CG2-OE2 3.39Å; I1910-E1914 VanDerWaalsContact O-CB 3.3Å; I1910-E1914 WeakPolarHBondContact O-CB 3.42Å; I1910-E1914 VanDerWaalsContact O-CG 3.22Å; I1910-E1914 WeakPolarHBondContact O-CG 3.34Å; I1910-E1914 PolarHBondContact O-N 3Å; E1914-P1916 WeakPolarHBondContact O-CD 3.27Å |
| 1915 | A | 45.5 | Very low | 45.7 | Very low | 50.6 Ų | 50.6 | 129 Ų | 129 | 42% | 0.418 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -66.5 | 127.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | A1911 E1912 L1913 K1917 | A1911-A1915 WeakPolarHBondContact O-CB 3.35Å; A1911-A1915 PolarHBondContact O-N 3.07Å; A1911-A1915 VanDerWaalsContact O-N 3.14Å; E1912-A1915 WeakPolarHBondContact O-CB 3.35Å; L1913-A1915 VanDerWaalsContact C-N 3.33Å; L1913-A1915 PolarHBondContact O-N 3.44Å; A1915-K1917 PolarHBondContact O-N 2.95Å; A1915-K1917 VanDerWaalsContact O-N 3.17Å |
| 1916 | P | 39.2 | Very low | 45.1 | Very low | 107.2 Ų | 107.2 | 129 Ų | 129 | 70% | 0.696 | 68% | 0.677 | S | S | * | * | trans | -64.9 | 107.7 | -176.4 | 23.2 | -31.3 | 0 | 0 | 0 | 110.9 | E1914 Q1918 | E1914-P1916 WeakPolarHBondContact O-CD 3.27Å; P1916-Q1918 PolarHBondContact O-N 3Å | ||
| 1917 | K | 37.5 | Very low | 44.8 | Very low | 196.2 Ų | 196.2 | 132 Ų | 132 | 85% | 0.853 | 69% | 0.691 | S | S | * | * | trans | -58.7 | 120.7 | 172.4 | -76.1 | -177.7 | 177.5 | 175.5 | 0 | 109 | A1915 Q1919 | A1915-K1917 PolarHBondContact O-N 2.95Å; A1915-K1917 VanDerWaalsContact O-N 3.17Å; K1917-Q1919 PolarHBondContact O-N 2.96Å | ||
| 1918 | Q | 33.4 | Very low | 44.9 | Very low | 181.6 Ų | 181.6 | 130.7 Ų | 130.7 | 85% | 0.849 | 70% | 0.695 | S | S | * | * | trans | -58.8 | 131.9 | 175.8 | -70.8 | 176.2 | -15.4 | 0 | 0 | 109.6 | P1916 E1920 | P1916-Q1918 PolarHBondContact O-N 3Å; Q1918-E1920 PolarHBondContact O-N 2.86Å; Q1918-E1920 VanDerWaalsContact O-N 3.13Å | ||
| 1919 | Q | 31 | Very low | 45.4 | Very low | 194.2 Ų | 194.2 | 130 Ų | 130 | 91% | 0.907 | 69% | 0.692 | S | S | * | * | trans | -64.9 | 101.4 | 172.5 | -78.3 | 176.1 | -37.3 | 0 | 0 | 109.5 | K1917 Q1921 | K1917-Q1919 PolarHBondContact O-N 2.96Å; Q1919-Q1921 PolarHBondContact O-N 2.86Å | ||
| 1920 | E | 33.7 | Very low | 46.5 | Very low | 170.2 Ų | 170.2 | 126.8 Ų | 126.8 | 80% | 0.795 | 68% | 0.684 | S | S | * | * | trans | -71.9 | 115.7 | 163 | -70.8 | -172 | 143.8 | 0 | 0 | 108.5 | Q1918 L1922 | Q1918-E1920 PolarHBondContact O-N 2.86Å; Q1918-E1920 VanDerWaalsContact O-N 3.13Å; E1920-L1922 VanDerWaalsContact C-N 3.3Å; E1920-L1922 PolarHBondContact O-N 2.96Å | ||
| 1921 | Q | 30.4 | Very low | 47.9 | Very low | 188 Ų | 188 | 123.4 Ų | 123.4 | 88% | 0.879 | 67% | 0.667 | S | S | * | * | trans | -66.7 | 108.9 | 169.5 | -66.8 | 179 | -65.3 | 0 | 0 | 109 | Q1919 | Q1919-Q1921 PolarHBondContact O-N 2.86Š| ||
| 1922 | L | 34.2 | Very low | 49.2 | Very low | 140 Ų | 140 | 125.4 Ų | 125.4 | 73% | 0.733 | 67% | 0.669 | S | S | * | * | trans | -131.6 | 97.6 | 165.5 | -86.4 | 154.1 | 0 | 0 | 0 | 109.4 | E1920 V1924 | E1920-L1922 VanDerWaalsContact C-N 3.3Å; E1920-L1922 PolarHBondContact O-N 2.96Å; L1922-V1924 HydrophobicContact CB-CG2 4.18Å; L1922-V1924 HydrophobicContact CD2-CG2 3.95Å; L1922-V1924 VanDerWaalsContact CD2-CG2 3.49Å; L1922-V1924 PolarHBondContact O-N 2.92Å; L1922-V1924 VanDerWaalsContact O-N 3.08Å | ||
| 1923 | D | 31.7 | Very low | 50.5 | Low | 170.6 Ų | 170.6 | 120.4 Ų | 120.4 | 91% | 0.912 | 65% | 0.645 | S | S | * | * | trans | -63.7 | 93.9 | 165.3 | -80 | -44.9 | 0 | 0 | 0 | 109.7 | ||||
| 1924 | V | 32.7 | Very low | 52.1 | Low | 109.4 Ų | 109.4 | 117.3 Ų | 117.3 | 66% | 0.663 | 63% | 0.632 | S | S | * | * | trans | -135.5 | 109.7 | 163 | -171 | 0 | 0 | 0 | 0 | 108.3 | L1922 P1926 | L1922-V1924 HydrophobicContact CB-CG2 4.18Å; L1922-V1924 HydrophobicContact CD2-CG2 3.95Å; L1922-V1924 VanDerWaalsContact CD2-CG2 3.49Å; L1922-V1924 PolarHBondContact O-N 2.92Å; L1922-V1924 VanDerWaalsContact O-N 3.08Å; V1924-P1926 WeakPolarHBondContact O-CD 3.21Å; V1924-P1926 VanDerWaalsContact O-N 3.17Å | ||
| 1925 | T | 34.7 | Very low | 53.8 | Low | 121.2 Ų | 121.2 | 116.9 Ų | 116.9 | 74% | 0.744 | 63% | 0.625 | S | S | * | * | trans | -57.4 | 128 | 170.2 | 34.4 | 0 | 0 | 0 | 0 | 109.6 | T1927 | T1925-T1927 PolarHBondContact O-N 2.88Š| ||
| 1926 | P | 43 | Very low | 55.9 | Low | 127.6 Ų | 127.6 | 118.2 Ų | 118.2 | 83% | 0.829 | 63% | 0.629 | S | S | * | * | trans | -65.4 | 112.8 | -178 | 19.2 | -21.9 | 0 | 0 | 0 | 109.3 | V1924 A1928 | V1924-P1926 WeakPolarHBondContact O-CD 3.21Å; V1924-P1926 VanDerWaalsContact O-N 3.17Å; P1926-A1928 PolarHBondContact O-N 2.88Å; P1926-A1928 VanDerWaalsContact O-N 3.13Å | ||
| 1927 | T | 47.9 | Very low | 58.3 | Low | 105.2 Ų | 105.2 | 113.7 Ų | 113.7 | 65% | 0.645 | 60% | 0.599 | S | S | * | * | trans | -69.5 | 124.6 | 171.6 | 17.2 | 0 | 0 | 0 | 0 | 108 | T1925 Q1929 | T1925-T1927 PolarHBondContact O-N 2.88Å; T1927-Q1929 WeakPolarHBondContact O-CG 3.34Å; T1927-Q1929 PolarHBondContact O-N 2.89Å; T1927-Q1929 PolarHBondContact OG1-NE2 3.14Å | ||
| 1928 | A | 56.8 | Low | 60.6 | Low | 78 Ų | 78 | 110.3 Ų | 110.3 | 65% | 0.645 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 112.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | P1926 A2012 | P1926-A1928 PolarHBondContact O-N 2.88Å; P1926-A1928 VanDerWaalsContact O-N 3.13Å; A1928-A2012 HydrophobicContact CB-CB 4.17Å; A1928-A2012 WeakPolarHBondContact O-CB 3.5Å |
| 1929 | Q | 70.6 | Confident | 62.9 | Low | 118 Ų | 118 | 104.7 Ų | 104.7 | 55% | 0.551 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 139.3 | -179.3 | -67.9 | -176.3 | 12.1 | 0 | 0 | 109.3 | T1927 N2010 | T1927-Q1929 WeakPolarHBondContact O-CG 3.34Å; T1927-Q1929 PolarHBondContact O-N 2.89Å; T1927-Q1929 PolarHBondContact OG1-NE2 3.14Å; Q1929-N2010 PolarHBondContact O-ND2 3.13Å |
| 1930 | T | 83.2 | Confident | 65.4 | Low | 69.4 Ų | 69.4 | 101.3 Ų | 101.3 | 43% | 0.426 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -61 | 141.7 | 169.7 | 52.3 | 0 | 0 | 0 | 0 | 110 | I1932 A2012 | T1930-I1932 PolarHBondContact O-N 2.97Å; T1930-A2012 HydrophobicContact CG2-CB 4.07Å; T1930-A2012 VanDerWaalsContact CG2-O 3.29Å; T1930-A2012 WeakPolarHBondContact CG2-O 3.24Å |
| 1931 | P | 87.3 | Confident | 67.8 | Low | 3.6 Ų | 3.6 | 94.9 Ų | 94.9 | 2% | 0.023 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 141.8 | 178 | 28.9 | -34 | 0 | 0 | 0 | 109.9 | E1956 L1963 L2008 N2010 G2013 A2015 | P1931-E1956 CarbonylContact C-O 3.53Å; P1931-E1956 VanDerWaalsContact CA-O 3.3Å; P1931-E1956 WeakPolarHBondContact CA-O 3.38Å; P1931-L1963 HydrophobicContact CB-CD1 3.86Å; P1931-L1963 HydrophobicContact CG-CD1 4.28Å; P1931-L2008 HydrophobicContact CB-CB 4Å; P1931-L2008 HydrophobicContact CB-CD1 4.41Å; P1931-L2008 HydrophobicContact CG-CB 4.11Å; P1931-N2010 VanDerWaalsContact CD-OD1 3.29Å; P1931-N2010 WeakPolarHBondContact CD-OD1 3.34Å; P1931-G2013 VanDerWaalsContact CD-O 3.26Å; P1931-G2013 WeakPolarHBondContact CD-O 3.27Å; P1931-A2015 HydrophobicContact CG-CB 4.44Å; P1931-A2015 VanDerWaalsContact O-CB 3.23Å; P1931-A2015 WeakPolarHBondContact O-CB 3.27Å |
| 1932 | I | 89.3 | Confident | 70.5 | Confident | 99.4 Ų | 99.4 | 89.8 Ų | 89.8 | 51% | 0.51 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 132 | 180 | -63.3 | 170.3 | 0 | 0 | 0 | 107.9 | T1930 T1934 F1955 E1956 | T1930-I1932 PolarHBondContact O-N 2.97Å; I1932-T1934 PolarHBondContact O-N 2.94Å; I1932-F1955 CarbonylContact O-C 3.48Å; I1932-F1955 WeakPolarHBondContact O-CA 3.27Å; I1932-F1955 WeakPolarHBondContact O-CB 3.24Å; I1932-E1956 PolarHBondContact N-O 2.79Å; I1932-E1956 PolarHBondContact O-N 2.85Å |
| 1933 | F | 89.8 | Confident | 73 | Confident | 29.2 Ų | 29.2 | 84 Ų | 84 | 13% | 0.128 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 114.2 | 170.1 | -71.4 | -80.4 | 0 | 0 | 0 | 110.1 | P1936 A1953 N1954 F1955 V1989 C2006 L2008 A2015 E2016 C2017 | F1933-P1936 HydrophobicContact CB-CB 4.31Å; F1933-A1953 HydrophobicContact CD1-CB 4Å; F1933-A1953 HydrophobicContact CE1-CB 4.07Å; F1933-N1954 CarbonylContact C-O 3.53Å; F1933-N1954 VanDerWaalsContact CA-O 3.26Å; F1933-N1954 WeakPolarHBondContact CA-O 3.3Å; F1933-F1955 HydrophobicContact CD1-CB 4.35Å; F1933-V1989 HydrophobicContact CE1-CG1 4.41Å; F1933-C2006 HydrophobicContact CZ-CB 4.26Å; F1933-L2008 HydrophobicContact CD1-CD1 4.05Å; F1933-L2008 HydrophobicContact CD2-CD1 4.37Å; F1933-L2008 HydrophobicContact CE1-CD1 3.49Å; F1933-L2008 VanDerWaalsContact CE1-CD1 3.47Å; F1933-L2008 HydrophobicContact CE1-CG 4.03Å; F1933-L2008 HydrophobicContact CE2-CD1 3.91Å; F1933-L2008 HydrophobicContact CE2-CG 4.15Å; F1933-L2008 HydrophobicContact CG-CD1 4.43Å; F1933-L2008 HydrophobicContact CZ-CB 4.47Å; F1933-L2008 HydrophobicContact CZ-CD1 3.42Å; F1933-L2008 VanDerWaalsContact CZ-CD1 3.47Å; F1933-L2008 HydrophobicContact CZ-CG 3.56Å; F1933-A2015 HydrophobicContact CD2-CB 3.95Å; F1933-A2015 HydrophobicContact CE2-CB 3.93Å; F1933-E2016 VanDerWaalsContact CE2-C 3.47Å; F1933-C2017 HydrophobicContact CD1-CB 4.34Å; F1933-C2017 HydrophobicContact CD2-CB 3.82Å; F1933-C2017 HydrophobicContact CE1-CB 4.29Å; F1933-C2017 WeakPolarHBondContact CE1-SG 3.44Å; F1933-C2017 HydrophobicContact CE2-CB 3.77Å; F1933-C2017 HydrophobicContact CG-CB 4.11Å; F1933-C2017 HydrophobicContact CZ-CB 4Å; F1933-C2017 WeakPolarHBondContact CZ-SG 3.46Å |
| 1934 | T | 87.9 | Confident | 75.4 | Confident | 76.2 Ų | 76.2 | 79.4 Ų | 79.4 | 47% | 0.467 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -29.4 | 173.5 | 50.7 | 0 | 0 | 0 | 0 | 111.6 | I1932 N1954 F1955 E1956 | I1932-T1934 PolarHBondContact O-N 2.94Å; T1934-N1954 PolarHBondContact N-O 3.03Å; T1934-N1954 VanDerWaalsContact OG1-C 3.29Å; T1934-N1954 VanDerWaalsContact OG1-CB 3.31Å; T1934-N1954 WeakPolarHBondContact OG1-CB 3.3Å; T1934-N1954 PolarHBondContact OG1-O 2.81Å; T1934-F1955 PolarHBondContact OG1-N 2.86Å; T1934-E1956 HydrophobicContact CG2-CB 4.1Å; T1934-E1956 HydrophobicContact CG2-CG 3.69Å |
| 1935 | R | 90.1 | Very high | 77.7 | Confident | 119.4 Ų | 119.4 | 76.8 Ų | 76.8 | 45% | 0.451 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 102.1 | 167.8 | -171.6 | 179.4 | 174.5 | -151.7 | -9.9 | 108.5 | E1952 A1953 N1954 | R1935-E1952 IonicContact CZ-OE1 3.14Å; R1935-E1952 IonicContact CZ-OE2 2.92Å; R1935-E1952 IonicContact NH1-OE1 3.15Å; R1935-E1952 PolarHBondContact NH1-OE1 3.07Å; R1935-E1952 IonicContact NH1-OE2 3.05Å; R1935-E1952 PolarHBondContact NH1-OE2 2.94Å; R1935-E1952 IonicContact NH2-OE1 2.75Å; R1935-E1952 PolarHBondContact NH2-OE1 3.13Å; R1935-E1952 IonicContact NH2-OE2 2.8Å; R1935-E1952 PolarHBondContact NH2-OE2 3.08Å; R1935-A1953 CarbonylContact O-C 3.56Å; R1935-A1953 VanDerWaalsContact O-CA 3.24Å; R1935-A1953 WeakPolarHBondContact O-CA 3.29Å; R1935-A1953 VanDerWaalsContact O-CB 3.3Å; R1935-A1953 WeakPolarHBondContact O-CB 3.31Å; R1935-N1954 HydrophobicContact CB-CB 3.8Å; R1935-N1954 WeakPolarHBondContact CB-OD1 3.3Å; R1935-N1954 VanDerWaalsContact CD-OD1 3.22Å; R1935-N1954 WeakPolarHBondContact CD-OD1 3.4Å; R1935-N1954 PolarHBondContact N-O 3.13Å; R1935-N1954 VanDerWaalsContact N-O 3.11Å; R1935-N1954 PolarHBondContact O-N 3.05Å |
| 1936 | P | 89.6 | Confident | 79.8 | Confident | 78.6 Ų | 78.6 | 73.2 Ų | 73.2 | 51% | 0.51 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 162.8 | 178 | 30.7 | -35 | 0 | 0 | 0 | 111.4 | F1933 C2017 | F1933-P1936 HydrophobicContact CB-CB 4.31Å; P1936-C2017 VanDerWaalsContact CA-SG 3.56Å; P1936-C2017 HydrophobicContact CB-CB 4.12Å; P1936-C2017 WeakPolarHBondContact CB-SG 3.36Å |
| 1937 | L | 89.1 | Confident | 81.7 | Confident | 12.4 Ų | 12.4 | 71.3 Ų | 71.3 | 7% | 0.065 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 148.1 | 172.8 | -67 | 169.6 | 0 | 0 | 0 | 112.6 | F1951 E1952 A1953 W1967 C2006 C2017 A2019 | L1937-F1951 HydrophobicContact CD2-CB 3.89Å; L1937-F1951 HydrophobicContact CD2-CD1 4.33Å; L1937-E1952 WeakPolarHBondContact CD2-O 3.35Å; L1937-A1953 HydrophobicContact CD2-CB 3.94Å; L1937-A1953 HydrophobicContact CG-CB 4.03Å; L1937-W1967 HydrophobicContact CD1-CH2 3.99Å; L1937-W1967 HydrophobicContact CD1-CZ3 3.85Å; L1937-W1967 HydrophobicContact CD2-CH2 3.88Å; L1937-W1967 HydrophobicContact CD2-CZ3 4.4Å; L1937-W1967 HydrophobicContact CG-CH2 4.42Å; L1937-C2006 HydrophobicContact CD1-CB 4.25Å; L1937-C2017 HydrophobicContact CD1-CB 4.28Å; L1937-C2017 WeakPolarHBondContact CD1-SG 3.41Å; L1937-C2017 HydrophobicContact CG-CB 4.3Å; L1937-C2017 VanDerWaalsContact CG-SG 3.58Å; L1937-C2017 WeakPolarHBondContact CG-SG 3.02Å; L1937-C2017 PolarHBondContact N-SG 2.8Å; L1937-A2019 HydrophobicContact CB-CB 4.21Å; L1937-A2019 HydrophobicContact CD1-CB 4.35Å |
| 1938 | E | 86.3 | Confident | 83.6 | Confident | 123.2 Ų | 123.2 | 69.3 Ų | 69.3 | 58% | 0.576 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 136.9 | 169.2 | -61 | -161.5 | 162.7 | 0 | 0 | 110.7 | N1940 F1941 A2019 | E1938-N1940 VanDerWaalsContact C-N 3.33Å; E1938-N1940 PolarHBondContact O-N 3.02Å; E1938-F1941 HydrophobicContact CB-CE2 3.93Å; E1938-F1941 HydrophobicContact CB-CZ 3.92Å; E1938-F1941 HydrophobicContact CG-CZ 4.47Å; E1938-F1941 VanDerWaalsContact O-CE2 3.26Å; E1938-F1941 WeakPolarHBondContact O-CE2 3.36Å; E1938-A2019 WeakPolarHBondContact O-CB 3.43Å |
| 1939 | A | 82 | Confident | 85.2 | Confident | 64.4 Ų | 64.4 | 65.9 Ų | 65.9 | 53% | 0.532 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -71.7 | -28.3 | -163.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | M2020 | A1939-M2020 PolarHBondContact O-N 2.98Š|
| 1940 | N | 82.9 | Confident | 86.2 | Confident | 124 Ų | 124 | 64.5 Ų | 64.5 | 66% | 0.663 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 131.6 | -175.2 | -55.2 | -72.4 | 0 | 0 | 0 | 111.1 | E1938 M2020 | E1938-N1940 VanDerWaalsContact C-N 3.33Å; E1938-N1940 PolarHBondContact O-N 3.02Å; N1940-M2020 CarbonylContact C-O 3.53Å; N1940-M2020 VanDerWaalsContact CA-O 3.31Å; N1940-M2020 WeakPolarHBondContact CA-O 3.36Å |
| 1941 | F | 84.1 | Confident | 86.7 | Confident | 35.6 Ų | 35.6 | 61.2 Ų | 61.2 | 16% | 0.156 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 129.4 | 172.9 | -69.2 | -100.4 | 0 | 0 | 0 | 108.7 | E1938 V1949 H1950 F1951 A2019 M2020 L2021 S2022 | E1938-F1941 HydrophobicContact CB-CE2 3.93Å; E1938-F1941 HydrophobicContact CB-CZ 3.92Å; E1938-F1941 HydrophobicContact CG-CZ 4.47Å; E1938-F1941 VanDerWaalsContact O-CE2 3.26Å; E1938-F1941 WeakPolarHBondContact O-CE2 3.36Å; F1941-V1949 HydrophobicContact CD1-CG1 4.22Å; F1941-V1949 HydrophobicContact CE1-CG1 4.46Å; F1941-V1949 HydrophobicContact CG-CG1 4.44Å; F1941-H1950 VanDerWaalsContact CE1-O 3.27Å; F1941-H1950 WeakPolarHBondContact CE1-O 3.28Å; F1941-F1951 AromaticContact CD2-CD1 3.93Å; F1941-F1951 HydrophobicContact CD2-CD1 3.96Å; F1941-F1951 AromaticContact CD2-CE1 3.49Å; F1941-F1951 HydrophobicContact CD2-CE1 3.49Å; F1941-F1951 VanDerWaalsContact CD2-CE1 3.46Å; F1941-F1951 HydrophobicContact CD2-CZ 4.46Å; F1941-F1951 HydrophobicContact CE1-CD1 4.44Å; F1941-F1951 AromaticContact CE2-CD1 3.46Å; F1941-F1951 HydrophobicContact CE2-CD1 3.46Å; F1941-F1951 VanDerWaalsContact CE2-CD1 3.45Å; F1941-F1951 AromaticContact CE2-CE1 3.51Å; F1941-F1951 HydrophobicContact CE2-CE1 3.51Å; F1941-F1951 VanDerWaalsContact CE2-CE1 3.47Å; F1941-F1951 HydrophobicContact CG-CE1 4.1Å; F1941-F1951 AromaticContact CZ-CD1 3.76Å; F1941-F1951 HydrophobicContact CZ-CD1 3.76Å; F1941-F1951 HydrophobicContact CZ-CE1 4.13Å; F1941-A2019 HydrophobicContact CD2-CB 4.1Å; F1941-A2019 HydrophobicContact CE2-CB 3.9Å; F1941-M2020 PolarHBondContact N-O 3.16Å; F1941-L2021 HydrophobicContact CB-CD1 3.59Å; F1941-S2022 PolarHBondContact O-N 2.98Å; F1941-S2022 PolarHBondContact O-OG 3.06Å; F1941-S2022 VanDerWaalsContact O-OG 3.07Å |
| 1942 | A | 86.6 | Confident | 86.9 | Confident | 81.4 Ų | 81.4 | 64.1 Ų | 64.1 | 67% | 0.673 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109 | S2022 | A1942-S2022 WeakPolarHBondContact CA-O 3.36Å; A1942-S2022 WeakPolarHBondContact CA-OG 3.39Å; A1942-S2022 WeakPolarHBondContact CB-OG 3.41Å |
| 1943 | V | 87.2 | Confident | 87 | Confident | 16.6 Ų | 16.6 | 59.4 Ų | 59.4 | 10% | 0.101 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 155 | -177.1 | -66.8 | 0 | 0 | 0 | 0 | 111.3 | Q1947 V1949 T1996 L2021 S2022 C2023 E2024 | V1943-Q1947 HydrophobicContact CB-CB 4.29Å; V1943-Q1947 HydrophobicContact CG1-CB 4.41Å; V1943-V1949 HydrophobicContact CB-CG2 4.31Å; V1943-V1949 HydrophobicContact CG1-CG2 3.58Å; V1943-V1949 HydrophobicContact CG2-CG2 3.93Å; V1943-T1996 HydrophobicContact CG2-CG2 4.07Å; V1943-T1996 WeakPolarHBondContact CG2-OG1 3.4Å; V1943-L2021 HydrophobicContact CG2-CD1 3.81Å; V1943-S2022 PolarHBondContact N-O 3.08Å; V1943-C2023 CarbonylContact O-C 3.54Å; V1943-C2023 VanDerWaalsContact O-CA 3.31Å; V1943-C2023 WeakPolarHBondContact O-CA 3.3Å; V1943-E2024 PolarHBondContact O-N 3Å |
| 1944 | I | 81.9 | Confident | 87 | Confident | 74.2 Ų | 74.2 | 60.1 Ų | 60.1 | 38% | 0.381 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 141.7 | 171.8 | -56.6 | 169.6 | 0 | 0 | 0 | 108.5 | G1946 Q1947 E2024 K2026 | I1944-G1946 PolarHBondContact O-N 2.95Å; I1944-G1946 VanDerWaalsContact O-N 3.15Å; I1944-Q1947 HydrophobicContact CB-CG 4.42Å; I1944-Q1947 VanDerWaalsContact N-OE1 3.07Å; I1944-Q1947 WeakPolarHBondContact O-CB 3.38Å; I1944-Q1947 WeakPolarHBondContact O-CG 3.39Å; I1944-Q1947 PolarHBondContact O-N 2.81Å; I1944-Q1947 VanDerWaalsContact O-N 3.14Å; I1944-E2024 WeakPolarHBondContact CA-O 3.22Å; I1944-K2026 HydrophobicContact CG2-CB 4.24Å; I1944-K2026 HydrophobicContact CG2-CD 4.39Å; I1944-K2026 HydrophobicContact CG2-CG 4.27Å |
| 1945 | E | 81.1 | Confident | 87.2 | Confident | 55.8 Ų | 55.8 | 56.8 Ų | 56.8 | 26% | 0.261 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | 123.2 | 175.5 | -178 | 155.2 | -129.9 | 0 | 0 | 112.1 | S1997 K1998 E2024 K2026 | E1945-S1997 VanDerWaalsContact OE1-CA 3.23Å; E1945-S1997 WeakPolarHBondContact OE1-CA 3.35Å; E1945-S1997 VanDerWaalsContact OE1-CB 3.27Å; E1945-S1997 WeakPolarHBondContact OE1-CB 3.39Å; E1945-K1998 PolarHBondContact OE1-N 2.97Å; E1945-K1998 VanDerWaalsContact OE1-N 3.14Å; E1945-E2024 PolarHBondContact N-O 3.22Å; E1945-K2026 PolarHBondContact OE2-N 3.41Å |
| 1946 | G | 78.7 | Confident | 87 | Confident | 45.6 Ų | 45.6 | 56.3 Ų | 56.3 | 47% | 0.47 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 108.3 | -22.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | I1944 S1995 T1996 | I1944-G1946 PolarHBondContact O-N 2.95Å; I1944-G1946 VanDerWaalsContact O-N 3.15Å; G1946-S1995 WeakPolarHBondContact CA-OG 3.42Å; G1946-S1995 PolarHBondContact O-OG 2.98Å; G1946-T1996 WeakPolarHBondContact CA-O 3.5Å; G1946-T1996 PolarHBondContact N-O 2.98Å |
| 1947 | Q | 83.2 | Confident | 86.7 | Confident | 87.4 Ų | 87.4 | 54 Ų | 54 | 41% | 0.408 | 31% | 0.311 | S | S | . | . | trans | -73 | 155.5 | -177.3 | -69.6 | -171.7 | -66.3 | 0 | 0 | 113.4 | V1943 I1944 S1995 T1996 | V1943-Q1947 HydrophobicContact CB-CB 4.29Å; V1943-Q1947 HydrophobicContact CG1-CB 4.41Å; I1944-Q1947 HydrophobicContact CB-CG 4.42Å; I1944-Q1947 VanDerWaalsContact N-OE1 3.07Å; I1944-Q1947 WeakPolarHBondContact O-CB 3.38Å; I1944-Q1947 WeakPolarHBondContact O-CG 3.39Å; I1944-Q1947 PolarHBondContact O-N 2.81Å; I1944-Q1947 VanDerWaalsContact O-N 3.14Å; Q1947-S1995 CarbonylContact O-C 3.59Å; Q1947-S1995 VanDerWaalsContact O-CA 3.23Å; Q1947-S1995 WeakPolarHBondContact O-CA 3.27Å; Q1947-T1996 VanDerWaalsContact O-CB 3.29Å; Q1947-T1996 WeakPolarHBondContact O-CB 3.33Å; Q1947-T1996 WeakPolarHBondContact O-CG2 3.22Å; Q1947-T1996 PolarHBondContact O-N 2.93Å; Q1947-T1996 PolarHBondContact O-OG1 2.91Å | ||
| 1948 | A | 88.5 | Confident | 86.1 | Confident | 62.8 Ų | 62.8 | 57.2 Ų | 57.2 | 52% | 0.519 | 33% | 0.327 | S | S | . | . | trans | -79.1 | 153.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1993 | A1948-L1993 CarbonylContact C-O 3.54Å; A1948-L1993 WeakPolarHBondContact CA-O 3.36Å; A1948-L1993 WeakPolarHBondContact CB-O 3.25Å | ||
| 1949 | V | 90.5 | Very high | 85.3 | Confident | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 136 | 175.6 | 170.1 | 0 | 0 | 0 | 0 | 109.7 | F1941 V1943 F1951 D1992 L1993 T1996 L2021 | F1941-V1949 HydrophobicContact CD1-CG1 4.22Å; F1941-V1949 HydrophobicContact CE1-CG1 4.46Å; F1941-V1949 HydrophobicContact CG-CG1 4.44Å; V1943-V1949 HydrophobicContact CB-CG2 4.31Å; V1943-V1949 HydrophobicContact CG1-CG2 3.58Å; V1943-V1949 HydrophobicContact CG2-CG2 3.93Å; V1949-F1951 HydrophobicContact CG1-CD2 3.95Å; V1949-F1951 HydrophobicContact CG1-CE1 4.2Å; V1949-F1951 HydrophobicContact CG1-CE2 3.52Å; V1949-F1951 VanDerWaalsContact CG1-CE2 3.47Å; V1949-F1951 HydrophobicContact CG1-CG 4.43Å; V1949-F1951 HydrophobicContact CG1-CZ 3.67Å; V1949-D1992 CarbonylContact O-C 3.53Å; V1949-D1992 WeakPolarHBondContact O-CA 3.44Å; V1949-L1993 HydrophobicContact CB-CB 4.43Å; V1949-L1993 HydrophobicContact CB-CD1 4.36Å; V1949-L1993 HydrophobicContact CG1-CD1 4.44Å; V1949-L1993 PolarHBondContact N-O 3.21Å; V1949-L1993 PolarHBondContact O-N 3.06Å; V1949-T1996 HydrophobicContact CB-CG2 4.07Å; V1949-T1996 HydrophobicContact CG2-CG2 3.82Å; V1949-T1996 VanDerWaalsContact CG2-CG2 3.49Å; V1949-T1996 VanDerWaalsContact CG2-OG1 3.24Å; V1949-T1996 WeakPolarHBondContact CG2-OG1 3.32Å; V1949-L2021 HydrophobicContact CG1-CD1 4.15Å; V1949-L2021 HydrophobicContact CG2-CD1 3.85Å; V1949-L2021 HydrophobicContact CG2-CD2 4.38Å |
| 1950 | H | 91.6 | Very high | 85.1 | Confident | 87.4 Ų | 87.4 | 56.6 Ų | 56.6 | 41% | 0.405 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 122.3 | 178.4 | 179.8 | 81.2 | 0 | 0 | 0 | 110.1 | F1941 E1952 V1990 D1992 | F1941-H1950 VanDerWaalsContact CE1-O 3.27Å; F1941-H1950 WeakPolarHBondContact CE1-O 3.28Å; H1950-E1952 IonicContact NE2-OE2 3.99Å; H1950-V1990 VanDerWaalsContact CE1-CG1 3.45Å; H1950-V1990 WeakPolarHBondContact CE1-CG1 3.27Å; H1950-D1992 WeakPolarHBondContact CB-OD1 3.24Å; H1950-D1992 IonicContact CE1-OD1 3.25Å; H1950-D1992 IonicContact CG-OD1 3.09Å; H1950-D1992 IonicContact ND1-OD1 3.48Å; H1950-D1992 PolarHBondContact ND1-OD1 2.95Å; H1950-D1992 IonicContact ND1-OD2 3.75Å; H1950-D1992 PolarHBondContact ND1-OD2 3.06Å |
| 1951 | F | 92.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 121.6 | 175 | -65.7 | -75.9 | 0 | 0 | 0 | 109.8 | L1937 F1941 V1949 W1967 V1990 L1991 L1993 W2004 A2019 L2021 | L1937-F1951 HydrophobicContact CD2-CB 3.89Å; L1937-F1951 HydrophobicContact CD2-CD1 4.33Å; F1941-F1951 AromaticContact CD2-CD1 3.93Å; F1941-F1951 HydrophobicContact CD2-CD1 3.96Å; F1941-F1951 AromaticContact CD2-CE1 3.49Å; F1941-F1951 HydrophobicContact CD2-CE1 3.49Å; F1941-F1951 VanDerWaalsContact CD2-CE1 3.46Å; F1941-F1951 HydrophobicContact CD2-CZ 4.46Å; F1941-F1951 HydrophobicContact CE1-CD1 4.44Å; F1941-F1951 AromaticContact CE2-CD1 3.46Å; F1941-F1951 HydrophobicContact CE2-CD1 3.46Å; F1941-F1951 VanDerWaalsContact CE2-CD1 3.45Å; F1941-F1951 AromaticContact CE2-CE1 3.51Å; F1941-F1951 HydrophobicContact CE2-CE1 3.51Å; F1941-F1951 VanDerWaalsContact CE2-CE1 3.47Å; F1941-F1951 HydrophobicContact CG-CE1 4.1Å; F1941-F1951 AromaticContact CZ-CD1 3.76Å; F1941-F1951 HydrophobicContact CZ-CD1 3.76Å; F1941-F1951 HydrophobicContact CZ-CE1 4.13Å; V1949-F1951 HydrophobicContact CG1-CD2 3.95Å; V1949-F1951 HydrophobicContact CG1-CE1 4.2Å; V1949-F1951 HydrophobicContact CG1-CE2 3.52Å; V1949-F1951 VanDerWaalsContact CG1-CE2 3.47Å; V1949-F1951 HydrophobicContact CG1-CG 4.43Å; V1949-F1951 HydrophobicContact CG1-CZ 3.67Å; F1951-W1967 HydrophobicContact CB-CH2 3.78Å; F1951-W1967 HydrophobicContact CB-CZ3 4.28Å; F1951-W1967 HydrophobicContact CG-CH2 4.39Å; F1951-W1967 HydrophobicContact CG-CZ3 4.47Å; F1951-V1990 CarbonylContact O-C 3.5Å; F1951-V1990 VanDerWaalsContact O-CA 3.24Å; F1951-V1990 WeakPolarHBondContact O-CA 3.38Å; F1951-L1991 HydrophobicContact CB-CB 4.3Å; F1951-L1991 WeakPolarHBondContact CB-O 3.24Å; F1951-L1991 HydrophobicContact CD2-CB 4.38Å; F1951-L1991 HydrophobicContact CD2-CD2 3.81Å; F1951-L1991 HydrophobicContact CD2-CG 4.43Å; F1951-L1991 HydrophobicContact CE2-CD2 4.26Å; F1951-L1991 PolarHBondContact N-O 3.05Å; F1951-L1991 PolarHBondContact O-N 2.93Å; F1951-L1993 HydrophobicContact CD2-CD1 4.1Å; F1951-L1993 HydrophobicContact CE2-CD1 3.65Å; F1951-W2004 HydrophobicContact CE1-CB 4.21Å; F1951-W2004 HydrophobicContact CE1-CG 4.41Å; F1951-W2004 HydrophobicContact CE2-CB 4.36Å; F1951-W2004 AromaticContact CE2-CD2 3.79Å; F1951-W2004 HydrophobicContact CE2-CD2 3.95Å; F1951-W2004 HydrophobicContact CE2-CE3 4.11Å; F1951-W2004 AromaticContact CE2-CG 3.91Å; F1951-W2004 HydrophobicContact CE2-CG 3.93Å; F1951-W2004 HydrophobicContact CZ-CB 3.92Å; F1951-W2004 AromaticContact CZ-CD1 3.77Å; F1951-W2004 AromaticContact CZ-CD2 3.99Å; F1951-W2004 HydrophobicContact CZ-CD2 4.16Å; F1951-W2004 AromaticContact CZ-CG 3.65Å; F1951-W2004 HydrophobicContact CZ-CG 3.65Å; F1951-A2019 HydrophobicContact CD1-CB 3.96Å; F1951-A2019 HydrophobicContact CE1-CB 3.66Å; F1951-L2021 HydrophobicContact CZ-CB 4.37Å; F1951-L2021 HydrophobicContact CZ-CD2 4.37Å |
| 1952 | E | 92.2 | Very high | 84.3 | Confident | 66.4 Ų | 66.4 | 57.4 Ų | 57.4 | 31% | 0.31 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 134.1 | 179.5 | 177.8 | -165 | 177.6 | 0 | 0 | 111.3 | R1935 L1937 H1950 V1989 V1990 | R1935-E1952 IonicContact CZ-OE1 3.14Å; R1935-E1952 IonicContact CZ-OE2 2.92Å; R1935-E1952 IonicContact NH1-OE1 3.15Å; R1935-E1952 PolarHBondContact NH1-OE1 3.07Å; R1935-E1952 IonicContact NH1-OE2 3.05Å; R1935-E1952 PolarHBondContact NH1-OE2 2.94Å; R1935-E1952 IonicContact NH2-OE1 2.75Å; R1935-E1952 PolarHBondContact NH2-OE1 3.13Å; R1935-E1952 IonicContact NH2-OE2 2.8Å; R1935-E1952 PolarHBondContact NH2-OE2 3.08Å; L1937-E1952 WeakPolarHBondContact CD2-O 3.35Å; H1950-E1952 IonicContact NE2-OE2 3.99Å; E1952-V1989 WeakPolarHBondContact CA-O 3.46Å; E1952-V1990 HydrophobicContact CB-CG2 4.27Å; E1952-V1990 HydrophobicContact CG-CG2 4.17Å |
| 1953 | A | 90.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 150.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1933 R1935 L1937 F1988 V1989 | F1933-A1953 HydrophobicContact CD1-CB 4Å; F1933-A1953 HydrophobicContact CE1-CB 4.07Å; R1935-A1953 CarbonylContact O-C 3.56Å; R1935-A1953 VanDerWaalsContact O-CA 3.24Å; R1935-A1953 WeakPolarHBondContact O-CA 3.29Å; R1935-A1953 VanDerWaalsContact O-CB 3.3Å; R1935-A1953 WeakPolarHBondContact O-CB 3.31Å; L1937-A1953 HydrophobicContact CD2-CB 3.94Å; L1937-A1953 HydrophobicContact CG-CB 4.03Å; A1953-F1988 CarbonylContact O-C 3.53Å; A1953-F1988 VanDerWaalsContact O-CA 3.26Å; A1953-F1988 WeakPolarHBondContact O-CA 3.26Å; A1953-F1988 WeakPolarHBondContact O-CB 3.27Å; A1953-V1989 HydrophobicContact CB-CG1 3.95Å; A1953-V1989 PolarHBondContact N-O 2.93Å; A1953-V1989 PolarHBondContact O-N 2.93Å |
| 1954 | N | 91.4 | Very high | 84 | Confident | 43.2 Ų | 43.2 | 60.4 Ų | 60.4 | 23% | 0.231 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 148.2 | 176.9 | -56.4 | 66.5 | 0 | 0 | 0 | 111.2 | F1933 T1934 R1935 G1987 | F1933-N1954 CarbonylContact C-O 3.53Å; F1933-N1954 VanDerWaalsContact CA-O 3.26Å; F1933-N1954 WeakPolarHBondContact CA-O 3.3Å; T1934-N1954 PolarHBondContact N-O 3.03Å; T1934-N1954 VanDerWaalsContact OG1-C 3.29Å; T1934-N1954 VanDerWaalsContact OG1-CB 3.31Å; T1934-N1954 WeakPolarHBondContact OG1-CB 3.3Å; T1934-N1954 PolarHBondContact OG1-O 2.81Å; R1935-N1954 HydrophobicContact CB-CB 3.8Å; R1935-N1954 WeakPolarHBondContact CB-OD1 3.3Å; R1935-N1954 VanDerWaalsContact CD-OD1 3.22Å; R1935-N1954 WeakPolarHBondContact CD-OD1 3.4Å; R1935-N1954 PolarHBondContact N-O 3.13Å; R1935-N1954 VanDerWaalsContact N-O 3.11Å; R1935-N1954 PolarHBondContact O-N 3.05Å; N1954-G1987 CarbonylContact C-O 3.57Å; N1954-G1987 WeakPolarHBondContact CA-O 3.3Å; N1954-G1987 WeakPolarHBondContact CB-O 3.32Å |
| 1955 | F | 91.1 | Very high | 84.4 | Confident | 8.2 Ų | 8.2 | 58.8 Ų | 58.8 | 4% | 0.036 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 157.9 | -178 | 63.4 | -98.7 | 0 | 0 | 0 | 113.5 | I1932 F1933 T1934 L1963 G1987 F1988 V1989 L2008 | I1932-F1955 CarbonylContact O-C 3.48Å; I1932-F1955 WeakPolarHBondContact O-CA 3.27Å; I1932-F1955 WeakPolarHBondContact O-CB 3.24Å; F1933-F1955 HydrophobicContact CD1-CB 4.35Å; T1934-F1955 PolarHBondContact OG1-N 2.86Å; F1955-L1963 HydrophobicContact CD2-CD2 3.86Å; F1955-L1963 HydrophobicContact CE2-CD2 3.23Å; F1955-L1963 HydrophobicContact CZ-CD2 3.74Å; F1955-G1987 PolarHBondContact N-O 2.9Å; F1955-G1987 CarbonylContact O-C 3.53Å; F1955-G1987 VanDerWaalsContact O-CA 3.28Å; F1955-G1987 WeakPolarHBondContact O-CA 3.28Å; F1955-F1988 VanDerWaalsContact CE1-C 3.41Å; F1955-F1988 WeakPolarHBondContact CE1-O 3.35Å; F1955-V1989 HydrophobicContact CD1-CB 4.48Å; F1955-V1989 HydrophobicContact CD1-CG1 4.37Å; F1955-V1989 HydrophobicContact CE1-CB 4.16Å; F1955-V1989 HydrophobicContact CE1-CG1 4.43Å; F1955-L2008 HydrophobicContact CB-CD1 3.35Å; F1955-L2008 VanDerWaalsContact CB-CD1 3.44Å; F1955-L2008 HydrophobicContact CD1-CD1 3.74Å; F1955-L2008 HydrophobicContact CD1-CD2 4.23Å; F1955-L2008 HydrophobicContact CD2-CD1 4.24Å; F1955-L2008 HydrophobicContact CE1-CD1 4.48Å; F1955-L2008 HydrophobicContact CE1-CD2 4.31Å; F1955-L2008 HydrophobicContact CG-CD1 3.51Å; F1955-L2008 VanDerWaalsContact CG-CD1 3.44Å; F1955-L2008 HydrophobicContact CG-CD2 4.39Å |
| 1956 | E | 85.3 | Confident | 84.8 | Confident | 107.8 Ų | 107.8 | 59.3 Ų | 59.3 | 50% | 0.504 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 151 | 167.7 | -74.1 | 178.2 | -177.4 | 0 | 0 | 109.2 | P1931 I1932 T1934 I1958 | P1931-E1956 CarbonylContact C-O 3.53Å; P1931-E1956 VanDerWaalsContact CA-O 3.3Å; P1931-E1956 WeakPolarHBondContact CA-O 3.38Å; I1932-E1956 PolarHBondContact N-O 2.79Å; I1932-E1956 PolarHBondContact O-N 2.85Å; T1934-E1956 HydrophobicContact CG2-CB 4.1Å; T1934-E1956 HydrophobicContact CG2-CG 3.69Å; E1956-I1958 HydrophobicContact CG-CD1 4.37Å; E1956-I1958 HydrophobicContact CG-CG1 4.21Å |
| 1957 | P | 84.2 | Confident | 85.5 | Confident | 31.4 Ų | 31.4 | 57.8 Ų | 57.8 | 20% | 0.204 | 31% | 0.313 | C | S | . | . | cis | -76.9 | 148.2 | 1.3 | 31.6 | -35.4 | 0 | 0 | 0 | 113.7 | D1960 | P1957-D1960 HydrophobicContact CG-CB 3.97Š| ||
| 1958 | I | 76.7 | Confident | 85.9 | Confident | 77.8 Ų | 77.8 | 54.8 Ų | 54.8 | 40% | 0.399 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -22.5 | -177.6 | -56.9 | -175.8 | 0 | 0 | 0 | 111.8 | E1956 D1960 F1986 | E1956-I1958 HydrophobicContact CG-CD1 4.37Å; E1956-I1958 HydrophobicContact CG-CG1 4.21Å; I1958-D1960 PolarHBondContact O-N 2.81Å; I1958-F1986 VanDerWaalsContact CG2-C 3.46Å |
| 1959 | N | 69.9 | Low | 86 | Confident | 142 Ų | 142 | 53.2 Ų | 53.2 | 76% | 0.759 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.3 | 41.7 | -173.1 | -62 | -34.9 | 0 | 0 | 0 | 113.2 | P1961 | N1959-P1961 WeakPolarHBondContact O-CD 3.29Š|
| 1960 | D | 76 | Confident | 85.9 | Confident | 33.6 Ų | 33.6 | 57.1 Ų | 57.1 | 18% | 0.18 | 30% | 0.302 | C | S | . | . | trans | -97.1 | 108.6 | 174.7 | -173.3 | -22.4 | 0 | 0 | 0 | 111 | P1957 I1958 S1962 L1963 N2010 | P1957-D1960 HydrophobicContact CG-CB 3.97Å; I1958-D1960 PolarHBondContact O-N 2.81Å; D1960-S1962 PolarHBondContact O-N 2.8Å; D1960-S1962 VanDerWaalsContact O-N 3.12Å; D1960-S1962 WeakPolarHBondContact OD1-CA 3.35Å; D1960-S1962 WeakPolarHBondContact OD1-CB 3.4Å; D1960-S1962 PolarHBondContact OD1-N 3.04Å; D1960-S1962 PolarHBondContact OD1-OG 3.07Å; D1960-S1962 PolarHBondContact OD2-OG 3.11Å; D1960-L1963 HydrophobicContact CB-CB 4.29Å; D1960-L1963 VanDerWaalsContact O-CB 3.28Å; D1960-L1963 WeakPolarHBondContact O-CB 3.33Å; D1960-L1963 PolarHBondContact O-N 2.92Å; D1960-L1963 VanDerWaalsContact O-N 3.09Å; D1960-N2010 WeakPolarHBondContact OD2-CB 3.39Å; D1960-N2010 PolarHBondContact OD2-ND2 3.08Å | ||
| 1961 | P | 72.6 | Confident | 85.5 | Confident | 130.6 Ų | 130.6 | 55.3 Ų | 55.3 | 85% | 0.848 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -5.9 | -178.8 | 12.7 | -10.9 | 0 | 0 | 0 | 114 | N1959 | N1959-P1961 WeakPolarHBondContact O-CD 3.29Š|
| 1962 | S | 78.4 | Confident | 85.1 | Confident | 46.6 Ų | 46.6 | 60.9 Ų | 60.9 | 33% | 0.326 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -1.8 | 173.4 | 72.8 | 0 | 0 | 0 | 0 | 113.6 | D1960 Q1964 N2010 A2011 | D1960-S1962 PolarHBondContact O-N 2.8Å; D1960-S1962 VanDerWaalsContact O-N 3.12Å; D1960-S1962 WeakPolarHBondContact OD1-CA 3.35Å; D1960-S1962 WeakPolarHBondContact OD1-CB 3.4Å; D1960-S1962 PolarHBondContact OD1-N 3.04Å; D1960-S1962 PolarHBondContact OD1-OG 3.07Å; D1960-S1962 PolarHBondContact OD2-OG 3.11Å; S1962-Q1964 PolarHBondContact O-N 2.92Å; S1962-N2010 WeakPolarHBondContact O-CA 3.38Å; S1962-N2010 WeakPolarHBondContact OG-CB 3.22Å; S1962-A2011 WeakPolarHBondContact OG-CB 3.2Å; S1962-A2011 PolarHBondContact OG-N 2.92Å; S1962-A2011 VanDerWaalsContact OG-N 3.07Å |
| 1963 | L | 84.4 | Confident | 84.8 | Confident | 37.8 Ų | 37.8 | 61.6 Ų | 61.6 | 20% | 0.198 | 35% | 0.347 | C | S | . | . | trans | -70.1 | 129.2 | -179.7 | -169 | 72.8 | 0 | 0 | 0 | 111.6 | P1931 F1955 D1960 L2008 S2009 N2010 | P1931-L1963 HydrophobicContact CB-CD1 3.86Å; P1931-L1963 HydrophobicContact CG-CD1 4.28Å; F1955-L1963 HydrophobicContact CD2-CD2 3.86Å; F1955-L1963 HydrophobicContact CE2-CD2 3.23Å; F1955-L1963 HydrophobicContact CZ-CD2 3.74Å; D1960-L1963 HydrophobicContact CB-CB 4.29Å; D1960-L1963 VanDerWaalsContact O-CB 3.28Å; D1960-L1963 WeakPolarHBondContact O-CB 3.33Å; D1960-L1963 PolarHBondContact O-N 2.92Å; D1960-L1963 VanDerWaalsContact O-N 3.09Å; L1963-L2008 HydrophobicContact CD1-CB 4.3Å; L1963-S2009 CarbonylContact C-O 3.51Å; L1963-S2009 WeakPolarHBondContact CA-O 3.4Å; L1963-N2010 HydrophobicContact CB-CB 4.47Å; L1963-N2010 HydrophobicContact CD1-CB 4.08Å | ||
| 1964 | Q | 84.2 | Confident | 84.5 | Confident | 122.6 Ų | 122.6 | 63.4 Ų | 63.4 | 57% | 0.573 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 141.9 | 172.6 | -62.4 | -175.4 | -8 | 0 | 0 | 109.9 | S1962 L2008 S2009 | S1962-Q1964 PolarHBondContact O-N 2.92Å; Q1964-L2008 CarbonylContact O-C 3.5Å; Q1964-L2008 WeakPolarHBondContact O-CA 3.39Å; Q1964-S2009 PolarHBondContact N-O 3.06Å; Q1964-S2009 PolarHBondContact O-N 3.17Å |
| 1965 | V | 89.5 | Confident | 83.7 | Confident | 39.8 Ų | 39.8 | 67.7 Ų | 67.7 | 24% | 0.241 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125.9 | -179.4 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | V1989 L2007 L2008 | V1965-V1989 HydrophobicContact CG1-CB 4.42Å; V1965-V1989 HydrophobicContact CG1-CG2 3.6Å; V1965-L2007 WeakPolarHBondContact CA-O 3.28Å; V1965-L2008 HydrophobicContact CB-CD2 4.15Å; V1965-L2008 HydrophobicContact CG1-CD2 4.02Å; V1965-L2008 HydrophobicContact CG2-CD2 3.58Å; V1965-L2008 VanDerWaalsContact CG2-CD2 3.47Å |
| 1966 | I | 90.2 | Very high | 83 | Confident | 68 Ų | 68 | 70.7 Ų | 70.7 | 35% | 0.349 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 128.8 | 179.9 | -59.1 | 174 | 0 | 0 | 0 | 109.5 | L1968 L2007 | I1966-L1968 HydrophobicContact CG2-CD2 4.28Å; I1966-L1968 HydrophobicContact CG2-CG 4.38Å; I1966-L2007 HydrophobicContact CB-CB 4.3Å; I1966-L2007 HydrophobicContact CG2-CD1 4.5Å; I1966-L2007 PolarHBondContact N-O 3.11Å; I1966-L2007 PolarHBondContact O-N 2.94Å |
| 1967 | W | 92.3 | Very high | 82.7 | Confident | 13.2 Ų | 13.2 | 69 Ų | 69 | 5% | 0.05 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 134.8 | 172 | -73.8 | 97.4 | 0 | 0 | 0 | 111.3 | L1937 F1951 P1973 V1974 S1982 V1989 L1991 K2005 C2006 | L1937-W1967 HydrophobicContact CD1-CH2 3.99Å; L1937-W1967 HydrophobicContact CD1-CZ3 3.85Å; L1937-W1967 HydrophobicContact CD2-CH2 3.88Å; L1937-W1967 HydrophobicContact CD2-CZ3 4.4Å; L1937-W1967 HydrophobicContact CG-CH2 4.42Å; F1951-W1967 HydrophobicContact CB-CH2 3.78Å; F1951-W1967 HydrophobicContact CB-CZ3 4.28Å; F1951-W1967 HydrophobicContact CG-CH2 4.39Å; F1951-W1967 HydrophobicContact CG-CZ3 4.47Å; W1967-P1973 WeakPolarHBondContact O-CA 3.35Å; W1967-V1974 HydrophobicContact CB-CB 4.41Å; W1967-V1974 PolarHBondContact O-N 2.81Å; W1967-S1982 PolarHBondContact NE1-OG 3.13Å; W1967-V1989 HydrophobicContact CZ2-CG1 4.26Å; W1967-V1989 HydrophobicContact CZ2-CG2 3.78Å; W1967-L1991 HydrophobicContact CB-CD1 3.82Å; W1967-L1991 HydrophobicContact CB-CD2 4.49Å; W1967-L1991 HydrophobicContact CD2-CB 3.98Å; W1967-L1991 HydrophobicContact CD2-CD1 3.85Å; W1967-L1991 HydrophobicContact CD2-CD2 3.84Å; W1967-L1991 HydrophobicContact CD2-CG 4.34Å; W1967-L1991 HydrophobicContact CE3-CB 4.3Å; W1967-L1991 HydrophobicContact CE3-CD1 3.94Å; W1967-L1991 HydrophobicContact CE3-CD2 3.74Å; W1967-L1991 HydrophobicContact CG-CD1 3.72Å; W1967-L1991 VanDerWaalsContact CG-CD1 3.47Å; W1967-L1991 HydrophobicContact CG-CD2 4.2Å; W1967-L1991 HydrophobicContact CH2-CB 3.84Å; W1967-L1991 HydrophobicContact CZ2-CB 3.51Å; W1967-L1991 VanDerWaalsContact CZ2-CB 3.48Å; W1967-L1991 HydrophobicContact CZ3-CB 4.23Å; W1967-L1991 HydrophobicContact CZ3-CD2 4.13Å; W1967-K2005 CarbonylContact C-O 3.48Å; W1967-K2005 WeakPolarHBondContact CA-O 3.32Å; W1967-C2006 HydrophobicContact CD2-CB 4.12Å; W1967-C2006 HydrophobicContact CE3-CB 3.92Å; W1967-C2006 HydrophobicContact CH2-CB 3.92Å; W1967-C2006 HydrophobicContact CZ2-CB 4.07Å; W1967-C2006 HydrophobicContact CZ3-CB 3.83Å |
| 1968 | L | 91.4 | Very high | 82 | Confident | 24.2 Ų | 24.2 | 73 Ų | 73 | 13% | 0.127 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 135.4 | 176.1 | -60 | 172 | 0 | 0 | 0 | 109.9 | I1966 I1972 P1973 W2004 K2005 L2007 | I1966-L1968 HydrophobicContact CG2-CD2 4.28Å; I1966-L1968 HydrophobicContact CG2-CG 4.38Å; L1968-I1972 CarbonylContact C-O 3.5Å; L1968-I1972 VanDerWaalsContact CA-O 3.28Å; L1968-I1972 WeakPolarHBondContact CA-O 3.38Å; L1968-P1973 HydrophobicContact CD2-CB 4.23Å; L1968-P1973 HydrophobicContact CD2-CG 3.8Å; L1968-W2004 CarbonylContact O-C 3.5Å; L1968-W2004 WeakPolarHBondContact O-CA 3.3Å; L1968-K2005 HydrophobicContact CB-CB 4.26Å; L1968-K2005 HydrophobicContact CD1-CD 4.06Å; L1968-K2005 HydrophobicContact CD1-CG 4.48Å; L1968-K2005 PolarHBondContact N-O 2.85Å; L1968-K2005 PolarHBondContact O-N 2.86Å; L1968-L2007 HydrophobicContact CD1-CD1 3.5Å; L1968-L2007 HydrophobicContact CD1-CG 4.1Å; L1968-L2007 HydrophobicContact CD2-CD1 4.49Å; L1968-L2007 HydrophobicContact CG-CD1 4.01Å |
| 1969 | H | 91.3 | Very high | 82.5 | Confident | 30.4 Ų | 30.4 | 71.8 Ų | 71.8 | 14% | 0.141 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 120.5 | 167.2 | 176.3 | -117.3 | 0 | 0 | 0 | 109 | G1971 I1972 V1974 R1999 D2000 E2001 E2003 W2004 | H1969-G1971 PolarHBondContact O-N 3.01Å; H1969-G1971 VanDerWaalsContact O-N 3.09Å; H1969-I1972 PolarHBondContact N-O 3.06Å; H1969-I1972 WeakPolarHBondContact O-CB 3.39Å; H1969-I1972 PolarHBondContact O-N 3.06Å; H1969-V1974 HydrophobicContact CB-CG2 3.45Å; H1969-V1974 VanDerWaalsContact CB-CG2 3.47Å; H1969-R1999 PolarHBondContact CE1-O 2.85Å; H1969-R1999 VanDerWaalsContact CE1-O 3.28Å; H1969-D2000 VanDerWaalsContact NE2-C 3.33Å; H1969-D2000 PolarHBondContact NE2-O 3.3Å; H1969-D2000 VanDerWaalsContact NE2-O 3.1Å; H1969-E2001 PolarHBondContact NE2-O 2.9Å; H1969-E2001 VanDerWaalsContact NE2-O 3.12Å; H1969-E2003 CarbonylContact C-O 3.52Å; H1969-E2003 WeakPolarHBondContact CA-O 3.21Å; H1969-W2004 HydrophobicContact CB-CD2 4.31Å; H1969-W2004 HydrophobicContact CB-CE3 4.23Å; H1969-W2004 HydrophobicContact CB-CH2 4.07Å; H1969-W2004 HydrophobicContact CB-CZ2 4.14Å; H1969-W2004 HydrophobicContact CB-CZ3 4.12Å; H1969-W2004 AromaticContact CD2-CD1 3.79Å; H1969-W2004 AromaticContact CD2-CD2 3.87Å; H1969-W2004 AromaticContact CD2-CE2 3.29Å; H1969-W2004 AromaticContact CD2-CZ2 3.58Å; H1969-W2004 AromaticContact CD2-NE1 3.25Å; H1969-W2004 PolarHBondContact CD2-NE1 3.09Å; H1969-W2004 VanDerWaalsContact CD2-NE1 3.26Å; H1969-W2004 AromaticContact CG-CE2 3.9Å; H1969-W2004 AromaticContact CG-CZ2 3.84Å; H1969-W2004 AromaticContact NE2-CE2 3.95Å; H1969-W2004 AromaticContact NE2-NE1 3.68Å |
| 1970 | N | 88.5 | Confident | 83.4 | Confident | 87.6 Ų | 87.6 | 65.7 Ų | 65.7 | 47% | 0.468 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 32.3 | -174.6 | -67.6 | -45.8 | 0 | 0 | 0 | 113.8 | I1972 E2001 G2002 E2003 | N1970-I1972 VanDerWaalsContact C-N 3.34Å; N1970-E2001 PolarHBondContact ND2-O 3.15Å; N1970-E2001 VanDerWaalsContact ND2-O 3.11Å; N1970-G2002 VanDerWaalsContact OD1-CA 3.31Å; N1970-G2002 WeakPolarHBondContact OD1-CA 3.23Å; N1970-E2003 PolarHBondContact N-O 2.94Å; N1970-E2003 PolarHBondContact OD1-N 2.95Å |
| 1971 | G | 83.3 | Confident | 83.8 | Confident | 49.8 Ų | 49.8 | 69.6 Ų | 69.6 | 51% | 0.513 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 0.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | H1969 | H1969-G1971 PolarHBondContact O-N 3.01Å; H1969-G1971 VanDerWaalsContact O-N 3.09Å |
| 1972 | I | 82.6 | Confident | 84.5 | Confident | 118.2 Ų | 118.2 | 66 Ų | 66 | 61% | 0.606 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 131.2 | 179.2 | -54.8 | 176.2 | 0 | 0 | 0 | 109.4 | L1968 H1969 N1970 V1974 | L1968-I1972 CarbonylContact C-O 3.5Å; L1968-I1972 VanDerWaalsContact CA-O 3.28Å; L1968-I1972 WeakPolarHBondContact CA-O 3.38Å; H1969-I1972 PolarHBondContact N-O 3.06Å; H1969-I1972 WeakPolarHBondContact O-CB 3.39Å; H1969-I1972 PolarHBondContact O-N 3.06Å; N1970-I1972 VanDerWaalsContact C-N 3.34Å; I1972-V1974 PolarHBondContact O-N 3.06Å |
| 1973 | P | 86.1 | Confident | 84.8 | Confident | 81.8 Ų | 81.8 | 67.2 Ų | 67.2 | 53% | 0.531 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 134.4 | 174.5 | -23.8 | 33.7 | 0 | 0 | 0 | 112.7 | L1712 W1967 L1968 | L1712-P1973 HydrophobicContact CD1-CG 4.42Å; L1712-P1973 HydrophobicContact CD2-CB 3.98Å; L1712-P1973 HydrophobicContact CD2-CG 4.17Å; W1967-P1973 WeakPolarHBondContact O-CA 3.35Å; L1968-P1973 HydrophobicContact CD2-CB 4.23Å; L1968-P1973 HydrophobicContact CD2-CG 3.8Å |
| 1974 | V | 84.5 | Confident | 84.6 | Confident | 36.6 Ų | 36.6 | 68.3 Ų | 68.3 | 22% | 0.222 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -103.2 | 123.2 | -179.3 | -172.2 | 0 | 0 | 0 | 0 | 109.5 | W1967 H1969 I1972 I1980 W2004 | W1967-V1974 HydrophobicContact CB-CB 4.41Å; W1967-V1974 PolarHBondContact O-N 2.81Å; H1969-V1974 HydrophobicContact CB-CG2 3.45Å; H1969-V1974 VanDerWaalsContact CB-CG2 3.47Å; I1972-V1974 PolarHBondContact O-N 3.06Å; V1974-I1980 HydrophobicContact CG1-CD1 3.68Å; V1974-I1980 HydrophobicContact CG1-CG2 4.03Å; V1974-W2004 HydrophobicContact CB-CZ3 4.23Å; V1974-W2004 HydrophobicContact CG1-CH2 4.3Å; V1974-W2004 HydrophobicContact CG1-CZ3 4.24Å; V1974-W2004 HydrophobicContact CG2-CH2 4.25Å; V1974-W2004 HydrophobicContact CG2-CZ3 3.92Å |
| 1975 | E | 75.6 | Confident | 84.3 | Confident | 133.6 Ų | 133.6 | 66 Ų | 66 | 62% | 0.624 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -85 | 147.7 | 174.7 | -64.6 | -174.3 | 167.9 | 0 | 0 | 111.4 | A1713 T1977 | A1713-E1975 WeakPolarHBondContact CA-OE1 3.29Å; A1713-E1975 WeakPolarHBondContact CB-OE1 3.14Å; A1713-E1975 WeakPolarHBondContact CB-OE2 3.09Å; A1713-E1975 PolarHBondContact N-OE1 3.48Å; E1975-T1977 PolarHBondContact O-N 2.9Å |
| 1976 | A | 76.2 | Confident | 83.8 | Confident | 72.2 Ų | 72.2 | 70.6 Ų | 70.6 | 60% | 0.597 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 129.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | I1980 | A1976-I1980 CarbonylContact C-O 3.54Å; A1976-I1980 VanDerWaalsContact CA-O 3.31Å; A1976-I1980 WeakPolarHBondContact CA-O 3.38Å |
| 1977 | T | 79 | Confident | 83.4 | Confident | 71.4 Ų | 71.4 | 67.5 Ų | 67.5 | 44% | 0.438 | 39% | 0.389 | S | S | . | . | trans | -134.5 | 174.1 | -179 | 58.9 | 0 | 0 | 0 | 0 | 110 | E1975 R1979 I1980 | E1975-T1977 PolarHBondContact O-N 2.9Å; T1977-R1979 PolarHBondContact O-N 2.9Å; T1977-R1979 VanDerWaalsContact O-N 3.11Å; T1977-R1979 PolarHBondContact OG1-N 3Å; T1977-I1980 PolarHBondContact N-O 3.2Å; T1977-I1980 CarbonylContact O-C 3.51Å; T1977-I1980 PolarHBondContact O-N 3.19Å; T1977-I1980 VanDerWaalsContact O-N 3.07Å; T1977-I1980 PolarHBondContact OG1-N 3.03Å; T1977-I1980 VanDerWaalsContact OG1-N 3.12Å | ||
| 1978 | S | 69.7 | Low | 83.2 | Confident | 116.2 Ų | 116.2 | 70.1 Ų | 70.1 | 81% | 0.813 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -56.3 | -27.4 | 172.3 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1979 | R | 85.8 | Confident | 83.2 | Confident | 51.4 Ų | 51.4 | 69 Ų | 69 | 19% | 0.194 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -91.5 | -30.1 | 178.2 | -167.4 | -176.3 | 69.7 | 105.8 | -2.8 | 113.8 | T1977 L1993 S1994 S1995 D2000 | T1977-R1979 PolarHBondContact O-N 2.9Å; T1977-R1979 VanDerWaalsContact O-N 3.11Å; T1977-R1979 PolarHBondContact OG1-N 3Å; R1979-L1993 CarbonylContact O-C 3.46Å; R1979-L1993 WeakPolarHBondContact O-CA 3.29Å; R1979-S1994 WeakPolarHBondContact CA-OG 3.33Å; R1979-S1994 PolarHBondContact O-N 2.97Å; R1979-S1994 PolarHBondContact O-OG 2.71Å; R1979-S1995 PolarHBondContact NH1-O 3.15Å; R1979-D2000 IonicContact CZ-OD1 3.27Å; R1979-D2000 VanDerWaalsContact CZ-OD1 3.3Å; R1979-D2000 IonicContact CZ-OD2 3.17Å; R1979-D2000 VanDerWaalsContact NH1-CG 3.28Å; R1979-D2000 IonicContact NH1-OD1 3.4Å; R1979-D2000 PolarHBondContact NH1-OD1 3.07Å; R1979-D2000 VanDerWaalsContact NH1-OD1 3.14Å; R1979-D2000 IonicContact NH1-OD2 2.9Å; R1979-D2000 PolarHBondContact NH1-OD2 3.03Å; R1979-D2000 IonicContact NH2-OD1 3.13Å; R1979-D2000 PolarHBondContact NH2-OD1 2.96Å; R1979-D2000 IonicContact NH2-OD2 3.38Å |
| 1980 | I | 88.8 | Confident | 83.2 | Confident | 14 Ų | 14 | 68.3 Ų | 68.3 | 7% | 0.072 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 106.3 | -175.1 | -52.4 | 177.1 | 0 | 0 | 0 | 109 | V1974 A1976 T1977 L1991 D1992 L1993 W2004 | V1974-I1980 HydrophobicContact CG1-CD1 3.68Å; V1974-I1980 HydrophobicContact CG1-CG2 4.03Å; A1976-I1980 CarbonylContact C-O 3.54Å; A1976-I1980 VanDerWaalsContact CA-O 3.31Å; A1976-I1980 WeakPolarHBondContact CA-O 3.38Å; T1977-I1980 PolarHBondContact N-O 3.2Å; T1977-I1980 CarbonylContact O-C 3.51Å; T1977-I1980 PolarHBondContact O-N 3.19Å; T1977-I1980 VanDerWaalsContact O-N 3.07Å; T1977-I1980 PolarHBondContact OG1-N 3.03Å; T1977-I1980 VanDerWaalsContact OG1-N 3.12Å; I1980-L1991 HydrophobicContact CG2-CD1 3.87Å; I1980-L1991 HydrophobicContact CG2-CD2 3.96Å; I1980-L1991 HydrophobicContact CG2-CG 4.12Å; I1980-D1992 CarbonylContact C-O 3.57Å; I1980-D1992 VanDerWaalsContact CA-O 3.3Å; I1980-D1992 WeakPolarHBondContact CA-O 3.36Å; I1980-L1993 HydrophobicContact CD1-CD2 4.42Å; I1980-L1993 HydrophobicContact CG1-CD2 4.21Å; I1980-L1993 HydrophobicContact CG1-CG 4.32Å; I1980-W2004 HydrophobicContact CD1-CH2 4.36Å |
| 1981 | K | 84.7 | Confident | 83.4 | Confident | 115.2 Ų | 115.2 | 64.3 Ų | 64.3 | 50% | 0.501 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 139.9 | 179.4 | -61.4 | 179.8 | -177 | 178.5 | 0 | 109.8 | L1991 D1992 | K1981-L1991 CarbonylContact O-C 3.52Å; K1981-L1991 VanDerWaalsContact O-CA 3.29Å; K1981-L1991 WeakPolarHBondContact O-CA 3.3Å; K1981-D1992 HydrophobicContact CB-CB 4.42Å; K1981-D1992 PolarHBondContact N-O 3.02Å; K1981-D1992 PolarHBondContact O-N 2.87Å |
| 1982 | S | 87.5 | Confident | 83.7 | Confident | 54.8 Ų | 54.8 | 64.6 Ų | 64.6 | 38% | 0.383 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 139.4 | 173 | 141.8 | 0 | 0 | 0 | 0 | 110.7 | W1967 V1990 | W1967-S1982 PolarHBondContact NE1-OG 3.13Å; S1982-V1990 CarbonylContact C-O 3.55Å; S1982-V1990 VanDerWaalsContact CA-O 3.26Å; S1982-V1990 WeakPolarHBondContact CA-O 3.47Å; S1982-V1990 WeakPolarHBondContact CB-O 3.27Å; S1982-V1990 PolarHBondContact OG-O 3.05Å |
| 1983 | V | 84.7 | Confident | 84.2 | Confident | 72.8 Ų | 72.8 | 59.1 Ų | 59.1 | 44% | 0.441 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 138.7 | 179.2 | -178 | 0 | 0 | 0 | 0 | 108.3 | F1988 V1989 V1990 | V1983-F1988 HydrophobicContact CG1-CE2 4.44Å; V1983-V1989 CarbonylContact O-C 3.54Å; V1983-V1989 WeakPolarHBondContact O-CA 3.37Å; V1983-V1990 HydrophobicContact CB-CB 4.49Å; V1983-V1990 PolarHBondContact N-O 3.04Å; V1983-V1990 PolarHBondContact O-N 3.16Å |
| 1984 | S | 81 | Confident | 84.1 | Confident | 61.2 Ų | 61.2 | 58.8 Ų | 58.8 | 43% | 0.428 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 113.9 | 173.2 | 60.9 | 0 | 0 | 0 | 0 | 110 | F1988 | S1984-F1988 WeakPolarHBondContact CA-O 3.34Å |
| 1985 | D | 76.9 | Confident | 84.1 | Confident | 74.6 Ų | 74.6 | 59.3 Ų | 59.3 | 40% | 0.399 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 162.3 | 179.4 | -157 | -4.1 | 0 | 0 | 0 | 110.5 | S1846 K1847 G1987 F1988 | S1846-D1985 WeakPolarHBondContact CA-OD2 3.42Å; S1846-D1985 VanDerWaalsContact CB-OD2 3.23Å; S1846-D1985 WeakPolarHBondContact CB-OD2 3.32Å; S1846-D1985 PolarHBondContact N-OD2 3.48Å; S1846-D1985 PolarHBondContact OG-OD2 2.86Å; K1847-D1985 PolarHBondContact N-OD2 2.89Å; D1985-G1987 PolarHBondContact O-N 2.92Å; D1985-F1988 HydrophobicContact CB-CZ 4.34Å; D1985-F1988 PolarHBondContact N-O 3.05Å; D1985-F1988 VanDerWaalsContact N-O 3.1Å; D1985-F1988 VanDerWaalsContact O-CD1 3.27Å; D1985-F1988 WeakPolarHBondContact O-CD1 3.41Å; D1985-F1988 VanDerWaalsContact O-CE1 3.24Å; D1985-F1988 WeakPolarHBondContact O-CE1 3.4Å; D1985-F1988 WeakPolarHBondContact O-CG 3.41Å; D1985-F1988 PolarHBondContact O-N 3.01Å; D1985-F1988 VanDerWaalsContact O-O 3.1Å |
| 1986 | F | 79.2 | Confident | 84.7 | Confident | 134.4 Ų | 134.4 | 53.1 Ų | 53.1 | 59% | 0.589 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45 | 32.1 | 173.2 | -61.5 | -77 | 0 | 0 | 0 | 116.7 | K1847 I1958 F1988 | K1847-F1986 HydrophobicContact CB-CE2 4.19Å; K1847-F1986 HydrophobicContact CB-CZ 3.69Å; K1847-F1986 HydrophobicContact CD-CE1 4.3Å; K1847-F1986 HydrophobicContact CD-CZ 3.91Å; K1847-F1986 HydrophobicContact CG-CZ 4.02Å; I1958-F1986 VanDerWaalsContact CG2-C 3.46Å; F1986-F1988 HydrophobicContact CB-CD1 4.31Å; F1986-F1988 HydrophobicContact CB-CE1 4.05Å; F1986-F1988 HydrophobicContact CD2-CE1 4.49Å |
| 1987 | G | 81.9 | Confident | 85.1 | Confident | 3.8 Ų | 3.8 | 50.9 Ų | 50.9 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 19.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1954 F1955 D1985 | N1954-G1987 CarbonylContact C-O 3.57Å; N1954-G1987 WeakPolarHBondContact CA-O 3.3Å; N1954-G1987 WeakPolarHBondContact CB-O 3.32Å; F1955-G1987 PolarHBondContact N-O 2.9Å; F1955-G1987 CarbonylContact O-C 3.53Å; F1955-G1987 VanDerWaalsContact O-CA 3.28Å; F1955-G1987 WeakPolarHBondContact O-CA 3.28Å; D1985-G1987 PolarHBondContact O-N 2.92Å |
| 1988 | F | 89 | Confident | 85.2 | Confident | 68.6 Ų | 68.6 | 52.1 Ų | 52.1 | 30% | 0.301 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 156.9 | 169 | 68.4 | -93.1 | 0 | 0 | 0 | 112.2 | A1953 F1955 V1983 S1984 D1985 F1986 V1990 | A1953-F1988 CarbonylContact O-C 3.53Å; A1953-F1988 VanDerWaalsContact O-CA 3.26Å; A1953-F1988 WeakPolarHBondContact O-CA 3.26Å; A1953-F1988 WeakPolarHBondContact O-CB 3.27Å; F1955-F1988 VanDerWaalsContact CE1-C 3.41Å; F1955-F1988 WeakPolarHBondContact CE1-O 3.35Å; V1983-F1988 HydrophobicContact CG1-CE2 4.44Å; S1984-F1988 WeakPolarHBondContact CA-O 3.34Å; D1985-F1988 HydrophobicContact CB-CZ 4.34Å; D1985-F1988 PolarHBondContact N-O 3.05Å; D1985-F1988 VanDerWaalsContact N-O 3.1Å; D1985-F1988 VanDerWaalsContact O-CD1 3.27Å; D1985-F1988 WeakPolarHBondContact O-CD1 3.41Å; D1985-F1988 VanDerWaalsContact O-CE1 3.24Å; D1985-F1988 WeakPolarHBondContact O-CE1 3.4Å; D1985-F1988 WeakPolarHBondContact O-CG 3.41Å; D1985-F1988 PolarHBondContact O-N 3.01Å; D1985-F1988 VanDerWaalsContact O-O 3.1Å; F1986-F1988 HydrophobicContact CB-CD1 4.31Å; F1986-F1988 HydrophobicContact CB-CE1 4.05Å; F1986-F1988 HydrophobicContact CD2-CE1 4.49Å; F1988-V1990 HydrophobicContact CD2-CG2 4.03Å; F1988-V1990 HydrophobicContact CE2-CG2 4.23Å |
| 1989 | V | 90.2 | Very high | 85.9 | Confident | 0.4 Ų | 0.4 | 55.2 Ų | 55.2 | 0% | 0.002 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 133.7 | 175.3 | 60.6 | 0 | 0 | 0 | 0 | 109.1 | F1933 E1952 A1953 F1955 V1965 W1967 V1983 | F1933-V1989 HydrophobicContact CE1-CG1 4.41Å; E1952-V1989 WeakPolarHBondContact CA-O 3.46Å; A1953-V1989 HydrophobicContact CB-CG1 3.95Å; A1953-V1989 PolarHBondContact N-O 2.93Å; A1953-V1989 PolarHBondContact O-N 2.93Å; F1955-V1989 HydrophobicContact CD1-CB 4.48Å; F1955-V1989 HydrophobicContact CD1-CG1 4.37Å; F1955-V1989 HydrophobicContact CE1-CB 4.16Å; F1955-V1989 HydrophobicContact CE1-CG1 4.43Å; V1965-V1989 HydrophobicContact CG1-CB 4.42Å; V1965-V1989 HydrophobicContact CG1-CG2 3.6Å; W1967-V1989 HydrophobicContact CZ2-CG1 4.26Å; W1967-V1989 HydrophobicContact CZ2-CG2 3.78Å; V1983-V1989 CarbonylContact O-C 3.54Å; V1983-V1989 WeakPolarHBondContact O-CA 3.37Å |
| 1990 | V | 91.6 | Very high | 86.1 | Confident | 15.8 Ų | 15.8 | 53 Ų | 53 | 10% | 0.096 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 142.3 | 180 | 170.7 | 0 | 0 | 0 | 0 | 110 | H1950 F1951 E1952 S1982 V1983 F1988 D1992 | H1950-V1990 VanDerWaalsContact CE1-CG1 3.45Å; H1950-V1990 WeakPolarHBondContact CE1-CG1 3.27Å; F1951-V1990 CarbonylContact O-C 3.5Å; F1951-V1990 VanDerWaalsContact O-CA 3.24Å; F1951-V1990 WeakPolarHBondContact O-CA 3.38Å; E1952-V1990 HydrophobicContact CB-CG2 4.27Å; E1952-V1990 HydrophobicContact CG-CG2 4.17Å; S1982-V1990 CarbonylContact C-O 3.55Å; S1982-V1990 VanDerWaalsContact CA-O 3.26Å; S1982-V1990 WeakPolarHBondContact CA-O 3.47Å; S1982-V1990 WeakPolarHBondContact CB-O 3.27Å; S1982-V1990 PolarHBondContact OG-O 3.05Å; V1983-V1990 HydrophobicContact CB-CB 4.49Å; V1983-V1990 PolarHBondContact N-O 3.04Å; V1983-V1990 PolarHBondContact O-N 3.16Å; F1988-V1990 HydrophobicContact CD2-CG2 4.03Å; F1988-V1990 HydrophobicContact CE2-CG2 4.23Å; V1990-D1992 VanDerWaalsContact CG1-OD2 3.3Å; V1990-D1992 WeakPolarHBondContact CG1-OD2 3.38Å |
| 1991 | L | 92.1 | Very high | 86.1 | Confident | 3.2 Ų | 3.2 | 55.8 Ų | 55.8 | 2% | 0.017 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 123.1 | 163.7 | -176.7 | 123.6 | 0 | 0 | 0 | 110.4 | F1951 W1967 I1980 K1981 L1993 W2004 | F1951-L1991 HydrophobicContact CB-CB 4.3Å; F1951-L1991 WeakPolarHBondContact CB-O 3.24Å; F1951-L1991 HydrophobicContact CD2-CB 4.38Å; F1951-L1991 HydrophobicContact CD2-CD2 3.81Å; F1951-L1991 HydrophobicContact CD2-CG 4.43Å; F1951-L1991 HydrophobicContact CE2-CD2 4.26Å; F1951-L1991 PolarHBondContact N-O 3.05Å; F1951-L1991 PolarHBondContact O-N 2.93Å; W1967-L1991 HydrophobicContact CB-CD1 3.82Å; W1967-L1991 HydrophobicContact CB-CD2 4.49Å; W1967-L1991 HydrophobicContact CD2-CB 3.98Å; W1967-L1991 HydrophobicContact CD2-CD1 3.85Å; W1967-L1991 HydrophobicContact CD2-CD2 3.84Å; W1967-L1991 HydrophobicContact CD2-CG 4.34Å; W1967-L1991 HydrophobicContact CE3-CB 4.3Å; W1967-L1991 HydrophobicContact CE3-CD1 3.94Å; W1967-L1991 HydrophobicContact CE3-CD2 3.74Å; W1967-L1991 HydrophobicContact CG-CD1 3.72Å; W1967-L1991 VanDerWaalsContact CG-CD1 3.47Å; W1967-L1991 HydrophobicContact CG-CD2 4.2Å; W1967-L1991 HydrophobicContact CH2-CB 3.84Å; W1967-L1991 HydrophobicContact CZ2-CB 3.51Å; W1967-L1991 VanDerWaalsContact CZ2-CB 3.48Å; W1967-L1991 HydrophobicContact CZ3-CB 4.23Å; W1967-L1991 HydrophobicContact CZ3-CD2 4.13Å; I1980-L1991 HydrophobicContact CG2-CD1 3.87Å; I1980-L1991 HydrophobicContact CG2-CD2 3.96Å; I1980-L1991 HydrophobicContact CG2-CG 4.12Å; K1981-L1991 CarbonylContact O-C 3.52Å; K1981-L1991 VanDerWaalsContact O-CA 3.29Å; K1981-L1991 WeakPolarHBondContact O-CA 3.3Å; L1991-L1993 HydrophobicContact CD2-CD1 3.82Å; L1991-L1993 HydrophobicContact CD2-CG 4.3Å; L1991-L1993 HydrophobicContact CG-CD1 4.38Å; L1991-W2004 HydrophobicContact CD1-CE3 4.42Å; L1991-W2004 HydrophobicContact CD1-CZ3 3.98Å; L1991-W2004 HydrophobicContact CD2-CD2 4.38Å; L1991-W2004 HydrophobicContact CD2-CE3 3.73Å; L1991-W2004 VanDerWaalsContact CD2-CE3 3.41Å; L1991-W2004 HydrophobicContact CD2-CH2 4.42Å; L1991-W2004 HydrophobicContact CD2-CZ3 3.57Å; L1991-W2004 VanDerWaalsContact CD2-CZ3 3.46Å |
| 1992 | D | 91.3 | Very high | 86.4 | Confident | 57.4 Ų | 57.4 | 50.8 Ų | 50.8 | 31% | 0.307 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 129.8 | 179.1 | -73.6 | -55.1 | 0 | 0 | 0 | 111.2 | V1949 H1950 I1980 K1981 V1990 | V1949-D1992 CarbonylContact O-C 3.53Å; V1949-D1992 WeakPolarHBondContact O-CA 3.44Å; H1950-D1992 WeakPolarHBondContact CB-OD1 3.24Å; H1950-D1992 IonicContact CE1-OD1 3.25Å; H1950-D1992 IonicContact CG-OD1 3.09Å; H1950-D1992 IonicContact ND1-OD1 3.48Å; H1950-D1992 PolarHBondContact ND1-OD1 2.95Å; H1950-D1992 IonicContact ND1-OD2 3.75Å; H1950-D1992 PolarHBondContact ND1-OD2 3.06Å; I1980-D1992 CarbonylContact C-O 3.57Å; I1980-D1992 VanDerWaalsContact CA-O 3.3Å; I1980-D1992 WeakPolarHBondContact CA-O 3.36Å; K1981-D1992 HydrophobicContact CB-CB 4.42Å; K1981-D1992 PolarHBondContact N-O 3.02Å; K1981-D1992 PolarHBondContact O-N 2.87Å; V1990-D1992 VanDerWaalsContact CG1-OD2 3.3Å; V1990-D1992 WeakPolarHBondContact CG1-OD2 3.38Å |
| 1993 | L | 91.2 | Very high | 86.7 | Confident | 1.4 Ų | 1.4 | 51 Ų | 51 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 117.4 | 162.5 | -68.5 | 92.5 | 0 | 0 | 0 | 108.8 | A1948 V1949 F1951 R1979 I1980 L1991 S1995 T1996 D2000 W2004 | A1948-L1993 CarbonylContact C-O 3.54Å; A1948-L1993 WeakPolarHBondContact CA-O 3.36Å; A1948-L1993 WeakPolarHBondContact CB-O 3.25Å; V1949-L1993 HydrophobicContact CB-CB 4.43Å; V1949-L1993 HydrophobicContact CB-CD1 4.36Å; V1949-L1993 HydrophobicContact CG1-CD1 4.44Å; V1949-L1993 PolarHBondContact N-O 3.21Å; V1949-L1993 PolarHBondContact O-N 3.06Å; F1951-L1993 HydrophobicContact CD2-CD1 4.1Å; F1951-L1993 HydrophobicContact CE2-CD1 3.65Å; R1979-L1993 CarbonylContact O-C 3.46Å; R1979-L1993 WeakPolarHBondContact O-CA 3.29Å; I1980-L1993 HydrophobicContact CD1-CD2 4.42Å; I1980-L1993 HydrophobicContact CG1-CD2 4.21Å; I1980-L1993 HydrophobicContact CG1-CG 4.32Å; L1991-L1993 HydrophobicContact CD2-CD1 3.82Å; L1991-L1993 HydrophobicContact CD2-CG 4.3Å; L1991-L1993 HydrophobicContact CG-CD1 4.38Å; L1993-S1995 VanDerWaalsContact C-N 3.27Å; L1993-S1995 PolarHBondContact O-N 3.04Å; L1993-T1996 HydrophobicContact CB-CG2 4.25Å; L1993-T1996 HydrophobicContact CD2-CG2 4.42Å; L1993-D2000 HydrophobicContact CD2-CB 4.25Å; L1993-W2004 HydrophobicContact CD1-CH2 4.16Å; L1993-W2004 HydrophobicContact CD1-CZ2 4.21Å; L1993-W2004 HydrophobicContact CD1-CZ3 4.36Å; L1993-W2004 HydrophobicContact CD2-CH2 4.02Å; L1993-W2004 HydrophobicContact CD2-CZ2 3.8Å; L1993-W2004 HydrophobicContact CG-CH2 4.33Å; L1993-W2004 HydrophobicContact CG-CZ2 4.43Å |
| 1994 | S | 85.8 | Confident | 87.1 | Confident | 75.2 Ų | 75.2 | 47.6 Ų | 47.6 | 53% | 0.526 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -70.1 | -21.9 | -179.7 | 65.1 | 0 | 0 | 0 | 0 | 113.9 | R1979 | R1979-S1994 WeakPolarHBondContact CA-OG 3.33Å; R1979-S1994 PolarHBondContact O-N 2.97Å; R1979-S1994 PolarHBondContact O-OG 2.71Å |
| 1995 | S | 84.2 | Confident | 87.7 | Confident | 48.6 Ų | 48.6 | 46.1 Ų | 46.1 | 34% | 0.34 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -157.5 | 130.8 | 171.5 | 146.2 | 0 | 0 | 0 | 0 | 110.4 | G1946 Q1947 R1979 L1993 | G1946-S1995 WeakPolarHBondContact CA-OG 3.42Å; G1946-S1995 PolarHBondContact O-OG 2.98Å; Q1947-S1995 CarbonylContact O-C 3.59Å; Q1947-S1995 VanDerWaalsContact O-CA 3.23Å; Q1947-S1995 WeakPolarHBondContact O-CA 3.27Å; R1979-S1995 PolarHBondContact NH1-O 3.15Å; L1993-S1995 VanDerWaalsContact C-N 3.27Å; L1993-S1995 PolarHBondContact O-N 3.04Å |
| 1996 | T | 87.2 | Confident | 88.4 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | trans | -97.4 | 146.6 | 180 | 20.2 | 0 | 0 | 0 | 0 | 111.7 | V1943 G1946 Q1947 V1949 L1993 D2000 L2021 C2023 | V1943-T1996 HydrophobicContact CG2-CG2 4.07Å; V1943-T1996 WeakPolarHBondContact CG2-OG1 3.4Å; G1946-T1996 WeakPolarHBondContact CA-O 3.5Å; G1946-T1996 PolarHBondContact N-O 2.98Å; Q1947-T1996 VanDerWaalsContact O-CB 3.29Å; Q1947-T1996 WeakPolarHBondContact O-CB 3.33Å; Q1947-T1996 WeakPolarHBondContact O-CG2 3.22Å; Q1947-T1996 PolarHBondContact O-N 2.93Å; Q1947-T1996 PolarHBondContact O-OG1 2.91Å; V1949-T1996 HydrophobicContact CB-CG2 4.07Å; V1949-T1996 HydrophobicContact CG2-CG2 3.82Å; V1949-T1996 VanDerWaalsContact CG2-CG2 3.49Å; V1949-T1996 VanDerWaalsContact CG2-OG1 3.24Å; V1949-T1996 WeakPolarHBondContact CG2-OG1 3.32Å; L1993-T1996 HydrophobicContact CB-CG2 4.25Å; L1993-T1996 HydrophobicContact CD2-CG2 4.42Å; T1996-D2000 WeakPolarHBondContact CA-OD2 3.32Å; T1996-D2000 HydrophobicContact CG2-CB 3.89Å; T1996-L2021 HydrophobicContact CG2-CD2 3.9Å; T1996-L2021 HydrophobicContact CG2-CG 4.45Å; T1996-C2023 HydrophobicContact CG2-CB 4.4Å | ||
| 1997 | S | 84.5 | Confident | 89 | Confident | 27.4 Ų | 27.4 | 38.3 Ų | 38.3 | 19% | 0.192 | 19% | 0.194 | C | C | . | . | trans | -138.6 | 169.2 | 176.6 | 57.4 | 0 | 0 | 0 | 0 | 110.4 | E1945 R1999 D2000 | E1945-S1997 VanDerWaalsContact OE1-CA 3.23Å; E1945-S1997 WeakPolarHBondContact OE1-CA 3.35Å; E1945-S1997 VanDerWaalsContact OE1-CB 3.27Å; E1945-S1997 WeakPolarHBondContact OE1-CB 3.39Å; S1997-R1999 PolarHBondContact O-N 3.01Å; S1997-R1999 VanDerWaalsContact O-N 3.08Å; S1997-R1999 VanDerWaalsContact OG-CG 3.27Å; S1997-R1999 WeakPolarHBondContact OG-CG 3.31Å; S1997-R1999 PolarHBondContact OG-NE 2.99Å; S1997-R1999 VanDerWaalsContact OG-NE 3.09Å; S1997-D2000 PolarHBondContact N-OD2 3.02Å; S1997-D2000 WeakPolarHBondContact O-CB 3.38Å; S1997-D2000 PolarHBondContact O-N 3.07Å; S1997-D2000 PolarHBondContact OG-OD2 3.02Å | ||
| 1998 | K | 81.5 | Confident | 89.4 | Confident | 95.8 Ų | 95.8 | 38.1 Ų | 38.1 | 42% | 0.417 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -57.5 | -22.2 | -175.9 | -153.7 | 63.2 | 178.1 | 167.5 | 0 | 114.4 | E1945 D2000 E2001 C2023 A2025 | E1945-K1998 PolarHBondContact OE1-N 2.97Å; E1945-K1998 VanDerWaalsContact OE1-N 3.14Å; K1998-D2000 VanDerWaalsContact C-N 3.31Å; K1998-D2000 PolarHBondContact O-N 3.38Å; K1998-E2001 HydrophobicContact CD-CB 4.42Å; K1998-E2001 WeakPolarHBondContact CD-OE2 3.45Å; K1998-E2001 VanDerWaalsContact CE-OE2 3.3Å; K1998-E2001 WeakPolarHBondContact CE-OE2 3.37Å; K1998-E2001 IonicContact NZ-OE1 3.08Å; K1998-E2001 PolarHBondContact NZ-OE1 3.17Å; K1998-E2001 IonicContact NZ-OE2 3.16Å; K1998-E2001 PolarHBondContact NZ-OE2 3.19Å; K1998-E2001 WeakPolarHBondContact O-CB 3.31Å; K1998-E2001 PolarHBondContact O-N 3.14Å; K1998-C2023 HydrophobicContact CD-CB 4.35Å; K1998-C2023 VanDerWaalsContact CD-O 3.27Å; K1998-C2023 WeakPolarHBondContact CD-O 3.23Å; K1998-C2023 PolarHBondContact NZ-O 3.2Å; K1998-A2025 HydrophobicContact CB-CB 4.47Å; K1998-A2025 HydrophobicContact CD-CB 4.13Å; K1998-A2025 HydrophobicContact CG-CB 4.34Å |
| 1999 | R | 85.7 | Confident | 89.4 | Confident | 181.6 Ų | 181.6 | 36.5 Ų | 36.5 | 69% | 0.685 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -73.2 | -17.9 | 174.6 | 67.6 | 178.5 | -146.1 | -169.9 | -3.5 | 114.4 | H1969 S1997 E2001 | H1969-R1999 PolarHBondContact CE1-O 2.85Å; H1969-R1999 VanDerWaalsContact CE1-O 3.28Å; S1997-R1999 PolarHBondContact O-N 3.01Å; S1997-R1999 VanDerWaalsContact O-N 3.08Å; S1997-R1999 VanDerWaalsContact OG-CG 3.27Å; S1997-R1999 WeakPolarHBondContact OG-CG 3.31Å; S1997-R1999 PolarHBondContact OG-NE 2.99Å; S1997-R1999 VanDerWaalsContact OG-NE 3.09Å; R1999-E2001 VanDerWaalsContact C-N 3.3Å |
| 2000 | D | 89.1 | Confident | 89.2 | Confident | 5.6 Ų | 5.6 | 37.4 Ų | 37.4 | 3% | 0.03 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -88.4 | -6.2 | -179.1 | -55 | -58.7 | 0 | 0 | 0 | 112 | H1969 R1979 L1993 T1996 S1997 K1998 W2004 L2021 | H1969-D2000 VanDerWaalsContact NE2-C 3.33Å; H1969-D2000 PolarHBondContact NE2-O 3.3Å; H1969-D2000 VanDerWaalsContact NE2-O 3.1Å; R1979-D2000 IonicContact CZ-OD1 3.27Å; R1979-D2000 VanDerWaalsContact CZ-OD1 3.3Å; R1979-D2000 IonicContact CZ-OD2 3.17Å; R1979-D2000 VanDerWaalsContact NH1-CG 3.28Å; R1979-D2000 IonicContact NH1-OD1 3.4Å; R1979-D2000 PolarHBondContact NH1-OD1 3.07Å; R1979-D2000 VanDerWaalsContact NH1-OD1 3.14Å; R1979-D2000 IonicContact NH1-OD2 2.9Å; R1979-D2000 PolarHBondContact NH1-OD2 3.03Å; R1979-D2000 IonicContact NH2-OD1 3.13Å; R1979-D2000 PolarHBondContact NH2-OD1 2.96Å; R1979-D2000 IonicContact NH2-OD2 3.38Å; L1993-D2000 HydrophobicContact CD2-CB 4.25Å; T1996-D2000 WeakPolarHBondContact CA-OD2 3.32Å; T1996-D2000 HydrophobicContact CG2-CB 3.89Å; S1997-D2000 PolarHBondContact N-OD2 3.02Å; S1997-D2000 WeakPolarHBondContact O-CB 3.38Å; S1997-D2000 PolarHBondContact O-N 3.07Å; S1997-D2000 PolarHBondContact OG-OD2 3.02Å; K1998-D2000 VanDerWaalsContact C-N 3.31Å; K1998-D2000 PolarHBondContact O-N 3.38Å; D2000-W2004 HydrophobicContact CB-CZ2 4.38Å; D2000-W2004 PolarHBondContact O-NE1 2.87Å; D2000-L2021 HydrophobicContact CB-CD2 4.24Å; D2000-L2021 WeakPolarHBondContact O-CD2 3.47Å |
| 2001 | E | 88.8 | Confident | 88.6 | Confident | 71.4 Ų | 71.4 | 40.9 Ų | 40.9 | 33% | 0.334 | 22% | 0.224 | S | C | . | . | trans | -61.3 | 139.5 | 175.5 | -173.5 | 170 | -165.4 | 0 | 0 | 111.5 | H1969 N1970 K1998 R1999 L2021 C2023 | H1969-E2001 PolarHBondContact NE2-O 2.9Å; H1969-E2001 VanDerWaalsContact NE2-O 3.12Å; N1970-E2001 PolarHBondContact ND2-O 3.15Å; N1970-E2001 VanDerWaalsContact ND2-O 3.11Å; K1998-E2001 HydrophobicContact CD-CB 4.42Å; K1998-E2001 WeakPolarHBondContact CD-OE2 3.45Å; K1998-E2001 VanDerWaalsContact CE-OE2 3.3Å; K1998-E2001 WeakPolarHBondContact CE-OE2 3.37Å; K1998-E2001 IonicContact NZ-OE1 3.08Å; K1998-E2001 PolarHBondContact NZ-OE1 3.17Å; K1998-E2001 IonicContact NZ-OE2 3.16Å; K1998-E2001 PolarHBondContact NZ-OE2 3.19Å; K1998-E2001 WeakPolarHBondContact O-CB 3.31Å; K1998-E2001 PolarHBondContact O-N 3.14Å; R1999-E2001 VanDerWaalsContact C-N 3.3Å; E2001-L2021 WeakPolarHBondContact CA-O 3.32Å; E2001-L2021 VanDerWaalsContact CG-O 3.31Å; E2001-L2021 WeakPolarHBondContact CG-O 3.41Å; E2001-C2023 HydrophobicContact CB-CB 4.45Å; E2001-C2023 PolarHBondContact OE2-N 2.93Å | ||
| 2002 | G | 90.5 | Very high | 88 | Confident | 11.6 Ų | 11.6 | 42.7 Ų | 42.7 | 12% | 0.12 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 127.2 | -159 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | N1970 W2004 M2020 L2021 | N1970-G2002 VanDerWaalsContact OD1-CA 3.31Å; N1970-G2002 WeakPolarHBondContact OD1-CA 3.23Å; G2002-W2004 PolarHBondContact O-N 2.96Å; G2002-M2020 VanDerWaalsContact C-SD 3.52Å; G2002-L2021 PolarHBondContact N-O 3.22Å; G2002-L2021 PolarHBondContact O-N 3.08Å |
| 2003 | E | 93.4 | Very high | 87.7 | Confident | 57.4 Ų | 57.4 | 41.2 Ų | 41.2 | 27% | 0.268 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 114.6 | -174.3 | -174.8 | -176.9 | 97.6 | 0 | 0 | 110.6 | H1969 N1970 K2005 K2018 M2020 | H1969-E2003 CarbonylContact C-O 3.52Å; H1969-E2003 WeakPolarHBondContact CA-O 3.21Å; N1970-E2003 PolarHBondContact N-O 2.94Å; N1970-E2003 PolarHBondContact OD1-N 2.95Å; E2003-K2005 VanDerWaalsContact CD-NZ 3.34Å; E2003-K2005 WeakPolarHBondContact OE1-CE 3.26Å; E2003-K2005 IonicContact OE1-NZ 3.15Å; E2003-K2005 PolarHBondContact OE1-NZ 3.04Å; E2003-K2005 WeakPolarHBondContact OE2-CE 3.39Å; E2003-K2005 IonicContact OE2-NZ 3.62Å; E2003-K2005 PolarHBondContact OE2-NZ 2.87Å; E2003-K2018 HydrophobicContact CG-CB 4.43Å; E2003-K2018 HydrophobicContact CG-CD 4.33Å; E2003-K2018 WeakPolarHBondContact OE1-CD 3.48Å; E2003-K2018 WeakPolarHBondContact OE1-CE 3.4Å; E2003-K2018 VanDerWaalsContact OE1-CG 3.31Å; E2003-K2018 WeakPolarHBondContact OE1-CG 3.35Å; E2003-K2018 IonicContact OE1-NZ 3.63Å; E2003-K2018 PolarHBondContact OE1-NZ 3.11Å; E2003-K2018 WeakPolarHBondContact OE2-CD 3.27Å; E2003-K2018 IonicContact OE2-NZ 2.94Å; E2003-M2020 HydrophobicContact CB-CE 4.03Å; E2003-M2020 HydrophobicContact CB-SD 3.9Å; E2003-M2020 HydrophobicContact CG-CE 4.44Å; E2003-M2020 HydrophobicContact CG-SD 4.49Å |
| 2004 | W | 93.8 | Very high | 87.6 | Confident | 1.8 Ų | 1.8 | 45.3 Ų | 45.3 | 1% | 0.007 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127.4 | 167.1 | -73 | 83 | 0 | 0 | 0 | 109.2 | F1951 L1968 H1969 V1974 I1980 L1991 L1993 D2000 G2002 K2018 A2019 | F1951-W2004 HydrophobicContact CE1-CB 4.21Å; F1951-W2004 HydrophobicContact CE1-CG 4.41Å; F1951-W2004 HydrophobicContact CE2-CB 4.36Å; F1951-W2004 AromaticContact CE2-CD2 3.79Å; F1951-W2004 HydrophobicContact CE2-CD2 3.95Å; F1951-W2004 HydrophobicContact CE2-CE3 4.11Å; F1951-W2004 AromaticContact CE2-CG 3.91Å; F1951-W2004 HydrophobicContact CE2-CG 3.93Å; F1951-W2004 HydrophobicContact CZ-CB 3.92Å; F1951-W2004 AromaticContact CZ-CD1 3.77Å; F1951-W2004 AromaticContact CZ-CD2 3.99Å; F1951-W2004 HydrophobicContact CZ-CD2 4.16Å; F1951-W2004 AromaticContact CZ-CG 3.65Å; F1951-W2004 HydrophobicContact CZ-CG 3.65Å; L1968-W2004 CarbonylContact O-C 3.5Å; L1968-W2004 WeakPolarHBondContact O-CA 3.3Å; H1969-W2004 HydrophobicContact CB-CD2 4.31Å; H1969-W2004 HydrophobicContact CB-CE3 4.23Å; H1969-W2004 HydrophobicContact CB-CH2 4.07Å; H1969-W2004 HydrophobicContact CB-CZ2 4.14Å; H1969-W2004 HydrophobicContact CB-CZ3 4.12Å; H1969-W2004 AromaticContact CD2-CD1 3.79Å; H1969-W2004 AromaticContact CD2-CD2 3.87Å; H1969-W2004 AromaticContact CD2-CE2 3.29Å; H1969-W2004 AromaticContact CD2-CZ2 3.58Å; H1969-W2004 AromaticContact CD2-NE1 3.25Å; H1969-W2004 PolarHBondContact CD2-NE1 3.09Å; H1969-W2004 VanDerWaalsContact CD2-NE1 3.26Å; H1969-W2004 AromaticContact CG-CE2 3.9Å; H1969-W2004 AromaticContact CG-CZ2 3.84Å; H1969-W2004 AromaticContact NE2-CE2 3.95Å; H1969-W2004 AromaticContact NE2-NE1 3.68Å; V1974-W2004 HydrophobicContact CB-CZ3 4.23Å; V1974-W2004 HydrophobicContact CG1-CH2 4.3Å; V1974-W2004 HydrophobicContact CG1-CZ3 4.24Å; V1974-W2004 HydrophobicContact CG2-CH2 4.25Å; V1974-W2004 HydrophobicContact CG2-CZ3 3.92Å; I1980-W2004 HydrophobicContact CD1-CH2 4.36Å; L1991-W2004 HydrophobicContact CD1-CE3 4.42Å; L1991-W2004 HydrophobicContact CD1-CZ3 3.98Å; L1991-W2004 HydrophobicContact CD2-CD2 4.38Å; L1991-W2004 HydrophobicContact CD2-CE3 3.73Å; L1991-W2004 VanDerWaalsContact CD2-CE3 3.41Å; L1991-W2004 HydrophobicContact CD2-CH2 4.42Å; L1991-W2004 HydrophobicContact CD2-CZ3 3.57Å; L1991-W2004 VanDerWaalsContact CD2-CZ3 3.46Å; L1993-W2004 HydrophobicContact CD1-CH2 4.16Å; L1993-W2004 HydrophobicContact CD1-CZ2 4.21Å; L1993-W2004 HydrophobicContact CD1-CZ3 4.36Å; L1993-W2004 HydrophobicContact CD2-CH2 4.02Å; L1993-W2004 HydrophobicContact CD2-CZ2 3.8Å; L1993-W2004 HydrophobicContact CG-CH2 4.33Å; L1993-W2004 HydrophobicContact CG-CZ2 4.43Å; D2000-W2004 HydrophobicContact CB-CZ2 4.38Å; D2000-W2004 PolarHBondContact O-NE1 2.87Å; G2002-W2004 PolarHBondContact O-N 2.96Å; W2004-K2018 CarbonylContact O-C 3.52Å; W2004-K2018 VanDerWaalsContact O-CA 3.28Å; W2004-K2018 WeakPolarHBondContact O-CA 3.33Å; W2004-A2019 PolarHBondContact N-O 3.06Å; W2004-A2019 PolarHBondContact O-N 3.13Å |
| 2005 | K | 93.2 | Very high | 87.8 | Confident | 29.2 Ų | 29.2 | 42.7 Ų | 42.7 | 13% | 0.127 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 130.9 | -176.3 | 178.3 | -173.5 | -45.8 | -170.4 | 0 | 111.2 | W1967 L1968 E2003 L2007 E2016 C2017 K2018 | W1967-K2005 CarbonylContact C-O 3.48Å; W1967-K2005 WeakPolarHBondContact CA-O 3.32Å; L1968-K2005 HydrophobicContact CB-CB 4.26Å; L1968-K2005 HydrophobicContact CD1-CD 4.06Å; L1968-K2005 HydrophobicContact CD1-CG 4.48Å; L1968-K2005 PolarHBondContact N-O 2.85Å; L1968-K2005 PolarHBondContact O-N 2.86Å; E2003-K2005 VanDerWaalsContact CD-NZ 3.34Å; E2003-K2005 WeakPolarHBondContact OE1-CE 3.26Å; E2003-K2005 IonicContact OE1-NZ 3.15Å; E2003-K2005 PolarHBondContact OE1-NZ 3.04Å; E2003-K2005 WeakPolarHBondContact OE2-CE 3.39Å; E2003-K2005 IonicContact OE2-NZ 3.62Å; E2003-K2005 PolarHBondContact OE2-NZ 2.87Å; K2005-L2007 HydrophobicContact CD-CD1 4.04Å; K2005-L2007 HydrophobicContact CD-CD2 4.35Å; K2005-L2007 HydrophobicContact CD-CG 4.1Å; K2005-L2007 HydrophobicContact CG-CG 4.4Å; K2005-E2016 HydrophobicContact CD-CB 4.12Å; K2005-E2016 VanDerWaalsContact CD-OE2 3.3Å; K2005-E2016 WeakPolarHBondContact CD-OE2 3.29Å; K2005-E2016 WeakPolarHBondContact CE-OE2 3.4Å; K2005-E2016 HydrophobicContact CG-CB 4.37Å; K2005-E2016 IonicContact NZ-OE1 2.79Å; K2005-E2016 IonicContact NZ-OE2 3.23Å; K2005-E2016 PolarHBondContact NZ-OE2 2.89Å; K2005-C2017 CarbonylContact C-O 3.57Å; K2005-C2017 VanDerWaalsContact CA-O 3.27Å; K2005-C2017 WeakPolarHBondContact CA-O 3.32Å; K2005-C2017 WeakPolarHBondContact CG-O 3.31Å; K2005-K2018 HydrophobicContact CB-CG 4.07Å; K2005-K2018 HydrophobicContact CD-CD 4.45Å; K2005-K2018 HydrophobicContact CD-CG 4.22Å; K2005-K2018 HydrophobicContact CG-CD 4.47Å; K2005-K2018 HydrophobicContact CG-CG 3.83Å |
| 2006 | C | 92.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 127.8 | 168.4 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | F1933 L1937 W1967 E2016 C2017 | F1933-C2006 HydrophobicContact CZ-CB 4.26Å; L1937-C2006 HydrophobicContact CD1-CB 4.25Å; W1967-C2006 HydrophobicContact CD2-CB 4.12Å; W1967-C2006 HydrophobicContact CE3-CB 3.92Å; W1967-C2006 HydrophobicContact CH2-CB 3.92Å; W1967-C2006 HydrophobicContact CZ2-CB 4.07Å; W1967-C2006 HydrophobicContact CZ3-CB 3.83Å; C2006-E2016 CarbonylContact O-C 3.56Å; C2006-E2016 VanDerWaalsContact O-CA 3.3Å; C2006-E2016 WeakPolarHBondContact O-CA 3.31Å; C2006-C2017 PolarHBondContact N-O 3.04Å; C2006-C2017 PolarHBondContact O-N 2.99Å |
| 2007 | L | 91.8 | Very high | 88.4 | Confident | 45.6 Ų | 45.6 | 45.6 Ų | 45.6 | 24% | 0.239 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.7 | 175 | -89 | 154 | 0 | 0 | 0 | 109.3 | V1965 I1966 L1968 K2005 A2015 E2016 | V1965-L2007 WeakPolarHBondContact CA-O 3.28Å; I1966-L2007 HydrophobicContact CB-CB 4.3Å; I1966-L2007 HydrophobicContact CG2-CD1 4.5Å; I1966-L2007 PolarHBondContact N-O 3.11Å; I1966-L2007 PolarHBondContact O-N 2.94Å; L1968-L2007 HydrophobicContact CD1-CD1 3.5Å; L1968-L2007 HydrophobicContact CD1-CG 4.1Å; L1968-L2007 HydrophobicContact CD2-CD1 4.49Å; L1968-L2007 HydrophobicContact CG-CD1 4.01Å; K2005-L2007 HydrophobicContact CD-CD1 4.04Å; K2005-L2007 HydrophobicContact CD-CD2 4.35Å; K2005-L2007 HydrophobicContact CD-CG 4.1Å; K2005-L2007 HydrophobicContact CG-CG 4.4Å; L2007-A2015 WeakPolarHBondContact CA-O 3.33Å; L2007-E2016 HydrophobicContact CD1-CB 4.21Å; L2007-E2016 HydrophobicContact CD2-CB 3.75Å; L2007-E2016 HydrophobicContact CG-CB 4.29Å |
| 2008 | L | 90.6 | Very high | 88.8 | Confident | 0.4 Ų | 0.4 | 48.2 Ų | 48.2 | 0% | 0.002 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 131.5 | 170.6 | -62.6 | 175.5 | 0 | 0 | 0 | 108.5 | P1931 F1933 F1955 L1963 Q1964 V1965 S2014 A2015 | P1931-L2008 HydrophobicContact CB-CB 4Å; P1931-L2008 HydrophobicContact CB-CD1 4.41Å; P1931-L2008 HydrophobicContact CG-CB 4.11Å; F1933-L2008 HydrophobicContact CD1-CD1 4.05Å; F1933-L2008 HydrophobicContact CD2-CD1 4.37Å; F1933-L2008 HydrophobicContact CE1-CD1 3.49Å; F1933-L2008 VanDerWaalsContact CE1-CD1 3.47Å; F1933-L2008 HydrophobicContact CE1-CG 4.03Å; F1933-L2008 HydrophobicContact CE2-CD1 3.91Å; F1933-L2008 HydrophobicContact CE2-CG 4.15Å; F1933-L2008 HydrophobicContact CG-CD1 4.43Å; F1933-L2008 HydrophobicContact CZ-CB 4.47Å; F1933-L2008 HydrophobicContact CZ-CD1 3.42Å; F1933-L2008 VanDerWaalsContact CZ-CD1 3.47Å; F1933-L2008 HydrophobicContact CZ-CG 3.56Å; F1955-L2008 HydrophobicContact CB-CD1 3.35Å; F1955-L2008 VanDerWaalsContact CB-CD1 3.44Å; F1955-L2008 HydrophobicContact CD1-CD1 3.74Å; F1955-L2008 HydrophobicContact CD1-CD2 4.23Å; F1955-L2008 HydrophobicContact CD2-CD1 4.24Å; F1955-L2008 HydrophobicContact CE1-CD1 4.48Å; F1955-L2008 HydrophobicContact CE1-CD2 4.31Å; F1955-L2008 HydrophobicContact CG-CD1 3.51Å; F1955-L2008 VanDerWaalsContact CG-CD1 3.44Å; F1955-L2008 HydrophobicContact CG-CD2 4.39Å; L1963-L2008 HydrophobicContact CD1-CB 4.3Å; Q1964-L2008 CarbonylContact O-C 3.5Å; Q1964-L2008 WeakPolarHBondContact O-CA 3.39Å; V1965-L2008 HydrophobicContact CB-CD2 4.15Å; V1965-L2008 HydrophobicContact CG1-CD2 4.02Å; V1965-L2008 HydrophobicContact CG2-CD2 3.58Å; V1965-L2008 VanDerWaalsContact CG2-CD2 3.47Å; L2008-S2014 CarbonylContact O-C 3.57Å; L2008-S2014 WeakPolarHBondContact O-CA 3.38Å; L2008-S2014 VanDerWaalsContact O-CB 3.27Å; L2008-S2014 WeakPolarHBondContact O-CB 3.26Å; L2008-A2015 PolarHBondContact N-O 3.03Å; L2008-A2015 PolarHBondContact O-N 3.08Å |
| 2009 | S | 87.9 | Confident | 89.3 | Confident | 35 Ų | 35 | 43.8 Ų | 43.8 | 25% | 0.245 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 133.7 | 175.1 | 57.9 | 0 | 0 | 0 | 0 | 111.5 | L1963 Q1964 G2013 | L1963-S2009 CarbonylContact C-O 3.51Å; L1963-S2009 WeakPolarHBondContact CA-O 3.4Å; Q1964-S2009 PolarHBondContact N-O 3.06Å; Q1964-S2009 PolarHBondContact O-N 3.17Å; S2009-G2013 CarbonylContact C-O 3.58Å; S2009-G2013 WeakPolarHBondContact CA-O 3.35Å |
| 2010 | N | 86.3 | Confident | 89.6 | Confident | 18.2 Ų | 18.2 | 39.2 Ų | 39.2 | 10% | 0.097 | 24% | 0.236 | C | C | . | . | trans | -129.1 | -174.3 | 171.6 | 73.3 | -1.4 | 0 | 0 | 0 | 110.5 | Q1929 P1931 D1960 S1962 L1963 A2012 G2013 | Q1929-N2010 PolarHBondContact O-ND2 3.13Å; P1931-N2010 VanDerWaalsContact CD-OD1 3.29Å; P1931-N2010 WeakPolarHBondContact CD-OD1 3.34Å; D1960-N2010 WeakPolarHBondContact OD2-CB 3.39Å; D1960-N2010 PolarHBondContact OD2-ND2 3.08Å; S1962-N2010 WeakPolarHBondContact O-CA 3.38Å; S1962-N2010 WeakPolarHBondContact OG-CB 3.22Å; L1963-N2010 HydrophobicContact CB-CB 4.47Å; L1963-N2010 HydrophobicContact CD1-CB 4.08Å; N2010-A2012 PolarHBondContact O-N 3.08Å; N2010-A2012 VanDerWaalsContact O-N 3.14Å; N2010-A2012 WeakPolarHBondContact OD1-CA 3.4Å; N2010-A2012 WeakPolarHBondContact OD1-CB 3.35Å; N2010-A2012 PolarHBondContact OD1-N 3.22Å; N2010-G2013 PolarHBondContact N-O 3.08Å; N2010-G2013 PolarHBondContact O-N 3.02Å; N2010-G2013 PolarHBondContact OD1-N 3.06Å; N2010-G2013 PolarHBondContact OD1-O 3.12Å; N2010-G2013 VanDerWaalsContact OD1-O 3.11Å | ||
| 2011 | A | 79 | Confident | 89.7 | Confident | 90 Ų | 90 | 39 Ų | 39 | 74% | 0.744 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -62.1 | -19.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1962 | S1962-A2011 WeakPolarHBondContact OG-CB 3.2Å; S1962-A2011 PolarHBondContact OG-N 2.92Å; S1962-A2011 VanDerWaalsContact OG-N 3.07Å |
| 2012 | A | 79.9 | Confident | 89.7 | Confident | 41.8 Ų | 41.8 | 38.1 Ų | 38.1 | 35% | 0.345 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -93.1 | -29 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1928 T1930 N2010 | A1928-A2012 HydrophobicContact CB-CB 4.17Å; A1928-A2012 WeakPolarHBondContact O-CB 3.5Å; T1930-A2012 HydrophobicContact CG2-CB 4.07Å; T1930-A2012 VanDerWaalsContact CG2-O 3.29Å; T1930-A2012 WeakPolarHBondContact CG2-O 3.24Å; N2010-A2012 PolarHBondContact O-N 3.08Å; N2010-A2012 VanDerWaalsContact O-N 3.14Å; N2010-A2012 WeakPolarHBondContact OD1-CA 3.4Å; N2010-A2012 WeakPolarHBondContact OD1-CB 3.35Å; N2010-A2012 PolarHBondContact OD1-N 3.22Å |
| 2013 | G | 85.3 | Confident | 89.4 | Confident | 26.2 Ų | 26.2 | 37.7 Ų | 37.7 | 27% | 0.27 | 23% | 0.231 | S | C | . | . | trans | 168 | -160.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P1931 S2009 N2010 | P1931-G2013 VanDerWaalsContact CD-O 3.26Å; P1931-G2013 WeakPolarHBondContact CD-O 3.27Å; S2009-G2013 CarbonylContact C-O 3.58Å; S2009-G2013 WeakPolarHBondContact CA-O 3.35Å; N2010-G2013 PolarHBondContact N-O 3.08Å; N2010-G2013 PolarHBondContact O-N 3.02Å; N2010-G2013 PolarHBondContact OD1-N 3.06Å; N2010-G2013 PolarHBondContact OD1-O 3.12Å; N2010-G2013 VanDerWaalsContact OD1-O 3.11Å | ||
| 2014 | S | 89 | Confident | 88.7 | Confident | 87 Ų | 87 | 41.5 Ų | 41.5 | 61% | 0.608 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 154.6 | -178.4 | 59.8 | 0 | 0 | 0 | 0 | 113 | L2008 | L2008-S2014 CarbonylContact O-C 3.57Å; L2008-S2014 WeakPolarHBondContact O-CA 3.38Å; L2008-S2014 VanDerWaalsContact O-CB 3.27Å; L2008-S2014 WeakPolarHBondContact O-CB 3.26Å |
| 2015 | A | 90.3 | Very high | 87.4 | Confident | 19.8 Ų | 19.8 | 44 Ų | 44 | 16% | 0.164 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 150.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.7 | P1931 F1933 L2007 L2008 | P1931-A2015 HydrophobicContact CG-CB 4.44Å; P1931-A2015 VanDerWaalsContact O-CB 3.23Å; P1931-A2015 WeakPolarHBondContact O-CB 3.27Å; F1933-A2015 HydrophobicContact CD2-CB 3.95Å; F1933-A2015 HydrophobicContact CE2-CB 3.93Å; L2007-A2015 WeakPolarHBondContact CA-O 3.33Å; L2008-A2015 PolarHBondContact N-O 3.03Å; L2008-A2015 PolarHBondContact O-N 3.08Å |
| 2016 | E | 92.5 | Very high | 85.8 | Confident | 99.6 Ų | 99.6 | 49.4 Ų | 49.4 | 47% | 0.465 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 144.7 | 173.2 | 63.2 | 168 | -151.4 | 0 | 0 | 111.5 | F1933 K2005 C2006 L2007 K2018 | F1933-E2016 VanDerWaalsContact CE2-C 3.47Å; K2005-E2016 HydrophobicContact CD-CB 4.12Å; K2005-E2016 VanDerWaalsContact CD-OE2 3.3Å; K2005-E2016 WeakPolarHBondContact CD-OE2 3.29Å; K2005-E2016 WeakPolarHBondContact CE-OE2 3.4Å; K2005-E2016 HydrophobicContact CG-CB 4.37Å; K2005-E2016 IonicContact NZ-OE1 2.79Å; K2005-E2016 IonicContact NZ-OE2 3.23Å; K2005-E2016 PolarHBondContact NZ-OE2 2.89Å; C2006-E2016 CarbonylContact O-C 3.56Å; C2006-E2016 VanDerWaalsContact O-CA 3.3Å; C2006-E2016 WeakPolarHBondContact O-CA 3.31Å; L2007-E2016 HydrophobicContact CD1-CB 4.21Å; L2007-E2016 HydrophobicContact CD2-CB 3.75Å; L2007-E2016 HydrophobicContact CG-CB 4.29Å; E2016-K2018 VanDerWaalsContact OE1-CE 3.25Å; E2016-K2018 WeakPolarHBondContact OE1-CE 3.33Å; E2016-K2018 IonicContact OE1-NZ 3.13Å; E2016-K2018 PolarHBondContact OE1-NZ 2.81Å; E2016-K2018 WeakPolarHBondContact OE2-CE 3.26Å; E2016-K2018 IonicContact OE2-NZ 2.7Å; E2016-K2018 PolarHBondContact OE2-NZ 3.32Å |
| 2017 | C | 90.7 | Very high | 83.7 | Confident | 11.6 Ų | 11.6 | 58.4 Ų | 58.4 | 8% | 0.078 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 151.7 | 166.8 | 112 | 0 | 0 | 0 | 0 | 110.2 | F1933 P1936 L1937 K2005 C2006 | F1933-C2017 HydrophobicContact CD1-CB 4.34Å; F1933-C2017 HydrophobicContact CD2-CB 3.82Å; F1933-C2017 HydrophobicContact CE1-CB 4.29Å; F1933-C2017 WeakPolarHBondContact CE1-SG 3.44Å; F1933-C2017 HydrophobicContact CE2-CB 3.77Å; F1933-C2017 HydrophobicContact CG-CB 4.11Å; F1933-C2017 HydrophobicContact CZ-CB 4Å; F1933-C2017 WeakPolarHBondContact CZ-SG 3.46Å; P1936-C2017 VanDerWaalsContact CA-SG 3.56Å; P1936-C2017 HydrophobicContact CB-CB 4.12Å; P1936-C2017 WeakPolarHBondContact CB-SG 3.36Å; L1937-C2017 HydrophobicContact CD1-CB 4.28Å; L1937-C2017 WeakPolarHBondContact CD1-SG 3.41Å; L1937-C2017 HydrophobicContact CG-CB 4.3Å; L1937-C2017 VanDerWaalsContact CG-SG 3.58Å; L1937-C2017 WeakPolarHBondContact CG-SG 3.02Å; L1937-C2017 PolarHBondContact N-SG 2.8Å; K2005-C2017 CarbonylContact C-O 3.57Å; K2005-C2017 VanDerWaalsContact CA-O 3.27Å; K2005-C2017 WeakPolarHBondContact CA-O 3.32Å; K2005-C2017 WeakPolarHBondContact CG-O 3.31Å; C2006-C2017 PolarHBondContact N-O 3.04Å; C2006-C2017 PolarHBondContact O-N 2.99Å |
| 2018 | K | 92.7 | Very high | 81.3 | Confident | 82.2 Ų | 82.2 | 61.2 Ų | 61.2 | 36% | 0.357 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 147.8 | -167.5 | -54.4 | 174.5 | -170 | -163.7 | 0 | 111.8 | E2003 W2004 K2005 E2016 | E2003-K2018 HydrophobicContact CG-CB 4.43Å; E2003-K2018 HydrophobicContact CG-CD 4.33Å; E2003-K2018 WeakPolarHBondContact OE1-CD 3.48Å; E2003-K2018 WeakPolarHBondContact OE1-CE 3.4Å; E2003-K2018 VanDerWaalsContact OE1-CG 3.31Å; E2003-K2018 WeakPolarHBondContact OE1-CG 3.35Å; E2003-K2018 IonicContact OE1-NZ 3.63Å; E2003-K2018 PolarHBondContact OE1-NZ 3.11Å; E2003-K2018 WeakPolarHBondContact OE2-CD 3.27Å; E2003-K2018 IonicContact OE2-NZ 2.94Å; W2004-K2018 CarbonylContact O-C 3.52Å; W2004-K2018 VanDerWaalsContact O-CA 3.28Å; W2004-K2018 WeakPolarHBondContact O-CA 3.33Å; K2005-K2018 HydrophobicContact CB-CG 4.07Å; K2005-K2018 HydrophobicContact CD-CD 4.45Å; K2005-K2018 HydrophobicContact CD-CG 4.22Å; K2005-K2018 HydrophobicContact CG-CD 4.47Å; K2005-K2018 HydrophobicContact CG-CG 3.83Å; E2016-K2018 VanDerWaalsContact OE1-CE 3.25Å; E2016-K2018 WeakPolarHBondContact OE1-CE 3.33Å; E2016-K2018 IonicContact OE1-NZ 3.13Å; E2016-K2018 PolarHBondContact OE1-NZ 2.81Å; E2016-K2018 WeakPolarHBondContact OE2-CE 3.26Å; E2016-K2018 IonicContact OE2-NZ 2.7Å; E2016-K2018 PolarHBondContact OE2-NZ 3.32Å |
| 2019 | A | 92.1 | Very high | 78.9 | Confident | 2.8 Ų | 2.8 | 67.2 Ų | 67.2 | 2% | 0.023 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 147.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | L1937 E1938 F1941 F1951 W2004 | L1937-A2019 HydrophobicContact CB-CB 4.21Å; L1937-A2019 HydrophobicContact CD1-CB 4.35Å; E1938-A2019 WeakPolarHBondContact O-CB 3.43Å; F1941-A2019 HydrophobicContact CD2-CB 4.1Å; F1941-A2019 HydrophobicContact CE2-CB 3.9Å; F1951-A2019 HydrophobicContact CD1-CB 3.96Å; F1951-A2019 HydrophobicContact CE1-CB 3.66Å; W2004-A2019 PolarHBondContact N-O 3.06Å; W2004-A2019 PolarHBondContact O-N 3.13Å |
| 2020 | M | 92 | Very high | 76.7 | Confident | 85.6 Ų | 85.6 | 69.9 Ų | 69.9 | 42% | 0.422 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 121.8 | 175.1 | -151.7 | 49.7 | 42 | 0 | 0 | 109.8 | A1939 N1940 F1941 G2002 E2003 | A1939-M2020 PolarHBondContact O-N 2.98Å; N1940-M2020 CarbonylContact C-O 3.53Å; N1940-M2020 VanDerWaalsContact CA-O 3.31Å; N1940-M2020 WeakPolarHBondContact CA-O 3.36Å; F1941-M2020 PolarHBondContact N-O 3.16Å; G2002-M2020 VanDerWaalsContact C-SD 3.52Å; E2003-M2020 HydrophobicContact CB-CE 4.03Å; E2003-M2020 HydrophobicContact CB-SD 3.9Å; E2003-M2020 HydrophobicContact CG-CE 4.44Å; E2003-M2020 HydrophobicContact CG-SD 4.49Å |
| 2021 | L | 91.6 | Very high | 75 | Confident | 1.4 Ų | 1.4 | 76.8 Ų | 76.8 | 1% | 0.007 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 122.3 | 175.5 | -177.7 | 59 | 0 | 0 | 0 | 110 | F1941 V1943 V1949 F1951 T1996 D2000 E2001 G2002 | F1941-L2021 HydrophobicContact CB-CD1 3.59Å; V1943-L2021 HydrophobicContact CG2-CD1 3.81Å; V1949-L2021 HydrophobicContact CG1-CD1 4.15Å; V1949-L2021 HydrophobicContact CG2-CD1 3.85Å; V1949-L2021 HydrophobicContact CG2-CD2 4.38Å; F1951-L2021 HydrophobicContact CZ-CB 4.37Å; F1951-L2021 HydrophobicContact CZ-CD2 4.37Å; T1996-L2021 HydrophobicContact CG2-CD2 3.9Å; T1996-L2021 HydrophobicContact CG2-CG 4.45Å; D2000-L2021 HydrophobicContact CB-CD2 4.24Å; D2000-L2021 WeakPolarHBondContact O-CD2 3.47Å; E2001-L2021 WeakPolarHBondContact CA-O 3.32Å; E2001-L2021 VanDerWaalsContact CG-O 3.31Å; E2001-L2021 WeakPolarHBondContact CG-O 3.41Å; G2002-L2021 PolarHBondContact N-O 3.22Å; G2002-L2021 PolarHBondContact O-N 3.08Å |
| 2022 | S | 88.6 | Confident | 73.3 | Confident | 52.2 Ų | 52.2 | 80.2 Ų | 80.2 | 37% | 0.365 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 124.6 | 172.1 | 59.7 | 0 | 0 | 0 | 0 | 110.2 | F1941 A1942 V1943 | F1941-S2022 PolarHBondContact O-N 2.98Å; F1941-S2022 PolarHBondContact O-OG 3.06Å; F1941-S2022 VanDerWaalsContact O-OG 3.07Å; A1942-S2022 WeakPolarHBondContact CA-O 3.36Å; A1942-S2022 WeakPolarHBondContact CA-OG 3.39Å; A1942-S2022 WeakPolarHBondContact CB-OG 3.41Å; V1943-S2022 PolarHBondContact N-O 3.08Å |
| 2023 | C | 85 | Confident | 71.8 | Confident | 3.2 Ų | 3.2 | 82.5 Ų | 82.5 | 2% | 0.022 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 113 | -178.2 | -172.4 | 0 | 0 | 0 | 0 | 110.2 | V1943 T1996 K1998 E2001 A2025 | V1943-C2023 CarbonylContact O-C 3.54Å; V1943-C2023 VanDerWaalsContact O-CA 3.31Å; V1943-C2023 WeakPolarHBondContact O-CA 3.3Å; T1996-C2023 HydrophobicContact CG2-CB 4.4Å; K1998-C2023 HydrophobicContact CD-CB 4.35Å; K1998-C2023 VanDerWaalsContact CD-O 3.27Å; K1998-C2023 WeakPolarHBondContact CD-O 3.23Å; K1998-C2023 PolarHBondContact NZ-O 3.2Å; E2001-C2023 HydrophobicContact CB-CB 4.45Å; E2001-C2023 PolarHBondContact OE2-N 2.93Å; C2023-A2025 PolarHBondContact O-N 2.81Å |
| 2024 | E | 78.7 | Confident | 70.2 | Confident | 137.2 Ų | 137.2 | 89.3 Ų | 89.3 | 64% | 0.641 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 121.6 | 173.6 | -102.3 | -175.7 | 171.8 | 0 | 0 | 109.7 | V1943 I1944 E1945 | V1943-E2024 PolarHBondContact O-N 3Å; I1944-E2024 WeakPolarHBondContact CA-O 3.22Å; E1945-E2024 PolarHBondContact N-O 3.22Å |
| 2025 | A | 66.6 | Low | 68.2 | Low | 55 Ų | 55 | 91.5 Ų | 91.5 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 137.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | K1998 C2023 E2027 | K1998-A2025 HydrophobicContact CB-CB 4.47Å; K1998-A2025 HydrophobicContact CD-CB 4.13Å; K1998-A2025 HydrophobicContact CG-CB 4.34Å; C2023-A2025 PolarHBondContact O-N 2.81Å; A2025-E2027 PolarHBondContact O-N 2.97Å |
| 2026 | K | 59.2 | Low | 66.4 | Low | 143.6 Ų | 143.6 | 96 Ų | 96 | 62% | 0.624 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 111.9 | 172.3 | -113.8 | 176 | 178.4 | 172.2 | 0 | 109 | I1944 E1945 S2028 | I1944-K2026 HydrophobicContact CG2-CB 4.24Å; I1944-K2026 HydrophobicContact CG2-CD 4.39Å; I1944-K2026 HydrophobicContact CG2-CG 4.27Å; E1945-K2026 PolarHBondContact OE2-N 3.41Å; K2026-S2028 VanDerWaalsContact C-N 3.35Å; K2026-S2028 PolarHBondContact O-N 3.06Å |
| 2027 | E | 48.1 | Very low | 64.5 | Low | 188.6 Ų | 188.6 | 99.7 Ų | 99.7 | 88% | 0.881 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -21.8 | 103.4 | -179.6 | -71.4 | -171 | 152.5 | 0 | 0 | 115.3 | A2025 I2029 | A2025-E2027 PolarHBondContact O-N 2.97Å; E2027-I2029 PolarHBondContact O-N 3.07Å |
| 2028 | S | 40.5 | Very low | 62.6 | Low | 104.8 Ų | 104.8 | 101.4 Ų | 101.4 | 73% | 0.733 | 53% | 0.532 | S | S | * | . | trans | 164.2 | 55.8 | 171.1 | 62.1 | 0 | 0 | 0 | 0 | 118.4 | K2026 | K2026-S2028 VanDerWaalsContact C-N 3.35Å; K2026-S2028 PolarHBondContact O-N 3.06Å | ||
| 2029 | I | 41.2 | Very low | 60.8 | Low | 125.6 Ų | 125.6 | 103.1 Ų | 103.1 | 64% | 0.644 | 54% | 0.544 | S | S | * | . | trans | -117.8 | 123 | 160.9 | -64.6 | 171 | 0 | 0 | 0 | 109.7 | E2027 F2031 | E2027-I2029 PolarHBondContact O-N 3.07Å; I2029-F2031 HydrophobicContact CB-CE2 4.24Å; I2029-F2031 HydrophobicContact CB-CZ 4.26Å; I2029-F2031 HydrophobicContact CG2-CD1 4.19Å; I2029-F2031 HydrophobicContact CG2-CD2 4.2Å; I2029-F2031 HydrophobicContact CG2-CE1 3.95Å; I2029-F2031 HydrophobicContact CG2-CE2 4.02Å; I2029-F2031 HydrophobicContact CG2-CG 4.22Å; I2029-F2031 HydrophobicContact CG2-CZ 3.95Å; I2029-F2031 VanDerWaalsContact O-CD2 3.3Å; I2029-F2031 WeakPolarHBondContact O-CD2 3.39Å; I2029-F2031 WeakPolarHBondContact O-CE2 3.31Å; I2029-F2031 PolarHBondContact O-N 2.88Å | ||
| 2030 | S | 42 | Very low | 59 | Low | 91 Ų | 91 | 106.9 Ų | 106.9 | 64% | 0.636 | 57% | 0.569 | S | S | * | * | trans | -82.7 | 114 | 173.8 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | E2032 | S2030-E2032 VanDerWaalsContact C-N 3.31Å; S2030-E2032 PolarHBondContact O-N 3.08Å; S2030-E2032 PolarHBondContact OG-N 3.23Å | ||
| 2031 | F | 49.8 | Very low | 57.3 | Low | 162.6 Ų | 162.6 | 109.4 Ų | 109.4 | 71% | 0.713 | 57% | 0.573 | S | S | * | * | trans | -86 | 2.6 | 178.3 | -63.9 | -80.3 | 0 | 0 | 0 | 113.9 | I2029 S2033 | I2029-F2031 HydrophobicContact CB-CE2 4.24Å; I2029-F2031 HydrophobicContact CB-CZ 4.26Å; I2029-F2031 HydrophobicContact CG2-CD1 4.19Å; I2029-F2031 HydrophobicContact CG2-CD2 4.2Å; I2029-F2031 HydrophobicContact CG2-CE1 3.95Å; I2029-F2031 HydrophobicContact CG2-CE2 4.02Å; I2029-F2031 HydrophobicContact CG2-CG 4.22Å; I2029-F2031 HydrophobicContact CG2-CZ 3.95Å; I2029-F2031 VanDerWaalsContact O-CD2 3.3Å; I2029-F2031 WeakPolarHBondContact O-CD2 3.39Å; I2029-F2031 WeakPolarHBondContact O-CE2 3.31Å; I2029-F2031 PolarHBondContact O-N 2.88Å; F2031-S2033 PolarHBondContact O-N 2.99Å; F2031-S2033 VanDerWaalsContact O-N 3.11Å | ||
| 2032 | E | 44.5 | Very low | 55.6 | Low | 161.4 Ų | 161.4 | 113.2 Ų | 113.2 | 75% | 0.754 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -79.7 | 111.4 | 175.3 | -69.2 | -170.6 | 166.6 | 0 | 0 | 111.2 | S2030 Q2034 | S2030-E2032 VanDerWaalsContact C-N 3.31Å; S2030-E2032 PolarHBondContact O-N 3.08Å; S2030-E2032 PolarHBondContact OG-N 3.23Å; E2032-Q2034 PolarHBondContact O-N 3.13Å; E2032-Q2034 VanDerWaalsContact O-N 3.16Å; E2032-Q2034 PolarHBondContact O-NE2 3.42Å |
| 2033 | S | 46.9 | Very low | 54 | Low | 92 Ų | 92 | 116.8 Ų | 116.8 | 64% | 0.643 | 61% | 0.606 | S | S | * | * | trans | -66.2 | 121.8 | 173.5 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | F2031 Q2035 P2036 | F2031-S2033 PolarHBondContact O-N 2.99Å; F2031-S2033 VanDerWaalsContact O-N 3.11Å; S2033-Q2035 VanDerWaalsContact C-N 3.28Å; S2033-Q2035 PolarHBondContact O-N 3.05Å; S2033-Q2035 PolarHBondContact OG-N 3.18Å; S2033-Q2035 PolarHBondContact OG-O 3.1Å; S2033-P2036 WeakPolarHBondContact O-CD 3.26Å | ||
| 2034 | Q | 52.9 | Low | 52.7 | Low | 168.2 Ų | 168.2 | 122.3 Ų | 122.3 | 79% | 0.786 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -74.1 | 4.7 | -175.6 | -63.4 | -108.5 | -29.3 | 0 | 0 | 114.2 | E2032 P2036 | E2032-Q2034 PolarHBondContact O-N 3.13Å; E2032-Q2034 VanDerWaalsContact O-N 3.16Å; E2032-Q2034 PolarHBondContact O-NE2 3.42Å; Q2034-P2036 VanDerWaalsContact C-CD 3.49Å; Q2034-P2036 WeakPolarHBondContact O-CD 3.44Å |
| 2035 | Q | 46.2 | Very low | 51.4 | Low | 132.6 Ų | 132.6 | 121.6 Ų | 121.6 | 62% | 0.62 | 63% | 0.631 | S | S | * | * | trans | -127.8 | 83 | 177.6 | -68.7 | -129.2 | -9.8 | 0 | 0 | 112 | S2033 K2037 S2038 | S2033-Q2035 VanDerWaalsContact C-N 3.28Å; S2033-Q2035 PolarHBondContact O-N 3.05Å; S2033-Q2035 PolarHBondContact OG-N 3.18Å; S2033-Q2035 PolarHBondContact OG-O 3.1Å; Q2035-K2037 PolarHBondContact O-N 3.08Å; Q2035-K2037 VanDerWaalsContact O-N 3.16Å; Q2035-S2038 WeakPolarHBondContact CB-OG 3.37Å; Q2035-S2038 WeakPolarHBondContact O-CB 3.33Å; Q2035-S2038 PolarHBondContact O-N 3.11Å; Q2035-S2038 VanDerWaalsContact O-N 3.11Å; Q2035-S2038 PolarHBondContact O-OG 2.96Å; Q2035-S2038 VanDerWaalsContact O-OG 3.04Å; Q2035-S2038 PolarHBondContact OE1-OG 3.14Å; Q2035-S2038 VanDerWaalsContact OE1-OG 3.12Å | ||
| 2036 | P | 52.1 | Low | 50.5 | Low | 114 Ų | 114 | 125.4 Ų | 125.4 | 74% | 0.74 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 1.7 | 179.2 | 16.2 | -21.3 | 0 | 0 | 0 | 114.6 | S2033 Q2034 P2040 | S2033-P2036 WeakPolarHBondContact O-CD 3.26Å; Q2034-P2036 VanDerWaalsContact C-CD 3.49Å; Q2034-P2036 WeakPolarHBondContact O-CD 3.44Å; P2036-P2040 VanDerWaalsContact O-CD 3.27Å; P2036-P2040 WeakPolarHBondContact O-CD 3.31Å |
| 2037 | K | 53 | Low | 49.8 | Very low | 178 Ų | 178 | 122.3 Ų | 122.3 | 77% | 0.774 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -8.2 | -180 | -67.4 | -174.2 | 179.3 | 179.5 | 0 | 114.3 | Q2035 P2040 R2041 | Q2035-K2037 PolarHBondContact O-N 3.08Å; Q2035-K2037 VanDerWaalsContact O-N 3.16Å; K2037-P2040 WeakPolarHBondContact O-CD 3.2Å; K2037-R2041 WeakPolarHBondContact O-CB 3.32Å; K2037-R2041 PolarHBondContact O-N 3.06Å |
| 2038 | S | 51.4 | Low | 49.3 | Very low | 48 Ų | 48 | 121.4 Ų | 121.4 | 34% | 0.336 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -75.8 | -37.8 | -177.7 | 12.3 | 0 | 0 | 0 | 0 | 112.5 | Q2035 R2041 I2042 | Q2035-S2038 WeakPolarHBondContact CB-OG 3.37Å; Q2035-S2038 WeakPolarHBondContact O-CB 3.33Å; Q2035-S2038 PolarHBondContact O-N 3.11Å; Q2035-S2038 VanDerWaalsContact O-N 3.11Å; Q2035-S2038 PolarHBondContact O-OG 2.96Å; Q2035-S2038 VanDerWaalsContact O-OG 3.04Å; Q2035-S2038 PolarHBondContact OE1-OG 3.14Å; Q2035-S2038 VanDerWaalsContact OE1-OG 3.12Å; S2038-R2041 WeakPolarHBondContact O-CB 3.43Å; S2038-R2041 PolarHBondContact O-N 2.91Å; S2038-R2041 VanDerWaalsContact O-N 3.11Å; S2038-I2042 VanDerWaalsContact O-CG1 3.28Å; S2038-I2042 WeakPolarHBondContact O-CG1 3.33Å; S2038-I2042 PolarHBondContact O-N 2.85Å |
| 2039 | L | 53.7 | Low | 49.2 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 61% | 0.613 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -59 | -47.1 | -177.9 | -127 | 94 | 0 | 0 | 0 | 114 | R2041 I2042 M2043 | L2039-R2041 VanDerWaalsContact C-N 3.26Å; L2039-R2041 PolarHBondContact O-N 3Å; L2039-I2042 PolarHBondContact O-N 3.05Å; L2039-M2043 WeakPolarHBondContact O-CB 3.37Å; L2039-M2043 WeakPolarHBondContact O-CG 3.37Å; L2039-M2043 PolarHBondContact O-N 3.08Å; L2039-M2043 VanDerWaalsContact O-N 3.13Å |
| 2040 | P | 55.3 | Low | 48.9 | Very low | 82 Ų | 82 | 128.2 Ų | 128.2 | 53% | 0.532 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -62.4 | -31.3 | 176.1 | -22.2 | 32.9 | 0 | 0 | 0 | 113 | P2036 K2037 M2043 E2044 | P2036-P2040 VanDerWaalsContact O-CD 3.27Å; P2036-P2040 WeakPolarHBondContact O-CD 3.31Å; K2037-P2040 WeakPolarHBondContact O-CD 3.2Å; P2040-M2043 PolarHBondContact O-N 3.42Å; P2040-E2044 VanDerWaalsContact O-CB 3.26Å; P2040-E2044 WeakPolarHBondContact O-CB 3.26Å; P2040-E2044 PolarHBondContact O-N 2.93Å |
| 2041 | R | 56.4 | Low | 48.6 | Very low | 138.6 Ų | 138.6 | 128.7 Ų | 128.7 | 52% | 0.523 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -75.6 | -34.5 | 179.9 | -174.3 | 57.2 | 174.5 | 179 | 3.6 | 112.2 | K2037 S2038 L2039 E2044 L2045 | K2037-R2041 WeakPolarHBondContact O-CB 3.32Å; K2037-R2041 PolarHBondContact O-N 3.06Å; S2038-R2041 WeakPolarHBondContact O-CB 3.43Å; S2038-R2041 PolarHBondContact O-N 2.91Å; S2038-R2041 VanDerWaalsContact O-N 3.11Å; L2039-R2041 VanDerWaalsContact C-N 3.26Å; L2039-R2041 PolarHBondContact O-N 3Å; R2041-E2044 WeakPolarHBondContact CD-OE2 3.4Å; R2041-E2044 IonicContact CZ-OE2 3.27Å; R2041-E2044 IonicContact NE-OE2 3.85Å; R2041-E2044 IonicContact NH1-OE1 3.28Å; R2041-E2044 IonicContact NH1-OE2 3.69Å; R2041-E2044 PolarHBondContact NH1-OE2 2.93Å; R2041-E2044 PolarHBondContact O-N 3.19Å; R2041-L2045 HydrophobicContact CG-CD1 4.33Å; R2041-L2045 WeakPolarHBondContact O-CB 3.32Å; R2041-L2045 WeakPolarHBondContact O-CD1 3.29Å; R2041-L2045 VanDerWaalsContact O-CG 3.27Å; R2041-L2045 WeakPolarHBondContact O-CG 3.35Å; R2041-L2045 PolarHBondContact O-N 2.97Å; R2041-L2045 VanDerWaalsContact O-N 3.12Å |
| 2042 | I | 56.8 | Low | 48 | Very low | 82.4 Ų | 82.4 | 129.6 Ų | 129.6 | 42% | 0.423 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -65 | -47 | 172.6 | -66.7 | 164 | 0 | 0 | 0 | 109.4 | S2038 L2039 E2044 L2045 E2046 | S2038-I2042 VanDerWaalsContact O-CG1 3.28Å; S2038-I2042 WeakPolarHBondContact O-CG1 3.33Å; S2038-I2042 PolarHBondContact O-N 2.85Å; L2039-I2042 PolarHBondContact O-N 3.05Å; I2042-E2044 VanDerWaalsContact C-N 3.28Å; I2042-E2044 PolarHBondContact O-N 2.89Å; I2042-E2044 VanDerWaalsContact O-N 3.11Å; I2042-L2045 CarbonylContact O-C 3.51Å; I2042-L2045 PolarHBondContact O-N 3.08Å; I2042-L2045 VanDerWaalsContact O-N 3.09Å; I2042-E2046 VanDerWaalsContact CG2-CD 3.49Å; I2042-E2046 HydrophobicContact CG2-CG 4.3Å; I2042-E2046 VanDerWaalsContact CG2-OE1 3.26Å; I2042-E2046 WeakPolarHBondContact CG2-OE1 3.38Å; I2042-E2046 WeakPolarHBondContact O-CB 3.34Å; I2042-E2046 WeakPolarHBondContact O-CG 3.35Å; I2042-E2046 PolarHBondContact O-N 3.17Å |
| 2043 | M | 54.1 | Low | 47.7 | Very low | 127.8 Ų | 127.8 | 128 Ų | 128 | 63% | 0.63 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -62.2 | -29.7 | 175.4 | -67.2 | -179.6 | 74.2 | 0 | 0 | 113.7 | L2039 P2040 L2045 S2047 | L2039-M2043 WeakPolarHBondContact O-CB 3.37Å; L2039-M2043 WeakPolarHBondContact O-CG 3.37Å; L2039-M2043 PolarHBondContact O-N 3.08Å; L2039-M2043 VanDerWaalsContact O-N 3.13Å; P2040-M2043 PolarHBondContact O-N 3.42Å; M2043-L2045 VanDerWaalsContact C-N 3.33Å; M2043-S2047 VanDerWaalsContact O-CB 3.23Å; M2043-S2047 WeakPolarHBondContact O-CB 3.4Å; M2043-S2047 PolarHBondContact O-N 3.23Å; M2043-S2047 PolarHBondContact O-OG 3.06Å |
| 2044 | E | 57.8 | Low | 47.2 | Very low | 117 Ų | 117 | 132 Ų | 132 | 55% | 0.547 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -74.7 | -32.4 | 175.5 | -165.9 | 178.7 | -146.6 | 0 | 0 | 112 | P2040 R2041 I2042 E2046 S2047 | P2040-E2044 VanDerWaalsContact O-CB 3.26Å; P2040-E2044 WeakPolarHBondContact O-CB 3.26Å; P2040-E2044 PolarHBondContact O-N 2.93Å; R2041-E2044 WeakPolarHBondContact CD-OE2 3.4Å; R2041-E2044 IonicContact CZ-OE2 3.27Å; R2041-E2044 IonicContact NE-OE2 3.85Å; R2041-E2044 IonicContact NH1-OE1 3.28Å; R2041-E2044 IonicContact NH1-OE2 3.69Å; R2041-E2044 PolarHBondContact NH1-OE2 2.93Å; R2041-E2044 PolarHBondContact O-N 3.19Å; I2042-E2044 VanDerWaalsContact C-N 3.28Å; I2042-E2044 PolarHBondContact O-N 2.89Å; I2042-E2044 VanDerWaalsContact O-N 3.11Å; E2044-E2046 VanDerWaalsContact C-N 3.35Å; E2044-S2047 PolarHBondContact O-OG 2.88Å |
| 2045 | L | 50.1 | Low | 46.4 | Very low | 122.6 Ų | 122.6 | 128.5 Ų | 128.5 | 64% | 0.642 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -79.6 | -26.7 | 176.2 | -70.2 | 166.9 | 0 | 0 | 0 | 112.9 | R2041 I2042 M2043 S2047 | R2041-L2045 HydrophobicContact CG-CD1 4.33Å; R2041-L2045 WeakPolarHBondContact O-CB 3.32Å; R2041-L2045 WeakPolarHBondContact O-CD1 3.29Å; R2041-L2045 VanDerWaalsContact O-CG 3.27Å; R2041-L2045 WeakPolarHBondContact O-CG 3.35Å; R2041-L2045 PolarHBondContact O-N 2.97Å; R2041-L2045 VanDerWaalsContact O-N 3.12Å; I2042-L2045 CarbonylContact O-C 3.51Å; I2042-L2045 PolarHBondContact O-N 3.08Å; I2042-L2045 VanDerWaalsContact O-N 3.09Å; M2043-L2045 VanDerWaalsContact C-N 3.33Å; L2045-S2047 VanDerWaalsContact C-N 3.33Å; L2045-S2047 PolarHBondContact O-N 2.94Å |
| 2046 | E | 47.6 | Very low | 46.1 | Very low | 136.4 Ų | 136.4 | 126.4 Ų | 126.4 | 64% | 0.637 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -85.9 | -6.1 | 177.4 | -69.9 | 174 | 168.7 | 0 | 0 | 113.4 | I2042 E2044 L2048 | I2042-E2046 VanDerWaalsContact CG2-CD 3.49Å; I2042-E2046 HydrophobicContact CG2-CG 4.3Å; I2042-E2046 VanDerWaalsContact CG2-OE1 3.26Å; I2042-E2046 WeakPolarHBondContact CG2-OE1 3.38Å; I2042-E2046 WeakPolarHBondContact O-CB 3.34Å; I2042-E2046 WeakPolarHBondContact O-CG 3.35Å; I2042-E2046 PolarHBondContact O-N 3.17Å; E2044-E2046 VanDerWaalsContact C-N 3.35Å; E2046-L2048 PolarHBondContact O-N 3.1Å; E2046-L2048 VanDerWaalsContact O-N 3.11Å |
| 2047 | S | 44.8 | Very low | 45.8 | Very low | 78.6 Ų | 78.6 | 127 Ų | 127 | 55% | 0.55 | 69% | 0.692 | S | S | . | * | S | Bend | trans | -84.2 | 100.6 | 176.7 | 66 | 0 | 0 | 0 | 0 | 111.7 | M2043 E2044 L2045 K2049 | M2043-S2047 VanDerWaalsContact O-CB 3.23Å; M2043-S2047 WeakPolarHBondContact O-CB 3.4Å; M2043-S2047 PolarHBondContact O-N 3.23Å; M2043-S2047 PolarHBondContact O-OG 3.06Å; E2044-S2047 PolarHBondContact O-OG 2.88Å; L2045-S2047 VanDerWaalsContact C-N 3.33Å; L2045-S2047 PolarHBondContact O-N 2.94Å; S2047-K2049 PolarHBondContact O-N 2.99Å |
| 2048 | L | 38.5 | Very low | 45.6 | Very low | 168 Ų | 168 | 125.4 Ų | 125.4 | 88% | 0.88 | 69% | 0.692 | S | S | * | * | trans | -35.8 | 119.8 | 176.5 | -69.3 | 160.7 | 0 | 0 | 0 | 114 | E2046 E2050 | E2046-L2048 PolarHBondContact O-N 3.1Å; E2046-L2048 VanDerWaalsContact O-N 3.11Å; L2048-E2050 PolarHBondContact O-N 2.89Å | ||
| 2049 | K | 38.5 | Very low | 45.8 | Very low | 189.6 Ų | 189.6 | 128.2 Ų | 128.2 | 82% | 0.824 | 71% | 0.71 | S | S | * | * | trans | -77.7 | 126 | 163.6 | -138.1 | 178.9 | -178.4 | -169.2 | 0 | 111 | S2047 A2051 | S2047-K2049 PolarHBondContact O-N 2.99Å; K2049-A2051 PolarHBondContact O-N 2.79Å | ||
| 2050 | E | 33.7 | Very low | 46.3 | Very low | 184.2 Ų | 184.2 | 126.3 Ų | 126.3 | 86% | 0.861 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 134.5 | -178.3 | -92.3 | 167.6 | 155.4 | 0 | 0 | 109.9 | L2048 E2052 | L2048-E2050 PolarHBondContact O-N 2.89Å; E2050-E2052 PolarHBondContact O-N 2.74Å; E2050-E2052 VanDerWaalsContact O-N 3.15Å |
| 2051 | A | 35.6 | Very low | 47.3 | Very low | 101.6 Ų | 101.6 | 128.7 Ų | 128.7 | 84% | 0.84 | 71% | 0.708 | S | S | * | * | trans | -97.9 | 132 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K2049 | K2049-A2051 PolarHBondContact O-N 2.79Š| ||
| 2052 | E | 38 | Very low | 48.7 | Very low | 182.6 Ų | 182.6 | 125.7 Ų | 125.7 | 85% | 0.853 | 71% | 0.706 | S | S | * | * | trans | -72.2 | 151.9 | 178.2 | -66 | 179.3 | 151.8 | 0 | 0 | 112.4 | E2050 L2054 | E2050-E2052 PolarHBondContact O-N 2.74Å; E2050-E2052 VanDerWaalsContact O-N 3.15Å; E2052-L2054 PolarHBondContact O-N 3.19Å | ||
| 2053 | P | 37.3 | Very low | 50.3 | Low | 126.4 Ų | 126.4 | 122.1 Ų | 122.1 | 82% | 0.821 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 135.3 | -172.9 | 21.5 | -22.1 | 0 | 0 | 0 | 113.4 | A2055 | P2053-A2055 PolarHBondContact O-N 3.19Å; P2053-A2055 VanDerWaalsContact O-N 3.13Å |
| 2054 | L | 38.2 | Very low | 52 | Low | 177.2 Ų | 177.2 | 121.7 Ų | 121.7 | 93% | 0.928 | 68% | 0.683 | S | S | * | * | trans | -44.7 | 128.4 | 174.7 | -69.8 | 155.1 | 0 | 0 | 0 | 113.4 | E2052 | E2052-L2054 PolarHBondContact O-N 3.19Š| ||
| 2055 | A | 36.3 | Very low | 53.6 | Low | 94.4 Ų | 94.4 | 117.1 Ų | 117.1 | 78% | 0.78 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 160.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P2053 | P2053-A2055 PolarHBondContact O-N 3.19Å; P2053-A2055 VanDerWaalsContact O-N 3.13Å |
| 2056 | A | 38.5 | Very low | 55.2 | Low | 87.8 Ų | 87.8 | 114.7 Ų | 114.7 | 73% | 0.726 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 144.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N2058 | A2056-N2058 PolarHBondContact O-N 3.09Š|
| 2057 | P | 45.7 | Very low | 56.9 | Low | 126 Ų | 126 | 110.1 Ų | 110.1 | 82% | 0.818 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 138.8 | -175.9 | 26.3 | -33.9 | 0 | 0 | 0 | 112.1 | ||
| 2058 | N | 48.9 | Very low | 58.7 | Low | 145 Ų | 145 | 114.1 Ų | 114.1 | 78% | 0.775 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 148 | 173.5 | -73.3 | -27.6 | 0 | 0 | 0 | 110.6 | A2056 E2061 | A2056-N2058 PolarHBondContact O-N 3.09Å; N2058-E2061 PolarHBondContact ND2-OE1 3.34Å |
| 2059 | P | 56.9 | Low | 61.1 | Low | 107.6 Ų | 107.6 | 106.8 Ų | 106.8 | 70% | 0.699 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 145.8 | 175.2 | 26.2 | -33.5 | 0 | 0 | 0 | 111.1 | E2061 | P2059-E2061 PolarHBondContact O-N 3.36Š|
| 2060 | P | 62.5 | Low | 63.1 | Low | 75.6 Ų | 75.6 | 106 Ų | 106 | 49% | 0.491 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -61 | 138.3 | -176 | 19.5 | -27.7 | 0 | 0 | 0 | 111.9 | A2143 S2144 | P2060-A2143 HydrophobicContact CG-CB 4.35Å; P2060-S2144 WeakPolarHBondContact CG-OG 3.37Å; P2060-S2144 VanDerWaalsContact O-CB 3.26Å; P2060-S2144 WeakPolarHBondContact O-CB 3.35Å; P2060-S2144 PolarHBondContact O-OG 2.99Å |
| 2061 | E | 77 | Confident | 65.2 | Low | 134 Ų | 134 | 99.6 Ų | 99.6 | 63% | 0.626 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 147.7 | 177.9 | -65 | -171.8 | 173.3 | 0 | 0 | 111 | N2058 P2059 N2142 | N2058-E2061 PolarHBondContact ND2-OE1 3.34Å; P2059-E2061 PolarHBondContact O-N 3.36Å; E2061-N2142 PolarHBondContact O-ND2 3.01Å |
| 2062 | P | 86.9 | Confident | 66.9 | Low | 74.2 Ų | 74.2 | 97.8 Ų | 97.8 | 48% | 0.482 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -66 | 155.4 | 175.4 | 29.5 | -35.5 | 0 | 0 | 0 | 111.5 | ||
| 2063 | P | 90.1 | Very high | 68.5 | Low | 7.6 Ų | 7.6 | 96.5 Ų | 96.5 | 5% | 0.049 | 56% | 0.563 | C | S | . | * | P | Polyproline II helix | trans | -62.4 | 149.5 | -179.8 | 19.5 | -22.9 | 0 | 0 | 0 | 111 | L2087 I2088 M2095 A2140 N2142 G2145 D2147 | P2063-L2087 HydrophobicContact CB-CD1 4.13Å; P2063-L2087 HydrophobicContact CB-CD2 4.35Å; P2063-I2088 CarbonylContact C-O 3.51Å; P2063-I2088 VanDerWaalsContact CA-O 3.27Å; P2063-I2088 WeakPolarHBondContact CA-O 3.4Å; P2063-M2095 HydrophobicContact CB-CE 3.91Å; P2063-M2095 HydrophobicContact CB-SD 3.81Å; P2063-M2095 VanDerWaalsContact CB-SD 3.58Å; P2063-M2095 HydrophobicContact CG-CE 4.06Å; P2063-M2095 HydrophobicContact CG-SD 4.26Å; P2063-A2140 HydrophobicContact CB-CB 3.93Å; P2063-A2140 HydrophobicContact CG-CB 4.38Å; P2063-A2140 WeakPolarHBondContact CG-O 3.34Å; P2063-N2142 VanDerWaalsContact CD-CG 3.45Å; P2063-N2142 VanDerWaalsContact CD-OD1 3.28Å; P2063-N2142 WeakPolarHBondContact CD-OD1 3.28Å; P2063-N2142 HydrophobicContact CG-CB 4.09Å; P2063-G2145 WeakPolarHBondContact CD-O 3.35Å; P2063-D2147 HydrophobicContact CB-CB 4.35Å; P2063-D2147 HydrophobicContact CG-CB 4.23Å; P2063-D2147 VanDerWaalsContact O-CB 3.24Å; P2063-D2147 WeakPolarHBondContact O-CB 3.36Å |
| 2064 | K | 88.9 | Confident | 70.2 | Confident | 119.2 Ų | 119.2 | 96.2 Ų | 96.2 | 52% | 0.518 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -147.9 | 125.3 | 175.5 | -174.8 | -178.3 | 174.3 | -166.6 | 0 | 111 | L2087 I2088 D2147 | K2064-L2087 WeakPolarHBondContact O-CA 3.25Å; K2064-I2088 HydrophobicContact CB-CD1 4.45Å; K2064-I2088 HydrophobicContact CB-CG1 4.08Å; K2064-I2088 HydrophobicContact CD-CD1 4.26Å; K2064-I2088 PolarHBondContact N-O 2.96Å; K2064-I2088 WeakPolarHBondContact O-CG1 3.43Å; K2064-I2088 PolarHBondContact O-N 2.89Å; K2064-D2147 VanDerWaalsContact CA-OD2 3.32Å; K2064-D2147 WeakPolarHBondContact CA-OD2 3.38Å |
| 2065 | F | 91.5 | Very high | 72.2 | Confident | 20.2 Ų | 20.2 | 88.1 Ų | 88.1 | 9% | 0.089 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 136.7 | 172.1 | -71 | -84.7 | 0 | 0 | 0 | 111.4 | Q2086 L2087 C2121 C2138 A2140 D2147 L2149 | F2065-Q2086 CarbonylContact C-O 3.5Å; F2065-Q2086 VanDerWaalsContact CA-O 3.26Å; F2065-Q2086 WeakPolarHBondContact CA-O 3.29Å; F2065-L2087 HydrophobicContact CD1-CD1 3.98Å; F2065-L2087 HydrophobicContact CD1-CD2 3.92Å; F2065-L2087 HydrophobicContact CD1-CG 3.71Å; F2065-L2087 HydrophobicContact CD2-CD1 4.11Å; F2065-L2087 HydrophobicContact CD2-CD2 4.17Å; F2065-L2087 HydrophobicContact CE1-CD1 3.81Å; F2065-L2087 HydrophobicContact CE1-CD2 3.78Å; F2065-L2087 HydrophobicContact CE1-CG 3.6Å; F2065-L2087 HydrophobicContact CE2-CD1 4.04Å; F2065-L2087 HydrophobicContact CE2-CD2 4.01Å; F2065-L2087 HydrophobicContact CG-CD1 4.05Å; F2065-L2087 HydrophobicContact CG-CD2 4.13Å; F2065-L2087 HydrophobicContact CG-CG 4.36Å; F2065-L2087 HydrophobicContact CZ-CD1 3.95Å; F2065-L2087 HydrophobicContact CZ-CD2 3.82Å; F2065-L2087 HydrophobicContact CZ-CG 4.13Å; F2065-C2121 HydrophobicContact CE1-CB 4.19Å; F2065-C2121 VanDerWaalsContact CE1-SG 3.51Å; F2065-C2121 WeakPolarHBondContact CE1-SG 3.36Å; F2065-C2138 HydrophobicContact CE1-CB 4.39Å; F2065-C2138 HydrophobicContact CZ-CB 4.19Å; F2065-A2140 HydrophobicContact CE2-CB 3.91Å; F2065-A2140 HydrophobicContact CZ-CB 3.81Å; F2065-D2147 HydrophobicContact CD2-CB 4.16Å; F2065-D2147 WeakPolarHBondContact CD2-OD2 3.33Å; F2065-D2147 HydrophobicContact CE2-CB 4.3Å; F2065-D2147 PolarHBondContact N-OD2 3.11Å; F2065-L2149 HydrophobicContact CB-CB 4.24Å; F2065-L2149 HydrophobicContact CB-CD2 4.38Å; F2065-L2149 HydrophobicContact CD1-CB 4.03Å; F2065-L2149 HydrophobicContact CD1-CD2 4.16Å; F2065-L2149 HydrophobicContact CD2-CB 3.85Å; F2065-L2149 HydrophobicContact CE1-CB 4.3Å; F2065-L2149 HydrophobicContact CE2-CB 4.16Å; F2065-L2149 HydrophobicContact CG-CB 3.79Å; F2065-L2149 HydrophobicContact CG-CD2 4.34Å; F2065-L2149 HydrophobicContact CZ-CB 4.33Å |
| 2066 | L | 84.2 | Confident | 74.3 | Confident | 73.2 Ų | 73.2 | 90.2 Ų | 90.2 | 38% | 0.383 | 50% | 0.5 | S | S | . | . | trans | -105.9 | 20.2 | -177.4 | -69.2 | -177.1 | 0 | 0 | 0 | 112.5 | S2085 Q2086 I2088 | L2066-S2085 PolarHBondContact O-OG 2.64Å; L2066-S2085 VanDerWaalsContact O-OG 3.14Å; L2066-Q2086 HydrophobicContact CB-CB 3.94Å; L2066-Q2086 WeakPolarHBondContact CB-O 3.5Å; L2066-Q2086 HydrophobicContact CD1-CB 4.41Å; L2066-Q2086 PolarHBondContact N-O 3.03Å; L2066-Q2086 PolarHBondContact O-N 3.4Å; L2066-Q2086 VanDerWaalsContact O-N 3.11Å; L2066-I2088 HydrophobicContact CD1-CB 4.25Å; L2066-I2088 HydrophobicContact CD1-CD1 3.93Å; L2066-I2088 HydrophobicContact CD1-CG1 3.95Å; L2066-I2088 HydrophobicContact CD1-CG2 3.6Å; L2066-I2088 VanDerWaalsContact CD1-CG2 3.47Å; L2066-I2088 HydrophobicContact CD2-CD1 3.96Å; L2066-I2088 HydrophobicContact CD2-CG1 4.27Å; L2066-I2088 HydrophobicContact CG-CD1 4.16Å; L2066-I2088 HydrophobicContact CG-CG1 4.03Å; L2066-I2088 HydrophobicContact CG-CG2 4.42Å | ||
| 2067 | G | 82.1 | Confident | 76.2 | Confident | 38.2 Ų | 38.2 | 90.5 Ų | 90.5 | 39% | 0.394 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -167.2 | 174.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S2085 L2149 | G2067-S2085 VanDerWaalsContact C-OG 3.27Å; G2067-S2085 WeakPolarHBondContact CA-OG 3.39Å; G2067-S2085 PolarHBondContact N-OG 2.91Å; G2067-S2085 PolarHBondContact O-OG 2.86Å; G2067-L2149 VanDerWaalsContact O-CD2 3.23Å; G2067-L2149 WeakPolarHBondContact O-CD2 3.32Å |
| 2068 | Q | 83.9 | Confident | 77.7 | Confident | 163.4 Ų | 163.4 | 86.8 Ų | 86.8 | 76% | 0.764 | 47% | 0.471 | S | S | * | . | trans | -113 | 155.8 | 166.4 | -65.4 | -174.4 | -4.3 | 0 | 0 | 108.9 | E2070 L2149 | Q2068-E2070 PolarHBondContact O-N 2.95Å; Q2068-L2149 HydrophobicContact CB-CD1 4.43Å; Q2068-L2149 HydrophobicContact CG-CD1 4.29Å | ||
| 2069 | F | 88.3 | Confident | 79.3 | Confident | 15.2 Ų | 15.2 | 82.6 Ų | 82.6 | 7% | 0.067 | 45% | 0.449 | C | S | . | . | trans | -72.2 | 125.9 | 173.5 | -61.2 | -53.7 | 0 | 0 | 0 | 110.2 | L2083 E2084 W2099 C2138 L2149 V2151 | F2069-L2083 HydrophobicContact CB-CB 4.49Å; F2069-L2083 HydrophobicContact CB-CD2 4.23Å; F2069-L2083 HydrophobicContact CD1-CB 3.81Å; F2069-L2083 HydrophobicContact CE1-CB 4.21Å; F2069-L2083 HydrophobicContact CG-CB 4.2Å; F2069-E2084 VanDerWaalsContact CD1-O 3.28Å; F2069-E2084 WeakPolarHBondContact CD1-O 3.31Å; F2069-W2099 HydrophobicContact CD1-CH2 4.49Å; F2069-W2099 AromaticContact CE1-CH2 3.63Å; F2069-W2099 HydrophobicContact CE1-CH2 3.63Å; F2069-W2099 HydrophobicContact CE1-CZ2 4.28Å; F2069-W2099 HydrophobicContact CE1-CZ3 4.47Å; F2069-W2099 AromaticContact CE2-CH2 3.79Å; F2069-W2099 HydrophobicContact CE2-CH2 3.79Å; F2069-W2099 AromaticContact CE2-CZ3 3.91Å; F2069-W2099 HydrophobicContact CE2-CZ3 3.94Å; F2069-W2099 AromaticContact CZ-CH2 3.21Å; F2069-W2099 HydrophobicContact CZ-CH2 3.21Å; F2069-W2099 AromaticContact CZ-CZ2 3.92Å; F2069-W2099 HydrophobicContact CZ-CZ2 3.95Å; F2069-W2099 AromaticContact CZ-CZ3 3.83Å; F2069-W2099 HydrophobicContact CZ-CZ3 3.83Å; F2069-C2138 HydrophobicContact CE2-CB 4.01Å; F2069-C2138 HydrophobicContact CZ-CB 3.66Å; F2069-L2149 HydrophobicContact CD1-CD2 4.07Å; F2069-L2149 HydrophobicContact CD2-CD2 3.82Å; F2069-L2149 HydrophobicContact CD2-CG 3.79Å; F2069-L2149 HydrophobicContact CE1-CD2 3.89Å; F2069-L2149 HydrophobicContact CE2-CB 3.94Å; F2069-L2149 HydrophobicContact CE2-CD2 3.64Å; F2069-L2149 HydrophobicContact CE2-CG 3.6Å; F2069-L2149 HydrophobicContact CG-CD2 4.04Å; F2069-L2149 HydrophobicContact CG-CG 4.39Å; F2069-L2149 HydrophobicContact CZ-CB 4.29Å; F2069-L2149 HydrophobicContact CZ-CD2 3.66Å; F2069-L2149 HydrophobicContact CZ-CG 4.1Å; F2069-V2151 HydrophobicContact CB-CB 3.89Å; F2069-V2151 HydrophobicContact CB-CG1 3.92Å; F2069-V2151 HydrophobicContact CB-CG2 4.09Å; F2069-V2151 HydrophobicContact CD2-CB 3.9Å; F2069-V2151 HydrophobicContact CD2-CG1 3.7Å; F2069-V2151 HydrophobicContact CG-CB 4.36Å; F2069-V2151 HydrophobicContact CG-CG1 4.14Å | ||
| 2070 | E | 80 | Confident | 80.7 | Confident | 173.2 Ų | 173.2 | 81.9 Ų | 81.9 | 81% | 0.809 | 44% | 0.442 | S | S | * | . | trans | -91.9 | 132.3 | 173.5 | -61.5 | -168.8 | 169.7 | 0 | 0 | 110.2 | Q2068 | Q2068-E2070 PolarHBondContact O-N 2.95Š| ||
| 2071 | I | 78.4 | Confident | 81.9 | Confident | 48.8 Ų | 48.8 | 78.6 Ų | 78.6 | 25% | 0.25 | 42% | 0.421 | S | S | . | . | trans | -128.7 | 140.8 | 177.4 | -60.6 | -172.5 | 0 | 0 | 0 | 108.7 | L2075 L2083 V2151 L2153 | I2071-L2075 HydrophobicContact CG2-CD1 3.55Å; I2071-L2075 VanDerWaalsContact CG2-CD1 3.44Å; I2071-L2075 HydrophobicContact CG2-CG 4.38Å; I2071-L2083 HydrophobicContact CD1-CD2 3.8Å; I2071-L2083 HydrophobicContact CG1-CD2 3.62Å; I2071-V2151 HydrophobicContact CD1-CB 4.22Å; I2071-V2151 HydrophobicContact CD1-CG1 3.88Å; I2071-V2151 HydrophobicContact CD1-CG2 3.34Å; I2071-V2151 VanDerWaalsContact CD1-CG2 3.46Å; I2071-V2151 HydrophobicContact CG1-CG2 3.84Å; I2071-L2153 HydrophobicContact CD1-CB 4.26Å | ||
| 2072 | A | 71.5 | Confident | 82.6 | Confident | 64 Ų | 64 | 76 Ų | 76 | 53% | 0.529 | 41% | 0.409 | S | S | . | . | trans | -68.2 | 134.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | N2074 | A2072-N2074 PolarHBondContact O-N 2.97Å; A2072-N2074 VanDerWaalsContact O-N 3.08Å | ||
| 2073 | D | 71 | Confident | 82.8 | Confident | 155.6 Ų | 155.6 | 72.5 Ų | 72.5 | 83% | 0.832 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 23.7 | -179.3 | -72 | -38.4 | 0 | 0 | 0 | 113.6 | ||
| 2074 | N | 74 | Confident | 82.8 | Confident | 119.4 Ų | 119.4 | 76.9 Ų | 76.9 | 64% | 0.639 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -175 | 52.1 | -173.8 | -63.6 | -63.3 | 0 | 0 | 0 | 115 | A2072 R2076 | A2072-N2074 PolarHBondContact O-N 2.97Å; A2072-N2074 VanDerWaalsContact O-N 3.08Å; N2074-R2076 PolarHBondContact O-N 3.06Å |
| 2075 | L | 78.9 | Confident | 82.9 | Confident | 8.2 Ų | 8.2 | 71.5 Ų | 71.5 | 4% | 0.043 | 38% | 0.383 | C | S | . | . | trans | -58 | 131.8 | 172.2 | -75.7 | 164.2 | 0 | 0 | 0 | 112.6 | I2071 D2079 V2081 L2153 C2155 N2156 | I2071-L2075 HydrophobicContact CG2-CD1 3.55Å; I2071-L2075 VanDerWaalsContact CG2-CD1 3.44Å; I2071-L2075 HydrophobicContact CG2-CG 4.38Å; L2075-D2079 HydrophobicContact CD2-CB 3.94Å; L2075-V2081 HydrophobicContact CD1-CG2 3.59Å; L2075-V2081 HydrophobicContact CD2-CG2 3.3Å; L2075-V2081 HydrophobicContact CG-CG2 4.09Å; L2075-L2153 HydrophobicContact CD1-CD1 4.22Å; L2075-L2153 HydrophobicContact CD1-CD2 4.18Å; L2075-L2153 HydrophobicContact CD1-CG 3.77Å; L2075-C2155 CarbonylContact O-C 3.48Å; L2075-C2155 WeakPolarHBondContact O-CA 3.24Å; L2075-N2156 WeakPolarHBondContact O-CB 3.42Å; L2075-N2156 PolarHBondContact O-N 2.89Å | ||
| 2076 | R | 80.4 | Confident | 82.7 | Confident | 138.8 Ų | 138.8 | 74.4 Ų | 74.4 | 52% | 0.524 | 40% | 0.397 | S | S | . | . | B | Isolated β-bridge | trans | -109.6 | 162 | 175.7 | -64.3 | 178 | 175.5 | -163.7 | -3.9 | 110.6 | N2074 G2078 D2079 C2155 E2158 | N2074-R2076 PolarHBondContact O-N 3.06Å; R2076-G2078 PolarHBondContact O-N 3.21Å; R2076-D2079 PolarHBondContact N-OD2 3.01Å; R2076-D2079 WeakPolarHBondContact O-CB 3.29Å; R2076-D2079 PolarHBondContact O-N 3.3Å; R2076-D2079 VanDerWaalsContact O-N 3.1Å; R2076-C2155 VanDerWaalsContact C-SG 3.57Å; R2076-C2155 PolarHBondContact O-SG 3.02Å; R2076-C2155 VanDerWaalsContact O-SG 3.33Å; R2076-E2158 IonicContact CZ-OE1 3.34Å; R2076-E2158 IonicContact CZ-OE2 2.81Å; R2076-E2158 IonicContact NE-OE1 3.79Å; R2076-E2158 IonicContact NH1-OE1 3.05Å; R2076-E2158 PolarHBondContact NH1-OE1 3.27Å; R2076-E2158 IonicContact NH1-OE2 3.22Å; R2076-E2158 PolarHBondContact NH1-OE2 2.91Å; R2076-E2158 IonicContact NH2-OE1 2.94Å; R2076-E2158 PolarHBondContact NH2-OE1 3.19Å; R2076-E2158 IonicContact NH2-OE2 2.65Å |
| 2077 | E | 78.8 | Confident | 82.9 | Confident | 92.6 Ų | 92.6 | 70.9 Ų | 70.9 | 43% | 0.433 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 127.3 | 174.9 | -104 | 178.7 | 159.9 | 0 | 0 | 110.3 | V2128 A2130 C2155 I2161 | E2077-V2128 CarbonylContact C-O 3.53Å; E2077-V2128 VanDerWaalsContact CA-O 3.29Å; E2077-V2128 WeakPolarHBondContact CA-O 3.33Å; E2077-A2130 HydrophobicContact CG-CB 4.46Å; E2077-A2130 VanDerWaalsContact OE1-CB 3.26Å; E2077-A2130 WeakPolarHBondContact OE1-CB 3.38Å; E2077-A2130 PolarHBondContact OE1-N 3.09Å; E2077-A2130 VanDerWaalsContact OE1-N 3.08Å; E2077-C2155 VanDerWaalsContact CG-SG 3.58Å; E2077-C2155 PolarHBondContact N-SG 3.03Å; E2077-C2155 VanDerWaalsContact N-SG 3.41Å; E2077-I2161 HydrophobicContact CG-CD1 4.24Å |
| 2078 | G | 77.4 | Confident | 83.1 | Confident | 48 Ų | 48 | 72 Ų | 72 | 50% | 0.495 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.4 | -16.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115 | R2076 G2127 V2128 | R2076-G2078 PolarHBondContact O-N 3.21Å; G2078-G2127 WeakPolarHBondContact O-CA 2.73Å; G2078-V2128 PolarHBondContact N-O 3.2Å |
| 2079 | D | 82.3 | Confident | 83.1 | Confident | 58.4 Ų | 58.4 | 65.9 Ų | 65.9 | 31% | 0.312 | 35% | 0.35 | S | S | . | . | trans | -63.3 | 158.1 | 178.1 | -70.2 | -13.6 | 0 | 0 | 0 | 111.6 | L2075 R2076 G2127 V2128 | L2075-D2079 HydrophobicContact CD2-CB 3.94Å; R2076-D2079 PolarHBondContact N-OD2 3.01Å; R2076-D2079 WeakPolarHBondContact O-CB 3.29Å; R2076-D2079 PolarHBondContact O-N 3.3Å; R2076-D2079 VanDerWaalsContact O-N 3.1Å; D2079-G2127 CarbonylContact O-C 3.54Å; D2079-G2127 WeakPolarHBondContact O-CA 3.25Å; D2079-G2127 PolarHBondContact O-N 3.04Å; D2079-V2128 WeakPolarHBondContact O-CB 3.41Å; D2079-V2128 VanDerWaalsContact O-CG2 3.28Å; D2079-V2128 WeakPolarHBondContact O-CG2 3.34Å; D2079-V2128 PolarHBondContact O-N 3.26Å | ||
| 2080 | T | 85.8 | Confident | 82.6 | Confident | 92 Ų | 92 | 68.4 Ų | 68.4 | 56% | 0.564 | 37% | 0.366 | S | S | * | . | trans | -105.6 | 134.5 | 173.1 | -18.7 | 0 | 0 | 0 | 0 | 109.8 | I2125 M2126 | T2080-I2125 CarbonylContact C-O 3.55Å; T2080-I2125 VanDerWaalsContact CA-O 3.32Å; T2080-I2125 WeakPolarHBondContact CA-O 3.28Å; T2080-I2125 WeakPolarHBondContact CG2-O 3.4Å; T2080-M2126 HydrophobicContact CG2-CB 4.49Å; T2080-M2126 HydrophobicContact CG2-CG 4.14Å | ||
| 2081 | V | 89.1 | Confident | 82.2 | Confident | 6.4 Ų | 6.4 | 68.2 Ų | 68.2 | 4% | 0.039 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 129.9 | 179.4 | 169.3 | 0 | 0 | 0 | 0 | 110.2 | L2075 L2083 D2124 I2125 V2128 L2153 | L2075-V2081 HydrophobicContact CD1-CG2 3.59Å; L2075-V2081 HydrophobicContact CD2-CG2 3.3Å; L2075-V2081 HydrophobicContact CG-CG2 4.09Å; V2081-L2083 HydrophobicContact CG1-CD2 3.62Å; V2081-L2083 HydrophobicContact CG1-CG 3.9Å; V2081-D2124 CarbonylContact O-C 3.54Å; V2081-D2124 WeakPolarHBondContact O-CA 3.37Å; V2081-I2125 HydrophobicContact CB-CB 4.24Å; V2081-I2125 HydrophobicContact CB-CD1 4.4Å; V2081-I2125 HydrophobicContact CB-CG1 4.47Å; V2081-I2125 HydrophobicContact CG1-CD1 4.41Å; V2081-I2125 PolarHBondContact N-O 3.08Å; V2081-I2125 PolarHBondContact O-N 2.95Å; V2081-V2128 HydrophobicContact CB-CG2 4.17Å; V2081-V2128 HydrophobicContact CG2-CG2 3.73Å; V2081-L2153 HydrophobicContact CB-CD1 4.22Å; V2081-L2153 HydrophobicContact CG1-CD1 3.94Å; V2081-L2153 HydrophobicContact CG2-CD1 4Å |
| 2082 | H | 90.8 | Very high | 82.2 | Confident | 80 Ų | 80 | 67.1 Ų | 67.1 | 37% | 0.37 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 120.4 | 175.7 | -175.8 | 81.3 | 0 | 0 | 0 | 109 | E2084 V2122 D2124 | H2082-E2084 IonicContact NE2-OE2 3.16Å; H2082-V2122 WeakPolarHBondContact CE1-CG1 3.28Å; H2082-D2124 WeakPolarHBondContact CB-OD1 3.29Å; H2082-D2124 IonicContact CE1-OD1 3.3Å; H2082-D2124 IonicContact CG-OD1 3.35Å; H2082-D2124 IonicContact ND1-OD1 3.06Å; H2082-D2124 PolarHBondContact ND1-OD1 3.05Å; H2082-D2124 IonicContact ND1-OD2 3.18Å |
| 2083 | L | 90.5 | Very high | 82.4 | Confident | 0.2 Ų | 0.2 | 68.7 Ų | 68.7 | 0% | 0.001 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 107.7 | 178.3 | -55.1 | 179.5 | 0 | 0 | 0 | 109.4 | F2069 I2071 V2081 W2099 V2122 L2123 I2125 Y2136 V2151 | F2069-L2083 HydrophobicContact CB-CB 4.49Å; F2069-L2083 HydrophobicContact CB-CD2 4.23Å; F2069-L2083 HydrophobicContact CD1-CB 3.81Å; F2069-L2083 HydrophobicContact CE1-CB 4.21Å; F2069-L2083 HydrophobicContact CG-CB 4.2Å; I2071-L2083 HydrophobicContact CD1-CD2 3.8Å; I2071-L2083 HydrophobicContact CG1-CD2 3.62Å; V2081-L2083 HydrophobicContact CG1-CD2 3.62Å; V2081-L2083 HydrophobicContact CG1-CG 3.9Å; L2083-W2099 HydrophobicContact CB-CH2 4.06Å; L2083-W2099 HydrophobicContact CD1-CH2 4.34Å; L2083-W2099 HydrophobicContact CD1-CZ3 4.15Å; L2083-V2122 CarbonylContact O-C 3.53Å; L2083-V2122 VanDerWaalsContact O-CA 3.24Å; L2083-V2122 WeakPolarHBondContact O-CA 3.37Å; L2083-L2123 HydrophobicContact CB-CB 4.4Å; L2083-L2123 HydrophobicContact CD1-CD2 4.35Å; L2083-L2123 PolarHBondContact N-O 3.01Å; L2083-L2123 PolarHBondContact O-N 2.97Å; L2083-I2125 HydrophobicContact CD1-CD1 4.34Å; L2083-Y2136 HydrophobicContact CD1-CG 4.32Å; L2083-V2151 HydrophobicContact CD1-CG1 3.93Å; L2083-V2151 HydrophobicContact CD2-CG1 4.2Å |
| 2084 | E | 90.8 | Very high | 82.9 | Confident | 99.8 Ų | 99.8 | 64.4 Ų | 64.4 | 47% | 0.466 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 145.1 | 179.1 | 104.3 | 174.4 | -166.8 | 0 | 0 | 112.8 | F2069 H2082 F2120 C2121 V2122 | F2069-E2084 VanDerWaalsContact CD1-O 3.28Å; F2069-E2084 WeakPolarHBondContact CD1-O 3.31Å; H2082-E2084 IonicContact NE2-OE2 3.16Å; E2084-F2120 HydrophobicContact CG-CD1 4.38Å; E2084-F2120 WeakPolarHBondContact OE1-CD1 3.34Å; E2084-F2120 VanDerWaalsContact OE1-CE1 3.28Å; E2084-F2120 WeakPolarHBondContact OE1-CE1 3.32Å; E2084-C2121 CarbonylContact C-O 3.53Å; E2084-C2121 WeakPolarHBondContact CA-O 3.42Å; E2084-V2122 HydrophobicContact CB-CG2 4.15Å; E2084-V2122 HydrophobicContact CG-CG2 4.25Å |
| 2085 | S | 91.2 | Very high | 83.5 | Confident | 6.4 Ų | 6.4 | 59.7 Ų | 59.7 | 5% | 0.045 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 155.5 | 165.8 | -171.1 | 0 | 0 | 0 | 0 | 111.1 | L2066 G2067 F2120 C2121 L2149 | L2066-S2085 PolarHBondContact O-OG 2.64Å; L2066-S2085 VanDerWaalsContact O-OG 3.14Å; G2067-S2085 VanDerWaalsContact C-OG 3.27Å; G2067-S2085 WeakPolarHBondContact CA-OG 3.39Å; G2067-S2085 PolarHBondContact N-OG 2.91Å; G2067-S2085 PolarHBondContact O-OG 2.86Å; S2085-F2120 WeakPolarHBondContact O-CA 3.3Å; S2085-C2121 PolarHBondContact N-O 3.25Å; S2085-C2121 PolarHBondContact O-N 2.94Å; S2085-C2121 PolarHBondContact O-SG 2.89Å; S2085-C2121 VanDerWaalsContact O-SG 3.33Å; S2085-L2149 VanDerWaalsContact OG-CD2 3.22Å; S2085-L2149 WeakPolarHBondContact OG-CD2 3.35Å |
| 2086 | Q | 88.1 | Confident | 83.8 | Confident | 79.6 Ų | 79.6 | 64.8 Ų | 64.8 | 37% | 0.372 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 152.9 | 174.8 | -74.3 | 172.7 | -0.2 | 0 | 0 | 111.5 | F2065 L2066 G2119 F2120 | F2065-Q2086 CarbonylContact C-O 3.5Å; F2065-Q2086 VanDerWaalsContact CA-O 3.26Å; F2065-Q2086 WeakPolarHBondContact CA-O 3.29Å; L2066-Q2086 HydrophobicContact CB-CB 3.94Å; L2066-Q2086 WeakPolarHBondContact CB-O 3.5Å; L2066-Q2086 HydrophobicContact CD1-CB 4.41Å; L2066-Q2086 PolarHBondContact N-O 3.03Å; L2066-Q2086 PolarHBondContact O-N 3.4Å; L2066-Q2086 VanDerWaalsContact O-N 3.11Å; Q2086-G2119 CarbonylContact C-O 3.52Å; Q2086-G2119 VanDerWaalsContact CA-O 3.27Å; Q2086-G2119 WeakPolarHBondContact CA-O 3.27Å; Q2086-F2120 HydrophobicContact CG-CD1 3.74Å; Q2086-F2120 HydrophobicContact CG-CE1 3.55Å; Q2086-F2120 VanDerWaalsContact CG-CE1 3.41Å; Q2086-F2120 HydrophobicContact CG-CG 4.37Å; Q2086-F2120 HydrophobicContact CG-CZ 4.01Å; Q2086-F2120 VanDerWaalsContact NE2-CE1 3.28Å; Q2086-F2120 VanDerWaalsContact NE2-CZ 3.33Å |
| 2087 | L | 87.9 | Confident | 84.3 | Confident | 1.6 Ų | 1.6 | 59.9 Ų | 59.9 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 129.6 | -175.1 | -160.7 | 89 | 0 | 0 | 0 | 109.6 | P2063 K2064 F2065 M2095 V2097 Y2116 G2119 C2121 A2140 | P2063-L2087 HydrophobicContact CB-CD1 4.13Å; P2063-L2087 HydrophobicContact CB-CD2 4.35Å; K2064-L2087 WeakPolarHBondContact O-CA 3.25Å; F2065-L2087 HydrophobicContact CD1-CD1 3.98Å; F2065-L2087 HydrophobicContact CD1-CD2 3.92Å; F2065-L2087 HydrophobicContact CD1-CG 3.71Å; F2065-L2087 HydrophobicContact CD2-CD1 4.11Å; F2065-L2087 HydrophobicContact CD2-CD2 4.17Å; F2065-L2087 HydrophobicContact CE1-CD1 3.81Å; F2065-L2087 HydrophobicContact CE1-CD2 3.78Å; F2065-L2087 HydrophobicContact CE1-CG 3.6Å; F2065-L2087 HydrophobicContact CE2-CD1 4.04Å; F2065-L2087 HydrophobicContact CE2-CD2 4.01Å; F2065-L2087 HydrophobicContact CG-CD1 4.05Å; F2065-L2087 HydrophobicContact CG-CD2 4.13Å; F2065-L2087 HydrophobicContact CG-CG 4.36Å; F2065-L2087 HydrophobicContact CZ-CD1 3.95Å; F2065-L2087 HydrophobicContact CZ-CD2 3.82Å; F2065-L2087 HydrophobicContact CZ-CG 4.13Å; L2087-M2095 HydrophobicContact CD2-CE 4.18Å; L2087-M2095 HydrophobicContact CD2-CG 3.96Å; L2087-M2095 HydrophobicContact CD2-SD 3.84Å; L2087-V2097 HydrophobicContact CD1-CG2 3.93Å; L2087-V2097 HydrophobicContact CD2-CG2 4.11Å; L2087-Y2116 HydrophobicContact CD1-CD2 4.47Å; L2087-Y2116 HydrophobicContact CD1-CE2 4.29Å; L2087-Y2116 HydrophobicContact CD2-CE2 3.93Å; L2087-G2119 WeakPolarHBondContact CA-O 3.34Å; L2087-G2119 VanDerWaalsContact CB-O 3.26Å; L2087-G2119 WeakPolarHBondContact CB-O 3.29Å; L2087-G2119 PolarHBondContact N-O 3.01Å; L2087-G2119 WeakPolarHBondContact O-CA 3.21Å; L2087-C2121 HydrophobicContact CD1-CB 3.82Å; L2087-A2140 HydrophobicContact CD1-CB 3.57Å; L2087-A2140 VanDerWaalsContact CD1-CB 3.45Å; L2087-A2140 HydrophobicContact CD2-CB 3.57Å; L2087-A2140 HydrophobicContact CG-CB 4.21Å |
| 2088 | I | 85.5 | Confident | 84.9 | Confident | 61.2 Ų | 61.2 | 59.9 Ų | 59.9 | 31% | 0.314 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 151.5 | 170.9 | 39.6 | 173 | 0 | 0 | 0 | 110.1 | P2063 K2064 L2066 V2090 | P2063-I2088 CarbonylContact C-O 3.51Å; P2063-I2088 VanDerWaalsContact CA-O 3.27Å; P2063-I2088 WeakPolarHBondContact CA-O 3.4Å; K2064-I2088 HydrophobicContact CB-CD1 4.45Å; K2064-I2088 HydrophobicContact CB-CG1 4.08Å; K2064-I2088 HydrophobicContact CD-CD1 4.26Å; K2064-I2088 PolarHBondContact N-O 2.96Å; K2064-I2088 WeakPolarHBondContact O-CG1 3.43Å; K2064-I2088 PolarHBondContact O-N 2.89Å; L2066-I2088 HydrophobicContact CD1-CB 4.25Å; L2066-I2088 HydrophobicContact CD1-CD1 3.93Å; L2066-I2088 HydrophobicContact CD1-CG1 3.95Å; L2066-I2088 HydrophobicContact CD1-CG2 3.6Å; L2066-I2088 VanDerWaalsContact CD1-CG2 3.47Å; L2066-I2088 HydrophobicContact CD2-CD1 3.96Å; L2066-I2088 HydrophobicContact CD2-CG1 4.27Å; L2066-I2088 HydrophobicContact CG-CD1 4.16Å; L2066-I2088 HydrophobicContact CG-CG1 4.03Å; L2066-I2088 HydrophobicContact CG-CG2 4.42Å; I2088-V2090 HydrophobicContact CG1-CG2 4.35Å; I2088-V2090 HydrophobicContact CG2-CG2 4.27Å |
| 2089 | P | 85 | Confident | 85.6 | Confident | 35.2 Ų | 35.2 | 58.1 Ų | 58.1 | 23% | 0.229 | 31% | 0.312 | C | S | . | . | S | Bend | cis | -69.9 | 144.3 | -3.8 | 28.6 | -34.8 | 0 | 0 | 0 | 113.4 | D2092 M2095 | P2089-D2092 HydrophobicContact CG-CB 4.05Å; P2089-M2095 HydrophobicContact CG-CE 4.29Å |
| 2090 | V | 77.9 | Confident | 86 | Confident | 67 Ų | 67 | 57 Ų | 57 | 41% | 0.406 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 146.2 | 172.1 | -169 | 0 | 0 | 0 | 0 | 108.7 | I2088 D2092 F2118 | I2088-V2090 HydrophobicContact CG1-CG2 4.35Å; I2088-V2090 HydrophobicContact CG2-CG2 4.27Å; V2090-D2092 VanDerWaalsContact C-N 3.29Å; V2090-D2092 PolarHBondContact O-N 2.77Å; V2090-F2118 WeakPolarHBondContact CG1-O 3.33Å |
| 2091 | E | 71.6 | Confident | 86.3 | Confident | 169.6 Ų | 169.6 | 54.7 Ų | 54.7 | 79% | 0.793 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 16.4 | -177.9 | -50 | -172.8 | 165.6 | 0 | 0 | 116.5 | A2093 | E2091-A2093 PolarHBondContact O-N 2.92Å; E2091-A2093 VanDerWaalsContact O-N 3.16Å |
| 2092 | D | 77.4 | Confident | 86.3 | Confident | 25.6 Ų | 25.6 | 58.6 Ų | 58.6 | 14% | 0.137 | 31% | 0.308 | C | S | . | . | trans | -78 | 107.5 | 172.7 | -173.8 | -19 | 0 | 0 | 0 | 111.5 | P2089 V2090 T2094 M2095 N2142 | P2089-D2092 HydrophobicContact CG-CB 4.05Å; V2090-D2092 VanDerWaalsContact C-N 3.29Å; V2090-D2092 PolarHBondContact O-N 2.77Å; D2092-T2094 PolarHBondContact O-N 3.06Å; D2092-T2094 VanDerWaalsContact O-N 3.08Å; D2092-T2094 WeakPolarHBondContact OD1-CA 3.32Å; D2092-T2094 WeakPolarHBondContact OD1-CB 3.32Å; D2092-T2094 PolarHBondContact OD1-N 3Å; D2092-T2094 PolarHBondContact OD1-OG1 3.08Å; D2092-T2094 PolarHBondContact OD2-OG1 2.83Å; D2092-M2095 HydrophobicContact CB-CB 4.37Å; D2092-M2095 HydrophobicContact CB-CE 4.17Å; D2092-M2095 VanDerWaalsContact O-CB 3.3Å; D2092-M2095 WeakPolarHBondContact O-CB 3.32Å; D2092-M2095 PolarHBondContact O-N 3.01Å; D2092-N2142 VanDerWaalsContact OD2-CB 3.25Å; D2092-N2142 WeakPolarHBondContact OD2-CB 3.35Å; D2092-N2142 VanDerWaalsContact OD2-CG 3.32Å; D2092-N2142 PolarHBondContact OD2-ND2 3.19Å | ||
| 2093 | A | 75.8 | Confident | 86 | Confident | 96.8 Ų | 96.8 | 57.4 Ų | 57.4 | 80% | 0.8 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -11.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E2091 | E2091-A2093 PolarHBondContact O-N 2.92Å; E2091-A2093 VanDerWaalsContact O-N 3.16Å |
| 2094 | T | 81.6 | Confident | 85.8 | Confident | 66.6 Ų | 66.6 | 66.7 Ų | 66.7 | 41% | 0.409 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -1.7 | 175.6 | 70.5 | 0 | 0 | 0 | 0 | 113.5 | D2092 K2096 A2143 | D2092-T2094 PolarHBondContact O-N 3.06Å; D2092-T2094 VanDerWaalsContact O-N 3.08Å; D2092-T2094 WeakPolarHBondContact OD1-CA 3.32Å; D2092-T2094 WeakPolarHBondContact OD1-CB 3.32Å; D2092-T2094 PolarHBondContact OD1-N 3Å; D2092-T2094 PolarHBondContact OD1-OG1 3.08Å; D2092-T2094 PolarHBondContact OD2-OG1 2.83Å; T2094-K2096 PolarHBondContact O-N 3.25Å; T2094-A2143 HydrophobicContact CG2-CB 4.08Å; T2094-A2143 WeakPolarHBondContact OG1-CB 3.35Å; T2094-A2143 PolarHBondContact OG1-N 2.92Å; T2094-A2143 VanDerWaalsContact OG1-N 3.1Å |
| 2095 | M | 86.2 | Confident | 85.6 | Confident | 19 Ų | 19 | 66.9 Ų | 66.9 | 9% | 0.094 | 36% | 0.363 | C | S | . | . | trans | -68.7 | 131.1 | -178.2 | -165.1 | 69.2 | 71.9 | 0 | 0 | 112.3 | P2063 L2087 P2089 D2092 V2097 Y2116 A2140 T2141 N2142 | P2063-M2095 HydrophobicContact CB-CE 3.91Å; P2063-M2095 HydrophobicContact CB-SD 3.81Å; P2063-M2095 VanDerWaalsContact CB-SD 3.58Å; P2063-M2095 HydrophobicContact CG-CE 4.06Å; P2063-M2095 HydrophobicContact CG-SD 4.26Å; L2087-M2095 HydrophobicContact CD2-CE 4.18Å; L2087-M2095 HydrophobicContact CD2-CG 3.96Å; L2087-M2095 HydrophobicContact CD2-SD 3.84Å; P2089-M2095 HydrophobicContact CG-CE 4.29Å; D2092-M2095 HydrophobicContact CB-CB 4.37Å; D2092-M2095 HydrophobicContact CB-CE 4.17Å; D2092-M2095 VanDerWaalsContact O-CB 3.3Å; D2092-M2095 WeakPolarHBondContact O-CB 3.32Å; D2092-M2095 PolarHBondContact O-N 3.01Å; M2095-V2097 HydrophobicContact CG-CG2 4.47Å; M2095-Y2116 WeakPolarHBondContact CB-OH 3.41Å; M2095-Y2116 HydrophobicContact CG-CE1 4.44Å; M2095-Y2116 HydrophobicContact CG-CE2 4.39Å; M2095-Y2116 VanDerWaalsContact CG-OH 3.27Å; M2095-Y2116 WeakPolarHBondContact CG-OH 3.35Å; M2095-A2140 HydrophobicContact SD-CB 4.2Å; M2095-T2141 CarbonylContact C-O 3.51Å; M2095-T2141 WeakPolarHBondContact CA-O 3.35Å; M2095-N2142 HydrophobicContact CE-CB 4.1Å; M2095-N2142 HydrophobicContact SD-CB 3.95Å | ||
| 2096 | K | 85.8 | Confident | 85.4 | Confident | 116.8 Ų | 116.8 | 67.4 Ų | 67.4 | 51% | 0.508 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 127.9 | 174.5 | -133.9 | -171.6 | 177.9 | -163.2 | 0 | 109.9 | T2094 E2098 A2140 T2141 | T2094-K2096 PolarHBondContact O-N 3.25Å; K2096-E2098 HydrophobicContact CD-CG 4.39Å; K2096-E2098 VanDerWaalsContact CE-CD 3.41Å; K2096-E2098 WeakPolarHBondContact CE-OE1 3.43Å; K2096-E2098 HydrophobicContact CG-CG 4.44Å; K2096-E2098 IonicContact NZ-OE1 3.31Å; K2096-E2098 PolarHBondContact NZ-OE1 3.02Å; K2096-E2098 IonicContact NZ-OE2 3.91Å; K2096-E2098 PolarHBondContact NZ-OE2 2.86Å; K2096-A2140 CarbonylContact O-C 3.53Å; K2096-A2140 WeakPolarHBondContact O-CA 3.36Å; K2096-T2141 PolarHBondContact N-O 2.98Å; K2096-T2141 PolarHBondContact O-N 3.14Å |
| 2097 | V | 90.5 | Very high | 85.1 | Confident | 34.2 Ų | 34.2 | 71.2 Ų | 71.2 | 21% | 0.207 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.6 | 178.2 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | L2087 M2095 Y2116 C2121 C2138 V2139 A2140 | L2087-V2097 HydrophobicContact CD1-CG2 3.93Å; L2087-V2097 HydrophobicContact CD2-CG2 4.11Å; M2095-V2097 HydrophobicContact CG-CG2 4.47Å; V2097-Y2116 HydrophobicContact CB-CD2 4.37Å; V2097-Y2116 HydrophobicContact CB-CG 4.27Å; V2097-Y2116 HydrophobicContact CG2-CD1 4.28Å; V2097-Y2116 HydrophobicContact CG2-CD2 3.57Å; V2097-Y2116 VanDerWaalsContact CG2-CD2 3.41Å; V2097-Y2116 HydrophobicContact CG2-CE1 4.43Å; V2097-Y2116 HydrophobicContact CG2-CE2 3.8Å; V2097-Y2116 HydrophobicContact CG2-CG 3.83Å; V2097-C2121 HydrophobicContact CG1-CB 4.28Å; V2097-C2138 WeakPolarHBondContact CG1-SG 3.38Å; V2097-V2139 CarbonylContact C-O 3.51Å; V2097-V2139 VanDerWaalsContact CA-O 3.27Å; V2097-V2139 WeakPolarHBondContact CA-O 3.37Å; V2097-A2140 HydrophobicContact CG2-CB 4.32Å |
| 2098 | E | 90.6 | Very high | 84.9 | Confident | 94.2 Ų | 94.2 | 76.5 Ų | 76.5 | 44% | 0.44 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 136.1 | -179.8 | -63.5 | -176.5 | 136.5 | 0 | 0 | 110.8 | K2096 C2138 V2139 | K2096-E2098 HydrophobicContact CD-CG 4.39Å; K2096-E2098 VanDerWaalsContact CE-CD 3.41Å; K2096-E2098 WeakPolarHBondContact CE-OE1 3.43Å; K2096-E2098 HydrophobicContact CG-CG 4.44Å; K2096-E2098 IonicContact NZ-OE1 3.31Å; K2096-E2098 PolarHBondContact NZ-OE1 3.02Å; K2096-E2098 IonicContact NZ-OE2 3.91Å; K2096-E2098 PolarHBondContact NZ-OE2 2.86Å; E2098-C2138 CarbonylContact O-C 3.46Å; E2098-C2138 WeakPolarHBondContact O-CA 3.42Å; E2098-V2139 HydrophobicContact CB-CB 4.39Å; E2098-V2139 PolarHBondContact N-O 3.05Å; E2098-V2139 WeakPolarHBondContact O-CB 3.27Å; E2098-V2139 PolarHBondContact O-N 3.04Å |
| 2099 | W | 92.2 | Very high | 84.5 | Confident | 10.2 Ų | 10.2 | 76.2 Ų | 76.2 | 4% | 0.039 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 134.7 | 174.7 | -76.3 | 93.1 | 0 | 0 | 0 | 111.3 | F2069 L2083 L2106 F2108 V2122 L2123 T2137 C2138 | F2069-W2099 HydrophobicContact CD1-CH2 4.49Å; F2069-W2099 AromaticContact CE1-CH2 3.63Å; F2069-W2099 HydrophobicContact CE1-CH2 3.63Å; F2069-W2099 HydrophobicContact CE1-CZ2 4.28Å; F2069-W2099 HydrophobicContact CE1-CZ3 4.47Å; F2069-W2099 AromaticContact CE2-CH2 3.79Å; F2069-W2099 HydrophobicContact CE2-CH2 3.79Å; F2069-W2099 AromaticContact CE2-CZ3 3.91Å; F2069-W2099 HydrophobicContact CE2-CZ3 3.94Å; F2069-W2099 AromaticContact CZ-CH2 3.21Å; F2069-W2099 HydrophobicContact CZ-CH2 3.21Å; F2069-W2099 AromaticContact CZ-CZ2 3.92Å; F2069-W2099 HydrophobicContact CZ-CZ2 3.95Å; F2069-W2099 AromaticContact CZ-CZ3 3.83Å; F2069-W2099 HydrophobicContact CZ-CZ3 3.83Å; L2083-W2099 HydrophobicContact CB-CH2 4.06Å; L2083-W2099 HydrophobicContact CD1-CH2 4.34Å; L2083-W2099 HydrophobicContact CD1-CZ3 4.15Å; W2099-L2106 HydrophobicContact CB-CB 4.22Å; W2099-L2106 HydrophobicContact CB-CD2 4.26Å; W2099-L2106 WeakPolarHBondContact O-CB 3.23Å; W2099-L2106 PolarHBondContact O-N 2.98Å; W2099-F2108 HydrophobicContact CB-CE1 4.26Å; W2099-F2108 HydrophobicContact CB-CZ 4.23Å; W2099-F2108 HydrophobicContact CG-CE1 4.48Å; W2099-V2122 PolarHBondContact NE1-O 2.77Å; W2099-L2123 HydrophobicContact CD2-CB 4.03Å; W2099-L2123 HydrophobicContact CD2-CD2 3.91Å; W2099-L2123 HydrophobicContact CD2-CG 4.45Å; W2099-L2123 HydrophobicContact CE3-CB 4.19Å; W2099-L2123 HydrophobicContact CE3-CD2 3.58Å; W2099-L2123 HydrophobicContact CE3-CG 4.48Å; W2099-L2123 HydrophobicContact CG-CD2 4.43Å; W2099-L2123 HydrophobicContact CH2-CB 3.56Å; W2099-L2123 VanDerWaalsContact CH2-CB 3.5Å; W2099-L2123 HydrophobicContact CH2-CD2 4.28Å; W2099-L2123 HydrophobicContact CZ2-CB 3.42Å; W2099-L2123 VanDerWaalsContact CZ2-CB 3.42Å; W2099-L2123 HydrophobicContact CZ3-CB 3.96Å; W2099-L2123 HydrophobicContact CZ3-CD2 3.78Å; W2099-L2123 HydrophobicContact CZ3-CG 4.47Å; W2099-T2137 CarbonylContact C-O 3.54Å; W2099-T2137 WeakPolarHBondContact CA-O 3.3Å; W2099-C2138 HydrophobicContact CD2-CB 3.95Å; W2099-C2138 HydrophobicContact CE3-CB 3.88Å; W2099-C2138 HydrophobicContact CH2-CB 3.86Å; W2099-C2138 HydrophobicContact CZ2-CB 3.85Å; W2099-C2138 HydrophobicContact CZ3-CB 3.85Å |
| 2100 | L | 92.1 | Very high | 83.8 | Confident | 34 Ų | 34 | 81.6 Ų | 81.6 | 18% | 0.178 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 138 | 177 | -54.8 | 141.1 | 0 | 0 | 0 | 110.2 | R2104 P2105 Y2136 T2137 V2139 | L2100-R2104 CarbonylContact C-O 3.46Å; L2100-R2104 WeakPolarHBondContact CA-O 3.28Å; L2100-R2104 WeakPolarHBondContact CB-O 3.45Å; L2100-P2105 HydrophobicContact CD2-CG 4.34Å; L2100-Y2136 CarbonylContact O-C 3.58Å; L2100-Y2136 WeakPolarHBondContact O-CA 3.39Å; L2100-T2137 PolarHBondContact N-O 3.07Å; L2100-T2137 PolarHBondContact O-N 2.97Å; L2100-V2139 HydrophobicContact CD1-CB 4.16Å; L2100-V2139 HydrophobicContact CD1-CG2 3.65Å; L2100-V2139 VanDerWaalsContact CD1-CG2 3.4Å; L2100-V2139 HydrophobicContact CG-CG2 4.36Å |
| 2101 | F | 91.2 | Very high | 84.2 | Confident | 45.2 Ų | 45.2 | 79.9 Ų | 79.9 | 20% | 0.198 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 121.4 | 168.3 | 176.9 | -115.6 | 0 | 0 | 0 | 109.5 | G2103 R2104 L2106 D2132 Q2135 Y2136 | F2101-G2103 PolarHBondContact O-N 2.97Å; F2101-G2103 VanDerWaalsContact O-N 3.11Å; F2101-R2104 PolarHBondContact N-O 3.07Å; F2101-R2104 PolarHBondContact O-N 3.1Å; F2101-L2106 HydrophobicContact CB-CB 4.36Å; F2101-L2106 HydrophobicContact CB-CD1 3.87Å; F2101-L2106 HydrophobicContact CG-CD1 4.45Å; F2101-D2132 VanDerWaalsContact CE2-O 3.31Å; F2101-D2132 WeakPolarHBondContact CE2-O 3.34Å; F2101-Q2135 CarbonylContact C-O 3.52Å; F2101-Q2135 WeakPolarHBondContact CA-O 3.27Å; F2101-Y2136 HydrophobicContact CB-CD1 4.45Å; F2101-Y2136 HydrophobicContact CB-CE1 4.32Å; F2101-Y2136 AromaticContact CD2-CD1 3.99Å; F2101-Y2136 HydrophobicContact CD2-CD1 4.06Å; F2101-Y2136 AromaticContact CD2-CD2 3.94Å; F2101-Y2136 HydrophobicContact CD2-CD2 4Å; F2101-Y2136 AromaticContact CD2-CE1 3.63Å; F2101-Y2136 HydrophobicContact CD2-CE1 3.63Å; F2101-Y2136 AromaticContact CD2-CE2 3.55Å; F2101-Y2136 HydrophobicContact CD2-CE2 3.55Å; F2101-Y2136 VanDerWaalsContact CD2-CE2 3.5Å; F2101-Y2136 HydrophobicContact CD2-CG 4.23Å; F2101-Y2136 AromaticContact CD2-CZ 3.35Å; F2101-Y2136 VanDerWaalsContact CD2-CZ 3.41Å; F2101-Y2136 HydrophobicContact CE2-CD2 4.28Å; F2101-Y2136 HydrophobicContact CE2-CE1 4.28Å; F2101-Y2136 AromaticContact CE2-CE2 3.53Å; F2101-Y2136 HydrophobicContact CE2-CE2 3.53Å; F2101-Y2136 VanDerWaalsContact CE2-CE2 3.48Å; F2101-Y2136 AromaticContact CE2-CZ 3.52Å; F2101-Y2136 VanDerWaalsContact CE2-CZ 3.45Å; F2101-Y2136 WeakPolarHBondContact CE2-OH 3.36Å; F2101-Y2136 HydrophobicContact CG-CE1 4.29Å |
| 2102 | N | 88.9 | Confident | 85.1 | Confident | 86.6 Ų | 86.6 | 72.7 Ų | 72.7 | 46% | 0.463 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 40.1 | -175.4 | -65.4 | -41.4 | 0 | 0 | 0 | 112.9 | R2104 G2134 Q2135 | N2102-R2104 VanDerWaalsContact C-N 3.29Å; N2102-R2104 PolarHBondContact O-N 3.03Å; N2102-G2134 WeakPolarHBondContact OD1-CA 3.43Å; N2102-Q2135 PolarHBondContact N-O 2.95Å; N2102-Q2135 PolarHBondContact OD1-N 3.04Å |
| 2103 | G | 85.2 | Confident | 85.4 | Confident | 55.8 Ų | 55.8 | 76 Ų | 76 | 58% | 0.575 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 2.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | F2101 | F2101-G2103 PolarHBondContact O-N 2.97Å; F2101-G2103 VanDerWaalsContact O-N 3.11Å |
| 2104 | R | 85.4 | Confident | 86 | Confident | 195.8 Ų | 195.8 | 73.7 Ų | 73.7 | 74% | 0.739 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 148.9 | 174 | -61.5 | -177.2 | -178.8 | -173.3 | 0.7 | 110.2 | L2100 F2101 N2102 L2106 | L2100-R2104 CarbonylContact C-O 3.46Å; L2100-R2104 WeakPolarHBondContact CA-O 3.28Å; L2100-R2104 WeakPolarHBondContact CB-O 3.45Å; F2101-R2104 PolarHBondContact N-O 3.07Å; F2101-R2104 PolarHBondContact O-N 3.1Å; N2102-R2104 VanDerWaalsContact C-N 3.29Å; N2102-R2104 PolarHBondContact O-N 3.03Å; R2104-L2106 PolarHBondContact O-N 3.01Å |
| 2105 | P | 87.1 | Confident | 86.2 | Confident | 104.4 Ų | 104.4 | 74.8 Ų | 74.8 | 68% | 0.678 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.7 | 127.1 | 174 | -25.3 | 34.4 | 0 | 0 | 0 | 111.5 | L2100 Q2107 | L2100-P2105 HydrophobicContact CD2-CG 4.34Å; P2105-Q2107 PolarHBondContact O-N 3.09Å |
| 2106 | L | 87.8 | Confident | 85.9 | Confident | 15.2 Ų | 15.2 | 77.7 Ų | 77.7 | 8% | 0.08 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 128.1 | 177.6 | 177.7 | 63.9 | 0 | 0 | 0 | 109 | W2099 F2101 R2104 F2108 F2112 L2123 Y2136 | W2099-L2106 HydrophobicContact CB-CB 4.22Å; W2099-L2106 HydrophobicContact CB-CD2 4.26Å; W2099-L2106 WeakPolarHBondContact O-CB 3.23Å; W2099-L2106 PolarHBondContact O-N 2.98Å; F2101-L2106 HydrophobicContact CB-CB 4.36Å; F2101-L2106 HydrophobicContact CB-CD1 3.87Å; F2101-L2106 HydrophobicContact CG-CD1 4.45Å; R2104-L2106 PolarHBondContact O-N 3.01Å; L2106-F2108 HydrophobicContact CB-CE1 4.38Å; L2106-F2108 HydrophobicContact CD2-CD1 4.41Å; L2106-F2108 HydrophobicContact CD2-CE1 4.3Å; L2106-F2108 HydrophobicContact CG-CD1 4.3Å; L2106-F2108 HydrophobicContact CG-CE1 4.33Å; L2106-F2108 PolarHBondContact O-N 3.21Å; L2106-F2112 HydrophobicContact CD1-CD1 4.08Å; L2106-F2112 HydrophobicContact CD1-CD2 4.35Å; L2106-F2112 HydrophobicContact CD1-CE1 4.17Å; L2106-F2112 HydrophobicContact CD1-CE2 4.3Å; L2106-F2112 HydrophobicContact CD1-CG 4.29Å; L2106-F2112 HydrophobicContact CD1-CZ 4.3Å; L2106-F2112 HydrophobicContact CD2-CB 4.43Å; L2106-F2112 HydrophobicContact CD2-CD1 4.15Å; L2106-F2112 HydrophobicContact CD2-CG 4.43Å; L2106-F2112 HydrophobicContact CG-CD1 4.47Å; L2106-L2123 HydrophobicContact CD2-CD1 3.93Å; L2106-L2123 HydrophobicContact CD2-CD2 3.56Å; L2106-L2123 VanDerWaalsContact CD2-CD2 3.48Å; L2106-L2123 HydrophobicContact CD2-CG 4.42Å; L2106-Y2136 HydrophobicContact CD1-CE1 4.2Å; L2106-Y2136 HydrophobicContact CD2-CD1 4.29Å; L2106-Y2136 HydrophobicContact CD2-CE1 4.15Å |
| 2107 | Q | 80.6 | Confident | 85.5 | Confident | 159.6 Ų | 159.6 | 75.9 Ų | 75.9 | 75% | 0.746 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -83.5 | 115 | 176 | -69.4 | -150.2 | -12 | 0 | 0 | 110.2 | P2105 | P2105-Q2107 PolarHBondContact O-N 3.09Š|
| 2108 | F | 83.7 | Confident | 84.9 | Confident | 114 Ų | 114 | 81 Ų | 81 | 50% | 0.5 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 143.3 | 179.4 | -49.5 | -48.2 | 0 | 0 | 0 | 111 | W2099 L2106 P2114 | W2099-F2108 HydrophobicContact CB-CE1 4.26Å; W2099-F2108 HydrophobicContact CB-CZ 4.23Å; W2099-F2108 HydrophobicContact CG-CE1 4.48Å; L2106-F2108 HydrophobicContact CB-CE1 4.38Å; L2106-F2108 HydrophobicContact CD2-CD1 4.41Å; L2106-F2108 HydrophobicContact CD2-CE1 4.3Å; L2106-F2108 HydrophobicContact CG-CD1 4.3Å; L2106-F2108 HydrophobicContact CG-CE1 4.33Å; L2106-F2108 PolarHBondContact O-N 3.21Å; F2108-P2114 HydrophobicContact CD1-CB 4.38Å; F2108-P2114 HydrophobicContact CD1-CG 3.58Å; F2108-P2114 HydrophobicContact CD2-CG 4.13Å; F2108-P2114 HydrophobicContact CE1-CB 3.98Å; F2108-P2114 HydrophobicContact CE1-CG 3.55Å; F2108-P2114 VanDerWaalsContact CE1-CG 3.46Å; F2108-P2114 HydrophobicContact CE2-CG 4.1Å; F2108-P2114 HydrophobicContact CG-CG 3.89Å; F2108-P2114 HydrophobicContact CZ-CB 4.31Å; F2108-P2114 HydrophobicContact CZ-CG 3.82Å |
| 2109 | S | 77 | Confident | 84.4 | Confident | 54.4 Ų | 54.4 | 76.7 Ų | 76.7 | 38% | 0.38 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -153.7 | -177.4 | 178.6 | 68.7 | 0 | 0 | 0 | 0 | 108.8 | R2111 F2112 | S2109-R2111 PolarHBondContact O-N 2.99Å; S2109-R2111 VanDerWaalsContact O-N 3.11Å; S2109-R2111 PolarHBondContact OG-N 2.91Å; S2109-F2112 PolarHBondContact N-O 2.83Å; S2109-F2112 CarbonylContact O-C 3.53Å; S2109-F2112 PolarHBondContact O-N 2.82Å; S2109-F2112 VanDerWaalsContact O-N 3.07Å; S2109-F2112 VanDerWaalsContact O-O 3.06Å; S2109-F2112 PolarHBondContact OG-N 2.85Å |
| 2110 | H | 70.6 | Confident | 84.2 | Confident | 148.2 Ų | 148.2 | 80.2 Ų | 80.2 | 69% | 0.686 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -29.4 | 171.7 | 70.4 | -88 | 0 | 0 | 0 | 112.6 | K2113 M2126 | H2110-K2113 WeakPolarHBondContact O-CE 3.41Å; H2110-M2126 WeakPolarHBondContact O-CE 3.34Å |
| 2111 | R | 86.7 | Confident | 84 | Confident | 31.2 Ų | 31.2 | 78.6 Ų | 78.6 | 12% | 0.118 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -30.4 | 177.6 | -59.2 | -160.6 | -52.7 | 129.7 | 2.4 | 114.6 | S2109 D2124 I2125 M2126 G2127 R2129 D2132 | S2109-R2111 PolarHBondContact O-N 2.99Å; S2109-R2111 VanDerWaalsContact O-N 3.11Å; S2109-R2111 PolarHBondContact OG-N 2.91Å; R2111-D2124 VanDerWaalsContact O-O 3.13Å; R2111-I2125 CarbonylContact O-C 3.56Å; R2111-I2125 VanDerWaalsContact O-CA 3.29Å; R2111-I2125 WeakPolarHBondContact O-CA 3.28Å; R2111-M2126 WeakPolarHBondContact CD-O 3.41Å; R2111-M2126 PolarHBondContact O-N 3.14Å; R2111-G2127 PolarHBondContact NH1-O 2.84Å; R2111-G2127 VanDerWaalsContact NH1-O 3.12Å; R2111-R2129 VanDerWaalsContact NH1-CD 3.26Å; R2111-D2132 IonicContact CZ-OD1 3.33Å; R2111-D2132 IonicContact CZ-OD2 3.1Å; R2111-D2132 VanDerWaalsContact CZ-OD2 3.28Å; R2111-D2132 IonicContact NH1-OD1 3.42Å; R2111-D2132 IonicContact NH1-OD2 3.37Å; R2111-D2132 PolarHBondContact NH1-OD2 2.94Å; R2111-D2132 IonicContact NH2-OD1 3.16Å; R2111-D2132 PolarHBondContact NH2-OD1 3.06Å; R2111-D2132 IonicContact NH2-OD2 3.26Å; R2111-D2132 PolarHBondContact NH2-OD2 3.02Å |
| 2112 | F | 89.7 | Confident | 84 | Confident | 18.8 Ų | 18.8 | 77.1 Ų | 77.1 | 8% | 0.082 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 98.8 | -173.7 | -66.8 | -75.3 | 0 | 0 | 0 | 109.6 | L2106 S2109 P2114 L2123 D2124 I2125 D2132 Y2136 | L2106-F2112 HydrophobicContact CD1-CD1 4.08Å; L2106-F2112 HydrophobicContact CD1-CD2 4.35Å; L2106-F2112 HydrophobicContact CD1-CE1 4.17Å; L2106-F2112 HydrophobicContact CD1-CE2 4.3Å; L2106-F2112 HydrophobicContact CD1-CG 4.29Å; L2106-F2112 HydrophobicContact CD1-CZ 4.3Å; L2106-F2112 HydrophobicContact CD2-CB 4.43Å; L2106-F2112 HydrophobicContact CD2-CD1 4.15Å; L2106-F2112 HydrophobicContact CD2-CG 4.43Å; L2106-F2112 HydrophobicContact CG-CD1 4.47Å; S2109-F2112 PolarHBondContact N-O 2.83Å; S2109-F2112 CarbonylContact O-C 3.53Å; S2109-F2112 PolarHBondContact O-N 2.82Å; S2109-F2112 VanDerWaalsContact O-N 3.07Å; S2109-F2112 VanDerWaalsContact O-O 3.06Å; S2109-F2112 PolarHBondContact OG-N 2.85Å; F2112-P2114 WeakPolarHBondContact O-CD 3.28Å; F2112-L2123 HydrophobicContact CB-CD1 4.44Å; F2112-D2124 CarbonylContact C-O 3.51Å; F2112-D2124 WeakPolarHBondContact CA-O 3.29Å; F2112-I2125 HydrophobicContact CD1-CB 4.39Å; F2112-I2125 HydrophobicContact CD1-CD1 4.49Å; F2112-I2125 HydrophobicContact CD1-CG1 3.95Å; F2112-I2125 HydrophobicContact CD1-CG2 3.99Å; F2112-I2125 HydrophobicContact CE1-CB 4.36Å; F2112-I2125 HydrophobicContact CE1-CD1 4.25Å; F2112-I2125 HydrophobicContact CE1-CG1 4.05Å; F2112-I2125 HydrophobicContact CE1-CG2 3.58Å; F2112-I2125 HydrophobicContact CZ-CG2 4.32Å; F2112-D2132 HydrophobicContact CZ-CB 4.48Å; F2112-D2132 WeakPolarHBondContact CZ-OD1 3.27Å; F2112-Y2136 HydrophobicContact CE1-CE1 4.23Å; F2112-Y2136 WeakPolarHBondContact CE1-OH 3.29Å |
| 2113 | K | 84.9 | Confident | 84.2 | Confident | 95.2 Ų | 95.2 | 73 Ų | 73 | 41% | 0.414 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 101.5 | -175 | -66.6 | 178.3 | 175.5 | 175.6 | 0 | 111.1 | H2110 L2123 D2124 M2126 | H2110-K2113 WeakPolarHBondContact O-CE 3.41Å; K2113-L2123 WeakPolarHBondContact O-CA 3.43Å; K2113-D2124 HydrophobicContact CB-CB 4.25Å; K2113-D2124 PolarHBondContact N-O 2.87Å; K2113-D2124 PolarHBondContact O-N 2.96Å; K2113-M2126 HydrophobicContact CD-CE 4.09Å; K2113-M2126 VanDerWaalsContact CE-CE 3.47Å; K2113-M2126 HydrophobicContact CG-CE 4.42Å |
| 2114 | P | 88.8 | Confident | 84.5 | Confident | 48.2 Ų | 48.2 | 72.3 Ų | 72.3 | 31% | 0.313 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 143.9 | 171.5 | 35.6 | -37.1 | 0 | 0 | 0 | 110.9 | F2108 F2112 V2122 L2123 | F2108-P2114 HydrophobicContact CD1-CB 4.38Å; F2108-P2114 HydrophobicContact CD1-CG 3.58Å; F2108-P2114 HydrophobicContact CD2-CG 4.13Å; F2108-P2114 HydrophobicContact CE1-CB 3.98Å; F2108-P2114 HydrophobicContact CE1-CG 3.55Å; F2108-P2114 VanDerWaalsContact CE1-CG 3.46Å; F2108-P2114 HydrophobicContact CE2-CG 4.1Å; F2108-P2114 HydrophobicContact CG-CG 3.89Å; F2108-P2114 HydrophobicContact CZ-CB 4.31Å; F2108-P2114 HydrophobicContact CZ-CG 3.82Å; F2112-P2114 WeakPolarHBondContact O-CD 3.28Å; P2114-V2122 CarbonylContact C-O 3.58Å; P2114-V2122 VanDerWaalsContact CA-O 3.3Å; P2114-V2122 WeakPolarHBondContact CA-O 3.24Å; P2114-L2123 HydrophobicContact CB-CD1 4.37Å |
| 2115 | I | 84.9 | Confident | 84.7 | Confident | 90 Ų | 90 | 63 Ų | 63 | 46% | 0.462 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 136.3 | 170.6 | -51 | 172.4 | 0 | 0 | 0 | 108.2 | C2121 V2122 | I2115-C2121 CarbonylContact O-C 3.53Å; I2115-C2121 WeakPolarHBondContact O-CA 3.32Å; I2115-V2122 HydrophobicContact CB-CB 4.15Å; I2115-V2122 HydrophobicContact CB-CG2 4.47Å; I2115-V2122 HydrophobicContact CG1-CB 4.45Å; I2115-V2122 PolarHBondContact N-O 3.16Å; I2115-V2122 PolarHBondContact O-N 3.08Å |
| 2116 | Y | 80.6 | Confident | 84.6 | Confident | 80.4 Ų | 80.4 | 61.3 Ų | 61.3 | 32% | 0.315 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 112.3 | 169.5 | 166.6 | -108.1 | 0 | 0 | 0 | 108.7 | L2087 M2095 V2097 F2120 C2121 | L2087-Y2116 HydrophobicContact CD1-CD2 4.47Å; L2087-Y2116 HydrophobicContact CD1-CE2 4.29Å; L2087-Y2116 HydrophobicContact CD2-CE2 3.93Å; M2095-Y2116 WeakPolarHBondContact CB-OH 3.41Å; M2095-Y2116 HydrophobicContact CG-CE1 4.44Å; M2095-Y2116 HydrophobicContact CG-CE2 4.39Å; M2095-Y2116 VanDerWaalsContact CG-OH 3.27Å; M2095-Y2116 WeakPolarHBondContact CG-OH 3.35Å; V2097-Y2116 HydrophobicContact CB-CD2 4.37Å; V2097-Y2116 HydrophobicContact CB-CG 4.27Å; V2097-Y2116 HydrophobicContact CG2-CD1 4.28Å; V2097-Y2116 HydrophobicContact CG2-CD2 3.57Å; V2097-Y2116 VanDerWaalsContact CG2-CD2 3.41Å; V2097-Y2116 HydrophobicContact CG2-CE1 4.43Å; V2097-Y2116 HydrophobicContact CG2-CE2 3.8Å; V2097-Y2116 HydrophobicContact CG2-CG 3.83Å; Y2116-F2120 VanDerWaalsContact CA-O 3.27Å; Y2116-F2120 WeakPolarHBondContact CA-O 3.4Å; Y2116-F2120 WeakPolarHBondContact CD2-O 3.42Å; Y2116-C2121 VanDerWaalsContact CD2-SG 3.58Å |
| 2117 | D | 76.1 | Confident | 84.4 | Confident | 78.6 Ų | 78.6 | 61.8 Ų | 61.8 | 42% | 0.42 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 147.5 | 179.6 | -156.2 | 0.7 | 0 | 0 | 0 | 111.5 | R1426 G2119 F2120 | R1426-D2117 IonicContact CZ-OD1 2.67Å; R1426-D2117 IonicContact CZ-OD2 2.7Å; R1426-D2117 VanDerWaalsContact CZ-OD2 3.22Å; R1426-D2117 IonicContact NH1-OD1 3.75Å; R1426-D2117 PolarHBondContact NH1-OD1 3.36Å; R1426-D2117 IonicContact NH1-OD2 2.71Å; R1426-D2117 PolarHBondContact NH1-OD2 3.14Å; R1426-D2117 IonicContact NH2-OD2 3.59Å; R1426-D2117 PolarHBondContact NH2-OD2 3.14Å; D2117-G2119 PolarHBondContact O-N 2.99Å; D2117-F2120 PolarHBondContact N-O 3.09Å; D2117-F2120 VanDerWaalsContact N-O 3.12Å; D2117-F2120 WeakPolarHBondContact O-CA 3.04Å; D2117-F2120 WeakPolarHBondContact O-CB 3.33Å; D2117-F2120 PolarHBondContact O-N 3.04Å |
| 2118 | F | 78.5 | Confident | 84.6 | Confident | 140.6 Ų | 140.6 | 54.2 Ų | 54.2 | 62% | 0.617 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 31.9 | 178.5 | -57.6 | -73 | 0 | 0 | 0 | 116 | V2090 F2120 | V2090-F2118 WeakPolarHBondContact CG1-O 3.33Å; F2118-F2120 VanDerWaalsContact C-N 3.34Å; F2118-F2120 HydrophobicContact CB-CD2 4.47Å; F2118-F2120 WeakPolarHBondContact O-CD2 3.36Å |
| 2119 | G | 81.2 | Confident | 84.7 | Confident | 3.8 Ų | 3.8 | 54.3 Ų | 54.3 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | 8.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q2086 L2087 D2117 | Q2086-G2119 CarbonylContact C-O 3.52Å; Q2086-G2119 VanDerWaalsContact CA-O 3.27Å; Q2086-G2119 WeakPolarHBondContact CA-O 3.27Å; L2087-G2119 WeakPolarHBondContact CA-O 3.34Å; L2087-G2119 VanDerWaalsContact CB-O 3.26Å; L2087-G2119 WeakPolarHBondContact CB-O 3.29Å; L2087-G2119 PolarHBondContact N-O 3.01Å; L2087-G2119 WeakPolarHBondContact O-CA 3.21Å; D2117-G2119 PolarHBondContact O-N 2.99Å |
| 2120 | F | 86.6 | Confident | 84.8 | Confident | 84.2 Ų | 84.2 | 53.5 Ų | 53.5 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 139.1 | 170.6 | -67.8 | -98.6 | 0 | 0 | 0 | 110.4 | E2084 S2085 Q2086 Y2116 D2117 F2118 | E2084-F2120 HydrophobicContact CG-CD1 4.38Å; E2084-F2120 WeakPolarHBondContact OE1-CD1 3.34Å; E2084-F2120 VanDerWaalsContact OE1-CE1 3.28Å; E2084-F2120 WeakPolarHBondContact OE1-CE1 3.32Å; S2085-F2120 WeakPolarHBondContact O-CA 3.3Å; Q2086-F2120 HydrophobicContact CG-CD1 3.74Å; Q2086-F2120 HydrophobicContact CG-CE1 3.55Å; Q2086-F2120 VanDerWaalsContact CG-CE1 3.41Å; Q2086-F2120 HydrophobicContact CG-CG 4.37Å; Q2086-F2120 HydrophobicContact CG-CZ 4.01Å; Q2086-F2120 VanDerWaalsContact NE2-CE1 3.28Å; Q2086-F2120 VanDerWaalsContact NE2-CZ 3.33Å; Y2116-F2120 VanDerWaalsContact CA-O 3.27Å; Y2116-F2120 WeakPolarHBondContact CA-O 3.4Å; Y2116-F2120 WeakPolarHBondContact CD2-O 3.42Å; D2117-F2120 PolarHBondContact N-O 3.09Å; D2117-F2120 VanDerWaalsContact N-O 3.12Å; D2117-F2120 WeakPolarHBondContact O-CA 3.04Å; D2117-F2120 WeakPolarHBondContact O-CB 3.33Å; D2117-F2120 PolarHBondContact O-N 3.04Å; F2118-F2120 VanDerWaalsContact C-N 3.34Å; F2118-F2120 HydrophobicContact CB-CD2 4.47Å; F2118-F2120 WeakPolarHBondContact O-CD2 3.36Å |
| 2121 | C | 88.2 | Confident | 85.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118.4 | 171.6 | -22.7 | 0 | 0 | 0 | 0 | 109.1 | F2065 E2084 S2085 L2087 V2097 I2115 Y2116 | F2065-C2121 HydrophobicContact CE1-CB 4.19Å; F2065-C2121 VanDerWaalsContact CE1-SG 3.51Å; F2065-C2121 WeakPolarHBondContact CE1-SG 3.36Å; E2084-C2121 CarbonylContact C-O 3.53Å; E2084-C2121 WeakPolarHBondContact CA-O 3.42Å; S2085-C2121 PolarHBondContact N-O 3.25Å; S2085-C2121 PolarHBondContact O-N 2.94Å; S2085-C2121 PolarHBondContact O-SG 2.89Å; S2085-C2121 VanDerWaalsContact O-SG 3.33Å; L2087-C2121 HydrophobicContact CD1-CB 3.82Å; V2097-C2121 HydrophobicContact CG1-CB 4.28Å; I2115-C2121 CarbonylContact O-C 3.53Å; I2115-C2121 WeakPolarHBondContact O-CA 3.32Å; Y2116-C2121 VanDerWaalsContact CD2-SG 3.58Å |
| 2122 | V | 91.8 | Very high | 85.4 | Confident | 14.6 Ų | 14.6 | 50.8 Ų | 50.8 | 9% | 0.088 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 145.7 | -176.2 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | H2082 L2083 E2084 W2099 P2114 I2115 | H2082-V2122 WeakPolarHBondContact CE1-CG1 3.28Å; L2083-V2122 CarbonylContact O-C 3.53Å; L2083-V2122 VanDerWaalsContact O-CA 3.24Å; L2083-V2122 WeakPolarHBondContact O-CA 3.37Å; E2084-V2122 HydrophobicContact CB-CG2 4.15Å; E2084-V2122 HydrophobicContact CG-CG2 4.25Å; W2099-V2122 PolarHBondContact NE1-O 2.77Å; P2114-V2122 CarbonylContact C-O 3.58Å; P2114-V2122 VanDerWaalsContact CA-O 3.3Å; P2114-V2122 WeakPolarHBondContact CA-O 3.24Å; I2115-V2122 HydrophobicContact CB-CB 4.15Å; I2115-V2122 HydrophobicContact CB-CG2 4.47Å; I2115-V2122 HydrophobicContact CG1-CB 4.45Å; I2115-V2122 PolarHBondContact N-O 3.16Å; I2115-V2122 PolarHBondContact O-N 3.08Å |
| 2123 | L | 92.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 117.4 | 163.8 | 175 | 65.6 | 0 | 0 | 0 | 110.3 | L2083 W2099 L2106 F2112 K2113 P2114 I2125 Y2136 | L2083-L2123 HydrophobicContact CB-CB 4.4Å; L2083-L2123 HydrophobicContact CD1-CD2 4.35Å; L2083-L2123 PolarHBondContact N-O 3.01Å; L2083-L2123 PolarHBondContact O-N 2.97Å; W2099-L2123 HydrophobicContact CD2-CB 4.03Å; W2099-L2123 HydrophobicContact CD2-CD2 3.91Å; W2099-L2123 HydrophobicContact CD2-CG 4.45Å; W2099-L2123 HydrophobicContact CE3-CB 4.19Å; W2099-L2123 HydrophobicContact CE3-CD2 3.58Å; W2099-L2123 HydrophobicContact CE3-CG 4.48Å; W2099-L2123 HydrophobicContact CG-CD2 4.43Å; W2099-L2123 HydrophobicContact CH2-CB 3.56Å; W2099-L2123 VanDerWaalsContact CH2-CB 3.5Å; W2099-L2123 HydrophobicContact CH2-CD2 4.28Å; W2099-L2123 HydrophobicContact CZ2-CB 3.42Å; W2099-L2123 VanDerWaalsContact CZ2-CB 3.42Å; W2099-L2123 HydrophobicContact CZ3-CB 3.96Å; W2099-L2123 HydrophobicContact CZ3-CD2 3.78Å; W2099-L2123 HydrophobicContact CZ3-CG 4.47Å; L2106-L2123 HydrophobicContact CD2-CD1 3.93Å; L2106-L2123 HydrophobicContact CD2-CD2 3.56Å; L2106-L2123 VanDerWaalsContact CD2-CD2 3.48Å; L2106-L2123 HydrophobicContact CD2-CG 4.42Å; F2112-L2123 HydrophobicContact CB-CD1 4.44Å; K2113-L2123 WeakPolarHBondContact O-CA 3.43Å; P2114-L2123 HydrophobicContact CB-CD1 4.37Å; L2123-I2125 HydrophobicContact CD2-CD1 4.47Å; L2123-I2125 HydrophobicContact CD2-CG1 4.41Å; L2123-I2125 HydrophobicContact CG-CG1 4.26Å; L2123-Y2136 HydrophobicContact CD2-CD1 3.78Å; L2123-Y2136 HydrophobicContact CD2-CE1 4.23Å |
| 2124 | D | 91.1 | Very high | 85.5 | Confident | 40.8 Ų | 40.8 | 47.6 Ų | 47.6 | 22% | 0.218 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 132.4 | 168.9 | -74.9 | -45.5 | 0 | 0 | 0 | 111.3 | V2081 H2082 R2111 F2112 K2113 | V2081-D2124 CarbonylContact O-C 3.54Å; V2081-D2124 WeakPolarHBondContact O-CA 3.37Å; H2082-D2124 WeakPolarHBondContact CB-OD1 3.29Å; H2082-D2124 IonicContact CE1-OD1 3.3Å; H2082-D2124 IonicContact CG-OD1 3.35Å; H2082-D2124 IonicContact ND1-OD1 3.06Å; H2082-D2124 PolarHBondContact ND1-OD1 3.05Å; H2082-D2124 IonicContact ND1-OD2 3.18Å; R2111-D2124 VanDerWaalsContact O-O 3.13Å; F2112-D2124 CarbonylContact C-O 3.51Å; F2112-D2124 WeakPolarHBondContact CA-O 3.29Å; K2113-D2124 HydrophobicContact CB-CB 4.25Å; K2113-D2124 PolarHBondContact N-O 2.87Å; K2113-D2124 PolarHBondContact O-N 2.96Å |
| 2125 | I | 91.1 | Very high | 85.7 | Confident | 0.2 Ų | 0.2 | 49.7 Ų | 49.7 | 0% | 0.001 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 102.2 | 173.7 | -48.6 | 175.8 | 0 | 0 | 0 | 108.1 | T2080 V2081 L2083 R2111 F2112 L2123 V2128 Y2136 L2153 | T2080-I2125 CarbonylContact C-O 3.55Å; T2080-I2125 VanDerWaalsContact CA-O 3.32Å; T2080-I2125 WeakPolarHBondContact CA-O 3.28Å; T2080-I2125 WeakPolarHBondContact CG2-O 3.4Å; V2081-I2125 HydrophobicContact CB-CB 4.24Å; V2081-I2125 HydrophobicContact CB-CD1 4.4Å; V2081-I2125 HydrophobicContact CB-CG1 4.47Å; V2081-I2125 HydrophobicContact CG1-CD1 4.41Å; V2081-I2125 PolarHBondContact N-O 3.08Å; V2081-I2125 PolarHBondContact O-N 2.95Å; L2083-I2125 HydrophobicContact CD1-CD1 4.34Å; R2111-I2125 CarbonylContact O-C 3.56Å; R2111-I2125 VanDerWaalsContact O-CA 3.29Å; R2111-I2125 WeakPolarHBondContact O-CA 3.28Å; F2112-I2125 HydrophobicContact CD1-CB 4.39Å; F2112-I2125 HydrophobicContact CD1-CD1 4.49Å; F2112-I2125 HydrophobicContact CD1-CG1 3.95Å; F2112-I2125 HydrophobicContact CD1-CG2 3.99Å; F2112-I2125 HydrophobicContact CE1-CB 4.36Å; F2112-I2125 HydrophobicContact CE1-CD1 4.25Å; F2112-I2125 HydrophobicContact CE1-CG1 4.05Å; F2112-I2125 HydrophobicContact CE1-CG2 3.58Å; F2112-I2125 HydrophobicContact CZ-CG2 4.32Å; L2123-I2125 HydrophobicContact CD2-CD1 4.47Å; L2123-I2125 HydrophobicContact CD2-CG1 4.41Å; L2123-I2125 HydrophobicContact CG-CG1 4.26Å; I2125-V2128 HydrophobicContact CB-CG2 4.26Å; I2125-V2128 HydrophobicContact CG2-CG2 3.8Å; I2125-Y2136 HydrophobicContact CD1-CD1 4.31Å; I2125-Y2136 HydrophobicContact CD1-CE1 3.73Å; I2125-Y2136 HydrophobicContact CD1-CE2 4.1Å; I2125-L2153 HydrophobicContact CD1-CD1 3.83Å |
| 2126 | M | 85.2 | Confident | 86.1 | Confident | 69 Ų | 69 | 45.4 Ų | 45.4 | 34% | 0.34 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -89 | 123.5 | 179.8 | -63.3 | -170.5 | -63.6 | 0 | 0 | 111.3 | T2080 H2110 R2111 K2113 | T2080-M2126 HydrophobicContact CG2-CB 4.49Å; T2080-M2126 HydrophobicContact CG2-CG 4.14Å; H2110-M2126 WeakPolarHBondContact O-CE 3.34Å; R2111-M2126 WeakPolarHBondContact CD-O 3.41Å; R2111-M2126 PolarHBondContact O-N 3.14Å; K2113-M2126 HydrophobicContact CD-CE 4.09Å; K2113-M2126 VanDerWaalsContact CE-CE 3.47Å; K2113-M2126 HydrophobicContact CG-CE 4.42Å |
| 2127 | G | 82.8 | Confident | 86.7 | Confident | 26.4 Ų | 26.4 | 42.6 Ų | 42.6 | 27% | 0.272 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 67.8 | 66.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G2078 D2079 R2111 R2129 | G2078-G2127 WeakPolarHBondContact O-CA 2.73Å; D2079-G2127 CarbonylContact O-C 3.54Å; D2079-G2127 WeakPolarHBondContact O-CA 3.25Å; D2079-G2127 PolarHBondContact O-N 3.04Å; R2111-G2127 PolarHBondContact NH1-O 2.84Å; R2111-G2127 VanDerWaalsContact NH1-O 3.12Å; G2127-R2129 PolarHBondContact O-N 2.75Å |
| 2128 | V | 85.4 | Confident | 87.5 | Confident | 0.4 Ų | 0.4 | 38.9 Ų | 38.9 | 0% | 0.002 | 20% | 0.201 | C | C | . | . | trans | -60.1 | 134.5 | 178.6 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | E2077 G2078 D2079 V2081 I2125 D2132 L2153 C2155 | E2077-V2128 CarbonylContact C-O 3.53Å; E2077-V2128 VanDerWaalsContact CA-O 3.29Å; E2077-V2128 WeakPolarHBondContact CA-O 3.33Å; G2078-V2128 PolarHBondContact N-O 3.2Å; D2079-V2128 WeakPolarHBondContact O-CB 3.41Å; D2079-V2128 VanDerWaalsContact O-CG2 3.28Å; D2079-V2128 WeakPolarHBondContact O-CG2 3.34Å; D2079-V2128 PolarHBondContact O-N 3.26Å; V2081-V2128 HydrophobicContact CB-CG2 4.17Å; V2081-V2128 HydrophobicContact CG2-CG2 3.73Å; I2125-V2128 HydrophobicContact CB-CG2 4.26Å; I2125-V2128 HydrophobicContact CG2-CG2 3.8Å; V2128-D2132 HydrophobicContact CG1-CB 4.33Å; V2128-L2153 HydrophobicContact CG1-CD2 3.94Å; V2128-C2155 HydrophobicContact CG1-CB 3.73Å | ||
| 2129 | R | 84.1 | Confident | 88.2 | Confident | 114.4 Ų | 114.4 | 32.3 Ų | 32.3 | 43% | 0.432 | 17% | 0.172 | S | C | . | . | trans | -113 | 164.3 | 175.9 | -59.9 | 172.8 | 180 | -175.2 | -2.8 | 110.5 | R2111 G2127 E2131 D2132 | R2111-R2129 VanDerWaalsContact NH1-CD 3.26Å; G2127-R2129 PolarHBondContact O-N 2.75Å; R2129-E2131 HydrophobicContact CB-CG 3.66Å; R2129-E2131 WeakPolarHBondContact CD-OE1 3.36Å; R2129-E2131 HydrophobicContact CG-CG 4.49Å; R2129-E2131 IonicContact CZ-OE1 3.01Å; R2129-E2131 IonicContact NE-OE1 3.48Å; R2129-E2131 IonicContact NH1-OE1 3.16Å; R2129-E2131 PolarHBondContact NH1-OE1 2.96Å; R2129-E2131 VanDerWaalsContact NH1-OE1 3.1Å; R2129-E2131 PolarHBondContact O-N 2.93Å; R2129-E2131 VanDerWaalsContact O-N 3.16Å; R2129-D2132 WeakPolarHBondContact CB-OD2 3.32Å; R2129-D2132 PolarHBondContact N-OD2 3.05Å; R2129-D2132 WeakPolarHBondContact O-CB 3.16Å; R2129-D2132 PolarHBondContact O-N 3.09Å | ||
| 2130 | A | 79.5 | Confident | 88.7 | Confident | 38.2 Ų | 38.2 | 32.1 Ų | 32.1 | 32% | 0.316 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -54.5 | -36.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E2077 D2132 S2133 | E2077-A2130 HydrophobicContact CG-CB 4.46Å; E2077-A2130 VanDerWaalsContact OE1-CB 3.26Å; E2077-A2130 WeakPolarHBondContact OE1-CB 3.38Å; E2077-A2130 PolarHBondContact OE1-N 3.09Å; E2077-A2130 VanDerWaalsContact OE1-N 3.08Å; A2130-D2132 VanDerWaalsContact C-N 3.31Å; A2130-D2132 PolarHBondContact O-N 3.27Å; A2130-S2133 VanDerWaalsContact O-CB 3.24Å; A2130-S2133 WeakPolarHBondContact O-CB 3.29Å; A2130-S2133 PolarHBondContact O-N 2.98Å; A2130-S2133 PolarHBondContact O-OG 3.09Å |
| 2131 | E | 83.7 | Confident | 88.9 | Confident | 113 Ų | 113 | 30.4 Ų | 30.4 | 53% | 0.528 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -68.5 | -21.6 | 176.6 | 58.1 | 177.3 | 178.7 | 0 | 0 | 114.8 | R2129 S2133 | R2129-E2131 HydrophobicContact CB-CG 3.66Å; R2129-E2131 WeakPolarHBondContact CD-OE1 3.36Å; R2129-E2131 HydrophobicContact CG-CG 4.49Å; R2129-E2131 IonicContact CZ-OE1 3.01Å; R2129-E2131 IonicContact NE-OE1 3.48Å; R2129-E2131 IonicContact NH1-OE1 3.16Å; R2129-E2131 PolarHBondContact NH1-OE1 2.96Å; R2129-E2131 VanDerWaalsContact NH1-OE1 3.1Å; R2129-E2131 PolarHBondContact O-N 2.93Å; R2129-E2131 VanDerWaalsContact O-N 3.16Å; E2131-S2133 PolarHBondContact O-N 3.09Å |
| 2132 | D | 87.5 | Confident | 88.9 | Confident | 9.2 Ų | 9.2 | 30.9 Ų | 30.9 | 5% | 0.049 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -80.5 | -4.3 | 176.6 | -57.1 | -41.7 | 0 | 0 | 0 | 111.7 | F2101 R2111 F2112 V2128 R2129 A2130 G2134 Y2136 | F2101-D2132 VanDerWaalsContact CE2-O 3.31Å; F2101-D2132 WeakPolarHBondContact CE2-O 3.34Å; R2111-D2132 IonicContact CZ-OD1 3.33Å; R2111-D2132 IonicContact CZ-OD2 3.1Å; R2111-D2132 VanDerWaalsContact CZ-OD2 3.28Å; R2111-D2132 IonicContact NH1-OD1 3.42Å; R2111-D2132 IonicContact NH1-OD2 3.37Å; R2111-D2132 PolarHBondContact NH1-OD2 2.94Å; R2111-D2132 IonicContact NH2-OD1 3.16Å; R2111-D2132 PolarHBondContact NH2-OD1 3.06Å; R2111-D2132 IonicContact NH2-OD2 3.26Å; R2111-D2132 PolarHBondContact NH2-OD2 3.02Å; F2112-D2132 HydrophobicContact CZ-CB 4.48Å; F2112-D2132 WeakPolarHBondContact CZ-OD1 3.27Å; V2128-D2132 HydrophobicContact CG1-CB 4.33Å; R2129-D2132 WeakPolarHBondContact CB-OD2 3.32Å; R2129-D2132 PolarHBondContact N-OD2 3.05Å; R2129-D2132 WeakPolarHBondContact O-CB 3.16Å; R2129-D2132 PolarHBondContact O-N 3.09Å; A2130-D2132 VanDerWaalsContact C-N 3.31Å; A2130-D2132 PolarHBondContact O-N 3.27Å; D2132-G2134 PolarHBondContact O-N 2.98Å; D2132-Y2136 VanDerWaalsContact O-CE2 3.29Å; D2132-Y2136 WeakPolarHBondContact O-CE2 3.42Å; D2132-Y2136 PolarHBondContact O-OH 2.98Å; D2132-Y2136 VanDerWaalsContact O-OH 3.12Å |
| 2133 | S | 87.5 | Confident | 88.4 | Confident | 31.4 Ų | 31.4 | 34 Ų | 34 | 22% | 0.22 | 20% | 0.197 | C | C | . | . | trans | -65.5 | 128.7 | 173.7 | -55.1 | 0 | 0 | 0 | 0 | 110.8 | A2130 E2131 L2153 C2155 | A2130-S2133 VanDerWaalsContact O-CB 3.24Å; A2130-S2133 WeakPolarHBondContact O-CB 3.29Å; A2130-S2133 PolarHBondContact O-N 2.98Å; A2130-S2133 PolarHBondContact O-OG 3.09Å; E2131-S2133 PolarHBondContact O-N 3.09Å; S2133-L2153 CarbonylContact C-O 3.58Å; S2133-L2153 VanDerWaalsContact CA-O 3.3Å; S2133-L2153 WeakPolarHBondContact CA-O 3.31Å; S2133-C2155 WeakPolarHBondContact OG-CB 3.3Å; S2133-C2155 PolarHBondContact OG-N 3.14Å | ||
| 2134 | G | 88.9 | Confident | 87.9 | Confident | 15.6 Ų | 15.6 | 36.6 Ų | 36.6 | 16% | 0.161 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162 | -171.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N2102 D2132 S2152 L2153 | N2102-G2134 WeakPolarHBondContact OD1-CA 3.43Å; D2132-G2134 PolarHBondContact O-N 2.98Å; G2134-S2152 WeakPolarHBondContact O-CA 3.45Å; G2134-L2153 PolarHBondContact N-O 3.06Å; G2134-L2153 PolarHBondContact O-N 2.97Å |
| 2135 | Q | 92.1 | Very high | 87.8 | Confident | 92 Ų | 92 | 35.8 Ų | 35.8 | 43% | 0.43 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 113.4 | -176.9 | -171.2 | 175.2 | 26.6 | 0 | 0 | 110.4 | F2101 N2102 C2150 V2151 | F2101-Q2135 CarbonylContact C-O 3.52Å; F2101-Q2135 WeakPolarHBondContact CA-O 3.27Å; N2102-Q2135 PolarHBondContact N-O 2.95Å; N2102-Q2135 PolarHBondContact OD1-N 3.04Å; Q2135-C2150 VanDerWaalsContact CD-SG 3.51Å; Q2135-C2150 WeakPolarHBondContact CG-SG 3.21Å; Q2135-C2150 PolarHBondContact NE2-SG 3.17Å; Q2135-V2151 CarbonylContact C-O 3.54Å; Q2135-V2151 WeakPolarHBondContact CA-O 3.39Å |
| 2136 | Y | 93.1 | Very high | 87.8 | Confident | 0.4 Ų | 0.4 | 43.4 Ų | 43.4 | 0% | 0.002 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 128.3 | 174.2 | -69.6 | -96.6 | 0 | 0 | 0 | 109.5 | L2083 L2100 F2101 L2106 F2112 L2123 I2125 D2132 C2150 V2151 L2153 | L2083-Y2136 HydrophobicContact CD1-CG 4.32Å; L2100-Y2136 CarbonylContact O-C 3.58Å; L2100-Y2136 WeakPolarHBondContact O-CA 3.39Å; F2101-Y2136 HydrophobicContact CB-CD1 4.45Å; F2101-Y2136 HydrophobicContact CB-CE1 4.32Å; F2101-Y2136 AromaticContact CD2-CD1 3.99Å; F2101-Y2136 HydrophobicContact CD2-CD1 4.06Å; F2101-Y2136 AromaticContact CD2-CD2 3.94Å; F2101-Y2136 HydrophobicContact CD2-CD2 4Å; F2101-Y2136 AromaticContact CD2-CE1 3.63Å; F2101-Y2136 HydrophobicContact CD2-CE1 3.63Å; F2101-Y2136 AromaticContact CD2-CE2 3.55Å; F2101-Y2136 HydrophobicContact CD2-CE2 3.55Å; F2101-Y2136 VanDerWaalsContact CD2-CE2 3.5Å; F2101-Y2136 HydrophobicContact CD2-CG 4.23Å; F2101-Y2136 AromaticContact CD2-CZ 3.35Å; F2101-Y2136 VanDerWaalsContact CD2-CZ 3.41Å; F2101-Y2136 HydrophobicContact CE2-CD2 4.28Å; F2101-Y2136 HydrophobicContact CE2-CE1 4.28Å; F2101-Y2136 AromaticContact CE2-CE2 3.53Å; F2101-Y2136 HydrophobicContact CE2-CE2 3.53Å; F2101-Y2136 VanDerWaalsContact CE2-CE2 3.48Å; F2101-Y2136 AromaticContact CE2-CZ 3.52Å; F2101-Y2136 VanDerWaalsContact CE2-CZ 3.45Å; F2101-Y2136 WeakPolarHBondContact CE2-OH 3.36Å; F2101-Y2136 HydrophobicContact CG-CE1 4.29Å; L2106-Y2136 HydrophobicContact CD1-CE1 4.2Å; L2106-Y2136 HydrophobicContact CD2-CD1 4.29Å; L2106-Y2136 HydrophobicContact CD2-CE1 4.15Å; F2112-Y2136 HydrophobicContact CE1-CE1 4.23Å; F2112-Y2136 WeakPolarHBondContact CE1-OH 3.29Å; L2123-Y2136 HydrophobicContact CD2-CD1 3.78Å; L2123-Y2136 HydrophobicContact CD2-CE1 4.23Å; I2125-Y2136 HydrophobicContact CD1-CD1 4.31Å; I2125-Y2136 HydrophobicContact CD1-CE1 3.73Å; I2125-Y2136 HydrophobicContact CD1-CE2 4.1Å; D2132-Y2136 VanDerWaalsContact O-CE2 3.29Å; D2132-Y2136 WeakPolarHBondContact O-CE2 3.42Å; D2132-Y2136 PolarHBondContact O-OH 2.98Å; D2132-Y2136 VanDerWaalsContact O-OH 3.12Å; Y2136-C2150 CarbonylContact O-C 3.55Å; Y2136-C2150 VanDerWaalsContact O-CA 3.31Å; Y2136-C2150 WeakPolarHBondContact O-CA 3.38Å; Y2136-C2150 PolarHBondContact O-SG 3.14Å; Y2136-V2151 PolarHBondContact N-O 2.96Å; Y2136-V2151 PolarHBondContact O-N 2.98Å; Y2136-L2153 HydrophobicContact CD2-CB 4.01Å; Y2136-L2153 HydrophobicContact CD2-CD1 4.35Å; Y2136-L2153 HydrophobicContact CE2-CB 3.92Å; Y2136-L2153 HydrophobicContact CE2-CD1 4.07Å; Y2136-L2153 HydrophobicContact CE2-CG 4.38Å |
| 2137 | T | 93.6 | Very high | 88.2 | Confident | 21.8 Ų | 21.8 | 42.6 Ų | 42.6 | 13% | 0.134 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 118.9 | -178.8 | -48.8 | 0 | 0 | 0 | 0 | 110 | W2099 L2100 V2139 L2149 C2150 | W2099-T2137 CarbonylContact C-O 3.54Å; W2099-T2137 WeakPolarHBondContact CA-O 3.3Å; L2100-T2137 PolarHBondContact N-O 3.07Å; L2100-T2137 PolarHBondContact O-N 2.97Å; T2137-V2139 HydrophobicContact CG2-CG2 4.13Å; T2137-L2149 CarbonylContact C-O 3.53Å; T2137-L2149 VanDerWaalsContact CA-O 3.27Å; T2137-L2149 WeakPolarHBondContact CA-O 3.35Å; T2137-L2149 WeakPolarHBondContact CG2-O 3.33Å; T2137-C2150 HydrophobicContact CG2-CB 4.14Å; T2137-C2150 PolarHBondContact OG1-SG 3.14Å |
| 2138 | C | 93 | Very high | 88.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 131.6 | 169.4 | -173.3 | 0 | 0 | 0 | 0 | 109 | F2065 F2069 V2097 E2098 W2099 S2148 L2149 | F2065-C2138 HydrophobicContact CE1-CB 4.39Å; F2065-C2138 HydrophobicContact CZ-CB 4.19Å; F2069-C2138 HydrophobicContact CE2-CB 4.01Å; F2069-C2138 HydrophobicContact CZ-CB 3.66Å; V2097-C2138 WeakPolarHBondContact CG1-SG 3.38Å; E2098-C2138 CarbonylContact O-C 3.46Å; E2098-C2138 WeakPolarHBondContact O-CA 3.42Å; W2099-C2138 HydrophobicContact CD2-CB 3.95Å; W2099-C2138 HydrophobicContact CE3-CB 3.88Å; W2099-C2138 HydrophobicContact CH2-CB 3.86Å; W2099-C2138 HydrophobicContact CZ2-CB 3.85Å; W2099-C2138 HydrophobicContact CZ3-CB 3.85Å; C2138-S2148 CarbonylContact O-C 3.52Å; C2138-S2148 WeakPolarHBondContact O-CA 3.21Å; C2138-S2148 WeakPolarHBondContact O-CB 3.41Å; C2138-L2149 PolarHBondContact N-O 2.92Å; C2138-L2149 PolarHBondContact O-N 2.91Å |
| 2139 | V | 93.1 | Very high | 89 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 119.3 | -176.8 | 173.7 | 0 | 0 | 0 | 0 | 108.5 | V2097 E2098 L2100 T2137 R2146 D2147 | V2097-V2139 CarbonylContact C-O 3.51Å; V2097-V2139 VanDerWaalsContact CA-O 3.27Å; V2097-V2139 WeakPolarHBondContact CA-O 3.37Å; E2098-V2139 HydrophobicContact CB-CB 4.39Å; E2098-V2139 PolarHBondContact N-O 3.05Å; E2098-V2139 WeakPolarHBondContact O-CB 3.27Å; E2098-V2139 PolarHBondContact O-N 3.04Å; L2100-V2139 HydrophobicContact CD1-CB 4.16Å; L2100-V2139 HydrophobicContact CD1-CG2 3.65Å; L2100-V2139 VanDerWaalsContact CD1-CG2 3.4Å; L2100-V2139 HydrophobicContact CG-CG2 4.36Å; T2137-V2139 HydrophobicContact CG2-CG2 4.13Å; V2139-R2146 HydrophobicContact CG1-CG 4Å; V2139-R2146 VanDerWaalsContact CG1-CZ 3.46Å; V2139-R2146 VanDerWaalsContact CG1-NH2 3.31Å; V2139-D2147 WeakPolarHBondContact CA-O 3.47Å |
| 2140 | A | 91.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 131.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | P2063 F2065 L2087 M2095 K2096 V2097 R2146 D2147 | P2063-A2140 HydrophobicContact CB-CB 3.93Å; P2063-A2140 HydrophobicContact CG-CB 4.38Å; P2063-A2140 WeakPolarHBondContact CG-O 3.34Å; F2065-A2140 HydrophobicContact CE2-CB 3.91Å; F2065-A2140 HydrophobicContact CZ-CB 3.81Å; L2087-A2140 HydrophobicContact CD1-CB 3.57Å; L2087-A2140 VanDerWaalsContact CD1-CB 3.45Å; L2087-A2140 HydrophobicContact CD2-CB 3.57Å; L2087-A2140 HydrophobicContact CG-CB 4.21Å; M2095-A2140 HydrophobicContact SD-CB 4.2Å; K2096-A2140 CarbonylContact O-C 3.53Å; K2096-A2140 WeakPolarHBondContact O-CA 3.36Å; V2097-A2140 HydrophobicContact CG2-CB 4.32Å; A2140-R2146 CarbonylContact O-C 3.5Å; A2140-R2146 VanDerWaalsContact O-CA 3.23Å; A2140-R2146 WeakPolarHBondContact O-CA 3.3Å; A2140-R2146 WeakPolarHBondContact O-CB 3.32Å; A2140-R2146 WeakPolarHBondContact O-CG 3.37Å; A2140-D2147 PolarHBondContact N-O 2.96Å; A2140-D2147 PolarHBondContact O-N 3.03Å; A2140-D2147 VanDerWaalsContact O-O 3.11Å |
| 2141 | T | 91 | Very high | 89.9 | Confident | 47 Ų | 47 | 41.7 Ų | 41.7 | 29% | 0.288 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 128.6 | 179.7 | -53.2 | 0 | 0 | 0 | 0 | 109.8 | M2095 K2096 G2145 R2146 | M2095-T2141 CarbonylContact C-O 3.51Å; M2095-T2141 WeakPolarHBondContact CA-O 3.35Å; K2096-T2141 PolarHBondContact N-O 2.98Å; K2096-T2141 PolarHBondContact O-N 3.14Å; T2141-G2145 CarbonylContact C-O 3.56Å; T2141-G2145 WeakPolarHBondContact CA-O 3.4Å; T2141-R2146 HydrophobicContact CG2-CB 4.16Å; T2141-R2146 WeakPolarHBondContact OG1-CB 3.3Å; T2141-R2146 WeakPolarHBondContact OG1-CG 3.39Å |
| 2142 | N | 88.1 | Confident | 90.2 | Very high | 12.2 Ų | 12.2 | 40.5 Ų | 40.5 | 7% | 0.065 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | -174.2 | 170.1 | 75.4 | -1.5 | 0 | 0 | 0 | 110.8 | E2061 P2063 D2092 M2095 S2144 G2145 | E2061-N2142 PolarHBondContact O-ND2 3.01Å; P2063-N2142 VanDerWaalsContact CD-CG 3.45Å; P2063-N2142 VanDerWaalsContact CD-OD1 3.28Å; P2063-N2142 WeakPolarHBondContact CD-OD1 3.28Å; P2063-N2142 HydrophobicContact CG-CB 4.09Å; D2092-N2142 VanDerWaalsContact OD2-CB 3.25Å; D2092-N2142 WeakPolarHBondContact OD2-CB 3.35Å; D2092-N2142 VanDerWaalsContact OD2-CG 3.32Å; D2092-N2142 PolarHBondContact OD2-ND2 3.19Å; M2095-N2142 HydrophobicContact CE-CB 4.1Å; M2095-N2142 HydrophobicContact SD-CB 3.95Å; N2142-S2144 PolarHBondContact O-N 2.95Å; N2142-S2144 VanDerWaalsContact O-N 3.14Å; N2142-S2144 WeakPolarHBondContact OD1-CA 3.27Å; N2142-S2144 WeakPolarHBondContact OD1-CB 3.25Å; N2142-S2144 PolarHBondContact OD1-N 3.16Å; N2142-G2145 PolarHBondContact N-O 2.96Å; N2142-G2145 PolarHBondContact O-N 3.14Å; N2142-G2145 VanDerWaalsContact O-O 3.11Å; N2142-G2145 PolarHBondContact OD1-N 3.24Å; N2142-G2145 PolarHBondContact OD1-O 3.09Å |
| 2143 | A | 81.6 | Confident | 90.2 | Very high | 79 Ų | 79 | 40.3 Ų | 40.3 | 65% | 0.653 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -22.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | P2060 T2094 | P2060-A2143 HydrophobicContact CG-CB 4.35Å; T2094-A2143 HydrophobicContact CG2-CB 4.08Å; T2094-A2143 WeakPolarHBondContact OG1-CB 3.35Å; T2094-A2143 PolarHBondContact OG1-N 2.92Å; T2094-A2143 VanDerWaalsContact OG1-N 3.1Å |
| 2144 | S | 82.6 | Confident | 90.1 | Very high | 53.6 Ų | 53.6 | 44.6 Ų | 44.6 | 38% | 0.375 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -15.8 | -175.9 | -71.7 | 0 | 0 | 0 | 0 | 114.6 | P2060 N2142 | P2060-S2144 WeakPolarHBondContact CG-OG 3.37Å; P2060-S2144 VanDerWaalsContact O-CB 3.26Å; P2060-S2144 WeakPolarHBondContact O-CB 3.35Å; P2060-S2144 PolarHBondContact O-OG 2.99Å; N2142-S2144 PolarHBondContact O-N 2.95Å; N2142-S2144 VanDerWaalsContact O-N 3.14Å; N2142-S2144 WeakPolarHBondContact OD1-CA 3.27Å; N2142-S2144 WeakPolarHBondContact OD1-CB 3.25Å; N2142-S2144 PolarHBondContact OD1-N 3.16Å |
| 2145 | G | 87.3 | Confident | 89.8 | Confident | 26 Ų | 26 | 44.3 Ų | 44.3 | 27% | 0.268 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 171 | -167.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P2063 T2141 N2142 | P2063-G2145 WeakPolarHBondContact CD-O 3.35Å; T2141-G2145 CarbonylContact C-O 3.56Å; T2141-G2145 WeakPolarHBondContact CA-O 3.4Å; N2142-G2145 PolarHBondContact N-O 2.96Å; N2142-G2145 PolarHBondContact O-N 3.14Å; N2142-G2145 VanDerWaalsContact O-O 3.11Å; N2142-G2145 PolarHBondContact OD1-N 3.24Å; N2142-G2145 PolarHBondContact OD1-O 3.09Å |
| 2146 | R | 92.1 | Very high | 89 | Confident | 158.4 Ų | 158.4 | 43.5 Ų | 43.5 | 60% | 0.598 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 143.3 | 178.4 | 158.3 | 178.4 | 177.6 | 166.8 | 6.4 | 109.8 | V2139 A2140 T2141 | V2139-R2146 HydrophobicContact CG1-CG 4Å; V2139-R2146 VanDerWaalsContact CG1-CZ 3.46Å; V2139-R2146 VanDerWaalsContact CG1-NH2 3.31Å; A2140-R2146 CarbonylContact O-C 3.5Å; A2140-R2146 VanDerWaalsContact O-CA 3.23Å; A2140-R2146 WeakPolarHBondContact O-CA 3.3Å; A2140-R2146 WeakPolarHBondContact O-CB 3.32Å; A2140-R2146 WeakPolarHBondContact O-CG 3.37Å; T2141-R2146 HydrophobicContact CG2-CB 4.16Å; T2141-R2146 WeakPolarHBondContact OG1-CB 3.3Å; T2141-R2146 WeakPolarHBondContact OG1-CG 3.39Å |
| 2147 | D | 92.9 | Very high | 87.4 | Confident | 52.4 Ų | 52.4 | 46.7 Ų | 46.7 | 28% | 0.28 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 162.2 | 168.9 | -167.9 | 19.1 | 0 | 0 | 0 | 109.5 | P2063 K2064 F2065 V2139 A2140 | P2063-D2147 HydrophobicContact CB-CB 4.35Å; P2063-D2147 HydrophobicContact CG-CB 4.23Å; P2063-D2147 VanDerWaalsContact O-CB 3.24Å; P2063-D2147 WeakPolarHBondContact O-CB 3.36Å; K2064-D2147 VanDerWaalsContact CA-OD2 3.32Å; K2064-D2147 WeakPolarHBondContact CA-OD2 3.38Å; F2065-D2147 HydrophobicContact CD2-CB 4.16Å; F2065-D2147 WeakPolarHBondContact CD2-OD2 3.33Å; F2065-D2147 HydrophobicContact CE2-CB 4.3Å; F2065-D2147 PolarHBondContact N-OD2 3.11Å; V2139-D2147 WeakPolarHBondContact CA-O 3.47Å; A2140-D2147 PolarHBondContact N-O 2.96Å; A2140-D2147 PolarHBondContact O-N 3.03Å; A2140-D2147 VanDerWaalsContact O-O 3.11Å |
| 2148 | S | 92.6 | Very high | 85.5 | Confident | 61.2 Ų | 61.2 | 52.1 Ų | 52.1 | 43% | 0.428 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 131.6 | 179.7 | 60.8 | 0 | 0 | 0 | 0 | 112.6 | C2138 | C2138-S2148 CarbonylContact O-C 3.52Å; C2138-S2148 WeakPolarHBondContact O-CA 3.21Å; C2138-S2148 WeakPolarHBondContact O-CB 3.41Å |
| 2149 | L | 92.5 | Very high | 83.2 | Confident | 22 Ų | 22 | 61.7 Ų | 61.7 | 12% | 0.115 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 139 | 174.7 | -174.1 | 63.9 | 0 | 0 | 0 | 110.1 | F2065 G2067 Q2068 F2069 S2085 T2137 C2138 | F2065-L2149 HydrophobicContact CB-CB 4.24Å; F2065-L2149 HydrophobicContact CB-CD2 4.38Å; F2065-L2149 HydrophobicContact CD1-CB 4.03Å; F2065-L2149 HydrophobicContact CD1-CD2 4.16Å; F2065-L2149 HydrophobicContact CD2-CB 3.85Å; F2065-L2149 HydrophobicContact CE1-CB 4.3Å; F2065-L2149 HydrophobicContact CE2-CB 4.16Å; F2065-L2149 HydrophobicContact CG-CB 3.79Å; F2065-L2149 HydrophobicContact CG-CD2 4.34Å; F2065-L2149 HydrophobicContact CZ-CB 4.33Å; G2067-L2149 VanDerWaalsContact O-CD2 3.23Å; G2067-L2149 WeakPolarHBondContact O-CD2 3.32Å; Q2068-L2149 HydrophobicContact CB-CD1 4.43Å; Q2068-L2149 HydrophobicContact CG-CD1 4.29Å; F2069-L2149 HydrophobicContact CD1-CD2 4.07Å; F2069-L2149 HydrophobicContact CD2-CD2 3.82Å; F2069-L2149 HydrophobicContact CD2-CG 3.79Å; F2069-L2149 HydrophobicContact CE1-CD2 3.89Å; F2069-L2149 HydrophobicContact CE2-CB 3.94Å; F2069-L2149 HydrophobicContact CE2-CD2 3.64Å; F2069-L2149 HydrophobicContact CE2-CG 3.6Å; F2069-L2149 HydrophobicContact CG-CD2 4.04Å; F2069-L2149 HydrophobicContact CG-CG 4.39Å; F2069-L2149 HydrophobicContact CZ-CB 4.29Å; F2069-L2149 HydrophobicContact CZ-CD2 3.66Å; F2069-L2149 HydrophobicContact CZ-CG 4.1Å; S2085-L2149 VanDerWaalsContact OG-CD2 3.22Å; S2085-L2149 WeakPolarHBondContact OG-CD2 3.35Å; T2137-L2149 CarbonylContact C-O 3.53Å; T2137-L2149 VanDerWaalsContact CA-O 3.27Å; T2137-L2149 WeakPolarHBondContact CA-O 3.35Å; T2137-L2149 WeakPolarHBondContact CG2-O 3.33Å; C2138-L2149 PolarHBondContact N-O 2.92Å; C2138-L2149 PolarHBondContact O-N 2.91Å |
| 2150 | C | 91.5 | Very high | 80.6 | Confident | 54.2 Ų | 54.2 | 66.1 Ų | 66.1 | 37% | 0.366 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 141.3 | -170.2 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | Q2135 Y2136 T2137 | Q2135-C2150 VanDerWaalsContact CD-SG 3.51Å; Q2135-C2150 WeakPolarHBondContact CG-SG 3.21Å; Q2135-C2150 PolarHBondContact NE2-SG 3.17Å; Y2136-C2150 CarbonylContact O-C 3.55Å; Y2136-C2150 VanDerWaalsContact O-CA 3.31Å; Y2136-C2150 WeakPolarHBondContact O-CA 3.38Å; Y2136-C2150 PolarHBondContact O-SG 3.14Å; T2137-C2150 HydrophobicContact CG2-CB 4.14Å; T2137-C2150 PolarHBondContact OG1-SG 3.14Å |
| 2151 | V | 91.5 | Very high | 78.2 | Confident | 23.4 Ų | 23.4 | 71.9 Ų | 71.9 | 14% | 0.142 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 151.5 | 176.8 | 71.2 | 0 | 0 | 0 | 0 | 111.2 | F2069 I2071 L2083 Q2135 Y2136 | F2069-V2151 HydrophobicContact CB-CB 3.89Å; F2069-V2151 HydrophobicContact CB-CG1 3.92Å; F2069-V2151 HydrophobicContact CB-CG2 4.09Å; F2069-V2151 HydrophobicContact CD2-CB 3.9Å; F2069-V2151 HydrophobicContact CD2-CG1 3.7Å; F2069-V2151 HydrophobicContact CG-CB 4.36Å; F2069-V2151 HydrophobicContact CG-CG1 4.14Å; I2071-V2151 HydrophobicContact CD1-CB 4.22Å; I2071-V2151 HydrophobicContact CD1-CG1 3.88Å; I2071-V2151 HydrophobicContact CD1-CG2 3.34Å; I2071-V2151 VanDerWaalsContact CD1-CG2 3.46Å; I2071-V2151 HydrophobicContact CG1-CG2 3.84Å; L2083-V2151 HydrophobicContact CD1-CG1 3.93Å; L2083-V2151 HydrophobicContact CD2-CG1 4.2Å; Q2135-V2151 CarbonylContact C-O 3.54Å; Q2135-V2151 WeakPolarHBondContact CA-O 3.39Å; Y2136-V2151 PolarHBondContact N-O 2.96Å; Y2136-V2151 PolarHBondContact O-N 2.98Å |
| 2152 | S | 89.1 | Confident | 75.8 | Confident | 87.4 Ų | 87.4 | 79.7 Ų | 79.7 | 61% | 0.611 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 120.6 | 178 | -62.1 | 0 | 0 | 0 | 0 | 110.1 | G2134 | G2134-S2152 WeakPolarHBondContact O-CA 3.45Å |
| 2153 | L | 87.4 | Confident | 73.8 | Confident | 5 Ų | 5 | 85.6 Ų | 85.6 | 3% | 0.026 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 130.7 | 178.7 | -173 | 155.7 | 0 | 0 | 0 | 109.2 | I2071 L2075 V2081 I2125 V2128 S2133 G2134 Y2136 C2155 | I2071-L2153 HydrophobicContact CD1-CB 4.26Å; L2075-L2153 HydrophobicContact CD1-CD1 4.22Å; L2075-L2153 HydrophobicContact CD1-CD2 4.18Å; L2075-L2153 HydrophobicContact CD1-CG 3.77Å; V2081-L2153 HydrophobicContact CB-CD1 4.22Å; V2081-L2153 HydrophobicContact CG1-CD1 3.94Å; V2081-L2153 HydrophobicContact CG2-CD1 4Å; I2125-L2153 HydrophobicContact CD1-CD1 3.83Å; V2128-L2153 HydrophobicContact CG1-CD2 3.94Å; S2133-L2153 CarbonylContact C-O 3.58Å; S2133-L2153 VanDerWaalsContact CA-O 3.3Å; S2133-L2153 WeakPolarHBondContact CA-O 3.31Å; G2134-L2153 PolarHBondContact N-O 3.06Å; G2134-L2153 PolarHBondContact O-N 2.97Å; Y2136-L2153 HydrophobicContact CD2-CB 4.01Å; Y2136-L2153 HydrophobicContact CD2-CD1 4.35Å; Y2136-L2153 HydrophobicContact CE2-CB 3.92Å; Y2136-L2153 HydrophobicContact CE2-CD1 4.07Å; Y2136-L2153 HydrophobicContact CE2-CG 4.38Å; L2153-C2155 HydrophobicContact CD2-CB 4.43Å |
| 2154 | L | 85.7 | Confident | 71.8 | Confident | 122.6 Ų | 122.6 | 88.5 Ų | 88.5 | 64% | 0.642 | 47% | 0.47 | S | S | * | . | trans | -127.9 | 112.3 | 176.6 | -179.1 | 67.3 | 0 | 0 | 0 | 109.6 | ||||
| 2155 | C | 82.4 | Confident | 69.8 | Low | 8.2 Ų | 8.2 | 89.8 Ų | 89.8 | 6% | 0.055 | 48% | 0.477 | C | S | . | . | trans | -95.1 | 124.4 | 175.2 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | L2075 R2076 E2077 V2128 S2133 L2153 S2157 | L2075-C2155 CarbonylContact O-C 3.48Å; L2075-C2155 WeakPolarHBondContact O-CA 3.24Å; R2076-C2155 VanDerWaalsContact C-SG 3.57Å; R2076-C2155 PolarHBondContact O-SG 3.02Å; R2076-C2155 VanDerWaalsContact O-SG 3.33Å; E2077-C2155 VanDerWaalsContact CG-SG 3.58Å; E2077-C2155 PolarHBondContact N-SG 3.03Å; E2077-C2155 VanDerWaalsContact N-SG 3.41Å; V2128-C2155 HydrophobicContact CG1-CB 3.73Å; S2133-C2155 WeakPolarHBondContact OG-CB 3.3Å; S2133-C2155 PolarHBondContact OG-N 3.14Å; L2153-C2155 HydrophobicContact CD2-CB 4.43Å; C2155-S2157 PolarHBondContact O-N 2.79Å | ||
| 2156 | N | 75.3 | Confident | 68.1 | Low | 74.8 Ų | 74.8 | 95.5 Ų | 95.5 | 40% | 0.4 | 50% | 0.5 | S | S | . | . | B | Isolated β-bridge | trans | -85.5 | 107.6 | 178.6 | -70.7 | -31.5 | 0 | 0 | 0 | 110.4 | L2075 E2158 | L2075-N2156 WeakPolarHBondContact O-CB 3.42Å; L2075-N2156 PolarHBondContact O-N 2.89Å; N2156-E2158 PolarHBondContact O-N 2.99Å |
| 2157 | S | 60.6 | Low | 66 | Low | 67.6 Ų | 67.6 | 94 Ų | 94 | 47% | 0.473 | 50% | 0.498 | S | S | . | . | trans | -74 | 117.4 | 172.2 | 67.5 | 0 | 0 | 0 | 0 | 111 | C2155 K2159 | C2155-S2157 PolarHBondContact O-N 2.79Å; S2157-K2159 PolarHBondContact O-N 3.04Å | ||
| 2158 | E | 52.9 | Low | 64 | Low | 136.6 Ų | 136.6 | 95.4 Ų | 95.4 | 64% | 0.638 | 51% | 0.512 | S | S | * | . | trans | -76.2 | 117.9 | 168.2 | -74.5 | -163.8 | 175.7 | 0 | 0 | 109.5 | R2076 N2156 S2160 | R2076-E2158 IonicContact CZ-OE1 3.34Å; R2076-E2158 IonicContact CZ-OE2 2.81Å; R2076-E2158 IonicContact NE-OE1 3.79Å; R2076-E2158 IonicContact NH1-OE1 3.05Å; R2076-E2158 PolarHBondContact NH1-OE1 3.27Å; R2076-E2158 IonicContact NH1-OE2 3.22Å; R2076-E2158 PolarHBondContact NH1-OE2 2.91Å; R2076-E2158 IonicContact NH2-OE1 2.94Å; R2076-E2158 PolarHBondContact NH2-OE1 3.19Å; R2076-E2158 IonicContact NH2-OE2 2.65Å; N2156-E2158 PolarHBondContact O-N 2.99Å; E2158-S2160 PolarHBondContact O-N 2.87Å | ||
| 2159 | K | 44.5 | Very low | 62.3 | Low | 200.8 Ų | 200.8 | 98.6 Ų | 98.6 | 87% | 0.873 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 77.1 | -178.6 | -69.2 | -178.3 | 176.4 | -179.8 | 0 | 112.3 | S2157 R2567 | S2157-K2159 PolarHBondContact O-N 3.04Å; K2159-R2567 PolarHBondContact O-NH2 3.17Å |
| 2160 | S | 40.2 | Very low | 60.4 | Low | 94.8 Ų | 94.8 | 104.2 Ų | 104.2 | 66% | 0.663 | 55% | 0.548 | S | S | * | . | trans | -127.7 | 8.7 | 171.9 | 164 | 0 | 0 | 0 | 0 | 114.7 | E2158 | E2158-S2160 PolarHBondContact O-N 2.87Š| ||
| 2161 | I | 39.9 | Very low | 58.6 | Low | 121.8 Ų | 121.8 | 103.5 Ų | 103.5 | 63% | 0.625 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -123.3 | 110.5 | 175.6 | -50.8 | 178.4 | 0 | 0 | 0 | 110.6 | E2077 L2163 | E2077-I2161 HydrophobicContact CG-CD1 4.24Å; I2161-L2163 HydrophobicContact CB-CG 4.27Å; I2161-L2163 HydrophobicContact CG2-CD2 3.87Å; I2161-L2163 HydrophobicContact CG2-CG 4.07Å; I2161-L2163 PolarHBondContact O-N 2.83Å |
| 2162 | Y | 41.6 | Very low | 57.1 | Low | 211 Ų | 211 | 105.3 Ų | 105.3 | 83% | 0.827 | 56% | 0.559 | S | S | * | * | trans | -55.9 | 88.4 | 164.3 | -76.9 | -90.9 | 0 | 0 | 0 | 110.9 | D2164 | Y2162-D2164 VanDerWaalsContact C-N 3.34Š| ||
| 2163 | L | 45.7 | Very low | 55.8 | Low | 135.8 Ų | 135.8 | 103.2 Ų | 103.2 | 71% | 0.711 | 55% | 0.547 | S | S | * | . | trans | -90.8 | 1.2 | 169.6 | -71.1 | 172.8 | 0 | 0 | 0 | 112 | I2161 P2165 | I2161-L2163 HydrophobicContact CB-CG 4.27Å; I2161-L2163 HydrophobicContact CG2-CD2 3.87Å; I2161-L2163 HydrophobicContact CG2-CG 4.07Å; I2161-L2163 PolarHBondContact O-N 2.83Å; L2163-P2165 VanDerWaalsContact O-CD 3.29Å; L2163-P2165 WeakPolarHBondContact O-CD 3.47Å; L2163-P2165 VanDerWaalsContact O-N 3.15Å | ||
| 2164 | D | 40.4 | Very low | 54.5 | Low | 140.2 Ų | 140.2 | 106.5 Ų | 106.5 | 75% | 0.75 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -70.5 | 111.6 | 168.1 | -79.6 | -31.6 | 0 | 0 | 0 | 109.1 | Y2162 I2166 | Y2162-D2164 VanDerWaalsContact C-N 3.34Å; D2164-I2166 PolarHBondContact O-N 2.85Å; D2164-I2166 VanDerWaalsContact O-N 3.1Å |
| 2165 | P | 39.5 | Very low | 53.3 | Low | 80.6 Ų | 80.6 | 107.8 Ų | 107.8 | 52% | 0.523 | 57% | 0.565 | S | S | . | * | trans | -63.1 | 119.8 | 174.6 | 10.4 | -11 | 0 | 0 | 0 | 109.6 | L2163 F2167 S2168 A2171 | L2163-P2165 VanDerWaalsContact O-CD 3.29Å; L2163-P2165 WeakPolarHBondContact O-CD 3.47Å; L2163-P2165 VanDerWaalsContact O-N 3.15Å; P2165-F2167 CarbonylContact O-C 3.54Å; P2165-F2167 VanDerWaalsContact O-C 3.28Å; P2165-F2167 PolarHBondContact O-N 3.1Å; P2165-S2168 PolarHBondContact O-N 3.22Å; P2165-A2171 HydrophobicContact CB-CB 3.54Å; P2165-A2171 VanDerWaalsContact CB-CB 3.45Å; P2165-A2171 HydrophobicContact CG-CB 3.42Å | ||
| 2166 | I | 51.3 | Low | 52.4 | Low | 147.4 Ų | 147.4 | 113.6 Ų | 113.6 | 76% | 0.756 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -49.3 | -16.5 | 179.7 | -59.2 | 171 | 0 | 0 | 0 | 111.6 | D2164 | D2164-I2166 PolarHBondContact O-N 2.85Å; D2164-I2166 VanDerWaalsContact O-N 3.1Å |
| 2167 | F | 48.6 | Very low | 51.6 | Low | 126.4 Ų | 126.4 | 115.2 Ų | 115.2 | 55% | 0.554 | 60% | 0.599 | S | S | * | * | trans | -135.1 | 87.4 | 176.3 | -60.6 | -81 | 0 | 0 | 0 | 111.7 | P2165 N2169 K2170 A2171 | P2165-F2167 CarbonylContact O-C 3.54Å; P2165-F2167 VanDerWaalsContact O-C 3.28Å; P2165-F2167 PolarHBondContact O-N 3.1Å; F2167-N2169 PolarHBondContact O-N 2.86Å; F2167-N2169 VanDerWaalsContact O-N 3.12Å; F2167-K2170 HydrophobicContact CB-CB 4Å; F2167-K2170 HydrophobicContact CB-CD 4.15Å; F2167-K2170 HydrophobicContact CB-CG 4.1Å; F2167-K2170 HydrophobicContact CD2-CD 4.34Å; F2167-K2170 HydrophobicContact CG-CD 4.26Å; F2167-K2170 HydrophobicContact CG-CG 4.5Å; F2167-K2170 WeakPolarHBondContact O-CA 3.33Å; F2167-K2170 WeakPolarHBondContact O-CB 3.48Å; F2167-K2170 PolarHBondContact O-N 3.03Å; F2167-A2171 PolarHBondContact O-N 2.94Å | ||
| 2168 | S | 51.2 | Low | 51.6 | Low | 80.8 Ų | 80.8 | 116.3 Ų | 116.3 | 57% | 0.565 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -49.1 | -29.7 | 173.7 | 101 | 0 | 0 | 0 | 0 | 113.9 | P2165 K2170 A2171 S2172 | P2165-S2168 PolarHBondContact O-N 3.22Å; S2168-K2170 VanDerWaalsContact C-N 3.3Å; S2168-K2170 PolarHBondContact O-N 2.83Å; S2168-A2171 WeakPolarHBondContact O-CB 3.34Å; S2168-A2171 PolarHBondContact O-N 3.06Å; S2168-A2171 VanDerWaalsContact O-N 3.13Å; S2168-S2172 VanDerWaalsContact O-CB 3.29Å; S2168-S2172 WeakPolarHBondContact O-CB 3.43Å; S2168-S2172 PolarHBondContact O-N 2.87Å; S2168-S2172 PolarHBondContact O-OG 2.9Å |
| 2169 | N | 56.7 | Low | 52 | Low | 128.2 Ų | 128.2 | 114.3 Ų | 114.3 | 69% | 0.686 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -71.7 | -35.3 | 178.2 | -38.2 | 0.5 | 0 | 0 | 0 | 112.4 | F2167 A2173 | F2167-N2169 PolarHBondContact O-N 2.86Å; F2167-N2169 VanDerWaalsContact O-N 3.12Å; N2169-A2173 WeakPolarHBondContact O-CB 3.44Å; N2169-A2173 PolarHBondContact O-N 2.97Å |
| 2170 | K | 51.8 | Low | 52.5 | Low | 140.6 Ų | 140.6 | 108.1 Ų | 108.1 | 61% | 0.611 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -79.3 | -34.1 | 176.6 | -69.6 | -171 | 174.4 | -170.4 | 0 | 111.6 | F2167 S2168 S2172 A2173 V2174 | F2167-K2170 HydrophobicContact CB-CB 4Å; F2167-K2170 HydrophobicContact CB-CD 4.15Å; F2167-K2170 HydrophobicContact CB-CG 4.1Å; F2167-K2170 HydrophobicContact CD2-CD 4.34Å; F2167-K2170 HydrophobicContact CG-CD 4.26Å; F2167-K2170 HydrophobicContact CG-CG 4.5Å; F2167-K2170 WeakPolarHBondContact O-CA 3.33Å; F2167-K2170 WeakPolarHBondContact O-CB 3.48Å; F2167-K2170 PolarHBondContact O-N 3.03Å; S2168-K2170 VanDerWaalsContact C-N 3.3Å; S2168-K2170 PolarHBondContact O-N 2.83Å; K2170-S2172 VanDerWaalsContact C-N 3.34Å; K2170-S2172 PolarHBondContact O-N 2.92Å; K2170-A2173 CarbonylContact O-C 3.55Å; K2170-A2173 WeakPolarHBondContact O-CA 3.37Å; K2170-A2173 WeakPolarHBondContact O-CB 3.21Å; K2170-A2173 PolarHBondContact O-N 2.98Å; K2170-A2173 VanDerWaalsContact O-N 3.09Å; K2170-V2174 VanDerWaalsContact O-CG2 3.28Å; K2170-V2174 WeakPolarHBondContact O-CG2 3.26Å; K2170-V2174 PolarHBondContact O-N 3.1Å |
| 2171 | A | 53.2 | Low | 53.1 | Low | 38.6 Ų | 38.6 | 110.4 Ų | 110.4 | 32% | 0.319 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.2 | -39.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P2165 F2167 S2168 A2173 V2174 Y2175 | P2165-A2171 HydrophobicContact CB-CB 3.54Å; P2165-A2171 VanDerWaalsContact CB-CB 3.45Å; P2165-A2171 HydrophobicContact CG-CB 3.42Å; F2167-A2171 PolarHBondContact O-N 2.94Å; S2168-A2171 WeakPolarHBondContact O-CB 3.34Å; S2168-A2171 PolarHBondContact O-N 3.06Å; S2168-A2171 VanDerWaalsContact O-N 3.13Å; A2171-A2173 VanDerWaalsContact C-N 3.28Å; A2171-A2173 PolarHBondContact O-N 3.23Å; A2171-V2174 PolarHBondContact O-N 3.17Å; A2171-Y2175 VanDerWaalsContact O-CB 3.23Å; A2171-Y2175 WeakPolarHBondContact O-CB 3.39Å; A2171-Y2175 PolarHBondContact O-N 3.07Å |
| 2172 | S | 61.2 | Low | 53.6 | Low | 61.8 Ų | 61.8 | 113.7 Ų | 113.7 | 43% | 0.432 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.4 | -34.3 | 171.4 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | S2168 K2170 Q2176 | S2168-S2172 VanDerWaalsContact O-CB 3.29Å; S2168-S2172 WeakPolarHBondContact O-CB 3.43Å; S2168-S2172 PolarHBondContact O-N 2.87Å; S2168-S2172 PolarHBondContact O-OG 2.9Å; K2170-S2172 VanDerWaalsContact C-N 3.34Å; K2170-S2172 PolarHBondContact O-N 2.92Å; S2172-Q2176 VanDerWaalsContact O-CB 3.28Å; S2172-Q2176 WeakPolarHBondContact O-CB 3.3Å; S2172-Q2176 VanDerWaalsContact O-CG 3.26Å; S2172-Q2176 WeakPolarHBondContact O-CG 3.37Å; S2172-Q2176 PolarHBondContact O-N 2.92Å |
| 2173 | A | 61 | Low | 53.4 | Low | 43.2 Ų | 43.2 | 110.2 Ų | 110.2 | 36% | 0.357 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70 | -39.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N2169 K2170 A2171 Q2176 L2177 | N2169-A2173 WeakPolarHBondContact O-CB 3.44Å; N2169-A2173 PolarHBondContact O-N 2.97Å; K2170-A2173 CarbonylContact O-C 3.55Å; K2170-A2173 WeakPolarHBondContact O-CA 3.37Å; K2170-A2173 WeakPolarHBondContact O-CB 3.21Å; K2170-A2173 PolarHBondContact O-N 2.98Å; K2170-A2173 VanDerWaalsContact O-N 3.09Å; A2171-A2173 VanDerWaalsContact C-N 3.28Å; A2171-A2173 PolarHBondContact O-N 3.23Å; A2173-Q2176 PolarHBondContact O-N 2.85Å; A2173-L2177 VanDerWaalsContact O-CB 3.29Å; A2173-L2177 WeakPolarHBondContact O-CB 3.34Å; A2173-L2177 WeakPolarHBondContact O-CD1 3.27Å; A2173-L2177 VanDerWaalsContact O-CG 3.27Å; A2173-L2177 WeakPolarHBondContact O-CG 3.39Å; A2173-L2177 PolarHBondContact O-N 2.84Å |
| 2174 | V | 60 | Low | 52.9 | Low | 74.4 Ų | 74.4 | 112.7 Ų | 112.7 | 45% | 0.451 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.2 | -43.5 | 173.9 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | K2170 A2171 Q2176 L2177 E2178 | K2170-V2174 VanDerWaalsContact O-CG2 3.28Å; K2170-V2174 WeakPolarHBondContact O-CG2 3.26Å; K2170-V2174 PolarHBondContact O-N 3.1Å; A2171-V2174 PolarHBondContact O-N 3.17Å; V2174-Q2176 VanDerWaalsContact C-N 3.33Å; V2174-Q2176 PolarHBondContact O-N 3.17Å; V2174-L2177 CarbonylContact O-C 3.47Å; V2174-L2177 WeakPolarHBondContact O-CA 3.23Å; V2174-L2177 WeakPolarHBondContact O-CB 3.21Å; V2174-L2177 PolarHBondContact O-N 3.03Å; V2174-L2177 VanDerWaalsContact O-N 3.09Å; V2174-E2178 HydrophobicContact CG1-CG 4.34Å; V2174-E2178 WeakPolarHBondContact CG1-OE1 3.44Å; V2174-E2178 VanDerWaalsContact O-CB 3.32Å; V2174-E2178 WeakPolarHBondContact O-CB 3.27Å; V2174-E2178 WeakPolarHBondContact O-CG 3.3Å; V2174-E2178 PolarHBondContact O-N 3.01Å |
| 2175 | Y | 60.2 | Low | 52.7 | Low | 149.8 Ų | 149.8 | 111 Ų | 111 | 59% | 0.587 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63 | -40.5 | 175.2 | -160.6 | -88.5 | 0 | 0 | 0 | 111.5 | A2171 L2177 E2178 E2179 | A2171-Y2175 VanDerWaalsContact O-CB 3.23Å; A2171-Y2175 WeakPolarHBondContact O-CB 3.39Å; A2171-Y2175 PolarHBondContact O-N 3.07Å; Y2175-L2177 VanDerWaalsContact C-N 3.31Å; Y2175-L2177 PolarHBondContact O-N 2.81Å; Y2175-E2178 PolarHBondContact O-N 3Å; Y2175-E2179 HydrophobicContact CE1-CB 4.49Å; Y2175-E2179 VanDerWaalsContact CE1-OE2 3.32Å; Y2175-E2179 WeakPolarHBondContact CE1-OE2 3.32Å; Y2175-E2179 WeakPolarHBondContact O-CA 3.33Å; Y2175-E2179 VanDerWaalsContact O-CB 3.23Å; Y2175-E2179 WeakPolarHBondContact O-CB 3.31Å; Y2175-E2179 PolarHBondContact O-N 2.97Å |
| 2176 | Q | 64.9 | Low | 52.4 | Low | 130.8 Ų | 130.8 | 116.3 Ų | 116.3 | 61% | 0.611 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.9 | -34.2 | 173.2 | -76.8 | 175.6 | 6.9 | 0 | 0 | 112.7 | S2172 A2173 V2174 S2180 | S2172-Q2176 VanDerWaalsContact O-CB 3.28Å; S2172-Q2176 WeakPolarHBondContact O-CB 3.3Å; S2172-Q2176 VanDerWaalsContact O-CG 3.26Å; S2172-Q2176 WeakPolarHBondContact O-CG 3.37Å; S2172-Q2176 PolarHBondContact O-N 2.92Å; A2173-Q2176 PolarHBondContact O-N 2.85Å; V2174-Q2176 VanDerWaalsContact C-N 3.33Å; V2174-Q2176 PolarHBondContact O-N 3.17Å; Q2176-S2180 WeakPolarHBondContact O-CB 3.3Å; Q2176-S2180 PolarHBondContact O-N 2.8Å; Q2176-S2180 PolarHBondContact O-OG 3.08Å |
| 2177 | L | 58.9 | Low | 51.7 | Low | 107.2 Ų | 107.2 | 115.8 Ų | 115.8 | 56% | 0.561 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68 | -45.7 | 173.4 | -89.2 | 155.3 | 0 | 0 | 0 | 111.1 | A2173 V2174 Y2175 E2179 S2180 L2181 | A2173-L2177 VanDerWaalsContact O-CB 3.29Å; A2173-L2177 WeakPolarHBondContact O-CB 3.34Å; A2173-L2177 WeakPolarHBondContact O-CD1 3.27Å; A2173-L2177 VanDerWaalsContact O-CG 3.27Å; A2173-L2177 WeakPolarHBondContact O-CG 3.39Å; A2173-L2177 PolarHBondContact O-N 2.84Å; V2174-L2177 CarbonylContact O-C 3.47Å; V2174-L2177 WeakPolarHBondContact O-CA 3.23Å; V2174-L2177 WeakPolarHBondContact O-CB 3.21Å; V2174-L2177 PolarHBondContact O-N 3.03Å; V2174-L2177 VanDerWaalsContact O-N 3.09Å; Y2175-L2177 VanDerWaalsContact C-N 3.31Å; Y2175-L2177 PolarHBondContact O-N 2.81Å; L2177-E2179 PolarHBondContact O-N 3.04Å; L2177-S2180 WeakPolarHBondContact CA-OG 3.28Å; L2177-S2180 CarbonylContact O-C 3.36Å; L2177-S2180 PolarHBondContact O-N 2.96Å; L2177-S2180 VanDerWaalsContact O-N 3.12Å; L2177-S2180 PolarHBondContact O-OG 2.86Å; L2177-S2180 VanDerWaalsContact O-OG 3.12Å; L2177-L2181 WeakPolarHBondContact O-CB 3.35Å; L2177-L2181 WeakPolarHBondContact O-CD1 3.38Å; L2177-L2181 VanDerWaalsContact O-CG 3.24Å; L2177-L2181 WeakPolarHBondContact O-CG 3.36Å; L2177-L2181 PolarHBondContact O-N 3.21Å; L2177-L2181 VanDerWaalsContact O-N 3.13Å |
| 2178 | E | 60.7 | Low | 51.2 | Low | 91.6 Ų | 91.6 | 115.1 Ų | 115.1 | 43% | 0.428 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.1 | -37.6 | 176.5 | -72.3 | 179.6 | -177.6 | 0 | 0 | 112.1 | V2174 Y2175 L2181 R2182 | V2174-E2178 HydrophobicContact CG1-CG 4.34Å; V2174-E2178 WeakPolarHBondContact CG1-OE1 3.44Å; V2174-E2178 VanDerWaalsContact O-CB 3.32Å; V2174-E2178 WeakPolarHBondContact O-CB 3.27Å; V2174-E2178 WeakPolarHBondContact O-CG 3.3Å; V2174-E2178 PolarHBondContact O-N 3.01Å; Y2175-E2178 PolarHBondContact O-N 3Å; E2178-L2181 CarbonylContact O-C 3.45Å; E2178-L2181 WeakPolarHBondContact O-CB 3.45Å; E2178-L2181 PolarHBondContact O-N 3.13Å; E2178-R2182 VanDerWaalsContact O-CB 3.26Å; E2178-R2182 WeakPolarHBondContact O-CB 3.08Å; E2178-R2182 VanDerWaalsContact O-CG 3.24Å; E2178-R2182 WeakPolarHBondContact O-CG 3.33Å; E2178-R2182 PolarHBondContact O-N 3.2Å; E2178-R2182 VanDerWaalsContact O-N 3.11Å; E2178-R2182 IonicContact OE2-NH2 3.3Å; E2178-R2182 PolarHBondContact OE2-NH2 3.46Å |
| 2179 | E | 60.4 | Low | 50.5 | Low | 94.8 Ų | 94.8 | 118.2 Ų | 118.2 | 44% | 0.443 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.4 | -36.2 | 174.9 | -168.5 | 168.6 | -152.9 | 0 | 0 | 111.5 | Y2175 L2177 L2181 R2182 Q2183 | Y2175-E2179 HydrophobicContact CE1-CB 4.49Å; Y2175-E2179 VanDerWaalsContact CE1-OE2 3.32Å; Y2175-E2179 WeakPolarHBondContact CE1-OE2 3.32Å; Y2175-E2179 WeakPolarHBondContact O-CA 3.33Å; Y2175-E2179 VanDerWaalsContact O-CB 3.23Å; Y2175-E2179 WeakPolarHBondContact O-CB 3.31Å; Y2175-E2179 PolarHBondContact O-N 2.97Å; L2177-E2179 PolarHBondContact O-N 3.04Å; E2179-L2181 VanDerWaalsContact C-N 3.31Å; E2179-L2181 PolarHBondContact O-N 3.21Å; E2179-R2182 WeakPolarHBondContact O-CA 3.48Å; E2179-R2182 WeakPolarHBondContact O-CB 3.3Å; E2179-R2182 PolarHBondContact O-N 2.98Å; E2179-Q2183 VanDerWaalsContact O-CB 3.27Å; E2179-Q2183 WeakPolarHBondContact O-CB 3.39Å; E2179-Q2183 VanDerWaalsContact O-CG 3.26Å; E2179-Q2183 WeakPolarHBondContact O-CG 3.26Å; E2179-Q2183 PolarHBondContact O-N 3.03Å; E2179-Q2183 VanDerWaalsContact O-N 3.14Å |
| 2180 | S | 55.3 | Low | 49.6 | Very low | 70.6 Ų | 70.6 | 115.6 Ų | 115.6 | 49% | 0.494 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.5 | -27 | 172.6 | 51 | 0 | 0 | 0 | 0 | 113.4 | Q2176 L2177 R2182 Q2183 | Q2176-S2180 WeakPolarHBondContact O-CB 3.3Å; Q2176-S2180 PolarHBondContact O-N 2.8Å; Q2176-S2180 PolarHBondContact O-OG 3.08Å; L2177-S2180 WeakPolarHBondContact CA-OG 3.28Å; L2177-S2180 CarbonylContact O-C 3.36Å; L2177-S2180 PolarHBondContact O-N 2.96Å; L2177-S2180 VanDerWaalsContact O-N 3.12Å; L2177-S2180 PolarHBondContact O-OG 2.86Å; L2177-S2180 VanDerWaalsContact O-OG 3.12Å; S2180-R2182 VanDerWaalsContact C-N 3.34Å; S2180-Q2183 VanDerWaalsContact O-O 3.14Å |
| 2181 | L | 53.2 | Low | 49 | Very low | 142.4 Ų | 142.4 | 118 Ų | 118 | 75% | 0.746 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -76.4 | -27.5 | 171 | -74.2 | 164.1 | 0 | 0 | 0 | 112.3 | L2177 E2178 E2179 | L2177-L2181 WeakPolarHBondContact O-CB 3.35Å; L2177-L2181 WeakPolarHBondContact O-CD1 3.38Å; L2177-L2181 VanDerWaalsContact O-CG 3.24Å; L2177-L2181 WeakPolarHBondContact O-CG 3.36Å; L2177-L2181 PolarHBondContact O-N 3.21Å; L2177-L2181 VanDerWaalsContact O-N 3.13Å; E2178-L2181 CarbonylContact O-C 3.45Å; E2178-L2181 WeakPolarHBondContact O-CB 3.45Å; E2178-L2181 PolarHBondContact O-N 3.13Å; E2179-L2181 VanDerWaalsContact C-N 3.31Å; E2179-L2181 PolarHBondContact O-N 3.21Å |
| 2182 | R | 48.9 | Very low | 48.7 | Very low | 192.2 Ų | 192.2 | 122.4 Ų | 122.4 | 73% | 0.725 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -81.4 | -23.9 | 175.1 | -72.9 | 175.3 | -167.9 | -121.6 | 5.2 | 113.3 | E2178 E2179 S2180 K2184 | E2178-R2182 VanDerWaalsContact O-CB 3.26Å; E2178-R2182 WeakPolarHBondContact O-CB 3.08Å; E2178-R2182 VanDerWaalsContact O-CG 3.24Å; E2178-R2182 WeakPolarHBondContact O-CG 3.33Å; E2178-R2182 PolarHBondContact O-N 3.2Å; E2178-R2182 VanDerWaalsContact O-N 3.11Å; E2178-R2182 IonicContact OE2-NH2 3.3Å; E2178-R2182 PolarHBondContact OE2-NH2 3.46Å; E2179-R2182 WeakPolarHBondContact O-CA 3.48Å; E2179-R2182 WeakPolarHBondContact O-CB 3.3Å; E2179-R2182 PolarHBondContact O-N 2.98Å; S2180-R2182 VanDerWaalsContact C-N 3.34Å; R2182-K2184 VanDerWaalsContact C-N 3.26Å; R2182-K2184 PolarHBondContact O-N 3.06Å |
| 2183 | Q | 37.4 | Very low | 48.2 | Very low | 137 Ų | 137 | 123.6 Ų | 123.6 | 64% | 0.64 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -82.6 | 91.9 | 170.7 | -72.8 | -175.2 | 16.9 | 0 | 0 | 110 | E2179 S2180 P2185 | E2179-Q2183 VanDerWaalsContact O-CB 3.27Å; E2179-Q2183 WeakPolarHBondContact O-CB 3.39Å; E2179-Q2183 VanDerWaalsContact O-CG 3.26Å; E2179-Q2183 WeakPolarHBondContact O-CG 3.26Å; E2179-Q2183 PolarHBondContact O-N 3.03Å; E2179-Q2183 VanDerWaalsContact O-N 3.14Å; S2180-Q2183 VanDerWaalsContact O-O 3.14Å; Q2183-P2185 WeakPolarHBondContact O-CD 3.33Å; Q2183-P2185 WeakPolarHBondContact O-CG 3.2Å |
| 2184 | K | 35.8 | Very low | 48 | Very low | 188.6 Ų | 188.6 | 127.6 Ų | 127.6 | 82% | 0.82 | 66% | 0.659 | S | S | * | * | trans | -72.4 | 114.6 | 163.7 | -144.6 | 177.8 | -172.9 | 175.3 | 0 | 108.4 | R2182 E2186 | R2182-K2184 VanDerWaalsContact C-N 3.26Å; R2182-K2184 PolarHBondContact O-N 3.06Å; K2184-E2186 PolarHBondContact O-N 3.14Å | ||
| 2185 | P | 36.5 | Very low | 48.9 | Very low | 103.4 Ų | 103.4 | 126.9 Ų | 126.9 | 67% | 0.671 | 66% | 0.658 | S | S | * | * | trans | -66.1 | 132.7 | -179.2 | -15.7 | 28.7 | 0 | 0 | 0 | 109.9 | Q2183 I2187 | Q2183-P2185 WeakPolarHBondContact O-CD 3.33Å; Q2183-P2185 WeakPolarHBondContact O-CG 3.2Å; P2185-I2187 VanDerWaalsContact C-N 3.27Å; P2185-I2187 HydrophobicContact CB-CD1 4.41Å; P2185-I2187 HydrophobicContact CB-CG1 3.64Å; P2185-I2187 HydrophobicContact CG-CD1 3.89Å; P2185-I2187 HydrophobicContact CG-CG1 3.67Å; P2185-I2187 PolarHBondContact O-N 2.97Å | ||
| 2186 | E | 33.5 | Very low | 50.1 | Low | 193.4 Ų | 193.4 | 121.6 Ų | 121.6 | 90% | 0.904 | 65% | 0.645 | S | S | * | * | trans | -64.4 | 95.4 | 168.2 | -69.8 | -179.2 | 153.3 | 0 | 0 | 108.9 | K2184 P2188 | K2184-E2186 PolarHBondContact O-N 3.14Å; E2186-P2188 VanDerWaalsContact O-CD 3.25Å; E2186-P2188 WeakPolarHBondContact O-CD 3.31Å | ||
| 2187 | I | 37.1 | Very low | 51.3 | Low | 135.8 Ų | 135.8 | 115.6 Ų | 115.6 | 70% | 0.696 | 62% | 0.617 | S | S | * | * | trans | -82.8 | 125.1 | 160.9 | -60.3 | 175.9 | 0 | 0 | 0 | 106.4 | P2185 L2189 | P2185-I2187 VanDerWaalsContact C-N 3.27Å; P2185-I2187 HydrophobicContact CB-CD1 4.41Å; P2185-I2187 HydrophobicContact CB-CG1 3.64Å; P2185-I2187 HydrophobicContact CG-CD1 3.89Å; P2185-I2187 HydrophobicContact CG-CG1 3.67Å; P2185-I2187 PolarHBondContact O-N 2.97Å; I2187-L2189 VanDerWaalsContact C-N 3.28Å; I2187-L2189 PolarHBondContact O-N 2.89Å | ||
| 2188 | P | 38.4 | Very low | 52.7 | Low | 112 Ų | 112 | 114.5 Ų | 114.5 | 73% | 0.727 | 62% | 0.615 | S | S | * | * | trans | -70.8 | 122.6 | 179 | 0.9 | 11.2 | 0 | 0 | 0 | 108.4 | E2186 A2190 | E2186-P2188 VanDerWaalsContact O-CD 3.25Å; E2186-P2188 WeakPolarHBondContact O-CD 3.31Å; P2188-A2190 VanDerWaalsContact C-N 3.3Å; P2188-A2190 PolarHBondContact O-N 3.23Å | ||
| 2189 | L | 35.2 | Very low | 54.2 | Low | 145.4 Ų | 145.4 | 111.4 Ų | 111.4 | 76% | 0.761 | 60% | 0.6 | S | S | * | * | trans | -70.5 | 118.9 | -174.1 | -78.4 | 145 | 0 | 0 | 0 | 110 | I2187 E2191 | I2187-L2189 VanDerWaalsContact C-N 3.28Å; I2187-L2189 PolarHBondContact O-N 2.89Å; L2189-E2191 PolarHBondContact O-N 3.14Å; L2189-E2191 VanDerWaalsContact O-N 3.12Å | ||
| 2190 | A | 37.4 | Very low | 55.5 | Low | 74.8 Ų | 74.8 | 111 Ų | 111 | 62% | 0.618 | 60% | 0.604 | S | S | * | * | trans | -80.6 | 128.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | P2188 V2192 | P2188-A2190 VanDerWaalsContact C-N 3.3Å; P2188-A2190 PolarHBondContact O-N 3.23Å; A2190-V2192 VanDerWaalsContact C-N 3.34Å; A2190-V2192 WeakPolarHBondContact O-CG2 3.35Å; A2190-V2192 PolarHBondContact O-N 3.22Å | ||
| 2191 | E | 40 | Very low | 57.1 | Low | 190.4 Ų | 190.4 | 111.1 Ų | 111.1 | 89% | 0.89 | 60% | 0.596 | S | S | * | * | trans | -60.4 | 113.5 | -169.7 | -68.2 | 173.5 | 140.5 | 0 | 0 | 111.2 | L2189 A2193 | L2189-E2191 PolarHBondContact O-N 3.14Å; L2189-E2191 VanDerWaalsContact O-N 3.12Å; E2191-A2193 VanDerWaalsContact C-N 3.34Å; E2191-A2193 PolarHBondContact O-N 2.98Å | ||
| 2192 | V | 46.6 | Very low | 58.9 | Low | 129.8 Ų | 129.8 | 107.6 Ų | 107.6 | 79% | 0.787 | 58% | 0.582 | S | S | * | * | trans | -68.4 | 106.5 | 170.1 | -179.6 | 0 | 0 | 0 | 0 | 106 | A2190 K2194 | A2190-V2192 VanDerWaalsContact C-N 3.34Å; A2190-V2192 WeakPolarHBondContact O-CG2 3.35Å; A2190-V2192 PolarHBondContact O-N 3.22Å; V2192-K2194 PolarHBondContact O-N 2.96Å | ||
| 2193 | A | 50.2 | Low | 60.9 | Low | 87.4 Ų | 87.4 | 99.1 Ų | 99.1 | 72% | 0.722 | 55% | 0.551 | S | S | * | * | trans | -57.9 | 108.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | E2191 S2195 | E2191-A2193 VanDerWaalsContact C-N 3.34Å; E2191-A2193 PolarHBondContact O-N 2.98Å; A2193-S2195 PolarHBondContact O-N 3.08Å | ||
| 2194 | K | 58.5 | Low | 63.4 | Low | 126.8 Ų | 126.8 | 99.1 Ų | 99.1 | 55% | 0.551 | 55% | 0.551 | S | S | * | * | trans | -58.4 | 121.1 | 175.5 | -61.1 | -169.3 | 175.6 | -163.8 | 0 | 108.3 | V2192 D2228 V2278 | V2192-K2194 PolarHBondContact O-N 2.96Å; K2194-D2228 IonicContact NZ-OD2 3.32Å; K2194-D2228 PolarHBondContact NZ-OD2 2.96Å; K2194-D2228 VanDerWaalsContact NZ-OD2 3.12Å; K2194-V2278 HydrophobicContact CB-CG2 3.49Å; K2194-V2278 VanDerWaalsContact CB-CG2 3.48Å; K2194-V2278 HydrophobicContact CD-CG2 4.46Å | ||
| 2195 | S | 78.3 | Confident | 65.8 | Low | 60.8 Ų | 60.8 | 95.1 Ų | 95.1 | 43% | 0.425 | 54% | 0.538 | S | S | . | . | trans | -111.1 | 147.6 | 177.5 | 53.9 | 0 | 0 | 0 | 0 | 109.7 | A2193 N2276 | A2193-S2195 PolarHBondContact O-N 3.08Å; S2195-N2276 PolarHBondContact O-ND2 3.15Å | ||
| 2196 | A | 85.4 | Confident | 68.1 | Low | 39.2 Ų | 39.2 | 91.8 Ų | 91.8 | 32% | 0.324 | 52% | 0.518 | S | S | . | . | trans | -58.7 | 147.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | V2278 | A2196-V2278 HydrophobicContact CB-CB 4.46Å; A2196-V2278 HydrophobicContact CB-CG1 4.22Å | ||
| 2197 | P | 89.4 | Confident | 70.3 | Confident | 4.2 Ų | 4.2 | 87 Ų | 87 | 3% | 0.027 | 51% | 0.505 | C | S | . | . | trans | -62.8 | 144.3 | 177.9 | 27.3 | -33.9 | 0 | 0 | 0 | 110 | T2222 L2229 A2274 N2276 G2279 A2281 | P2197-T2222 CarbonylContact C-O 3.52Å; P2197-T2222 VanDerWaalsContact CA-O 3.29Å; P2197-T2222 WeakPolarHBondContact CA-O 3.25Å; P2197-L2229 HydrophobicContact CB-CD1 3.74Å; P2197-L2229 HydrophobicContact CG-CD1 4.26Å; P2197-A2274 HydrophobicContact CB-CB 4.06Å; P2197-A2274 HydrophobicContact CG-CB 4.31Å; P2197-A2274 VanDerWaalsContact CG-O 3.28Å; P2197-A2274 WeakPolarHBondContact CG-O 3.35Å; P2197-N2276 VanDerWaalsContact CD-CG 3.46Å; P2197-N2276 VanDerWaalsContact CD-OD1 3.24Å; P2197-N2276 WeakPolarHBondContact CD-OD1 3.3Å; P2197-G2279 WeakPolarHBondContact CD-O 3.38Å; P2197-G2279 WeakPolarHBondContact CG-O 3.48Å; P2197-A2281 HydrophobicContact CB-CB 4.44Å; P2197-A2281 HydrophobicContact CG-CB 4.29Å; P2197-A2281 VanDerWaalsContact O-CB 3.22Å; P2197-A2281 WeakPolarHBondContact O-CB 3.37Å | ||
| 2198 | V | 89.5 | Confident | 72.4 | Confident | 83.8 Ų | 83.8 | 84.7 Ų | 84.7 | 51% | 0.508 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 128.6 | 176.7 | 180 | 0 | 0 | 0 | 0 | 108.4 | V2200 L2221 T2222 | V2198-V2200 PolarHBondContact O-N 2.95Å; V2198-L2221 CarbonylContact O-C 3.55Å; V2198-L2221 VanDerWaalsContact O-CA 3.27Å; V2198-L2221 WeakPolarHBondContact O-CA 3.39Å; V2198-T2222 PolarHBondContact N-O 3.05Å; V2198-T2222 PolarHBondContact O-N 2.94Å; V2198-T2222 PolarHBondContact O-OG1 2.78Å |
| 2199 | F | 90.9 | Very high | 74.7 | Confident | 27.4 Ų | 27.4 | 79.9 Ų | 79.9 | 12% | 0.12 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 108.7 | 168.7 | -70.7 | -76.2 | 0 | 0 | 0 | 109.1 | Q2201 A2219 Q2220 L2221 C2272 A2274 A2281 T2283 | F2199-Q2201 VanDerWaalsContact C-N 3.32Å; F2199-A2219 HydrophobicContact CD1-CB 3.8Å; F2199-A2219 HydrophobicContact CE1-CB 3.93Å; F2199-Q2220 CarbonylContact C-O 3.46Å; F2199-Q2220 VanDerWaalsContact CA-O 3.25Å; F2199-Q2220 WeakPolarHBondContact CA-O 3.37Å; F2199-L2221 HydrophobicContact CD1-CB 4.02Å; F2199-L2221 HydrophobicContact CD1-CD2 3.91Å; F2199-L2221 HydrophobicContact CD1-CG 4.02Å; F2199-L2221 HydrophobicContact CE1-CB 4.17Å; F2199-L2221 HydrophobicContact CE1-CD2 3.7Å; F2199-L2221 HydrophobicContact CE1-CG 3.79Å; F2199-L2221 HydrophobicContact CE2-CD2 4.17Å; F2199-L2221 HydrophobicContact CG-CD2 4.23Å; F2199-L2221 HydrophobicContact CZ-CD2 3.88Å; F2199-L2221 VanDerWaalsContact CZ-CD2 3.45Å; F2199-C2272 HydrophobicContact CE1-CB 4.48Å; F2199-C2272 HydrophobicContact CZ-CB 4.33Å; F2199-C2272 WeakPolarHBondContact CZ-O 3.23Å; F2199-A2274 HydrophobicContact CE1-CB 4.45Å; F2199-A2274 HydrophobicContact CE2-CB 4.23Å; F2199-A2274 HydrophobicContact CZ-CB 3.86Å; F2199-A2281 HydrophobicContact CD2-CB 3.87Å; F2199-A2281 HydrophobicContact CE2-CB 3.93Å; F2199-A2281 WeakPolarHBondContact CE2-O 3.38Å; F2199-T2283 HydrophobicContact CD1-CG2 3.76Å; F2199-T2283 HydrophobicContact CD2-CG2 3.79Å; F2199-T2283 HydrophobicContact CE1-CG2 3.6Å; F2199-T2283 VanDerWaalsContact CE1-CG2 3.42Å; F2199-T2283 HydrophobicContact CE2-CG2 3.65Å; F2199-T2283 HydrophobicContact CG-CG2 3.85Å; F2199-T2283 HydrophobicContact CZ-CG2 3.57Å; F2199-T2283 VanDerWaalsContact CZ-CG2 3.47Å |
| 2200 | V | 88 | Confident | 77.1 | Confident | 86.2 Ų | 86.2 | 77.6 Ų | 77.6 | 52% | 0.522 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | -38.7 | 173.7 | -172.5 | 0 | 0 | 0 | 0 | 109.8 | V2198 Q2220 T2222 | V2198-V2200 PolarHBondContact O-N 2.95Å; V2200-Q2220 PolarHBondContact N-O 2.82Å; V2200-T2222 HydrophobicContact CG2-CG2 3.57Å; V2200-T2222 VanDerWaalsContact CG2-CG2 3.42Å; V2200-T2222 VanDerWaalsContact CG2-OG1 3.3Å; V2200-T2222 WeakPolarHBondContact CG2-OG1 3.29Å |
| 2201 | Q | 89 | Confident | 79.2 | Confident | 71.6 Ų | 71.6 | 75.7 Ų | 75.7 | 34% | 0.335 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 107.2 | 170.4 | -169.3 | 172.5 | -7.9 | 0 | 0 | 107.6 | F2199 A2219 Q2220 | F2199-Q2201 VanDerWaalsContact C-N 3.32Å; Q2201-A2219 CarbonylContact O-C 3.55Å; Q2201-A2219 VanDerWaalsContact O-CA 3.28Å; Q2201-A2219 WeakPolarHBondContact O-CA 3.42Å; Q2201-A2219 WeakPolarHBondContact O-CB 3.27Å; Q2201-Q2220 HydrophobicContact CB-CB 3.74Å; Q2201-Q2220 PolarHBondContact N-O 2.88Å; Q2201-Q2220 VanDerWaalsContact N-O 3.15Å; Q2201-Q2220 PolarHBondContact O-N 2.86Å |
| 2202 | P | 90.9 | Very high | 81.1 | Confident | 70.4 Ų | 70.4 | 68.6 Ų | 68.6 | 46% | 0.457 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 166.3 | 175.4 | 31.5 | -34.3 | 0 | 0 | 0 | 110.8 | E2204 T2283 | P2202-E2204 PolarHBondContact O-N 3.38Å; P2202-T2283 WeakPolarHBondContact CA-OG1 3.27Å; P2202-T2283 VanDerWaalsContact CB-OG1 3.31Å; P2202-T2283 WeakPolarHBondContact CB-OG1 3.34Å |
| 2203 | L | 91.3 | Very high | 83 | Confident | 11.8 Ų | 11.8 | 64.5 Ų | 64.5 | 6% | 0.062 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 137.5 | 173 | -63.3 | 170.4 | 0 | 0 | 0 | 110.8 | L2217 E2218 A2219 W2233 C2272 T2283 A2285 | L2203-L2217 HydrophobicContact CD2-CB 4.11Å; L2203-E2218 WeakPolarHBondContact CD2-O 3.38Å; L2203-A2219 HydrophobicContact CD2-CB 3.72Å; L2203-A2219 HydrophobicContact CG-CB 4.04Å; L2203-W2233 HydrophobicContact CD1-CH2 4.1Å; L2203-W2233 HydrophobicContact CD1-CZ3 3.81Å; L2203-W2233 HydrophobicContact CD2-CH2 3.62Å; L2203-W2233 HydrophobicContact CD2-CZ3 4.13Å; L2203-W2233 HydrophobicContact CG-CH2 4.44Å; L2203-C2272 HydrophobicContact CD1-CB 3.86Å; L2203-C2272 HydrophobicContact CG-CB 4.44Å; L2203-T2283 HydrophobicContact CB-CG2 4.3Å; L2203-T2283 HydrophobicContact CD1-CG2 3.78Å; L2203-T2283 HydrophobicContact CG-CG2 3.59Å; L2203-T2283 PolarHBondContact N-OG1 2.9Å; L2203-A2285 HydrophobicContact CB-CB 3.76Å; L2203-A2285 HydrophobicContact CD1-CB 4.25Å |
| 2204 | E | 88.8 | Confident | 84.9 | Confident | 137 Ų | 137 | 64.2 Ų | 64.2 | 64% | 0.64 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -98.5 | 147.2 | 170.9 | -63.6 | -170.4 | 174.2 | 0 | 0 | 110.7 | P2202 L2217 A2285 | P2202-E2204 PolarHBondContact O-N 3.38Å; E2204-L2217 WeakPolarHBondContact O-CD2 3.44Å; E2204-A2285 WeakPolarHBondContact O-CB 3.26Å |
| 2205 | N | 87.9 | Confident | 86.5 | Confident | 104.6 Ų | 104.6 | 58.2 Ų | 58.2 | 56% | 0.559 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 127.5 | 174.1 | -68.1 | -22.4 | 0 | 0 | 0 | 109 | A2285 S2286 | N2205-A2285 VanDerWaalsContact OD1-CA 3.3Å; N2205-A2285 WeakPolarHBondContact OD1-CA 3.29Å; N2205-S2286 PolarHBondContact OD1-N 2.91Å |
| 2206 | P | 84.4 | Confident | 87.2 | Confident | 35.6 Ų | 35.6 | 59.6 Ų | 59.6 | 23% | 0.231 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 156.9 | 175.8 | 30.5 | -36.4 | 0 | 0 | 0 | 110.4 | L2209 L2215 L2217 V2287 | P2206-L2209 HydrophobicContact CB-CD1 4.28Å; P2206-L2209 HydrophobicContact CG-CD1 4.2Å; P2206-L2215 HydrophobicContact CB-CD1 3.85Å; P2206-L2215 HydrophobicContact CG-CD1 3.65Å; P2206-L2217 HydrophobicContact CG-CD2 4.41Å; P2206-V2287 HydrophobicContact CG-CB 4.39Å; P2206-V2287 HydrophobicContact CG-CG1 4.34Å; P2206-V2287 HydrophobicContact CG-CG2 3.99Å |
| 2207 | S | 79.3 | Confident | 87.5 | Confident | 91.6 Ų | 91.6 | 57.9 Ų | 57.9 | 64% | 0.641 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 169.7 | 167.9 | 40.9 | 0 | 0 | 0 | 0 | 111.2 | L2209 | S2207-L2209 WeakPolarHBondContact O-CG 3.44Å; S2207-L2209 PolarHBondContact O-N 2.92Å; S2207-L2209 VanDerWaalsContact O-N 3.14Å |
| 2208 | Q | 81 | Confident | 87.7 | Confident | 88.4 Ų | 88.4 | 61.5 Ų | 61.5 | 41% | 0.413 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 114.2 | -176.7 | -174.4 | 90.4 | 35 | 0 | 0 | 112 | Y2210 N2288 Q2290 | Q2208-Y2210 HydrophobicContact CG-CE2 4.28Å; Q2208-N2288 PolarHBondContact NE2-ND2 2.93Å; Q2208-N2288 PolarHBondContact NE2-O 2.99Å; Q2208-N2288 PolarHBondContact OE1-ND2 2.95Å; Q2208-N2288 VanDerWaalsContact OE1-ND2 3.15Å; Q2208-Q2290 VanDerWaalsContact NE2-CG 3.3Å; Q2208-Q2290 VanDerWaalsContact NE2-NE2 3.16Å; Q2208-Q2290 VanDerWaalsContact NE2-OE1 3.08Å |
| 2209 | L | 86.2 | Confident | 87.8 | Confident | 9.8 Ų | 9.8 | 57.6 Ų | 57.6 | 5% | 0.051 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 152.2 | -179.4 | -66.7 | 165.7 | 0 | 0 | 0 | 111.2 | P2206 S2207 D2213 L2215 V2262 V2287 N2288 C2289 Q2290 | P2206-L2209 HydrophobicContact CB-CD1 4.28Å; P2206-L2209 HydrophobicContact CG-CD1 4.2Å; S2207-L2209 WeakPolarHBondContact O-CG 3.44Å; S2207-L2209 PolarHBondContact O-N 2.92Å; S2207-L2209 VanDerWaalsContact O-N 3.14Å; L2209-D2213 HydrophobicContact CD2-CB 4.02Å; L2209-L2215 HydrophobicContact CD1-CB 4.2Å; L2209-L2215 HydrophobicContact CD1-CD1 3.82Å; L2209-V2262 HydrophobicContact CD1-CG1 4.39Å; L2209-V2262 HydrophobicContact CD1-CG2 4.42Å; L2209-V2287 HydrophobicContact CD1-CG1 3.8Å; L2209-N2288 PolarHBondContact N-O 2.99Å; L2209-C2289 HydrophobicContact CB-CB 4.17Å; L2209-C2289 CarbonylContact O-C 3.46Å; L2209-C2289 VanDerWaalsContact O-CA 3.31Å; L2209-C2289 WeakPolarHBondContact O-CA 3.33Å; L2209-Q2290 PolarHBondContact O-N 3.09Å |
| 2210 | Y | 85.2 | Confident | 87.8 | Confident | 98.8 Ų | 98.8 | 59.2 Ų | 59.2 | 39% | 0.387 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 158.2 | 170.5 | -62.2 | -85.1 | 0 | 0 | 0 | 111.5 | Q2208 G2212 D2213 Q2290 K2292 | Q2208-Y2210 HydrophobicContact CG-CE2 4.28Å; Y2210-G2212 PolarHBondContact O-N 3.04Å; Y2210-G2212 VanDerWaalsContact O-N 3.15Å; Y2210-D2213 WeakPolarHBondContact CA-OD2 3.23Å; Y2210-D2213 WeakPolarHBondContact CB-OD2 3.29Å; Y2210-D2213 PolarHBondContact N-OD2 3.08Å; Y2210-D2213 VanDerWaalsContact O-CB 3.28Å; Y2210-D2213 WeakPolarHBondContact O-CB 3.34Å; Y2210-D2213 VanDerWaalsContact O-CG 3.23Å; Y2210-D2213 PolarHBondContact O-N 2.93Å; Y2210-Q2290 CarbonylContact C-O 3.58Å; Y2210-Q2290 VanDerWaalsContact CA-O 3.23Å; Y2210-Q2290 WeakPolarHBondContact CA-O 3.34Å; Y2210-Q2290 HydrophobicContact CD1-CB 4.18Å; Y2210-Q2290 HydrophobicContact CE1-CB 4.25Å; Y2210-K2292 VanDerWaalsContact CB-CE 3.43Å; Y2210-K2292 HydrophobicContact CD1-CG 4.22Å; Y2210-K2292 HydrophobicContact CG-CG 4.29Å |
| 2211 | D | 83.2 | Confident | 87.9 | Confident | 34.4 Ų | 34.4 | 55.3 Ų | 55.3 | 18% | 0.184 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 125 | 175.4 | -75.5 | -19.2 | 0 | 0 | 0 | 111.5 | V2262 Y2263 S2264 C2289 Q2290 P2291 K2292 K2297 | D2211-V2262 CarbonylContact C-O 3.56Å; D2211-V2262 WeakPolarHBondContact CA-O 3.48Å; D2211-Y2263 WeakPolarHBondContact OD1-CA 3.31Å; D2211-S2264 WeakPolarHBondContact OD1-CB 3.42Å; D2211-S2264 PolarHBondContact OD1-N 3.14Å; D2211-C2289 PolarHBondContact N-SG 3.1Å; D2211-C2289 VanDerWaalsContact N-SG 3.45Å; D2211-Q2290 PolarHBondContact N-O 3.14Å; D2211-Q2290 VanDerWaalsContact N-O 3.14Å; D2211-P2291 VanDerWaalsContact OD2-CA 3.3Å; D2211-P2291 WeakPolarHBondContact OD2-CA 3.37Å; D2211-P2291 WeakPolarHBondContact OD2-CB 3.36Å; D2211-K2292 HydrophobicContact CB-CB 4.38Å; D2211-K2292 HydrophobicContact CB-CG 4.35Å; D2211-K2292 VanDerWaalsContact O-CD 3.23Å; D2211-K2292 WeakPolarHBondContact O-CD 3.35Å; D2211-K2292 WeakPolarHBondContact O-CE 3.31Å; D2211-K2292 WeakPolarHBondContact O-CG 3.48Å; D2211-K2292 PolarHBondContact O-NZ 2.98Å; D2211-K2292 PolarHBondContact OD2-N 3.05Å; D2211-K2297 IonicContact OD1-NZ 3.99Å; D2211-K2297 PolarHBondContact OD1-NZ 3.01Å; D2211-K2297 WeakPolarHBondContact OD2-CE 3.14Å; D2211-K2297 IonicContact OD2-NZ 3.83Å; D2211-K2297 PolarHBondContact OD2-NZ 2.81Å |
| 2212 | G | 79.5 | Confident | 87.7 | Confident | 41.8 Ų | 41.8 | 54.8 Ų | 54.8 | 43% | 0.431 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | -9.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y2210 V2262 | Y2210-G2212 PolarHBondContact O-N 3.04Å; Y2210-G2212 VanDerWaalsContact O-N 3.15Å; G2212-V2262 PolarHBondContact N-O 2.88Å |
| 2213 | D | 86.1 | Confident | 87.4 | Confident | 43.2 Ų | 43.2 | 52.9 Ų | 52.9 | 23% | 0.231 | 29% | 0.288 | C | S | . | . | trans | -73.5 | 175.2 | 176.9 | -63.6 | -10.7 | 0 | 0 | 0 | 111.2 | L2209 Y2210 P2261 V2262 K2292 | L2209-D2213 HydrophobicContact CD2-CB 4.02Å; Y2210-D2213 WeakPolarHBondContact CA-OD2 3.23Å; Y2210-D2213 WeakPolarHBondContact CB-OD2 3.29Å; Y2210-D2213 PolarHBondContact N-OD2 3.08Å; Y2210-D2213 VanDerWaalsContact O-CB 3.28Å; Y2210-D2213 WeakPolarHBondContact O-CB 3.34Å; Y2210-D2213 VanDerWaalsContact O-CG 3.23Å; Y2210-D2213 PolarHBondContact O-N 2.93Å; D2213-P2261 CarbonylContact O-C 3.57Å; D2213-P2261 WeakPolarHBondContact O-CA 3.21Å; D2213-V2262 WeakPolarHBondContact O-CB 3.34Å; D2213-V2262 VanDerWaalsContact O-CG2 3.28Å; D2213-V2262 WeakPolarHBondContact O-CG2 3.32Å; D2213-V2262 PolarHBondContact O-N 3.07Å; D2213-K2292 IonicContact OD1-NZ 3.68Å; D2213-K2292 PolarHBondContact OD1-NZ 3.07Å | ||
| 2214 | T | 88.9 | Confident | 86.8 | Confident | 80 Ų | 80 | 55.6 Ų | 55.6 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | trans | -112 | 129 | 177.2 | -47.3 | 0 | 0 | 0 | 0 | 110.2 | E2258 I2259 A2260 | T2214-E2258 HydrophobicContact CG2-CG 4.39Å; T2214-I2259 WeakPolarHBondContact CA-O 3.37Å; T2214-A2260 HydrophobicContact CG2-CB 3.89Å | ||
| 2215 | L | 92.3 | Very high | 85.9 | Confident | 1.8 Ų | 1.8 | 55.7 Ų | 55.7 | 1% | 0.009 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 130.7 | 173 | 171.5 | 73.3 | 0 | 0 | 0 | 109.2 | P2206 L2209 L2217 E2258 I2259 V2262 Y2270 V2287 | P2206-L2215 HydrophobicContact CB-CD1 3.85Å; P2206-L2215 HydrophobicContact CG-CD1 3.65Å; L2209-L2215 HydrophobicContact CD1-CB 4.2Å; L2209-L2215 HydrophobicContact CD1-CD1 3.82Å; L2215-L2217 HydrophobicContact CD1-CD1 4.33Å; L2215-L2217 HydrophobicContact CD1-CD2 4.08Å; L2215-L2217 HydrophobicContact CD1-CG 3.87Å; L2215-L2217 HydrophobicContact CD2-CD1 4.13Å; L2215-L2217 HydrophobicContact CD2-CG 4.35Å; L2215-L2217 HydrophobicContact CG-CD1 4.39Å; L2215-L2217 HydrophobicContact CG-CG 4.09Å; L2215-E2258 CarbonylContact O-C 3.5Å; L2215-E2258 VanDerWaalsContact O-CA 3.32Å; L2215-E2258 WeakPolarHBondContact O-CA 3.24Å; L2215-I2259 HydrophobicContact CB-CB 4.17Å; L2215-I2259 HydrophobicContact CD2-CB 4.36Å; L2215-I2259 HydrophobicContact CD2-CD1 3.87Å; L2215-I2259 HydrophobicContact CD2-CG1 4.09Å; L2215-I2259 PolarHBondContact N-O 3.09Å; L2215-I2259 PolarHBondContact O-N 2.92Å; L2215-V2262 HydrophobicContact CB-CG2 3.44Å; L2215-V2262 VanDerWaalsContact CB-CG2 3.45Å; L2215-V2262 VanDerWaalsContact N-CG2 3.3Å; L2215-Y2270 HydrophobicContact CD2-CE2 4.48Å; L2215-V2287 HydrophobicContact CD1-CG1 4.11Å; L2215-V2287 HydrophobicContact CD1-CG2 3.97Å; L2215-V2287 HydrophobicContact CD2-CG1 4.01Å; L2215-V2287 HydrophobicContact CD2-CG2 3.95Å |
| 2216 | H | 93 | Very high | 85.5 | Confident | 89.8 Ų | 89.8 | 51.8 Ų | 51.8 | 42% | 0.416 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 123.6 | 169.9 | -176.7 | 94.9 | 0 | 0 | 0 | 108.5 | E2218 I2256 E2258 | H2216-E2218 IonicContact NE2-OE2 3.15Å; H2216-I2256 VanDerWaalsContact CE1-CG2 3.46Å; H2216-I2256 WeakPolarHBondContact CE1-CG2 3.31Å; H2216-E2258 IonicContact CE1-OE1 3.44Å; H2216-E2258 PolarHBondContact CE1-OE1 3.29Å; H2216-E2258 WeakPolarHBondContact ND1-CG 3.36Å; H2216-E2258 IonicContact ND1-OE1 2.83Å; H2216-E2258 PolarHBondContact ND1-OE1 2.97Å |
| 2217 | L | 93 | Very high | 85.1 | Confident | 3.6 Ų | 3.6 | 55.9 Ų | 55.9 | 2% | 0.019 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 121.3 | 179.1 | -72 | -179.7 | 0 | 0 | 0 | 108.8 | L2203 E2204 P2206 L2215 W2233 I2256 L2257 Y2270 A2285 V2287 | L2203-L2217 HydrophobicContact CD2-CB 4.11Å; E2204-L2217 WeakPolarHBondContact O-CD2 3.44Å; P2206-L2217 HydrophobicContact CG-CD2 4.41Å; L2215-L2217 HydrophobicContact CD1-CD1 4.33Å; L2215-L2217 HydrophobicContact CD1-CD2 4.08Å; L2215-L2217 HydrophobicContact CD1-CG 3.87Å; L2215-L2217 HydrophobicContact CD2-CD1 4.13Å; L2215-L2217 HydrophobicContact CD2-CG 4.35Å; L2215-L2217 HydrophobicContact CG-CD1 4.39Å; L2215-L2217 HydrophobicContact CG-CG 4.09Å; L2217-W2233 HydrophobicContact CB-CH2 4.16Å; L2217-W2233 HydrophobicContact CB-CZ3 4.38Å; L2217-W2233 HydrophobicContact CD1-CZ3 4.38Å; L2217-I2256 CarbonylContact O-C 3.53Å; L2217-I2256 VanDerWaalsContact O-CA 3.31Å; L2217-I2256 WeakPolarHBondContact O-CA 3.32Å; L2217-L2257 HydrophobicContact CB-CB 4.25Å; L2217-L2257 HydrophobicContact CD1-CD2 4.17Å; L2217-L2257 PolarHBondContact N-O 3.05Å; L2217-L2257 PolarHBondContact O-N 2.94Å; L2217-Y2270 HydrophobicContact CD1-CD1 4.36Å; L2217-Y2270 HydrophobicContact CD1-CG 4.12Å; L2217-A2285 HydrophobicContact CD1-CB 4.38Å; L2217-A2285 HydrophobicContact CD2-CB 3.98Å; L2217-V2287 HydrophobicContact CD1-CG2 4.06Å |
| 2218 | E | 92.9 | Very high | 85.1 | Confident | 80.6 Ų | 80.6 | 54.9 Ų | 54.9 | 38% | 0.377 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 139.3 | -179.2 | 103 | 175.5 | -164.1 | 0 | 0 | 111.1 | L2203 H2216 F2254 A2255 I2256 | L2203-E2218 WeakPolarHBondContact CD2-O 3.38Å; H2216-E2218 IonicContact NE2-OE2 3.15Å; E2218-F2254 HydrophobicContact CG-CD1 4.45Å; E2218-F2254 WeakPolarHBondContact OE1-CD1 3.35Å; E2218-F2254 WeakPolarHBondContact OE1-CE1 3.36Å; E2218-A2255 WeakPolarHBondContact CA-O 3.4Å; E2218-I2256 HydrophobicContact CB-CG1 4.25Å; E2218-I2256 HydrophobicContact CG-CG1 4.2Å |
| 2219 | A | 91.7 | Very high | 85.3 | Confident | 1.2 Ų | 1.2 | 52.5 Ų | 52.5 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 147.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | F2199 Q2201 L2203 A2255 T2283 | F2199-A2219 HydrophobicContact CD1-CB 3.8Å; F2199-A2219 HydrophobicContact CE1-CB 3.93Å; Q2201-A2219 CarbonylContact O-C 3.55Å; Q2201-A2219 VanDerWaalsContact O-CA 3.28Å; Q2201-A2219 WeakPolarHBondContact O-CA 3.42Å; Q2201-A2219 WeakPolarHBondContact O-CB 3.27Å; L2203-A2219 HydrophobicContact CD2-CB 3.72Å; L2203-A2219 HydrophobicContact CG-CB 4.04Å; A2219-A2255 PolarHBondContact N-O 2.97Å; A2219-A2255 PolarHBondContact O-N 3.04Å; A2219-T2283 HydrophobicContact CB-CG2 4.21Å |
| 2220 | Q | 90.5 | Very high | 85.4 | Confident | 61.6 Ų | 61.6 | 59 Ų | 59 | 29% | 0.288 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 133.2 | 178 | -162.3 | -178.7 | 33.3 | 0 | 0 | 110.4 | F2199 V2200 Q2201 G2253 F2254 | F2199-Q2220 CarbonylContact C-O 3.46Å; F2199-Q2220 VanDerWaalsContact CA-O 3.25Å; F2199-Q2220 WeakPolarHBondContact CA-O 3.37Å; V2200-Q2220 PolarHBondContact N-O 2.82Å; Q2201-Q2220 HydrophobicContact CB-CB 3.74Å; Q2201-Q2220 PolarHBondContact N-O 2.88Å; Q2201-Q2220 VanDerWaalsContact N-O 3.15Å; Q2201-Q2220 PolarHBondContact O-N 2.86Å; Q2220-G2253 CarbonylContact C-O 3.53Å; Q2220-G2253 VanDerWaalsContact CA-O 3.28Å; Q2220-G2253 WeakPolarHBondContact CA-O 3.21Å; Q2220-G2253 WeakPolarHBondContact CG-O 3.45Å; Q2220-F2254 HydrophobicContact CB-CD1 4.5Å; Q2220-F2254 HydrophobicContact CB-CE1 4.47Å; Q2220-F2254 HydrophobicContact CG-CD1 4.28Å; Q2220-F2254 HydrophobicContact CG-CE1 4.19Å; Q2220-F2254 HydrophobicContact CG-CZ 4.36Å |
| 2221 | L | 89.9 | Confident | 85.7 | Confident | 3.8 Ų | 3.8 | 55.7 Ų | 55.7 | 2% | 0.02 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 147.6 | -172.6 | 39.8 | 98.5 | 0 | 0 | 0 | 112.1 | V2198 F2199 L2229 V2231 G2253 A2255 A2274 | V2198-L2221 CarbonylContact O-C 3.55Å; V2198-L2221 VanDerWaalsContact O-CA 3.27Å; V2198-L2221 WeakPolarHBondContact O-CA 3.39Å; F2199-L2221 HydrophobicContact CD1-CB 4.02Å; F2199-L2221 HydrophobicContact CD1-CD2 3.91Å; F2199-L2221 HydrophobicContact CD1-CG 4.02Å; F2199-L2221 HydrophobicContact CE1-CB 4.17Å; F2199-L2221 HydrophobicContact CE1-CD2 3.7Å; F2199-L2221 HydrophobicContact CE1-CG 3.79Å; F2199-L2221 HydrophobicContact CE2-CD2 4.17Å; F2199-L2221 HydrophobicContact CG-CD2 4.23Å; F2199-L2221 HydrophobicContact CZ-CD2 3.88Å; F2199-L2221 VanDerWaalsContact CZ-CD2 3.45Å; L2221-L2229 HydrophobicContact CD1-CD2 3.45Å; L2221-L2229 VanDerWaalsContact CD1-CD2 3.49Å; L2221-L2229 HydrophobicContact CD1-CG 4.26Å; L2221-L2229 HydrophobicContact CD2-CD2 4.45Å; L2221-V2231 HydrophobicContact CD1-CG2 4.18Å; L2221-V2231 HydrophobicContact CD2-CG2 3.72Å; L2221-G2253 WeakPolarHBondContact CB-O 3.3Å; L2221-G2253 WeakPolarHBondContact CG-O 3.21Å; L2221-G2253 PolarHBondContact N-O 3.13Å; L2221-G2253 WeakPolarHBondContact O-CA 3.33Å; L2221-A2255 HydrophobicContact CD1-CB 3.78Å; L2221-A2255 HydrophobicContact CD2-CB 4.08Å; L2221-A2274 HydrophobicContact CD2-CB 4.01Å |
| 2222 | T | 84.9 | Confident | 86.1 | Confident | 60 Ų | 60 | 58 Ų | 58 | 37% | 0.368 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 148.7 | 170.2 | 49.4 | 0 | 0 | 0 | 0 | 109.8 | P2197 V2198 V2200 T2224 | P2197-T2222 CarbonylContact C-O 3.52Å; P2197-T2222 VanDerWaalsContact CA-O 3.29Å; P2197-T2222 WeakPolarHBondContact CA-O 3.25Å; V2198-T2222 PolarHBondContact N-O 3.05Å; V2198-T2222 PolarHBondContact O-N 2.94Å; V2198-T2222 PolarHBondContact O-OG1 2.78Å; V2200-T2222 HydrophobicContact CG2-CG2 3.57Å; V2200-T2222 VanDerWaalsContact CG2-CG2 3.42Å; V2200-T2222 VanDerWaalsContact CG2-OG1 3.3Å; V2200-T2222 WeakPolarHBondContact CG2-OG1 3.29Å; T2222-T2224 HydrophobicContact CG2-CG2 4.36Å |
| 2223 | P | 84.4 | Confident | 86.7 | Confident | 32.4 Ų | 32.4 | 56.7 Ų | 56.7 | 21% | 0.21 | 30% | 0.302 | C | S | . | . | cis | -71.6 | 144.9 | -1.8 | 29.4 | -35.5 | 0 | 0 | 0 | 113.6 | D2226 L2229 | P2223-D2226 HydrophobicContact CB-CB 4.37Å; P2223-D2226 HydrophobicContact CG-CB 3.71Å; P2223-L2229 VanDerWaalsContact O-CD2 3.26Å; P2223-L2229 WeakPolarHBondContact O-CD2 3.47Å | ||
| 2224 | T | 79.3 | Confident | 87 | Confident | 66.6 Ų | 66.6 | 55.8 Ų | 55.8 | 41% | 0.409 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -22.5 | -177.5 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | T2222 F2252 | T2222-T2224 HydrophobicContact CG2-CG2 4.36Å; T2224-F2252 WeakPolarHBondContact CG2-O 3.3Å |
| 2225 | N | 70.7 | Confident | 87.1 | Confident | 139.4 Ų | 139.4 | 53.4 Ų | 53.4 | 75% | 0.745 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.8 | 33.4 | -173.1 | -67.4 | -10.4 | 0 | 0 | 0 | 112.4 | P2227 | N2225-P2227 VanDerWaalsContact O-CD 3.29Å; N2225-P2227 WeakPolarHBondContact O-CD 3.41Å |
| 2226 | D | 78.5 | Confident | 86.9 | Confident | 23.6 Ų | 23.6 | 58.2 Ų | 58.2 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | trans | -93.2 | 112 | 177.1 | -176.8 | -5.1 | 0 | 0 | 0 | 110.8 | P2223 D2228 L2229 N2276 | P2223-D2226 HydrophobicContact CB-CB 4.37Å; P2223-D2226 HydrophobicContact CG-CB 3.71Å; D2226-D2228 PolarHBondContact O-N 2.87Å; D2226-D2228 VanDerWaalsContact O-N 3.16Å; D2226-D2228 WeakPolarHBondContact OD1-CB 3.26Å; D2226-D2228 PolarHBondContact OD1-N 3.19Å; D2226-L2229 HydrophobicContact CB-CB 4.11Å; D2226-L2229 VanDerWaalsContact O-CB 3.24Å; D2226-L2229 WeakPolarHBondContact O-CB 3.34Å; D2226-L2229 PolarHBondContact O-N 3.25Å; D2226-L2229 VanDerWaalsContact O-N 3.12Å; D2226-N2276 VanDerWaalsContact OD2-CB 3.27Å; D2226-N2276 WeakPolarHBondContact OD2-CB 3.23Å; D2226-N2276 PolarHBondContact OD2-ND2 2.94Å | ||
| 2227 | P | 76.2 | Confident | 86.4 | Confident | 122.4 Ų | 122.4 | 56.5 Ų | 56.5 | 80% | 0.795 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -15.1 | -178.6 | 28.2 | -34.4 | 0 | 0 | 0 | 113.8 | N2225 L2229 | N2225-P2227 VanDerWaalsContact O-CD 3.29Å; N2225-P2227 WeakPolarHBondContact O-CD 3.41Å; P2227-L2229 VanDerWaalsContact C-N 3.33Å |
| 2228 | D | 79.9 | Confident | 86 | Confident | 69.4 Ų | 69.4 | 59.4 Ų | 59.4 | 37% | 0.371 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -6 | 175 | -64.3 | -28.1 | 0 | 0 | 0 | 112.4 | K2194 D2226 K2230 N2276 S2277 | K2194-D2228 IonicContact NZ-OD2 3.32Å; K2194-D2228 PolarHBondContact NZ-OD2 2.96Å; K2194-D2228 VanDerWaalsContact NZ-OD2 3.12Å; D2226-D2228 PolarHBondContact O-N 2.87Å; D2226-D2228 VanDerWaalsContact O-N 3.16Å; D2226-D2228 WeakPolarHBondContact OD1-CB 3.26Å; D2226-D2228 PolarHBondContact OD1-N 3.19Å; D2228-K2230 PolarHBondContact O-N 2.9Å; D2228-N2276 HydrophobicContact CB-CB 4.32Å; D2228-S2277 WeakPolarHBondContact OD2-CB 3.41Å; D2228-S2277 PolarHBondContact OD2-OG 3.12Å |
| 2229 | L | 85.4 | Confident | 85.9 | Confident | 38.4 Ų | 38.4 | 59.5 Ų | 59.5 | 20% | 0.201 | 34% | 0.342 | C | S | . | . | trans | -74.4 | 121.4 | -173.8 | -172.9 | 69.2 | 0 | 0 | 0 | 112.1 | P2197 L2221 P2223 D2226 P2227 V2231 A2274 K2275 N2276 | P2197-L2229 HydrophobicContact CB-CD1 3.74Å; P2197-L2229 HydrophobicContact CG-CD1 4.26Å; L2221-L2229 HydrophobicContact CD1-CD2 3.45Å; L2221-L2229 VanDerWaalsContact CD1-CD2 3.49Å; L2221-L2229 HydrophobicContact CD1-CG 4.26Å; L2221-L2229 HydrophobicContact CD2-CD2 4.45Å; P2223-L2229 VanDerWaalsContact O-CD2 3.26Å; P2223-L2229 WeakPolarHBondContact O-CD2 3.47Å; D2226-L2229 HydrophobicContact CB-CB 4.11Å; D2226-L2229 VanDerWaalsContact O-CB 3.24Å; D2226-L2229 WeakPolarHBondContact O-CB 3.34Å; D2226-L2229 PolarHBondContact O-N 3.25Å; D2226-L2229 VanDerWaalsContact O-N 3.12Å; P2227-L2229 VanDerWaalsContact C-N 3.33Å; L2229-V2231 HydrophobicContact CD2-CG2 4.49Å; L2229-V2231 HydrophobicContact CG-CG2 4.49Å; L2229-A2274 HydrophobicContact CD1-CB 4.27Å; L2229-K2275 CarbonylContact C-O 3.52Å; L2229-K2275 WeakPolarHBondContact CA-O 3.21Å; L2229-N2276 HydrophobicContact CD1-CB 4.27Å | ||
| 2230 | K | 87.4 | Confident | 85.8 | Confident | 146 Ų | 146 | 60.8 Ų | 60.8 | 64% | 0.635 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 131.1 | 174.4 | -65.5 | -173.2 | 177.8 | -173.2 | 0 | 110.4 | D2228 A2274 K2275 | D2228-K2230 PolarHBondContact O-N 2.9Å; K2230-A2274 CarbonylContact O-C 3.51Å; K2230-A2274 WeakPolarHBondContact O-CA 3.37Å; K2230-K2275 PolarHBondContact N-O 3.01Å; K2230-K2275 PolarHBondContact O-N 3.03Å |
| 2231 | V | 91.1 | Very high | 85.5 | Confident | 29.2 Ų | 29.2 | 65.6 Ų | 65.6 | 18% | 0.177 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 124.6 | 177.6 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | L2221 L2229 N2250 A2255 C2272 R2273 A2274 | L2221-V2231 HydrophobicContact CD1-CG2 4.18Å; L2221-V2231 HydrophobicContact CD2-CG2 3.72Å; L2229-V2231 HydrophobicContact CD2-CG2 4.49Å; L2229-V2231 HydrophobicContact CG-CG2 4.49Å; V2231-N2250 HydrophobicContact CB-CB 4.34Å; V2231-N2250 WeakPolarHBondContact CB-ND2 3.49Å; V2231-N2250 WeakPolarHBondContact CG1-OD1 3.4Å; V2231-N2250 HydrophobicContact CG2-CB 4.43Å; V2231-N2250 PolarHBondContact O-ND2 2.83Å; V2231-A2255 HydrophobicContact CG1-CB 3.93Å; V2231-C2272 VanDerWaalsContact CG1-SG 3.55Å; V2231-C2272 WeakPolarHBondContact CG1-SG 3.1Å; V2231-R2273 CarbonylContact C-O 3.53Å; V2231-R2273 WeakPolarHBondContact CA-O 3.31Å; V2231-A2274 HydrophobicContact CG2-CB 4.21Å |
| 2232 | E | 91.6 | Very high | 85.2 | Confident | 82.2 Ų | 82.2 | 69.6 Ų | 69.6 | 38% | 0.384 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 140.4 | -177.6 | -64.3 | 178.3 | 151.4 | 0 | 0 | 110.2 | F2234 R2273 | E2232-F2234 HydrophobicContact CB-CE2 3.68Å; E2232-F2234 HydrophobicContact CB-CZ 4.24Å; E2232-R2273 PolarHBondContact N-O 3.11Å; E2232-R2273 PolarHBondContact O-N 3.05Å; E2232-R2273 IonicContact OE2-CZ 3.46Å; E2232-R2273 VanDerWaalsContact OE2-CZ 3.26Å; E2232-R2273 IonicContact OE2-NE 3.27Å; E2232-R2273 PolarHBondContact OE2-NE 3.08Å; E2232-R2273 IonicContact OE2-NH2 3.31Å; E2232-R2273 PolarHBondContact OE2-NH2 2.88Å |
| 2233 | W | 93.4 | Very high | 85.1 | Confident | 16.2 Ų | 16.2 | 69.5 Ų | 69.5 | 6% | 0.061 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 138.5 | 178.4 | -72.8 | 83.8 | 0 | 0 | 0 | 111.3 | L2203 L2217 L2240 V2248 N2250 A2255 L2257 Q2271 C2272 | L2203-W2233 HydrophobicContact CD1-CH2 4.1Å; L2203-W2233 HydrophobicContact CD1-CZ3 3.81Å; L2203-W2233 HydrophobicContact CD2-CH2 3.62Å; L2203-W2233 HydrophobicContact CD2-CZ3 4.13Å; L2203-W2233 HydrophobicContact CG-CH2 4.44Å; L2217-W2233 HydrophobicContact CB-CH2 4.16Å; L2217-W2233 HydrophobicContact CB-CZ3 4.38Å; L2217-W2233 HydrophobicContact CD1-CZ3 4.38Å; W2233-L2240 HydrophobicContact CB-CB 4.01Å; W2233-L2240 HydrophobicContact CB-CD2 3.99Å; W2233-L2240 WeakPolarHBondContact O-CB 3.25Å; W2233-L2240 PolarHBondContact O-N 3.04Å; W2233-V2248 VanDerWaalsContact CD1-CG1 3.45Å; W2233-V2248 HydrophobicContact CD2-CG1 4.25Å; W2233-V2248 HydrophobicContact CG-CG1 4.26Å; W2233-V2248 HydrophobicContact CG-CG2 4.36Å; W2233-V2248 VanDerWaalsContact NE1-CG1 3.28Å; W2233-N2250 PolarHBondContact NE1-OD1 2.86Å; W2233-A2255 HydrophobicContact CZ2-CB 4.29Å; W2233-L2257 HydrophobicContact CD2-CB 4.09Å; W2233-L2257 HydrophobicContact CD2-CD2 4.2Å; W2233-L2257 HydrophobicContact CE3-CB 3.97Å; W2233-L2257 HydrophobicContact CE3-CD2 3.56Å; W2233-L2257 HydrophobicContact CE3-CG 4.39Å; W2233-L2257 HydrophobicContact CH2-CB 3.49Å; W2233-L2257 VanDerWaalsContact CH2-CB 3.47Å; W2233-L2257 HydrophobicContact CH2-CD2 4.37Å; W2233-L2257 HydrophobicContact CZ2-CB 3.66Å; W2233-L2257 HydrophobicContact CZ3-CB 3.67Å; W2233-L2257 HydrophobicContact CZ3-CD2 3.66Å; W2233-L2257 HydrophobicContact CZ3-CG 4.32Å; W2233-Q2271 CarbonylContact C-O 3.5Å; W2233-Q2271 WeakPolarHBondContact CA-O 3.33Å; W2233-C2272 HydrophobicContact CD2-CB 4.03Å; W2233-C2272 HydrophobicContact CE3-CB 3.94Å; W2233-C2272 HydrophobicContact CH2-CB 3.99Å; W2233-C2272 HydrophobicContact CZ2-CB 4.03Å; W2233-C2272 HydrophobicContact CZ3-CB 3.92Å |
| 2234 | F | 92.1 | Very high | 84.6 | Confident | 23.2 Ų | 23.2 | 73.3 Ų | 73.3 | 10% | 0.102 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 145.9 | 177.4 | -60.8 | -99.2 | 0 | 0 | 0 | 109.9 | E2232 S2238 P2239 Y2270 Q2271 R2273 | E2232-F2234 HydrophobicContact CB-CE2 3.68Å; E2232-F2234 HydrophobicContact CB-CZ 4.24Å; F2234-S2238 CarbonylContact C-O 3.55Å; F2234-S2238 WeakPolarHBondContact CA-O 3.35Å; F2234-S2238 WeakPolarHBondContact CB-O 3.41Å; F2234-P2239 HydrophobicContact CD1-CB 4.35Å; F2234-P2239 HydrophobicContact CD1-CG 4.32Å; F2234-P2239 HydrophobicContact CE1-CB 4.12Å; F2234-P2239 HydrophobicContact CE1-CG 4.05Å; F2234-Y2270 CarbonylContact O-C 3.51Å; F2234-Y2270 VanDerWaalsContact O-CA 3.3Å; F2234-Y2270 WeakPolarHBondContact O-CA 3.37Å; F2234-Q2271 HydrophobicContact CB-CB 4.21Å; F2234-Q2271 PolarHBondContact N-O 2.83Å; F2234-Q2271 PolarHBondContact O-N 2.83Å; F2234-R2273 HydrophobicContact CD2-CB 4.42Å; F2234-R2273 HydrophobicContact CE2-CB 4.17Å; F2234-R2273 VanDerWaalsContact CE2-CZ 3.48Å; F2234-R2273 VanDerWaalsContact CZ-NH2 3.3Å |
| 2235 | V | 90.9 | Very high | 85 | Confident | 30.8 Ų | 30.8 | 72.9 Ų | 72.9 | 19% | 0.187 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 122.7 | 169.2 | 60 | 0 | 0 | 0 | 0 | 108.3 | G2237 S2238 L2240 E2269 Y2270 | V2235-G2237 PolarHBondContact O-N 3.07Å; V2235-G2237 VanDerWaalsContact O-N 3.14Å; V2235-S2238 PolarHBondContact N-O 2.92Å; V2235-S2238 WeakPolarHBondContact O-CB 3.45Å; V2235-S2238 PolarHBondContact O-N 3.04Å; V2235-L2240 HydrophobicContact CB-CD1 4.05Å; V2235-L2240 HydrophobicContact CG1-CD1 3.76Å; V2235-E2269 CarbonylContact C-O 3.52Å; V2235-E2269 WeakPolarHBondContact CA-O 3.41Å; V2235-Y2270 HydrophobicContact CB-CD1 4.24Å; V2235-Y2270 HydrophobicContact CB-CE1 4.03Å; V2235-Y2270 HydrophobicContact CG2-CD1 4.34Å; V2235-Y2270 HydrophobicContact CG2-CD2 4.33Å; V2235-Y2270 HydrophobicContact CG2-CE1 3.98Å; V2235-Y2270 HydrophobicContact CG2-CE2 3.92Å; V2235-Y2270 HydrophobicContact CG2-CG 4.49Å |
| 2236 | N | 88.1 | Confident | 86 | Confident | 102.6 Ų | 102.6 | 66.5 Ų | 66.5 | 55% | 0.549 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 39.1 | -176.2 | -59.6 | -40.8 | 0 | 0 | 0 | 112.9 | S2238 G2268 E2269 | N2236-S2238 VanDerWaalsContact C-N 3.27Å; N2236-S2238 PolarHBondContact O-N 3.15Å; N2236-G2268 VanDerWaalsContact OD1-CA 3.26Å; N2236-G2268 WeakPolarHBondContact OD1-CA 3.26Å; N2236-E2269 PolarHBondContact N-O 3.16Å; N2236-E2269 PolarHBondContact OD1-N 3.06Å |
| 2237 | G | 83.7 | Confident | 86.5 | Confident | 53.6 Ų | 53.6 | 71.3 Ų | 71.3 | 55% | 0.553 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | -3.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | V2235 | V2235-G2237 PolarHBondContact O-N 3.07Å; V2235-G2237 VanDerWaalsContact O-N 3.14Å |
| 2238 | S | 84.1 | Confident | 87.2 | Confident | 63.2 Ų | 63.2 | 67.6 Ų | 67.6 | 44% | 0.442 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 142.8 | 175.6 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | F2234 V2235 N2236 L2240 | F2234-S2238 CarbonylContact C-O 3.55Å; F2234-S2238 WeakPolarHBondContact CA-O 3.35Å; F2234-S2238 WeakPolarHBondContact CB-O 3.41Å; V2235-S2238 PolarHBondContact N-O 2.92Å; V2235-S2238 WeakPolarHBondContact O-CB 3.45Å; V2235-S2238 PolarHBondContact O-N 3.04Å; N2236-S2238 VanDerWaalsContact C-N 3.27Å; N2236-S2238 PolarHBondContact O-N 3.15Å; S2238-L2240 PolarHBondContact O-N 3.13Å |
| 2239 | P | 89.3 | Confident | 87.5 | Confident | 83.2 Ų | 83.2 | 69.2 Ų | 69.2 | 54% | 0.54 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 131 | 177.4 | -4.1 | 6.8 | 0 | 0 | 0 | 111.5 | F2234 K2241 | F2234-P2239 HydrophobicContact CD1-CB 4.35Å; F2234-P2239 HydrophobicContact CD1-CG 4.32Å; F2234-P2239 HydrophobicContact CE1-CB 4.12Å; F2234-P2239 HydrophobicContact CE1-CG 4.05Å; P2239-K2241 PolarHBondContact O-N 3.01Å |
| 2240 | L | 90 | Very high | 87.4 | Confident | 28 Ų | 28 | 70.8 Ų | 70.8 | 15% | 0.147 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 128 | -177.6 | -175.9 | 69.8 | 0 | 0 | 0 | 110.9 | W2233 V2235 S2238 V2242 V2246 V2248 L2257 Y2270 | W2233-L2240 HydrophobicContact CB-CB 4.01Å; W2233-L2240 HydrophobicContact CB-CD2 3.99Å; W2233-L2240 WeakPolarHBondContact O-CB 3.25Å; W2233-L2240 PolarHBondContact O-N 3.04Å; V2235-L2240 HydrophobicContact CB-CD1 4.05Å; V2235-L2240 HydrophobicContact CG1-CD1 3.76Å; S2238-L2240 PolarHBondContact O-N 3.13Å; L2240-V2242 PolarHBondContact O-N 3.18Å; L2240-V2246 HydrophobicContact CD1-CG1 4.34Å; L2240-V2246 HydrophobicContact CD2-CG1 3.9Å; L2240-V2246 HydrophobicContact CG-CG1 4.12Å; L2240-V2248 HydrophobicContact CD2-CG2 4.25Å; L2240-L2257 HydrophobicContact CD2-CD1 3.49Å; L2240-L2257 VanDerWaalsContact CD2-CD1 3.46Å; L2240-L2257 HydrophobicContact CD2-CD2 3.64Å; L2240-L2257 HydrophobicContact CD2-CG 4.24Å; L2240-Y2270 HydrophobicContact CD1-CD1 4.46Å; L2240-Y2270 HydrophobicContact CD1-CE1 3.88Å; L2240-Y2270 HydrophobicContact CD2-CD1 4.41Å; L2240-Y2270 HydrophobicContact CD2-CE1 4.22Å |
| 2241 | K | 83.8 | Confident | 87 | Confident | 163.2 Ų | 163.2 | 68.1 Ų | 68.1 | 71% | 0.71 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 113.5 | 176 | -68.1 | -176.5 | 179.4 | -179.7 | 0 | 110.7 | P2239 | P2239-K2241 PolarHBondContact O-N 3.01Š|
| 2242 | V | 85.4 | Confident | 86.5 | Confident | 88.8 Ų | 88.8 | 73.9 Ų | 73.9 | 54% | 0.538 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -72 | 138.7 | 175.5 | -174.9 | 0 | 0 | 0 | 0 | 110 | L2240 V2246 V2248 | L2240-V2242 PolarHBondContact O-N 3.18Å; V2242-V2246 CarbonylContact C-O 3.28Å; V2242-V2246 WeakPolarHBondContact CA-O 3.32Å; V2242-V2246 VanDerWaalsContact CG1-O 3.26Å; V2242-V2246 WeakPolarHBondContact CG1-O 3.33Å; V2242-V2248 HydrophobicContact CB-CG2 4.4Å; V2242-V2248 HydrophobicContact CG1-CG2 4.15Å; V2242-V2248 HydrophobicContact CG2-CB 4.34Å; V2242-V2248 HydrophobicContact CG2-CG1 4.5Å; V2242-V2248 HydrophobicContact CG2-CG2 3.87Å |
| 2243 | S | 81.3 | Confident | 86 | Confident | 56.6 Ų | 56.6 | 70.4 Ų | 70.4 | 40% | 0.396 | 39% | 0.391 | S | S | . | . | trans | -149.8 | -177.8 | 180 | 69.2 | 0 | 0 | 0 | 0 | 111 | R2245 V2246 | S2243-R2245 PolarHBondContact O-N 3.1Å; S2243-R2245 PolarHBondContact OG-N 3.15Å; S2243-V2246 PolarHBondContact N-O 3.02Å; S2243-V2246 VanDerWaalsContact N-O 3.08Å; S2243-V2246 CarbonylContact O-C 3.53Å; S2243-V2246 PolarHBondContact O-N 3.06Å; S2243-V2246 PolarHBondContact OG-N 3.17Å; S2243-V2246 VanDerWaalsContact OG-N 3.13Å | ||
| 2244 | S | 74.9 | Confident | 85.8 | Confident | 113.2 Ų | 113.2 | 73.3 Ų | 73.3 | 79% | 0.792 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -60.7 | -27.2 | 172.2 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | K2247 | S2244-K2247 WeakPolarHBondContact O-CE 3.12Š|
| 2245 | R | 88.4 | Confident | 85.7 | Confident | 57 Ų | 57 | 72.2 Ų | 72.2 | 22% | 0.215 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -86.4 | -29.8 | 178.2 | -171 | 172.7 | 71.2 | 79.1 | -3.1 | 113.2 | S2243 I2259 A2260 P2261 D2266 | S2243-R2245 PolarHBondContact O-N 3.1Å; S2243-R2245 PolarHBondContact OG-N 3.15Å; R2245-I2259 HydrophobicContact CG-CG2 4.38Å; R2245-I2259 VanDerWaalsContact O-CA 3.3Å; R2245-I2259 WeakPolarHBondContact O-CA 3.33Å; R2245-A2260 WeakPolarHBondContact CG-O 3.48Å; R2245-A2260 PolarHBondContact O-N 3.08Å; R2245-A2260 VanDerWaalsContact O-N 3.15Å; R2245-P2261 VanDerWaalsContact CD-O 3.28Å; R2245-P2261 WeakPolarHBondContact CD-O 3.33Å; R2245-P2261 VanDerWaalsContact CG-O 3.3Å; R2245-P2261 WeakPolarHBondContact CG-O 3.19Å; R2245-P2261 PolarHBondContact NH1-O 3.18Å; R2245-D2266 IonicContact CZ-OD1 3.28Å; R2245-D2266 IonicContact CZ-OD2 3.07Å; R2245-D2266 VanDerWaalsContact NH1-CG 3.29Å; R2245-D2266 IonicContact NH1-OD1 3.37Å; R2245-D2266 PolarHBondContact NH1-OD1 3.15Å; R2245-D2266 IonicContact NH1-OD2 2.9Å; R2245-D2266 PolarHBondContact NH1-OD2 2.91Å; R2245-D2266 IonicContact NH2-OD1 3.05Å; R2245-D2266 PolarHBondContact NH2-OD1 3.21Å; R2245-D2266 IonicContact NH2-OD2 3.09Å; R2245-D2266 PolarHBondContact NH2-OD2 3.08Å |
| 2246 | V | 90.8 | Very high | 85.8 | Confident | 6.6 Ų | 6.6 | 72.4 Ų | 72.4 | 4% | 0.04 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 104.3 | -173.7 | 179.8 | 0 | 0 | 0 | 0 | 109 | L2240 V2242 S2243 L2257 E2258 I2259 | L2240-V2246 HydrophobicContact CD1-CG1 4.34Å; L2240-V2246 HydrophobicContact CD2-CG1 3.9Å; L2240-V2246 HydrophobicContact CG-CG1 4.12Å; V2242-V2246 CarbonylContact C-O 3.28Å; V2242-V2246 WeakPolarHBondContact CA-O 3.32Å; V2242-V2246 VanDerWaalsContact CG1-O 3.26Å; V2242-V2246 WeakPolarHBondContact CG1-O 3.33Å; S2243-V2246 PolarHBondContact N-O 3.02Å; S2243-V2246 VanDerWaalsContact N-O 3.08Å; S2243-V2246 CarbonylContact O-C 3.53Å; S2243-V2246 PolarHBondContact O-N 3.06Å; S2243-V2246 PolarHBondContact OG-N 3.17Å; S2243-V2246 VanDerWaalsContact OG-N 3.13Å; V2246-L2257 HydrophobicContact CG1-CD1 3.83Å; V2246-E2258 CarbonylContact C-O 3.49Å; V2246-E2258 WeakPolarHBondContact CA-O 3.4Å; V2246-I2259 HydrophobicContact CB-CG1 4.46Å; V2246-I2259 HydrophobicContact CG1-CD1 4.42Å; V2246-I2259 HydrophobicContact CG1-CG1 4.19Å; V2246-I2259 HydrophobicContact CG2-CD1 4.26Å; V2246-I2259 HydrophobicContact CG2-CG1 4.11Å; V2246-I2259 HydrophobicContact CG2-CG2 4.2Å |
| 2247 | K | 88.3 | Confident | 86.1 | Confident | 123 Ų | 123 | 67.5 Ų | 67.5 | 54% | 0.535 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 139.7 | -176.2 | -62.5 | 177.5 | -174.5 | 170.6 | 0 | 111 | S2244 L2257 E2258 | S2244-K2247 WeakPolarHBondContact O-CE 3.12Å; K2247-L2257 WeakPolarHBondContact O-CA 3.32Å; K2247-L2257 WeakPolarHBondContact O-CD1 3.37Å; K2247-E2258 HydrophobicContact CB-CB 4.42Å; K2247-E2258 PolarHBondContact N-O 2.96Å; K2247-E2258 PolarHBondContact O-N 3.1Å |
| 2248 | V | 91 | Very high | 86.5 | Confident | 46.2 Ų | 46.2 | 68.7 Ų | 68.7 | 28% | 0.28 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 134.9 | 176.8 | -155.4 | 0 | 0 | 0 | 0 | 109.4 | W2233 L2240 V2242 N2250 I2256 L2257 | W2233-V2248 VanDerWaalsContact CD1-CG1 3.45Å; W2233-V2248 HydrophobicContact CD2-CG1 4.25Å; W2233-V2248 HydrophobicContact CG-CG1 4.26Å; W2233-V2248 HydrophobicContact CG-CG2 4.36Å; W2233-V2248 VanDerWaalsContact NE1-CG1 3.28Å; L2240-V2248 HydrophobicContact CD2-CG2 4.25Å; V2242-V2248 HydrophobicContact CB-CG2 4.4Å; V2242-V2248 HydrophobicContact CG1-CG2 4.15Å; V2242-V2248 HydrophobicContact CG2-CB 4.34Å; V2242-V2248 HydrophobicContact CG2-CG1 4.5Å; V2242-V2248 HydrophobicContact CG2-CG2 3.87Å; V2248-N2250 WeakPolarHBondContact CG1-ND2 3.19Å; V2248-I2256 CarbonylContact C-O 3.5Å; V2248-I2256 VanDerWaalsContact CA-O 3.3Å; V2248-I2256 WeakPolarHBondContact CA-O 3.34Å; V2248-I2256 WeakPolarHBondContact CG1-O 3.43Å; V2248-L2257 HydrophobicContact CG1-CB 4.3Å; V2248-L2257 HydrophobicContact CG1-CD1 3.96Å; V2248-L2257 HydrophobicContact CG2-CD1 3.94Å |
| 2249 | L | 87.4 | Confident | 86.9 | Confident | 102.4 Ų | 102.4 | 65.7 Ų | 65.7 | 54% | 0.536 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 123.8 | -179.5 | -162.2 | 142.5 | 0 | 0 | 0 | 109.6 | D2251 A2255 I2256 | L2249-D2251 HydrophobicContact CD2-CB 4.19Å; L2249-A2255 WeakPolarHBondContact O-CA 3.34Å; L2249-I2256 HydrophobicContact CB-CB 4.37Å; L2249-I2256 HydrophobicContact CD2-CD1 4.26Å; L2249-I2256 PolarHBondContact N-O 3.1Å; L2249-I2256 PolarHBondContact O-N 3.13Å |
| 2250 | N | 83.4 | Confident | 86.8 | Confident | 71.8 Ų | 71.8 | 64.1 Ų | 64.1 | 38% | 0.384 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 94.6 | -177.2 | -59.3 | -36.9 | 0 | 0 | 0 | 109.1 | V2231 W2233 V2248 F2254 A2255 | V2231-N2250 HydrophobicContact CB-CB 4.34Å; V2231-N2250 WeakPolarHBondContact CB-ND2 3.49Å; V2231-N2250 WeakPolarHBondContact CG1-OD1 3.4Å; V2231-N2250 HydrophobicContact CG2-CB 4.43Å; V2231-N2250 PolarHBondContact O-ND2 2.83Å; W2233-N2250 PolarHBondContact NE1-OD1 2.86Å; V2248-N2250 WeakPolarHBondContact CG1-ND2 3.19Å; N2250-F2254 CarbonylContact C-O 3.52Å; N2250-F2254 VanDerWaalsContact CA-O 3.26Å; N2250-F2254 WeakPolarHBondContact CA-O 3.39Å; N2250-A2255 WeakPolarHBondContact OD1-CA 3.37Å; N2250-A2255 WeakPolarHBondContact OD1-CB 3.41Å |
| 2251 | D | 77.9 | Confident | 86.6 | Confident | 89 Ų | 89 | 65 Ų | 65 | 48% | 0.476 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 146.6 | -175.3 | -159.9 | 5.7 | 0 | 0 | 0 | 112 | L2249 G2253 F2254 | L2249-D2251 HydrophobicContact CD2-CB 4.19Å; D2251-G2253 PolarHBondContact O-N 3.28Å; D2251-F2254 PolarHBondContact N-O 3.06Å; D2251-F2254 WeakPolarHBondContact O-CB 3.37Å; D2251-F2254 PolarHBondContact O-N 2.94Å |
| 2252 | F | 80 | Confident | 86.8 | Confident | 151.4 Ų | 151.4 | 57.3 Ų | 57.3 | 66% | 0.664 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 28.6 | -179 | -61.9 | -80.2 | 0 | 0 | 0 | 116.2 | T2224 F2254 | T2224-F2252 WeakPolarHBondContact CG2-O 3.3Å; F2252-F2254 HydrophobicContact CB-CD2 4.4Å |
| 2253 | G | 81.4 | Confident | 86.9 | Confident | 7.4 Ų | 7.4 | 57.5 Ų | 57.5 | 8% | 0.076 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 9.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q2220 L2221 D2251 | Q2220-G2253 CarbonylContact C-O 3.53Å; Q2220-G2253 VanDerWaalsContact CA-O 3.28Å; Q2220-G2253 WeakPolarHBondContact CA-O 3.21Å; Q2220-G2253 WeakPolarHBondContact CG-O 3.45Å; L2221-G2253 WeakPolarHBondContact CB-O 3.3Å; L2221-G2253 WeakPolarHBondContact CG-O 3.21Å; L2221-G2253 PolarHBondContact N-O 3.13Å; L2221-G2253 WeakPolarHBondContact O-CA 3.33Å; D2251-G2253 PolarHBondContact O-N 3.28Å |
| 2254 | F | 89.1 | Confident | 86.9 | Confident | 77.8 Ų | 77.8 | 57 Ų | 57 | 34% | 0.341 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 135.6 | 168.4 | -65.5 | -90.1 | 0 | 0 | 0 | 109.6 | E2218 Q2220 N2250 D2251 F2252 I2256 | E2218-F2254 HydrophobicContact CG-CD1 4.45Å; E2218-F2254 WeakPolarHBondContact OE1-CD1 3.35Å; E2218-F2254 WeakPolarHBondContact OE1-CE1 3.36Å; Q2220-F2254 HydrophobicContact CB-CD1 4.5Å; Q2220-F2254 HydrophobicContact CB-CE1 4.47Å; Q2220-F2254 HydrophobicContact CG-CD1 4.28Å; Q2220-F2254 HydrophobicContact CG-CE1 4.19Å; Q2220-F2254 HydrophobicContact CG-CZ 4.36Å; N2250-F2254 CarbonylContact C-O 3.52Å; N2250-F2254 VanDerWaalsContact CA-O 3.26Å; N2250-F2254 WeakPolarHBondContact CA-O 3.39Å; D2251-F2254 PolarHBondContact N-O 3.06Å; D2251-F2254 WeakPolarHBondContact O-CB 3.37Å; D2251-F2254 PolarHBondContact O-N 2.94Å; F2252-F2254 HydrophobicContact CB-CD2 4.4Å; F2254-I2256 HydrophobicContact CB-CD1 4.43Å; F2254-I2256 HydrophobicContact CB-CG1 4.42Å |
| 2255 | A | 91 | Very high | 87.4 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 111.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | E2218 A2219 L2221 V2231 W2233 L2249 N2250 | E2218-A2255 WeakPolarHBondContact CA-O 3.4Å; A2219-A2255 PolarHBondContact N-O 2.97Å; A2219-A2255 PolarHBondContact O-N 3.04Å; L2221-A2255 HydrophobicContact CD1-CB 3.78Å; L2221-A2255 HydrophobicContact CD2-CB 4.08Å; V2231-A2255 HydrophobicContact CG1-CB 3.93Å; W2233-A2255 HydrophobicContact CZ2-CB 4.29Å; L2249-A2255 WeakPolarHBondContact O-CA 3.34Å; N2250-A2255 WeakPolarHBondContact OD1-CA 3.37Å; N2250-A2255 WeakPolarHBondContact OD1-CB 3.41Å |
| 2256 | I | 93.2 | Very high | 87.5 | Confident | 35.4 Ų | 35.4 | 56.8 Ų | 56.8 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136.3 | -172.4 | -58.4 | 173.8 | 0 | 0 | 0 | 109.6 | H2216 L2217 E2218 V2248 L2249 F2254 E2258 | H2216-I2256 VanDerWaalsContact CE1-CG2 3.46Å; H2216-I2256 WeakPolarHBondContact CE1-CG2 3.31Å; L2217-I2256 CarbonylContact O-C 3.53Å; L2217-I2256 VanDerWaalsContact O-CA 3.31Å; L2217-I2256 WeakPolarHBondContact O-CA 3.32Å; E2218-I2256 HydrophobicContact CB-CG1 4.25Å; E2218-I2256 HydrophobicContact CG-CG1 4.2Å; V2248-I2256 CarbonylContact C-O 3.5Å; V2248-I2256 VanDerWaalsContact CA-O 3.3Å; V2248-I2256 WeakPolarHBondContact CA-O 3.34Å; V2248-I2256 WeakPolarHBondContact CG1-O 3.43Å; L2249-I2256 HydrophobicContact CB-CB 4.37Å; L2249-I2256 HydrophobicContact CD2-CD1 4.26Å; L2249-I2256 PolarHBondContact N-O 3.1Å; L2249-I2256 PolarHBondContact O-N 3.13Å; F2254-I2256 HydrophobicContact CB-CD1 4.43Å; F2254-I2256 HydrophobicContact CB-CG1 4.42Å; I2256-E2258 HydrophobicContact CG2-CG 4.15Å |
| 2257 | L | 93.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 124.8 | 170.4 | 166.6 | 61.9 | 0 | 0 | 0 | 109.8 | L2217 W2233 L2240 V2246 K2247 V2248 I2259 Y2270 | L2217-L2257 HydrophobicContact CB-CB 4.25Å; L2217-L2257 HydrophobicContact CD1-CD2 4.17Å; L2217-L2257 PolarHBondContact N-O 3.05Å; L2217-L2257 PolarHBondContact O-N 2.94Å; W2233-L2257 HydrophobicContact CD2-CB 4.09Å; W2233-L2257 HydrophobicContact CD2-CD2 4.2Å; W2233-L2257 HydrophobicContact CE3-CB 3.97Å; W2233-L2257 HydrophobicContact CE3-CD2 3.56Å; W2233-L2257 HydrophobicContact CE3-CG 4.39Å; W2233-L2257 HydrophobicContact CH2-CB 3.49Å; W2233-L2257 VanDerWaalsContact CH2-CB 3.47Å; W2233-L2257 HydrophobicContact CH2-CD2 4.37Å; W2233-L2257 HydrophobicContact CZ2-CB 3.66Å; W2233-L2257 HydrophobicContact CZ3-CB 3.67Å; W2233-L2257 HydrophobicContact CZ3-CD2 3.66Å; W2233-L2257 HydrophobicContact CZ3-CG 4.32Å; L2240-L2257 HydrophobicContact CD2-CD1 3.49Å; L2240-L2257 VanDerWaalsContact CD2-CD1 3.46Å; L2240-L2257 HydrophobicContact CD2-CD2 3.64Å; L2240-L2257 HydrophobicContact CD2-CG 4.24Å; V2246-L2257 HydrophobicContact CG1-CD1 3.83Å; K2247-L2257 WeakPolarHBondContact O-CA 3.32Å; K2247-L2257 WeakPolarHBondContact O-CD1 3.37Å; V2248-L2257 HydrophobicContact CG1-CB 4.3Å; V2248-L2257 HydrophobicContact CG1-CD1 3.96Å; V2248-L2257 HydrophobicContact CG2-CD1 3.94Å; L2257-I2259 HydrophobicContact CD1-CD1 4.43Å; L2257-I2259 HydrophobicContact CD1-CG1 4.22Å; L2257-I2259 HydrophobicContact CG-CG1 4.5Å; L2257-Y2270 HydrophobicContact CD2-CD1 3.39Å; L2257-Y2270 VanDerWaalsContact CD2-CD1 3.43Å; L2257-Y2270 HydrophobicContact CD2-CE1 3.75Å; L2257-Y2270 HydrophobicContact CD2-CG 4.35Å |
| 2258 | E | 92.3 | Very high | 87.5 | Confident | 78.8 Ų | 78.8 | 52.8 Ų | 52.8 | 37% | 0.368 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.6 | 175.7 | -79.3 | -171.1 | 156.5 | 0 | 0 | 111.5 | T2214 L2215 H2216 V2246 K2247 I2256 | T2214-E2258 HydrophobicContact CG2-CG 4.39Å; L2215-E2258 CarbonylContact O-C 3.5Å; L2215-E2258 VanDerWaalsContact O-CA 3.32Å; L2215-E2258 WeakPolarHBondContact O-CA 3.24Å; H2216-E2258 IonicContact CE1-OE1 3.44Å; H2216-E2258 PolarHBondContact CE1-OE1 3.29Å; H2216-E2258 WeakPolarHBondContact ND1-CG 3.36Å; H2216-E2258 IonicContact ND1-OE1 2.83Å; H2216-E2258 PolarHBondContact ND1-OE1 2.97Å; V2246-E2258 CarbonylContact C-O 3.49Å; V2246-E2258 WeakPolarHBondContact CA-O 3.4Å; K2247-E2258 HydrophobicContact CB-CB 4.42Å; K2247-E2258 PolarHBondContact N-O 2.96Å; K2247-E2258 PolarHBondContact O-N 3.1Å; I2256-E2258 HydrophobicContact CG2-CG 4.15Å |
| 2259 | I | 92.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 116.5 | 172.6 | -53.2 | -174 | 0 | 0 | 0 | 109.2 | T2214 L2215 R2245 V2246 L2257 V2262 D2266 Y2270 | T2214-I2259 WeakPolarHBondContact CA-O 3.37Å; L2215-I2259 HydrophobicContact CB-CB 4.17Å; L2215-I2259 HydrophobicContact CD2-CB 4.36Å; L2215-I2259 HydrophobicContact CD2-CD1 3.87Å; L2215-I2259 HydrophobicContact CD2-CG1 4.09Å; L2215-I2259 PolarHBondContact N-O 3.09Å; L2215-I2259 PolarHBondContact O-N 2.92Å; R2245-I2259 HydrophobicContact CG-CG2 4.38Å; R2245-I2259 VanDerWaalsContact O-CA 3.3Å; R2245-I2259 WeakPolarHBondContact O-CA 3.33Å; V2246-I2259 HydrophobicContact CB-CG1 4.46Å; V2246-I2259 HydrophobicContact CG1-CD1 4.42Å; V2246-I2259 HydrophobicContact CG1-CG1 4.19Å; V2246-I2259 HydrophobicContact CG2-CD1 4.26Å; V2246-I2259 HydrophobicContact CG2-CG1 4.11Å; V2246-I2259 HydrophobicContact CG2-CG2 4.2Å; L2257-I2259 HydrophobicContact CD1-CD1 4.43Å; L2257-I2259 HydrophobicContact CD1-CG1 4.22Å; L2257-I2259 HydrophobicContact CG-CG1 4.5Å; I2259-V2262 HydrophobicContact CB-CG2 4.14Å; I2259-V2262 HydrophobicContact CG2-CG2 4.07Å; I2259-V2262 VanDerWaalsContact O-CG2 3.25Å; I2259-V2262 WeakPolarHBondContact O-CG2 3.38Å; I2259-D2266 HydrophobicContact CD1-CB 4.48Å; I2259-Y2270 HydrophobicContact CD1-CE1 3.96Å; I2259-Y2270 VanDerWaalsContact CD1-OH 3.22Å; I2259-Y2270 WeakPolarHBondContact CD1-OH 3.42Å |
| 2260 | A | 87.8 | Confident | 87.9 | Confident | 50 Ų | 50 | 50.3 Ų | 50.3 | 41% | 0.413 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -144.6 | 109.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112 | T2214 R2245 | T2214-A2260 HydrophobicContact CG2-CB 3.89Å; R2245-A2260 WeakPolarHBondContact CG-O 3.48Å; R2245-A2260 PolarHBondContact O-N 3.08Å; R2245-A2260 VanDerWaalsContact O-N 3.15Å |
| 2261 | P | 84.5 | Confident | 88.4 | Confident | 47 Ų | 47 | 49.1 Ų | 49.1 | 31% | 0.305 | 25% | 0.254 | S | S | . | . | S | Bend | cis | -80.3 | 160.8 | -4.7 | 32.1 | -35 | 0 | 0 | 0 | 114.1 | D2213 R2245 Y2263 | D2213-P2261 CarbonylContact O-C 3.57Å; D2213-P2261 WeakPolarHBondContact O-CA 3.21Å; R2245-P2261 VanDerWaalsContact CD-O 3.28Å; R2245-P2261 WeakPolarHBondContact CD-O 3.33Å; R2245-P2261 VanDerWaalsContact CG-O 3.3Å; R2245-P2261 WeakPolarHBondContact CG-O 3.19Å; R2245-P2261 PolarHBondContact NH1-O 3.18Å; P2261-Y2263 HydrophobicContact CG-CE1 4.24Å; P2261-Y2263 HydrophobicContact CG-CE2 4.26Å; P2261-Y2263 WeakPolarHBondContact CG-OH 3.41Å |
| 2262 | V | 88.9 | Confident | 89.1 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -91.2 | 143.3 | 172.8 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | L2209 D2211 G2212 D2213 L2215 I2259 D2266 C2289 | L2209-V2262 HydrophobicContact CD1-CG1 4.39Å; L2209-V2262 HydrophobicContact CD1-CG2 4.42Å; D2211-V2262 CarbonylContact C-O 3.56Å; D2211-V2262 WeakPolarHBondContact CA-O 3.48Å; G2212-V2262 PolarHBondContact N-O 2.88Å; D2213-V2262 WeakPolarHBondContact O-CB 3.34Å; D2213-V2262 VanDerWaalsContact O-CG2 3.28Å; D2213-V2262 WeakPolarHBondContact O-CG2 3.32Å; D2213-V2262 PolarHBondContact O-N 3.07Å; L2215-V2262 HydrophobicContact CB-CG2 3.44Å; L2215-V2262 VanDerWaalsContact CB-CG2 3.45Å; L2215-V2262 VanDerWaalsContact N-CG2 3.3Å; I2259-V2262 HydrophobicContact CB-CG2 4.14Å; I2259-V2262 HydrophobicContact CG2-CG2 4.07Å; I2259-V2262 VanDerWaalsContact O-CG2 3.25Å; I2259-V2262 WeakPolarHBondContact O-CG2 3.38Å; V2262-D2266 WeakPolarHBondContact CA-OD2 3.38Å; V2262-D2266 HydrophobicContact CG1-CB 4.05Å; V2262-C2289 HydrophobicContact CG1-CB 3.84Å | ||
| 2263 | Y | 87.1 | Confident | 89.7 | Confident | 93.6 Ų | 93.6 | 40.9 Ų | 40.9 | 37% | 0.367 | 21% | 0.212 | S | C | . | . | trans | -123.9 | 162.7 | 172.9 | -59.2 | -67.4 | 0 | 0 | 0 | 111.4 | D2211 P2261 E2265 D2266 C2289 | D2211-Y2263 WeakPolarHBondContact OD1-CA 3.31Å; P2261-Y2263 HydrophobicContact CG-CE1 4.24Å; P2261-Y2263 HydrophobicContact CG-CE2 4.26Å; P2261-Y2263 WeakPolarHBondContact CG-OH 3.41Å; Y2263-E2265 PolarHBondContact O-N 3.17Å; Y2263-E2265 VanDerWaalsContact O-N 3.12Å; Y2263-D2266 PolarHBondContact N-OD2 3.06Å; Y2263-D2266 WeakPolarHBondContact O-CA 3.28Å; Y2263-D2266 WeakPolarHBondContact O-CB 3.37Å; Y2263-D2266 PolarHBondContact O-N 3.19Å; Y2263-C2289 VanDerWaalsContact C-SG 3.57Å; Y2263-C2289 WeakPolarHBondContact O-CB 3.18Å | ||
| 2264 | S | 82.3 | Confident | 90.3 | Very high | 46.8 Ų | 46.8 | 40.5 Ų | 40.5 | 33% | 0.327 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -54.4 | -28.1 | 176.9 | 56.2 | 0 | 0 | 0 | 0 | 114 | D2211 D2266 S2267 C2289 K2297 | D2211-S2264 WeakPolarHBondContact OD1-CB 3.42Å; D2211-S2264 PolarHBondContact OD1-N 3.14Å; S2264-D2266 VanDerWaalsContact C-N 3.33Å; S2264-D2266 PolarHBondContact O-N 2.84Å; S2264-S2267 VanDerWaalsContact O-CB 3.28Å; S2264-S2267 WeakPolarHBondContact O-CB 3.37Å; S2264-S2267 PolarHBondContact O-N 3.11Å; S2264-S2267 PolarHBondContact O-OG 2.96Å; S2264-C2289 WeakPolarHBondContact CA-O 3.24Å; S2264-K2297 PolarHBondContact OG-NZ 2.8Å |
| 2265 | E | 85.4 | Confident | 90.3 | Very high | 148.4 Ų | 148.4 | 41.9 Ų | 41.9 | 69% | 0.693 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -72.8 | -19.9 | 174.1 | 54.6 | -178.6 | -157.8 | 0 | 0 | 114.5 | Y2263 S2267 K2297 | Y2263-E2265 PolarHBondContact O-N 3.17Å; Y2263-E2265 VanDerWaalsContact O-N 3.12Å; E2265-S2267 VanDerWaalsContact C-N 3.26Å; E2265-S2267 PolarHBondContact O-N 3.05Å; E2265-K2297 IonicContact OE2-NZ 3.31Å |
| 2266 | D | 89.7 | Confident | 90.2 | Very high | 16.6 Ų | 16.6 | 42.5 Ų | 42.5 | 9% | 0.089 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -80.9 | -0.6 | 171.7 | -56.1 | -55.1 | 0 | 0 | 0 | 112 | R2245 I2259 V2262 Y2263 S2264 G2268 Y2270 | R2245-D2266 IonicContact CZ-OD1 3.28Å; R2245-D2266 IonicContact CZ-OD2 3.07Å; R2245-D2266 VanDerWaalsContact NH1-CG 3.29Å; R2245-D2266 IonicContact NH1-OD1 3.37Å; R2245-D2266 PolarHBondContact NH1-OD1 3.15Å; R2245-D2266 IonicContact NH1-OD2 2.9Å; R2245-D2266 PolarHBondContact NH1-OD2 2.91Å; R2245-D2266 IonicContact NH2-OD1 3.05Å; R2245-D2266 PolarHBondContact NH2-OD1 3.21Å; R2245-D2266 IonicContact NH2-OD2 3.09Å; R2245-D2266 PolarHBondContact NH2-OD2 3.08Å; I2259-D2266 HydrophobicContact CD1-CB 4.48Å; V2262-D2266 WeakPolarHBondContact CA-OD2 3.38Å; V2262-D2266 HydrophobicContact CG1-CB 4.05Å; Y2263-D2266 PolarHBondContact N-OD2 3.06Å; Y2263-D2266 WeakPolarHBondContact O-CA 3.28Å; Y2263-D2266 WeakPolarHBondContact O-CB 3.37Å; Y2263-D2266 PolarHBondContact O-N 3.19Å; S2264-D2266 VanDerWaalsContact C-N 3.33Å; S2264-D2266 PolarHBondContact O-N 2.84Å; D2266-G2268 PolarHBondContact O-N 3.16Å; D2266-Y2270 VanDerWaalsContact O-CE2 3.31Å; D2266-Y2270 WeakPolarHBondContact O-CE2 3.38Å; D2266-Y2270 PolarHBondContact O-OH 3.24Å; D2266-Y2270 VanDerWaalsContact O-OH 3.06Å |
| 2267 | S | 88.7 | Confident | 89.7 | Confident | 32.6 Ų | 32.6 | 44.3 Ų | 44.3 | 23% | 0.228 | 23% | 0.233 | C | C | . | . | trans | -66.2 | 133.4 | 174 | -55.7 | 0 | 0 | 0 | 0 | 110.6 | S2264 E2265 V2287 C2289 | S2264-S2267 VanDerWaalsContact O-CB 3.28Å; S2264-S2267 WeakPolarHBondContact O-CB 3.37Å; S2264-S2267 PolarHBondContact O-N 3.11Å; S2264-S2267 PolarHBondContact O-OG 2.96Å; E2265-S2267 VanDerWaalsContact C-N 3.26Å; E2265-S2267 PolarHBondContact O-N 3.05Å; S2267-V2287 CarbonylContact C-O 3.34Å; S2267-V2287 WeakPolarHBondContact CA-O 3.38Å; S2267-C2289 WeakPolarHBondContact OG-CA 3.26Å; S2267-C2289 WeakPolarHBondContact OG-CB 3.31Å; S2267-C2289 PolarHBondContact OG-N 2.99Å; S2267-C2289 PolarHBondContact OG-O 2.9Å; S2267-C2289 VanDerWaalsContact OG-O 3.09Å | ||
| 2268 | G | 90.2 | Very high | 89.2 | Confident | 14.6 Ų | 14.6 | 47.8 Ų | 47.8 | 15% | 0.151 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.7 | 179.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N2236 D2266 Y2270 V2287 | N2236-G2268 VanDerWaalsContact OD1-CA 3.26Å; N2236-G2268 WeakPolarHBondContact OD1-CA 3.26Å; D2266-G2268 PolarHBondContact O-N 3.16Å; G2268-Y2270 WeakPolarHBondContact O-CD2 3.17Å; G2268-V2287 PolarHBondContact N-O 3.03Å; G2268-V2287 PolarHBondContact O-N 3Å |
| 2269 | E | 93.2 | Very high | 88.9 | Confident | 92 Ų | 92 | 45.2 Ų | 45.2 | 43% | 0.43 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 110.3 | 173.6 | -170.7 | 176.7 | 117.5 | 0 | 0 | 109.3 | V2235 N2236 Q2271 V2284 | V2235-E2269 CarbonylContact C-O 3.52Å; V2235-E2269 WeakPolarHBondContact CA-O 3.41Å; N2236-E2269 PolarHBondContact N-O 3.16Å; N2236-E2269 PolarHBondContact OD1-N 3.06Å; E2269-Q2271 HydrophobicContact CG-CG 4.42Å; E2269-Q2271 PolarHBondContact OE1-NE2 2.97Å; E2269-V2284 VanDerWaalsContact CD-CG1 3.48Å; E2269-V2284 HydrophobicContact CG-CG1 3.2Å; E2269-V2284 VanDerWaalsContact OE1-CG1 3.32Å; E2269-V2284 WeakPolarHBondContact OE1-CG1 3.42Å |
| 2270 | Y | 94.3 | Very high | 88.8 | Confident | 3.2 Ų | 3.2 | 49.5 Ų | 49.5 | 1% | 0.013 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 122.5 | 178.1 | -75 | -99.6 | 0 | 0 | 0 | 109.9 | L2215 L2217 F2234 V2235 L2240 L2257 I2259 D2266 G2268 V2284 A2285 V2287 | L2215-Y2270 HydrophobicContact CD2-CE2 4.48Å; L2217-Y2270 HydrophobicContact CD1-CD1 4.36Å; L2217-Y2270 HydrophobicContact CD1-CG 4.12Å; F2234-Y2270 CarbonylContact O-C 3.51Å; F2234-Y2270 VanDerWaalsContact O-CA 3.3Å; F2234-Y2270 WeakPolarHBondContact O-CA 3.37Å; V2235-Y2270 HydrophobicContact CB-CD1 4.24Å; V2235-Y2270 HydrophobicContact CB-CE1 4.03Å; V2235-Y2270 HydrophobicContact CG2-CD1 4.34Å; V2235-Y2270 HydrophobicContact CG2-CD2 4.33Å; V2235-Y2270 HydrophobicContact CG2-CE1 3.98Å; V2235-Y2270 HydrophobicContact CG2-CE2 3.92Å; V2235-Y2270 HydrophobicContact CG2-CG 4.49Å; L2240-Y2270 HydrophobicContact CD1-CD1 4.46Å; L2240-Y2270 HydrophobicContact CD1-CE1 3.88Å; L2240-Y2270 HydrophobicContact CD2-CD1 4.41Å; L2240-Y2270 HydrophobicContact CD2-CE1 4.22Å; L2257-Y2270 HydrophobicContact CD2-CD1 3.39Å; L2257-Y2270 VanDerWaalsContact CD2-CD1 3.43Å; L2257-Y2270 HydrophobicContact CD2-CE1 3.75Å; L2257-Y2270 HydrophobicContact CD2-CG 4.35Å; I2259-Y2270 HydrophobicContact CD1-CE1 3.96Å; I2259-Y2270 VanDerWaalsContact CD1-OH 3.22Å; I2259-Y2270 WeakPolarHBondContact CD1-OH 3.42Å; D2266-Y2270 VanDerWaalsContact O-CE2 3.31Å; D2266-Y2270 WeakPolarHBondContact O-CE2 3.38Å; D2266-Y2270 PolarHBondContact O-OH 3.24Å; D2266-Y2270 VanDerWaalsContact O-OH 3.06Å; G2268-Y2270 WeakPolarHBondContact O-CD2 3.17Å; Y2270-V2284 CarbonylContact O-C 3.5Å; Y2270-V2284 VanDerWaalsContact O-CA 3.27Å; Y2270-V2284 WeakPolarHBondContact O-CA 3.42Å; Y2270-A2285 PolarHBondContact N-O 2.86Å; Y2270-A2285 PolarHBondContact O-N 3.02Å; Y2270-V2287 HydrophobicContact CD2-CB 3.78Å; Y2270-V2287 HydrophobicContact CD2-CG2 3.31Å; Y2270-V2287 HydrophobicContact CE2-CB 3.71Å; Y2270-V2287 HydrophobicContact CE2-CG1 4.26Å; Y2270-V2287 HydrophobicContact CE2-CG2 3.64Å; Y2270-V2287 HydrophobicContact CG-CG2 4.18Å |
| 2271 | Q | 93.4 | Very high | 89 | Confident | 46.4 Ų | 46.4 | 47.9 Ų | 47.9 | 22% | 0.217 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 122.6 | -177.7 | -143.1 | -173.7 | -14.4 | 0 | 0 | 109.4 | W2233 F2234 E2269 V2282 T2283 V2284 | W2233-Q2271 CarbonylContact C-O 3.5Å; W2233-Q2271 WeakPolarHBondContact CA-O 3.33Å; F2234-Q2271 HydrophobicContact CB-CB 4.21Å; F2234-Q2271 PolarHBondContact N-O 2.83Å; F2234-Q2271 PolarHBondContact O-N 2.83Å; E2269-Q2271 HydrophobicContact CG-CG 4.42Å; E2269-Q2271 PolarHBondContact OE1-NE2 2.97Å; Q2271-V2282 HydrophobicContact CB-CG1 4.27Å; Q2271-V2282 HydrophobicContact CG-CG1 3.47Å; Q2271-V2282 VanDerWaalsContact CG-CG1 3.47Å; Q2271-T2283 CarbonylContact C-O 3.54Å; Q2271-T2283 VanDerWaalsContact CA-O 3.31Å; Q2271-T2283 WeakPolarHBondContact CA-O 3.3Å; Q2271-V2284 HydrophobicContact CB-CG2 4.16Å; Q2271-V2284 HydrophobicContact CG-CB 4.47Å; Q2271-V2284 HydrophobicContact CG-CG1 4.12Å; Q2271-V2284 HydrophobicContact CG-CG2 3.96Å |
| 2272 | C | 93.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 121.4 | 169.8 | 178.3 | 0 | 0 | 0 | 0 | 108.9 | F2199 L2203 V2231 W2233 V2282 T2283 | F2199-C2272 HydrophobicContact CE1-CB 4.48Å; F2199-C2272 HydrophobicContact CZ-CB 4.33Å; F2199-C2272 WeakPolarHBondContact CZ-O 3.23Å; L2203-C2272 HydrophobicContact CD1-CB 3.86Å; L2203-C2272 HydrophobicContact CG-CB 4.44Å; V2231-C2272 VanDerWaalsContact CG1-SG 3.55Å; V2231-C2272 WeakPolarHBondContact CG1-SG 3.1Å; W2233-C2272 HydrophobicContact CD2-CB 4.03Å; W2233-C2272 HydrophobicContact CE3-CB 3.94Å; W2233-C2272 HydrophobicContact CH2-CB 3.99Å; W2233-C2272 HydrophobicContact CZ2-CB 4.03Å; W2233-C2272 HydrophobicContact CZ3-CB 3.92Å; C2272-V2282 WeakPolarHBondContact O-CA 3.34Å; C2272-T2283 HydrophobicContact CB-CG2 3.79Å; C2272-T2283 PolarHBondContact N-O 2.97Å; C2272-T2283 PolarHBondContact O-N 3.08Å |
| 2273 | R | 92.6 | Very high | 89.6 | Confident | 68.2 Ų | 68.2 | 49.5 Ų | 49.5 | 26% | 0.257 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116.6 | -177.2 | 176 | 169.8 | 77.9 | 179.1 | 5.3 | 110 | V2231 E2232 F2234 E2280 A2281 V2282 | V2231-R2273 CarbonylContact C-O 3.53Å; V2231-R2273 WeakPolarHBondContact CA-O 3.31Å; E2232-R2273 PolarHBondContact N-O 3.11Å; E2232-R2273 PolarHBondContact O-N 3.05Å; E2232-R2273 IonicContact OE2-CZ 3.46Å; E2232-R2273 VanDerWaalsContact OE2-CZ 3.26Å; E2232-R2273 IonicContact OE2-NE 3.27Å; E2232-R2273 PolarHBondContact OE2-NE 3.08Å; E2232-R2273 IonicContact OE2-NH2 3.31Å; E2232-R2273 PolarHBondContact OE2-NH2 2.88Å; F2234-R2273 HydrophobicContact CD2-CB 4.42Å; F2234-R2273 HydrophobicContact CE2-CB 4.17Å; F2234-R2273 VanDerWaalsContact CE2-CZ 3.48Å; F2234-R2273 VanDerWaalsContact CZ-NH2 3.3Å; R2273-E2280 VanDerWaalsContact CD-CD 3.43Å; R2273-E2280 WeakPolarHBondContact CD-OE1 3.41Å; R2273-E2280 HydrophobicContact CG-CG 3.95Å; R2273-E2280 VanDerWaalsContact CG-OE1 3.32Å; R2273-E2280 WeakPolarHBondContact CG-OE1 3.42Å; R2273-E2280 IonicContact CZ-OE1 3.45Å; R2273-E2280 IonicContact NE-OE1 2.73Å; R2273-E2280 IonicContact NH1-OE1 3.32Å; R2273-E2280 PolarHBondContact NH1-OE1 3Å; R2273-A2281 CarbonylContact C-O 3.47Å; R2273-A2281 WeakPolarHBondContact CA-O 3.35Å; R2273-V2282 HydrophobicContact CB-CG2 4.3Å; R2273-V2282 HydrophobicContact CG-CG2 4.09Å |
| 2274 | A | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110 | P2197 F2199 L2221 L2229 K2230 V2231 E2280 A2281 | P2197-A2274 HydrophobicContact CB-CB 4.06Å; P2197-A2274 HydrophobicContact CG-CB 4.31Å; P2197-A2274 VanDerWaalsContact CG-O 3.28Å; P2197-A2274 WeakPolarHBondContact CG-O 3.35Å; F2199-A2274 HydrophobicContact CE1-CB 4.45Å; F2199-A2274 HydrophobicContact CE2-CB 4.23Å; F2199-A2274 HydrophobicContact CZ-CB 3.86Å; L2221-A2274 HydrophobicContact CD2-CB 4.01Å; L2229-A2274 HydrophobicContact CD1-CB 4.27Å; K2230-A2274 CarbonylContact O-C 3.51Å; K2230-A2274 WeakPolarHBondContact O-CA 3.37Å; V2231-A2274 HydrophobicContact CG2-CB 4.21Å; A2274-E2280 CarbonylContact O-C 3.49Å; A2274-E2280 VanDerWaalsContact O-CA 3.29Å; A2274-E2280 WeakPolarHBondContact O-CA 3.27Å; A2274-A2281 PolarHBondContact N-O 3.05Å; A2274-A2281 PolarHBondContact O-N 3.05Å |
| 2275 | K | 90.1 | Very high | 90.4 | Very high | 106.2 Ų | 106.2 | 45.4 Ų | 45.4 | 46% | 0.462 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 132.2 | -176 | -176.7 | 174.6 | -172.9 | 151.7 | 0 | 111.2 | L2229 K2230 G2279 E2280 | L2229-K2275 CarbonylContact C-O 3.52Å; L2229-K2275 WeakPolarHBondContact CA-O 3.21Å; K2230-K2275 PolarHBondContact N-O 3.01Å; K2230-K2275 PolarHBondContact O-N 3.03Å; K2275-G2279 WeakPolarHBondContact CA-O 3.28Å; K2275-E2280 HydrophobicContact CB-CB 4.45Å; K2275-E2280 HydrophobicContact CB-CG 4.27Å; K2275-E2280 WeakPolarHBondContact CD-OE2 3.41Å; K2275-E2280 WeakPolarHBondContact CE-OE2 3.3Å; K2275-E2280 HydrophobicContact CG-CB 4.32Å; K2275-E2280 HydrophobicContact CG-CG 4.39Å; K2275-E2280 IonicContact NZ-OE2 3.51Å; K2275-E2280 PolarHBondContact NZ-OE2 3.05Å; K2275-E2280 VanDerWaalsContact NZ-OE2 3.07Å |
| 2276 | N | 88.1 | Confident | 90.6 | Very high | 12.2 Ų | 12.2 | 41.4 Ų | 41.4 | 7% | 0.065 | 24% | 0.235 | C | C | . | . | trans | -125.8 | -167.8 | 169 | 72.8 | 1.5 | 0 | 0 | 0 | 110.8 | S2195 P2197 D2226 D2228 L2229 V2278 G2279 | S2195-N2276 PolarHBondContact O-ND2 3.15Å; P2197-N2276 VanDerWaalsContact CD-CG 3.46Å; P2197-N2276 VanDerWaalsContact CD-OD1 3.24Å; P2197-N2276 WeakPolarHBondContact CD-OD1 3.3Å; D2226-N2276 VanDerWaalsContact OD2-CB 3.27Å; D2226-N2276 WeakPolarHBondContact OD2-CB 3.23Å; D2226-N2276 PolarHBondContact OD2-ND2 2.94Å; D2228-N2276 HydrophobicContact CB-CB 4.32Å; L2229-N2276 HydrophobicContact CD1-CB 4.27Å; N2276-V2278 VanDerWaalsContact C-N 3.28Å; N2276-V2278 PolarHBondContact O-N 3.13Å; N2276-V2278 WeakPolarHBondContact OD1-CA 3.41Å; N2276-V2278 PolarHBondContact OD1-N 3.08Å; N2276-G2279 PolarHBondContact N-O 2.92Å; N2276-G2279 PolarHBondContact OD1-N 2.94Å; N2276-G2279 PolarHBondContact OD1-O 2.9Å | ||
| 2277 | S | 84.1 | Confident | 90.7 | Very high | 72.8 Ų | 72.8 | 40.9 Ų | 40.9 | 51% | 0.509 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -70.8 | -12 | 179 | 49.7 | 0 | 0 | 0 | 0 | 114.8 | D2228 | D2228-S2277 WeakPolarHBondContact OD2-CB 3.41Å; D2228-S2277 PolarHBondContact OD2-OG 3.12Å |
| 2278 | V | 83.4 | Confident | 90.7 | Very high | 75.4 Ų | 75.4 | 43.6 Ų | 43.6 | 46% | 0.457 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -105.4 | -31.6 | -176.5 | -178.7 | 0 | 0 | 0 | 0 | 112.6 | K2194 A2196 N2276 | K2194-V2278 HydrophobicContact CB-CG2 3.49Å; K2194-V2278 VanDerWaalsContact CB-CG2 3.48Å; K2194-V2278 HydrophobicContact CD-CG2 4.46Å; A2196-V2278 HydrophobicContact CB-CB 4.46Å; A2196-V2278 HydrophobicContact CB-CG1 4.22Å; N2276-V2278 VanDerWaalsContact C-N 3.28Å; N2276-V2278 PolarHBondContact O-N 3.13Å; N2276-V2278 WeakPolarHBondContact OD1-CA 3.41Å; N2276-V2278 PolarHBondContact OD1-N 3.08Å |
| 2279 | G | 85.3 | Confident | 90.5 | Very high | 22.4 Ų | 22.4 | 43 Ų | 43 | 23% | 0.231 | 24% | 0.238 | C | C | . | . | trans | -173.8 | -171.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | P2197 K2275 N2276 | P2197-G2279 WeakPolarHBondContact CD-O 3.38Å; P2197-G2279 WeakPolarHBondContact CG-O 3.48Å; K2275-G2279 WeakPolarHBondContact CA-O 3.28Å; N2276-G2279 PolarHBondContact N-O 2.92Å; N2276-G2279 PolarHBondContact OD1-N 2.94Å; N2276-G2279 PolarHBondContact OD1-O 2.9Å | ||
| 2280 | E | 91 | Very high | 89.8 | Confident | 90.2 Ų | 90.2 | 42.5 Ų | 42.5 | 42% | 0.421 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 136 | -176.9 | -176.2 | 177.2 | 145.2 | 0 | 0 | 108.1 | R2273 A2274 K2275 V2282 | R2273-E2280 VanDerWaalsContact CD-CD 3.43Å; R2273-E2280 WeakPolarHBondContact CD-OE1 3.41Å; R2273-E2280 HydrophobicContact CG-CG 3.95Å; R2273-E2280 VanDerWaalsContact CG-OE1 3.32Å; R2273-E2280 WeakPolarHBondContact CG-OE1 3.42Å; R2273-E2280 IonicContact CZ-OE1 3.45Å; R2273-E2280 IonicContact NE-OE1 2.73Å; R2273-E2280 IonicContact NH1-OE1 3.32Å; R2273-E2280 PolarHBondContact NH1-OE1 3Å; A2274-E2280 CarbonylContact O-C 3.49Å; A2274-E2280 VanDerWaalsContact O-CA 3.29Å; A2274-E2280 WeakPolarHBondContact O-CA 3.27Å; K2275-E2280 HydrophobicContact CB-CB 4.45Å; K2275-E2280 HydrophobicContact CB-CG 4.27Å; K2275-E2280 WeakPolarHBondContact CD-OE2 3.41Å; K2275-E2280 WeakPolarHBondContact CE-OE2 3.3Å; K2275-E2280 HydrophobicContact CG-CB 4.32Å; K2275-E2280 HydrophobicContact CG-CG 4.39Å; K2275-E2280 IonicContact NZ-OE2 3.51Å; K2275-E2280 PolarHBondContact NZ-OE2 3.05Å; K2275-E2280 VanDerWaalsContact NZ-OE2 3.07Å; E2280-V2282 HydrophobicContact CG-CG2 4.32Å |
| 2281 | A | 91.1 | Very high | 88.5 | Confident | 17 Ų | 17 | 46 Ų | 46 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 146.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | P2197 F2199 R2273 A2274 | P2197-A2281 HydrophobicContact CB-CB 4.44Å; P2197-A2281 HydrophobicContact CG-CB 4.29Å; P2197-A2281 VanDerWaalsContact O-CB 3.22Å; P2197-A2281 WeakPolarHBondContact O-CB 3.37Å; F2199-A2281 HydrophobicContact CD2-CB 3.87Å; F2199-A2281 HydrophobicContact CE2-CB 3.93Å; F2199-A2281 WeakPolarHBondContact CE2-O 3.38Å; R2273-A2281 CarbonylContact C-O 3.47Å; R2273-A2281 WeakPolarHBondContact CA-O 3.35Å; A2274-A2281 PolarHBondContact N-O 3.05Å; A2274-A2281 PolarHBondContact O-N 3.05Å |
| 2282 | V | 92.9 | Very high | 87 | Confident | 69.8 Ų | 69.8 | 49.2 Ų | 49.2 | 42% | 0.423 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.1 | -179 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | Q2271 C2272 R2273 E2280 V2284 | Q2271-V2282 HydrophobicContact CB-CG1 4.27Å; Q2271-V2282 HydrophobicContact CG-CG1 3.47Å; Q2271-V2282 VanDerWaalsContact CG-CG1 3.47Å; C2272-V2282 WeakPolarHBondContact O-CA 3.34Å; R2273-V2282 HydrophobicContact CB-CG2 4.3Å; R2273-V2282 HydrophobicContact CG-CG2 4.09Å; E2280-V2282 HydrophobicContact CG-CG2 4.32Å; V2282-V2284 HydrophobicContact CG1-CG2 4.16Å |
| 2283 | T | 92.9 | Very high | 84.8 | Confident | 11.4 Ų | 11.4 | 53.6 Ų | 53.6 | 7% | 0.07 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 150.3 | 169.2 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | F2199 P2202 L2203 A2219 Q2271 C2272 | F2199-T2283 HydrophobicContact CD1-CG2 3.76Å; F2199-T2283 HydrophobicContact CD2-CG2 3.79Å; F2199-T2283 HydrophobicContact CE1-CG2 3.6Å; F2199-T2283 VanDerWaalsContact CE1-CG2 3.42Å; F2199-T2283 HydrophobicContact CE2-CG2 3.65Å; F2199-T2283 HydrophobicContact CG-CG2 3.85Å; F2199-T2283 HydrophobicContact CZ-CG2 3.57Å; F2199-T2283 VanDerWaalsContact CZ-CG2 3.47Å; P2202-T2283 WeakPolarHBondContact CA-OG1 3.27Å; P2202-T2283 VanDerWaalsContact CB-OG1 3.31Å; P2202-T2283 WeakPolarHBondContact CB-OG1 3.34Å; L2203-T2283 HydrophobicContact CB-CG2 4.3Å; L2203-T2283 HydrophobicContact CD1-CG2 3.78Å; L2203-T2283 HydrophobicContact CG-CG2 3.59Å; L2203-T2283 PolarHBondContact N-OG1 2.9Å; A2219-T2283 HydrophobicContact CB-CG2 4.21Å; Q2271-T2283 CarbonylContact C-O 3.54Å; Q2271-T2283 VanDerWaalsContact CA-O 3.31Å; Q2271-T2283 WeakPolarHBondContact CA-O 3.3Å; C2272-T2283 HydrophobicContact CB-CG2 3.79Å; C2272-T2283 PolarHBondContact N-O 2.97Å; C2272-T2283 PolarHBondContact O-N 3.08Å |
| 2284 | V | 93.3 | Very high | 82.8 | Confident | 55 Ų | 55 | 60.5 Ų | 60.5 | 33% | 0.333 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 136.9 | -169.5 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | E2269 Y2270 Q2271 V2282 | E2269-V2284 VanDerWaalsContact CD-CG1 3.48Å; E2269-V2284 HydrophobicContact CG-CG1 3.2Å; E2269-V2284 VanDerWaalsContact OE1-CG1 3.32Å; E2269-V2284 WeakPolarHBondContact OE1-CG1 3.42Å; Y2270-V2284 CarbonylContact O-C 3.5Å; Y2270-V2284 VanDerWaalsContact O-CA 3.27Å; Y2270-V2284 WeakPolarHBondContact O-CA 3.42Å; Q2271-V2284 HydrophobicContact CB-CG2 4.16Å; Q2271-V2284 HydrophobicContact CG-CB 4.47Å; Q2271-V2284 HydrophobicContact CG-CG1 4.12Å; Q2271-V2284 HydrophobicContact CG-CG2 3.96Å; V2282-V2284 HydrophobicContact CG1-CG2 4.16Å |
| 2285 | A | 92.5 | Very high | 80.5 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 136.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L2203 E2204 N2205 L2217 Y2270 | L2203-A2285 HydrophobicContact CB-CB 3.76Å; L2203-A2285 HydrophobicContact CD1-CB 4.25Å; E2204-A2285 WeakPolarHBondContact O-CB 3.26Å; N2205-A2285 VanDerWaalsContact OD1-CA 3.3Å; N2205-A2285 WeakPolarHBondContact OD1-CA 3.29Å; L2217-A2285 HydrophobicContact CD1-CB 4.38Å; L2217-A2285 HydrophobicContact CD2-CB 3.98Å; Y2270-A2285 PolarHBondContact N-O 2.86Å; Y2270-A2285 PolarHBondContact O-N 3.02Å |
| 2286 | S | 91.4 | Very high | 78.5 | Confident | 63.6 Ų | 63.6 | 67.6 Ų | 67.6 | 45% | 0.445 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 115.5 | 175.2 | -61.4 | 0 | 0 | 0 | 0 | 110.4 | N2205 | N2205-S2286 PolarHBondContact OD1-N 2.91Å |
| 2287 | V | 90.6 | Very high | 76.4 | Confident | 6.2 Ų | 6.2 | 75 Ų | 75 | 4% | 0.038 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 124.4 | 179.7 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | P2206 L2209 L2215 L2217 S2267 G2268 Y2270 | P2206-V2287 HydrophobicContact CG-CB 4.39Å; P2206-V2287 HydrophobicContact CG-CG1 4.34Å; P2206-V2287 HydrophobicContact CG-CG2 3.99Å; L2209-V2287 HydrophobicContact CD1-CG1 3.8Å; L2215-V2287 HydrophobicContact CD1-CG1 4.11Å; L2215-V2287 HydrophobicContact CD1-CG2 3.97Å; L2215-V2287 HydrophobicContact CD2-CG1 4.01Å; L2215-V2287 HydrophobicContact CD2-CG2 3.95Å; L2217-V2287 HydrophobicContact CD1-CG2 4.06Å; S2267-V2287 CarbonylContact C-O 3.34Å; S2267-V2287 WeakPolarHBondContact CA-O 3.38Å; G2268-V2287 PolarHBondContact N-O 3.03Å; G2268-V2287 PolarHBondContact O-N 3Å; Y2270-V2287 HydrophobicContact CD2-CB 3.78Å; Y2270-V2287 HydrophobicContact CD2-CG2 3.31Å; Y2270-V2287 HydrophobicContact CE2-CB 3.71Å; Y2270-V2287 HydrophobicContact CE2-CG1 4.26Å; Y2270-V2287 HydrophobicContact CE2-CG2 3.64Å; Y2270-V2287 HydrophobicContact CG-CG2 4.18Å |
| 2288 | N | 88.7 | Confident | 74.6 | Confident | 88.4 Ų | 88.4 | 77.6 Ų | 77.6 | 47% | 0.473 | 41% | 0.414 | S | S | . | . | trans | -124.9 | 102.7 | 179.4 | -177.5 | 27.2 | 0 | 0 | 0 | 110.3 | Q2208 L2209 | Q2208-N2288 PolarHBondContact NE2-ND2 2.93Å; Q2208-N2288 PolarHBondContact NE2-O 2.99Å; Q2208-N2288 PolarHBondContact OE1-ND2 2.95Å; Q2208-N2288 VanDerWaalsContact OE1-ND2 3.15Å; L2209-N2288 PolarHBondContact N-O 2.99Å | ||
| 2289 | C | 85.8 | Confident | 72.9 | Confident | 3.6 Ų | 3.6 | 78.4 Ų | 78.4 | 2% | 0.024 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 114.8 | 176.1 | -176.1 | 0 | 0 | 0 | 0 | 110 | L2209 D2211 V2262 Y2263 S2264 S2267 | L2209-C2289 HydrophobicContact CB-CB 4.17Å; L2209-C2289 CarbonylContact O-C 3.46Å; L2209-C2289 VanDerWaalsContact O-CA 3.31Å; L2209-C2289 WeakPolarHBondContact O-CA 3.33Å; D2211-C2289 PolarHBondContact N-SG 3.1Å; D2211-C2289 VanDerWaalsContact N-SG 3.45Å; V2262-C2289 HydrophobicContact CG1-CB 3.84Å; Y2263-C2289 VanDerWaalsContact C-SG 3.57Å; Y2263-C2289 WeakPolarHBondContact O-CB 3.18Å; S2264-C2289 WeakPolarHBondContact CA-O 3.24Å; S2267-C2289 WeakPolarHBondContact OG-CA 3.26Å; S2267-C2289 WeakPolarHBondContact OG-CB 3.31Å; S2267-C2289 PolarHBondContact OG-N 2.99Å; S2267-C2289 PolarHBondContact OG-O 2.9Å; S2267-C2289 VanDerWaalsContact OG-O 3.09Å |
| 2290 | Q | 79 | Confident | 71.3 | Confident | 81.4 Ų | 81.4 | 84.7 Ų | 84.7 | 38% | 0.38 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 134.9 | 176.5 | -74.6 | -176.3 | 7.9 | 0 | 0 | 110.6 | Q2208 L2209 Y2210 D2211 K2292 | Q2208-Q2290 VanDerWaalsContact NE2-CG 3.3Å; Q2208-Q2290 VanDerWaalsContact NE2-NE2 3.16Å; Q2208-Q2290 VanDerWaalsContact NE2-OE1 3.08Å; L2209-Q2290 PolarHBondContact O-N 3.09Å; Y2210-Q2290 CarbonylContact C-O 3.58Å; Y2210-Q2290 VanDerWaalsContact CA-O 3.23Å; Y2210-Q2290 WeakPolarHBondContact CA-O 3.34Å; Y2210-Q2290 HydrophobicContact CD1-CB 4.18Å; Y2210-Q2290 HydrophobicContact CE1-CB 4.25Å; D2211-Q2290 PolarHBondContact N-O 3.14Å; D2211-Q2290 VanDerWaalsContact N-O 3.14Å; Q2290-K2292 PolarHBondContact O-N 2.92Å |
| 2291 | P | 67.8 | Low | 69.2 | Low | 76 Ų | 76 | 84.5 Ų | 84.5 | 49% | 0.494 | 45% | 0.445 | S | S | . | . | trans | -62.5 | 135.7 | 172.7 | 26 | -32.2 | 0 | 0 | 0 | 109.6 | D2211 A2293 | D2211-P2291 VanDerWaalsContact OD2-CA 3.3Å; D2211-P2291 WeakPolarHBondContact OD2-CA 3.37Å; D2211-P2291 WeakPolarHBondContact OD2-CB 3.36Å; P2291-A2293 VanDerWaalsContact C-N 3.31Å; P2291-A2293 PolarHBondContact O-N 3.01Å | ||
| 2292 | K | 60.5 | Low | 67.3 | Low | 112.4 Ų | 112.4 | 87.3 Ų | 87.3 | 49% | 0.489 | 46% | 0.462 | S | S | . | . | trans | -66.1 | 102 | 172.8 | -76 | -175.5 | 173.2 | 129.3 | 0 | 107.9 | Y2210 D2211 D2213 Q2290 R2294 | Y2210-K2292 VanDerWaalsContact CB-CE 3.43Å; Y2210-K2292 HydrophobicContact CD1-CG 4.22Å; Y2210-K2292 HydrophobicContact CG-CG 4.29Å; D2211-K2292 HydrophobicContact CB-CB 4.38Å; D2211-K2292 HydrophobicContact CB-CG 4.35Å; D2211-K2292 VanDerWaalsContact O-CD 3.23Å; D2211-K2292 WeakPolarHBondContact O-CD 3.35Å; D2211-K2292 WeakPolarHBondContact O-CE 3.31Å; D2211-K2292 WeakPolarHBondContact O-CG 3.48Å; D2211-K2292 PolarHBondContact O-NZ 2.98Å; D2211-K2292 PolarHBondContact OD2-N 3.05Å; D2213-K2292 IonicContact OD1-NZ 3.68Å; D2213-K2292 PolarHBondContact OD1-NZ 3.07Å; Q2290-K2292 PolarHBondContact O-N 2.92Å; K2292-R2294 VanDerWaalsContact C-N 3.33Å; K2292-R2294 PolarHBondContact O-N 2.99Å; K2292-R2294 VanDerWaalsContact O-N 3.14Å | ||
| 2293 | A | 48.2 | Very low | 65.6 | Low | 92.4 Ų | 92.4 | 89.7 Ų | 89.7 | 76% | 0.764 | 48% | 0.481 | S | S | * | . | trans | -60.6 | 103.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111 | P2291 I2295 | P2291-A2293 VanDerWaalsContact C-N 3.31Å; P2291-A2293 PolarHBondContact O-N 3.01Å; A2293-I2295 PolarHBondContact O-N 2.84Å | ||
| 2294 | R | 49.9 | Very low | 63.7 | Low | 214.2 Ų | 214.2 | 94.2 Ų | 94.2 | 81% | 0.808 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.6 | 3.9 | 169.4 | -94.1 | 175.6 | -174.6 | -163.5 | 2 | 114.9 | K2292 I2296 | K2292-R2294 VanDerWaalsContact C-N 3.33Å; K2292-R2294 PolarHBondContact O-N 2.99Å; K2292-R2294 VanDerWaalsContact O-N 3.14Å; R2294-I2296 PolarHBondContact O-N 2.87Å |
| 2295 | I | 43.5 | Very low | 61.6 | Low | 125.8 Ų | 125.8 | 96.3 Ų | 96.3 | 65% | 0.645 | 52% | 0.521 | S | S | * | . | trans | -115.6 | 112.7 | -179.6 | -54.9 | 175.4 | 0 | 0 | 0 | 110.3 | A2293 K2297 L2326 | A2293-I2295 PolarHBondContact O-N 2.84Å; I2295-K2297 HydrophobicContact CG2-CG 4.18Å; I2295-K2297 PolarHBondContact O-N 2.81Å; I2295-K2297 VanDerWaalsContact O-N 3.17Å; I2295-L2326 HydrophobicContact CG2-CD1 4.25Å | ||
| 2296 | I | 47.6 | Very low | 59.7 | Low | 129.2 Ų | 129.2 | 100.5 Ų | 100.5 | 66% | 0.663 | 55% | 0.55 | S | S | * | * | trans | -73.1 | 111.8 | 168.2 | -61.1 | 170.1 | 0 | 0 | 0 | 107.3 | R2294 D2298 | R2294-I2296 PolarHBondContact O-N 2.87Å; I2296-D2298 VanDerWaalsContact C-N 3.31Å; I2296-D2298 HydrophobicContact CG2-CB 4.15Å; I2296-D2298 WeakPolarHBondContact CG2-O 3.29Å; I2296-D2298 PolarHBondContact O-N 3.06Å | ||
| 2297 | K | 44.6 | Very low | 57.9 | Low | 167.4 Ų | 167.4 | 99.6 Ų | 99.6 | 73% | 0.728 | 55% | 0.55 | S | S | * | * | trans | -84.6 | -9.1 | 179 | -65.5 | -172.1 | 179.8 | -175.6 | 0 | 113.7 | D2211 S2264 E2265 I2295 T2299 | D2211-K2297 IonicContact OD1-NZ 3.99Å; D2211-K2297 PolarHBondContact OD1-NZ 3.01Å; D2211-K2297 WeakPolarHBondContact OD2-CE 3.14Å; D2211-K2297 IonicContact OD2-NZ 3.83Å; D2211-K2297 PolarHBondContact OD2-NZ 2.81Å; S2264-K2297 PolarHBondContact OG-NZ 2.8Å; E2265-K2297 IonicContact OE2-NZ 3.31Å; I2295-K2297 HydrophobicContact CG2-CG 4.18Å; I2295-K2297 PolarHBondContact O-N 2.81Å; I2295-K2297 VanDerWaalsContact O-N 3.17Å; K2297-T2299 PolarHBondContact O-N 2.62Å | ||
| 2298 | D | 45.6 | Very low | 56.2 | Low | 126.8 Ų | 126.8 | 101.2 Ų | 101.2 | 68% | 0.678 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -86 | 128.7 | 178 | -65.5 | -36.6 | 0 | 0 | 0 | 111.4 | I2296 Q2300 | I2296-D2298 VanDerWaalsContact C-N 3.31Å; I2296-D2298 HydrophobicContact CG2-CB 4.15Å; I2296-D2298 WeakPolarHBondContact CG2-O 3.29Å; I2296-D2298 PolarHBondContact O-N 3.06Å; D2298-Q2300 PolarHBondContact O-N 3.08Å; D2298-Q2300 VanDerWaalsContact O-N 3.16Å; D2298-Q2300 PolarHBondContact O-NE2 3.08Å |
| 2299 | T | 48.2 | Very low | 54.5 | Low | 93 Ų | 93 | 101.5 Ų | 101.5 | 57% | 0.571 | 56% | 0.563 | S | S | * | * | trans | -62.6 | 118.4 | -179.3 | -158.5 | 0 | 0 | 0 | 0 | 111.3 | K2297 L2301 Q2309 | K2297-T2299 PolarHBondContact O-N 2.62Å; T2299-L2301 HydrophobicContact CG2-CB 4.07Å; T2299-L2301 HydrophobicContact CG2-CD1 3.82Å; T2299-L2301 HydrophobicContact CG2-CG 4.1Å; T2299-L2301 PolarHBondContact O-N 3.08Å; T2299-L2301 VanDerWaalsContact O-N 3.15Å; T2299-L2301 WeakPolarHBondContact OG1-CB 3.3Å; T2299-L2301 WeakPolarHBondContact OG1-CD1 3.48Å; T2299-L2301 VanDerWaalsContact OG1-CG 3.3Å; T2299-L2301 WeakPolarHBondContact OG1-CG 3.37Å; T2299-L2301 PolarHBondContact OG1-N 3.05Å; T2299-Q2309 VanDerWaalsContact CB-OE1 3.27Å; T2299-Q2309 HydrophobicContact CG2-CG 4.13Å; T2299-Q2309 VanDerWaalsContact CG2-NE2 3.33Å; T2299-Q2309 PolarHBondContact OG1-OE1 3.08Å | ||
| 2300 | Q | 52 | Low | 53.1 | Low | 154.4 Ų | 154.4 | 108.1 Ų | 108.1 | 72% | 0.721 | 59% | 0.594 | S | S | * | * | trans | -86.8 | 18.1 | 178.2 | -60.9 | -60.8 | -55.4 | 0 | 0 | 112.6 | D2298 P2302 | D2298-Q2300 PolarHBondContact O-N 3.08Å; D2298-Q2300 VanDerWaalsContact O-N 3.16Å; D2298-Q2300 PolarHBondContact O-NE2 3.08Å; Q2300-P2302 WeakPolarHBondContact O-CD 3.42Å | ||
| 2301 | L | 47.1 | Very low | 52 | Low | 87 Ų | 87 | 111.8 Ų | 111.8 | 46% | 0.455 | 61% | 0.609 | S | S | . | * | trans | -70.9 | 130.3 | 178.3 | -74.2 | 170.6 | 0 | 0 | 0 | 110.2 | T2299 S2303 M2305 A2308 | T2299-L2301 HydrophobicContact CG2-CB 4.07Å; T2299-L2301 HydrophobicContact CG2-CD1 3.82Å; T2299-L2301 HydrophobicContact CG2-CG 4.1Å; T2299-L2301 PolarHBondContact O-N 3.08Å; T2299-L2301 VanDerWaalsContact O-N 3.15Å; T2299-L2301 WeakPolarHBondContact OG1-CB 3.3Å; T2299-L2301 WeakPolarHBondContact OG1-CD1 3.48Å; T2299-L2301 VanDerWaalsContact OG1-CG 3.3Å; T2299-L2301 WeakPolarHBondContact OG1-CG 3.37Å; T2299-L2301 PolarHBondContact OG1-N 3.05Å; L2301-S2303 PolarHBondContact O-N 3.12Å; L2301-M2305 HydrophobicContact CB-CB 4.2Å; L2301-M2305 HydrophobicContact CB-CE 4.11Å; L2301-M2305 HydrophobicContact CD1-CE 4.34Å; L2301-M2305 HydrophobicContact CD2-CB 4.24Å; L2301-M2305 HydrophobicContact CD2-CE 3.74Å; L2301-M2305 HydrophobicContact CD2-CG 4.49Å; L2301-M2305 HydrophobicContact CD2-SD 4.36Å; L2301-M2305 HydrophobicContact CG-CE 4.27Å; L2301-A2308 HydrophobicContact CD1-CB 4.15Å | ||
| 2302 | P | 52.2 | Low | 51.4 | Low | 75.6 Ų | 75.6 | 112.1 Ų | 112.1 | 49% | 0.491 | 61% | 0.605 | S | S | . | * | trans | -55.2 | 146.2 | 175.6 | -23.7 | 32.3 | 0 | 0 | 0 | 111.5 | Q2300 S2304 M2305 | Q2300-P2302 WeakPolarHBondContact O-CD 3.42Å; P2302-S2304 PolarHBondContact O-N 3.04Å; P2302-M2305 WeakPolarHBondContact O-CB 3.4Å; P2302-M2305 PolarHBondContact O-N 2.91Å | ||
| 2303 | S | 56.6 | Low | 51.2 | Low | 119.2 Ų | 119.2 | 112.6 Ų | 112.6 | 83% | 0.834 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -57.3 | -8.6 | -176.6 | 17.4 | 0 | 0 | 0 | 0 | 115.2 | L2301 M2305 | L2301-S2303 PolarHBondContact O-N 3.12Å; S2303-M2305 VanDerWaalsContact C-N 3.29Å; S2303-M2305 PolarHBondContact O-N 2.96Å |
| 2304 | S | 51.7 | Low | 51.6 | Low | 107 Ų | 107 | 111.7 Ų | 111.7 | 75% | 0.748 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -79.9 | -7.1 | 171.4 | 56.6 | 0 | 0 | 0 | 0 | 114.7 | P2302 | P2302-S2304 PolarHBondContact O-N 3.04Š|
| 2305 | M | 49.7 | Very low | 51.7 | Low | 98 Ų | 98 | 108 Ų | 108 | 48% | 0.483 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -114.1 | 18 | -177.1 | -69.2 | -126.7 | -54.4 | 0 | 0 | 113.9 | L2301 P2302 S2303 G2307 A2308 | L2301-M2305 HydrophobicContact CB-CB 4.2Å; L2301-M2305 HydrophobicContact CB-CE 4.11Å; L2301-M2305 HydrophobicContact CD1-CE 4.34Å; L2301-M2305 HydrophobicContact CD2-CB 4.24Å; L2301-M2305 HydrophobicContact CD2-CE 3.74Å; L2301-M2305 HydrophobicContact CD2-CG 4.49Å; L2301-M2305 HydrophobicContact CD2-SD 4.36Å; L2301-M2305 HydrophobicContact CG-CE 4.27Å; P2302-M2305 WeakPolarHBondContact O-CB 3.4Å; P2302-M2305 PolarHBondContact O-N 2.91Å; S2303-M2305 VanDerWaalsContact C-N 3.29Å; S2303-M2305 PolarHBondContact O-N 2.96Å; M2305-G2307 VanDerWaalsContact C-N 3.26Å; M2305-G2307 PolarHBondContact O-N 3.04Å; M2305-G2307 VanDerWaalsContact O-N 3.12Å; M2305-A2308 HydrophobicContact CE-CB 4.12Å; M2305-A2308 VanDerWaalsContact O-CB 3.24Å; M2305-A2308 WeakPolarHBondContact O-CB 3.31Å; M2305-A2308 PolarHBondContact O-N 3.06Å |
| 2306 | S | 52.9 | Low | 52 | Low | 89.2 Ų | 89.2 | 108.8 Ų | 108.8 | 62% | 0.624 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -58.1 | -26.8 | 179.4 | 68.6 | 0 | 0 | 0 | 0 | 113.9 | A2308 Q2309 E2310 | S2306-A2308 VanDerWaalsContact C-N 3.29Å; S2306-A2308 PolarHBondContact O-N 3.12Å; S2306-Q2309 WeakPolarHBondContact O-CB 3.4Å; S2306-Q2309 PolarHBondContact O-N 3.08Å; S2306-E2310 PolarHBondContact O-N 2.95Å; S2306-E2310 VanDerWaalsContact O-N 3.16Å |
| 2307 | G | 54.4 | Low | 51.4 | Low | 43.6 Ų | 43.6 | 107.1 Ų | 107.1 | 45% | 0.449 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70 | -14.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | M2305 Q2309 K2311 | M2305-G2307 VanDerWaalsContact C-N 3.26Å; M2305-G2307 PolarHBondContact O-N 3.04Å; M2305-G2307 VanDerWaalsContact O-N 3.12Å; G2307-Q2309 VanDerWaalsContact C-N 3.32Å; G2307-K2311 PolarHBondContact O-N 2.84Å |
| 2308 | A | 53.4 | Low | 51.1 | Low | 40.4 Ų | 40.4 | 104.9 Ų | 104.9 | 33% | 0.334 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -72 | -31.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L2301 M2305 S2306 E2310 K2311 I2312 | L2301-A2308 HydrophobicContact CD1-CB 4.15Å; M2305-A2308 HydrophobicContact CE-CB 4.12Å; M2305-A2308 VanDerWaalsContact O-CB 3.24Å; M2305-A2308 WeakPolarHBondContact O-CB 3.31Å; M2305-A2308 PolarHBondContact O-N 3.06Å; S2306-A2308 VanDerWaalsContact C-N 3.29Å; S2306-A2308 PolarHBondContact O-N 3.12Å; A2308-E2310 PolarHBondContact O-N 3.3Å; A2308-K2311 WeakPolarHBondContact O-CB 3.46Å; A2308-K2311 PolarHBondContact O-N 3.12Å; A2308-I2312 WeakPolarHBondContact O-CD1 3.34Å; A2308-I2312 VanDerWaalsContact O-CG1 3.25Å; A2308-I2312 WeakPolarHBondContact O-CG1 3.26Å; A2308-I2312 PolarHBondContact O-N 3.01Å; A2308-I2312 VanDerWaalsContact O-N 3.09Å |
| 2309 | Q | 54.3 | Low | 50.6 | Low | 94.4 Ų | 94.4 | 105.7 Ų | 105.7 | 44% | 0.441 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70.4 | -37.6 | -179 | -162.6 | 103.3 | 5.7 | 0 | 0 | 112.5 | T2299 S2306 G2307 K2311 I2312 Q2313 | T2299-Q2309 VanDerWaalsContact CB-OE1 3.27Å; T2299-Q2309 HydrophobicContact CG2-CG 4.13Å; T2299-Q2309 VanDerWaalsContact CG2-NE2 3.33Å; T2299-Q2309 PolarHBondContact OG1-OE1 3.08Å; S2306-Q2309 WeakPolarHBondContact O-CB 3.4Å; S2306-Q2309 PolarHBondContact O-N 3.08Å; G2307-Q2309 VanDerWaalsContact C-N 3.32Å; Q2309-K2311 VanDerWaalsContact C-N 3.28Å; Q2309-K2311 PolarHBondContact O-N 2.97Å; Q2309-I2312 PolarHBondContact O-N 3.15Å; Q2309-Q2313 WeakPolarHBondContact O-CB 3.36Å; Q2309-Q2313 PolarHBondContact O-N 3.14Å; Q2309-Q2313 VanDerWaalsContact O-N 3.11Å |
| 2310 | E | 56.8 | Low | 49.9 | Very low | 142.8 Ų | 142.8 | 109.5 Ų | 109.5 | 67% | 0.667 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.2 | -31.6 | 173.6 | -71.5 | 178.4 | 160.7 | 0 | 0 | 112 | S2306 A2308 A2314 | S2306-E2310 PolarHBondContact O-N 2.95Å; S2306-E2310 VanDerWaalsContact O-N 3.16Å; A2308-E2310 PolarHBondContact O-N 3.3Å; E2310-A2314 WeakPolarHBondContact O-CA 3.18Å; E2310-A2314 WeakPolarHBondContact O-CB 3.17Å; E2310-A2314 PolarHBondContact O-N 2.98Å |
| 2311 | K | 55.4 | Low | 48.9 | Very low | 159.8 Ų | 159.8 | 109.5 Ų | 109.5 | 70% | 0.695 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -75.2 | -31.2 | 179.3 | -128.3 | 168.1 | -175.4 | 175.8 | 0 | 112.8 | G2307 A2308 Q2309 L2315 | G2307-K2311 PolarHBondContact O-N 2.84Å; A2308-K2311 WeakPolarHBondContact O-CB 3.46Å; A2308-K2311 PolarHBondContact O-N 3.12Å; Q2309-K2311 VanDerWaalsContact C-N 3.28Å; Q2309-K2311 PolarHBondContact O-N 2.97Å; K2311-L2315 WeakPolarHBondContact O-CB 3.5Å; K2311-L2315 VanDerWaalsContact O-CD1 3.31Å; K2311-L2315 WeakPolarHBondContact O-CD1 3.33Å; K2311-L2315 VanDerWaalsContact O-CG 3.28Å; K2311-L2315 WeakPolarHBondContact O-CG 3.4Å; K2311-L2315 PolarHBondContact O-N 3.07Å; K2311-L2315 VanDerWaalsContact O-N 3.09Å |
| 2312 | I | 55.7 | Low | 48.4 | Very low | 81.8 Ų | 81.8 | 109.7 Ų | 109.7 | 42% | 0.419 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -74.6 | -44.2 | 176.8 | -65.1 | 166 | 0 | 0 | 0 | 110 | A2308 Q2309 A2314 L2315 E2316 | A2308-I2312 WeakPolarHBondContact O-CD1 3.34Å; A2308-I2312 VanDerWaalsContact O-CG1 3.25Å; A2308-I2312 WeakPolarHBondContact O-CG1 3.26Å; A2308-I2312 PolarHBondContact O-N 3.01Å; A2308-I2312 VanDerWaalsContact O-N 3.09Å; Q2309-I2312 PolarHBondContact O-N 3.15Å; I2312-A2314 VanDerWaalsContact C-N 3.3Å; I2312-A2314 PolarHBondContact O-N 2.95Å; I2312-L2315 PolarHBondContact O-N 2.96Å; I2312-L2315 VanDerWaalsContact O-N 3.09Å; I2312-E2316 VanDerWaalsContact CG2-CD 3.43Å; I2312-E2316 HydrophobicContact CG2-CG 4.32Å; I2312-E2316 VanDerWaalsContact CG2-OE1 3.24Å; I2312-E2316 WeakPolarHBondContact CG2-OE1 3.41Å; I2312-E2316 WeakPolarHBondContact O-CB 3.16Å; I2312-E2316 WeakPolarHBondContact O-CG 3.26Å; I2312-E2316 PolarHBondContact O-N 3.04Å; I2312-E2316 VanDerWaalsContact O-N 3.09Å |
| 2313 | Q | 55.9 | Low | 47.6 | Very low | 122.6 Ų | 122.6 | 109.9 Ų | 109.9 | 57% | 0.573 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.2 | -27.2 | 174.9 | -78.5 | -176.4 | -11.7 | 0 | 0 | 113.8 | Q2309 L2315 E2316 C2317 | Q2309-Q2313 WeakPolarHBondContact O-CB 3.36Å; Q2309-Q2313 PolarHBondContact O-N 3.14Å; Q2309-Q2313 VanDerWaalsContact O-N 3.11Å; Q2313-L2315 VanDerWaalsContact C-N 3.29Å; Q2313-L2315 PolarHBondContact O-N 3.21Å; Q2313-E2316 PolarHBondContact O-N 2.83Å; Q2313-C2317 PolarHBondContact O-N 2.95Å; Q2313-C2317 PolarHBondContact O-SG 3.22Å; Q2313-C2317 VanDerWaalsContact O-SG 3.41Å |
| 2314 | A | 55.7 | Low | 46.8 | Very low | 72.8 Ų | 72.8 | 109.7 Ų | 109.7 | 60% | 0.602 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -16.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E2310 I2312 | E2310-A2314 WeakPolarHBondContact O-CA 3.18Å; E2310-A2314 WeakPolarHBondContact O-CB 3.17Å; E2310-A2314 PolarHBondContact O-N 2.98Å; I2312-A2314 VanDerWaalsContact C-N 3.3Å; I2312-A2314 PolarHBondContact O-N 2.95Å |
| 2315 | L | 51.9 | Low | 46.3 | Very low | 137.4 Ų | 137.4 | 109.9 Ų | 109.9 | 72% | 0.719 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -14.6 | 179.3 | -70.3 | 167.6 | 0 | 0 | 0 | 113 | K2311 I2312 Q2313 C2317 | K2311-L2315 WeakPolarHBondContact O-CB 3.5Å; K2311-L2315 VanDerWaalsContact O-CD1 3.31Å; K2311-L2315 WeakPolarHBondContact O-CD1 3.33Å; K2311-L2315 VanDerWaalsContact O-CG 3.28Å; K2311-L2315 WeakPolarHBondContact O-CG 3.4Å; K2311-L2315 PolarHBondContact O-N 3.07Å; K2311-L2315 VanDerWaalsContact O-N 3.09Å; I2312-L2315 PolarHBondContact O-N 2.96Å; I2312-L2315 VanDerWaalsContact O-N 3.09Å; Q2313-L2315 VanDerWaalsContact C-N 3.29Å; Q2313-L2315 PolarHBondContact O-N 3.21Å; L2315-C2317 VanDerWaalsContact C-N 3.34Å; L2315-C2317 PolarHBondContact O-N 2.97Å |
| 2316 | E | 49.3 | Very low | 45.9 | Very low | 141.8 Ų | 141.8 | 112.7 Ų | 112.7 | 66% | 0.663 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -96 | 3.6 | -175.9 | -69.1 | 177.1 | 162.3 | 0 | 0 | 114.6 | I2312 Q2313 | I2312-E2316 VanDerWaalsContact CG2-CD 3.43Å; I2312-E2316 HydrophobicContact CG2-CG 4.32Å; I2312-E2316 VanDerWaalsContact CG2-OE1 3.24Å; I2312-E2316 WeakPolarHBondContact CG2-OE1 3.41Å; I2312-E2316 WeakPolarHBondContact O-CB 3.16Å; I2312-E2316 WeakPolarHBondContact O-CG 3.26Å; I2312-E2316 PolarHBondContact O-N 3.04Å; I2312-E2316 VanDerWaalsContact O-N 3.09Å; Q2313-E2316 PolarHBondContact O-N 2.83Å |
| 2317 | C | 37.1 | Very low | 45.8 | Very low | 94.8 Ų | 94.8 | 116.1 Ų | 116.1 | 64% | 0.641 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -91.9 | 130.2 | 171.8 | -73.8 | 0 | 0 | 0 | 0 | 111.4 | Q2313 L2315 K2319 | Q2313-C2317 PolarHBondContact O-N 2.95Å; Q2313-C2317 PolarHBondContact O-SG 3.22Å; Q2313-C2317 VanDerWaalsContact O-SG 3.41Å; L2315-C2317 VanDerWaalsContact C-N 3.34Å; L2315-C2317 PolarHBondContact O-N 2.97Å; C2317-K2319 PolarHBondContact O-N 3.21Å |
| 2318 | P | 36.4 | Very low | 45.8 | Very low | 120 Ų | 120 | 118.3 Ų | 118.3 | 78% | 0.779 | 64% | 0.644 | S | S | * | * | trans | -79.7 | 128.8 | -164.9 | 21 | -20.9 | 0 | 0 | 0 | 113.2 | E1438 Q2320 | E1438-P2318 WeakPolarHBondContact CG-O 3.46Å; P2318-Q2320 PolarHBondContact O-N 3.46Å | ||
| 2319 | K | 35.1 | Very low | 46.4 | Very low | 144 Ų | 144 | 123.4 Ų | 123.4 | 63% | 0.626 | 67% | 0.665 | S | S | * | * | trans | -101.7 | 119 | 170.9 | -93.7 | 167.8 | -177.4 | -174.1 | 0 | 111.1 | R1436 I1437 E1438 K1479 S1481 C2317 E2321 P2322 | R1436-K2319 HydrophobicContact CB-CB 3.94Å; R1436-K2319 HydrophobicContact CB-CD 3.86Å; R1436-K2319 HydrophobicContact CB-CG 3.91Å; R1436-K2319 PolarHBondContact O-NZ 3.11Å; I1437-K2319 CarbonylContact O-C 3.37Å; I1437-K2319 VanDerWaalsContact O-CA 3.23Å; I1437-K2319 WeakPolarHBondContact O-CA 3.37Å; I1437-K2319 WeakPolarHBondContact O-CB 3.41Å; I1437-K2319 VanDerWaalsContact O-CG 3.25Å; I1437-K2319 WeakPolarHBondContact O-CG 3.35Å; E1438-K2319 HydrophobicContact CB-CD 4.28Å; E1438-K2319 HydrophobicContact CB-CG 3.61Å; E1438-K2319 HydrophobicContact CG-CB 4.41Å; E1438-K2319 HydrophobicContact CG-CD 4.25Å; E1438-K2319 HydrophobicContact CG-CG 3.67Å; E1438-K2319 VanDerWaalsContact OE1-CD 3.23Å; E1438-K2319 WeakPolarHBondContact OE1-CD 3.49Å; E1438-K2319 WeakPolarHBondContact OE1-CG 3.08Å; E1438-K2319 WeakPolarHBondContact OE2-CE 3.32Å; K1479-K2319 PolarHBondContact O-NZ 2.98Å; S1481-K2319 VanDerWaalsContact CB-NZ 3.34Å; S1481-K2319 VanDerWaalsContact OG-CE 3.23Å; S1481-K2319 WeakPolarHBondContact OG-CE 3.48Å; S1481-K2319 PolarHBondContact OG-NZ 3.24Å; C2317-K2319 PolarHBondContact O-N 3.21Å; K2319-E2321 PolarHBondContact O-N 3.37Å; K2319-E2321 VanDerWaalsContact O-N 3.16Å; K2319-P2322 HydrophobicContact CB-CG 4.08Å; K2319-P2322 HydrophobicContact CD-CG 4.45Å; K2319-P2322 HydrophobicContact CG-CG 4.08Å | ||
| 2320 | Q | 33.4 | Very low | 47.5 | Very low | 172.8 Ų | 172.8 | 121.6 Ų | 121.6 | 81% | 0.807 | 65% | 0.654 | S | S | * | * | trans | -62.7 | 124 | 167.8 | -153.1 | 173.3 | 8.1 | 0 | 0 | 113.9 | I1437 V1454 P2318 P2322 | I1437-Q2320 CarbonylContact O-C 3.54Å; I1437-Q2320 WeakPolarHBondContact O-CA 3.45Å; I1437-Q2320 PolarHBondContact O-N 3.41Å; V1454-Q2320 HydrophobicContact CG2-CG 4.13Å; P2318-Q2320 PolarHBondContact O-N 3.46Å; Q2320-P2322 WeakPolarHBondContact O-CB 3.32Å; Q2320-P2322 VanDerWaalsContact O-CD 3.28Å; Q2320-P2322 WeakPolarHBondContact O-CD 3.47Å; Q2320-P2322 WeakPolarHBondContact O-CG 3.42Å | ||
| 2321 | E | 32.3 | Very low | 48.6 | Very low | 153.8 Ų | 153.8 | 118 Ų | 118 | 72% | 0.719 | 64% | 0.644 | S | S | * | * | trans | -81 | 133.6 | 175.7 | -85.7 | -179.3 | 157.2 | 0 | 0 | 113 | I1437 W1439 S1455 N1456 V1461 C1478 K2319 A2323 | I1437-E2321 HydrophobicContact CB-CB 4.42Å; I1437-E2321 HydrophobicContact CB-CG 3.84Å; I1437-E2321 VanDerWaalsContact CB-OE1 3.25Å; I1437-E2321 WeakPolarHBondContact CB-OE1 3.45Å; I1437-E2321 VanDerWaalsContact CG1-CD 3.49Å; I1437-E2321 HydrophobicContact CG1-CG 4.31Å; I1437-E2321 WeakPolarHBondContact CG1-OE2 3.41Å; I1437-E2321 HydrophobicContact CG2-CG 4.23Å; I1437-E2321 WeakPolarHBondContact CG2-OE1 3.32Å; W1439-E2321 VanDerWaalsContact NE1-CG 3.33Å; S1455-E2321 WeakPolarHBondContact O-CB 3.43Å; S1455-E2321 VanDerWaalsContact O-CD 3.29Å; S1455-E2321 WeakPolarHBondContact O-CG 3.43Å; N1456-E2321 WeakPolarHBondContact CA-OE2 3.34Å; N1456-E2321 HydrophobicContact CB-CB 3.36Å; N1456-E2321 HydrophobicContact CB-CG 4.32Å; N1456-E2321 WeakPolarHBondContact CB-OE2 3.2Å; N1456-E2321 VanDerWaalsContact OD1-CA 3.25Å; N1456-E2321 WeakPolarHBondContact OD1-CA 3.36Å; N1456-E2321 WeakPolarHBondContact OD1-CB 2.99Å; N1456-E2321 PolarHBondContact OD1-N 2.92Å; N1456-E2321 PolarHBondContact OD1-O 3.18Å; V1461-E2321 HydrophobicContact CG1-CG 4.42Å; V1461-E2321 WeakPolarHBondContact CG1-OE1 3.43Å; V1461-E2321 WeakPolarHBondContact CG2-OE1 3.37Å; V1461-E2321 WeakPolarHBondContact CG2-OE2 3.41Å; C1478-E2321 PolarHBondContact SG-OE1 2.71Å; K2319-E2321 PolarHBondContact O-N 3.37Å; K2319-E2321 VanDerWaalsContact O-N 3.16Å; E2321-A2323 PolarHBondContact O-N 2.74Å | ||
| 2322 | P | 35.6 | Very low | 49.9 | Very low | 91.8 Ų | 91.8 | 114 Ų | 114 | 60% | 0.596 | 63% | 0.634 | S | S | * | * | trans | -91.5 | 140.3 | 174.8 | 12 | 1.3 | 0 | 0 | 0 | 114.2 | V1454 S1455 N1456 Y1462 K2319 Q2320 | V1454-P2322 VanDerWaalsContact C-CB 3.41Å; V1454-P2322 HydrophobicContact CB-CG 4.48Å; S1455-P2322 CarbonylContact C-O 3.49Å; S1455-P2322 WeakPolarHBondContact CA-O 3.48Å; S1455-P2322 WeakPolarHBondContact O-CD 3.44Å; N1456-P2322 CarbonylContact C-O 3.59Å; N1456-P2322 PolarHBondContact N-O 3.2Å; Y1462-P2322 HydrophobicContact CD1-CG 4.1Å; Y1462-P2322 HydrophobicContact CD2-CG 3.47Å; Y1462-P2322 VanDerWaalsContact CD2-CG 3.47Å; Y1462-P2322 HydrophobicContact CE1-CB 3.93Å; Y1462-P2322 HydrophobicContact CE1-CG 4.13Å; Y1462-P2322 HydrophobicContact CE2-CB 3.88Å; Y1462-P2322 HydrophobicContact CE2-CG 3.47Å; Y1462-P2322 VanDerWaalsContact CE2-CG 3.47Å; Y1462-P2322 HydrophobicContact CG-CG 3.75Å; Y1462-P2322 WeakPolarHBondContact O-CD 3.47Å; Y1462-P2322 WeakPolarHBondContact O-CG 3.08Å; K2319-P2322 HydrophobicContact CB-CG 4.08Å; K2319-P2322 HydrophobicContact CD-CG 4.45Å; K2319-P2322 HydrophobicContact CG-CG 4.08Å; Q2320-P2322 WeakPolarHBondContact O-CB 3.32Å; Q2320-P2322 VanDerWaalsContact O-CD 3.28Å; Q2320-P2322 WeakPolarHBondContact O-CD 3.47Å; Q2320-P2322 WeakPolarHBondContact O-CG 3.42Å | ||
| 2323 | A | 36.5 | Very low | 51.5 | Low | 79.4 Ų | 79.4 | 110.5 Ų | 110.5 | 66% | 0.656 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -61 | 165.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1457 Y1462 E2321 | D1457-A2323 HydrophobicContact CB-CB 3.86Å; Y1462-A2323 WeakPolarHBondContact CE1-O 3.23Å; Y1462-A2323 PolarHBondContact OH-O 2.77Å; E2321-A2323 PolarHBondContact O-N 2.74Å |
| 2324 | P | 38.6 | Very low | 53 | Low | 116 Ų | 116 | 106.6 Ų | 106.6 | 75% | 0.753 | 61% | 0.605 | S | S | * | * | trans | -75.2 | 149.8 | -161.7 | 28.4 | -30.1 | 0 | 0 | 0 | 113.4 | D1457 L2326 | D1457-P2324 WeakPolarHBondContact OD2-CB 3.43Å; P2324-L2326 PolarHBondContact O-N 2.84Å | ||
| 2325 | P | 41 | Very low | 54.7 | Low | 110.2 Ų | 110.2 | 104 Ų | 104 | 72% | 0.716 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 150.7 | -179.8 | 23.3 | -20 | 0 | 0 | 0 | 111.3 | E2327 | P2325-E2327 PolarHBondContact O-N 3.01Å; P2325-E2327 VanDerWaalsContact O-N 3.08Å |
| 2326 | L | 42.3 | Very low | 56.4 | Low | 158.2 Ų | 158.2 | 101.2 Ų | 101.2 | 83% | 0.828 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 143.4 | 169.8 | -85.5 | 159.2 | 0 | 0 | 0 | 111.2 | I2295 P2324 T2328 | I2295-L2326 HydrophobicContact CG2-CD1 4.25Å; P2324-L2326 PolarHBondContact O-N 2.84Å; L2326-T2328 PolarHBondContact O-N 2.96Å |
| 2327 | E | 50.4 | Low | 58.1 | Low | 158.8 Ų | 158.8 | 97.1 Ų | 97.1 | 74% | 0.742 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 131.4 | -179.5 | -73.6 | -174.3 | 151.5 | 0 | 0 | 112.9 | P2325 I2329 P2363 K2413 | P2325-E2327 PolarHBondContact O-N 3.01Å; P2325-E2327 VanDerWaalsContact O-N 3.08Å; E2327-I2329 PolarHBondContact O-N 2.8Å; E2327-P2363 HydrophobicContact CB-CG 4.27Å; E2327-P2363 HydrophobicContact CG-CB 4.36Å; E2327-P2363 HydrophobicContact CG-CG 3.74Å; E2327-K2413 IonicContact OE1-NZ 3.3Å; E2327-K2413 PolarHBondContact OE1-NZ 3.01Å |
| 2328 | T | 54.2 | Low | 60.1 | Low | 90.2 Ų | 90.2 | 95.5 Ų | 95.5 | 55% | 0.553 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -82.1 | 130.7 | 175.4 | -40.4 | 0 | 0 | 0 | 0 | 109.8 | L2326 Y2330 | L2326-T2328 PolarHBondContact O-N 2.96Å; T2328-Y2330 VanDerWaalsContact CB-CZ 3.5Å; T2328-Y2330 VanDerWaalsContact CB-OH 3.27Å; T2328-Y2330 WeakPolarHBondContact CB-OH 3.42Å; T2328-Y2330 HydrophobicContact CG2-CE2 4.36Å; T2328-Y2330 VanDerWaalsContact O-CD2 3.3Å; T2328-Y2330 WeakPolarHBondContact O-CD2 3.32Å; T2328-Y2330 PolarHBondContact O-N 3.03Å; T2328-Y2330 PolarHBondContact OG1-OH 2.99Å |
| 2329 | I | 66.8 | Low | 62 | Low | 148.4 Ų | 148.4 | 91.2 Ų | 91.2 | 76% | 0.761 | 51% | 0.512 | S | S | * | . | trans | -96.3 | 109.7 | -179.1 | -57.8 | 171.7 | 0 | 0 | 0 | 108.7 | E2327 | E2327-I2329 PolarHBondContact O-N 2.8Š| ||
| 2330 | Y | 76.2 | Confident | 64.2 | Low | 55.4 Ų | 55.4 | 90.1 Ų | 90.1 | 22% | 0.217 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -86.3 | 147.8 | 179 | -65.8 | -89.6 | 0 | 0 | 0 | 111.3 | T2328 P2359 D2361 D2362 P2363 S2414 | T2328-Y2330 VanDerWaalsContact CB-CZ 3.5Å; T2328-Y2330 VanDerWaalsContact CB-OH 3.27Å; T2328-Y2330 WeakPolarHBondContact CB-OH 3.42Å; T2328-Y2330 HydrophobicContact CG2-CE2 4.36Å; T2328-Y2330 VanDerWaalsContact O-CD2 3.3Å; T2328-Y2330 WeakPolarHBondContact O-CD2 3.32Å; T2328-Y2330 PolarHBondContact O-N 3.03Å; T2328-Y2330 PolarHBondContact OG1-OH 2.99Å; Y2330-P2359 HydrophobicContact CD1-CB 4.44Å; Y2330-P2359 HydrophobicContact CD1-CG 4.33Å; Y2330-D2361 VanDerWaalsContact CD1-CG 3.45Å; Y2330-D2361 WeakPolarHBondContact CD1-OD1 3.15Å; Y2330-D2361 WeakPolarHBondContact CD1-OD2 3.42Å; Y2330-D2361 HydrophobicContact CE1-CB 4.19Å; Y2330-D2361 WeakPolarHBondContact CE1-O 3.28Å; Y2330-D2361 WeakPolarHBondContact CE1-OD1 3.45Å; Y2330-D2361 VanDerWaalsContact CE1-OD2 3.25Å; Y2330-D2361 WeakPolarHBondContact CE1-OD2 3.49Å; Y2330-D2361 PolarHBondContact OH-O 2.66Å; Y2330-D2362 VanDerWaalsContact CB-OD2 3.26Å; Y2330-D2362 WeakPolarHBondContact CB-OD2 3.43Å; Y2330-D2362 HydrophobicContact CD1-CB 3.76Å; Y2330-D2362 VanDerWaalsContact CD1-CB 3.5Å; Y2330-D2362 VanDerWaalsContact CD2-CA 3.48Å; Y2330-D2362 HydrophobicContact CD2-CB 4Å; Y2330-D2362 VanDerWaalsContact CD2-CB 3.46Å; Y2330-D2362 VanDerWaalsContact CD2-CG 3.49Å; Y2330-D2362 VanDerWaalsContact CD2-OD1 3.26Å; Y2330-D2362 WeakPolarHBondContact CD2-OD1 3.43Å; Y2330-D2362 VanDerWaalsContact CE1-CA 3.46Å; Y2330-D2362 HydrophobicContact CE1-CB 4.09Å; Y2330-D2362 VanDerWaalsContact CE2-CA 3.47Å; Y2330-D2362 HydrophobicContact CE2-CB 4.27Å; Y2330-D2362 HydrophobicContact CG-CB 3.75Å; Y2330-D2362 VanDerWaalsContact CG-CB 3.48Å; Y2330-D2362 VanDerWaalsContact CG-CG 3.44Å; Y2330-D2362 VanDerWaalsContact CZ-CA 3.43Å; Y2330-P2363 HydrophobicContact CE2-CG 4.43Å; Y2330-P2363 VanDerWaalsContact OH-CD 3.32Å; Y2330-P2363 WeakPolarHBondContact OH-CD 3.39Å; Y2330-S2414 VanDerWaalsContact O-CB 3.29Å; Y2330-S2414 WeakPolarHBondContact O-CB 3.31Å; Y2330-S2414 PolarHBondContact O-OG 3.05Å; Y2330-S2414 VanDerWaalsContact O-OG 3.08Å |
| 2331 | P | 80 | Confident | 66.4 | Low | 69 Ų | 69 | 88.2 Ų | 88.2 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 160.7 | 167.9 | 27.3 | -31.6 | 0 | 0 | 0 | 111.2 | P2359 S2414 | P2331-P2359 HydrophobicContact CG-CB 4.25Å; P2331-P2359 HydrophobicContact CG-CG 4.1Å; P2331-S2414 VanDerWaalsContact C-OG 3.22Å; P2331-S2414 PolarHBondContact O-OG 3.04Å |
| 2332 | P | 84.4 | Confident | 69 | Low | 75.6 Ų | 75.6 | 84.9 Ų | 84.9 | 49% | 0.491 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 150.1 | 173.6 | 16.2 | -21.4 | 0 | 0 | 0 | 111.3 | P2359 S2414 | P2332-P2359 VanDerWaalsContact O-CD 3.29Å; P2332-P2359 WeakPolarHBondContact O-CD 3.33Å; P2332-S2414 WeakPolarHBondContact CA-OG 3.33Å |
| 2333 | P | 88.9 | Confident | 71.4 | Confident | 6.8 Ų | 6.8 | 81.9 Ų | 81.9 | 4% | 0.044 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 148.3 | -179.6 | 28.1 | -33.9 | 0 | 0 | 0 | 110.6 | L2357 E2358 I2365 A2410 S2412 G2415 D2417 | P2333-L2357 HydrophobicContact CB-CD1 4.09Å; P2333-E2358 CarbonylContact C-O 3.54Å; P2333-E2358 WeakPolarHBondContact CA-O 3.41Å; P2333-I2365 HydrophobicContact CB-CD1 4.33Å; P2333-I2365 HydrophobicContact CB-CG1 4.44Å; P2333-A2410 HydrophobicContact CB-CB 4.03Å; P2333-A2410 HydrophobicContact CG-CB 4.27Å; P2333-A2410 VanDerWaalsContact CG-O 3.32Å; P2333-A2410 WeakPolarHBondContact CG-O 3.42Å; P2333-S2412 VanDerWaalsContact CD-OG 3.3Å; P2333-S2412 WeakPolarHBondContact CD-OG 3.44Å; P2333-G2415 VanDerWaalsContact CD-O 3.28Å; P2333-G2415 WeakPolarHBondContact CD-O 3.27Å; P2333-G2415 WeakPolarHBondContact CG-O 3.38Å; P2333-D2417 HydrophobicContact CG-CB 4.32Å; P2333-D2417 WeakPolarHBondContact O-CB 3.37Å |
| 2334 | A | 88 | Confident | 73.8 | Confident | 42.2 Ų | 42.2 | 80.9 Ų | 80.9 | 35% | 0.349 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 121.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | L2357 E2358 D2417 | A2334-L2357 WeakPolarHBondContact O-CA 3.27Å; A2334-E2358 PolarHBondContact N-O 2.96Å; A2334-E2358 PolarHBondContact O-N 3.04Å; A2334-E2358 VanDerWaalsContact O-N 3.08Å; A2334-D2417 WeakPolarHBondContact CA-OD2 3.37Å |
| 2335 | L | 89.9 | Confident | 76 | Confident | 16.6 Ų | 16.6 | 76 Ų | 76 | 9% | 0.087 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 113.7 | 178.9 | -73 | 168.8 | 0 | 0 | 0 | 110.2 | F2355 K2356 L2357 V2391 C2408 A2410 D2417 A2419 | L2335-F2355 HydrophobicContact CD2-CB 4.11Å; L2335-K2356 CarbonylContact C-O 3.5Å; L2335-K2356 WeakPolarHBondContact CA-O 3.38Å; L2335-L2357 HydrophobicContact CD2-CB 4.26Å; L2335-L2357 HydrophobicContact CD2-CD1 3.79Å; L2335-L2357 HydrophobicContact CD2-CG 4.49Å; L2335-L2357 HydrophobicContact CG-CD1 4.29Å; L2335-V2391 HydrophobicContact CD2-CG2 4.35Å; L2335-C2408 HydrophobicContact CD1-CB 4.36Å; L2335-C2408 VanDerWaalsContact CD1-O 3.25Å; L2335-C2408 WeakPolarHBondContact CD1-O 3.36Å; L2335-A2410 HydrophobicContact CD1-CB 3.9Å; L2335-A2410 HydrophobicContact CD2-CB 4.22Å; L2335-A2410 HydrophobicContact CG-CB 4.02Å; L2335-D2417 WeakPolarHBondContact CD1-O 3.41Å; L2335-D2417 PolarHBondContact N-OD2 3.07Å; L2335-A2419 HydrophobicContact CB-CB 3.72Å; L2335-A2419 HydrophobicContact CD1-CB 4.08Å; L2335-A2419 HydrophobicContact CG-CB 4.46Å |
| 2336 | T | 87.2 | Confident | 77.9 | Confident | 80.2 Ų | 80.2 | 73.8 Ų | 73.8 | 49% | 0.492 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 115.4 | 176.9 | -54.1 | 0 | 0 | 0 | 0 | 110 | T2338 F2355 K2356 | T2336-T2338 PolarHBondContact O-N 2.93Å; T2336-F2355 CarbonylContact O-C 3.53Å; T2336-F2355 WeakPolarHBondContact O-CA 3.29Å; T2336-K2356 PolarHBondContact N-O 2.98Å; T2336-K2356 PolarHBondContact O-N 2.95Å |
| 2337 | L | 85.5 | Confident | 79.6 | Confident | 55.2 Ų | 55.2 | 68.8 Ų | 68.8 | 29% | 0.289 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 125 | 177.9 | -180 | 69 | 0 | 0 | 0 | 111.5 | S2339 K2341 F2355 V2421 | L2337-S2339 VanDerWaalsContact CD1-OG 3.31Å; L2337-S2339 WeakPolarHBondContact CD1-OG 3.32Å; L2337-S2339 VanDerWaalsContact CD2-O 3.24Å; L2337-S2339 WeakPolarHBondContact CD2-O 3.27Å; L2337-S2339 VanDerWaalsContact CG-O 3.27Å; L2337-S2339 WeakPolarHBondContact CG-O 3.37Å; L2337-K2341 VanDerWaalsContact CD2-CA 3.49Å; L2337-K2341 HydrophobicContact CD2-CB 3.73Å; L2337-K2341 HydrophobicContact CD2-CG 4.19Å; L2337-F2355 VanDerWaalsContact CA-CD1 3.47Å; L2337-F2355 HydrophobicContact CB-CD1 3.86Å; L2337-F2355 HydrophobicContact CB-CE1 3.82Å; L2337-F2355 HydrophobicContact CD1-CD1 3.79Å; L2337-F2355 HydrophobicContact CD1-CE1 3.4Å; L2337-F2355 VanDerWaalsContact CD1-CE1 3.42Å; L2337-F2355 HydrophobicContact CD1-CG 4.48Å; L2337-F2355 HydrophobicContact CD1-CZ 3.91Å; L2337-F2355 HydrophobicContact CG-CD1 4.38Å; L2337-F2355 HydrophobicContact CG-CE1 4.16Å; L2337-V2421 HydrophobicContact CD1-CG1 3.47Å; L2337-V2421 VanDerWaalsContact CD1-CG1 3.43Å; L2337-V2421 HydrophobicContact CD2-CG1 4.15Å; L2337-V2421 HydrophobicContact CG-CG1 4.45Å |
| 2338 | T | 80.2 | Confident | 80.6 | Confident | 61.6 Ų | 61.6 | 63.2 Ų | 63.2 | 38% | 0.378 | 36% | 0.358 | S | S | . | . | trans | -102 | -17 | 174.4 | 49.2 | 0 | 0 | 0 | 0 | 113.2 | T2336 E2354 K2356 F2390 | T2336-T2338 PolarHBondContact O-N 2.93Å; T2338-E2354 WeakPolarHBondContact CB-OE1 3.35Å; T2338-E2354 PolarHBondContact N-O 2.96Å; T2338-E2354 VanDerWaalsContact N-O 3.08Å; T2338-E2354 VanDerWaalsContact OG1-C 3.25Å; T2338-E2354 VanDerWaalsContact OG1-CB 3.31Å; T2338-E2354 WeakPolarHBondContact OG1-CB 3.39Å; T2338-E2354 VanDerWaalsContact OG1-CD 3.27Å; T2338-E2354 VanDerWaalsContact OG1-CG 3.25Å; T2338-E2354 WeakPolarHBondContact OG1-CG 3.35Å; T2338-E2354 PolarHBondContact OG1-O 3.14Å; T2338-E2354 VanDerWaalsContact OG1-O 3.07Å; T2338-E2354 PolarHBondContact OG1-OE1 2.96Å; T2338-E2354 PolarHBondContact OG1-OE2 2.88Å; T2338-K2356 HydrophobicContact CG2-CB 4.12Å; T2338-F2390 HydrophobicContact CG2-CE1 4.31Å | ||
| 2339 | S | 76.2 | Confident | 81.8 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 20% | 0.203 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -98.2 | -179.1 | 175.5 | 63.9 | 0 | 0 | 0 | 0 | 113.7 | L2337 F2353 E2354 | L2337-S2339 VanDerWaalsContact CD1-OG 3.31Å; L2337-S2339 WeakPolarHBondContact CD1-OG 3.32Å; L2337-S2339 VanDerWaalsContact CD2-O 3.24Å; L2337-S2339 WeakPolarHBondContact CD2-O 3.27Å; L2337-S2339 VanDerWaalsContact CG-O 3.27Å; L2337-S2339 WeakPolarHBondContact CG-O 3.37Å; S2339-F2353 WeakPolarHBondContact OG-CA 3.31Å; S2339-E2354 PolarHBondContact N-O 3.14Å; S2339-E2354 PolarHBondContact OG-N 3.14Å; S2339-E2354 PolarHBondContact OG-O 2.99Å |
| 2340 | E | 79.9 | Confident | 82.7 | Confident | 120.4 Ų | 120.4 | 58.6 Ų | 58.6 | 56% | 0.563 | 33% | 0.332 | S | S | * | . | trans | -68.1 | 137.4 | 174 | -66.3 | -171.6 | 162.8 | 0 | 0 | 111.6 | M2342 L2343 | E2340-M2342 VanDerWaalsContact C-N 3.28Å; E2340-M2342 PolarHBondContact O-N 2.88Å; E2340-M2342 VanDerWaalsContact O-N 3.16Å; E2340-L2343 HydrophobicContact CB-CD1 4.46Å | ||
| 2341 | K | 81 | Confident | 83.2 | Confident | 134 Ų | 134 | 56 Ų | 56 | 58% | 0.583 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -65.4 | -26.6 | -180 | -169.7 | 174.4 | 180 | -179.5 | 0 | 113 | L2337 E2420 V2421 E2422 | L2337-K2341 VanDerWaalsContact CD2-CA 3.49Å; L2337-K2341 HydrophobicContact CD2-CB 3.73Å; L2337-K2341 HydrophobicContact CD2-CG 4.19Å; K2341-E2420 WeakPolarHBondContact CE-O 3.39Å; K2341-E2420 WeakPolarHBondContact CE-OE1 3.25Å; K2341-E2420 IonicContact NZ-OE1 3.71Å; K2341-E2420 PolarHBondContact NZ-OE1 3.31Å; K2341-V2421 CarbonylContact O-C 3.55Å; K2341-V2421 WeakPolarHBondContact O-CA 3.2Å; K2341-E2422 PolarHBondContact O-N 3.07Å |
| 2342 | M | 85.4 | Confident | 83.8 | Confident | 84 Ų | 84 | 55.8 Ų | 55.8 | 41% | 0.414 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 111.6 | -179.9 | -177.2 | -174.5 | 121.7 | 0 | 0 | 109.2 | E2340 S2344 E2422 K2424 | E2340-M2342 VanDerWaalsContact C-N 3.28Å; E2340-M2342 PolarHBondContact O-N 2.88Å; E2340-M2342 VanDerWaalsContact O-N 3.16Å; M2342-S2344 WeakPolarHBondContact CE-OG 3.44Å; M2342-E2422 CarbonylContact C-O 3.55Å; M2342-E2422 VanDerWaalsContact CA-O 3.27Å; M2342-E2422 WeakPolarHBondContact CA-O 3.37Å; M2342-E2422 HydrophobicContact CB-CB 4.43Å; M2342-E2422 HydrophobicContact CG-CB 4.19Å; M2342-E2422 HydrophobicContact CG-CG 4.45Å; M2342-K2424 HydrophobicContact CE-CD 3.75Å; M2342-K2424 VanDerWaalsContact CE-CD 3.44Å; M2342-K2424 HydrophobicContact CE-CG 4.19Å; M2342-K2424 HydrophobicContact CG-CD 4.47Å; M2342-K2424 HydrophobicContact SD-CD 3.98Å; M2342-K2424 PolarHBondContact SD-NZ 3.04Å |
| 2343 | L | 86.3 | Confident | 84.1 | Confident | 28.4 Ų | 28.4 | 52.3 Ų | 52.3 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 124.6 | -179.8 | -166.8 | 74.2 | 0 | 0 | 0 | 109.6 | E2340 I2345 A2351 F2353 E2422 L2423 K2424 | E2340-L2343 HydrophobicContact CB-CD1 4.46Å; L2343-I2345 HydrophobicContact CD1-CG2 4.32Å; L2343-I2345 HydrophobicContact CD2-CD1 4.46Å; L2343-I2345 HydrophobicContact CD2-CG2 4.1Å; L2343-I2345 HydrophobicContact CG-CG2 4.02Å; L2343-A2351 HydrophobicContact CD2-CB 3.88Å; L2343-F2353 HydrophobicContact CB-CE1 3.71Å; L2343-F2353 HydrophobicContact CB-CZ 3.79Å; L2343-F2353 HydrophobicContact CD2-CE1 4.31Å; L2343-F2353 HydrophobicContact CD2-CZ 4.22Å; L2343-E2422 PolarHBondContact N-O 2.95Å; L2343-L2423 HydrophobicContact CB-CD1 4.18Å; L2343-L2423 HydrophobicContact CD2-CD1 4.12Å; L2343-L2423 HydrophobicContact CG-CD1 4.38Å; L2343-L2423 CarbonylContact O-C 3.54Å; L2343-L2423 WeakPolarHBondContact O-CA 3.2Å; L2343-K2424 PolarHBondContact O-N 3.15Å |
| 2344 | S | 87.5 | Confident | 84.2 | Confident | 57.8 Ų | 57.8 | 54 Ų | 54 | 40% | 0.404 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 108.5 | 176.7 | -105.1 | 0 | 0 | 0 | 0 | 110.7 | M2342 K2424 Q2426 | M2342-S2344 WeakPolarHBondContact CE-OG 3.44Å; S2344-K2424 CarbonylContact C-O 3.52Å; S2344-K2424 VanDerWaalsContact CA-O 3.26Å; S2344-K2424 WeakPolarHBondContact CA-O 3.4Å; S2344-Q2426 PolarHBondContact OG-NE2 3.46Å; S2344-Q2426 VanDerWaalsContact OG-NE2 3.15Å |
| 2345 | I | 85.8 | Confident | 84.4 | Confident | 14.4 Ų | 14.4 | 52 Ų | 52 | 7% | 0.074 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 162.4 | -176 | 58.1 | 172.4 | 0 | 0 | 0 | 111.5 | L2343 Q2349 A2351 A2398 L2423 K2424 V2425 Q2426 | L2343-I2345 HydrophobicContact CD1-CG2 4.32Å; L2343-I2345 HydrophobicContact CD2-CD1 4.46Å; L2343-I2345 HydrophobicContact CD2-CG2 4.1Å; L2343-I2345 HydrophobicContact CG-CG2 4.02Å; I2345-Q2349 HydrophobicContact CB-CB 4.12Å; I2345-Q2349 HydrophobicContact CD1-CB 4.3Å; I2345-Q2349 HydrophobicContact CG2-CB 4.47Å; I2345-A2351 HydrophobicContact CD1-CB 3.69Å; I2345-A2398 HydrophobicContact CD1-CB 3.44Å; I2345-A2398 VanDerWaalsContact CD1-CB 3.43Å; I2345-A2398 HydrophobicContact CG1-CB 4.44Å; I2345-L2423 HydrophobicContact CD1-CD1 3.98Å; I2345-L2423 HydrophobicContact CG1-CD1 3.98Å; I2345-K2424 PolarHBondContact N-O 3.01Å; I2345-V2425 HydrophobicContact CG1-CG2 4.28Å; I2345-V2425 CarbonylContact O-C 3.51Å; I2345-V2425 VanDerWaalsContact O-CA 3.29Å; I2345-V2425 WeakPolarHBondContact O-CA 3.38Å; I2345-Q2426 PolarHBondContact O-N 2.99Å |
| 2346 | N | 80.6 | Confident | 84.3 | Confident | 64.4 Ų | 64.4 | 54.5 Ų | 54.5 | 34% | 0.344 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 152.3 | 170.8 | -62.7 | -36.7 | 0 | 0 | 0 | 110.6 | G2348 Q2349 M2428 | N2346-G2348 PolarHBondContact O-N 3.05Å; N2346-Q2349 HydrophobicContact CB-CG 4.34Å; N2346-Q2349 VanDerWaalsContact CB-OE1 3.31Å; N2346-Q2349 PolarHBondContact ND2-OE1 3.12Å; N2346-Q2349 VanDerWaalsContact O-CB 3.28Å; N2346-Q2349 WeakPolarHBondContact O-CB 3.39Å; N2346-Q2349 WeakPolarHBondContact O-CG 3.36Å; N2346-Q2349 PolarHBondContact O-N 3.11Å; N2346-Q2349 VanDerWaalsContact O-N 3.11Å; N2346-M2428 HydrophobicContact CB-CG 4.39Å |
| 2347 | E | 76.9 | Confident | 84.4 | Confident | 53.2 Ų | 53.2 | 51.1 Ų | 51.1 | 25% | 0.249 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | 131.6 | 170.1 | 176 | 173.7 | -171.1 | 0 | 0 | 111.5 | Q1715 A2398 P2400 V2425 Q2426 | Q1715-E2347 PolarHBondContact NE2-OE1 2.96Å; Q1715-E2347 PolarHBondContact NE2-OE2 2.89Å; Q1715-E2347 PolarHBondContact OE1-OE2 3.28Å; E2347-A2398 WeakPolarHBondContact CA-O 3.37Å; E2347-P2400 HydrophobicContact CB-CG 4.34Å; E2347-P2400 VanDerWaalsContact CD-CG 3.44Å; E2347-P2400 HydrophobicContact CG-CG 4.1Å; E2347-P2400 WeakPolarHBondContact OE1-CD 3.19Å; E2347-P2400 WeakPolarHBondContact OE2-CG 3.44Å; E2347-V2425 HydrophobicContact CB-CG1 4.22Å; E2347-Q2426 PolarHBondContact N-O 3.23Å; E2347-Q2426 VanDerWaalsContact N-O 3.13Å |
| 2348 | G | 72 | Confident | 84.3 | Confident | 41.4 Ų | 41.4 | 52.5 Ų | 52.5 | 43% | 0.427 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -12.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | N2346 P2397 A2398 | N2346-G2348 PolarHBondContact O-N 3.05Å; G2348-P2397 WeakPolarHBondContact O-CB 3.4Å; G2348-A2398 PolarHBondContact N-O 3.07Å |
| 2349 | Q | 79.2 | Confident | 84.5 | Confident | 73.4 Ų | 73.4 | 50.4 Ų | 50.4 | 34% | 0.343 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -79.9 | 166.2 | 175.2 | -64.3 | -169.6 | -65.4 | 0 | 0 | 112 | I2345 N2346 A2398 F2946 | I2345-Q2349 HydrophobicContact CB-CB 4.12Å; I2345-Q2349 HydrophobicContact CD1-CB 4.3Å; I2345-Q2349 HydrophobicContact CG2-CB 4.47Å; N2346-Q2349 HydrophobicContact CB-CG 4.34Å; N2346-Q2349 VanDerWaalsContact CB-OE1 3.31Å; N2346-Q2349 PolarHBondContact ND2-OE1 3.12Å; N2346-Q2349 VanDerWaalsContact O-CB 3.28Å; N2346-Q2349 WeakPolarHBondContact O-CB 3.39Å; N2346-Q2349 WeakPolarHBondContact O-CG 3.36Å; N2346-Q2349 PolarHBondContact O-N 3.11Å; N2346-Q2349 VanDerWaalsContact O-N 3.11Å; Q2349-A2398 VanDerWaalsContact O-CB 3.23Å; Q2349-A2398 WeakPolarHBondContact O-CB 3.4Å; Q2349-A2398 PolarHBondContact O-N 2.92Å; Q2349-F2946 HydrophobicContact CG-CD2 4.41Å; Q2349-F2946 HydrophobicContact CG-CE2 4.34Å; Q2349-F2946 PolarHBondContact NE2-O 3.26Å |
| 2350 | V | 85.5 | Confident | 84.7 | Confident | 68.6 Ų | 68.6 | 54.9 Ų | 54.9 | 42% | 0.416 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -88.3 | 127.2 | 176.9 | 179.9 | 0 | 0 | 0 | 0 | 109.7 | E2394 I2395 A2396 | V2350-E2394 HydrophobicContact CG1-CG 3.84Å; V2350-I2395 CarbonylContact C-O 3.54Å; V2350-I2395 VanDerWaalsContact CA-O 3.31Å; V2350-I2395 WeakPolarHBondContact CA-O 3.3Å; V2350-A2396 HydrophobicContact CB-CB 4.44Å; V2350-A2396 HydrophobicContact CG1-CB 4.09Å; V2350-A2396 HydrophobicContact CG2-CB 3.8Å |
| 2351 | A | 87.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 134 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L2343 I2345 F2353 E2394 I2395 A2398 L2423 | L2343-A2351 HydrophobicContact CD2-CB 3.88Å; I2345-A2351 HydrophobicContact CD1-CB 3.69Å; A2351-F2353 HydrophobicContact CB-CE2 4.32Å; A2351-E2394 CarbonylContact O-C 3.51Å; A2351-E2394 WeakPolarHBondContact O-CA 3.24Å; A2351-I2395 HydrophobicContact CB-CB 4.06Å; A2351-I2395 HydrophobicContact CB-CD1 4.37Å; A2351-I2395 HydrophobicContact CB-CG1 4.43Å; A2351-I2395 PolarHBondContact N-O 3.06Å; A2351-I2395 PolarHBondContact O-N 3.1Å; A2351-A2398 HydrophobicContact CB-CB 4.44Å; A2351-L2423 HydrophobicContact CB-CD1 3.72Å; A2351-L2423 HydrophobicContact CB-CD2 3.92Å; A2351-L2423 HydrophobicContact CB-CG 4.47Å |
| 2352 | H | 91.2 | Very high | 84.7 | Confident | 65.6 Ų | 65.6 | 47 Ų | 47 | 30% | 0.304 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 122.6 | 179.9 | -179.8 | 91 | 0 | 0 | 0 | 110.1 | E2354 V2392 L2393 E2394 | H2352-E2354 IonicContact NE2-OE2 3.21Å; H2352-E2354 PolarHBondContact NE2-OE2 3.47Å; H2352-V2392 VanDerWaalsContact CE1-CG1 3.41Å; H2352-V2392 WeakPolarHBondContact CE1-CG1 3.29Å; H2352-L2393 WeakPolarHBondContact CA-O 3.39Å; H2352-E2394 IonicContact ND1-OE2 3.77Å |
| 2353 | F | 91.6 | Very high | 84.3 | Confident | 0.2 Ų | 0.2 | 48.2 Ų | 48.2 | 0% | 0.001 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 136.8 | 174.4 | -62.7 | -69.9 | 0 | 0 | 0 | 110 | S2339 L2343 A2351 W2369 V2392 L2393 Y2406 V2421 L2423 | S2339-F2353 WeakPolarHBondContact OG-CA 3.31Å; L2343-F2353 HydrophobicContact CB-CE1 3.71Å; L2343-F2353 HydrophobicContact CB-CZ 3.79Å; L2343-F2353 HydrophobicContact CD2-CE1 4.31Å; L2343-F2353 HydrophobicContact CD2-CZ 4.22Å; A2351-F2353 HydrophobicContact CB-CE2 4.32Å; F2353-W2369 HydrophobicContact CB-CH2 4.17Å; F2353-W2369 HydrophobicContact CB-CZ3 4.46Å; F2353-V2392 CarbonylContact O-C 3.52Å; F2353-V2392 VanDerWaalsContact O-CA 3.28Å; F2353-V2392 WeakPolarHBondContact O-CA 3.29Å; F2353-L2393 HydrophobicContact CB-CB 4.48Å; F2353-L2393 HydrophobicContact CD2-CD2 4.37Å; F2353-L2393 PolarHBondContact N-O 3.11Å; F2353-L2393 PolarHBondContact O-N 3.08Å; F2353-Y2406 HydrophobicContact CE2-CD2 4.32Å; F2353-Y2406 HydrophobicContact CE2-CG 4.46Å; F2353-V2421 HydrophobicContact CB-CG2 4.14Å; F2353-V2421 HydrophobicContact CD1-CB 3.68Å; F2353-V2421 HydrophobicContact CD1-CG1 3.92Å; F2353-V2421 HydrophobicContact CD1-CG2 3.54Å; F2353-V2421 VanDerWaalsContact CD1-CG2 3.46Å; F2353-V2421 HydrophobicContact CD2-CG2 3.89Å; F2353-V2421 HydrophobicContact CE1-CB 3.69Å; F2353-V2421 HydrophobicContact CE1-CG1 4.3Å; F2353-V2421 HydrophobicContact CE1-CG2 3.78Å; F2353-V2421 HydrophobicContact CE2-CG2 4.1Å; F2353-V2421 HydrophobicContact CG-CB 4.27Å; F2353-V2421 HydrophobicContact CG-CG2 3.59Å; F2353-V2421 HydrophobicContact CZ-CB 4.27Å; F2353-V2421 HydrophobicContact CZ-CG2 4.05Å; F2353-L2423 HydrophobicContact CE2-CB 4.15Å; F2353-L2423 HydrophobicContact CE2-CD1 4.45Å; F2353-L2423 HydrophobicContact CZ-CB 4Å; F2353-L2423 HydrophobicContact CZ-CD1 4.26Å |
| 2354 | E | 91.1 | Very high | 84.1 | Confident | 43 Ų | 43 | 48 Ų | 48 | 20% | 0.201 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 132.7 | -176.2 | -172.9 | -170.5 | 147.5 | 0 | 0 | 110.3 | T2338 S2339 H2352 F2390 V2391 V2392 | T2338-E2354 WeakPolarHBondContact CB-OE1 3.35Å; T2338-E2354 PolarHBondContact N-O 2.96Å; T2338-E2354 VanDerWaalsContact N-O 3.08Å; T2338-E2354 VanDerWaalsContact OG1-C 3.25Å; T2338-E2354 VanDerWaalsContact OG1-CB 3.31Å; T2338-E2354 WeakPolarHBondContact OG1-CB 3.39Å; T2338-E2354 VanDerWaalsContact OG1-CD 3.27Å; T2338-E2354 VanDerWaalsContact OG1-CG 3.25Å; T2338-E2354 WeakPolarHBondContact OG1-CG 3.35Å; T2338-E2354 PolarHBondContact OG1-O 3.14Å; T2338-E2354 VanDerWaalsContact OG1-O 3.07Å; T2338-E2354 PolarHBondContact OG1-OE1 2.96Å; T2338-E2354 PolarHBondContact OG1-OE2 2.88Å; S2339-E2354 PolarHBondContact N-O 3.14Å; S2339-E2354 PolarHBondContact OG-N 3.14Å; S2339-E2354 PolarHBondContact OG-O 2.99Å; H2352-E2354 IonicContact NE2-OE2 3.21Å; H2352-E2354 PolarHBondContact NE2-OE2 3.47Å; E2354-F2390 HydrophobicContact CG-CB 4.47Å; E2354-F2390 HydrophobicContact CG-CD1 4.11Å; E2354-F2390 HydrophobicContact CG-CG 4.48Å; E2354-F2390 VanDerWaalsContact OE1-CD1 3.26Å; E2354-F2390 WeakPolarHBondContact OE1-CD1 3.3Å; E2354-F2390 WeakPolarHBondContact OE1-CE1 3.24Å; E2354-V2391 CarbonylContact C-O 3.47Å; E2354-V2391 WeakPolarHBondContact CA-O 3.42Å; E2354-V2392 HydrophobicContact CB-CG2 4.39Å; E2354-V2392 HydrophobicContact CG-CG2 4.05Å |
| 2355 | F | 91.5 | Very high | 84.1 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 137.6 | 174.2 | -62.1 | -83.5 | 0 | 0 | 0 | 110.1 | L2335 T2336 L2337 W2369 F2390 V2391 C2408 A2419 V2421 | L2335-F2355 HydrophobicContact CD2-CB 4.11Å; T2336-F2355 CarbonylContact O-C 3.53Å; T2336-F2355 WeakPolarHBondContact O-CA 3.29Å; L2337-F2355 VanDerWaalsContact CA-CD1 3.47Å; L2337-F2355 HydrophobicContact CB-CD1 3.86Å; L2337-F2355 HydrophobicContact CB-CE1 3.82Å; L2337-F2355 HydrophobicContact CD1-CD1 3.79Å; L2337-F2355 HydrophobicContact CD1-CE1 3.4Å; L2337-F2355 VanDerWaalsContact CD1-CE1 3.42Å; L2337-F2355 HydrophobicContact CD1-CG 4.48Å; L2337-F2355 HydrophobicContact CD1-CZ 3.91Å; L2337-F2355 HydrophobicContact CG-CD1 4.38Å; L2337-F2355 HydrophobicContact CG-CE1 4.16Å; F2355-W2369 AromaticContact CD2-CH2 3.67Å; F2355-W2369 HydrophobicContact CD2-CH2 3.67Å; F2355-W2369 AromaticContact CD2-CZ2 3.94Å; F2355-W2369 HydrophobicContact CD2-CZ2 3.98Å; F2355-W2369 HydrophobicContact CD2-CZ3 4.46Å; F2355-W2369 AromaticContact CE2-CH2 3.34Å; F2355-W2369 HydrophobicContact CE2-CH2 3.34Å; F2355-W2369 VanDerWaalsContact CE2-CH2 3.41Å; F2355-W2369 AromaticContact CE2-CZ2 3.96Å; F2355-W2369 HydrophobicContact CE2-CZ2 4.08Å; F2355-W2369 AromaticContact CE2-CZ3 3.81Å; F2355-W2369 HydrophobicContact CE2-CZ3 3.81Å; F2355-W2369 HydrophobicContact CZ-CH2 4.46Å; F2355-F2390 CarbonylContact O-C 3.47Å; F2355-F2390 VanDerWaalsContact O-CA 3.26Å; F2355-F2390 WeakPolarHBondContact O-CA 3.26Å; F2355-V2391 HydrophobicContact CB-CB 4.42Å; F2355-V2391 PolarHBondContact N-O 3.04Å; F2355-V2391 PolarHBondContact O-N 3.03Å; F2355-C2408 HydrophobicContact CD2-CB 3.8Å; F2355-C2408 HydrophobicContact CE2-CB 3.6Å; F2355-C2408 VanDerWaalsContact CE2-CB 3.49Å; F2355-C2408 HydrophobicContact CG-CB 4.46Å; F2355-C2408 HydrophobicContact CZ-CB 4.3Å; F2355-A2419 HydrophobicContact CD1-CB 3.58Å; F2355-A2419 HydrophobicContact CE1-CB 3.21Å; F2355-A2419 HydrophobicContact CG-CB 4.4Å; F2355-A2419 HydrophobicContact CZ-CB 3.78Å; F2355-V2421 HydrophobicContact CE1-CG1 4.13Å; F2355-V2421 HydrophobicContact CE2-CG1 4.44Å; F2355-V2421 HydrophobicContact CZ-CB 4.49Å; F2355-V2421 HydrophobicContact CZ-CG1 3.6Å; F2355-V2421 HydrophobicContact CZ-CG2 4.29Å |
| 2356 | K | 88.2 | Confident | 84.1 | Confident | 69.2 Ų | 69.2 | 51.8 Ų | 51.8 | 30% | 0.301 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 130.9 | 166.3 | -168.8 | -172.6 | -177.1 | -157.4 | 0 | 109.7 | L2335 T2336 T2338 E2358 G2389 F2390 | L2335-K2356 CarbonylContact C-O 3.5Å; L2335-K2356 WeakPolarHBondContact CA-O 3.38Å; T2336-K2356 PolarHBondContact N-O 2.98Å; T2336-K2356 PolarHBondContact O-N 2.95Å; T2338-K2356 HydrophobicContact CG2-CB 4.12Å; K2356-E2358 HydrophobicContact CD-CG 4.47Å; K2356-E2358 VanDerWaalsContact CE-CD 3.44Å; K2356-E2358 VanDerWaalsContact CE-OE1 3.25Å; K2356-E2358 WeakPolarHBondContact CE-OE1 3.25Å; K2356-E2358 IonicContact NZ-OE1 3.1Å; K2356-E2358 PolarHBondContact NZ-OE1 2.95Å; K2356-E2358 IonicContact NZ-OE2 3.67Å; K2356-E2358 PolarHBondContact NZ-OE2 2.92Å; K2356-G2389 CarbonylContact C-O 3.53Å; K2356-G2389 VanDerWaalsContact CA-O 3.28Å; K2356-G2389 WeakPolarHBondContact CA-O 3.32Å; K2356-F2390 HydrophobicContact CB-CD1 4.34Å; K2356-F2390 HydrophobicContact CB-CE1 4.12Å; K2356-F2390 HydrophobicContact CG-CE1 4.15Å; K2356-F2390 HydrophobicContact CG-CZ 4.49Å |
| 2357 | L | 89.4 | Confident | 84.5 | Confident | 8.6 Ų | 8.6 | 50.3 Ų | 50.3 | 5% | 0.045 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 122.6 | -179.2 | 176.2 | 67.5 | 0 | 0 | 0 | 110 | P2333 A2334 L2335 F2360 I2365 V2367 H2386 G2389 V2391 A2410 | P2333-L2357 HydrophobicContact CB-CD1 4.09Å; A2334-L2357 WeakPolarHBondContact O-CA 3.27Å; L2335-L2357 HydrophobicContact CD2-CB 4.26Å; L2335-L2357 HydrophobicContact CD2-CD1 3.79Å; L2335-L2357 HydrophobicContact CD2-CG 4.49Å; L2335-L2357 HydrophobicContact CG-CD1 4.29Å; L2357-F2360 HydrophobicContact CD2-CB 4.35Å; L2357-F2360 HydrophobicContact CG-CB 4.37Å; L2357-F2360 WeakPolarHBondContact O-CB 3.48Å; L2357-I2365 HydrophobicContact CD1-CD1 4.48Å; L2357-I2365 HydrophobicContact CD1-CG2 4.44Å; L2357-I2365 HydrophobicContact CD2-CD1 4.34Å; L2357-I2365 HydrophobicContact CD2-CG2 3.88Å; L2357-I2365 HydrophobicContact CG-CD1 4.45Å; L2357-V2367 HydrophobicContact CD2-CG2 4.09Å; L2357-H2386 VanDerWaalsContact CD2-NE2 3.25Å; L2357-H2386 WeakPolarHBondContact CD2-NE2 3.35Å; L2357-G2389 PolarHBondContact N-O 3.14Å; L2357-G2389 WeakPolarHBondContact O-CA 3.09Å; L2357-V2391 HydrophobicContact CB-CG2 4.2Å; L2357-V2391 HydrophobicContact CD2-CG2 4.16Å; L2357-A2410 HydrophobicContact CD1-CB 3.64Å |
| 2358 | E | 82.9 | Confident | 85.1 | Confident | 84.2 Ų | 84.2 | 51.9 Ų | 51.9 | 39% | 0.393 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 136.8 | 172.9 | -69.8 | -176.4 | 168 | 0 | 0 | 110.6 | P2333 A2334 K2356 K2584 | P2333-E2358 CarbonylContact C-O 3.54Å; P2333-E2358 WeakPolarHBondContact CA-O 3.41Å; A2334-E2358 PolarHBondContact N-O 2.96Å; A2334-E2358 PolarHBondContact O-N 3.04Å; A2334-E2358 VanDerWaalsContact O-N 3.08Å; K2356-E2358 HydrophobicContact CD-CG 4.47Å; K2356-E2358 VanDerWaalsContact CE-CD 3.44Å; K2356-E2358 VanDerWaalsContact CE-OE1 3.25Å; K2356-E2358 WeakPolarHBondContact CE-OE1 3.25Å; K2356-E2358 IonicContact NZ-OE1 3.1Å; K2356-E2358 PolarHBondContact NZ-OE1 2.95Å; K2356-E2358 IonicContact NZ-OE2 3.67Å; K2356-E2358 PolarHBondContact NZ-OE2 2.92Å; E2358-K2584 IonicContact OE2-NZ 3.92Å |
| 2359 | P | 84.1 | Confident | 85.9 | Confident | 18.6 Ų | 18.6 | 50.6 Ų | 50.6 | 12% | 0.121 | 26% | 0.257 | C | S | . | . | S | Bend | cis | -71.9 | 143.3 | -6.8 | 33.6 | -34.9 | 0 | 0 | 0 | 110.5 | Y2330 P2331 P2332 D2361 D2362 I2365 | Y2330-P2359 HydrophobicContact CD1-CB 4.44Å; Y2330-P2359 HydrophobicContact CD1-CG 4.33Å; P2331-P2359 HydrophobicContact CG-CB 4.25Å; P2331-P2359 HydrophobicContact CG-CG 4.1Å; P2332-P2359 VanDerWaalsContact O-CD 3.29Å; P2332-P2359 WeakPolarHBondContact O-CD 3.33Å; P2359-D2361 VanDerWaalsContact C-N 3.33Å; P2359-D2361 WeakPolarHBondContact CA-OD1 3.31Å; P2359-D2361 VanDerWaalsContact CB-OD1 3.26Å; P2359-D2361 WeakPolarHBondContact CB-OD1 3.15Å; P2359-D2361 WeakPolarHBondContact CG-OD1 3.37Å; P2359-D2361 PolarHBondContact O-N 2.77Å; P2359-D2362 HydrophobicContact CG-CB 3.95Å; P2359-I2365 HydrophobicContact CG-CD1 4.44Å; P2359-I2365 WeakPolarHBondContact O-CD1 3.41Å |
| 2360 | F | 81.3 | Confident | 86.4 | Confident | 122 Ų | 122 | 49.2 Ų | 49.2 | 54% | 0.535 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -89.3 | -6.7 | -177.2 | 68.1 | -89 | 0 | 0 | 0 | 113.8 | L2357 F2388 G2389 | L2357-F2360 HydrophobicContact CD2-CB 4.35Å; L2357-F2360 HydrophobicContact CG-CB 4.37Å; L2357-F2360 WeakPolarHBondContact O-CB 3.48Å; F2360-F2388 VanDerWaalsContact CD2-C 3.45Å; F2360-G2389 VanDerWaalsContact CB-CA 3.46Å; F2360-G2389 VanDerWaalsContact CD2-N 3.3Å |
| 2361 | D | 78.3 | Confident | 86.5 | Confident | 77.8 Ų | 77.8 | 48.8 Ų | 48.8 | 42% | 0.416 | 24% | 0.241 | S | C | . | . | trans | -112.4 | 0 | -164.1 | 66 | -35.6 | 0 | 0 | 0 | 112.7 | Y2330 P2359 P2363 | Y2330-D2361 VanDerWaalsContact CD1-CG 3.45Å; Y2330-D2361 WeakPolarHBondContact CD1-OD1 3.15Å; Y2330-D2361 WeakPolarHBondContact CD1-OD2 3.42Å; Y2330-D2361 HydrophobicContact CE1-CB 4.19Å; Y2330-D2361 WeakPolarHBondContact CE1-O 3.28Å; Y2330-D2361 WeakPolarHBondContact CE1-OD1 3.45Å; Y2330-D2361 VanDerWaalsContact CE1-OD2 3.25Å; Y2330-D2361 WeakPolarHBondContact CE1-OD2 3.49Å; Y2330-D2361 PolarHBondContact OH-O 2.66Å; P2359-D2361 VanDerWaalsContact C-N 3.33Å; P2359-D2361 WeakPolarHBondContact CA-OD1 3.31Å; P2359-D2361 VanDerWaalsContact CB-OD1 3.26Å; P2359-D2361 WeakPolarHBondContact CB-OD1 3.15Å; P2359-D2361 WeakPolarHBondContact CG-OD1 3.37Å; P2359-D2361 PolarHBondContact O-N 2.77Å; D2361-P2363 VanDerWaalsContact O-CD 3.26Å; D2361-P2363 WeakPolarHBondContact O-CD 3.25Å | ||
| 2362 | D | 82.2 | Confident | 86.3 | Confident | 10.2 Ų | 10.2 | 52.6 Ų | 52.6 | 6% | 0.055 | 26% | 0.262 | C | S | . | . | trans | -74.3 | 110.1 | 170.2 | -177.6 | -7 | 0 | 0 | 0 | 110.3 | Y2330 P2359 S2364 I2365 S2412 | Y2330-D2362 VanDerWaalsContact CB-OD2 3.26Å; Y2330-D2362 WeakPolarHBondContact CB-OD2 3.43Å; Y2330-D2362 HydrophobicContact CD1-CB 3.76Å; Y2330-D2362 VanDerWaalsContact CD1-CB 3.5Å; Y2330-D2362 VanDerWaalsContact CD2-CA 3.48Å; Y2330-D2362 HydrophobicContact CD2-CB 4Å; Y2330-D2362 VanDerWaalsContact CD2-CB 3.46Å; Y2330-D2362 VanDerWaalsContact CD2-CG 3.49Å; Y2330-D2362 VanDerWaalsContact CD2-OD1 3.26Å; Y2330-D2362 WeakPolarHBondContact CD2-OD1 3.43Å; Y2330-D2362 VanDerWaalsContact CE1-CA 3.46Å; Y2330-D2362 HydrophobicContact CE1-CB 4.09Å; Y2330-D2362 VanDerWaalsContact CE2-CA 3.47Å; Y2330-D2362 HydrophobicContact CE2-CB 4.27Å; Y2330-D2362 HydrophobicContact CG-CB 3.75Å; Y2330-D2362 VanDerWaalsContact CG-CB 3.48Å; Y2330-D2362 VanDerWaalsContact CG-CG 3.44Å; Y2330-D2362 VanDerWaalsContact CZ-CA 3.43Å; P2359-D2362 HydrophobicContact CG-CB 3.95Å; D2362-S2364 VanDerWaalsContact CG-OG 3.26Å; D2362-S2364 PolarHBondContact O-N 3.09Å; D2362-S2364 VanDerWaalsContact O-N 3.11Å; D2362-S2364 WeakPolarHBondContact OD1-CA 3.33Å; D2362-S2364 VanDerWaalsContact OD1-CB 3.28Å; D2362-S2364 WeakPolarHBondContact OD1-CB 3.35Å; D2362-S2364 PolarHBondContact OD1-N 2.85Å; D2362-S2364 PolarHBondContact OD1-OG 3.07Å; D2362-S2364 PolarHBondContact OD2-OG 2.78Å; D2362-S2364 VanDerWaalsContact OD2-OG 3.14Å; D2362-I2365 HydrophobicContact CB-CB 4.41Å; D2362-I2365 HydrophobicContact CB-CD1 3.73Å; D2362-I2365 HydrophobicContact CB-CG1 3.87Å; D2362-I2365 WeakPolarHBondContact O-CB 3.28Å; D2362-I2365 PolarHBondContact O-N 3.02Å; D2362-I2365 VanDerWaalsContact O-N 3.12Å; D2362-S2412 VanDerWaalsContact OD2-CB 3.29Å; D2362-S2412 WeakPolarHBondContact OD2-CB 3.31Å; D2362-S2412 PolarHBondContact OD2-OG 3.33Å; D2362-S2412 VanDerWaalsContact OD2-OG 3.12Å | ||
| 2363 | P | 77.5 | Confident | 85.7 | Confident | 109.4 Ų | 109.4 | 52.4 Ų | 52.4 | 71% | 0.71 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -5.3 | -179.4 | 31.3 | -35.5 | 0 | 0 | 0 | 112.9 | E2327 Y2330 D2361 | E2327-P2363 HydrophobicContact CB-CG 4.27Å; E2327-P2363 HydrophobicContact CG-CB 4.36Å; E2327-P2363 HydrophobicContact CG-CG 3.74Å; Y2330-P2363 HydrophobicContact CE2-CG 4.43Å; Y2330-P2363 VanDerWaalsContact OH-CD 3.32Å; Y2330-P2363 WeakPolarHBondContact OH-CD 3.39Å; D2361-P2363 VanDerWaalsContact O-CD 3.26Å; D2361-P2363 WeakPolarHBondContact O-CD 3.25Å |
| 2364 | S | 81.2 | Confident | 85.2 | Confident | 24.8 Ų | 24.8 | 58.5 Ų | 58.5 | 17% | 0.173 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -4.5 | 174.4 | 77.9 | 0 | 0 | 0 | 0 | 114.5 | D2362 Q2366 K2413 | D2362-S2364 VanDerWaalsContact CG-OG 3.26Å; D2362-S2364 PolarHBondContact O-N 3.09Å; D2362-S2364 VanDerWaalsContact O-N 3.11Å; D2362-S2364 WeakPolarHBondContact OD1-CA 3.33Å; D2362-S2364 VanDerWaalsContact OD1-CB 3.28Å; D2362-S2364 WeakPolarHBondContact OD1-CB 3.35Å; D2362-S2364 PolarHBondContact OD1-N 2.85Å; D2362-S2364 PolarHBondContact OD1-OG 3.07Å; D2362-S2364 PolarHBondContact OD2-OG 2.78Å; D2362-S2364 VanDerWaalsContact OD2-OG 3.14Å; S2364-Q2366 PolarHBondContact O-N 2.9Å; S2364-K2413 PolarHBondContact OG-N 2.86Å; S2364-K2413 VanDerWaalsContact OG-N 3.11Å |
| 2365 | I | 87.3 | Confident | 84.9 | Confident | 25.4 Ų | 25.4 | 60.9 Ų | 60.9 | 13% | 0.13 | 33% | 0.325 | C | S | . | . | trans | -70.9 | 127.2 | 177.8 | -69.5 | 169.7 | 0 | 0 | 0 | 111.1 | P2333 L2357 P2359 D2362 V2367 A2410 T2411 | P2333-I2365 HydrophobicContact CB-CD1 4.33Å; P2333-I2365 HydrophobicContact CB-CG1 4.44Å; L2357-I2365 HydrophobicContact CD1-CD1 4.48Å; L2357-I2365 HydrophobicContact CD1-CG2 4.44Å; L2357-I2365 HydrophobicContact CD2-CD1 4.34Å; L2357-I2365 HydrophobicContact CD2-CG2 3.88Å; L2357-I2365 HydrophobicContact CG-CD1 4.45Å; P2359-I2365 HydrophobicContact CG-CD1 4.44Å; P2359-I2365 WeakPolarHBondContact O-CD1 3.41Å; D2362-I2365 HydrophobicContact CB-CB 4.41Å; D2362-I2365 HydrophobicContact CB-CD1 3.73Å; D2362-I2365 HydrophobicContact CB-CG1 3.87Å; D2362-I2365 WeakPolarHBondContact O-CB 3.28Å; D2362-I2365 PolarHBondContact O-N 3.02Å; D2362-I2365 VanDerWaalsContact O-N 3.12Å; I2365-V2367 HydrophobicContact CG2-CG2 3.97Å; I2365-A2410 HydrophobicContact CG2-CB 4.38Å; I2365-T2411 CarbonylContact C-O 3.55Å; I2365-T2411 VanDerWaalsContact CA-O 3.27Å; I2365-T2411 WeakPolarHBondContact CA-O 3.38Å | ||
| 2366 | Q | 86 | Confident | 84.5 | Confident | 126 Ų | 126 | 62.4 Ų | 62.4 | 59% | 0.589 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 132.2 | 169.5 | -63.9 | -175.3 | -12 | 0 | 0 | 109 | S2364 A2410 T2411 | S2364-Q2366 PolarHBondContact O-N 2.9Å; Q2366-A2410 CarbonylContact O-C 3.55Å; Q2366-A2410 WeakPolarHBondContact O-CA 3.41Å; Q2366-T2411 PolarHBondContact N-O 2.87Å; Q2366-T2411 PolarHBondContact O-N 3.32Å |
| 2367 | V | 89.6 | Confident | 83.5 | Confident | 33.8 Ų | 33.8 | 63.7 Ų | 63.7 | 21% | 0.205 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124.9 | -178.7 | -178.6 | 0 | 0 | 0 | 0 | 110 | L2357 I2365 H2386 V2391 K2409 A2410 | L2357-V2367 HydrophobicContact CD2-CG2 4.09Å; I2365-V2367 HydrophobicContact CG2-CG2 3.97Å; V2367-H2386 HydrophobicContact CB-CB 4.44Å; V2367-H2386 HydrophobicContact CG2-CB 4.38Å; V2367-V2391 HydrophobicContact CG1-CB 4.4Å; V2367-V2391 HydrophobicContact CG1-CG1 3.53Å; V2367-V2391 VanDerWaalsContact CG1-CG1 3.44Å; V2367-V2391 HydrophobicContact CG1-CG2 3.97Å; V2367-V2391 HydrophobicContact CG2-CG2 4.08Å; V2367-K2409 CarbonylContact C-O 3.52Å; V2367-K2409 VanDerWaalsContact CA-O 3.3Å; V2367-K2409 WeakPolarHBondContact CA-O 3.26Å; V2367-A2410 HydrophobicContact CG2-CB 4.33Å |
| 2368 | E | 89 | Confident | 82.5 | Confident | 86.6 Ų | 86.6 | 69.8 Ų | 69.8 | 41% | 0.405 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 140.7 | 178.8 | -63.3 | -179.3 | 136.7 | 0 | 0 | 109.8 | F2370 C2408 K2409 | E2368-F2370 HydrophobicContact CB-CD2 4.37Å; E2368-F2370 HydrophobicContact CB-CE2 3.61Å; E2368-F2370 HydrophobicContact CB-CZ 4.08Å; E2368-F2370 HydrophobicContact CG-CE2 4.5Å; E2368-F2370 WeakPolarHBondContact OE2-CZ 3.45Å; E2368-C2408 WeakPolarHBondContact O-CA 3.42Å; E2368-K2409 HydrophobicContact CB-CB 4.46Å; E2368-K2409 PolarHBondContact N-O 3.17Å; E2368-K2409 PolarHBondContact O-N 3.2Å; E2368-K2409 IonicContact OE2-NZ 3.19Å; E2368-K2409 PolarHBondContact OE2-NZ 3.42Å |
| 2369 | W | 89.9 | Confident | 81.9 | Confident | 13.6 Ų | 13.6 | 68.2 Ų | 68.2 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 134.1 | 173.1 | -77.1 | 86.4 | 0 | 0 | 0 | 110.6 | F2353 F2355 P2375 I2376 T2384 V2391 L2393 V2407 C2408 | F2353-W2369 HydrophobicContact CB-CH2 4.17Å; F2353-W2369 HydrophobicContact CB-CZ3 4.46Å; F2355-W2369 AromaticContact CD2-CH2 3.67Å; F2355-W2369 HydrophobicContact CD2-CH2 3.67Å; F2355-W2369 AromaticContact CD2-CZ2 3.94Å; F2355-W2369 HydrophobicContact CD2-CZ2 3.98Å; F2355-W2369 HydrophobicContact CD2-CZ3 4.46Å; F2355-W2369 AromaticContact CE2-CH2 3.34Å; F2355-W2369 HydrophobicContact CE2-CH2 3.34Å; F2355-W2369 VanDerWaalsContact CE2-CH2 3.41Å; F2355-W2369 AromaticContact CE2-CZ2 3.96Å; F2355-W2369 HydrophobicContact CE2-CZ2 4.08Å; F2355-W2369 AromaticContact CE2-CZ3 3.81Å; F2355-W2369 HydrophobicContact CE2-CZ3 3.81Å; F2355-W2369 HydrophobicContact CZ-CH2 4.46Å; W2369-P2375 CarbonylContact O-C 3.53Å; W2369-P2375 WeakPolarHBondContact O-CA 3.35Å; W2369-I2376 HydrophobicContact CB-CB 4.17Å; W2369-I2376 HydrophobicContact CB-CD1 3.98Å; W2369-I2376 HydrophobicContact CB-CG1 4.2Å; W2369-I2376 PolarHBondContact O-N 3.15Å; W2369-I2376 VanDerWaalsContact O-N 3.13Å; W2369-T2384 HydrophobicContact CB-CG2 4.25Å; W2369-T2384 VanDerWaalsContact CD1-CG2 3.42Å; W2369-T2384 HydrophobicContact CD2-CG2 4.39Å; W2369-T2384 HydrophobicContact CG-CG2 3.94Å; W2369-V2391 HydrophobicContact CZ2-CG1 3.77Å; W2369-V2391 VanDerWaalsContact NE1-CG1 3.32Å; W2369-L2393 HydrophobicContact CD2-CB 4.04Å; W2369-L2393 HydrophobicContact CD2-CD2 4.3Å; W2369-L2393 HydrophobicContact CE3-CB 3.98Å; W2369-L2393 HydrophobicContact CE3-CD2 3.68Å; W2369-L2393 HydrophobicContact CE3-CG 4.38Å; W2369-L2393 HydrophobicContact CH2-CB 3.36Å; W2369-L2393 VanDerWaalsContact CH2-CB 3.42Å; W2369-L2393 HydrophobicContact CH2-CD2 4.26Å; W2369-L2393 HydrophobicContact CH2-CG 4.45Å; W2369-L2393 HydrophobicContact CZ2-CB 3.5Å; W2369-L2393 VanDerWaalsContact CZ2-CB 3.47Å; W2369-L2393 HydrophobicContact CZ3-CB 3.65Å; W2369-L2393 HydrophobicContact CZ3-CD2 3.65Å; W2369-L2393 HydrophobicContact CZ3-CG 4.3Å; W2369-V2407 CarbonylContact C-O 3.53Å; W2369-V2407 WeakPolarHBondContact CA-O 3.38Å; W2369-C2408 HydrophobicContact CD2-CB 4.09Å; W2369-C2408 HydrophobicContact CE3-CB 4.04Å; W2369-C2408 HydrophobicContact CH2-CB 4.1Å; W2369-C2408 HydrophobicContact CZ2-CB 4.07Å; W2369-C2408 HydrophobicContact CZ3-CB 4.05Å |
| 2370 | F | 89.4 | Confident | 81 | Confident | 44.8 Ų | 44.8 | 72.8 Ų | 72.8 | 20% | 0.196 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 145.4 | 175.6 | -60 | -95.5 | 0 | 0 | 0 | 109.7 | E2368 H2374 P2375 Y2406 V2407 K2409 | E2368-F2370 HydrophobicContact CB-CD2 4.37Å; E2368-F2370 HydrophobicContact CB-CE2 3.61Å; E2368-F2370 HydrophobicContact CB-CZ 4.08Å; E2368-F2370 HydrophobicContact CG-CE2 4.5Å; E2368-F2370 WeakPolarHBondContact OE2-CZ 3.45Å; F2370-H2374 CarbonylContact C-O 3.53Å; F2370-H2374 VanDerWaalsContact CA-O 3.25Å; F2370-H2374 WeakPolarHBondContact CA-O 3.28Å; F2370-P2375 HydrophobicContact CD1-CB 4.28Å; F2370-P2375 HydrophobicContact CE1-CB 4.2Å; F2370-Y2406 CarbonylContact O-C 3.53Å; F2370-Y2406 VanDerWaalsContact O-CA 3.27Å; F2370-Y2406 WeakPolarHBondContact O-CA 3.38Å; F2370-V2407 HydrophobicContact CB-CB 4.3Å; F2370-V2407 PolarHBondContact N-O 2.9Å; F2370-V2407 PolarHBondContact O-N 2.96Å; F2370-K2409 HydrophobicContact CD2-CB 4.27Å; F2370-K2409 HydrophobicContact CE2-CB 3.87Å; F2370-K2409 HydrophobicContact CE2-CD 3.97Å; F2370-K2409 HydrophobicContact CE2-CG 4.44Å; F2370-K2409 HydrophobicContact CZ-CD 4.37Å |
| 2371 | R | 87.3 | Confident | 81.1 | Confident | 59.4 Ų | 59.4 | 69.2 Ų | 69.2 | 22% | 0.224 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 119.3 | 170.9 | 179.2 | -170.3 | 159.1 | -172.4 | -16.1 | 108.3 | G2373 H2374 I2376 H2401 D2402 A2403 T2405 Y2406 | R2371-G2373 PolarHBondContact O-N 2.86Å; R2371-G2373 VanDerWaalsContact O-N 3.09Å; R2371-H2374 PolarHBondContact N-O 2.97Å; R2371-H2374 WeakPolarHBondContact O-CB 3.37Å; R2371-H2374 PolarHBondContact O-N 3.24Å; R2371-I2376 HydrophobicContact CB-CD1 3.8Å; R2371-I2376 HydrophobicContact CB-CG1 3.77Å; R2371-H2401 VanDerWaalsContact CZ-O 3.25Å; R2371-H2401 PolarHBondContact NH1-O 2.84Å; R2371-H2401 PolarHBondContact NH2-O 2.91Å; R2371-D2402 IonicContact NH1-OD1 3.41Å; R2371-D2402 PolarHBondContact NH1-OD1 3.11Å; R2371-A2403 PolarHBondContact NH2-O 3.13Å; R2371-T2405 CarbonylContact C-O 3.3Å; R2371-T2405 WeakPolarHBondContact CA-O 3.44Å; R2371-Y2406 HydrophobicContact CB-CD1 4.09Å; R2371-Y2406 HydrophobicContact CB-CE1 3.94Å; R2371-Y2406 WeakPolarHBondContact CD-OH 3.36Å; R2371-Y2406 HydrophobicContact CG-CD1 4.3Å; R2371-Y2406 HydrophobicContact CG-CE1 3.88Å; R2371-Y2406 HydrophobicContact CG-CE2 4.28Å; R2371-Y2406 PolarHBondContact NE-OH 2.84Å |
| 2372 | D | 83.1 | Confident | 81.4 | Confident | 80.8 Ų | 80.8 | 66.4 Ų | 66.4 | 43% | 0.432 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48 | 40.7 | -177.9 | -54.1 | -51.2 | 0 | 0 | 0 | 112 | H2374 G2404 T2405 | D2372-H2374 PolarHBondContact O-N 2.96Å; D2372-H2374 PolarHBondContact O-ND1 2.92Å; D2372-H2374 VanDerWaalsContact O-ND1 3.12Å; D2372-G2404 WeakPolarHBondContact OD1-CA 3.39Å; D2372-G2404 WeakPolarHBondContact OD2-CA 3.5Å; D2372-T2405 PolarHBondContact N-O 2.76Å; D2372-T2405 PolarHBondContact OD1-N 2.87Å |
| 2373 | G | 79.9 | Confident | 81.4 | Confident | 62 Ų | 62 | 70.5 Ų | 70.5 | 64% | 0.639 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | -4.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | R2371 | R2371-G2373 PolarHBondContact O-N 2.86Å; R2371-G2373 VanDerWaalsContact O-N 3.09Å |
| 2374 | H | 80.1 | Confident | 81.8 | Confident | 127.6 Ų | 127.6 | 67.2 Ų | 67.2 | 59% | 0.591 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 136 | -177.6 | -62.6 | 77.3 | 0 | 0 | 0 | 111.8 | F2370 R2371 D2372 | F2370-H2374 CarbonylContact C-O 3.53Å; F2370-H2374 VanDerWaalsContact CA-O 3.25Å; F2370-H2374 WeakPolarHBondContact CA-O 3.28Å; R2371-H2374 PolarHBondContact N-O 2.97Å; R2371-H2374 WeakPolarHBondContact O-CB 3.37Å; R2371-H2374 PolarHBondContact O-N 3.24Å; D2372-H2374 PolarHBondContact O-N 2.96Å; D2372-H2374 PolarHBondContact O-ND1 2.92Å; D2372-H2374 VanDerWaalsContact O-ND1 3.12Å |
| 2375 | P | 84.3 | Confident | 81.9 | Confident | 93.8 Ų | 93.8 | 70.9 Ų | 70.9 | 61% | 0.609 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 138.3 | 179.6 | 26.6 | -33.5 | 0 | 0 | 0 | 111.6 | W2369 F2370 | W2369-P2375 CarbonylContact O-C 3.53Å; W2369-P2375 WeakPolarHBondContact O-CA 3.35Å; F2370-P2375 HydrophobicContact CD1-CB 4.28Å; F2370-P2375 HydrophobicContact CE1-CB 4.2Å |
| 2376 | I | 83 | Confident | 81.5 | Confident | 31.6 Ų | 31.6 | 75 Ų | 75 | 16% | 0.162 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -91.7 | 126 | -179.8 | -51.5 | 175.1 | 0 | 0 | 0 | 109.3 | W2369 R2371 M2382 L2393 Y2406 | W2369-I2376 HydrophobicContact CB-CB 4.17Å; W2369-I2376 HydrophobicContact CB-CD1 3.98Å; W2369-I2376 HydrophobicContact CB-CG1 4.2Å; W2369-I2376 PolarHBondContact O-N 3.15Å; W2369-I2376 VanDerWaalsContact O-N 3.13Å; R2371-I2376 HydrophobicContact CB-CD1 3.8Å; R2371-I2376 HydrophobicContact CB-CG1 3.77Å; I2376-M2382 HydrophobicContact CD1-CE 4.27Å; I2376-M2382 HydrophobicContact CG2-CB 4.39Å; I2376-M2382 HydrophobicContact CG2-CE 4.15Å; I2376-M2382 HydrophobicContact CG2-SD 4.01Å; I2376-L2393 HydrophobicContact CD1-CD1 4.36Å; I2376-L2393 HydrophobicContact CD1-CD2 4.28Å; I2376-L2393 HydrophobicContact CG2-CD1 4.47Å; I2376-Y2406 HydrophobicContact CD1-CD1 3.46Å; I2376-Y2406 VanDerWaalsContact CD1-CD1 3.45Å; I2376-Y2406 HydrophobicContact CD1-CE1 3.57Å |
| 2377 | S | 67.8 | Low | 80.9 | Confident | 96.4 Ų | 96.4 | 73.4 Ų | 73.4 | 67% | 0.674 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -85.6 | 136.8 | 171.7 | 44.9 | 0 | 0 | 0 | 0 | 111.4 | S2379 | S2377-S2379 PolarHBondContact O-N 3Š|
| 2378 | H | 68 | Low | 80.3 | Confident | 137.6 Ų | 137.6 | 78.9 Ų | 78.9 | 64% | 0.637 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 130.8 | 173.5 | -128.8 | -81.2 | 0 | 0 | 0 | 110.7 | T2384 | H2378-T2384 PolarHBondContact CE1-O 3.43Å; H2378-T2384 PolarHBondContact CE1-OG1 3.1Å; H2378-T2384 PolarHBondContact ND1-OG1 3.36Å; H2378-T2384 PolarHBondContact NE2-OG1 3.28Å |
| 2379 | S | 71.6 | Confident | 79.9 | Confident | 51 Ų | 51 | 75.2 Ų | 75.2 | 36% | 0.357 | 41% | 0.409 | S | S | . | . | trans | -141.7 | 174.9 | 177.6 | 66.7 | 0 | 0 | 0 | 0 | 111.2 | S2377 R2381 M2382 | S2377-S2379 PolarHBondContact O-N 3Å; S2379-R2381 PolarHBondContact O-N 3.13Å; S2379-R2381 VanDerWaalsContact O-N 3.15Å; S2379-R2381 PolarHBondContact OG-N 2.95Å; S2379-M2382 PolarHBondContact N-O 2.89Å; S2379-M2382 CarbonylContact O-C 3.54Å; S2379-M2382 PolarHBondContact O-N 3.49Å; S2379-M2382 VanDerWaalsContact O-O 3.09Å; S2379-M2382 PolarHBondContact OG-N 3.16Å; S2379-M2382 VanDerWaalsContact OG-N 3.17Å; S2379-M2382 PolarHBondContact OG-O 2.94Å | ||
| 2380 | S | 65.4 | Low | 79.7 | Confident | 114 Ų | 114 | 77.8 Ų | 77.8 | 80% | 0.797 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -61 | -27.5 | 173.4 | 52.7 | 0 | 0 | 0 | 0 | 113 | K2383 | S2380-K2383 WeakPolarHBondContact O-CE 3.41Š|
| 2381 | R | 83.1 | Confident | 79.7 | Confident | 46.8 Ų | 46.8 | 75.7 Ų | 75.7 | 18% | 0.177 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -94.5 | -37.3 | -177.2 | -162.9 | 173.8 | 68.7 | 70.3 | -8.1 | 113.4 | S2379 I2395 A2396 P2397 E2399 H2401 D2402 | S2379-R2381 PolarHBondContact O-N 3.13Å; S2379-R2381 VanDerWaalsContact O-N 3.15Å; S2379-R2381 PolarHBondContact OG-N 2.95Å; R2381-I2395 VanDerWaalsContact NH1-CG2 3.34Å; R2381-I2395 CarbonylContact O-C 3.57Å; R2381-I2395 WeakPolarHBondContact O-CA 3.41Å; R2381-A2396 VanDerWaalsContact CG-O 3.3Å; R2381-A2396 WeakPolarHBondContact CG-O 3.34Å; R2381-A2396 PolarHBondContact O-N 3.06Å; R2381-P2397 VanDerWaalsContact CD-O 3.29Å; R2381-P2397 WeakPolarHBondContact CD-O 3.35Å; R2381-P2397 HydrophobicContact CG-CG 4.49Å; R2381-P2397 VanDerWaalsContact CG-O 3.24Å; R2381-P2397 WeakPolarHBondContact CG-O 3.42Å; R2381-P2397 PolarHBondContact NH1-O 2.91Å; R2381-P2397 VanDerWaalsContact NH1-O 3.16Å; R2381-E2399 IonicContact CZ-OE2 3.51Å; R2381-E2399 VanDerWaalsContact CZ-OE2 3.25Å; R2381-E2399 IonicContact NE-OE1 3.59Å; R2381-E2399 IonicContact NE-OE2 2.92Å; R2381-E2399 PolarHBondContact NE-OE2 3.27Å; R2381-E2399 IonicContact NH1-OE2 3.37Å; R2381-E2399 IonicContact NH2-OE2 3.22Å; R2381-E2399 PolarHBondContact NH2-OE2 2.91Å; R2381-E2399 VanDerWaalsContact NH2-OE2 3.15Å; R2381-H2401 PolarHBondContact NH2-NE2 2.8Å; R2381-D2402 IonicContact CZ-OD1 3.52Å; R2381-D2402 IonicContact CZ-OD2 3.16Å; R2381-D2402 VanDerWaalsContact CZ-OD2 3.28Å; R2381-D2402 VanDerWaalsContact NH1-CG 3.28Å; R2381-D2402 IonicContact NH1-OD1 3.42Å; R2381-D2402 PolarHBondContact NH1-OD1 2.83Å; R2381-D2402 IonicContact NH1-OD2 3.25Å; R2381-D2402 PolarHBondContact NH1-OD2 2.95Å; R2381-D2402 IonicContact NH2-OD1 3.22Å; R2381-D2402 PolarHBondContact NH2-OD1 2.97Å; R2381-D2402 IonicContact NH2-OD2 3.19Å; R2381-D2402 PolarHBondContact NH2-OD2 2.9Å |
| 2382 | M | 83.6 | Confident | 79.8 | Confident | 18.6 Ų | 18.6 | 73.9 Ų | 73.9 | 9% | 0.092 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 107.6 | 178.7 | -63.5 | -177.5 | 125.3 | 0 | 0 | 110 | I2376 S2379 E2394 I2395 D2402 Y2406 | I2376-M2382 HydrophobicContact CD1-CE 4.27Å; I2376-M2382 HydrophobicContact CG2-CB 4.39Å; I2376-M2382 HydrophobicContact CG2-CE 4.15Å; I2376-M2382 HydrophobicContact CG2-SD 4.01Å; S2379-M2382 PolarHBondContact N-O 2.89Å; S2379-M2382 CarbonylContact O-C 3.54Å; S2379-M2382 PolarHBondContact O-N 3.49Å; S2379-M2382 VanDerWaalsContact O-O 3.09Å; S2379-M2382 PolarHBondContact OG-N 3.16Å; S2379-M2382 VanDerWaalsContact OG-N 3.17Å; S2379-M2382 PolarHBondContact OG-O 2.94Å; M2382-E2394 CarbonylContact C-O 3.53Å; M2382-E2394 VanDerWaalsContact CA-O 3.31Å; M2382-E2394 WeakPolarHBondContact CA-O 3.43Å; M2382-I2395 HydrophobicContact CE-CD1 3.9Å; M2382-I2395 HydrophobicContact CE-CG1 4.05Å; M2382-I2395 HydrophobicContact CE-CG2 4.23Å; M2382-I2395 HydrophobicContact CG-CG1 4.23Å; M2382-I2395 HydrophobicContact CG-CG2 4.2Å; M2382-D2402 HydrophobicContact CE-CB 4.45Å; M2382-D2402 VanDerWaalsContact CE-OD1 3.27Å; M2382-D2402 WeakPolarHBondContact CE-OD1 3.3Å; M2382-Y2406 HydrophobicContact CE-CE1 3.77Å; M2382-Y2406 WeakPolarHBondContact CE-OH 3.37Å |
| 2383 | K | 82.3 | Confident | 80.2 | Confident | 96.6 Ų | 96.6 | 70 Ų | 70 | 42% | 0.42 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.9 | -177.2 | -59.9 | 174 | -169.3 | 161.2 | 0 | 110.1 | S2380 L2393 E2394 | S2380-K2383 WeakPolarHBondContact O-CE 3.41Å; K2383-L2393 WeakPolarHBondContact O-CA 3.29Å; K2383-E2394 HydrophobicContact CB-CB 4.43Å; K2383-E2394 WeakPolarHBondContact CE-OE1 3.3Å; K2383-E2394 PolarHBondContact N-O 3.01Å; K2383-E2394 IonicContact NZ-OE1 2.8Å; K2383-E2394 PolarHBondContact NZ-OE1 2.85Å; K2383-E2394 PolarHBondContact O-N 3.07Å |
| 2384 | T | 86.3 | Confident | 80.6 | Confident | 40 Ų | 40 | 69.9 Ų | 69.9 | 25% | 0.245 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 133.9 | 172.3 | 53.2 | 0 | 0 | 0 | 0 | 109.7 | W2369 H2378 V2392 L2393 | W2369-T2384 HydrophobicContact CB-CG2 4.25Å; W2369-T2384 VanDerWaalsContact CD1-CG2 3.42Å; W2369-T2384 HydrophobicContact CD2-CG2 4.39Å; W2369-T2384 HydrophobicContact CG-CG2 3.94Å; H2378-T2384 PolarHBondContact CE1-O 3.43Å; H2378-T2384 PolarHBondContact CE1-OG1 3.1Å; H2378-T2384 PolarHBondContact ND1-OG1 3.36Å; H2378-T2384 PolarHBondContact NE2-OG1 3.28Å; T2384-V2392 CarbonylContact C-O 3.53Å; T2384-V2392 VanDerWaalsContact CA-O 3.29Å; T2384-V2392 WeakPolarHBondContact CA-O 3.34Å; T2384-L2393 HydrophobicContact CG2-CD1 3.72Å |
| 2385 | L | 83.1 | Confident | 81.1 | Confident | 103.2 Ų | 103.2 | 63.8 Ų | 63.8 | 54% | 0.54 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 137.8 | 178.6 | -97.8 | 155 | 0 | 0 | 0 | 108.9 | D2387 V2391 V2392 | L2385-D2387 HydrophobicContact CD2-CB 3.93Å; L2385-V2391 CarbonylContact O-C 3.53Å; L2385-V2391 VanDerWaalsContact O-CA 3.3Å; L2385-V2391 WeakPolarHBondContact O-CA 3.19Å; L2385-V2392 HydrophobicContact CB-CB 4.22Å; L2385-V2392 PolarHBondContact N-O 2.86Å; L2385-V2392 PolarHBondContact O-N 3.1Å |
| 2386 | H | 79.4 | Confident | 81.1 | Confident | 111 Ų | 111 | 60.8 Ų | 60.8 | 51% | 0.514 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 104.4 | 172.5 | 100.7 | -91.4 | 0 | 0 | 0 | 108.2 | L2357 V2367 F2390 V2391 | L2357-H2386 VanDerWaalsContact CD2-NE2 3.25Å; L2357-H2386 WeakPolarHBondContact CD2-NE2 3.35Å; V2367-H2386 HydrophobicContact CB-CB 4.44Å; V2367-H2386 HydrophobicContact CG2-CB 4.38Å; H2386-F2390 CarbonylContact C-O 3.56Å; H2386-F2390 VanDerWaalsContact CA-O 3.29Å; H2386-F2390 WeakPolarHBondContact CA-O 3.43Å; H2386-V2391 HydrophobicContact CB-CG1 4.48Å; H2386-V2391 HydrophobicContact CB-CG2 4.26Å |
| 2387 | D | 73.8 | Confident | 81 | Confident | 91.4 Ų | 91.4 | 62.3 Ų | 62.3 | 49% | 0.489 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 151 | -178.7 | -157.3 | -2 | 0 | 0 | 0 | 110.7 | L2385 G2389 F2390 | L2385-D2387 HydrophobicContact CD2-CB 3.93Å; D2387-G2389 PolarHBondContact O-N 2.98Å; D2387-G2389 VanDerWaalsContact O-N 3.1Å; D2387-F2390 PolarHBondContact N-O 2.98Å; D2387-F2390 VanDerWaalsContact N-O 3.14Å; D2387-F2390 PolarHBondContact O-N 3.01Å |
| 2388 | F | 75.6 | Confident | 81.7 | Confident | 150 Ų | 150 | 57.7 Ų | 57.7 | 66% | 0.658 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 30.5 | 177.7 | -57.7 | -71.6 | 0 | 0 | 0 | 116.5 | F2360 F2390 K2890 | F2360-F2388 VanDerWaalsContact CD2-C 3.45Å; F2388-F2390 VanDerWaalsContact C-N 3.3Å; F2388-F2390 WeakPolarHBondContact O-CD2 3.24Å; F2388-K2890 HydrophobicContact CE1-CD 3.46Å; F2388-K2890 VanDerWaalsContact CE1-CD 3.46Å; F2388-K2890 HydrophobicContact CE1-CG 3.57Å; F2388-K2890 HydrophobicContact CE2-CD 4.15Å; F2388-K2890 VanDerWaalsContact CE2-NZ 3.32Å; F2388-K2890 HydrophobicContact CZ-CB 4.09Å; F2388-K2890 HydrophobicContact CZ-CD 3.14Å; F2388-K2890 HydrophobicContact CZ-CG 3.51Å |
| 2389 | G | 80.1 | Confident | 82.5 | Confident | 8.6 Ų | 8.6 | 53.9 Ų | 53.9 | 9% | 0.089 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 18.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K2356 L2357 F2360 D2387 | K2356-G2389 CarbonylContact C-O 3.53Å; K2356-G2389 VanDerWaalsContact CA-O 3.28Å; K2356-G2389 WeakPolarHBondContact CA-O 3.32Å; L2357-G2389 PolarHBondContact N-O 3.14Å; L2357-G2389 WeakPolarHBondContact O-CA 3.09Å; F2360-G2389 VanDerWaalsContact CB-CA 3.46Å; F2360-G2389 VanDerWaalsContact CD2-N 3.3Å; D2387-G2389 PolarHBondContact O-N 2.98Å; D2387-G2389 VanDerWaalsContact O-N 3.1Å |
| 2390 | F | 86.3 | Confident | 82.9 | Confident | 69.6 Ų | 69.6 | 53.7 Ų | 53.7 | 31% | 0.305 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 140.9 | 169.9 | -64.7 | -86.4 | 0 | 0 | 0 | 111 | T2338 E2354 F2355 K2356 H2386 D2387 F2388 V2392 | T2338-F2390 HydrophobicContact CG2-CE1 4.31Å; E2354-F2390 HydrophobicContact CG-CB 4.47Å; E2354-F2390 HydrophobicContact CG-CD1 4.11Å; E2354-F2390 HydrophobicContact CG-CG 4.48Å; E2354-F2390 VanDerWaalsContact OE1-CD1 3.26Å; E2354-F2390 WeakPolarHBondContact OE1-CD1 3.3Å; E2354-F2390 WeakPolarHBondContact OE1-CE1 3.24Å; F2355-F2390 CarbonylContact O-C 3.47Å; F2355-F2390 VanDerWaalsContact O-CA 3.26Å; F2355-F2390 WeakPolarHBondContact O-CA 3.26Å; K2356-F2390 HydrophobicContact CB-CD1 4.34Å; K2356-F2390 HydrophobicContact CB-CE1 4.12Å; K2356-F2390 HydrophobicContact CG-CE1 4.15Å; K2356-F2390 HydrophobicContact CG-CZ 4.49Å; H2386-F2390 CarbonylContact C-O 3.56Å; H2386-F2390 VanDerWaalsContact CA-O 3.29Å; H2386-F2390 WeakPolarHBondContact CA-O 3.43Å; D2387-F2390 PolarHBondContact N-O 2.98Å; D2387-F2390 VanDerWaalsContact N-O 3.14Å; D2387-F2390 PolarHBondContact O-N 3.01Å; F2388-F2390 VanDerWaalsContact C-N 3.3Å; F2388-F2390 WeakPolarHBondContact O-CD2 3.24Å; F2390-V2392 HydrophobicContact CB-CG2 4.46Å |
| 2391 | V | 88.9 | Confident | 83.8 | Confident | 0.6 Ų | 0.6 | 53.2 Ų | 53.2 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.4 | 171.2 | -174.1 | 0 | 0 | 0 | 0 | 108.4 | L2335 E2354 F2355 L2357 V2367 W2369 L2385 H2386 | L2335-V2391 HydrophobicContact CD2-CG2 4.35Å; E2354-V2391 CarbonylContact C-O 3.47Å; E2354-V2391 WeakPolarHBondContact CA-O 3.42Å; F2355-V2391 HydrophobicContact CB-CB 4.42Å; F2355-V2391 PolarHBondContact N-O 3.04Å; F2355-V2391 PolarHBondContact O-N 3.03Å; L2357-V2391 HydrophobicContact CB-CG2 4.2Å; L2357-V2391 HydrophobicContact CD2-CG2 4.16Å; V2367-V2391 HydrophobicContact CG1-CB 4.4Å; V2367-V2391 HydrophobicContact CG1-CG1 3.53Å; V2367-V2391 VanDerWaalsContact CG1-CG1 3.44Å; V2367-V2391 HydrophobicContact CG1-CG2 3.97Å; V2367-V2391 HydrophobicContact CG2-CG2 4.08Å; W2369-V2391 HydrophobicContact CZ2-CG1 3.77Å; W2369-V2391 VanDerWaalsContact NE1-CG1 3.32Å; L2385-V2391 CarbonylContact O-C 3.53Å; L2385-V2391 VanDerWaalsContact O-CA 3.3Å; L2385-V2391 WeakPolarHBondContact O-CA 3.19Å; H2386-V2391 HydrophobicContact CB-CG1 4.48Å; H2386-V2391 HydrophobicContact CB-CG2 4.26Å |
| 2392 | V | 90.4 | Very high | 84 | Confident | 20.6 Ų | 20.6 | 51 Ų | 51 | 13% | 0.125 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 140.2 | -175.3 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | H2352 F2353 E2354 T2384 L2385 F2390 | H2352-V2392 VanDerWaalsContact CE1-CG1 3.41Å; H2352-V2392 WeakPolarHBondContact CE1-CG1 3.29Å; F2353-V2392 CarbonylContact O-C 3.52Å; F2353-V2392 VanDerWaalsContact O-CA 3.28Å; F2353-V2392 WeakPolarHBondContact O-CA 3.29Å; E2354-V2392 HydrophobicContact CB-CG2 4.39Å; E2354-V2392 HydrophobicContact CG-CG2 4.05Å; T2384-V2392 CarbonylContact C-O 3.53Å; T2384-V2392 VanDerWaalsContact CA-O 3.29Å; T2384-V2392 WeakPolarHBondContact CA-O 3.34Å; L2385-V2392 HydrophobicContact CB-CB 4.22Å; L2385-V2392 PolarHBondContact N-O 2.86Å; L2385-V2392 PolarHBondContact O-N 3.1Å; F2390-V2392 HydrophobicContact CB-CG2 4.46Å |
| 2393 | L | 90.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 121.8 | 163.1 | 173.5 | 67.8 | 0 | 0 | 0 | 109.5 | H2352 F2353 W2369 I2376 K2383 T2384 I2395 Y2406 | H2352-L2393 WeakPolarHBondContact CA-O 3.39Å; F2353-L2393 HydrophobicContact CB-CB 4.48Å; F2353-L2393 HydrophobicContact CD2-CD2 4.37Å; F2353-L2393 PolarHBondContact N-O 3.11Å; F2353-L2393 PolarHBondContact O-N 3.08Å; W2369-L2393 HydrophobicContact CD2-CB 4.04Å; W2369-L2393 HydrophobicContact CD2-CD2 4.3Å; W2369-L2393 HydrophobicContact CE3-CB 3.98Å; W2369-L2393 HydrophobicContact CE3-CD2 3.68Å; W2369-L2393 HydrophobicContact CE3-CG 4.38Å; W2369-L2393 HydrophobicContact CH2-CB 3.36Å; W2369-L2393 VanDerWaalsContact CH2-CB 3.42Å; W2369-L2393 HydrophobicContact CH2-CD2 4.26Å; W2369-L2393 HydrophobicContact CH2-CG 4.45Å; W2369-L2393 HydrophobicContact CZ2-CB 3.5Å; W2369-L2393 VanDerWaalsContact CZ2-CB 3.47Å; W2369-L2393 HydrophobicContact CZ3-CB 3.65Å; W2369-L2393 HydrophobicContact CZ3-CD2 3.65Å; W2369-L2393 HydrophobicContact CZ3-CG 4.3Å; I2376-L2393 HydrophobicContact CD1-CD1 4.36Å; I2376-L2393 HydrophobicContact CD1-CD2 4.28Å; I2376-L2393 HydrophobicContact CG2-CD1 4.47Å; K2383-L2393 WeakPolarHBondContact O-CA 3.29Å; T2384-L2393 HydrophobicContact CG2-CD1 3.72Å; L2393-I2395 HydrophobicContact CD1-CG1 4.29Å; L2393-I2395 HydrophobicContact CD2-CD1 4.39Å; L2393-I2395 HydrophobicContact CD2-CG1 4.47Å; L2393-I2395 HydrophobicContact CG-CD1 4.42Å; L2393-I2395 HydrophobicContact CG-CG1 4.37Å; L2393-Y2406 HydrophobicContact CD2-CD1 3.24Å; L2393-Y2406 HydrophobicContact CD2-CE1 3.71Å; L2393-Y2406 HydrophobicContact CD2-CG 3.95Å |
| 2394 | E | 89.7 | Confident | 84.5 | Confident | 59.2 Ų | 59.2 | 48 Ų | 48 | 28% | 0.277 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 130.8 | 175.8 | -173.5 | -176 | 111.2 | 0 | 0 | 110.5 | V2350 A2351 H2352 M2382 K2383 A2396 | V2350-E2394 HydrophobicContact CG1-CG 3.84Å; A2351-E2394 CarbonylContact O-C 3.51Å; A2351-E2394 WeakPolarHBondContact O-CA 3.24Å; H2352-E2394 IonicContact ND1-OE2 3.77Å; M2382-E2394 CarbonylContact C-O 3.53Å; M2382-E2394 VanDerWaalsContact CA-O 3.31Å; M2382-E2394 WeakPolarHBondContact CA-O 3.43Å; K2383-E2394 HydrophobicContact CB-CB 4.43Å; K2383-E2394 WeakPolarHBondContact CE-OE1 3.3Å; K2383-E2394 PolarHBondContact N-O 3.01Å; K2383-E2394 IonicContact NZ-OE1 2.8Å; K2383-E2394 PolarHBondContact NZ-OE1 2.85Å; K2383-E2394 PolarHBondContact O-N 3.07Å; E2394-A2396 HydrophobicContact CG-CB 4.28Å |
| 2395 | I | 89.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 110 | 177.4 | -51.7 | 172.3 | 0 | 0 | 0 | 108.5 | V2350 A2351 R2381 M2382 L2393 A2398 Y2406 L2423 | V2350-I2395 CarbonylContact C-O 3.54Å; V2350-I2395 VanDerWaalsContact CA-O 3.31Å; V2350-I2395 WeakPolarHBondContact CA-O 3.3Å; A2351-I2395 HydrophobicContact CB-CB 4.06Å; A2351-I2395 HydrophobicContact CB-CD1 4.37Å; A2351-I2395 HydrophobicContact CB-CG1 4.43Å; A2351-I2395 PolarHBondContact N-O 3.06Å; A2351-I2395 PolarHBondContact O-N 3.1Å; R2381-I2395 VanDerWaalsContact NH1-CG2 3.34Å; R2381-I2395 CarbonylContact O-C 3.57Å; R2381-I2395 WeakPolarHBondContact O-CA 3.41Å; M2382-I2395 HydrophobicContact CE-CD1 3.9Å; M2382-I2395 HydrophobicContact CE-CG1 4.05Å; M2382-I2395 HydrophobicContact CE-CG2 4.23Å; M2382-I2395 HydrophobicContact CG-CG1 4.23Å; M2382-I2395 HydrophobicContact CG-CG2 4.2Å; L2393-I2395 HydrophobicContact CD1-CG1 4.29Å; L2393-I2395 HydrophobicContact CD2-CD1 4.39Å; L2393-I2395 HydrophobicContact CD2-CG1 4.47Å; L2393-I2395 HydrophobicContact CG-CD1 4.42Å; L2393-I2395 HydrophobicContact CG-CG1 4.37Å; I2395-A2398 HydrophobicContact CG2-CB 4.16Å; I2395-A2398 PolarHBondContact O-N 2.78Å; I2395-Y2406 HydrophobicContact CD1-CE1 3.89Å; I2395-Y2406 HydrophobicContact CD1-CE2 4.35Å; I2395-Y2406 VanDerWaalsContact CD1-OH 3.3Å; I2395-Y2406 WeakPolarHBondContact CD1-OH 3.37Å; I2395-L2423 HydrophobicContact CD1-CD2 3.79Å |
| 2396 | A | 84.3 | Confident | 85.2 | Confident | 29.8 Ų | 29.8 | 43.5 Ų | 43.5 | 25% | 0.246 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -142.8 | 107.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V2350 R2381 E2394 | V2350-A2396 HydrophobicContact CB-CB 4.44Å; V2350-A2396 HydrophobicContact CG1-CB 4.09Å; V2350-A2396 HydrophobicContact CG2-CB 3.8Å; R2381-A2396 VanDerWaalsContact CG-O 3.3Å; R2381-A2396 WeakPolarHBondContact CG-O 3.34Å; R2381-A2396 PolarHBondContact O-N 3.06Å; E2394-A2396 HydrophobicContact CG-CB 4.28Å |
| 2397 | P | 80.5 | Confident | 85.8 | Confident | 63.4 Ų | 63.4 | 39.9 Ų | 39.9 | 41% | 0.412 | 22% | 0.221 | S | C | . | . | S | Bend | cis | -77.6 | 154.7 | -6.3 | 30.8 | -34.5 | 0 | 0 | 0 | 113.4 | G2348 R2381 | G2348-P2397 WeakPolarHBondContact O-CB 3.4Å; R2381-P2397 VanDerWaalsContact CD-O 3.29Å; R2381-P2397 WeakPolarHBondContact CD-O 3.35Å; R2381-P2397 HydrophobicContact CG-CG 4.49Å; R2381-P2397 VanDerWaalsContact CG-O 3.24Å; R2381-P2397 WeakPolarHBondContact CG-O 3.42Å; R2381-P2397 PolarHBondContact NH1-O 2.91Å; R2381-P2397 VanDerWaalsContact NH1-O 3.16Å |
| 2398 | A | 83.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -85.5 | 130.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I2345 E2347 G2348 Q2349 A2351 I2395 V2425 | I2345-A2398 HydrophobicContact CD1-CB 3.44Å; I2345-A2398 VanDerWaalsContact CD1-CB 3.43Å; I2345-A2398 HydrophobicContact CG1-CB 4.44Å; E2347-A2398 WeakPolarHBondContact CA-O 3.37Å; G2348-A2398 PolarHBondContact N-O 3.07Å; Q2349-A2398 VanDerWaalsContact O-CB 3.23Å; Q2349-A2398 WeakPolarHBondContact O-CB 3.4Å; Q2349-A2398 PolarHBondContact O-N 2.92Å; A2351-A2398 HydrophobicContact CB-CB 4.44Å; I2395-A2398 HydrophobicContact CG2-CB 4.16Å; I2395-A2398 PolarHBondContact O-N 2.78Å; A2398-V2425 HydrophobicContact CB-CG2 4.34Å | ||
| 2399 | E | 83.5 | Confident | 87.4 | Confident | 56.8 Ų | 56.8 | 30.7 Ų | 30.7 | 27% | 0.265 | 18% | 0.176 | S | C | . | . | trans | -108.9 | 157.9 | -175.8 | -62 | 176.7 | 143.4 | 0 | 0 | 110.2 | R2381 H2401 D2402 V2425 | R2381-E2399 IonicContact CZ-OE2 3.51Å; R2381-E2399 VanDerWaalsContact CZ-OE2 3.25Å; R2381-E2399 IonicContact NE-OE1 3.59Å; R2381-E2399 IonicContact NE-OE2 2.92Å; R2381-E2399 PolarHBondContact NE-OE2 3.27Å; R2381-E2399 IonicContact NH1-OE2 3.37Å; R2381-E2399 IonicContact NH2-OE2 3.22Å; R2381-E2399 PolarHBondContact NH2-OE2 2.91Å; R2381-E2399 VanDerWaalsContact NH2-OE2 3.15Å; E2399-H2401 VanDerWaalsContact CB-CE1 3.44Å; E2399-H2401 WeakPolarHBondContact CB-CE1 3.38Å; E2399-H2401 WeakPolarHBondContact CB-ND1 3.3Å; E2399-H2401 WeakPolarHBondContact CB-NE2 3.19Å; E2399-H2401 VanDerWaalsContact CD-CE1 3.44Å; E2399-H2401 PolarHBondContact O-N 2.94Å; E2399-H2401 VanDerWaalsContact O-N 3.11Å; E2399-H2401 IonicContact OE2-CD2 3.4Å; E2399-H2401 PolarHBondContact OE2-CD2 3.08Å; E2399-H2401 IonicContact OE2-CE1 3.55Å; E2399-H2401 PolarHBondContact OE2-CE1 3.1Å; E2399-H2401 IonicContact OE2-ND1 2.72Å; E2399-H2401 IonicContact OE2-NE2 2.99Å; E2399-H2401 PolarHBondContact OE2-NE2 3.01Å; E2399-D2402 WeakPolarHBondContact CB-OD2 3.29Å; E2399-D2402 PolarHBondContact N-OD2 2.92Å; E2399-D2402 WeakPolarHBondContact O-CA 3.38Å; E2399-D2402 VanDerWaalsContact O-CB 3.26Å; E2399-D2402 WeakPolarHBondContact O-CB 3.34Å; E2399-D2402 PolarHBondContact O-N 3.1Å; E2399-V2425 WeakPolarHBondContact O-CG2 3.39Å | ||
| 2400 | P | 80.4 | Confident | 87.9 | Confident | 48 Ų | 48 | 30.2 Ų | 30.2 | 31% | 0.312 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -58.7 | -30.4 | -177 | -25.6 | 35.9 | 0 | 0 | 0 | 113.2 | E2347 D2402 A2403 | E2347-P2400 HydrophobicContact CB-CG 4.34Å; E2347-P2400 VanDerWaalsContact CD-CG 3.44Å; E2347-P2400 HydrophobicContact CG-CG 4.1Å; E2347-P2400 WeakPolarHBondContact OE1-CD 3.19Å; E2347-P2400 WeakPolarHBondContact OE2-CG 3.44Å; P2400-D2402 VanDerWaalsContact C-N 3.29Å; P2400-D2402 PolarHBondContact O-N 2.97Å; P2400-A2403 WeakPolarHBondContact O-CB 3.33Å; P2400-A2403 PolarHBondContact O-N 3.06Å |
| 2401 | H | 83.8 | Confident | 88.1 | Confident | 103.8 Ų | 103.8 | 28.8 Ų | 28.8 | 48% | 0.481 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -77 | -9.1 | 175.8 | 67.4 | -73 | 0 | 0 | 0 | 112.9 | R2371 R2381 E2399 A2403 | R2371-H2401 VanDerWaalsContact CZ-O 3.25Å; R2371-H2401 PolarHBondContact NH1-O 2.84Å; R2371-H2401 PolarHBondContact NH2-O 2.91Å; R2381-H2401 PolarHBondContact NH2-NE2 2.8Å; E2399-H2401 VanDerWaalsContact CB-CE1 3.44Å; E2399-H2401 WeakPolarHBondContact CB-CE1 3.38Å; E2399-H2401 WeakPolarHBondContact CB-ND1 3.3Å; E2399-H2401 WeakPolarHBondContact CB-NE2 3.19Å; E2399-H2401 VanDerWaalsContact CD-CE1 3.44Å; E2399-H2401 PolarHBondContact O-N 2.94Å; E2399-H2401 VanDerWaalsContact O-N 3.11Å; E2399-H2401 IonicContact OE2-CD2 3.4Å; E2399-H2401 PolarHBondContact OE2-CD2 3.08Å; E2399-H2401 IonicContact OE2-CE1 3.55Å; E2399-H2401 PolarHBondContact OE2-CE1 3.1Å; E2399-H2401 IonicContact OE2-ND1 2.72Å; E2399-H2401 IonicContact OE2-NE2 2.99Å; E2399-H2401 PolarHBondContact OE2-NE2 3.01Å; H2401-A2403 PolarHBondContact O-N 3.21Å |
| 2402 | D | 87.6 | Confident | 88 | Confident | 0.6 Ų | 0.6 | 29.5 Ų | 29.5 | 0% | 0.003 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -80.2 | -11 | 172.3 | -61.5 | -41.7 | 0 | 0 | 0 | 113.4 | R2371 R2381 M2382 E2399 P2400 G2404 Y2406 L2423 | R2371-D2402 IonicContact NH1-OD1 3.41Å; R2371-D2402 PolarHBondContact NH1-OD1 3.11Å; R2381-D2402 IonicContact CZ-OD1 3.52Å; R2381-D2402 IonicContact CZ-OD2 3.16Å; R2381-D2402 VanDerWaalsContact CZ-OD2 3.28Å; R2381-D2402 VanDerWaalsContact NH1-CG 3.28Å; R2381-D2402 IonicContact NH1-OD1 3.42Å; R2381-D2402 PolarHBondContact NH1-OD1 2.83Å; R2381-D2402 IonicContact NH1-OD2 3.25Å; R2381-D2402 PolarHBondContact NH1-OD2 2.95Å; R2381-D2402 IonicContact NH2-OD1 3.22Å; R2381-D2402 PolarHBondContact NH2-OD1 2.97Å; R2381-D2402 IonicContact NH2-OD2 3.19Å; R2381-D2402 PolarHBondContact NH2-OD2 2.9Å; M2382-D2402 HydrophobicContact CE-CB 4.45Å; M2382-D2402 VanDerWaalsContact CE-OD1 3.27Å; M2382-D2402 WeakPolarHBondContact CE-OD1 3.3Å; E2399-D2402 WeakPolarHBondContact CB-OD2 3.29Å; E2399-D2402 PolarHBondContact N-OD2 2.92Å; E2399-D2402 WeakPolarHBondContact O-CA 3.38Å; E2399-D2402 VanDerWaalsContact O-CB 3.26Å; E2399-D2402 WeakPolarHBondContact O-CB 3.34Å; E2399-D2402 PolarHBondContact O-N 3.1Å; P2400-D2402 VanDerWaalsContact C-N 3.29Å; P2400-D2402 PolarHBondContact O-N 2.97Å; D2402-G2404 PolarHBondContact O-N 2.93Å; D2402-Y2406 VanDerWaalsContact O-CE2 3.28Å; D2402-Y2406 WeakPolarHBondContact O-CE2 3.42Å; D2402-Y2406 PolarHBondContact O-OH 2.85Å; D2402-Y2406 VanDerWaalsContact O-OH 3.1Å; D2402-L2423 HydrophobicContact CB-CD2 4.23Å |
| 2403 | A | 87.4 | Confident | 87.6 | Confident | 37.8 Ų | 37.8 | 36.9 Ų | 36.9 | 31% | 0.312 | 20% | 0.204 | S | C | . | . | trans | -58 | 134.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | R2371 P2400 H2401 L2423 V2425 | R2371-A2403 PolarHBondContact NH2-O 3.13Å; P2400-A2403 WeakPolarHBondContact O-CB 3.33Å; P2400-A2403 PolarHBondContact O-N 3.06Å; H2401-A2403 PolarHBondContact O-N 3.21Å; A2403-L2423 CarbonylContact C-O 3.56Å; A2403-L2423 VanDerWaalsContact CA-O 3.26Å; A2403-L2423 WeakPolarHBondContact CA-O 3.28Å; A2403-V2425 HydrophobicContact CB-CB 4.34Å; A2403-V2425 HydrophobicContact CB-CG2 4.41Å | ||
| 2404 | G | 88.9 | Confident | 87.2 | Confident | 14.6 Ų | 14.6 | 39.3 Ų | 39.3 | 15% | 0.151 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.7 | 179.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D2372 D2402 Y2406 L2423 | D2372-G2404 WeakPolarHBondContact OD1-CA 3.39Å; D2372-G2404 WeakPolarHBondContact OD2-CA 3.5Å; D2402-G2404 PolarHBondContact O-N 2.93Å; G2404-Y2406 WeakPolarHBondContact O-CD2 3.41Å; G2404-L2423 PolarHBondContact N-O 3.08Å; G2404-L2423 VanDerWaalsContact N-O 3.1Å; G2404-L2423 PolarHBondContact O-N 2.89Å |
| 2405 | T | 91.2 | Very high | 87 | Confident | 47 Ų | 47 | 37.8 Ų | 37.8 | 29% | 0.288 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 121.6 | 177.7 | -55.9 | 0 | 0 | 0 | 0 | 109.4 | R2371 D2372 V2407 E2420 V2421 | R2371-T2405 CarbonylContact C-O 3.3Å; R2371-T2405 WeakPolarHBondContact CA-O 3.44Å; D2372-T2405 PolarHBondContact N-O 2.76Å; D2372-T2405 PolarHBondContact OD1-N 2.87Å; T2405-V2407 HydrophobicContact CG2-CG2 4.35Å; T2405-E2420 HydrophobicContact CG2-CB 4.41Å; T2405-E2420 VanDerWaalsContact CG2-CD 3.45Å; T2405-E2420 HydrophobicContact CG2-CG 3.39Å; T2405-E2420 VanDerWaalsContact CG2-CG 3.48Å; T2405-E2420 WeakPolarHBondContact CG2-OE1 3.28Å; T2405-V2421 CarbonylContact C-O 3.47Å; T2405-V2421 WeakPolarHBondContact CA-O 3.46Å |
| 2406 | Y | 92.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 127.7 | 178.4 | -68.5 | -101.5 | 0 | 0 | 0 | 109.7 | F2353 F2370 R2371 I2376 M2382 L2393 I2395 D2402 G2404 E2420 V2421 L2423 | F2353-Y2406 HydrophobicContact CE2-CD2 4.32Å; F2353-Y2406 HydrophobicContact CE2-CG 4.46Å; F2370-Y2406 CarbonylContact O-C 3.53Å; F2370-Y2406 VanDerWaalsContact O-CA 3.27Å; F2370-Y2406 WeakPolarHBondContact O-CA 3.38Å; R2371-Y2406 HydrophobicContact CB-CD1 4.09Å; R2371-Y2406 HydrophobicContact CB-CE1 3.94Å; R2371-Y2406 WeakPolarHBondContact CD-OH 3.36Å; R2371-Y2406 HydrophobicContact CG-CD1 4.3Å; R2371-Y2406 HydrophobicContact CG-CE1 3.88Å; R2371-Y2406 HydrophobicContact CG-CE2 4.28Å; R2371-Y2406 PolarHBondContact NE-OH 2.84Å; I2376-Y2406 HydrophobicContact CD1-CD1 3.46Å; I2376-Y2406 VanDerWaalsContact CD1-CD1 3.45Å; I2376-Y2406 HydrophobicContact CD1-CE1 3.57Å; M2382-Y2406 HydrophobicContact CE-CE1 3.77Å; M2382-Y2406 WeakPolarHBondContact CE-OH 3.37Å; L2393-Y2406 HydrophobicContact CD2-CD1 3.24Å; L2393-Y2406 HydrophobicContact CD2-CE1 3.71Å; L2393-Y2406 HydrophobicContact CD2-CG 3.95Å; I2395-Y2406 HydrophobicContact CD1-CE1 3.89Å; I2395-Y2406 HydrophobicContact CD1-CE2 4.35Å; I2395-Y2406 VanDerWaalsContact CD1-OH 3.3Å; I2395-Y2406 WeakPolarHBondContact CD1-OH 3.37Å; D2402-Y2406 VanDerWaalsContact O-CE2 3.28Å; D2402-Y2406 WeakPolarHBondContact O-CE2 3.42Å; D2402-Y2406 PolarHBondContact O-OH 2.85Å; D2402-Y2406 VanDerWaalsContact O-OH 3.1Å; G2404-Y2406 WeakPolarHBondContact O-CD2 3.41Å; Y2406-E2420 CarbonylContact O-C 3.52Å; Y2406-E2420 VanDerWaalsContact O-CA 3.3Å; Y2406-E2420 WeakPolarHBondContact O-CA 3.41Å; Y2406-V2421 PolarHBondContact N-O 2.99Å; Y2406-V2421 PolarHBondContact O-N 2.87Å; Y2406-L2423 HydrophobicContact CD2-CB 4.15Å; Y2406-L2423 HydrophobicContact CE2-CB 3.8Å; Y2406-L2423 HydrophobicContact CE2-CD2 4.06Å; Y2406-L2423 HydrophobicContact CE2-CG 4.48Å |
| 2407 | V | 92.6 | Very high | 87.5 | Confident | 35.6 Ų | 35.6 | 44.3 Ų | 44.3 | 22% | 0.216 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 118.6 | 179.3 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | W2369 F2370 T2405 N2418 A2419 E2420 | W2369-V2407 CarbonylContact C-O 3.53Å; W2369-V2407 WeakPolarHBondContact CA-O 3.38Å; F2370-V2407 HydrophobicContact CB-CB 4.3Å; F2370-V2407 PolarHBondContact N-O 2.9Å; F2370-V2407 PolarHBondContact O-N 2.96Å; T2405-V2407 HydrophobicContact CG2-CG2 4.35Å; V2407-N2418 HydrophobicContact CG1-CB 4.11Å; V2407-A2419 CarbonylContact C-O 3.55Å; V2407-A2419 VanDerWaalsContact CA-O 3.31Å; V2407-A2419 WeakPolarHBondContact CA-O 3.37Å; V2407-E2420 HydrophobicContact CG2-CB 4.23Å; V2407-E2420 HydrophobicContact CG2-CG 4.18Å |
| 2408 | C | 91.5 | Very high | 88 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 124.1 | 167.1 | 176.2 | 0 | 0 | 0 | 0 | 108.4 | L2335 F2355 E2368 W2369 N2418 A2419 | L2335-C2408 HydrophobicContact CD1-CB 4.36Å; L2335-C2408 VanDerWaalsContact CD1-O 3.25Å; L2335-C2408 WeakPolarHBondContact CD1-O 3.36Å; F2355-C2408 HydrophobicContact CD2-CB 3.8Å; F2355-C2408 HydrophobicContact CE2-CB 3.6Å; F2355-C2408 VanDerWaalsContact CE2-CB 3.49Å; F2355-C2408 HydrophobicContact CG-CB 4.46Å; F2355-C2408 HydrophobicContact CZ-CB 4.3Å; E2368-C2408 WeakPolarHBondContact O-CA 3.42Å; W2369-C2408 HydrophobicContact CD2-CB 4.09Å; W2369-C2408 HydrophobicContact CE3-CB 4.04Å; W2369-C2408 HydrophobicContact CH2-CB 4.1Å; W2369-C2408 HydrophobicContact CZ2-CB 4.07Å; W2369-C2408 HydrophobicContact CZ3-CB 4.05Å; C2408-N2418 CarbonylContact O-C 3.51Å; C2408-N2418 VanDerWaalsContact O-CA 3.29Å; C2408-N2418 WeakPolarHBondContact O-CA 3.37Å; C2408-A2419 PolarHBondContact N-O 3.26Å; C2408-A2419 PolarHBondContact O-N 3.07Å |
| 2409 | K | 91.9 | Very high | 88.3 | Confident | 47.8 Ų | 47.8 | 45.7 Ų | 45.7 | 21% | 0.208 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 119.8 | 178.5 | 171.6 | 171 | 179.9 | -137.9 | 0 | 109.6 | V2367 E2368 F2370 T2411 Q2416 D2417 N2418 | V2367-K2409 CarbonylContact C-O 3.52Å; V2367-K2409 VanDerWaalsContact CA-O 3.3Å; V2367-K2409 WeakPolarHBondContact CA-O 3.26Å; E2368-K2409 HydrophobicContact CB-CB 4.46Å; E2368-K2409 PolarHBondContact N-O 3.17Å; E2368-K2409 PolarHBondContact O-N 3.2Å; E2368-K2409 IonicContact OE2-NZ 3.19Å; E2368-K2409 PolarHBondContact OE2-NZ 3.42Å; F2370-K2409 HydrophobicContact CD2-CB 4.27Å; F2370-K2409 HydrophobicContact CE2-CB 3.87Å; F2370-K2409 HydrophobicContact CE2-CD 3.97Å; F2370-K2409 HydrophobicContact CE2-CG 4.44Å; F2370-K2409 HydrophobicContact CZ-CD 4.37Å; K2409-T2411 WeakPolarHBondContact CE-OG1 3.24Å; K2409-T2411 PolarHBondContact NZ-OG1 3.46Å; K2409-Q2416 VanDerWaalsContact CE-OE1 3.28Å; K2409-D2417 WeakPolarHBondContact CA-O 3.26Å; K2409-N2418 WeakPolarHBondContact CA-OD1 3.36Å; K2409-N2418 VanDerWaalsContact CB-OD1 3.29Å; K2409-N2418 WeakPolarHBondContact CB-OD1 3.4Å; K2409-N2418 WeakPolarHBondContact CD-OD1 3.42Å; K2409-N2418 VanDerWaalsContact CG-OD1 3.25Å; K2409-N2418 WeakPolarHBondContact CG-OD1 3.29Å |
| 2410 | A | 91.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 125.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | P2333 L2335 L2357 I2365 Q2366 V2367 Q2416 D2417 | P2333-A2410 HydrophobicContact CB-CB 4.03Å; P2333-A2410 HydrophobicContact CG-CB 4.27Å; P2333-A2410 VanDerWaalsContact CG-O 3.32Å; P2333-A2410 WeakPolarHBondContact CG-O 3.42Å; L2335-A2410 HydrophobicContact CD1-CB 3.9Å; L2335-A2410 HydrophobicContact CD2-CB 4.22Å; L2335-A2410 HydrophobicContact CG-CB 4.02Å; L2357-A2410 HydrophobicContact CD1-CB 3.64Å; I2365-A2410 HydrophobicContact CG2-CB 4.38Å; Q2366-A2410 CarbonylContact O-C 3.55Å; Q2366-A2410 WeakPolarHBondContact O-CA 3.41Å; V2367-A2410 HydrophobicContact CG2-CB 4.33Å; A2410-Q2416 CarbonylContact O-C 3.49Å; A2410-Q2416 VanDerWaalsContact O-CA 3.23Å; A2410-Q2416 WeakPolarHBondContact O-CA 3.39Å; A2410-Q2416 WeakPolarHBondContact O-CB 3.22Å; A2410-D2417 PolarHBondContact N-O 3.05Å; A2410-D2417 PolarHBondContact O-N 3.05Å |
| 2411 | T | 89.8 | Confident | 89.2 | Confident | 40.2 Ų | 40.2 | 46 Ų | 46 | 25% | 0.247 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 125.7 | -177.1 | -49.1 | 0 | 0 | 0 | 0 | 109.7 | I2365 Q2366 K2409 Q2416 | I2365-T2411 CarbonylContact C-O 3.55Å; I2365-T2411 VanDerWaalsContact CA-O 3.27Å; I2365-T2411 WeakPolarHBondContact CA-O 3.38Å; Q2366-T2411 PolarHBondContact N-O 2.87Å; Q2366-T2411 PolarHBondContact O-N 3.32Å; K2409-T2411 WeakPolarHBondContact CE-OG1 3.24Å; K2409-T2411 PolarHBondContact NZ-OG1 3.46Å; T2411-Q2416 HydrophobicContact CG2-CB 4.28Å |
| 2412 | S | 87.4 | Confident | 89.6 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 10% | 0.098 | 25% | 0.245 | C | C | . | . | trans | -123.3 | 178.5 | 174.3 | 82.7 | 0 | 0 | 0 | 0 | 110.9 | P2333 D2362 S2414 G2415 | P2333-S2412 VanDerWaalsContact CD-OG 3.3Å; P2333-S2412 WeakPolarHBondContact CD-OG 3.44Å; D2362-S2412 VanDerWaalsContact OD2-CB 3.29Å; D2362-S2412 WeakPolarHBondContact OD2-CB 3.31Å; D2362-S2412 PolarHBondContact OD2-OG 3.33Å; D2362-S2412 VanDerWaalsContact OD2-OG 3.12Å; S2412-S2414 PolarHBondContact O-N 3.05Å; S2412-S2414 VanDerWaalsContact O-N 3.17Å; S2412-S2414 PolarHBondContact OG-N 3.07Å; S2412-S2414 VanDerWaalsContact OG-N 3.13Å; S2412-S2414 PolarHBondContact OG-OG 3Å; S2412-G2415 CarbonylContact C-O 3.5Å; S2412-G2415 PolarHBondContact N-O 3.05Å; S2412-G2415 PolarHBondContact O-N 3Å; S2412-G2415 VanDerWaalsContact O-O 3.09Å; S2412-G2415 PolarHBondContact OG-N 2.8Å; S2412-G2415 PolarHBondContact OG-O 2.94Å | ||
| 2413 | K | 81.5 | Confident | 89.8 | Confident | 176 Ų | 176 | 44.6 Ų | 44.6 | 77% | 0.765 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -61.5 | -26.8 | 170 | -78.3 | 176.4 | 178.6 | -176.1 | 0 | 113.6 | E2327 S2364 | E2327-K2413 IonicContact OE1-NZ 3.3Å; E2327-K2413 PolarHBondContact OE1-NZ 3.01Å; S2364-K2413 PolarHBondContact OG-N 2.86Å; S2364-K2413 VanDerWaalsContact OG-N 3.11Å |
| 2414 | S | 81.4 | Confident | 89.8 | Confident | 50.2 Ų | 50.2 | 46.7 Ų | 46.7 | 35% | 0.351 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -94.2 | -13.2 | -174 | 38.6 | 0 | 0 | 0 | 0 | 113.9 | Y2330 P2331 P2332 S2412 | Y2330-S2414 VanDerWaalsContact O-CB 3.29Å; Y2330-S2414 WeakPolarHBondContact O-CB 3.31Å; Y2330-S2414 PolarHBondContact O-OG 3.05Å; Y2330-S2414 VanDerWaalsContact O-OG 3.08Å; P2331-S2414 VanDerWaalsContact C-OG 3.22Å; P2331-S2414 PolarHBondContact O-OG 3.04Å; P2332-S2414 WeakPolarHBondContact CA-OG 3.33Å; S2412-S2414 PolarHBondContact O-N 3.05Å; S2412-S2414 VanDerWaalsContact O-N 3.17Å; S2412-S2414 PolarHBondContact OG-N 3.07Å; S2412-S2414 VanDerWaalsContact OG-N 3.13Å; S2412-S2414 PolarHBondContact OG-OG 3Å |
| 2415 | G | 87.2 | Confident | 89.7 | Confident | 28 Ų | 28 | 46.8 Ų | 46.8 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | trans | 163.3 | -168 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P2333 S2412 | P2333-G2415 VanDerWaalsContact CD-O 3.28Å; P2333-G2415 WeakPolarHBondContact CD-O 3.27Å; P2333-G2415 WeakPolarHBondContact CG-O 3.38Å; S2412-G2415 CarbonylContact C-O 3.5Å; S2412-G2415 PolarHBondContact N-O 3.05Å; S2412-G2415 PolarHBondContact O-N 3Å; S2412-G2415 VanDerWaalsContact O-O 3.09Å; S2412-G2415 PolarHBondContact OG-N 2.8Å; S2412-G2415 PolarHBondContact OG-O 2.94Å | ||
| 2416 | Q | 90.6 | Very high | 88.9 | Confident | 114 Ų | 114 | 49.9 Ų | 49.9 | 53% | 0.533 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 152.7 | 173.5 | 67.8 | 179.4 | 5.7 | 0 | 0 | 109.6 | K2409 A2410 T2411 | K2409-Q2416 VanDerWaalsContact CE-OE1 3.28Å; A2410-Q2416 CarbonylContact O-C 3.49Å; A2410-Q2416 VanDerWaalsContact O-CA 3.23Å; A2410-Q2416 WeakPolarHBondContact O-CA 3.39Å; A2410-Q2416 WeakPolarHBondContact O-CB 3.22Å; T2411-Q2416 HydrophobicContact CG2-CB 4.28Å |
| 2417 | D | 92.5 | Very high | 87.3 | Confident | 52.6 Ų | 52.6 | 53.3 Ų | 53.3 | 28% | 0.281 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 150.6 | 170.7 | -172.2 | 29.8 | 0 | 0 | 0 | 110.5 | P2333 A2334 L2335 K2409 A2410 | P2333-D2417 HydrophobicContact CG-CB 4.32Å; P2333-D2417 WeakPolarHBondContact O-CB 3.37Å; A2334-D2417 WeakPolarHBondContact CA-OD2 3.37Å; L2335-D2417 WeakPolarHBondContact CD1-O 3.41Å; L2335-D2417 PolarHBondContact N-OD2 3.07Å; K2409-D2417 WeakPolarHBondContact CA-O 3.26Å; A2410-D2417 PolarHBondContact N-O 3.05Å; A2410-D2417 PolarHBondContact O-N 3.05Å |
| 2418 | N | 91.7 | Very high | 85.5 | Confident | 80.6 Ų | 80.6 | 56.6 Ų | 56.6 | 43% | 0.431 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 131 | -176.6 | -60.7 | -43.3 | 0 | 0 | 0 | 109.8 | V2407 C2408 K2409 | V2407-N2418 HydrophobicContact CG1-CB 4.11Å; C2408-N2418 CarbonylContact O-C 3.51Å; C2408-N2418 VanDerWaalsContact O-CA 3.29Å; C2408-N2418 WeakPolarHBondContact O-CA 3.37Å; K2409-N2418 WeakPolarHBondContact CA-OD1 3.36Å; K2409-N2418 VanDerWaalsContact CB-OD1 3.29Å; K2409-N2418 WeakPolarHBondContact CB-OD1 3.4Å; K2409-N2418 WeakPolarHBondContact CD-OD1 3.42Å; K2409-N2418 VanDerWaalsContact CG-OD1 3.25Å; K2409-N2418 WeakPolarHBondContact CG-OD1 3.29Å |
| 2419 | A | 89.5 | Confident | 83.2 | Confident | 12.8 Ų | 12.8 | 65 Ų | 65 | 11% | 0.106 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 136.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | L2335 F2355 V2407 C2408 | L2335-A2419 HydrophobicContact CB-CB 3.72Å; L2335-A2419 HydrophobicContact CD1-CB 4.08Å; L2335-A2419 HydrophobicContact CG-CB 4.46Å; F2355-A2419 HydrophobicContact CD1-CB 3.58Å; F2355-A2419 HydrophobicContact CE1-CB 3.21Å; F2355-A2419 HydrophobicContact CG-CB 4.4Å; F2355-A2419 HydrophobicContact CZ-CB 3.78Å; V2407-A2419 CarbonylContact C-O 3.55Å; V2407-A2419 VanDerWaalsContact CA-O 3.31Å; V2407-A2419 WeakPolarHBondContact CA-O 3.37Å; C2408-A2419 PolarHBondContact N-O 3.26Å; C2408-A2419 PolarHBondContact O-N 3.07Å |
| 2420 | E | 91.1 | Very high | 80.8 | Confident | 108.2 Ų | 108.2 | 65.9 Ų | 65.9 | 51% | 0.506 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 136.5 | -170 | 145.8 | -177.1 | 163.3 | 0 | 0 | 111.6 | K2341 T2405 Y2406 V2407 | K2341-E2420 WeakPolarHBondContact CE-O 3.39Å; K2341-E2420 WeakPolarHBondContact CE-OE1 3.25Å; K2341-E2420 IonicContact NZ-OE1 3.71Å; K2341-E2420 PolarHBondContact NZ-OE1 3.31Å; T2405-E2420 HydrophobicContact CG2-CB 4.41Å; T2405-E2420 VanDerWaalsContact CG2-CD 3.45Å; T2405-E2420 HydrophobicContact CG2-CG 3.39Å; T2405-E2420 VanDerWaalsContact CG2-CG 3.48Å; T2405-E2420 WeakPolarHBondContact CG2-OE1 3.28Å; Y2406-E2420 CarbonylContact O-C 3.52Å; Y2406-E2420 VanDerWaalsContact O-CA 3.3Å; Y2406-E2420 WeakPolarHBondContact O-CA 3.41Å; V2407-E2420 HydrophobicContact CG2-CB 4.23Å; V2407-E2420 HydrophobicContact CG2-CG 4.18Å |
| 2421 | V | 92.1 | Very high | 78.1 | Confident | 1.6 Ų | 1.6 | 70 Ų | 70 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 150.8 | 175 | -69.2 | 0 | 0 | 0 | 0 | 110.8 | L2337 K2341 F2353 F2355 T2405 Y2406 | L2337-V2421 HydrophobicContact CD1-CG1 3.47Å; L2337-V2421 VanDerWaalsContact CD1-CG1 3.43Å; L2337-V2421 HydrophobicContact CD2-CG1 4.15Å; L2337-V2421 HydrophobicContact CG-CG1 4.45Å; K2341-V2421 CarbonylContact O-C 3.55Å; K2341-V2421 WeakPolarHBondContact O-CA 3.2Å; F2353-V2421 HydrophobicContact CB-CG2 4.14Å; F2353-V2421 HydrophobicContact CD1-CB 3.68Å; F2353-V2421 HydrophobicContact CD1-CG1 3.92Å; F2353-V2421 HydrophobicContact CD1-CG2 3.54Å; F2353-V2421 VanDerWaalsContact CD1-CG2 3.46Å; F2353-V2421 HydrophobicContact CD2-CG2 3.89Å; F2353-V2421 HydrophobicContact CE1-CB 3.69Å; F2353-V2421 HydrophobicContact CE1-CG1 4.3Å; F2353-V2421 HydrophobicContact CE1-CG2 3.78Å; F2353-V2421 HydrophobicContact CE2-CG2 4.1Å; F2353-V2421 HydrophobicContact CG-CB 4.27Å; F2353-V2421 HydrophobicContact CG-CG2 3.59Å; F2353-V2421 HydrophobicContact CZ-CB 4.27Å; F2353-V2421 HydrophobicContact CZ-CG2 4.05Å; F2355-V2421 HydrophobicContact CE1-CG1 4.13Å; F2355-V2421 HydrophobicContact CE2-CG1 4.44Å; F2355-V2421 HydrophobicContact CZ-CB 4.49Å; F2355-V2421 HydrophobicContact CZ-CG1 3.6Å; F2355-V2421 HydrophobicContact CZ-CG2 4.29Å; T2405-V2421 CarbonylContact C-O 3.47Å; T2405-V2421 WeakPolarHBondContact CA-O 3.46Å; Y2406-V2421 PolarHBondContact N-O 2.99Å; Y2406-V2421 PolarHBondContact O-N 2.87Å |
| 2422 | E | 91.5 | Very high | 75.5 | Confident | 74.6 Ų | 74.6 | 72.4 Ų | 72.4 | 35% | 0.349 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 127.7 | -177.1 | -170.7 | -175.6 | 178.7 | 0 | 0 | 110.5 | K2341 M2342 L2343 K2424 | K2341-E2422 PolarHBondContact O-N 3.07Å; M2342-E2422 CarbonylContact C-O 3.55Å; M2342-E2422 VanDerWaalsContact CA-O 3.27Å; M2342-E2422 WeakPolarHBondContact CA-O 3.37Å; M2342-E2422 HydrophobicContact CB-CB 4.43Å; M2342-E2422 HydrophobicContact CG-CB 4.19Å; M2342-E2422 HydrophobicContact CG-CG 4.45Å; L2343-E2422 PolarHBondContact N-O 2.95Å; E2422-K2424 VanDerWaalsContact CD-NZ 3.27Å; E2422-K2424 WeakPolarHBondContact OE1-CE 3.33Å; E2422-K2424 IonicContact OE1-NZ 3.17Å; E2422-K2424 PolarHBondContact OE1-NZ 2.92Å; E2422-K2424 IonicContact OE2-NZ 3.35Å; E2422-K2424 PolarHBondContact OE2-NZ 2.89Å |
| 2423 | L | 91.5 | Very high | 73.1 | Confident | 1.6 Ų | 1.6 | 79.2 Ų | 79.2 | 1% | 0.008 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 124.8 | 173.6 | -177.5 | 59.9 | 0 | 0 | 0 | 110.2 | L2343 I2345 A2351 F2353 I2395 D2402 A2403 G2404 Y2406 V2425 | L2343-L2423 HydrophobicContact CB-CD1 4.18Å; L2343-L2423 HydrophobicContact CD2-CD1 4.12Å; L2343-L2423 HydrophobicContact CG-CD1 4.38Å; L2343-L2423 CarbonylContact O-C 3.54Å; L2343-L2423 WeakPolarHBondContact O-CA 3.2Å; I2345-L2423 HydrophobicContact CD1-CD1 3.98Å; I2345-L2423 HydrophobicContact CG1-CD1 3.98Å; A2351-L2423 HydrophobicContact CB-CD1 3.72Å; A2351-L2423 HydrophobicContact CB-CD2 3.92Å; A2351-L2423 HydrophobicContact CB-CG 4.47Å; F2353-L2423 HydrophobicContact CE2-CB 4.15Å; F2353-L2423 HydrophobicContact CE2-CD1 4.45Å; F2353-L2423 HydrophobicContact CZ-CB 4Å; F2353-L2423 HydrophobicContact CZ-CD1 4.26Å; I2395-L2423 HydrophobicContact CD1-CD2 3.79Å; D2402-L2423 HydrophobicContact CB-CD2 4.23Å; A2403-L2423 CarbonylContact C-O 3.56Å; A2403-L2423 VanDerWaalsContact CA-O 3.26Å; A2403-L2423 WeakPolarHBondContact CA-O 3.28Å; G2404-L2423 PolarHBondContact N-O 3.08Å; G2404-L2423 VanDerWaalsContact N-O 3.1Å; G2404-L2423 PolarHBondContact O-N 2.89Å; Y2406-L2423 HydrophobicContact CD2-CB 4.15Å; Y2406-L2423 HydrophobicContact CE2-CB 3.8Å; Y2406-L2423 HydrophobicContact CE2-CD2 4.06Å; Y2406-L2423 HydrophobicContact CE2-CG 4.48Å; L2423-V2425 HydrophobicContact CD1-CG2 4.37Å; L2423-V2425 HydrophobicContact CD2-CG2 4.08Å; L2423-V2425 HydrophobicContact CG-CG2 3.93Å |
| 2424 | K | 88.6 | Confident | 70.9 | Confident | 81.4 Ų | 81.4 | 76.3 Ų | 76.3 | 35% | 0.354 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117.4 | 169.9 | -69.7 | -172.9 | 177.8 | 141.8 | 0 | 109.6 | M2342 L2343 S2344 I2345 E2422 | M2342-K2424 HydrophobicContact CE-CD 3.75Å; M2342-K2424 VanDerWaalsContact CE-CD 3.44Å; M2342-K2424 HydrophobicContact CE-CG 4.19Å; M2342-K2424 HydrophobicContact CG-CD 4.47Å; M2342-K2424 HydrophobicContact SD-CD 3.98Å; M2342-K2424 PolarHBondContact SD-NZ 3.04Å; L2343-K2424 PolarHBondContact O-N 3.15Å; S2344-K2424 CarbonylContact C-O 3.52Å; S2344-K2424 VanDerWaalsContact CA-O 3.26Å; S2344-K2424 WeakPolarHBondContact CA-O 3.4Å; I2345-K2424 PolarHBondContact N-O 3.01Å; E2422-K2424 VanDerWaalsContact CD-NZ 3.27Å; E2422-K2424 WeakPolarHBondContact OE1-CE 3.33Å; E2422-K2424 IonicContact OE1-NZ 3.17Å; E2422-K2424 PolarHBondContact OE1-NZ 2.92Å; E2422-K2424 IonicContact OE2-NZ 3.35Å; E2422-K2424 PolarHBondContact OE2-NZ 2.89Å |
| 2425 | V | 86.2 | Confident | 68.8 | Low | 17 Ų | 17 | 84.1 Ų | 84.1 | 10% | 0.103 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 111.9 | 175.2 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | I2345 E2347 A2398 E2399 A2403 L2423 S2427 | I2345-V2425 HydrophobicContact CG1-CG2 4.28Å; I2345-V2425 CarbonylContact O-C 3.51Å; I2345-V2425 VanDerWaalsContact O-CA 3.29Å; I2345-V2425 WeakPolarHBondContact O-CA 3.38Å; E2347-V2425 HydrophobicContact CB-CG1 4.22Å; A2398-V2425 HydrophobicContact CB-CG2 4.34Å; E2399-V2425 WeakPolarHBondContact O-CG2 3.39Å; A2403-V2425 HydrophobicContact CB-CB 4.34Å; A2403-V2425 HydrophobicContact CB-CG2 4.41Å; L2423-V2425 HydrophobicContact CD1-CG2 4.37Å; L2423-V2425 HydrophobicContact CD2-CG2 4.08Å; L2423-V2425 HydrophobicContact CG-CG2 3.93Å; V2425-S2427 PolarHBondContact O-N 3.11Å; V2425-S2427 VanDerWaalsContact O-N 3.15Å |
| 2426 | Q | 75.8 | Confident | 66.3 | Low | 112 Ų | 112 | 89.3 Ų | 89.3 | 52% | 0.523 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 112.4 | 176.2 | -64.5 | -172.4 | 16.2 | 0 | 0 | 109.1 | S2344 I2345 E2347 M2428 | S2344-Q2426 PolarHBondContact OG-NE2 3.46Å; S2344-Q2426 VanDerWaalsContact OG-NE2 3.15Å; I2345-Q2426 PolarHBondContact O-N 2.99Å; E2347-Q2426 PolarHBondContact N-O 3.23Å; E2347-Q2426 VanDerWaalsContact N-O 3.13Å; Q2426-M2428 PolarHBondContact O-N 2.88Å; Q2426-M2428 VanDerWaalsContact O-N 3.16Å |
| 2427 | S | 58.9 | Low | 63.8 | Low | 71.4 Ų | 71.4 | 89.1 Ų | 89.1 | 50% | 0.499 | 46% | 0.458 | S | S | . | . | trans | -66.2 | 126.2 | 174 | 163.8 | 0 | 0 | 0 | 0 | 109.9 | V2425 K2429 | V2425-S2427 PolarHBondContact O-N 3.11Å; V2425-S2427 VanDerWaalsContact O-N 3.15Å; S2427-K2429 PolarHBondContact O-N 2.89Å; S2427-K2429 VanDerWaalsContact O-N 3.12Å | ||
| 2428 | M | 53.7 | Low | 61.3 | Low | 105 Ų | 105 | 90.1 Ų | 90.1 | 52% | 0.517 | 47% | 0.469 | S | S | . | . | trans | -74.1 | 106.5 | 172.5 | -74.4 | -156.8 | -81.4 | 0 | 0 | 108.5 | N2346 Q2426 G2430 L2462 | N2346-M2428 HydrophobicContact CB-CG 4.39Å; Q2426-M2428 PolarHBondContact O-N 2.88Å; Q2426-M2428 VanDerWaalsContact O-N 3.16Å; M2428-G2430 VanDerWaalsContact C-N 3.3Å; M2428-G2430 PolarHBondContact O-N 2.81Å; M2428-L2462 HydrophobicContact CB-CD1 4.08Å; M2428-L2462 HydrophobicContact CG-CD1 4.31Å | ||
| 2429 | K | 42.7 | Very low | 59.1 | Low | 176.6 Ų | 176.6 | 93.7 Ų | 93.7 | 77% | 0.768 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 97.1 | 176.7 | -72 | -177.4 | 178.7 | 177.2 | 0 | 110.3 | S2427 L2449 L2460 | S2427-K2429 PolarHBondContact O-N 2.89Å; S2427-K2429 VanDerWaalsContact O-N 3.12Å; K2429-L2449 HydrophobicContact CD-CD2 4.31Å; K2429-L2449 HydrophobicContact CG-CD2 4.38Å; K2429-L2460 HydrophobicContact CD-CD2 3.81Å |
| 2430 | G | 42.3 | Very low | 57.2 | Low | 65.8 Ų | 65.8 | 95.8 Ų | 95.8 | 68% | 0.678 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 170 | -29.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | M2428 L2512 | M2428-G2430 VanDerWaalsContact C-N 3.3Å; M2428-G2430 PolarHBondContact O-N 2.81Å; G2430-L2512 VanDerWaalsContact O-CD2 3.24Å; G2430-L2512 WeakPolarHBondContact O-CD2 3.45Å |
| 2431 | V | 34 | Very low | 55.2 | Low | 85.4 Ų | 85.4 | 92.8 Ų | 92.8 | 52% | 0.518 | 49% | 0.492 | S | S | . | . | trans | -123.8 | 99.8 | -179.2 | -169.1 | 0 | 0 | 0 | 0 | 109.8 | Y2433 L2512 | V2431-Y2433 HydrophobicContact CB-CD2 4.41Å; V2431-Y2433 HydrophobicContact CB-CE2 4.28Å; V2431-Y2433 HydrophobicContact CG1-CD2 3.91Å; V2431-Y2433 HydrophobicContact CG1-CE1 4.46Å; V2431-Y2433 HydrophobicContact CG1-CE2 3.6Å; V2431-Y2433 HydrophobicContact CG1-CG 4.47Å; V2431-Y2433 PolarHBondContact O-N 3.11Å; V2431-L2512 HydrophobicContact CB-CD2 4.11Å; V2431-L2512 HydrophobicContact CG2-CB 4.41Å; V2431-L2512 HydrophobicContact CG2-CD2 3.14Å; V2431-L2512 HydrophobicContact CG2-CG 3.85Å | ||
| 2432 | S | 35.8 | Very low | 53.1 | Low | 91.8 Ų | 91.8 | 94.6 Ų | 94.6 | 64% | 0.642 | 51% | 0.506 | S | S | * | . | trans | -82.1 | 110.1 | 172.1 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | D2434 | S2432-D2434 PolarHBondContact O-N 3.08Å; S2432-D2434 VanDerWaalsContact O-N 3.11Å; S2432-D2434 WeakPolarHBondContact OG-CB 3.34Å; S2432-D2434 PolarHBondContact OG-N 2.72Å | ||
| 2433 | Y | 35.8 | Very low | 51.3 | Low | 155.8 Ų | 155.8 | 99.4 Ų | 99.4 | 61% | 0.611 | 52% | 0.521 | S | S | * | . | trans | -76 | 9.5 | 172 | -80.4 | -84.1 | 0 | 0 | 0 | 113.8 | V2431 W2435 P2514 Y2515 | V2431-Y2433 HydrophobicContact CB-CD2 4.41Å; V2431-Y2433 HydrophobicContact CB-CE2 4.28Å; V2431-Y2433 HydrophobicContact CG1-CD2 3.91Å; V2431-Y2433 HydrophobicContact CG1-CE1 4.46Å; V2431-Y2433 HydrophobicContact CG1-CE2 3.6Å; V2431-Y2433 HydrophobicContact CG1-CG 4.47Å; V2431-Y2433 PolarHBondContact O-N 3.11Å; Y2433-W2435 VanDerWaalsContact C-N 3.29Å; Y2433-W2435 PolarHBondContact O-N 2.89Å; Y2433-P2514 HydrophobicContact CD1-CB 4.41Å; Y2433-P2514 HydrophobicContact CE1-CB 3.31Å; Y2433-P2514 HydrophobicContact CE1-CG 4.34Å; Y2433-P2514 HydrophobicContact CE2-CB 4.32Å; Y2433-P2514 VanDerWaalsContact OH-CA 3.26Å; Y2433-P2514 WeakPolarHBondContact OH-CA 3.36Å; Y2433-P2514 WeakPolarHBondContact OH-CB 3.27Å; Y2433-Y2515 PolarHBondContact OH-N 2.89Å; Y2433-Y2515 VanDerWaalsContact OH-N 3.15Å; Y2433-Y2515 PolarHBondContact OH-O 3.12Å | ||
| 2434 | D | 36.1 | Very low | 49.7 | Very low | 116.2 Ų | 116.2 | 104.6 Ų | 104.6 | 62% | 0.621 | 55% | 0.55 | S | S | * | . | trans | -83.7 | 68.1 | 178.9 | -113.3 | -5.6 | 0 | 0 | 0 | 111.9 | S2432 L2436 I2437 K2439 | S2432-D2434 PolarHBondContact O-N 3.08Å; S2432-D2434 VanDerWaalsContact O-N 3.11Å; S2432-D2434 WeakPolarHBondContact OG-CB 3.34Å; S2432-D2434 PolarHBondContact OG-N 2.72Å; D2434-L2436 PolarHBondContact O-N 3.11Å; D2434-L2436 VanDerWaalsContact O-N 3.08Å; D2434-I2437 HydrophobicContact CB-CD1 3.7Å; D2434-I2437 HydrophobicContact CB-CG1 3.95Å; D2434-I2437 WeakPolarHBondContact O-CB 3.44Å; D2434-I2437 WeakPolarHBondContact O-CG1 3.28Å; D2434-I2437 PolarHBondContact O-N 2.71Å; D2434-K2439 IonicContact OD1-NZ 3.77Å; D2434-K2439 IonicContact OD2-NZ 3.69Å; D2434-K2439 PolarHBondContact OD2-NZ 2.82Å | ||
| 2435 | W | 36.6 | Very low | 48.3 | Very low | 213.2 Ų | 213.2 | 106.6 Ų | 106.6 | 81% | 0.808 | 56% | 0.558 | S | S | * | * | trans | -89.7 | 32.5 | 167.9 | 67 | -85.3 | 0 | 0 | 0 | 112.1 | Y2433 I2437 | Y2433-W2435 VanDerWaalsContact C-N 3.29Å; Y2433-W2435 PolarHBondContact O-N 2.89Å; W2435-I2437 VanDerWaalsContact C-N 3.34Å; W2435-I2437 PolarHBondContact O-N 2.54Å | ||
| 2436 | L | 35.1 | Very low | 47.1 | Very low | 137.6 Ų | 137.6 | 110 Ų | 110 | 72% | 0.72 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | 51.9 | 165.1 | -118.5 | 80.2 | 0 | 0 | 0 | 112.9 | D2434 S2438 | D2434-L2436 PolarHBondContact O-N 3.11Å; D2434-L2436 VanDerWaalsContact O-N 3.08Å; L2436-S2438 PolarHBondContact O-N 2.89Å |
| 2437 | I | 37.4 | Very low | 46.5 | Very low | 109.4 Ų | 109.4 | 108.2 Ų | 108.2 | 56% | 0.561 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -90.1 | 118.1 | 167.2 | -66.3 | 164.8 | 0 | 0 | 0 | 109.2 | D2434 W2435 K2439 A2441 A2442 | D2434-I2437 HydrophobicContact CB-CD1 3.7Å; D2434-I2437 HydrophobicContact CB-CG1 3.95Å; D2434-I2437 WeakPolarHBondContact O-CB 3.44Å; D2434-I2437 WeakPolarHBondContact O-CG1 3.28Å; D2434-I2437 PolarHBondContact O-N 2.71Å; W2435-I2437 VanDerWaalsContact C-N 3.34Å; W2435-I2437 PolarHBondContact O-N 2.54Å; I2437-K2439 PolarHBondContact O-N 3.11Å; I2437-A2441 HydrophobicContact CG2-CB 3.7Å; I2437-A2441 VanDerWaalsContact CG2-CB 3.41Å; I2437-A2442 HydrophobicContact CG2-CB 4.49Å |
| 2438 | S | 40 | Very low | 46.8 | Very low | 73.4 Ų | 73.4 | 110.6 Ų | 110.6 | 51% | 0.513 | 58% | 0.575 | S | S | . | * | trans | -54.3 | 138.9 | -177.4 | 67.9 | 0 | 0 | 0 | 0 | 112.7 | L2436 A2440 A2441 A2442 | L2436-S2438 PolarHBondContact O-N 2.89Å; S2438-A2440 CarbonylContact O-C 3.56Å; S2438-A2440 PolarHBondContact O-N 3.12Å; S2438-A2441 PolarHBondContact O-N 2.99Å; S2438-A2441 VanDerWaalsContact O-N 3.14Å; S2438-A2442 WeakPolarHBondContact O-CB 3.37Å; S2438-A2442 PolarHBondContact O-N 2.99Å; S2438-A2442 VanDerWaalsContact O-N 3.12Å | ||
| 2439 | K | 46.3 | Very low | 46.7 | Very low | 157.6 Ų | 157.6 | 109.9 Ų | 109.9 | 69% | 0.685 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.3 | -15.2 | -179.1 | -96 | -179.5 | 172.3 | 175.9 | 0 | 116.2 | D2434 I2437 R2443 E3191 G3194 T3217 Q3228 | D2434-K2439 IonicContact OD1-NZ 3.77Å; D2434-K2439 IonicContact OD2-NZ 3.69Å; D2434-K2439 PolarHBondContact OD2-NZ 2.82Å; I2437-K2439 PolarHBondContact O-N 3.11Å; K2439-R2443 WeakPolarHBondContact O-CB 3.37Å; K2439-R2443 PolarHBondContact O-N 2.99Å; K2439-E3191 WeakPolarHBondContact CD-OE2 3.39Å; K2439-E3191 IonicContact NZ-OE1 2.71Å; K2439-E3191 PolarHBondContact NZ-OE1 3.15Å; K2439-E3191 IonicContact NZ-OE2 3.25Å; K2439-E3191 PolarHBondContact NZ-OE2 3.44Å; K2439-G3194 VanDerWaalsContact NZ-C 3.33Å; K2439-G3194 PolarHBondContact NZ-O 3.3Å; K2439-T3217 HydrophobicContact CB-CG2 4.13Å; K2439-T3217 HydrophobicContact CD-CG2 4.5Å; K2439-Q3228 PolarHBondContact O-NE2 3.4Å; K2439-Q3228 PolarHBondContact O-OE1 2.97Å |
| 2440 | A | 48.8 | Very low | 47.5 | Very low | 55.8 Ų | 55.8 | 106.5 Ų | 106.5 | 46% | 0.461 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.8 | -54.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S2438 A2442 R2443 D2444 Q3228 | S2438-A2440 CarbonylContact O-C 3.56Å; S2438-A2440 PolarHBondContact O-N 3.12Å; A2440-A2442 VanDerWaalsContact C-N 3.3Å; A2440-A2442 PolarHBondContact O-N 3.01Å; A2440-A2442 VanDerWaalsContact O-N 3.13Å; A2440-R2443 CarbonylContact O-C 3.55Å; A2440-R2443 VanDerWaalsContact O-CA 3.31Å; A2440-R2443 WeakPolarHBondContact O-CA 3.25Å; A2440-R2443 VanDerWaalsContact O-CB 3.26Å; A2440-R2443 WeakPolarHBondContact O-CB 3.31Å; A2440-R2443 PolarHBondContact O-N 2.95Å; A2440-R2443 VanDerWaalsContact O-N 3.1Å; A2440-D2444 VanDerWaalsContact O-CG 3.29Å; A2440-D2444 PolarHBondContact O-N 2.97Å; A2440-D2444 VanDerWaalsContact O-N 3.17Å; A2440-Q3228 VanDerWaalsContact CA-NE2 3.33Å; A2440-Q3228 HydrophobicContact CB-CB 3.93Å; A2440-Q3228 HydrophobicContact CB-CG 3.84Å |
| 2441 | A | 50.5 | Low | 48.4 | Very low | 46.6 Ų | 46.6 | 108.2 Ų | 108.2 | 39% | 0.385 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66 | -30.3 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | I2437 S2438 R2443 D2444 K2445 | I2437-A2441 HydrophobicContact CG2-CB 3.7Å; I2437-A2441 VanDerWaalsContact CG2-CB 3.41Å; S2438-A2441 PolarHBondContact O-N 2.99Å; S2438-A2441 VanDerWaalsContact O-N 3.14Å; A2441-R2443 VanDerWaalsContact C-N 3.28Å; A2441-R2443 PolarHBondContact O-N 2.83Å; A2441-D2444 PolarHBondContact O-N 2.78Å; A2441-K2445 VanDerWaalsContact O-CB 3.28Å; A2441-K2445 WeakPolarHBondContact O-CB 3.35Å; A2441-K2445 PolarHBondContact O-N 2.96Å; A2441-K2445 VanDerWaalsContact O-N 3.1Å |
| 2442 | A | 46.8 | Very low | 49.5 | Very low | 37.6 Ų | 37.6 | 110 Ų | 110 | 31% | 0.311 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.8 | -34.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I2437 S2438 A2440 K2445 I2446 | I2437-A2442 HydrophobicContact CG2-CB 4.49Å; S2438-A2442 WeakPolarHBondContact O-CB 3.37Å; S2438-A2442 PolarHBondContact O-N 2.99Å; S2438-A2442 VanDerWaalsContact O-N 3.12Å; A2440-A2442 VanDerWaalsContact C-N 3.3Å; A2440-A2442 PolarHBondContact O-N 3.01Å; A2440-A2442 VanDerWaalsContact O-N 3.13Å; A2442-K2445 PolarHBondContact O-N 2.86Å; A2442-I2446 WeakPolarHBondContact O-CB 3.33Å; A2442-I2446 VanDerWaalsContact O-CD1 3.23Å; A2442-I2446 WeakPolarHBondContact O-CD1 3.39Å; A2442-I2446 WeakPolarHBondContact O-CG1 3.31Å; A2442-I2446 PolarHBondContact O-N 2.88Å; A2442-I2446 VanDerWaalsContact O-N 3.11Å |
| 2443 | R | 53.2 | Low | 50.2 | Low | 175.2 Ų | 175.2 | 112.2 Ų | 112.2 | 66% | 0.661 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -73.5 | -40.6 | 178.1 | -143.7 | 178.2 | 172.8 | 101.4 | 2.9 | 111.6 | K2439 A2440 A2441 K2445 I2446 T2447 | K2439-R2443 WeakPolarHBondContact O-CB 3.37Å; K2439-R2443 PolarHBondContact O-N 2.99Å; A2440-R2443 CarbonylContact O-C 3.55Å; A2440-R2443 VanDerWaalsContact O-CA 3.31Å; A2440-R2443 WeakPolarHBondContact O-CA 3.25Å; A2440-R2443 VanDerWaalsContact O-CB 3.26Å; A2440-R2443 WeakPolarHBondContact O-CB 3.31Å; A2440-R2443 PolarHBondContact O-N 2.95Å; A2440-R2443 VanDerWaalsContact O-N 3.1Å; A2441-R2443 VanDerWaalsContact C-N 3.28Å; A2441-R2443 PolarHBondContact O-N 2.83Å; R2443-K2445 VanDerWaalsContact C-N 3.34Å; R2443-K2445 PolarHBondContact O-N 2.82Å; R2443-I2446 CarbonylContact O-C 3.58Å; R2443-I2446 PolarHBondContact O-N 2.94Å; R2443-T2447 WeakPolarHBondContact O-CB 3.25Å; R2443-T2447 PolarHBondContact O-N 3.03Å; R2443-T2447 VanDerWaalsContact O-N 3.07Å; R2443-T2447 PolarHBondContact O-OG1 3.04Å; R2443-T2447 VanDerWaalsContact O-OG1 3.08Å |
| 2444 | D | 59.8 | Low | 51.1 | Low | 112.8 Ų | 112.8 | 112.3 Ų | 112.3 | 60% | 0.603 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.2 | -38.1 | 174.9 | -63.5 | -24.5 | 0 | 0 | 0 | 110.9 | A2440 A2441 T2447 E2448 | A2440-D2444 VanDerWaalsContact O-CG 3.29Å; A2440-D2444 PolarHBondContact O-N 2.97Å; A2440-D2444 VanDerWaalsContact O-N 3.17Å; A2441-D2444 PolarHBondContact O-N 2.78Å; D2444-T2447 CarbonylContact O-C 3.53Å; D2444-T2447 PolarHBondContact O-N 3.18Å; D2444-E2448 VanDerWaalsContact O-CB 3.28Å; D2444-E2448 WeakPolarHBondContact O-CB 3.47Å; D2444-E2448 PolarHBondContact O-N 3.08Å |
| 2445 | K | 58.4 | Low | 51.7 | Low | 121.8 Ų | 121.8 | 113.9 Ų | 113.9 | 53% | 0.53 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.2 | -36.6 | 174.8 | -140.3 | 130.6 | -173.9 | 171 | 0 | 112.9 | A2441 A2442 R2443 T2447 E2448 L2449 | A2441-K2445 VanDerWaalsContact O-CB 3.28Å; A2441-K2445 WeakPolarHBondContact O-CB 3.35Å; A2441-K2445 PolarHBondContact O-N 2.96Å; A2441-K2445 VanDerWaalsContact O-N 3.1Å; A2442-K2445 PolarHBondContact O-N 2.86Å; R2443-K2445 VanDerWaalsContact C-N 3.34Å; R2443-K2445 PolarHBondContact O-N 2.82Å; K2445-T2447 VanDerWaalsContact C-N 3.33Å; K2445-E2448 WeakPolarHBondContact CD-OE2 3.32Å; K2445-E2448 VanDerWaalsContact CE-OE2 3.3Å; K2445-E2448 WeakPolarHBondContact CE-OE2 3.43Å; K2445-E2448 IonicContact NZ-OE2 2.72Å; K2445-E2448 PolarHBondContact NZ-OE2 2.72Å; K2445-E2448 PolarHBondContact O-N 2.9Å; K2445-L2449 HydrophobicContact CG-CD1 4.4Å; K2445-L2449 VanDerWaalsContact O-CB 3.28Å; K2445-L2449 WeakPolarHBondContact O-CB 3.41Å; K2445-L2449 WeakPolarHBondContact O-CD1 3.31Å; K2445-L2449 VanDerWaalsContact O-CG 3.32Å; K2445-L2449 WeakPolarHBondContact O-CG 3.41Å; K2445-L2449 PolarHBondContact O-N 3.05Å |
| 2446 | I | 60.2 | Low | 52 | Low | 89.6 Ų | 89.6 | 108.8 Ų | 108.8 | 46% | 0.459 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.1 | -44 | 172.4 | -72.1 | 162.1 | 0 | 0 | 0 | 110 | A2442 R2443 E2448 L2449 E2450 | A2442-I2446 WeakPolarHBondContact O-CB 3.33Å; A2442-I2446 VanDerWaalsContact O-CD1 3.23Å; A2442-I2446 WeakPolarHBondContact O-CD1 3.39Å; A2442-I2446 WeakPolarHBondContact O-CG1 3.31Å; A2442-I2446 PolarHBondContact O-N 2.88Å; A2442-I2446 VanDerWaalsContact O-N 3.11Å; R2443-I2446 CarbonylContact O-C 3.58Å; R2443-I2446 PolarHBondContact O-N 2.94Å; I2446-E2448 VanDerWaalsContact C-N 3.34Å; I2446-E2448 PolarHBondContact O-N 3.13Å; I2446-L2449 CarbonylContact O-C 3.57Å; I2446-L2449 WeakPolarHBondContact O-CB 3.36Å; I2446-L2449 PolarHBondContact O-N 3.04Å; I2446-E2450 HydrophobicContact CG2-CG 4.36Å; I2446-E2450 WeakPolarHBondContact O-CB 3.34Å; I2446-E2450 VanDerWaalsContact O-CG 3.25Å; I2446-E2450 WeakPolarHBondContact O-CG 3.35Å; I2446-E2450 PolarHBondContact O-N 2.97Å |
| 2447 | T | 64.7 | Low | 52.6 | Low | 73.2 Ų | 73.2 | 107.3 Ų | 107.3 | 45% | 0.449 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.7 | -36.5 | 177.7 | -50.7 | 0 | 0 | 0 | 0 | 112 | R2443 D2444 K2445 L2449 E2450 D2451 | R2443-T2447 WeakPolarHBondContact O-CB 3.25Å; R2443-T2447 PolarHBondContact O-N 3.03Å; R2443-T2447 VanDerWaalsContact O-N 3.07Å; R2443-T2447 PolarHBondContact O-OG1 3.04Å; R2443-T2447 VanDerWaalsContact O-OG1 3.08Å; D2444-T2447 CarbonylContact O-C 3.53Å; D2444-T2447 PolarHBondContact O-N 3.18Å; K2445-T2447 VanDerWaalsContact C-N 3.33Å; T2447-L2449 VanDerWaalsContact C-N 3.29Å; T2447-L2449 PolarHBondContact O-N 2.9Å; T2447-E2450 WeakPolarHBondContact CA-OE2 3.18Å; T2447-E2450 PolarHBondContact O-N 2.89Å; T2447-E2450 PolarHBondContact OG1-OE2 3.43Å; T2447-E2450 VanDerWaalsContact OG1-OE2 3.13Å; T2447-D2451 VanDerWaalsContact O-CB 3.28Å; T2447-D2451 WeakPolarHBondContact O-CB 3.23Å; T2447-D2451 PolarHBondContact O-N 3.23Å; T2447-D2451 VanDerWaalsContact O-N 3.1Å |
| 2448 | E | 64.5 | Low | 53 | Low | 122.2 Ų | 122.2 | 109.6 Ų | 109.6 | 57% | 0.571 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.9 | -35.2 | 173.8 | -167.9 | 178.3 | -153.7 | 0 | 0 | 112 | D2444 K2445 I2446 Y2452 | D2444-E2448 VanDerWaalsContact O-CB 3.28Å; D2444-E2448 WeakPolarHBondContact O-CB 3.47Å; D2444-E2448 PolarHBondContact O-N 3.08Å; K2445-E2448 WeakPolarHBondContact CD-OE2 3.32Å; K2445-E2448 VanDerWaalsContact CE-OE2 3.3Å; K2445-E2448 WeakPolarHBondContact CE-OE2 3.43Å; K2445-E2448 IonicContact NZ-OE2 2.72Å; K2445-E2448 PolarHBondContact NZ-OE2 2.72Å; K2445-E2448 PolarHBondContact O-N 2.9Å; I2446-E2448 VanDerWaalsContact C-N 3.34Å; I2446-E2448 PolarHBondContact O-N 3.13Å; E2448-Y2452 WeakPolarHBondContact O-CB 3.37Å; E2448-Y2452 PolarHBondContact O-N 2.9Å; E2448-Y2452 VanDerWaalsContact O-N 3.14Å |
| 2449 | L | 52.6 | Low | 53.2 | Low | 89.6 Ų | 89.6 | 114.3 Ų | 114.3 | 47% | 0.469 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -73.9 | -36.2 | 174 | -74.3 | 164.9 | 0 | 0 | 0 | 112.5 | K2429 K2445 I2446 T2447 D2451 Y2452 L2453 | K2429-L2449 HydrophobicContact CD-CD2 4.31Å; K2429-L2449 HydrophobicContact CG-CD2 4.38Å; K2445-L2449 HydrophobicContact CG-CD1 4.4Å; K2445-L2449 VanDerWaalsContact O-CB 3.28Å; K2445-L2449 WeakPolarHBondContact O-CB 3.41Å; K2445-L2449 WeakPolarHBondContact O-CD1 3.31Å; K2445-L2449 VanDerWaalsContact O-CG 3.32Å; K2445-L2449 WeakPolarHBondContact O-CG 3.41Å; K2445-L2449 PolarHBondContact O-N 3.05Å; I2446-L2449 CarbonylContact O-C 3.57Å; I2446-L2449 WeakPolarHBondContact O-CB 3.36Å; I2446-L2449 PolarHBondContact O-N 3.04Å; T2447-L2449 VanDerWaalsContact C-N 3.29Å; T2447-L2449 PolarHBondContact O-N 2.9Å; L2449-D2451 VanDerWaalsContact C-N 3.33Å; L2449-Y2452 WeakPolarHBondContact O-CB 3.06Å; L2449-Y2452 PolarHBondContact O-N 2.94Å; L2449-L2453 WeakPolarHBondContact O-CB 3.47Å; L2449-L2453 WeakPolarHBondContact O-CD1 3.28Å; L2449-L2453 VanDerWaalsContact O-CG 3.26Å; L2449-L2453 WeakPolarHBondContact O-CG 3.36Å; L2449-L2453 PolarHBondContact O-N 2.99Å; L2449-L2453 VanDerWaalsContact O-N 3.13Å |
| 2450 | E | 59.2 | Low | 52.9 | Low | 105.6 Ų | 105.6 | 111.8 Ų | 111.8 | 49% | 0.493 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.2 | -38.6 | 173 | -74.4 | 172.2 | 164.7 | 0 | 0 | 111.5 | I2446 T2447 Y2452 L2453 Q2454 | I2446-E2450 HydrophobicContact CG2-CG 4.36Å; I2446-E2450 WeakPolarHBondContact O-CB 3.34Å; I2446-E2450 VanDerWaalsContact O-CG 3.25Å; I2446-E2450 WeakPolarHBondContact O-CG 3.35Å; I2446-E2450 PolarHBondContact O-N 2.97Å; T2447-E2450 WeakPolarHBondContact CA-OE2 3.18Å; T2447-E2450 PolarHBondContact O-N 2.89Å; T2447-E2450 PolarHBondContact OG1-OE2 3.43Å; T2447-E2450 VanDerWaalsContact OG1-OE2 3.13Å; E2450-Y2452 VanDerWaalsContact C-N 3.33Å; E2450-Y2452 PolarHBondContact O-N 3.07Å; E2450-L2453 WeakPolarHBondContact O-CB 3.39Å; E2450-L2453 PolarHBondContact O-N 3.44Å; E2450-Q2454 WeakPolarHBondContact O-CG 3.43Å; E2450-Q2454 PolarHBondContact O-N 3.05Å; E2450-Q2454 PolarHBondContact O-NE2 2.81Å; E2450-Q2454 VanDerWaalsContact O-NE2 3.12Å |
| 2451 | D | 60.4 | Low | 52.4 | Low | 101.2 Ų | 101.2 | 115.2 Ų | 115.2 | 54% | 0.541 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69 | -33.9 | 173.1 | -118.1 | 22.9 | 0 | 0 | 0 | 111.8 | T2447 L2449 L2453 Q2454 R2455 | T2447-D2451 VanDerWaalsContact O-CB 3.28Å; T2447-D2451 WeakPolarHBondContact O-CB 3.23Å; T2447-D2451 PolarHBondContact O-N 3.23Å; T2447-D2451 VanDerWaalsContact O-N 3.1Å; L2449-D2451 VanDerWaalsContact C-N 3.33Å; D2451-L2453 VanDerWaalsContact C-N 3.33Å; D2451-Q2454 CarbonylContact O-C 3.57Å; D2451-Q2454 WeakPolarHBondContact O-CA 3.37Å; D2451-Q2454 PolarHBondContact O-N 2.98Å; D2451-R2455 WeakPolarHBondContact O-CG 3.23Å; D2451-R2455 PolarHBondContact O-N 2.93Å |
| 2452 | Y | 57.5 | Low | 51.7 | Low | 123.8 Ų | 123.8 | 119.1 Ų | 119.1 | 49% | 0.485 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.5 | -37.7 | 174.4 | -157.3 | -87.9 | 0 | 0 | 0 | 112.3 | E2448 L2449 E2450 Q2454 R2455 L2460 | E2448-Y2452 WeakPolarHBondContact O-CB 3.37Å; E2448-Y2452 PolarHBondContact O-N 2.9Å; E2448-Y2452 VanDerWaalsContact O-N 3.14Å; L2449-Y2452 WeakPolarHBondContact O-CB 3.06Å; L2449-Y2452 PolarHBondContact O-N 2.94Å; E2450-Y2452 VanDerWaalsContact C-N 3.33Å; E2450-Y2452 PolarHBondContact O-N 3.07Å; Y2452-Q2454 VanDerWaalsContact C-N 3.3Å; Y2452-Q2454 PolarHBondContact O-N 3Å; Y2452-R2455 WeakPolarHBondContact O-CB 3.11Å; Y2452-R2455 PolarHBondContact O-N 3.19Å; Y2452-R2455 VanDerWaalsContact O-N 3.17Å; Y2452-L2460 HydrophobicContact CE1-CD1 3.58Å; Y2452-L2460 HydrophobicContact CE1-CD2 4.19Å; Y2452-L2460 HydrophobicContact CE1-CG 4.11Å; Y2452-L2460 HydrophobicContact CE2-CD2 4Å; Y2452-L2460 WeakPolarHBondContact OH-CG 3.34Å |
| 2453 | L | 50.5 | Low | 51.4 | Low | 138.8 Ų | 138.8 | 122.4 Ų | 122.4 | 73% | 0.727 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70 | -18.3 | 176.2 | -75.9 | 164 | 0 | 0 | 0 | 113.3 | L2449 E2450 D2451 R2455 | L2449-L2453 WeakPolarHBondContact O-CB 3.47Å; L2449-L2453 WeakPolarHBondContact O-CD1 3.28Å; L2449-L2453 VanDerWaalsContact O-CG 3.26Å; L2449-L2453 WeakPolarHBondContact O-CG 3.36Å; L2449-L2453 PolarHBondContact O-N 2.99Å; L2449-L2453 VanDerWaalsContact O-N 3.13Å; E2450-L2453 WeakPolarHBondContact O-CB 3.39Å; E2450-L2453 PolarHBondContact O-N 3.44Å; D2451-L2453 VanDerWaalsContact C-N 3.33Å; L2453-R2455 VanDerWaalsContact C-N 3.31Å |
| 2454 | Q | 53.4 | Low | 51 | Low | 156.6 Ų | 156.6 | 122.8 Ų | 122.8 | 73% | 0.732 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -0.2 | 176.7 | -74.2 | 179.8 | 12.6 | 0 | 0 | 114 | E2450 D2451 Y2452 P2456 | E2450-Q2454 WeakPolarHBondContact O-CG 3.43Å; E2450-Q2454 PolarHBondContact O-N 3.05Å; E2450-Q2454 PolarHBondContact O-NE2 2.81Å; E2450-Q2454 VanDerWaalsContact O-NE2 3.12Å; D2451-Q2454 CarbonylContact O-C 3.57Å; D2451-Q2454 WeakPolarHBondContact O-CA 3.37Å; D2451-Q2454 PolarHBondContact O-N 2.98Å; Y2452-Q2454 VanDerWaalsContact C-N 3.3Å; Y2452-Q2454 PolarHBondContact O-N 3Å; Q2454-P2456 WeakPolarHBondContact O-CD 3.39Å |
| 2455 | R | 49.1 | Very low | 50.5 | Low | 150.6 Ų | 150.6 | 124.5 Ų | 124.5 | 57% | 0.568 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -74.3 | 129.5 | 175.6 | -83.2 | -177.2 | -174.1 | 176 | 4.6 | 111.3 | D2451 Y2452 L2453 S2457 L2460 | D2451-R2455 WeakPolarHBondContact O-CG 3.23Å; D2451-R2455 PolarHBondContact O-N 2.93Å; Y2452-R2455 WeakPolarHBondContact O-CB 3.11Å; Y2452-R2455 PolarHBondContact O-N 3.19Å; Y2452-R2455 VanDerWaalsContact O-N 3.17Å; L2453-R2455 VanDerWaalsContact C-N 3.31Å; R2455-S2457 PolarHBondContact O-N 2.97Å; R2455-L2460 HydrophobicContact CB-CD1 3.86Å; R2455-L2460 HydrophobicContact CB-CD2 4.36Å; R2455-L2460 HydrophobicContact CB-CG 4.05Å; R2455-L2460 WeakPolarHBondContact O-CD1 3.48Å |
| 2456 | P | 43.8 | Very low | 50.8 | Low | 105.8 Ų | 105.8 | 124.6 Ų | 124.6 | 69% | 0.687 | 64% | 0.641 | S | S | * | * | trans | -59.9 | 137.2 | 174.4 | -15.6 | 25.6 | 0 | 0 | 0 | 111.3 | Q2454 D2458 E2459 | Q2454-P2456 WeakPolarHBondContact O-CD 3.39Å; P2456-D2458 PolarHBondContact O-N 3.14Å; P2456-E2459 PolarHBondContact O-N 3.1Å; P2456-E2459 VanDerWaalsContact O-N 3.08Å | ||
| 2457 | S | 46.3 | Very low | 51.5 | Low | 105.6 Ų | 105.6 | 122.6 Ų | 122.6 | 74% | 0.738 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -72.6 | 7.6 | -170.2 | -50.5 | 0 | 0 | 0 | 0 | 115 | R2455 E2459 L2460 | R2455-S2457 PolarHBondContact O-N 2.97Å; S2457-E2459 VanDerWaalsContact C-N 3.29Å; S2457-E2459 PolarHBondContact O-N 3Å; S2457-L2460 PolarHBondContact O-N 2.85Å |
| 2458 | D | 46.7 | Very low | 52.4 | Low | 157.8 Ų | 157.8 | 123 Ų | 123 | 84% | 0.844 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -78.5 | -0.6 | -177.2 | -70.7 | -26.1 | 0 | 0 | 0 | 113.8 | P2456 | P2456-D2458 PolarHBondContact O-N 3.14Š|
| 2459 | E | 45.3 | Very low | 53.4 | Low | 172 Ų | 172 | 119.2 Ų | 119.2 | 80% | 0.804 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -120.2 | 19.5 | 178.9 | -86 | -175.7 | 168 | 0 | 0 | 116.3 | P2456 S2457 V2461 | P2456-E2459 PolarHBondContact O-N 3.1Å; P2456-E2459 VanDerWaalsContact O-N 3.08Å; S2457-E2459 VanDerWaalsContact C-N 3.29Å; S2457-E2459 PolarHBondContact O-N 3Å; E2459-V2461 PolarHBondContact O-N 3.49Å |
| 2460 | L | 39.3 | Very low | 55.2 | Low | 104.6 Ų | 104.6 | 115.2 Ų | 115.2 | 55% | 0.548 | 60% | 0.602 | S | S | . | * | trans | -117.1 | 55.8 | 168.2 | -78.3 | 173.4 | 0 | 0 | 0 | 113.6 | K2429 Y2452 R2455 S2457 L2462 | K2429-L2460 HydrophobicContact CD-CD2 3.81Å; Y2452-L2460 HydrophobicContact CE1-CD1 3.58Å; Y2452-L2460 HydrophobicContact CE1-CD2 4.19Å; Y2452-L2460 HydrophobicContact CE1-CG 4.11Å; Y2452-L2460 HydrophobicContact CE2-CD2 4Å; Y2452-L2460 WeakPolarHBondContact OH-CG 3.34Å; R2455-L2460 HydrophobicContact CB-CD1 3.86Å; R2455-L2460 HydrophobicContact CB-CD2 4.36Å; R2455-L2460 HydrophobicContact CB-CG 4.05Å; R2455-L2460 WeakPolarHBondContact O-CD1 3.48Å; S2457-L2460 PolarHBondContact O-N 2.85Å; L2460-L2462 VanDerWaalsContact C-N 3.33Å; L2460-L2462 PolarHBondContact O-N 2.99Å | ||
| 2461 | V | 38.2 | Very low | 56.7 | Low | 128.2 Ų | 128.2 | 114.2 Ų | 114.2 | 78% | 0.777 | 60% | 0.604 | S | S | * | * | trans | -84.2 | 95.5 | 171.2 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | E2459 P2463 | E2459-V2461 PolarHBondContact O-N 3.49Å; V2461-P2463 VanDerWaalsContact O-CD 3.32Å; V2461-P2463 WeakPolarHBondContact O-CD 3.45Å | ||
| 2462 | L | 35.9 | Very low | 58.1 | Low | 129 Ų | 129 | 110.8 Ų | 110.8 | 68% | 0.675 | 58% | 0.584 | S | S | * | * | trans | -71.1 | 135.3 | 162 | -77.3 | 163.9 | 0 | 0 | 0 | 108 | M2428 L2460 E2464 | M2428-L2462 HydrophobicContact CB-CD1 4.08Å; M2428-L2462 HydrophobicContact CG-CD1 4.31Å; L2460-L2462 VanDerWaalsContact C-N 3.33Å; L2460-L2462 PolarHBondContact O-N 2.99Å; L2462-E2464 PolarHBondContact O-N 3.07Å; L2462-E2464 VanDerWaalsContact O-N 3.09Å | ||
| 2463 | P | 40.4 | Very low | 59.6 | Low | 107 Ų | 107 | 108.4 Ų | 108.4 | 70% | 0.695 | 58% | 0.582 | S | S | * | * | trans | -62.3 | 122.3 | 176.6 | 24.7 | -31.1 | 0 | 0 | 0 | 109.4 | V2461 Q2465 | V2461-P2463 VanDerWaalsContact O-CD 3.32Å; V2461-P2463 WeakPolarHBondContact O-CD 3.45Å; P2463-Q2465 VanDerWaalsContact C-N 3.34Å; P2463-Q2465 PolarHBondContact O-N 3.07Å; P2463-Q2465 VanDerWaalsContact O-N 3.09Å | ||
| 2464 | E | 44.6 | Very low | 61.4 | Low | 183.6 Ų | 183.6 | 103.8 Ų | 103.8 | 86% | 0.858 | 56% | 0.559 | S | S | * | * | trans | -53.8 | 107.2 | 174.5 | -71.5 | -180 | 171.1 | 0 | 0 | 109.1 | L2462 D2466 K2551 | L2462-E2464 PolarHBondContact O-N 3.07Å; L2462-E2464 VanDerWaalsContact O-N 3.09Å; E2464-D2466 VanDerWaalsContact C-N 3.27Å; E2464-D2466 PolarHBondContact O-N 2.85Å; E2464-D2466 VanDerWaalsContact O-N 3.1Å; E2464-K2551 IonicContact OE2-NZ 2.81Å; E2464-K2551 PolarHBondContact OE2-NZ 3.05Å | ||
| 2465 | Q | 50.4 | Low | 63.2 | Low | 148.4 Ų | 148.4 | 99.4 Ų | 99.4 | 69% | 0.693 | 54% | 0.544 | S | S | * | . | trans | -78.2 | 107.8 | 169 | -96.6 | -178.6 | 0.2 | 0 | 0 | 107.5 | P2463 F2467 | P2463-Q2465 VanDerWaalsContact C-N 3.34Å; P2463-Q2465 PolarHBondContact O-N 3.07Å; P2463-Q2465 VanDerWaalsContact O-N 3.09Å; Q2465-F2467 HydrophobicContact CB-CD2 4.19Å; Q2465-F2467 HydrophobicContact CB-CE2 4.02Å; Q2465-F2467 HydrophobicContact CB-CZ 4.23Å; Q2465-F2467 VanDerWaalsContact O-CD2 3.24Å; Q2465-F2467 WeakPolarHBondContact O-CD2 3.21Å; Q2465-F2467 PolarHBondContact O-N 2.93Å | ||
| 2466 | D | 63.6 | Low | 65.2 | Low | 122.4 Ų | 122.4 | 93 Ų | 93 | 66% | 0.655 | 52% | 0.521 | S | S | * | . | trans | -73.1 | 93.6 | 178.9 | -163.7 | 21.7 | 0 | 0 | 0 | 109.4 | E2464 P2468 K2551 | E2464-D2466 VanDerWaalsContact C-N 3.27Å; E2464-D2466 PolarHBondContact O-N 2.85Å; E2464-D2466 VanDerWaalsContact O-N 3.1Å; D2466-P2468 WeakPolarHBondContact O-CD 3.23Å; D2466-K2551 VanDerWaalsContact OD1-CE 3.22Å; D2466-K2551 WeakPolarHBondContact OD1-CE 3.39Å; D2466-K2551 IonicContact OD1-NZ 2.96Å; D2466-K2551 PolarHBondContact OD1-NZ 2.87Å; D2466-K2551 IonicContact OD2-NZ 3.56Å; D2466-K2551 PolarHBondContact OD2-NZ 3.32Å | ||
| 2467 | F | 74.9 | Confident | 67.1 | Low | 47.6 Ų | 47.6 | 94.5 Ų | 94.5 | 21% | 0.209 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -74 | 124.9 | 177.1 | -70.7 | -74.3 | 0 | 0 | 0 | 109.7 | Q2465 P2496 R2498 D2499 K2551 | Q2465-F2467 HydrophobicContact CB-CD2 4.19Å; Q2465-F2467 HydrophobicContact CB-CE2 4.02Å; Q2465-F2467 HydrophobicContact CB-CZ 4.23Å; Q2465-F2467 VanDerWaalsContact O-CD2 3.24Å; Q2465-F2467 WeakPolarHBondContact O-CD2 3.21Å; Q2465-F2467 PolarHBondContact O-N 2.93Å; F2467-P2496 HydrophobicContact CB-CG 3.95Å; F2467-P2496 HydrophobicContact CD1-CB 3.83Å; F2467-P2496 HydrophobicContact CD1-CG 3.91Å; F2467-P2496 HydrophobicContact CE1-CB 4.45Å; F2467-P2496 HydrophobicContact CG-CG 4.37Å; F2467-R2498 WeakPolarHBondContact CZ-O 3.37Å; F2467-D2499 HydrophobicContact CB-CB 4.22Å; F2467-D2499 WeakPolarHBondContact CB-OD2 3.28Å; F2467-D2499 HydrophobicContact CD1-CB 3.94Å; F2467-D2499 HydrophobicContact CD2-CB 4.23Å; F2467-D2499 HydrophobicContact CE1-CB 4.29Å; F2467-D2499 HydrophobicContact CG-CB 3.87Å; F2467-K2551 WeakPolarHBondContact O-CD 3.46Å; F2467-K2551 WeakPolarHBondContact O-CE 3.1Å; F2467-K2551 VanDerWaalsContact O-CG 3.26Å; F2467-K2551 WeakPolarHBondContact O-CG 3.36Å |
| 2468 | P | 83 | Confident | 68.6 | Low | 83.6 Ų | 83.6 | 95.7 Ų | 95.7 | 54% | 0.543 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 165.8 | 176.3 | 28.3 | -34.9 | 0 | 0 | 0 | 111.6 | D2466 P2496 N2549 | D2466-P2468 WeakPolarHBondContact O-CD 3.23Å; P2468-P2496 HydrophobicContact CG-CB 4.45Å; P2468-P2496 HydrophobicContact CG-CG 4.24Å; P2468-P2496 WeakPolarHBondContact O-CD 3.37Å; P2468-N2549 PolarHBondContact O-ND2 2.98Å |
| 2469 | A | 85.7 | Confident | 69.9 | Low | 41 Ų | 41 | 91.2 Ų | 91.2 | 34% | 0.339 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 147.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T2471 K2551 | A2469-T2471 PolarHBondContact O-N 2.81Å; A2469-T2471 PolarHBondContact O-OG1 2.83Å; A2469-K2551 HydrophobicContact CB-CB 4.24Å |
| 2470 | P | 90.8 | Very high | 71.2 | Confident | 6 Ų | 6 | 84.7 Ų | 84.7 | 4% | 0.039 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 144.3 | -176.9 | 18.4 | -23.5 | 0 | 0 | 0 | 110.1 | L2494 Q2495 M2502 A2547 N2549 G2552 A2554 | P2470-L2494 HydrophobicContact CB-CD1 3.86Å; P2470-Q2495 CarbonylContact C-O 3.52Å; P2470-Q2495 VanDerWaalsContact CA-O 3.3Å; P2470-Q2495 WeakPolarHBondContact CA-O 3.28Å; P2470-M2502 HydrophobicContact CB-CE 3.96Å; P2470-M2502 HydrophobicContact CB-SD 3.9Å; P2470-M2502 HydrophobicContact CG-CE 3.99Å; P2470-M2502 HydrophobicContact CG-SD 3.77Å; P2470-A2547 HydrophobicContact CB-CB 4.09Å; P2470-A2547 HydrophobicContact CG-CB 4.38Å; P2470-A2547 VanDerWaalsContact CG-O 3.28Å; P2470-A2547 WeakPolarHBondContact CG-O 3.3Å; P2470-N2549 VanDerWaalsContact CD-CG 3.47Å; P2470-N2549 VanDerWaalsContact CD-OD1 3.28Å; P2470-N2549 WeakPolarHBondContact CD-OD1 3.35Å; P2470-N2549 HydrophobicContact CG-CB 3.97Å; P2470-G2552 VanDerWaalsContact CD-C 3.49Å; P2470-G2552 VanDerWaalsContact CD-O 3.28Å; P2470-G2552 WeakPolarHBondContact CD-O 3.38Å; P2470-G2552 WeakPolarHBondContact CG-O 3.46Å; P2470-A2554 HydrophobicContact CB-CB 4.12Å; P2470-A2554 HydrophobicContact CG-CB 4.05Å; P2470-A2554 VanDerWaalsContact O-CB 3.3Å; P2470-A2554 WeakPolarHBondContact O-CB 3.31Å |
| 2471 | T | 89.9 | Confident | 72.5 | Confident | 85.2 Ų | 85.2 | 87 Ų | 87 | 52% | 0.523 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 129.5 | 178.1 | -55.6 | 0 | 0 | 0 | 0 | 108.9 | A2469 V2473 L2494 Q2495 | A2469-T2471 PolarHBondContact O-N 2.81Å; A2469-T2471 PolarHBondContact O-OG1 2.83Å; T2471-V2473 PolarHBondContact O-N 2.94Å; T2471-L2494 WeakPolarHBondContact O-CA 3.25Å; T2471-Q2495 PolarHBondContact N-O 3.11Å; T2471-Q2495 PolarHBondContact O-N 3Å |
| 2472 | F | 90.7 | Very high | 73.9 | Confident | 30 Ų | 30 | 81.3 Ų | 81.3 | 13% | 0.132 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 106.3 | 172.4 | -70.2 | -76 | 0 | 0 | 0 | 109.9 | V2474 P2475 C2492 Q2493 L2494 C2545 A2547 A2554 T2556 | F2472-V2474 VanDerWaalsContact C-N 3.31Å; F2472-V2474 PolarHBondContact O-N 3.49Å; F2472-P2475 HydrophobicContact CB-CB 4.46Å; F2472-C2492 HydrophobicContact CD1-CB 4.01Å; F2472-C2492 HydrophobicContact CE1-CB 4.24Å; F2472-C2492 VanDerWaalsContact CE1-SG 3.57Å; F2472-Q2493 CarbonylContact C-O 3.54Å; F2472-Q2493 VanDerWaalsContact C-O 3.31Å; F2472-Q2493 VanDerWaalsContact CA-O 3.27Å; F2472-Q2493 WeakPolarHBondContact CA-O 3.26Å; F2472-L2494 HydrophobicContact CD1-CD1 3.89Å; F2472-L2494 HydrophobicContact CD1-CD2 3.43Å; F2472-L2494 VanDerWaalsContact CD1-CD2 3.43Å; F2472-L2494 HydrophobicContact CD1-CG 3.87Å; F2472-L2494 HydrophobicContact CD2-CD2 4.2Å; F2472-L2494 HydrophobicContact CE1-CD1 4.06Å; F2472-L2494 HydrophobicContact CE1-CD2 3.28Å; F2472-L2494 HydrophobicContact CE1-CG 3.67Å; F2472-L2494 HydrophobicContact CE2-CD1 4.38Å; F2472-L2494 HydrophobicContact CE2-CD2 4.07Å; F2472-L2494 HydrophobicContact CG-CD1 4.26Å; F2472-L2494 HydrophobicContact CG-CD2 3.89Å; F2472-L2494 HydrophobicContact CZ-CD1 4.02Å; F2472-L2494 HydrophobicContact CZ-CD2 3.63Å; F2472-L2494 HydrophobicContact CZ-CG 4.38Å; F2472-C2545 HydrophobicContact CZ-CB 4.42Å; F2472-C2545 WeakPolarHBondContact CZ-O 3.4Å; F2472-A2547 HydrophobicContact CE1-CB 4.47Å; F2472-A2547 HydrophobicContact CE2-CB 4.33Å; F2472-A2547 HydrophobicContact CZ-CB 4.06Å; F2472-A2554 HydrophobicContact CD2-CB 3.89Å; F2472-A2554 HydrophobicContact CE2-CB 3.81Å; F2472-A2554 WeakPolarHBondContact CE2-O 3.3Å; F2472-T2556 HydrophobicContact CD1-CG2 3.84Å; F2472-T2556 HydrophobicContact CD2-CG2 3.93Å; F2472-T2556 HydrophobicContact CE1-CG2 3.63Å; F2472-T2556 HydrophobicContact CE2-CG2 3.72Å; F2472-T2556 HydrophobicContact CG-CG2 3.99Å; F2472-T2556 HydrophobicContact CZ-CG2 3.58Å; F2472-T2556 VanDerWaalsContact CZ-CG2 3.46Å |
| 2473 | V | 88.6 | Confident | 75.4 | Confident | 73.4 Ų | 73.4 | 78.7 Ų | 78.7 | 45% | 0.445 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | -37.4 | 173.1 | -174.3 | 0 | 0 | 0 | 0 | 110.2 | T2471 Q2493 Q2495 | T2471-V2473 PolarHBondContact O-N 2.94Å; V2473-Q2493 HydrophobicContact CB-CB 4.37Å; V2473-Q2493 PolarHBondContact N-O 3.14Å; V2473-Q2495 HydrophobicContact CG2-CB 3.8Å; V2473-Q2495 HydrophobicContact CG2-CG 3.54Å; V2473-Q2495 VanDerWaalsContact CG2-CG 3.43Å |
| 2474 | V | 89.6 | Confident | 76.6 | Confident | 40.6 Ų | 40.6 | 74.7 Ų | 74.7 | 25% | 0.246 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 106.8 | 170.7 | -177.7 | 0 | 0 | 0 | 0 | 107.2 | F2472 C2492 Q2493 | F2472-V2474 VanDerWaalsContact C-N 3.31Å; F2472-V2474 PolarHBondContact O-N 3.49Å; V2474-C2492 CarbonylContact O-C 3.45Å; V2474-C2492 VanDerWaalsContact O-CA 3.3Å; V2474-C2492 WeakPolarHBondContact O-CA 3.25Å; V2474-C2492 VanDerWaalsContact O-CB 3.29Å; V2474-C2492 WeakPolarHBondContact O-CB 3.36Å; V2474-Q2493 HydrophobicContact CB-CB 3.82Å; V2474-Q2493 HydrophobicContact CB-CG 4.06Å; V2474-Q2493 HydrophobicContact CG2-CB 4.02Å; V2474-Q2493 HydrophobicContact CG2-CG 4.09Å; V2474-Q2493 VanDerWaalsContact CG2-OE1 3.3Å; V2474-Q2493 PolarHBondContact N-O 3.06Å; V2474-Q2493 PolarHBondContact O-N 3Å |
| 2475 | P | 90.3 | Very high | 77.5 | Confident | 64.2 Ų | 64.2 | 66.9 Ų | 66.9 | 42% | 0.417 | 38% | 0.375 | S | S | . | . | trans | -70.4 | 168.6 | 174 | 31.1 | -34.8 | 0 | 0 | 0 | 110.8 | F2472 Q2477 T2556 | F2472-P2475 HydrophobicContact CB-CB 4.46Å; P2475-Q2477 PolarHBondContact O-N 2.95Å; P2475-T2556 WeakPolarHBondContact CA-OG1 3.39Å; P2475-T2556 VanDerWaalsContact CB-OG1 3.3Å; P2475-T2556 WeakPolarHBondContact CB-OG1 3.27Å | ||
| 2476 | L | 90.2 | Very high | 78.6 | Confident | 16.2 Ų | 16.2 | 63.7 Ų | 63.7 | 9% | 0.085 | 36% | 0.36 | C | S | . | . | trans | -59.8 | 131.5 | 173.6 | -66 | 171.4 | 0 | 0 | 0 | 110.5 | L2490 C2492 W2506 C2545 T2556 I2558 | L2476-L2490 HydrophobicContact CD2-CB 4.11Å; L2476-C2492 HydrophobicContact CD2-CB 3.83Å; L2476-C2492 HydrophobicContact CG-CB 4.16Å; L2476-W2506 HydrophobicContact CD1-CH2 4.24Å; L2476-W2506 HydrophobicContact CD1-CZ3 3.92Å; L2476-W2506 HydrophobicContact CD2-CH2 3.73Å; L2476-W2506 HydrophobicContact CD2-CZ3 4.19Å; L2476-C2545 HydrophobicContact CD1-CB 4.09Å; L2476-T2556 HydrophobicContact CB-CG2 4.35Å; L2476-T2556 HydrophobicContact CD1-CG2 3.83Å; L2476-T2556 HydrophobicContact CG-CG2 3.66Å; L2476-T2556 PolarHBondContact N-OG1 3.03Å; L2476-T2556 VanDerWaalsContact N-OG1 3.11Å; L2476-I2558 HydrophobicContact CB-CB 3.98Å; L2476-I2558 HydrophobicContact CB-CG2 4.24Å; L2476-I2558 HydrophobicContact CD1-CB 4.31Å; L2476-I2558 HydrophobicContact CD1-CG2 3.82Å; L2476-I2558 HydrophobicContact CG-CG2 4.47Å | ||
| 2477 | Q | 83.6 | Confident | 79.3 | Confident | 137.4 Ų | 137.4 | 61.9 Ų | 61.9 | 64% | 0.642 | 35% | 0.354 | S | S | * | . | trans | -105.9 | 144.9 | -179.3 | -61 | -176.9 | 13.9 | 0 | 0 | 110.4 | P2475 V2479 I2558 | P2475-Q2477 PolarHBondContact O-N 2.95Å; Q2477-V2479 PolarHBondContact O-N 2.93Å; Q2477-I2558 WeakPolarHBondContact O-CD1 3.31Å | ||
| 2478 | D | 78.6 | Confident | 79.8 | Confident | 132.2 Ų | 132.2 | 59.8 Ų | 59.8 | 71% | 0.707 | 35% | 0.345 | S | S | * | . | trans | -55.1 | 122.9 | 177.1 | -171 | 0.4 | 0 | 0 | 0 | 111.1 | G2480 | D2478-G2480 VanDerWaalsContact C-N 3.31Å; D2478-G2480 PolarHBondContact OD1-N 2.86Å | ||
| 2479 | V | 74.7 | Confident | 80.1 | Confident | 61.8 Ų | 61.8 | 61.1 Ų | 61.1 | 38% | 0.375 | 34% | 0.344 | S | S | . | . | trans | -84.7 | -6.2 | -179.6 | -123.2 | 0 | 0 | 0 | 0 | 112.3 | Q2477 I2482 V2488 L2490 I2558 L2560 | Q2477-V2479 PolarHBondContact O-N 2.93Å; V2479-I2482 HydrophobicContact CB-CD1 3.98Å; V2479-I2482 HydrophobicContact CG1-CD1 4.28Å; V2479-I2482 HydrophobicContact CG2-CD1 4.13Å; V2479-V2488 HydrophobicContact CG1-CG1 4.46Å; V2479-V2488 HydrophobicContact CG2-CG1 4.44Å; V2479-L2490 HydrophobicContact CG1-CD2 4.25Å; V2479-L2490 HydrophobicContact CG2-CD2 3.61Å; V2479-L2490 VanDerWaalsContact CG2-CD2 3.43Å; V2479-I2558 HydrophobicContact CG2-CD1 3.61Å; V2479-L2560 HydrophobicContact CB-CD2 4.48Å; V2479-L2560 HydrophobicContact CG2-CD2 3.73Å | ||
| 2480 | G | 71.3 | Confident | 80.4 | Confident | 36.6 Ų | 36.6 | 59.2 Ų | 59.2 | 38% | 0.377 | 33% | 0.328 | S | S | . | . | trans | 81.2 | -159.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D2478 | D2478-G2480 VanDerWaalsContact C-N 3.31Å; D2478-G2480 PolarHBondContact OD1-N 2.86Å | ||
| 2481 | Q | 66.3 | Low | 80.3 | Confident | 152.4 Ų | 152.4 | 61.8 Ų | 61.8 | 71% | 0.712 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 127.6 | 176.7 | -74.5 | -178.7 | -35.8 | 0 | 0 | 110.1 | T2563 | Q2481-T2563 HydrophobicContact CG-CG2 4.48Å; Q2481-T2563 VanDerWaalsContact NE2-CG2 3.29Å; Q2481-T2563 PolarHBondContact NE2-OG1 2.78Å |
| 2482 | I | 69.4 | Low | 80.4 | Confident | 8.8 Ų | 8.8 | 57.8 Ų | 57.8 | 5% | 0.045 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 137.8 | -179.2 | -64.9 | 152 | 0 | 0 | 0 | 108.8 | V2479 E2486 V2488 V2535 L2560 N2562 T2563 | V2479-I2482 HydrophobicContact CB-CD1 3.98Å; V2479-I2482 HydrophobicContact CG1-CD1 4.28Å; V2479-I2482 HydrophobicContact CG2-CD1 4.13Å; I2482-E2486 WeakPolarHBondContact CA-OE2 3.48Å; I2482-E2486 HydrophobicContact CG2-CB 4.23Å; I2482-V2488 HydrophobicContact CB-CG2 4.33Å; I2482-V2488 HydrophobicContact CD1-CB 4.39Å; I2482-V2488 HydrophobicContact CD1-CG1 4.12Å; I2482-V2488 HydrophobicContact CD1-CG2 3.45Å; I2482-V2488 VanDerWaalsContact CD1-CG2 3.47Å; I2482-V2488 HydrophobicContact CG1-CG2 3.89Å; I2482-V2488 HydrophobicContact CG2-CG2 3.6Å; I2482-V2488 VanDerWaalsContact CG2-CG2 3.49Å; I2482-V2535 HydrophobicContact CG2-CB 4.26Å; I2482-V2535 HydrophobicContact CG2-CG1 4.1Å; I2482-V2535 HydrophobicContact CG2-CG2 4.11Å; I2482-L2560 HydrophobicContact CB-CD2 4.49Å; I2482-L2560 HydrophobicContact CD1-CD2 3.44Å; I2482-L2560 VanDerWaalsContact CD1-CD2 3.47Å; I2482-L2560 HydrophobicContact CD1-CG 3.91Å; I2482-N2562 WeakPolarHBondContact O-CA 3.33Å; I2482-N2562 PolarHBondContact O-OD1 3.06Å; I2482-T2563 PolarHBondContact O-N 3.06Å; I2482-T2563 VanDerWaalsContact O-N 3.09Å |
| 2483 | N | 65.8 | Low | 80.4 | Confident | 73.8 Ų | 73.8 | 59.4 Ų | 59.4 | 40% | 0.395 | 33% | 0.327 | S | S | . | . | trans | -92.2 | 152.5 | 176.7 | -56.4 | -52.3 | 0 | 0 | 0 | 111.1 | G2485 E2486 | N2483-G2485 PolarHBondContact O-N 3.06Å; N2483-E2486 HydrophobicContact CB-CG 4.26Å; N2483-E2486 PolarHBondContact N-OE2 3.04Å; N2483-E2486 PolarHBondContact ND2-OE1 3.07Å; N2483-E2486 VanDerWaalsContact ND2-OE1 3.1Å; N2483-E2486 WeakPolarHBondContact O-CB 3.48Å; N2483-E2486 PolarHBondContact O-N 2.94Å | ||
| 2484 | E | 66.6 | Low | 80.5 | Confident | 24.2 Ų | 24.2 | 56.1 Ų | 56.1 | 11% | 0.113 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 134.6 | 171.4 | -76.5 | -169.8 | 151.2 | 0 | 0 | 111.6 | V2535 N2537 N2562 T2564 V2596 P2597 I2598 | E2484-V2535 CarbonylContact C-O 3.56Å; E2484-V2535 VanDerWaalsContact CA-O 3.28Å; E2484-V2535 WeakPolarHBondContact CA-O 3.4Å; E2484-N2537 WeakPolarHBondContact OE1-CB 3.39Å; E2484-N2537 PolarHBondContact OE1-N 2.99Å; E2484-N2537 VanDerWaalsContact OE1-N 3.11Å; E2484-N2537 PolarHBondContact OE1-ND2 2.8Å; E2484-N2537 PolarHBondContact OE1-OD1 2.92Å; E2484-N2562 VanDerWaalsContact CG-ND2 3.27Å; E2484-N2562 WeakPolarHBondContact CG-ND2 3.37Å; E2484-T2564 HydrophobicContact CB-CG2 4.3Å; E2484-T2564 HydrophobicContact CG-CG2 4.28Å; E2484-T2564 PolarHBondContact N-OG1 2.97Å; E2484-T2564 WeakPolarHBondContact OE2-CG2 3.29Å; E2484-V2596 HydrophobicContact CB-CG1 3.88Å; E2484-V2596 HydrophobicContact CB-CG2 4.16Å; E2484-V2596 HydrophobicContact CG-CG1 4.44Å; E2484-V2596 WeakPolarHBondContact O-CG1 3.26Å; E2484-V2596 VanDerWaalsContact O-CG2 3.31Å; E2484-V2596 WeakPolarHBondContact O-CG2 3.36Å; E2484-P2597 WeakPolarHBondContact OE2-CA 3.46Å; E2484-I2598 HydrophobicContact CB-CD1 4.27Å; E2484-I2598 HydrophobicContact CB-CG1 4.25Å; E2484-I2598 WeakPolarHBondContact O-CD1 3.5Å; E2484-I2598 PolarHBondContact OE2-N 2.94Å |
| 2485 | G | 63.5 | Low | 80.3 | Confident | 18.6 Ų | 18.6 | 59.5 Ų | 59.5 | 19% | 0.192 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | -7.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | N2483 Y2534 V2535 R2594 | N2483-G2485 PolarHBondContact O-N 3.06Å; G2485-Y2534 WeakPolarHBondContact O-CD1 3.42Å; G2485-V2535 PolarHBondContact N-O 3.14Å; G2485-R2594 PolarHBondContact O-NH1 2.91Å; G2485-R2594 VanDerWaalsContact O-NH1 3.07Å |
| 2486 | E | 73 | Confident | 80.1 | Confident | 80.8 Ų | 80.8 | 57.3 Ų | 57.3 | 38% | 0.378 | 31% | 0.306 | S | S | . | . | trans | -73.1 | 161.2 | 173.7 | -71.4 | 177.7 | 175.9 | 0 | 0 | 112 | I2482 N2483 Y2534 V2535 | I2482-E2486 WeakPolarHBondContact CA-OE2 3.48Å; I2482-E2486 HydrophobicContact CG2-CB 4.23Å; N2483-E2486 HydrophobicContact CB-CG 4.26Å; N2483-E2486 PolarHBondContact N-OE2 3.04Å; N2483-E2486 PolarHBondContact ND2-OE1 3.07Å; N2483-E2486 VanDerWaalsContact ND2-OE1 3.1Å; N2483-E2486 WeakPolarHBondContact O-CB 3.48Å; N2483-E2486 PolarHBondContact O-N 2.94Å; E2486-Y2534 CarbonylContact O-C 3.56Å; E2486-Y2534 VanDerWaalsContact O-CA 3.27Å; E2486-Y2534 WeakPolarHBondContact O-CA 3.28Å; E2486-Y2534 PolarHBondContact O-N 2.95Å; E2486-Y2534 VanDerWaalsContact O-N 3.17Å; E2486-V2535 WeakPolarHBondContact O-CG2 3.33Å; E2486-V2535 PolarHBondContact O-N 2.99Å | ||
| 2487 | V | 78.7 | Confident | 79.6 | Confident | 84.6 Ų | 84.6 | 59.1 Ų | 59.1 | 51% | 0.513 | 32% | 0.318 | S | S | . | . | trans | -93.5 | 127.2 | 173 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | V2531 I2532 Q2533 | V2487-V2531 HydrophobicContact CG1-CG1 4.01Å; V2487-I2532 CarbonylContact C-O 3.58Å; V2487-I2532 VanDerWaalsContact CA-O 3.29Å; V2487-I2532 WeakPolarHBondContact CA-O 3.42Å; V2487-Q2533 WeakPolarHBondContact CG2-O 3.31Å | ||
| 2488 | V | 85.9 | Confident | 79.1 | Confident | 4.6 Ų | 4.6 | 62 Ų | 62 | 3% | 0.028 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 135.2 | 177.4 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | V2479 I2482 L2490 V2531 I2532 V2535 L2560 | V2479-V2488 HydrophobicContact CG1-CG1 4.46Å; V2479-V2488 HydrophobicContact CG2-CG1 4.44Å; I2482-V2488 HydrophobicContact CB-CG2 4.33Å; I2482-V2488 HydrophobicContact CD1-CB 4.39Å; I2482-V2488 HydrophobicContact CD1-CG1 4.12Å; I2482-V2488 HydrophobicContact CD1-CG2 3.45Å; I2482-V2488 VanDerWaalsContact CD1-CG2 3.47Å; I2482-V2488 HydrophobicContact CG1-CG2 3.89Å; I2482-V2488 HydrophobicContact CG2-CG2 3.6Å; I2482-V2488 VanDerWaalsContact CG2-CG2 3.49Å; V2488-L2490 HydrophobicContact CG1-CD2 3.85Å; V2488-L2490 HydrophobicContact CG1-CG 4.12Å; V2488-V2531 CarbonylContact O-C 3.45Å; V2488-V2531 VanDerWaalsContact O-CA 3.32Å; V2488-V2531 WeakPolarHBondContact O-CA 3.34Å; V2488-I2532 HydrophobicContact CB-CB 4.38Å; V2488-I2532 HydrophobicContact CG1-CD1 4.38Å; V2488-I2532 PolarHBondContact N-O 3.06Å; V2488-I2532 PolarHBondContact O-N 3.03Å; V2488-V2535 HydrophobicContact CB-CG2 3.97Å; V2488-V2535 HydrophobicContact CG2-CG2 3.45Å; V2488-V2535 VanDerWaalsContact CG2-CG2 3.47Å; V2488-L2560 HydrophobicContact CG1-CD1 4.14Å; V2488-L2560 HydrophobicContact CG1-CD2 4.12Å; V2488-L2560 HydrophobicContact CG2-CD2 4.46Å |
| 2489 | Q | 89 | Confident | 79.2 | Confident | 109.8 Ų | 109.8 | 56.4 Ų | 56.4 | 51% | 0.513 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 112.2 | 175.4 | -74.4 | -172.1 | -38.5 | 0 | 0 | 109.9 | T2491 T2529 L2530 V2531 | Q2489-T2491 PolarHBondContact NE2-OG1 3.12Å; Q2489-T2491 VanDerWaalsContact NE2-OG1 3.11Å; Q2489-T2491 PolarHBondContact O-N 2.9Å; Q2489-T2529 HydrophobicContact CB-CG2 4.2Å; Q2489-T2529 HydrophobicContact CG-CG2 3.41Å; Q2489-T2529 VanDerWaalsContact CG-CG2 3.41Å; Q2489-L2530 CarbonylContact C-O 3.5Å; Q2489-L2530 WeakPolarHBondContact CA-O 3.38Å; Q2489-V2531 HydrophobicContact CG-CG1 4.25Å; Q2489-V2531 HydrophobicContact CG-CG2 4.13Å |
| 2490 | L | 90.7 | Very high | 79.1 | Confident | 2.8 Ų | 2.8 | 59 Ų | 59 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 107.3 | 175.1 | -57.1 | -176.5 | 0 | 0 | 0 | 108.6 | L2476 V2479 V2488 W2506 T2529 L2530 Y2543 I2558 L2560 | L2476-L2490 HydrophobicContact CD2-CB 4.11Å; V2479-L2490 HydrophobicContact CG1-CD2 4.25Å; V2479-L2490 HydrophobicContact CG2-CD2 3.61Å; V2479-L2490 VanDerWaalsContact CG2-CD2 3.43Å; V2488-L2490 HydrophobicContact CG1-CD2 3.85Å; V2488-L2490 HydrophobicContact CG1-CG 4.12Å; L2490-W2506 HydrophobicContact CB-CH2 3.83Å; L2490-W2506 HydrophobicContact CB-CZ3 3.96Å; L2490-W2506 HydrophobicContact CD1-CZ3 4.19Å; L2490-W2506 VanDerWaalsContact O-CH2 3.27Å; L2490-W2506 WeakPolarHBondContact O-CH2 3.35Å; L2490-T2529 CarbonylContact O-C 3.57Å; L2490-T2529 VanDerWaalsContact O-CA 3.29Å; L2490-T2529 WeakPolarHBondContact O-CA 3.33Å; L2490-L2530 HydrophobicContact CB-CB 4.28Å; L2490-L2530 HydrophobicContact CD1-CD2 4.18Å; L2490-L2530 PolarHBondContact N-O 3.15Å; L2490-L2530 PolarHBondContact O-N 3.22Å; L2490-Y2543 HydrophobicContact CD1-CD1 3.85Å; L2490-Y2543 HydrophobicContact CD1-CD2 4.22Å; L2490-Y2543 HydrophobicContact CD1-CE1 4.46Å; L2490-Y2543 HydrophobicContact CD1-CG 3.72Å; L2490-I2558 HydrophobicContact CD1-CG2 3.97Å; L2490-I2558 HydrophobicContact CD2-CD1 3.88Å; L2490-I2558 HydrophobicContact CD2-CG2 4.21Å; L2490-L2560 HydrophobicContact CD1-CD1 4.15Å; L2490-L2560 HydrophobicContact CD2-CD1 4.21Å; L2490-L2560 HydrophobicContact CD2-CD2 4.14Å; L2490-L2560 HydrophobicContact CD2-CG 4.48Å; L2490-L2560 HydrophobicContact CG-CD1 4.39Å |
| 2491 | T | 90.4 | Very high | 79.4 | Confident | 60.4 Ų | 60.4 | 59.5 Ų | 59.5 | 37% | 0.371 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 135.3 | -176.1 | -40 | 0 | 0 | 0 | 0 | 111.6 | Q2489 V2528 T2529 | Q2489-T2491 PolarHBondContact NE2-OG1 3.12Å; Q2489-T2491 VanDerWaalsContact NE2-OG1 3.11Å; Q2489-T2491 PolarHBondContact O-N 2.9Å; T2491-V2528 CarbonylContact C-O 3.49Å; T2491-V2528 WeakPolarHBondContact CA-O 3.34Å; T2491-T2529 HydrophobicContact CG2-CG2 3.63Å; T2491-T2529 WeakPolarHBondContact CG2-OG1 3.26Å; T2491-T2529 VanDerWaalsContact OG1-CG2 3.25Å; T2491-T2529 WeakPolarHBondContact OG1-CG2 3.35Å; T2491-T2529 PolarHBondContact OG1-OG1 2.93Å |
| 2492 | C | 91.6 | Very high | 80.3 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 164.6 | 169.7 | 56.6 | 0 | 0 | 0 | 0 | 110.8 | F2472 V2474 L2476 H2527 V2528 C2545 T2556 | F2472-C2492 HydrophobicContact CD1-CB 4.01Å; F2472-C2492 HydrophobicContact CE1-CB 4.24Å; F2472-C2492 VanDerWaalsContact CE1-SG 3.57Å; V2474-C2492 CarbonylContact O-C 3.45Å; V2474-C2492 VanDerWaalsContact O-CA 3.3Å; V2474-C2492 WeakPolarHBondContact O-CA 3.25Å; V2474-C2492 VanDerWaalsContact O-CB 3.29Å; V2474-C2492 WeakPolarHBondContact O-CB 3.36Å; L2476-C2492 HydrophobicContact CD2-CB 3.83Å; L2476-C2492 HydrophobicContact CG-CB 4.16Å; C2492-H2527 WeakPolarHBondContact O-CA 3.27Å; C2492-V2528 PolarHBondContact N-O 3.19Å; C2492-V2528 PolarHBondContact O-N 3.06Å; C2492-V2528 VanDerWaalsContact O-O 3.08Å; C2492-C2545 VanDerWaalsContact SG-SG 3.67Å; C2492-T2556 HydrophobicContact CB-CG2 4.37Å |
| 2493 | Q | 90.8 | Very high | 81.1 | Confident | 62.4 Ų | 62.4 | 57 Ų | 57 | 29% | 0.292 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 136.5 | 176.8 | -80.4 | 179.6 | 0.7 | 0 | 0 | 111.2 | F2472 V2473 V2474 G2526 H2527 | F2472-Q2493 CarbonylContact C-O 3.54Å; F2472-Q2493 VanDerWaalsContact C-O 3.31Å; F2472-Q2493 VanDerWaalsContact CA-O 3.27Å; F2472-Q2493 WeakPolarHBondContact CA-O 3.26Å; V2473-Q2493 HydrophobicContact CB-CB 4.37Å; V2473-Q2493 PolarHBondContact N-O 3.14Å; V2474-Q2493 HydrophobicContact CB-CB 3.82Å; V2474-Q2493 HydrophobicContact CB-CG 4.06Å; V2474-Q2493 HydrophobicContact CG2-CB 4.02Å; V2474-Q2493 HydrophobicContact CG2-CG 4.09Å; V2474-Q2493 VanDerWaalsContact CG2-OE1 3.3Å; V2474-Q2493 PolarHBondContact N-O 3.06Å; V2474-Q2493 PolarHBondContact O-N 3Å; Q2493-G2526 CarbonylContact C-O 3.52Å; Q2493-G2526 VanDerWaalsContact CA-O 3.29Å; Q2493-G2526 WeakPolarHBondContact CA-O 3.34Å; Q2493-H2527 VanDerWaalsContact CD-CE1 3.49Å; Q2493-H2527 PolarHBondContact NE2-CE1 3.14Å; Q2493-H2527 VanDerWaalsContact NE2-CE1 3.32Å; Q2493-H2527 PolarHBondContact NE2-NE2 3.32Å |
| 2494 | L | 90.2 | Very high | 82.3 | Confident | 5.6 Ų | 5.6 | 54.8 Ų | 54.8 | 3% | 0.029 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 142.8 | -172.7 | -146.8 | 107.4 | 0 | 0 | 0 | 111.6 | P2470 T2471 F2472 M2502 I2504 G2526 V2528 A2547 | P2470-L2494 HydrophobicContact CB-CD1 3.86Å; T2471-L2494 WeakPolarHBondContact O-CA 3.25Å; F2472-L2494 HydrophobicContact CD1-CD1 3.89Å; F2472-L2494 HydrophobicContact CD1-CD2 3.43Å; F2472-L2494 VanDerWaalsContact CD1-CD2 3.43Å; F2472-L2494 HydrophobicContact CD1-CG 3.87Å; F2472-L2494 HydrophobicContact CD2-CD2 4.2Å; F2472-L2494 HydrophobicContact CE1-CD1 4.06Å; F2472-L2494 HydrophobicContact CE1-CD2 3.28Å; F2472-L2494 HydrophobicContact CE1-CG 3.67Å; F2472-L2494 HydrophobicContact CE2-CD1 4.38Å; F2472-L2494 HydrophobicContact CE2-CD2 4.07Å; F2472-L2494 HydrophobicContact CG-CD1 4.26Å; F2472-L2494 HydrophobicContact CG-CD2 3.89Å; F2472-L2494 HydrophobicContact CZ-CD1 4.02Å; F2472-L2494 HydrophobicContact CZ-CD2 3.63Å; F2472-L2494 HydrophobicContact CZ-CG 4.38Å; L2494-M2502 HydrophobicContact CD1-CE 4.05Å; L2494-M2502 HydrophobicContact CD1-SD 4.1Å; L2494-M2502 HydrophobicContact CD2-CE 4.09Å; L2494-M2502 HydrophobicContact CD2-CG 3.8Å; L2494-M2502 HydrophobicContact CD2-SD 3.72Å; L2494-M2502 HydrophobicContact CG-CE 4.35Å; L2494-M2502 HydrophobicContact CG-SD 4.35Å; L2494-I2504 HydrophobicContact CD1-CD1 3.86Å; L2494-I2504 HydrophobicContact CD1-CG1 3.89Å; L2494-I2504 HydrophobicContact CD2-CD1 3.87Å; L2494-I2504 HydrophobicContact CD2-CG1 4.33Å; L2494-G2526 WeakPolarHBondContact CB-O 3.36Å; L2494-G2526 PolarHBondContact N-O 3.12Å; L2494-G2526 WeakPolarHBondContact O-CA 3.22Å; L2494-V2528 HydrophobicContact CB-CG2 4.14Å; L2494-V2528 HydrophobicContact CD1-CG2 3.54Å; L2494-V2528 HydrophobicContact CD2-CG2 4.09Å; L2494-V2528 HydrophobicContact CG-CG2 4.43Å; L2494-A2547 HydrophobicContact CD1-CB 3.71Å; L2494-A2547 HydrophobicContact CD2-CB 3.79Å; L2494-A2547 HydrophobicContact CG-CB 4.29Å |
| 2495 | Q | 86.1 | Confident | 83.4 | Confident | 110.4 Ų | 110.4 | 55.9 Ų | 55.9 | 52% | 0.516 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 153.7 | 162.3 | -83.9 | -178.7 | -6.2 | 0 | 0 | 110.1 | P2470 T2471 V2473 V2497 | P2470-Q2495 CarbonylContact C-O 3.52Å; P2470-Q2495 VanDerWaalsContact CA-O 3.3Å; P2470-Q2495 WeakPolarHBondContact CA-O 3.28Å; T2471-Q2495 PolarHBondContact N-O 3.11Å; T2471-Q2495 PolarHBondContact O-N 3Å; V2473-Q2495 HydrophobicContact CG2-CB 3.8Å; V2473-Q2495 HydrophobicContact CG2-CG 3.54Å; V2473-Q2495 VanDerWaalsContact CG2-CG 3.43Å; Q2495-V2497 HydrophobicContact CG-CG2 4.32Å |
| 2496 | P | 85 | Confident | 84.7 | Confident | 19.8 Ų | 19.8 | 55.4 Ų | 55.4 | 13% | 0.129 | 29% | 0.288 | C | S | . | . | S | Bend | cis | -72.6 | 149 | -3.8 | 29.5 | -34.1 | 0 | 0 | 0 | 113 | F2467 P2468 D2499 M2502 | F2467-P2496 HydrophobicContact CB-CG 3.95Å; F2467-P2496 HydrophobicContact CD1-CB 3.83Å; F2467-P2496 HydrophobicContact CD1-CG 3.91Å; F2467-P2496 HydrophobicContact CE1-CB 4.45Å; F2467-P2496 HydrophobicContact CG-CG 4.37Å; P2468-P2496 HydrophobicContact CG-CB 4.45Å; P2468-P2496 HydrophobicContact CG-CG 4.24Å; P2468-P2496 WeakPolarHBondContact O-CD 3.37Å; P2496-D2499 HydrophobicContact CG-CB 4.13Å; P2496-M2502 HydrophobicContact CG-CE 4.27Å; P2496-M2502 VanDerWaalsContact O-CE 3.29Å; P2496-M2502 WeakPolarHBondContact O-CE 2.85Å |
| 2497 | V | 79.7 | Confident | 85.5 | Confident | 54 Ų | 54 | 55.1 Ų | 55.1 | 33% | 0.327 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 142.1 | 175.1 | -169.1 | 0 | 0 | 0 | 0 | 108.7 | Q2495 D2499 F2525 | Q2495-V2497 HydrophobicContact CG-CG2 4.32Å; V2497-D2499 VanDerWaalsContact C-N 3.33Å; V2497-F2525 VanDerWaalsContact CG1-C 3.46Å; V2497-F2525 HydrophobicContact CG1-CB 4.42Å; V2497-F2525 WeakPolarHBondContact CG1-O 3.27Å; V2497-F2525 WeakPolarHBondContact CG2-O 3.48Å |
| 2498 | R | 74.2 | Confident | 86 | Confident | 198.2 Ų | 198.2 | 52.9 Ų | 52.9 | 75% | 0.748 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 17.3 | -179.3 | -44.8 | -178.6 | 178.4 | 179.8 | -2.5 | 115.9 | F2467 P2500 | F2467-R2498 WeakPolarHBondContact CZ-O 3.37Å; R2498-P2500 VanDerWaalsContact O-CD 3.27Å; R2498-P2500 WeakPolarHBondContact O-CD 3.33Å |
| 2499 | D | 80.1 | Confident | 86.1 | Confident | 13.4 Ų | 13.4 | 57.5 Ų | 57.5 | 7% | 0.072 | 29% | 0.288 | C | S | . | . | trans | -69.6 | 115.5 | 167.7 | 180 | -10.5 | 0 | 0 | 0 | 109.7 | F2467 P2496 V2497 S2501 M2502 N2549 | F2467-D2499 HydrophobicContact CB-CB 4.22Å; F2467-D2499 WeakPolarHBondContact CB-OD2 3.28Å; F2467-D2499 HydrophobicContact CD1-CB 3.94Å; F2467-D2499 HydrophobicContact CD2-CB 4.23Å; F2467-D2499 HydrophobicContact CE1-CB 4.29Å; F2467-D2499 HydrophobicContact CG-CB 3.87Å; P2496-D2499 HydrophobicContact CG-CB 4.13Å; V2497-D2499 VanDerWaalsContact C-N 3.33Å; D2499-S2501 PolarHBondContact O-N 2.97Å; D2499-S2501 WeakPolarHBondContact OD1-CA 3.21Å; D2499-S2501 WeakPolarHBondContact OD1-CB 3.32Å; D2499-S2501 PolarHBondContact OD1-N 3.21Å; D2499-S2501 PolarHBondContact OD1-OG 3.04Å; D2499-S2501 PolarHBondContact OD2-OG 3.11Å; D2499-M2502 HydrophobicContact CB-CB 4.2Å; D2499-M2502 HydrophobicContact CB-CE 4.15Å; D2499-M2502 VanDerWaalsContact O-CB 3.27Å; D2499-M2502 WeakPolarHBondContact O-CB 3.31Å; D2499-M2502 PolarHBondContact O-N 3.09Å; D2499-M2502 VanDerWaalsContact O-N 3.17Å; D2499-N2549 VanDerWaalsContact OD2-CB 3.25Å; D2499-N2549 WeakPolarHBondContact OD2-CB 3.3Å; D2499-N2549 PolarHBondContact OD2-ND2 3.02Å | ||
| 2500 | P | 73.3 | Confident | 85.7 | Confident | 117.4 Ų | 117.4 | 57.6 Ų | 57.6 | 76% | 0.762 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -14.1 | -178.5 | 10.9 | -8.6 | 0 | 0 | 0 | 113.7 | R2498 M2502 | R2498-P2500 VanDerWaalsContact O-CD 3.27Å; R2498-P2500 WeakPolarHBondContact O-CD 3.33Å; P2500-M2502 VanDerWaalsContact C-N 3.35Å |
| 2501 | S | 77.5 | Confident | 85.2 | Confident | 47 Ų | 47 | 65 Ų | 65 | 33% | 0.329 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -1.2 | 176.1 | 72.2 | 0 | 0 | 0 | 0 | 113.6 | D2499 V2503 N2549 A2550 | D2499-S2501 PolarHBondContact O-N 2.97Å; D2499-S2501 WeakPolarHBondContact OD1-CA 3.21Å; D2499-S2501 WeakPolarHBondContact OD1-CB 3.32Å; D2499-S2501 PolarHBondContact OD1-N 3.21Å; D2499-S2501 PolarHBondContact OD1-OG 3.04Å; D2499-S2501 PolarHBondContact OD2-OG 3.11Å; S2501-V2503 PolarHBondContact O-N 3.15Å; S2501-N2549 WeakPolarHBondContact OG-CB 3.43Å; S2501-A2550 PolarHBondContact OG-N 2.89Å; S2501-A2550 VanDerWaalsContact OG-N 3.13Å |
| 2502 | M | 85.6 | Confident | 84.9 | Confident | 28.8 Ų | 28.8 | 66.2 Ų | 66.2 | 14% | 0.142 | 32% | 0.324 | C | S | . | . | trans | -75.2 | 120.2 | -176.1 | -168.5 | 84.4 | 56.6 | 0 | 0 | 112.2 | P2470 L2494 P2496 D2499 P2500 I2504 A2547 V2548 N2549 | P2470-M2502 HydrophobicContact CB-CE 3.96Å; P2470-M2502 HydrophobicContact CB-SD 3.9Å; P2470-M2502 HydrophobicContact CG-CE 3.99Å; P2470-M2502 HydrophobicContact CG-SD 3.77Å; L2494-M2502 HydrophobicContact CD1-CE 4.05Å; L2494-M2502 HydrophobicContact CD1-SD 4.1Å; L2494-M2502 HydrophobicContact CD2-CE 4.09Å; L2494-M2502 HydrophobicContact CD2-CG 3.8Å; L2494-M2502 HydrophobicContact CD2-SD 3.72Å; L2494-M2502 HydrophobicContact CG-CE 4.35Å; L2494-M2502 HydrophobicContact CG-SD 4.35Å; P2496-M2502 HydrophobicContact CG-CE 4.27Å; P2496-M2502 VanDerWaalsContact O-CE 3.29Å; P2496-M2502 WeakPolarHBondContact O-CE 2.85Å; D2499-M2502 HydrophobicContact CB-CB 4.2Å; D2499-M2502 HydrophobicContact CB-CE 4.15Å; D2499-M2502 VanDerWaalsContact O-CB 3.27Å; D2499-M2502 WeakPolarHBondContact O-CB 3.31Å; D2499-M2502 PolarHBondContact O-N 3.09Å; D2499-M2502 VanDerWaalsContact O-N 3.17Å; P2500-M2502 VanDerWaalsContact C-N 3.35Å; M2502-I2504 HydrophobicContact CG-CD1 4.47Å; M2502-I2504 HydrophobicContact CG-CG1 4.43Å; M2502-A2547 HydrophobicContact SD-CB 4.21Å; M2502-V2548 CarbonylContact C-O 3.49Å; M2502-V2548 WeakPolarHBondContact CA-O 3.25Å; M2502-N2549 HydrophobicContact CB-CB 4.49Å; M2502-N2549 HydrophobicContact CE-CB 4.16Å; M2502-N2549 HydrophobicContact SD-CB 4.14Å | ||
| 2503 | V | 86.2 | Confident | 84.6 | Confident | 80 Ų | 80 | 67.1 Ų | 67.1 | 49% | 0.485 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 135.2 | 174.8 | -179.4 | 0 | 0 | 0 | 0 | 109 | S2501 E2505 A2547 V2548 | S2501-V2503 PolarHBondContact O-N 3.15Å; V2503-E2505 HydrophobicContact CG1-CG 4.46Å; V2503-A2547 CarbonylContact O-C 3.54Å; V2503-A2547 WeakPolarHBondContact O-CA 3.33Å; V2503-V2548 PolarHBondContact N-O 2.96Å; V2503-V2548 PolarHBondContact O-N 2.94Å |
| 2504 | I | 89.2 | Confident | 83.6 | Confident | 26 Ų | 26 | 68.5 Ų | 68.5 | 13% | 0.133 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.3 | -179.8 | -57 | 174.8 | 0 | 0 | 0 | 110 | L2494 M2502 Q2523 V2528 R2546 A2547 | L2494-I2504 HydrophobicContact CD1-CD1 3.86Å; L2494-I2504 HydrophobicContact CD1-CG1 3.89Å; L2494-I2504 HydrophobicContact CD2-CD1 3.87Å; L2494-I2504 HydrophobicContact CD2-CG1 4.33Å; M2502-I2504 HydrophobicContact CG-CD1 4.47Å; M2502-I2504 HydrophobicContact CG-CG1 4.43Å; I2504-Q2523 HydrophobicContact CD1-CB 4.46Å; I2504-Q2523 VanDerWaalsContact CD1-CD 3.49Å; I2504-Q2523 HydrophobicContact CD1-CG 3.87Å; I2504-V2528 HydrophobicContact CD1-CB 4.23Å; I2504-V2528 HydrophobicContact CD1-CG1 3.8Å; I2504-V2528 HydrophobicContact CD1-CG2 3.41Å; I2504-V2528 VanDerWaalsContact CD1-CG2 3.46Å; I2504-V2528 HydrophobicContact CG1-CG2 4.33Å; I2504-V2528 HydrophobicContact CG2-CB 4.49Å; I2504-V2528 HydrophobicContact CG2-CG1 3.65Å; I2504-V2528 HydrophobicContact CG2-CG2 4.28Å; I2504-R2546 CarbonylContact C-O 3.55Å; I2504-R2546 WeakPolarHBondContact CA-O 3.24Å; I2504-A2547 HydrophobicContact CG1-CB 4.23Å |
| 2505 | E | 89.7 | Confident | 82.6 | Confident | 49.2 Ų | 49.2 | 75 Ų | 75 | 23% | 0.23 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 139.5 | 179.6 | -66.4 | 178.5 | 168.9 | 0 | 0 | 110.7 | V2503 W2507 L2512 C2545 R2546 | V2503-E2505 HydrophobicContact CG1-CG 4.46Å; E2505-W2507 PolarHBondContact OE2-NE1 2.93Å; E2505-W2507 VanDerWaalsContact OE2-NE1 3.1Å; E2505-L2512 HydrophobicContact CB-CD1 3.85Å; E2505-L2512 HydrophobicContact CG-CD1 4.15Å; E2505-C2545 WeakPolarHBondContact O-CA 3.24Å; E2505-R2546 HydrophobicContact CB-CB 4.3Å; E2505-R2546 VanDerWaalsContact CD-NH1 3.26Å; E2505-R2546 PolarHBondContact N-O 3.03Å; E2505-R2546 PolarHBondContact O-N 3.12Å; E2505-R2546 IonicContact OE1-NH1 3.2Å; E2505-R2546 PolarHBondContact OE1-NH1 2.88Å; E2505-R2546 IonicContact OE1-NH2 3.54Å; E2505-R2546 WeakPolarHBondContact OE2-CD 3.34Å; E2505-R2546 IonicContact OE2-CZ 3.01Å; E2505-R2546 VanDerWaalsContact OE2-CZ 3.23Å; E2505-R2546 IonicContact OE2-NE 3.02Å; E2505-R2546 PolarHBondContact OE2-NE 3.37Å; E2505-R2546 IonicContact OE2-NH1 3.02Å; E2505-R2546 PolarHBondContact OE2-NH1 2.97Å; E2505-R2546 VanDerWaalsContact OE2-NH1 3.15Å; E2505-R2546 IonicContact OE2-NH2 2.68Å; E2505-R2546 PolarHBondContact OE2-NH2 3.46Å |
| 2506 | W | 91.4 | Very high | 81.8 | Confident | 7.8 Ų | 7.8 | 72.1 Ų | 72.1 | 3% | 0.03 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 131.9 | 172.8 | -74.7 | 91.6 | 0 | 0 | 0 | 110.4 | L2476 L2490 L2512 I2513 T2521 V2528 L2530 T2544 C2545 | L2476-W2506 HydrophobicContact CD1-CH2 4.24Å; L2476-W2506 HydrophobicContact CD1-CZ3 3.92Å; L2476-W2506 HydrophobicContact CD2-CH2 3.73Å; L2476-W2506 HydrophobicContact CD2-CZ3 4.19Å; L2490-W2506 HydrophobicContact CB-CH2 3.83Å; L2490-W2506 HydrophobicContact CB-CZ3 3.96Å; L2490-W2506 HydrophobicContact CD1-CZ3 4.19Å; L2490-W2506 VanDerWaalsContact O-CH2 3.27Å; L2490-W2506 WeakPolarHBondContact O-CH2 3.35Å; W2506-L2512 WeakPolarHBondContact O-CD1 3.32Å; W2506-I2513 HydrophobicContact CB-CB 4.33Å; W2506-I2513 HydrophobicContact CB-CD1 4.09Å; W2506-I2513 HydrophobicContact CB-CG1 4.46Å; W2506-I2513 PolarHBondContact O-N 2.97Å; W2506-T2521 HydrophobicContact CG-CG2 4.27Å; W2506-V2528 HydrophobicContact CZ2-CG1 3.92Å; W2506-L2530 HydrophobicContact CB-CD1 4.2Å; W2506-L2530 HydrophobicContact CB-CD2 4.47Å; W2506-L2530 HydrophobicContact CD2-CB 3.73Å; W2506-L2530 HydrophobicContact CD2-CD1 4.27Å; W2506-L2530 HydrophobicContact CD2-CD2 4.1Å; W2506-L2530 HydrophobicContact CD2-CG 4.26Å; W2506-L2530 HydrophobicContact CE3-CB 3.82Å; W2506-L2530 HydrophobicContact CE3-CD1 4.37Å; W2506-L2530 HydrophobicContact CE3-CD2 3.71Å; W2506-L2530 VanDerWaalsContact CE3-CD2 3.5Å; W2506-L2530 HydrophobicContact CE3-CG 4.28Å; W2506-L2530 HydrophobicContact CG-CB 4.36Å; W2506-L2530 HydrophobicContact CG-CD1 4.11Å; W2506-L2530 HydrophobicContact CG-CD2 4.42Å; W2506-L2530 HydrophobicContact CH2-CB 3.69Å; W2506-L2530 HydrophobicContact CZ2-CB 3.65Å; W2506-L2530 HydrophobicContact CZ3-CB 3.79Å; W2506-L2530 HydrophobicContact CZ3-CD2 4.11Å; W2506-L2530 HydrophobicContact CZ3-CG 4.45Å; W2506-T2544 WeakPolarHBondContact CA-O 3.45Å; W2506-C2545 HydrophobicContact CD2-CB 4.09Å; W2506-C2545 HydrophobicContact CE3-CB 3.89Å; W2506-C2545 HydrophobicContact CH2-CB 3.95Å; W2506-C2545 HydrophobicContact CZ2-CB 4.09Å; W2506-C2545 HydrophobicContact CZ3-CB 3.83Å |
| 2507 | W | 90.8 | Very high | 80.7 | Confident | 74 Ų | 74 | 75.7 Ų | 75.7 | 28% | 0.28 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 145.2 | -177.3 | -66.1 | 62.7 | 0 | 0 | 0 | 109.8 | E2505 N2510 R2511 L2512 Y2543 T2544 | E2505-W2507 PolarHBondContact OE2-NE1 2.93Å; E2505-W2507 VanDerWaalsContact OE2-NE1 3.1Å; W2507-N2510 VanDerWaalsContact CE3-C 3.47Å; W2507-N2510 VanDerWaalsContact CZ3-O 3.29Å; W2507-N2510 WeakPolarHBondContact CZ3-O 3.37Å; W2507-R2511 CarbonylContact C-O 3.48Å; W2507-R2511 WeakPolarHBondContact CA-O 3.38Å; W2507-L2512 HydrophobicContact CD2-CD1 4.34Å; W2507-L2512 HydrophobicContact CG-CD1 4.33Å; W2507-L2512 HydrophobicContact CZ2-CD1 4.34Å; W2507-Y2543 CarbonylContact O-C 3.56Å; W2507-Y2543 VanDerWaalsContact O-CA 3.26Å; W2507-Y2543 WeakPolarHBondContact O-CA 3.43Å; W2507-T2544 HydrophobicContact CB-CG2 4.36Å; W2507-T2544 PolarHBondContact N-O 3Å; W2507-T2544 PolarHBondContact O-N 2.94Å |
| 2508 | H | 89.4 | Confident | 80.9 | Confident | 39.2 Ų | 39.2 | 76.3 Ų | 76.3 | 18% | 0.181 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 124.6 | 173.2 | 170.2 | -120.4 | 0 | 0 | 0 | 108.4 | N2510 R2511 I2513 E2538 S2540 E2542 Y2543 | H2508-N2510 VanDerWaalsContact C-N 3.27Å; H2508-N2510 PolarHBondContact O-N 2.93Å; H2508-N2510 VanDerWaalsContact O-N 3.09Å; H2508-R2511 PolarHBondContact N-O 2.96Å; H2508-R2511 WeakPolarHBondContact O-CB 3.28Å; H2508-R2511 PolarHBondContact O-N 3.04Å; H2508-I2513 HydrophobicContact CB-CD1 3.74Å; H2508-I2513 HydrophobicContact CB-CG1 3.72Å; H2508-E2538 PolarHBondContact CE1-O 3Å; H2508-E2538 VanDerWaalsContact CE1-O 3.23Å; H2508-E2538 PolarHBondContact NE2-O 2.79Å; H2508-S2540 PolarHBondContact NE2-O 3.06Å; H2508-E2542 CarbonylContact C-O 3.55Å; H2508-E2542 WeakPolarHBondContact CA-O 3.28Å; H2508-Y2543 HydrophobicContact CB-CD1 4.2Å; H2508-Y2543 HydrophobicContact CB-CE1 3.97Å; H2508-Y2543 HydrophobicContact CB-CE2 4.32Å; H2508-Y2543 AromaticContact CD2-CD2 3.77Å; H2508-Y2543 AromaticContact CD2-CE1 3.92Å; H2508-Y2543 AromaticContact CD2-CE2 3.26Å; H2508-Y2543 VanDerWaalsContact CD2-CE2 3.43Å; H2508-Y2543 WeakPolarHBondContact CD2-CE2 3.34Å; H2508-Y2543 AromaticContact CD2-CZ 3.45Å; H2508-Y2543 VanDerWaalsContact CD2-CZ 3.45Å; H2508-Y2543 AromaticContact CG-CE2 3.84Å; H2508-Y2543 AromaticContact CG-CZ 3.86Å; H2508-Y2543 AromaticContact NE2-CE2 3.82Å; H2508-Y2543 AromaticContact NE2-CZ 3.96Å |
| 2509 | E | 86.2 | Confident | 81.4 | Confident | 100 Ų | 100 | 67.6 Ų | 67.6 | 47% | 0.467 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 44.6 | -177.8 | -68.4 | -64.3 | 147.8 | 0 | 0 | 113.2 | R2511 G2541 E2542 | E2509-R2511 VanDerWaalsContact C-N 3.27Å; E2509-R2511 PolarHBondContact O-N 2.93Å; E2509-G2541 VanDerWaalsContact OE1-CA 3.24Å; E2509-G2541 WeakPolarHBondContact OE1-CA 3.32Å; E2509-E2542 PolarHBondContact N-O 2.96Å; E2509-E2542 PolarHBondContact OE1-N 3.12Å |
| 2510 | N | 81.5 | Confident | 81.4 | Confident | 112.2 Ų | 112.2 | 69.4 Ų | 69.4 | 60% | 0.6 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 23.5 | -176.2 | -55.4 | -50.5 | 0 | 0 | 0 | 115.4 | W2507 H2508 | W2507-N2510 VanDerWaalsContact CE3-C 3.47Å; W2507-N2510 VanDerWaalsContact CZ3-O 3.29Å; W2507-N2510 WeakPolarHBondContact CZ3-O 3.37Å; H2508-N2510 VanDerWaalsContact C-N 3.27Å; H2508-N2510 PolarHBondContact O-N 2.93Å; H2508-N2510 VanDerWaalsContact O-N 3.09Å |
| 2511 | R | 81.2 | Confident | 82 | Confident | 158.8 Ų | 158.8 | 65.9 Ų | 65.9 | 60% | 0.599 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 139.5 | 169.8 | -61.5 | -179.1 | 178.9 | -170.1 | -1.9 | 110.6 | W2507 H2508 E2509 I2513 E3562 | W2507-R2511 CarbonylContact C-O 3.48Å; W2507-R2511 WeakPolarHBondContact CA-O 3.38Å; H2508-R2511 PolarHBondContact N-O 2.96Å; H2508-R2511 WeakPolarHBondContact O-CB 3.28Å; H2508-R2511 PolarHBondContact O-N 3.04Å; E2509-R2511 VanDerWaalsContact C-N 3.27Å; E2509-R2511 PolarHBondContact O-N 2.93Å; R2511-I2513 PolarHBondContact O-N 2.98Å; R2511-E3562 IonicContact NH1-OE2 3.76Å; R2511-E3562 PolarHBondContact NH1-OE2 2.69Å |
| 2512 | L | 83.4 | Confident | 82.4 | Confident | 85.4 Ų | 85.4 | 69.4 Ų | 69.4 | 45% | 0.447 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 132.3 | 174.6 | -167.6 | 75.6 | 0 | 0 | 0 | 109.9 | G2430 V2431 E2505 W2506 W2507 P2514 | G2430-L2512 VanDerWaalsContact O-CD2 3.24Å; G2430-L2512 WeakPolarHBondContact O-CD2 3.45Å; V2431-L2512 HydrophobicContact CB-CD2 4.11Å; V2431-L2512 HydrophobicContact CG2-CB 4.41Å; V2431-L2512 HydrophobicContact CG2-CD2 3.14Å; V2431-L2512 HydrophobicContact CG2-CG 3.85Å; E2505-L2512 HydrophobicContact CB-CD1 3.85Å; E2505-L2512 HydrophobicContact CG-CD1 4.15Å; W2506-L2512 WeakPolarHBondContact O-CD1 3.32Å; W2507-L2512 HydrophobicContact CD2-CD1 4.34Å; W2507-L2512 HydrophobicContact CG-CD1 4.33Å; W2507-L2512 HydrophobicContact CZ2-CD1 4.34Å; L2512-P2514 VanDerWaalsContact O-CD 3.29Å; L2512-P2514 WeakPolarHBondContact O-CD 3.33Å |
| 2513 | I | 84.3 | Confident | 82.1 | Confident | 19 Ų | 19 | 73.1 Ų | 73.1 | 10% | 0.097 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 119.3 | -177.4 | -59.6 | 175.3 | 0 | 0 | 0 | 109.7 | W2506 H2508 R2511 Y2515 I2519 L2530 Y2543 | W2506-I2513 HydrophobicContact CB-CB 4.33Å; W2506-I2513 HydrophobicContact CB-CD1 4.09Å; W2506-I2513 HydrophobicContact CB-CG1 4.46Å; W2506-I2513 PolarHBondContact O-N 2.97Å; H2508-I2513 HydrophobicContact CB-CD1 3.74Å; H2508-I2513 HydrophobicContact CB-CG1 3.72Å; R2511-I2513 PolarHBondContact O-N 2.98Å; I2513-Y2515 PolarHBondContact O-N 3.09Å; I2513-I2519 HydrophobicContact CG2-CD1 4.16Å; I2513-I2519 HydrophobicContact CG2-CG2 3.83Å; I2513-L2530 HydrophobicContact CD1-CD2 3.85Å; I2513-Y2543 HydrophobicContact CD1-CD1 3.62Å; I2513-Y2543 HydrophobicContact CD1-CE1 3.54Å; I2513-Y2543 VanDerWaalsContact CD1-CE1 3.43Å |
| 2514 | P | 70.1 | Confident | 81.6 | Confident | 92.2 Ų | 92.2 | 75.4 Ų | 75.4 | 60% | 0.599 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 133.7 | 173 | 29.3 | -32.2 | 0 | 0 | 0 | 111.1 | Y2433 L2512 S2516 | Y2433-P2514 HydrophobicContact CD1-CB 4.41Å; Y2433-P2514 HydrophobicContact CE1-CB 3.31Å; Y2433-P2514 HydrophobicContact CE1-CG 4.34Å; Y2433-P2514 HydrophobicContact CE2-CB 4.32Å; Y2433-P2514 VanDerWaalsContact OH-CA 3.26Å; Y2433-P2514 WeakPolarHBondContact OH-CA 3.36Å; Y2433-P2514 WeakPolarHBondContact OH-CB 3.27Å; L2512-P2514 VanDerWaalsContact O-CD 3.29Å; L2512-P2514 WeakPolarHBondContact O-CD 3.33Å; P2514-S2516 PolarHBondContact O-N 3.28Å |
| 2515 | Y | 70.2 | Confident | 81.2 | Confident | 141.8 Ų | 141.8 | 81.2 Ų | 81.2 | 56% | 0.556 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 137.3 | 173.9 | -77.8 | -79.3 | 0 | 0 | 0 | 111.2 | Y2433 I2513 I2519 Q2520 T2521 L2530 | Y2433-Y2515 PolarHBondContact OH-N 2.89Å; Y2433-Y2515 VanDerWaalsContact OH-N 3.15Å; Y2433-Y2515 PolarHBondContact OH-O 3.12Å; I2513-Y2515 PolarHBondContact O-N 3.09Å; Y2515-I2519 WeakPolarHBondContact CA-O 3.47Å; Y2515-Q2520 HydrophobicContact CE2-CG 4.38Å; Y2515-T2521 HydrophobicContact CD1-CG2 3.78Å; Y2515-T2521 HydrophobicContact CD2-CG2 4.18Å; Y2515-T2521 HydrophobicContact CE1-CG2 3.88Å; Y2515-T2521 WeakPolarHBondContact CE1-OG1 3.4Å; Y2515-T2521 HydrophobicContact CE2-CG2 3.91Å; Y2515-T2521 HydrophobicContact CG-CG2 4.13Å; Y2515-T2521 VanDerWaalsContact CZ-CG2 3.49Å; Y2515-T2521 PolarHBondContact OH-OG1 3.08Å; Y2515-L2530 HydrophobicContact CE1-CD1 4.14Å |
| 2516 | S | 69.1 | Low | 80.7 | Confident | 49 Ų | 49 | 79.4 Ų | 79.4 | 34% | 0.343 | 38% | 0.384 | S | S | . | . | trans | -147.1 | 178.6 | 177.4 | 66.4 | 0 | 0 | 0 | 0 | 111.2 | P2514 R2518 I2519 Q2520 S2896 | P2514-S2516 PolarHBondContact O-N 3.28Å; S2516-R2518 PolarHBondContact O-N 3.05Å; S2516-R2518 PolarHBondContact OG-N 3.14Å; S2516-I2519 PolarHBondContact N-O 2.97Å; S2516-I2519 VanDerWaalsContact N-O 3.16Å; S2516-I2519 CarbonylContact O-C 3.5Å; S2516-I2519 VanDerWaalsContact O-C 3.28Å; S2516-I2519 PolarHBondContact O-N 3.01Å; S2516-I2519 VanDerWaalsContact O-N 3.16Å; S2516-I2519 VanDerWaalsContact O-O 3.05Å; S2516-I2519 PolarHBondContact OG-N 3.02Å; S2516-Q2520 WeakPolarHBondContact O-CG 3.41Å; S2516-S2896 VanDerWaalsContact C-OG 3.32Å | ||
| 2517 | S | 62.7 | Low | 80.5 | Confident | 96 Ų | 96 | 83.2 Ų | 83.2 | 67% | 0.671 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -63.3 | -29.2 | 170.9 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | Q2520 Q2533 S2896 | S2517-Q2520 PolarHBondContact O-NE2 3.04Å; S2517-Q2533 PolarHBondContact O-OE1 2.88Å; S2517-S2896 PolarHBondContact N-OG 2.88Å |
| 2518 | R | 83.1 | Confident | 80.5 | Confident | 66 Ų | 66 | 79.8 Ų | 79.8 | 25% | 0.249 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -79.8 | -38.3 | 178.7 | -167 | 177 | 71.9 | 84.8 | -7 | 112.5 | S2516 I2532 Q2533 Y2534 D2539 | S2516-R2518 PolarHBondContact O-N 3.05Å; S2516-R2518 PolarHBondContact OG-N 3.14Å; R2518-I2532 VanDerWaalsContact NH1-CG2 3.32Å; R2518-Q2533 WeakPolarHBondContact CD-O 3.34Å; R2518-Q2533 HydrophobicContact CG-CB 4.4Å; R2518-Q2533 WeakPolarHBondContact CG-O 3.36Å; R2518-Q2533 WeakPolarHBondContact O-CB 3.33Å; R2518-Q2533 WeakPolarHBondContact O-CG 3.35Å; R2518-Q2533 PolarHBondContact O-N 2.9Å; R2518-Y2534 HydrophobicContact CB-CE1 4.28Å; R2518-Y2534 WeakPolarHBondContact CD-OH 3.29Å; R2518-Y2534 HydrophobicContact CG-CD1 4.16Å; R2518-Y2534 HydrophobicContact CG-CD2 4.41Å; R2518-Y2534 HydrophobicContact CG-CE1 3.71Å; R2518-Y2534 HydrophobicContact CG-CE2 4Å; R2518-Y2534 HydrophobicContact CG-CG 4.49Å; R2518-Y2534 PolarHBondContact NH1-O 3.14Å; R2518-D2539 IonicContact CZ-OD1 3.09Å; R2518-D2539 IonicContact CZ-OD2 3.25Å; R2518-D2539 VanDerWaalsContact NH1-CG 3.33Å; R2518-D2539 IonicContact NH1-OD1 3.5Å; R2518-D2539 PolarHBondContact NH1-OD1 3.06Å; R2518-D2539 IonicContact NH1-OD2 3.23Å; R2518-D2539 PolarHBondContact NH1-OD2 3.03Å; R2518-D2539 IonicContact NH2-OD1 3.37Å; R2518-D2539 PolarHBondContact NH2-OD1 3.22Å; R2518-D2539 IonicContact NH2-OD2 3.42Å; R2518-D2539 PolarHBondContact NH2-OD2 2.74Å |
| 2519 | I | 83.5 | Confident | 80.5 | Confident | 15.4 Ų | 15.4 | 79 Ų | 79 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 112.1 | -176.5 | -55 | 176.1 | 0 | 0 | 0 | 109.9 | I2513 Y2515 S2516 L2530 V2531 I2532 | I2513-I2519 HydrophobicContact CG2-CD1 4.16Å; I2513-I2519 HydrophobicContact CG2-CG2 3.83Å; Y2515-I2519 WeakPolarHBondContact CA-O 3.47Å; S2516-I2519 PolarHBondContact N-O 2.97Å; S2516-I2519 VanDerWaalsContact N-O 3.16Å; S2516-I2519 CarbonylContact O-C 3.5Å; S2516-I2519 VanDerWaalsContact O-C 3.28Å; S2516-I2519 PolarHBondContact O-N 3.01Å; S2516-I2519 VanDerWaalsContact O-N 3.16Å; S2516-I2519 VanDerWaalsContact O-O 3.05Å; S2516-I2519 PolarHBondContact OG-N 3.02Å; I2519-L2530 HydrophobicContact CG2-CD1 3.56Å; I2519-L2530 VanDerWaalsContact CG2-CD1 3.45Å; I2519-L2530 HydrophobicContact CG2-CD2 4.39Å; I2519-L2530 HydrophobicContact CG2-CG 4.23Å; I2519-V2531 CarbonylContact C-O 3.53Å; I2519-V2531 VanDerWaalsContact CA-O 3.32Å; I2519-V2531 WeakPolarHBondContact CA-O 3.38Å; I2519-I2532 HydrophobicContact CG1-CG1 4.4Å; I2519-I2532 HydrophobicContact CG1-CG2 4.37Å; I2519-I2532 HydrophobicContact CG2-CG1 4.4Å |
| 2520 | Q | 81.2 | Confident | 80.8 | Confident | 53.2 Ų | 53.2 | 74.2 Ų | 74.2 | 25% | 0.249 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 150.9 | -174.6 | -61.9 | 177.9 | -10.2 | 0 | 0 | 111 | Y2515 S2516 S2517 Y2522 L2530 V2531 | Y2515-Q2520 HydrophobicContact CE2-CG 4.38Å; S2516-Q2520 WeakPolarHBondContact O-CG 3.41Å; S2517-Q2520 PolarHBondContact O-NE2 3.04Å; Q2520-Y2522 HydrophobicContact CB-CE2 3.99Å; Q2520-Y2522 PolarHBondContact OE1-OH 2.94Å; Q2520-L2530 CarbonylContact O-C 3.4Å; Q2520-L2530 WeakPolarHBondContact O-CA 3.38Å; Q2520-V2531 HydrophobicContact CB-CB 4.46Å; Q2520-V2531 PolarHBondContact N-O 3.15Å; Q2520-V2531 PolarHBondContact O-N 3.19Å |
| 2521 | T | 86.4 | Confident | 81.2 | Confident | 43.4 Ų | 43.4 | 69.3 Ų | 69.3 | 27% | 0.266 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 144.1 | 175.6 | 103.4 | 0 | 0 | 0 | 0 | 111.4 | W2506 Y2515 T2529 L2530 | W2506-T2521 HydrophobicContact CG-CG2 4.27Å; Y2515-T2521 HydrophobicContact CD1-CG2 3.78Å; Y2515-T2521 HydrophobicContact CD2-CG2 4.18Å; Y2515-T2521 HydrophobicContact CE1-CG2 3.88Å; Y2515-T2521 WeakPolarHBondContact CE1-OG1 3.4Å; Y2515-T2521 HydrophobicContact CE2-CG2 3.91Å; Y2515-T2521 HydrophobicContact CG-CG2 4.13Å; Y2515-T2521 VanDerWaalsContact CZ-CG2 3.49Å; Y2515-T2521 PolarHBondContact OH-OG1 3.08Å; T2521-T2529 CarbonylContact C-O 3.57Å; T2521-T2529 VanDerWaalsContact CA-O 3.25Å; T2521-T2529 WeakPolarHBondContact CA-O 3.31Å; T2521-L2530 HydrophobicContact CG2-CD1 3.52Å; T2521-L2530 VanDerWaalsContact CG2-CD1 3.45Å |
| 2522 | Y | 84.9 | Confident | 81.5 | Confident | 119 Ų | 119 | 61.8 Ų | 61.8 | 47% | 0.467 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 140.1 | 179 | -57.5 | -86.6 | 0 | 0 | 0 | 110.6 | Q2520 V2528 T2529 V2531 | Q2520-Y2522 HydrophobicContact CB-CE2 3.99Å; Q2520-Y2522 PolarHBondContact OE1-OH 2.94Å; Y2522-V2528 CarbonylContact O-C 3.56Å; Y2522-V2528 WeakPolarHBondContact O-CA 3.28Å; Y2522-T2529 PolarHBondContact N-O 3.08Å; Y2522-T2529 PolarHBondContact O-N 3Å; Y2522-V2531 HydrophobicContact CD2-CG2 4.01Å; Y2522-V2531 HydrophobicContact CE2-CB 4.39Å; Y2522-V2531 HydrophobicContact CE2-CG2 3.76Å |
| 2523 | Q | 80 | Confident | 81.2 | Confident | 107.4 Ų | 107.4 | 60.7 Ų | 60.7 | 50% | 0.502 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 108.4 | 178.9 | -138.9 | -179 | -0.3 | 0 | 0 | 110 | I2504 H2527 V2528 | I2504-Q2523 HydrophobicContact CD1-CB 4.46Å; I2504-Q2523 VanDerWaalsContact CD1-CD 3.49Å; I2504-Q2523 HydrophobicContact CD1-CG 3.87Å; Q2523-H2527 CarbonylContact C-O 3.5Å; Q2523-H2527 VanDerWaalsContact CA-O 3.3Å; Q2523-H2527 WeakPolarHBondContact CA-O 3.33Å; Q2523-V2528 HydrophobicContact CG-CG1 4.31Å; Q2523-V2528 HydrophobicContact CG-CG2 4.41Å |
| 2524 | E | 76.3 | Confident | 80.7 | Confident | 128.6 Ų | 128.6 | 64.9 Ų | 64.9 | 60% | 0.601 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 126.5 | 179.8 | -99.5 | -172.5 | 172.7 | 0 | 0 | 111.1 | G2526 H2527 | E2524-G2526 PolarHBondContact O-N 3.13Å; E2524-G2526 VanDerWaalsContact O-N 3.07Å; E2524-H2527 PolarHBondContact N-O 2.93Å; E2524-H2527 WeakPolarHBondContact O-CA 3.22Å; E2524-H2527 VanDerWaalsContact O-CB 3.29Å; E2524-H2527 WeakPolarHBondContact O-CB 3.36Å; E2524-H2527 PolarHBondContact O-N 2.83Å |
| 2525 | F | 80.2 | Confident | 81.1 | Confident | 147.2 Ų | 147.2 | 60.7 Ų | 60.7 | 65% | 0.646 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 33.8 | 176.5 | -56.6 | -74.5 | 0 | 0 | 0 | 115.5 | V2497 H2527 | V2497-F2525 VanDerWaalsContact CG1-C 3.46Å; V2497-F2525 HydrophobicContact CG1-CB 4.42Å; V2497-F2525 WeakPolarHBondContact CG1-O 3.27Å; V2497-F2525 WeakPolarHBondContact CG2-O 3.48Å; F2525-H2527 VanDerWaalsContact C-N 3.3Å; F2525-H2527 PolarHBondContact O-N 2.79Å |
| 2526 | G | 79.5 | Confident | 81.4 | Confident | 12.4 Ų | 12.4 | 56.2 Ų | 56.2 | 13% | 0.128 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -8.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q2493 L2494 E2524 | Q2493-G2526 CarbonylContact C-O 3.52Å; Q2493-G2526 VanDerWaalsContact CA-O 3.29Å; Q2493-G2526 WeakPolarHBondContact CA-O 3.34Å; L2494-G2526 WeakPolarHBondContact CB-O 3.36Å; L2494-G2526 PolarHBondContact N-O 3.12Å; L2494-G2526 WeakPolarHBondContact O-CA 3.22Å; E2524-G2526 PolarHBondContact O-N 3.13Å; E2524-G2526 VanDerWaalsContact O-N 3.07Å |
| 2527 | H | 87.3 | Confident | 81.5 | Confident | 87.4 Ų | 87.4 | 57.5 Ų | 57.5 | 41% | 0.405 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 130.6 | 167.7 | -69.8 | -94.5 | 0 | 0 | 0 | 110 | C2492 Q2493 Q2523 E2524 F2525 | C2492-H2527 WeakPolarHBondContact O-CA 3.27Å; Q2493-H2527 VanDerWaalsContact CD-CE1 3.49Å; Q2493-H2527 PolarHBondContact NE2-CE1 3.14Å; Q2493-H2527 VanDerWaalsContact NE2-CE1 3.32Å; Q2493-H2527 PolarHBondContact NE2-NE2 3.32Å; Q2523-H2527 CarbonylContact C-O 3.5Å; Q2523-H2527 VanDerWaalsContact CA-O 3.3Å; Q2523-H2527 WeakPolarHBondContact CA-O 3.33Å; E2524-H2527 PolarHBondContact N-O 2.93Å; E2524-H2527 WeakPolarHBondContact O-CA 3.22Å; E2524-H2527 VanDerWaalsContact O-CB 3.29Å; E2524-H2527 WeakPolarHBondContact O-CB 3.36Å; E2524-H2527 PolarHBondContact O-N 2.83Å; F2525-H2527 VanDerWaalsContact C-N 3.3Å; F2525-H2527 PolarHBondContact O-N 2.79Å |
| 2528 | V | 89.4 | Confident | 82.2 | Confident | 1.4 Ų | 1.4 | 58.5 Ų | 58.5 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 122.4 | -179.6 | -174.3 | 0 | 0 | 0 | 0 | 107.7 | T2491 C2492 L2494 I2504 W2506 Y2522 Q2523 | T2491-V2528 CarbonylContact C-O 3.49Å; T2491-V2528 WeakPolarHBondContact CA-O 3.34Å; C2492-V2528 PolarHBondContact N-O 3.19Å; C2492-V2528 PolarHBondContact O-N 3.06Å; C2492-V2528 VanDerWaalsContact O-O 3.08Å; L2494-V2528 HydrophobicContact CB-CG2 4.14Å; L2494-V2528 HydrophobicContact CD1-CG2 3.54Å; L2494-V2528 HydrophobicContact CD2-CG2 4.09Å; L2494-V2528 HydrophobicContact CG-CG2 4.43Å; I2504-V2528 HydrophobicContact CD1-CB 4.23Å; I2504-V2528 HydrophobicContact CD1-CG1 3.8Å; I2504-V2528 HydrophobicContact CD1-CG2 3.41Å; I2504-V2528 VanDerWaalsContact CD1-CG2 3.46Å; I2504-V2528 HydrophobicContact CG1-CG2 4.33Å; I2504-V2528 HydrophobicContact CG2-CB 4.49Å; I2504-V2528 HydrophobicContact CG2-CG1 3.65Å; I2504-V2528 HydrophobicContact CG2-CG2 4.28Å; W2506-V2528 HydrophobicContact CZ2-CG1 3.92Å; Y2522-V2528 CarbonylContact O-C 3.56Å; Y2522-V2528 WeakPolarHBondContact O-CA 3.28Å; Q2523-V2528 HydrophobicContact CG-CG1 4.31Å; Q2523-V2528 HydrophobicContact CG-CG2 4.41Å |
| 2529 | T | 90.9 | Very high | 82.2 | Confident | 22.4 Ų | 22.4 | 55.7 Ų | 55.7 | 14% | 0.137 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 132 | -175.4 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | Q2489 L2490 T2491 T2521 Y2522 V2531 | Q2489-T2529 HydrophobicContact CB-CG2 4.2Å; Q2489-T2529 HydrophobicContact CG-CG2 3.41Å; Q2489-T2529 VanDerWaalsContact CG-CG2 3.41Å; L2490-T2529 CarbonylContact O-C 3.57Å; L2490-T2529 VanDerWaalsContact O-CA 3.29Å; L2490-T2529 WeakPolarHBondContact O-CA 3.33Å; T2491-T2529 HydrophobicContact CG2-CG2 3.63Å; T2491-T2529 WeakPolarHBondContact CG2-OG1 3.26Å; T2491-T2529 VanDerWaalsContact OG1-CG2 3.25Å; T2491-T2529 WeakPolarHBondContact OG1-CG2 3.35Å; T2491-T2529 PolarHBondContact OG1-OG1 2.93Å; T2521-T2529 CarbonylContact C-O 3.57Å; T2521-T2529 VanDerWaalsContact CA-O 3.25Å; T2521-T2529 WeakPolarHBondContact CA-O 3.31Å; Y2522-T2529 PolarHBondContact N-O 3.08Å; Y2522-T2529 PolarHBondContact O-N 3Å; T2529-V2531 HydrophobicContact CG2-CG2 3.85Å |
| 2530 | L | 91.2 | Very high | 82.1 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 125.3 | 164.2 | -177 | 76.8 | 0 | 0 | 0 | 108.8 | Q2489 L2490 W2506 I2513 Y2515 I2519 Q2520 T2521 I2532 Y2543 | Q2489-L2530 CarbonylContact C-O 3.5Å; Q2489-L2530 WeakPolarHBondContact CA-O 3.38Å; L2490-L2530 HydrophobicContact CB-CB 4.28Å; L2490-L2530 HydrophobicContact CD1-CD2 4.18Å; L2490-L2530 PolarHBondContact N-O 3.15Å; L2490-L2530 PolarHBondContact O-N 3.22Å; W2506-L2530 HydrophobicContact CB-CD1 4.2Å; W2506-L2530 HydrophobicContact CB-CD2 4.47Å; W2506-L2530 HydrophobicContact CD2-CB 3.73Å; W2506-L2530 HydrophobicContact CD2-CD1 4.27Å; W2506-L2530 HydrophobicContact CD2-CD2 4.1Å; W2506-L2530 HydrophobicContact CD2-CG 4.26Å; W2506-L2530 HydrophobicContact CE3-CB 3.82Å; W2506-L2530 HydrophobicContact CE3-CD1 4.37Å; W2506-L2530 HydrophobicContact CE3-CD2 3.71Å; W2506-L2530 VanDerWaalsContact CE3-CD2 3.5Å; W2506-L2530 HydrophobicContact CE3-CG 4.28Å; W2506-L2530 HydrophobicContact CG-CB 4.36Å; W2506-L2530 HydrophobicContact CG-CD1 4.11Å; W2506-L2530 HydrophobicContact CG-CD2 4.42Å; W2506-L2530 HydrophobicContact CH2-CB 3.69Å; W2506-L2530 HydrophobicContact CZ2-CB 3.65Å; W2506-L2530 HydrophobicContact CZ3-CB 3.79Å; W2506-L2530 HydrophobicContact CZ3-CD2 4.11Å; W2506-L2530 HydrophobicContact CZ3-CG 4.45Å; I2513-L2530 HydrophobicContact CD1-CD2 3.85Å; Y2515-L2530 HydrophobicContact CE1-CD1 4.14Å; I2519-L2530 HydrophobicContact CG2-CD1 3.56Å; I2519-L2530 VanDerWaalsContact CG2-CD1 3.45Å; I2519-L2530 HydrophobicContact CG2-CD2 4.39Å; I2519-L2530 HydrophobicContact CG2-CG 4.23Å; Q2520-L2530 CarbonylContact O-C 3.4Å; Q2520-L2530 WeakPolarHBondContact O-CA 3.38Å; T2521-L2530 HydrophobicContact CG2-CD1 3.52Å; T2521-L2530 VanDerWaalsContact CG2-CD1 3.45Å; L2530-I2532 HydrophobicContact CD2-CD1 4.06Å; L2530-I2532 HydrophobicContact CD2-CG1 3.94Å; L2530-I2532 HydrophobicContact CG-CG1 4.35Å; L2530-Y2543 HydrophobicContact CD2-CD1 3.65Å; L2530-Y2543 HydrophobicContact CD2-CE1 3.81Å |
| 2531 | V | 89.3 | Confident | 82.3 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 120.4 | 178 | -176.3 | 0 | 0 | 0 | 0 | 109 | V2487 V2488 Q2489 I2519 Q2520 Y2522 T2529 Q2533 | V2487-V2531 HydrophobicContact CG1-CG1 4.01Å; V2488-V2531 CarbonylContact O-C 3.45Å; V2488-V2531 VanDerWaalsContact O-CA 3.32Å; V2488-V2531 WeakPolarHBondContact O-CA 3.34Å; Q2489-V2531 HydrophobicContact CG-CG1 4.25Å; Q2489-V2531 HydrophobicContact CG-CG2 4.13Å; I2519-V2531 CarbonylContact C-O 3.53Å; I2519-V2531 VanDerWaalsContact CA-O 3.32Å; I2519-V2531 WeakPolarHBondContact CA-O 3.38Å; Q2520-V2531 HydrophobicContact CB-CB 4.46Å; Q2520-V2531 PolarHBondContact N-O 3.15Å; Q2520-V2531 PolarHBondContact O-N 3.19Å; Y2522-V2531 HydrophobicContact CD2-CG2 4.01Å; Y2522-V2531 HydrophobicContact CE2-CB 4.39Å; Y2522-V2531 HydrophobicContact CE2-CG2 3.76Å; T2529-V2531 HydrophobicContact CG2-CG2 3.85Å; V2531-Q2533 HydrophobicContact CG1-CG 4.35Å |
| 2532 | I | 87.9 | Confident | 82.5 | Confident | 0.4 Ų | 0.4 | 55.4 Ų | 55.4 | 0% | 0.002 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 109 | 172.7 | -54.7 | 173.3 | 0 | 0 | 0 | 107.3 | V2487 V2488 R2518 I2519 L2530 Y2534 V2535 Y2543 L2560 | V2487-I2532 CarbonylContact C-O 3.58Å; V2487-I2532 VanDerWaalsContact CA-O 3.29Å; V2487-I2532 WeakPolarHBondContact CA-O 3.42Å; V2488-I2532 HydrophobicContact CB-CB 4.38Å; V2488-I2532 HydrophobicContact CG1-CD1 4.38Å; V2488-I2532 PolarHBondContact N-O 3.06Å; V2488-I2532 PolarHBondContact O-N 3.03Å; R2518-I2532 VanDerWaalsContact NH1-CG2 3.32Å; I2519-I2532 HydrophobicContact CG1-CG1 4.4Å; I2519-I2532 HydrophobicContact CG1-CG2 4.37Å; I2519-I2532 HydrophobicContact CG2-CG1 4.4Å; L2530-I2532 HydrophobicContact CD2-CD1 4.06Å; L2530-I2532 HydrophobicContact CD2-CG1 3.94Å; L2530-I2532 HydrophobicContact CG-CG1 4.35Å; I2532-Y2534 VanDerWaalsContact C-N 3.27Å; I2532-Y2534 PolarHBondContact O-N 2.87Å; I2532-V2535 HydrophobicContact CB-CG2 4.43Å; I2532-V2535 HydrophobicContact CG2-CG2 4.15Å; I2532-Y2543 HydrophobicContact CD1-CD1 4.34Å; I2532-Y2543 HydrophobicContact CD1-CE1 3.75Å; I2532-Y2543 VanDerWaalsContact CD1-OH 3.29Å; I2532-Y2543 WeakPolarHBondContact CD1-OH 3.31Å; I2532-L2560 HydrophobicContact CD1-CD1 4.19Å |
| 2533 | Q | 77.4 | Confident | 82.9 | Confident | 63.4 Ų | 63.4 | 49.8 Ų | 49.8 | 30% | 0.296 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -77.4 | 117.7 | 176.1 | -60 | -159.4 | -4.8 | 0 | 0 | 109.9 | V2487 S2517 R2518 V2531 | V2487-Q2533 WeakPolarHBondContact CG2-O 3.31Å; S2517-Q2533 PolarHBondContact O-OE1 2.88Å; R2518-Q2533 WeakPolarHBondContact CD-O 3.34Å; R2518-Q2533 HydrophobicContact CG-CB 4.4Å; R2518-Q2533 WeakPolarHBondContact CG-O 3.36Å; R2518-Q2533 WeakPolarHBondContact O-CB 3.33Å; R2518-Q2533 WeakPolarHBondContact O-CG 3.35Å; R2518-Q2533 PolarHBondContact O-N 2.9Å; V2531-Q2533 HydrophobicContact CG1-CG 4.35Å |
| 2534 | Y | 74.6 | Confident | 83.5 | Confident | 107 Ų | 107 | 45.2 Ų | 45.2 | 42% | 0.42 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 69.7 | 88.5 | 177.2 | -30.9 | -73 | 0 | 0 | 0 | 112.6 | G2485 E2486 R2518 I2532 I2536 R2594 | G2485-Y2534 WeakPolarHBondContact O-CD1 3.42Å; E2486-Y2534 CarbonylContact O-C 3.56Å; E2486-Y2534 VanDerWaalsContact O-CA 3.27Å; E2486-Y2534 WeakPolarHBondContact O-CA 3.28Å; E2486-Y2534 PolarHBondContact O-N 2.95Å; E2486-Y2534 VanDerWaalsContact O-N 3.17Å; R2518-Y2534 HydrophobicContact CB-CE1 4.28Å; R2518-Y2534 WeakPolarHBondContact CD-OH 3.29Å; R2518-Y2534 HydrophobicContact CG-CD1 4.16Å; R2518-Y2534 HydrophobicContact CG-CD2 4.41Å; R2518-Y2534 HydrophobicContact CG-CE1 3.71Å; R2518-Y2534 HydrophobicContact CG-CE2 4Å; R2518-Y2534 HydrophobicContact CG-CG 4.49Å; R2518-Y2534 PolarHBondContact NH1-O 3.14Å; I2532-Y2534 VanDerWaalsContact C-N 3.27Å; I2532-Y2534 PolarHBondContact O-N 2.87Å; Y2534-I2536 HydrophobicContact CD2-CG2 4.39Å; Y2534-I2536 PolarHBondContact O-N 3.04Å; Y2534-R2594 VanDerWaalsContact CD1-CZ 3.41Å; Y2534-R2594 VanDerWaalsContact CE1-CZ 3.43Å; Y2534-R2594 VanDerWaalsContact CE1-NH1 3.28Å; Y2534-R2594 VanDerWaalsContact CZ-NH2 3.29Å; Y2534-R2594 PolarHBondContact OH-NH2 3.14Å |
| 2535 | V | 77.7 | Confident | 84.2 | Confident | 4.2 Ų | 4.2 | 39.1 Ų | 39.1 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | trans | -64.3 | 129.6 | 178.9 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | I2482 E2484 G2485 E2486 V2488 I2532 D2539 L2560 | I2482-V2535 HydrophobicContact CG2-CB 4.26Å; I2482-V2535 HydrophobicContact CG2-CG1 4.1Å; I2482-V2535 HydrophobicContact CG2-CG2 4.11Å; E2484-V2535 CarbonylContact C-O 3.56Å; E2484-V2535 VanDerWaalsContact CA-O 3.28Å; E2484-V2535 WeakPolarHBondContact CA-O 3.4Å; G2485-V2535 PolarHBondContact N-O 3.14Å; E2486-V2535 WeakPolarHBondContact O-CG2 3.33Å; E2486-V2535 PolarHBondContact O-N 2.99Å; V2488-V2535 HydrophobicContact CB-CG2 3.97Å; V2488-V2535 HydrophobicContact CG2-CG2 3.45Å; V2488-V2535 VanDerWaalsContact CG2-CG2 3.47Å; I2532-V2535 HydrophobicContact CB-CG2 4.43Å; I2532-V2535 HydrophobicContact CG2-CG2 4.15Å; V2535-D2539 VanDerWaalsContact CA-OD2 3.31Å; V2535-D2539 WeakPolarHBondContact CA-OD2 3.35Å; V2535-D2539 HydrophobicContact CG1-CB 4.21Å; V2535-L2560 HydrophobicContact CG1-CD2 4.48Å; V2535-L2560 HydrophobicContact CG2-CD2 4.5Å | ||
| 2536 | I | 76.4 | Confident | 84.8 | Confident | 47 Ų | 47 | 35.5 Ų | 35.5 | 24% | 0.241 | 18% | 0.175 | C | C | . | . | trans | -108.3 | 165.4 | 170.2 | 56 | 172.5 | 0 | 0 | 0 | 110.4 | Y2534 E2538 D2539 I2598 | Y2534-I2536 HydrophobicContact CD2-CG2 4.39Å; Y2534-I2536 PolarHBondContact O-N 3.04Å; I2536-E2538 HydrophobicContact CD1-CB 3.96Å; I2536-E2538 HydrophobicContact CD1-CG 4.31Å; I2536-E2538 VanDerWaalsContact CD1-OE2 3.29Å; I2536-E2538 WeakPolarHBondContact CD1-OE2 3.29Å; I2536-E2538 HydrophobicContact CG1-CB 4.17Å; I2536-E2538 WeakPolarHBondContact CG1-OE2 3.25Å; I2536-E2538 PolarHBondContact O-N 3.05Å; I2536-E2538 VanDerWaalsContact O-N 3.11Å; I2536-D2539 HydrophobicContact CG1-CB 4.43Å; I2536-D2539 VanDerWaalsContact CG1-OD2 3.29Å; I2536-D2539 WeakPolarHBondContact CG1-OD2 3.29Å; I2536-D2539 PolarHBondContact N-OD2 3.17Å; I2536-D2539 WeakPolarHBondContact O-CB 3.36Å; I2536-D2539 PolarHBondContact O-N 3.13Å; I2536-I2598 HydrophobicContact CG2-CD1 4.24Å | ||
| 2537 | N | 71.1 | Confident | 85.4 | Confident | 75 Ų | 75 | 34.9 Ų | 34.9 | 40% | 0.401 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -54.7 | -35.6 | 177.7 | -149.8 | 12.7 | 0 | 0 | 0 | 113.2 | E2484 D2539 S2540 N2562 T2564 | E2484-N2537 WeakPolarHBondContact OE1-CB 3.39Å; E2484-N2537 PolarHBondContact OE1-N 2.99Å; E2484-N2537 VanDerWaalsContact OE1-N 3.11Å; E2484-N2537 PolarHBondContact OE1-ND2 2.8Å; E2484-N2537 PolarHBondContact OE1-OD1 2.92Å; N2537-D2539 PolarHBondContact O-N 3.14Å; N2537-S2540 VanDerWaalsContact O-CB 3.28Å; N2537-S2540 WeakPolarHBondContact O-CB 3.24Å; N2537-S2540 PolarHBondContact O-N 3.05Å; N2537-S2540 VanDerWaalsContact O-N 3.09Å; N2537-S2540 PolarHBondContact O-OG 3.14Å; N2537-N2562 WeakPolarHBondContact CA-ND2 3.36Å; N2537-N2562 PolarHBondContact N-ND2 3.03Å; N2537-N2562 PolarHBondContact OD1-ND2 3.02Å; N2537-N2562 VanDerWaalsContact OD1-ND2 3.12Å; N2537-T2564 WeakPolarHBondContact ND2-CG2 3.23Å; N2537-T2564 WeakPolarHBondContact OD1-CG2 3.39Å; N2537-T2564 PolarHBondContact OD1-OG1 3.12Å |
| 2538 | E | 76.8 | Confident | 85.5 | Confident | 118 Ų | 118 | 32.7 Ų | 32.7 | 55% | 0.551 | 16% | 0.162 | S | C | * | . | G | 310 helix | trans | -66.1 | -21.1 | 177.5 | -61.7 | 156.3 | 178.3 | 0 | 0 | 113.5 | H2508 I2536 S2540 | H2508-E2538 PolarHBondContact CE1-O 3Å; H2508-E2538 VanDerWaalsContact CE1-O 3.23Å; H2508-E2538 PolarHBondContact NE2-O 2.79Å; I2536-E2538 HydrophobicContact CD1-CB 3.96Å; I2536-E2538 HydrophobicContact CD1-CG 4.31Å; I2536-E2538 VanDerWaalsContact CD1-OE2 3.29Å; I2536-E2538 WeakPolarHBondContact CD1-OE2 3.29Å; I2536-E2538 HydrophobicContact CG1-CB 4.17Å; I2536-E2538 WeakPolarHBondContact CG1-OE2 3.25Å; I2536-E2538 PolarHBondContact O-N 3.05Å; I2536-E2538 VanDerWaalsContact O-N 3.11Å; E2538-S2540 PolarHBondContact O-N 2.94Å |
| 2539 | D | 83.2 | Confident | 85.4 | Confident | 7.2 Ų | 7.2 | 33.2 Ų | 33.2 | 4% | 0.039 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -78.5 | -1.5 | 173.7 | -60.4 | -40.2 | 0 | 0 | 0 | 112.1 | R2518 V2535 I2536 N2537 Y2543 | R2518-D2539 IonicContact CZ-OD1 3.09Å; R2518-D2539 IonicContact CZ-OD2 3.25Å; R2518-D2539 VanDerWaalsContact NH1-CG 3.33Å; R2518-D2539 IonicContact NH1-OD1 3.5Å; R2518-D2539 PolarHBondContact NH1-OD1 3.06Å; R2518-D2539 IonicContact NH1-OD2 3.23Å; R2518-D2539 PolarHBondContact NH1-OD2 3.03Å; R2518-D2539 IonicContact NH2-OD1 3.37Å; R2518-D2539 PolarHBondContact NH2-OD1 3.22Å; R2518-D2539 IonicContact NH2-OD2 3.42Å; R2518-D2539 PolarHBondContact NH2-OD2 2.74Å; V2535-D2539 VanDerWaalsContact CA-OD2 3.31Å; V2535-D2539 WeakPolarHBondContact CA-OD2 3.35Å; V2535-D2539 HydrophobicContact CG1-CB 4.21Å; I2536-D2539 HydrophobicContact CG1-CB 4.43Å; I2536-D2539 VanDerWaalsContact CG1-OD2 3.29Å; I2536-D2539 WeakPolarHBondContact CG1-OD2 3.29Å; I2536-D2539 PolarHBondContact N-OD2 3.17Å; I2536-D2539 WeakPolarHBondContact O-CB 3.36Å; I2536-D2539 PolarHBondContact O-N 3.13Å; N2537-D2539 PolarHBondContact O-N 3.14Å; D2539-Y2543 WeakPolarHBondContact CB-OH 3.11Å; D2539-Y2543 VanDerWaalsContact O-CE2 3.24Å; D2539-Y2543 WeakPolarHBondContact O-CE2 3.41Å; D2539-Y2543 PolarHBondContact O-OH 3.08Å; D2539-Y2543 VanDerWaalsContact O-OH 3.12Å |
| 2540 | S | 82.5 | Confident | 84.8 | Confident | 34.2 Ų | 34.2 | 36.3 Ų | 36.3 | 24% | 0.239 | 19% | 0.192 | C | C | . | . | trans | -70.4 | 149.3 | 169.9 | -39.2 | 0 | 0 | 0 | 0 | 110.3 | H2508 N2537 E2538 L2560 N2562 | H2508-S2540 PolarHBondContact NE2-O 3.06Å; N2537-S2540 VanDerWaalsContact O-CB 3.28Å; N2537-S2540 WeakPolarHBondContact O-CB 3.24Å; N2537-S2540 PolarHBondContact O-N 3.05Å; N2537-S2540 VanDerWaalsContact O-N 3.09Å; N2537-S2540 PolarHBondContact O-OG 3.14Å; E2538-S2540 PolarHBondContact O-N 2.94Å; S2540-L2560 WeakPolarHBondContact CA-O 3.39Å; S2540-N2562 WeakPolarHBondContact OG-CB 3.42Å; S2540-N2562 PolarHBondContact OG-N 3.08Å | ||
| 2541 | G | 85.3 | Confident | 84.4 | Confident | 9.6 Ų | 9.6 | 41.8 Ų | 41.8 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 132.6 | -174.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E2509 Y2543 C2559 L2560 | E2509-G2541 VanDerWaalsContact OE1-CA 3.24Å; E2509-G2541 WeakPolarHBondContact OE1-CA 3.32Å; G2541-Y2543 PolarHBondContact O-N 3.03Å; G2541-C2559 CarbonylContact O-C 3.49Å; G2541-C2559 WeakPolarHBondContact O-CA 3.34Å; G2541-L2560 PolarHBondContact N-O 2.92Å; G2541-L2560 PolarHBondContact O-N 2.97Å |
| 2542 | E | 90.5 | Very high | 84.2 | Confident | 61.6 Ų | 61.6 | 42.7 Ų | 42.7 | 29% | 0.288 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 112.9 | 179.1 | -170.9 | 177 | 101.5 | 0 | 0 | 111.4 | H2508 E2509 K2557 I2558 R3484 | H2508-E2542 CarbonylContact C-O 3.55Å; H2508-E2542 WeakPolarHBondContact CA-O 3.28Å; E2509-E2542 PolarHBondContact N-O 2.96Å; E2509-E2542 PolarHBondContact OE1-N 3.12Å; E2542-K2557 HydrophobicContact CG-CB 4.36Å; E2542-K2557 HydrophobicContact CG-CD 4.4Å; E2542-K2557 WeakPolarHBondContact OE1-CD 3.36Å; E2542-K2557 WeakPolarHBondContact OE1-CE 3.06Å; E2542-K2557 IonicContact OE1-NZ 3.74Å; E2542-K2557 PolarHBondContact OE1-NZ 3.1Å; E2542-K2557 WeakPolarHBondContact OE2-CD 3.26Å; E2542-K2557 IonicContact OE2-NZ 3.53Å; E2542-K2557 PolarHBondContact OE2-NZ 2.89Å; E2542-I2558 CarbonylContact C-O 3.54Å; E2542-I2558 WeakPolarHBondContact CA-O 3.36Å; E2542-R3484 IonicContact OE2-NH1 2.78Å |
| 2543 | Y | 92.5 | Very high | 84.4 | Confident | 2.2 Ų | 2.2 | 47.8 Ų | 47.8 | 1% | 0.009 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 136.2 | 167.8 | -74.3 | -103.6 | 0 | 0 | 0 | 110 | L2490 W2507 H2508 I2513 L2530 I2532 D2539 G2541 K2557 I2558 L2560 | L2490-Y2543 HydrophobicContact CD1-CD1 3.85Å; L2490-Y2543 HydrophobicContact CD1-CD2 4.22Å; L2490-Y2543 HydrophobicContact CD1-CE1 4.46Å; L2490-Y2543 HydrophobicContact CD1-CG 3.72Å; W2507-Y2543 CarbonylContact O-C 3.56Å; W2507-Y2543 VanDerWaalsContact O-CA 3.26Å; W2507-Y2543 WeakPolarHBondContact O-CA 3.43Å; H2508-Y2543 HydrophobicContact CB-CD1 4.2Å; H2508-Y2543 HydrophobicContact CB-CE1 3.97Å; H2508-Y2543 HydrophobicContact CB-CE2 4.32Å; H2508-Y2543 AromaticContact CD2-CD2 3.77Å; H2508-Y2543 AromaticContact CD2-CE1 3.92Å; H2508-Y2543 AromaticContact CD2-CE2 3.26Å; H2508-Y2543 VanDerWaalsContact CD2-CE2 3.43Å; H2508-Y2543 WeakPolarHBondContact CD2-CE2 3.34Å; H2508-Y2543 AromaticContact CD2-CZ 3.45Å; H2508-Y2543 VanDerWaalsContact CD2-CZ 3.45Å; H2508-Y2543 AromaticContact CG-CE2 3.84Å; H2508-Y2543 AromaticContact CG-CZ 3.86Å; H2508-Y2543 AromaticContact NE2-CE2 3.82Å; H2508-Y2543 AromaticContact NE2-CZ 3.96Å; I2513-Y2543 HydrophobicContact CD1-CD1 3.62Å; I2513-Y2543 HydrophobicContact CD1-CE1 3.54Å; I2513-Y2543 VanDerWaalsContact CD1-CE1 3.43Å; L2530-Y2543 HydrophobicContact CD2-CD1 3.65Å; L2530-Y2543 HydrophobicContact CD2-CE1 3.81Å; I2532-Y2543 HydrophobicContact CD1-CD1 4.34Å; I2532-Y2543 HydrophobicContact CD1-CE1 3.75Å; I2532-Y2543 VanDerWaalsContact CD1-OH 3.29Å; I2532-Y2543 WeakPolarHBondContact CD1-OH 3.31Å; D2539-Y2543 WeakPolarHBondContact CB-OH 3.11Å; D2539-Y2543 VanDerWaalsContact O-CE2 3.24Å; D2539-Y2543 WeakPolarHBondContact O-CE2 3.41Å; D2539-Y2543 PolarHBondContact O-OH 3.08Å; D2539-Y2543 VanDerWaalsContact O-OH 3.12Å; G2541-Y2543 PolarHBondContact O-N 3.03Å; Y2543-K2557 CarbonylContact O-C 3.53Å; Y2543-K2557 VanDerWaalsContact O-CA 3.26Å; Y2543-K2557 WeakPolarHBondContact O-CA 3.38Å; Y2543-I2558 PolarHBondContact N-O 2.89Å; Y2543-I2558 PolarHBondContact O-N 2.91Å; Y2543-L2560 HydrophobicContact CD2-CB 4.23Å; Y2543-L2560 HydrophobicContact CD2-CD1 3.73Å; Y2543-L2560 HydrophobicContact CD2-CG 4.04Å; Y2543-L2560 HydrophobicContact CE2-CB 4.11Å; Y2543-L2560 HydrophobicContact CE2-CD1 3.49Å; Y2543-L2560 VanDerWaalsContact CE2-CD1 3.42Å; Y2543-L2560 HydrophobicContact CE2-CG 4.22Å; Y2543-L2560 HydrophobicContact CG-CD1 4.33Å |
| 2544 | T | 92.8 | Very high | 85 | Confident | 11 Ų | 11 | 45.5 Ų | 45.5 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 120.7 | -178.2 | -61 | 0 | 0 | 0 | 0 | 109.4 | W2506 W2507 V2555 T2556 K2557 | W2506-T2544 WeakPolarHBondContact CA-O 3.45Å; W2507-T2544 HydrophobicContact CB-CG2 4.36Å; W2507-T2544 PolarHBondContact N-O 3Å; W2507-T2544 PolarHBondContact O-N 2.94Å; T2544-V2555 HydrophobicContact CG2-CG1 3.25Å; T2544-T2556 CarbonylContact C-O 3.47Å; T2544-T2556 WeakPolarHBondContact CA-O 3.28Å; T2544-K2557 HydrophobicContact CG2-CG 3.95Å; T2544-K2557 WeakPolarHBondContact OG1-CE 3.36Å; T2544-K2557 WeakPolarHBondContact OG1-CG 3.34Å; T2544-K2557 PolarHBondContact OG1-NZ 3.17Å |
| 2545 | C | 92.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.5 | 169.5 | 178.2 | 0 | 0 | 0 | 0 | 108.5 | F2472 L2476 C2492 E2505 W2506 V2555 T2556 | F2472-C2545 HydrophobicContact CZ-CB 4.42Å; F2472-C2545 WeakPolarHBondContact CZ-O 3.4Å; L2476-C2545 HydrophobicContact CD1-CB 4.09Å; C2492-C2545 VanDerWaalsContact SG-SG 3.67Å; E2505-C2545 WeakPolarHBondContact O-CA 3.24Å; W2506-C2545 HydrophobicContact CD2-CB 4.09Å; W2506-C2545 HydrophobicContact CE3-CB 3.89Å; W2506-C2545 HydrophobicContact CH2-CB 3.95Å; W2506-C2545 HydrophobicContact CZ2-CB 4.09Å; W2506-C2545 HydrophobicContact CZ3-CB 3.83Å; C2545-V2555 WeakPolarHBondContact O-CA 3.33Å; C2545-T2556 HydrophobicContact CB-CG2 3.76Å; C2545-T2556 PolarHBondContact N-O 2.86Å; C2545-T2556 PolarHBondContact O-N 2.89Å |
| 2546 | R | 92.5 | Very high | 86.6 | Confident | 70.2 Ų | 70.2 | 44.1 Ų | 44.1 | 27% | 0.265 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 120.2 | -176.9 | 176.8 | 175.6 | 167.3 | -141.7 | 0.9 | 109.1 | I2504 E2505 V2548 E2553 A2554 V2555 | I2504-R2546 CarbonylContact C-O 3.55Å; I2504-R2546 WeakPolarHBondContact CA-O 3.24Å; E2505-R2546 HydrophobicContact CB-CB 4.3Å; E2505-R2546 VanDerWaalsContact CD-NH1 3.26Å; E2505-R2546 PolarHBondContact N-O 3.03Å; E2505-R2546 PolarHBondContact O-N 3.12Å; E2505-R2546 IonicContact OE1-NH1 3.2Å; E2505-R2546 PolarHBondContact OE1-NH1 2.88Å; E2505-R2546 IonicContact OE1-NH2 3.54Å; E2505-R2546 WeakPolarHBondContact OE2-CD 3.34Å; E2505-R2546 IonicContact OE2-CZ 3.01Å; E2505-R2546 VanDerWaalsContact OE2-CZ 3.23Å; E2505-R2546 IonicContact OE2-NE 3.02Å; E2505-R2546 PolarHBondContact OE2-NE 3.37Å; E2505-R2546 IonicContact OE2-NH1 3.02Å; E2505-R2546 PolarHBondContact OE2-NH1 2.97Å; E2505-R2546 VanDerWaalsContact OE2-NH1 3.15Å; E2505-R2546 IonicContact OE2-NH2 2.68Å; E2505-R2546 PolarHBondContact OE2-NH2 3.46Å; R2546-V2548 HydrophobicContact CG-CG2 4.03Å; R2546-E2553 WeakPolarHBondContact CD-OE1 3.21Å; R2546-E2553 HydrophobicContact CG-CG 4.21Å; R2546-E2553 WeakPolarHBondContact CG-OE1 3.4Å; R2546-E2553 IonicContact CZ-OE1 3.31Å; R2546-E2553 IonicContact CZ-OE2 3.33Å; R2546-E2553 IonicContact NE-OE1 2.78Å; R2546-E2553 PolarHBondContact NE-OE1 2.98Å; R2546-E2553 IonicContact NE-OE2 3.27Å; R2546-E2553 PolarHBondContact NE-OE2 2.85Å; R2546-E2553 VanDerWaalsContact NE-OE2 3.11Å; R2546-E2553 IonicContact NH2-OE1 3.67Å; R2546-E2553 IonicContact NH2-OE2 3.08Å; R2546-E2553 PolarHBondContact NH2-OE2 2.98Å; R2546-A2554 WeakPolarHBondContact CA-O 3.36Å; R2546-V2555 HydrophobicContact CB-CG2 4.35Å; R2546-V2555 HydrophobicContact CG-CG2 4.14Å |
| 2547 | A | 91.4 | Very high | 87.4 | Confident | 0.2 Ų | 0.2 | 46.3 Ų | 46.3 | 0% | 0.002 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.7 | 176 | 0 | 0 | 0 | 0 | 0 | 109.5 | P2470 F2472 L2494 M2502 V2503 I2504 E2553 A2554 | P2470-A2547 HydrophobicContact CB-CB 4.09Å; P2470-A2547 HydrophobicContact CG-CB 4.38Å; P2470-A2547 VanDerWaalsContact CG-O 3.28Å; P2470-A2547 WeakPolarHBondContact CG-O 3.3Å; F2472-A2547 HydrophobicContact CE1-CB 4.47Å; F2472-A2547 HydrophobicContact CE2-CB 4.33Å; F2472-A2547 HydrophobicContact CZ-CB 4.06Å; L2494-A2547 HydrophobicContact CD1-CB 3.71Å; L2494-A2547 HydrophobicContact CD2-CB 3.79Å; L2494-A2547 HydrophobicContact CG-CB 4.29Å; M2502-A2547 HydrophobicContact SD-CB 4.21Å; V2503-A2547 CarbonylContact O-C 3.54Å; V2503-A2547 WeakPolarHBondContact O-CA 3.33Å; I2504-A2547 HydrophobicContact CG1-CB 4.23Å; A2547-E2553 CarbonylContact O-C 3.52Å; A2547-E2553 VanDerWaalsContact O-CA 3.27Å; A2547-E2553 WeakPolarHBondContact O-CA 3.31Å; A2547-A2554 PolarHBondContact N-O 3.06Å; A2547-A2554 PolarHBondContact O-N 3.08Å |
| 2548 | V | 88.8 | Confident | 88.3 | Confident | 42.6 Ų | 42.6 | 43.4 Ų | 43.4 | 26% | 0.258 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 132.9 | -176.3 | -174 | 0 | 0 | 0 | 0 | 109 | M2502 V2503 R2546 E2553 | M2502-V2548 CarbonylContact C-O 3.49Å; M2502-V2548 WeakPolarHBondContact CA-O 3.25Å; V2503-V2548 PolarHBondContact N-O 2.96Å; V2503-V2548 PolarHBondContact O-N 2.94Å; R2546-V2548 HydrophobicContact CG-CG2 4.03Å; V2548-E2553 HydrophobicContact CB-CB 4.43Å; V2548-E2553 HydrophobicContact CG1-CB 4.37Å; V2548-E2553 HydrophobicContact CG2-CB 4.09Å; V2548-E2553 HydrophobicContact CG2-CG 4.02Å |
| 2549 | N | 87.4 | Confident | 88.7 | Confident | 11.8 Ų | 11.8 | 40.7 Ų | 40.7 | 6% | 0.063 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | -177.8 | 168.9 | 81.7 | -4.4 | 0 | 0 | 0 | 110.9 | P2468 P2470 D2499 S2501 M2502 K2551 G2552 | P2468-N2549 PolarHBondContact O-ND2 2.98Å; P2470-N2549 VanDerWaalsContact CD-CG 3.47Å; P2470-N2549 VanDerWaalsContact CD-OD1 3.28Å; P2470-N2549 WeakPolarHBondContact CD-OD1 3.35Å; P2470-N2549 HydrophobicContact CG-CB 3.97Å; D2499-N2549 VanDerWaalsContact OD2-CB 3.25Å; D2499-N2549 WeakPolarHBondContact OD2-CB 3.3Å; D2499-N2549 PolarHBondContact OD2-ND2 3.02Å; S2501-N2549 WeakPolarHBondContact OG-CB 3.43Å; M2502-N2549 HydrophobicContact CB-CB 4.49Å; M2502-N2549 HydrophobicContact CE-CB 4.16Å; M2502-N2549 HydrophobicContact SD-CB 4.14Å; N2549-K2551 PolarHBondContact O-N 3.07Å; N2549-K2551 VanDerWaalsContact O-N 3.14Å; N2549-K2551 WeakPolarHBondContact OD1-CA 3.33Å; N2549-K2551 PolarHBondContact OD1-N 3.06Å; N2549-G2552 PolarHBondContact N-O 2.96Å; N2549-G2552 PolarHBondContact O-N 2.99Å; N2549-G2552 PolarHBondContact OD1-N 3.09Å; N2549-G2552 VanDerWaalsContact OD1-N 3.09Å; N2549-G2552 PolarHBondContact OD1-O 3.15Å |
| 2550 | A | 79.1 | Confident | 88.6 | Confident | 86.4 Ų | 86.4 | 40.7 Ų | 40.7 | 71% | 0.714 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -16.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S2501 | S2501-A2550 PolarHBondContact OG-N 2.89Å; S2501-A2550 VanDerWaalsContact OG-N 3.13Å |
| 2551 | K | 82.5 | Confident | 88 | Confident | 116.8 Ų | 116.8 | 47.7 Ų | 47.7 | 51% | 0.508 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -15.8 | -177.7 | -63.2 | -79.7 | 178.6 | 155.3 | 0 | 114.2 | E2464 D2466 F2467 A2469 N2549 | E2464-K2551 IonicContact OE2-NZ 2.81Å; E2464-K2551 PolarHBondContact OE2-NZ 3.05Å; D2466-K2551 VanDerWaalsContact OD1-CE 3.22Å; D2466-K2551 WeakPolarHBondContact OD1-CE 3.39Å; D2466-K2551 IonicContact OD1-NZ 2.96Å; D2466-K2551 PolarHBondContact OD1-NZ 2.87Å; D2466-K2551 IonicContact OD2-NZ 3.56Å; D2466-K2551 PolarHBondContact OD2-NZ 3.32Å; F2467-K2551 WeakPolarHBondContact O-CD 3.46Å; F2467-K2551 WeakPolarHBondContact O-CE 3.1Å; F2467-K2551 VanDerWaalsContact O-CG 3.26Å; F2467-K2551 WeakPolarHBondContact O-CG 3.36Å; A2469-K2551 HydrophobicContact CB-CB 4.24Å; N2549-K2551 PolarHBondContact O-N 3.07Å; N2549-K2551 VanDerWaalsContact O-N 3.14Å; N2549-K2551 WeakPolarHBondContact OD1-CA 3.33Å; N2549-K2551 PolarHBondContact OD1-N 3.06Å |
| 2552 | G | 85.6 | Confident | 86.6 | Confident | 27.2 Ų | 27.2 | 48.5 Ų | 48.5 | 28% | 0.28 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.7 | -170 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | P2470 N2549 | P2470-G2552 VanDerWaalsContact CD-C 3.49Å; P2470-G2552 VanDerWaalsContact CD-O 3.28Å; P2470-G2552 WeakPolarHBondContact CD-O 3.38Å; P2470-G2552 WeakPolarHBondContact CG-O 3.46Å; N2549-G2552 PolarHBondContact N-O 2.96Å; N2549-G2552 PolarHBondContact O-N 2.99Å; N2549-G2552 PolarHBondContact OD1-N 3.09Å; N2549-G2552 VanDerWaalsContact OD1-N 3.09Å; N2549-G2552 PolarHBondContact OD1-O 3.15Å |
| 2553 | E | 91.7 | Very high | 84.6 | Confident | 107.4 Ų | 107.4 | 48.6 Ų | 48.6 | 50% | 0.502 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 148.3 | 179.7 | 102.8 | 176 | 174.5 | 0 | 0 | 110.6 | R2546 A2547 V2548 V2555 | R2546-E2553 WeakPolarHBondContact CD-OE1 3.21Å; R2546-E2553 HydrophobicContact CG-CG 4.21Å; R2546-E2553 WeakPolarHBondContact CG-OE1 3.4Å; R2546-E2553 IonicContact CZ-OE1 3.31Å; R2546-E2553 IonicContact CZ-OE2 3.33Å; R2546-E2553 IonicContact NE-OE1 2.78Å; R2546-E2553 PolarHBondContact NE-OE1 2.98Å; R2546-E2553 IonicContact NE-OE2 3.27Å; R2546-E2553 PolarHBondContact NE-OE2 2.85Å; R2546-E2553 VanDerWaalsContact NE-OE2 3.11Å; R2546-E2553 IonicContact NH2-OE1 3.67Å; R2546-E2553 IonicContact NH2-OE2 3.08Å; R2546-E2553 PolarHBondContact NH2-OE2 2.98Å; A2547-E2553 CarbonylContact O-C 3.52Å; A2547-E2553 VanDerWaalsContact O-CA 3.27Å; A2547-E2553 WeakPolarHBondContact O-CA 3.31Å; V2548-E2553 HydrophobicContact CB-CB 4.43Å; V2548-E2553 HydrophobicContact CG1-CB 4.37Å; V2548-E2553 HydrophobicContact CG2-CB 4.09Å; V2548-E2553 HydrophobicContact CG2-CG 4.02Å; E2553-V2555 HydrophobicContact CG-CG2 4.04Å; E2553-V2555 VanDerWaalsContact OE1-CG2 3.27Å; E2553-V2555 WeakPolarHBondContact OE1-CG2 3.35Å |
| 2554 | A | 90.9 | Very high | 82.5 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 13% | 0.132 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 145.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | P2470 F2472 R2546 A2547 | P2470-A2554 HydrophobicContact CB-CB 4.12Å; P2470-A2554 HydrophobicContact CG-CB 4.05Å; P2470-A2554 VanDerWaalsContact O-CB 3.3Å; P2470-A2554 WeakPolarHBondContact O-CB 3.31Å; F2472-A2554 HydrophobicContact CD2-CB 3.89Å; F2472-A2554 HydrophobicContact CE2-CB 3.81Å; F2472-A2554 WeakPolarHBondContact CE2-O 3.3Å; R2546-A2554 WeakPolarHBondContact CA-O 3.36Å; A2547-A2554 PolarHBondContact N-O 3.06Å; A2547-A2554 PolarHBondContact O-N 3.08Å |
| 2555 | V | 92.9 | Very high | 80.4 | Confident | 68.2 Ų | 68.2 | 52.8 Ų | 52.8 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 133.7 | -177.7 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | T2544 C2545 R2546 E2553 K2557 | T2544-V2555 HydrophobicContact CG2-CG1 3.25Å; C2545-V2555 WeakPolarHBondContact O-CA 3.33Å; R2546-V2555 HydrophobicContact CB-CG2 4.35Å; R2546-V2555 HydrophobicContact CG-CG2 4.14Å; E2553-V2555 HydrophobicContact CG-CG2 4.04Å; E2553-V2555 VanDerWaalsContact OE1-CG2 3.27Å; E2553-V2555 WeakPolarHBondContact OE1-CG2 3.35Å; V2555-K2557 HydrophobicContact CG1-CG 4.28Å |
| 2556 | T | 92.6 | Very high | 78.5 | Confident | 12.8 Ų | 12.8 | 57 Ų | 57 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 143.3 | 170.7 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | F2472 P2475 L2476 C2492 T2544 C2545 | F2472-T2556 HydrophobicContact CD1-CG2 3.84Å; F2472-T2556 HydrophobicContact CD2-CG2 3.93Å; F2472-T2556 HydrophobicContact CE1-CG2 3.63Å; F2472-T2556 HydrophobicContact CE2-CG2 3.72Å; F2472-T2556 HydrophobicContact CG-CG2 3.99Å; F2472-T2556 HydrophobicContact CZ-CG2 3.58Å; F2472-T2556 VanDerWaalsContact CZ-CG2 3.46Å; P2475-T2556 WeakPolarHBondContact CA-OG1 3.39Å; P2475-T2556 VanDerWaalsContact CB-OG1 3.3Å; P2475-T2556 WeakPolarHBondContact CB-OG1 3.27Å; L2476-T2556 HydrophobicContact CB-CG2 4.35Å; L2476-T2556 HydrophobicContact CD1-CG2 3.83Å; L2476-T2556 HydrophobicContact CG-CG2 3.66Å; L2476-T2556 PolarHBondContact N-OG1 3.03Å; L2476-T2556 VanDerWaalsContact N-OG1 3.11Å; C2492-T2556 HydrophobicContact CB-CG2 4.37Å; T2544-T2556 CarbonylContact C-O 3.47Å; T2544-T2556 WeakPolarHBondContact CA-O 3.28Å; C2545-T2556 HydrophobicContact CB-CG2 3.76Å; C2545-T2556 PolarHBondContact N-O 2.86Å; C2545-T2556 PolarHBondContact O-N 2.89Å |
| 2557 | K | 92.5 | Very high | 77.2 | Confident | 93.4 Ų | 93.4 | 62.1 Ų | 62.1 | 41% | 0.406 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 148.8 | -171.2 | -59.9 | -171.8 | 160.3 | -143.9 | 0 | 111.8 | E2542 Y2543 T2544 V2555 | E2542-K2557 HydrophobicContact CG-CB 4.36Å; E2542-K2557 HydrophobicContact CG-CD 4.4Å; E2542-K2557 WeakPolarHBondContact OE1-CD 3.36Å; E2542-K2557 WeakPolarHBondContact OE1-CE 3.06Å; E2542-K2557 IonicContact OE1-NZ 3.74Å; E2542-K2557 PolarHBondContact OE1-NZ 3.1Å; E2542-K2557 WeakPolarHBondContact OE2-CD 3.26Å; E2542-K2557 IonicContact OE2-NZ 3.53Å; E2542-K2557 PolarHBondContact OE2-NZ 2.89Å; Y2543-K2557 CarbonylContact O-C 3.53Å; Y2543-K2557 VanDerWaalsContact O-CA 3.26Å; Y2543-K2557 WeakPolarHBondContact O-CA 3.38Å; T2544-K2557 HydrophobicContact CG2-CG 3.95Å; T2544-K2557 WeakPolarHBondContact OG1-CE 3.36Å; T2544-K2557 WeakPolarHBondContact OG1-CG 3.34Å; T2544-K2557 PolarHBondContact OG1-NZ 3.17Å; V2555-K2557 HydrophobicContact CG1-CG 4.28Å |
| 2558 | I | 90.9 | Very high | 76.2 | Confident | 13.8 Ų | 13.8 | 65.5 Ų | 65.5 | 7% | 0.071 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 147.2 | 174.4 | -169.7 | -178.2 | 0 | 0 | 0 | 109.9 | L2476 Q2477 V2479 L2490 E2542 Y2543 | L2476-I2558 HydrophobicContact CB-CB 3.98Å; L2476-I2558 HydrophobicContact CB-CG2 4.24Å; L2476-I2558 HydrophobicContact CD1-CB 4.31Å; L2476-I2558 HydrophobicContact CD1-CG2 3.82Å; L2476-I2558 HydrophobicContact CG-CG2 4.47Å; Q2477-I2558 WeakPolarHBondContact O-CD1 3.31Å; V2479-I2558 HydrophobicContact CG2-CD1 3.61Å; L2490-I2558 HydrophobicContact CD1-CG2 3.97Å; L2490-I2558 HydrophobicContact CD2-CD1 3.88Å; L2490-I2558 HydrophobicContact CD2-CG2 4.21Å; E2542-I2558 CarbonylContact C-O 3.54Å; E2542-I2558 WeakPolarHBondContact CA-O 3.36Å; Y2543-I2558 PolarHBondContact N-O 2.89Å; Y2543-I2558 PolarHBondContact O-N 2.91Å |
| 2559 | C | 85.1 | Confident | 75.8 | Confident | 61.2 Ų | 61.2 | 66.8 Ų | 66.8 | 41% | 0.414 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 112.5 | 176.4 | -173.1 | 0 | 0 | 0 | 0 | 110.2 | G2541 | G2541-C2559 CarbonylContact O-C 3.49Å; G2541-C2559 WeakPolarHBondContact O-CA 3.34Å |
| 2560 | L | 80.8 | Confident | 75.9 | Confident | 7.2 Ų | 7.2 | 66.4 Ų | 66.4 | 4% | 0.038 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 125.9 | 175.8 | -98.9 | 163.1 | 0 | 0 | 0 | 109.6 | V2479 I2482 V2488 L2490 I2532 V2535 S2540 G2541 Y2543 | V2479-L2560 HydrophobicContact CB-CD2 4.48Å; V2479-L2560 HydrophobicContact CG2-CD2 3.73Å; I2482-L2560 HydrophobicContact CB-CD2 4.49Å; I2482-L2560 HydrophobicContact CD1-CD2 3.44Å; I2482-L2560 VanDerWaalsContact CD1-CD2 3.47Å; I2482-L2560 HydrophobicContact CD1-CG 3.91Å; V2488-L2560 HydrophobicContact CG1-CD1 4.14Å; V2488-L2560 HydrophobicContact CG1-CD2 4.12Å; V2488-L2560 HydrophobicContact CG2-CD2 4.46Å; L2490-L2560 HydrophobicContact CD1-CD1 4.15Å; L2490-L2560 HydrophobicContact CD2-CD1 4.21Å; L2490-L2560 HydrophobicContact CD2-CD2 4.14Å; L2490-L2560 HydrophobicContact CD2-CG 4.48Å; L2490-L2560 HydrophobicContact CG-CD1 4.39Å; I2532-L2560 HydrophobicContact CD1-CD1 4.19Å; V2535-L2560 HydrophobicContact CG1-CD2 4.48Å; V2535-L2560 HydrophobicContact CG2-CD2 4.5Å; S2540-L2560 WeakPolarHBondContact CA-O 3.39Å; G2541-L2560 PolarHBondContact N-O 2.92Å; G2541-L2560 PolarHBondContact O-N 2.97Å; Y2543-L2560 HydrophobicContact CD2-CB 4.23Å; Y2543-L2560 HydrophobicContact CD2-CD1 3.73Å; Y2543-L2560 HydrophobicContact CD2-CG 4.04Å; Y2543-L2560 HydrophobicContact CE2-CB 4.11Å; Y2543-L2560 HydrophobicContact CE2-CD1 3.49Å; Y2543-L2560 VanDerWaalsContact CE2-CD1 3.42Å; Y2543-L2560 HydrophobicContact CE2-CG 4.22Å; Y2543-L2560 HydrophobicContact CG-CD1 4.33Å |
| 2561 | R | 69.3 | Low | 76.3 | Confident | 182.2 Ų | 182.2 | 67.4 Ų | 67.4 | 69% | 0.688 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 105.9 | -179.7 | -64.7 | -177.1 | -174.4 | 173.3 | 4 | 110.5 | ||
| 2562 | N | 57 | Low | 76.6 | Confident | 25.6 Ų | 25.6 | 61.9 Ų | 61.9 | 14% | 0.137 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 139.6 | 170 | -166.9 | -22.5 | 0 | 0 | 0 | 110.2 | I2482 E2484 N2537 S2540 T2564 | I2482-N2562 WeakPolarHBondContact O-CA 3.33Å; I2482-N2562 PolarHBondContact O-OD1 3.06Å; E2484-N2562 VanDerWaalsContact CG-ND2 3.27Å; E2484-N2562 WeakPolarHBondContact CG-ND2 3.37Å; N2537-N2562 WeakPolarHBondContact CA-ND2 3.36Å; N2537-N2562 PolarHBondContact N-ND2 3.03Å; N2537-N2562 PolarHBondContact OD1-ND2 3.02Å; N2537-N2562 VanDerWaalsContact OD1-ND2 3.12Å; S2540-N2562 WeakPolarHBondContact OG-CB 3.42Å; S2540-N2562 PolarHBondContact OG-N 3.08Å; N2562-T2564 WeakPolarHBondContact OD1-CB 3.27Å; N2562-T2564 PolarHBondContact OD1-N 3.1Å; N2562-T2564 VanDerWaalsContact OD1-N 3.1Å; N2562-T2564 PolarHBondContact OD1-OG1 3.11Å; N2562-T2564 VanDerWaalsContact OD1-OG1 3.08Å |
| 2563 | T | 48.3 | Very low | 76.5 | Confident | 65 Ų | 65 | 63 Ų | 63 | 40% | 0.399 | 32% | 0.324 | S | S | . | . | trans | -110.6 | 28.1 | 179.2 | -32.4 | 0 | 0 | 0 | 0 | 111.7 | Q2481 I2482 S2565 | Q2481-T2563 HydrophobicContact CG-CG2 4.48Å; Q2481-T2563 VanDerWaalsContact NE2-CG2 3.29Å; Q2481-T2563 PolarHBondContact NE2-OG1 2.78Å; I2482-T2563 PolarHBondContact O-N 3.06Å; I2482-T2563 VanDerWaalsContact O-N 3.09Å; T2563-S2565 PolarHBondContact O-N 3.06Å; T2563-S2565 VanDerWaalsContact O-N 3.13Å | ||
| 2564 | T | 48.1 | Very low | 76.1 | Confident | 37 Ų | 37 | 61.6 Ų | 61.6 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | trans | -88.6 | 111.3 | 176.6 | -16.2 | 0 | 0 | 0 | 0 | 111 | E2484 N2537 N2562 L2566 V2596 P2597 | E2484-T2564 HydrophobicContact CB-CG2 4.3Å; E2484-T2564 HydrophobicContact CG-CG2 4.28Å; E2484-T2564 PolarHBondContact N-OG1 2.97Å; E2484-T2564 WeakPolarHBondContact OE2-CG2 3.29Å; N2537-T2564 WeakPolarHBondContact ND2-CG2 3.23Å; N2537-T2564 WeakPolarHBondContact OD1-CG2 3.39Å; N2537-T2564 PolarHBondContact OD1-OG1 3.12Å; N2562-T2564 WeakPolarHBondContact OD1-CB 3.27Å; N2562-T2564 PolarHBondContact OD1-N 3.1Å; N2562-T2564 VanDerWaalsContact OD1-N 3.1Å; N2562-T2564 PolarHBondContact OD1-OG1 3.11Å; N2562-T2564 VanDerWaalsContact OD1-OG1 3.08Å; T2564-L2566 VanDerWaalsContact C-N 3.32Å; T2564-L2566 PolarHBondContact O-N 2.94Å; T2564-V2596 HydrophobicContact CG2-CG1 3.6Å; T2564-P2597 HydrophobicContact CG2-CB 4.3Å | ||
| 2565 | S | 48.6 | Very low | 76.1 | Confident | 63.4 Ų | 63.4 | 65.1 Ų | 65.1 | 44% | 0.443 | 33% | 0.332 | S | S | . | . | trans | -89 | 130.9 | 171.7 | -84.7 | 0 | 0 | 0 | 0 | 109.7 | T2563 R2567 D2568 | T2563-S2565 PolarHBondContact O-N 3.06Å; T2563-S2565 VanDerWaalsContact O-N 3.13Å; S2565-R2567 PolarHBondContact O-N 3.06Å; S2565-R2567 PolarHBondContact OG-N 3Å; S2565-D2568 WeakPolarHBondContact CA-OD2 3.37Å; S2565-D2568 WeakPolarHBondContact CB-OD2 3.39Å; S2565-D2568 PolarHBondContact N-OD2 3Å; S2565-D2568 WeakPolarHBondContact O-CB 3.35Å; S2565-D2568 PolarHBondContact O-N 3.01Å; S2565-D2568 VanDerWaalsContact O-OD2 3.09Å | ||
| 2566 | L | 52.9 | Low | 76 | Confident | 87.8 Ų | 87.8 | 62.4 Ų | 62.4 | 46% | 0.46 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 9.7 | 166.6 | -81.1 | 153.1 | 0 | 0 | 0 | 113.8 | T2564 N2599 D2600 Y2652 | T2564-L2566 VanDerWaalsContact C-N 3.32Å; T2564-L2566 PolarHBondContact O-N 2.94Å; L2566-N2599 VanDerWaalsContact CD2-C 3.49Å; L2566-N2599 HydrophobicContact CD2-CB 4.21Å; L2566-N2599 VanDerWaalsContact CD2-O 3.27Å; L2566-N2599 WeakPolarHBondContact CD2-O 3.22Å; L2566-D2600 HydrophobicContact CD2-CB 4.26Å; L2566-Y2652 VanDerWaalsContact O-CE2 3.3Å; L2566-Y2652 WeakPolarHBondContact O-CE2 3.42Å |
| 2567 | R | 63.8 | Low | 75.8 | Confident | 178.4 Ų | 178.4 | 64.6 Ų | 64.6 | 67% | 0.673 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | 3.3 | 179.3 | -61.4 | -164.8 | 178.4 | -167.7 | 1.2 | 114.2 | K2159 S2565 Y2652 | K2159-R2567 PolarHBondContact O-NH2 3.17Å; S2565-R2567 PolarHBondContact O-N 3.06Å; S2565-R2567 PolarHBondContact OG-N 3Å; R2567-Y2652 VanDerWaalsContact C-CD2 3.49Å; R2567-Y2652 HydrophobicContact CB-CE1 4.27Å; R2567-Y2652 HydrophobicContact CB-CE2 4.24Å; R2567-Y2652 HydrophobicContact CG-CE1 4.49Å; R2567-Y2652 HydrophobicContact CG-CE2 4.38Å; R2567-Y2652 WeakPolarHBondContact CG-OH 3.43Å; R2567-Y2652 WeakPolarHBondContact O-CD1 3.32Å; R2567-Y2652 VanDerWaalsContact O-CD2 3.29Å; R2567-Y2652 WeakPolarHBondContact O-CD2 3.38Å |
| 2568 | D | 70.5 | Confident | 75.5 | Confident | 70.8 Ų | 70.8 | 64 Ų | 64 | 38% | 0.379 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -88.1 | 147.8 | -178 | -62.3 | -33.4 | 0 | 0 | 0 | 110.9 | S2565 N2650 | S2565-D2568 WeakPolarHBondContact CA-OD2 3.37Å; S2565-D2568 WeakPolarHBondContact CB-OD2 3.39Å; S2565-D2568 PolarHBondContact N-OD2 3Å; S2565-D2568 WeakPolarHBondContact O-CB 3.35Å; S2565-D2568 PolarHBondContact O-N 3.01Å; S2565-D2568 VanDerWaalsContact O-OD2 3.09Å; D2568-N2650 PolarHBondContact O-ND2 2.83Å |
| 2569 | P | 82.2 | Confident | 75.4 | Confident | 70 Ų | 70 | 67.2 Ų | 67.2 | 46% | 0.455 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 152.2 | 169.6 | 28.6 | -34.6 | 0 | 0 | 0 | 109.8 | H2571 | P2569-H2571 PolarHBondContact O-N 3.23Š|
| 2570 | P | 88 | Confident | 75.5 | Confident | 4.8 Ų | 4.8 | 66.1 Ų | 66.1 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 143.7 | 178.7 | 30.8 | -33.7 | 0 | 0 | 0 | 109 | V2595 V2596 L2603 A2648 N2650 G2653 D2655 | P2570-V2595 HydrophobicContact CB-CG2 4.21Å; P2570-V2596 CarbonylContact C-O 3.53Å; P2570-V2596 VanDerWaalsContact CA-O 3.29Å; P2570-V2596 WeakPolarHBondContact CA-O 3.29Å; P2570-L2603 HydrophobicContact CB-CD1 3.72Å; P2570-L2603 HydrophobicContact CG-CD1 4.49Å; P2570-A2648 HydrophobicContact CB-CB 3.9Å; P2570-A2648 HydrophobicContact CG-CB 4.29Å; P2570-A2648 WeakPolarHBondContact CG-O 3.33Å; P2570-N2650 VanDerWaalsContact CD-OD1 3.28Å; P2570-N2650 WeakPolarHBondContact CD-OD1 3.36Å; P2570-G2653 VanDerWaalsContact CD-C 3.43Å; P2570-G2653 VanDerWaalsContact CD-O 3.3Å; P2570-G2653 WeakPolarHBondContact CD-O 3.27Å; P2570-G2653 WeakPolarHBondContact CG-O 3.38Å; P2570-D2655 HydrophobicContact CG-CB 4.46Å; P2570-D2655 WeakPolarHBondContact O-CB 3.43Å |
| 2571 | H | 87.6 | Confident | 75 | Confident | 105.4 Ų | 105.4 | 67.7 Ų | 67.7 | 49% | 0.488 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 133.3 | 176.4 | 178.6 | 48 | 0 | 0 | 0 | 110.5 | P2569 S2573 V2595 V2596 D2655 | P2569-H2571 PolarHBondContact O-N 3.23Å; H2571-S2573 PolarHBondContact O-N 3.16Å; H2571-V2595 WeakPolarHBondContact O-CA 3.35Å; H2571-V2596 HydrophobicContact CB-CG2 4.18Å; H2571-V2596 PolarHBondContact N-O 3.13Å; H2571-V2596 VanDerWaalsContact O-CG2 3.26Å; H2571-V2596 WeakPolarHBondContact O-CG2 3.42Å; H2571-V2596 PolarHBondContact O-N 3.06Å; H2571-D2655 VanDerWaalsContact CA-OD2 3.28Å; H2571-D2655 WeakPolarHBondContact CA-OD2 3.28Å; H2571-D2655 IonicContact CG-OD2 3.88Å; H2571-D2655 IonicContact ND1-OD2 3.39Å; H2571-D2655 PolarHBondContact ND1-OD2 3.13Å; H2571-D2655 VanDerWaalsContact ND1-OD2 3.1Å |
| 2572 | F | 89.5 | Confident | 75.4 | Confident | 1.6 Ų | 1.6 | 66.8 Ų | 66.8 | 1% | 0.007 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 101.9 | 173.9 | -74.4 | -79.8 | 0 | 0 | 0 | 111.4 | I2574 Q2575 C2593 R2594 V2595 C2646 A2648 D2655 T2657 | F2572-I2574 VanDerWaalsContact C-N 3.33Å; F2572-Q2575 VanDerWaalsContact CB-NE2 3.26Å; F2572-Q2575 PolarHBondContact O-NE2 3.08Å; F2572-C2593 HydrophobicContact CD1-CB 4.16Å; F2572-C2593 HydrophobicContact CE1-CB 4.42Å; F2572-R2594 CarbonylContact C-O 3.5Å; F2572-R2594 VanDerWaalsContact C-O 3.31Å; F2572-R2594 WeakPolarHBondContact CA-O 3.41Å; F2572-R2594 WeakPolarHBondContact CD1-O 3.31Å; F2572-V2595 HydrophobicContact CD1-CB 4.03Å; F2572-V2595 HydrophobicContact CD1-CG2 4.47Å; F2572-V2595 HydrophobicContact CE1-CB 3.99Å; F2572-V2595 HydrophobicContact CE1-CG2 4.42Å; F2572-C2646 HydrophobicContact CE1-CB 4.37Å; F2572-C2646 WeakPolarHBondContact CE2-O 3.26Å; F2572-C2646 HydrophobicContact CZ-CB 4.14Å; F2572-C2646 VanDerWaalsContact CZ-O 3.27Å; F2572-C2646 WeakPolarHBondContact CZ-O 3.26Å; F2572-A2648 HydrophobicContact CE2-CB 3.9Å; F2572-A2648 HydrophobicContact CZ-CB 3.75Å; F2572-D2655 HydrophobicContact CD2-CB 4.13Å; F2572-D2655 HydrophobicContact CE2-CB 4.41Å; F2572-D2655 WeakPolarHBondContact CE2-O 3.36Å; F2572-D2655 PolarHBondContact N-OD2 3.05Å; F2572-T2657 HydrophobicContact CD1-CG2 3.66Å; F2572-T2657 HydrophobicContact CD2-CG2 3.91Å; F2572-T2657 HydrophobicContact CE1-CG2 3.67Å; F2572-T2657 HydrophobicContact CE2-CG2 3.91Å; F2572-T2657 HydrophobicContact CG-CG2 3.8Å; F2572-T2657 HydrophobicContact CZ-CG2 3.8Å |
| 2573 | S | 83.5 | Confident | 76.7 | Confident | 51.8 Ų | 51.8 | 66.3 Ų | 66.3 | 36% | 0.362 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | -30.8 | 176 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | H2571 R2594 V2596 | H2571-S2573 PolarHBondContact O-N 3.16Å; S2573-R2594 PolarHBondContact N-O 3.08Å; S2573-R2594 WeakPolarHBondContact OG-CB 3.21Å; S2573-R2594 PolarHBondContact OG-O 2.91Å; S2573-V2596 WeakPolarHBondContact OG-CG2 3.34Å |
| 2574 | I | 84.1 | Confident | 78.4 | Confident | 76.6 Ų | 76.6 | 68.6 Ų | 68.6 | 39% | 0.393 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 117.4 | 166.3 | -57.5 | -175.4 | 0 | 0 | 0 | 107.8 | F2572 C2593 R2594 | F2572-I2574 VanDerWaalsContact C-N 3.33Å; I2574-C2593 CarbonylContact O-C 3.58Å; I2574-C2593 VanDerWaalsContact O-CA 3.31Å; I2574-C2593 WeakPolarHBondContact O-CA 3.36Å; I2574-C2593 VanDerWaalsContact O-CB 3.24Å; I2574-C2593 WeakPolarHBondContact O-CB 3.35Å; I2574-R2594 HydrophobicContact CB-CB 3.92Å; I2574-R2594 HydrophobicContact CB-CG 4.14Å; I2574-R2594 HydrophobicContact CD1-CB 4.37Å; I2574-R2594 HydrophobicContact CD1-CG 3.94Å; I2574-R2594 HydrophobicContact CG1-CB 4.07Å; I2574-R2594 HydrophobicContact CG1-CG 4.16Å; I2574-R2594 PolarHBondContact N-O 3.06Å; I2574-R2594 PolarHBondContact O-N 3.01Å |
| 2575 | Q | 90.5 | Very high | 80 | Confident | 90.2 Ų | 90.2 | 67.9 Ų | 67.9 | 42% | 0.421 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 153.2 | 179.7 | -60.7 | -73.9 | -22.8 | 0 | 0 | 110.6 | F2572 T2657 | F2572-Q2575 VanDerWaalsContact CB-NE2 3.26Å; F2572-Q2575 PolarHBondContact O-NE2 3.08Å; Q2575-T2657 WeakPolarHBondContact CA-OG1 3.48Å; Q2575-T2657 PolarHBondContact OE1-OG1 3.12Å |
| 2576 | L | 90.5 | Very high | 81.3 | Confident | 10.4 Ų | 10.4 | 66.7 Ų | 66.7 | 5% | 0.054 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 149.8 | 168.7 | -71 | 171.9 | 0 | 0 | 0 | 110.9 | A2578 L2591 E2592 C2593 W2607 C2646 T2657 C2659 | L2576-A2578 PolarHBondContact O-N 3.15Å; L2576-L2591 HydrophobicContact CD2-CB 3.96Å; L2576-L2591 HydrophobicContact CD2-CD2 4.37Å; L2576-E2592 WeakPolarHBondContact CD2-O 3.36Å; L2576-C2593 HydrophobicContact CD2-CB 4Å; L2576-C2593 HydrophobicContact CG-CB 4.01Å; L2576-W2607 HydrophobicContact CD1-CH2 3.79Å; L2576-W2607 HydrophobicContact CD1-CZ3 3.76Å; L2576-W2607 HydrophobicContact CD2-CH2 3.95Å; L2576-W2607 HydrophobicContact CD2-CZ3 4.49Å; L2576-W2607 HydrophobicContact CG-CH2 4.43Å; L2576-C2646 HydrophobicContact CD1-CB 4.31Å; L2576-T2657 HydrophobicContact CB-CG2 4.37Å; L2576-T2657 WeakPolarHBondContact CB-OG1 3.47Å; L2576-T2657 HydrophobicContact CD1-CG2 3.85Å; L2576-T2657 HydrophobicContact CG-CG2 3.75Å; L2576-T2657 PolarHBondContact N-OG1 3.09Å; L2576-C2659 HydrophobicContact CB-CB 4.02Å; L2576-C2659 HydrophobicContact CD1-CB 4.22Å |
| 2577 | P | 87.9 | Confident | 82.8 | Confident | 60 Ų | 60 | 65.3 Ų | 65.3 | 39% | 0.39 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 135.1 | 171.1 | 23.9 | -32.2 | 0 | 0 | 0 | 110.5 | T2579 I2580 C2659 | P2577-T2579 VanDerWaalsContact C-N 3.29Å; P2577-T2579 PolarHBondContact O-N 3.09Å; P2577-T2579 VanDerWaalsContact O-N 3.12Å; P2577-I2580 HydrophobicContact CB-CG1 4.48Å; P2577-I2580 HydrophobicContact CG-CD1 4.16Å; P2577-I2580 HydrophobicContact CG-CG1 4.2Å; P2577-C2659 VanDerWaalsContact O-CA 3.31Å; P2577-C2659 WeakPolarHBondContact O-CA 3.26Å; P2577-C2659 WeakPolarHBondContact O-CB 3.35Å; P2577-C2659 PolarHBondContact O-SG 2.97Å; P2577-C2659 VanDerWaalsContact O-SG 3.35Å |
| 2578 | A | 87.2 | Confident | 84 | Confident | 79.8 Ų | 79.8 | 61.5 Ų | 61.5 | 66% | 0.66 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -60.8 | -33.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L2576 K2660 | L2576-A2578 PolarHBondContact O-N 3.15Å; A2578-K2660 PolarHBondContact O-N 3.17Å; A2578-K2660 VanDerWaalsContact O-N 3.15Å |
| 2579 | T | 87.3 | Confident | 85 | Confident | 82 Ų | 82 | 58.5 Ų | 58.5 | 50% | 0.503 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 138.9 | 178.2 | -62.3 | 0 | 0 | 0 | 0 | 110.3 | P2577 K2660 | P2577-T2579 VanDerWaalsContact C-N 3.29Å; P2577-T2579 PolarHBondContact O-N 3.09Å; P2577-T2579 VanDerWaalsContact O-N 3.12Å; T2579-K2660 CarbonylContact C-O 3.49Å; T2579-K2660 VanDerWaalsContact CA-O 3.27Å; T2579-K2660 WeakPolarHBondContact CA-O 3.26Å; T2579-K2660 HydrophobicContact CG2-CB 4.42Å; T2579-K2660 WeakPolarHBondContact CG2-O 3.4Å |
| 2580 | I | 87.1 | Confident | 85.5 | Confident | 37.2 Ų | 37.2 | 59.3 Ų | 59.3 | 19% | 0.191 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 108.4 | 167.3 | -62.4 | 174.8 | 0 | 0 | 0 | 107 | P2577 V2583 V2589 L2591 K2660 L2661 T2662 | P2577-I2580 HydrophobicContact CB-CG1 4.48Å; P2577-I2580 HydrophobicContact CG-CD1 4.16Å; P2577-I2580 HydrophobicContact CG-CG1 4.2Å; I2580-V2583 HydrophobicContact CG2-CG2 3.67Å; I2580-V2589 HydrophobicContact CD1-CG1 4.35Å; I2580-L2591 HydrophobicContact CD1-CD2 3.56Å; I2580-K2660 PolarHBondContact N-O 3.06Å; I2580-L2661 HydrophobicContact CB-CD1 3.94Å; I2580-L2661 HydrophobicContact CG2-CD1 3.86Å; I2580-T2662 PolarHBondContact O-N 3.01Å; I2580-T2662 PolarHBondContact O-OG1 2.99Å; I2580-T2662 VanDerWaalsContact O-OG1 3.05Å |
| 2581 | G | 72 | Confident | 85.6 | Confident | 41.2 Ų | 41.2 | 59.1 Ų | 59.1 | 43% | 0.425 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 167.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V2583 T2662 | G2581-V2583 PolarHBondContact O-N 3.12Å; G2581-T2662 VanDerWaalsContact CA-OG1 3.26Å; G2581-T2662 WeakPolarHBondContact CA-OG1 3.38Å |
| 2582 | E | 77.1 | Confident | 85.9 | Confident | 164.2 Ų | 164.2 | 58.5 Ų | 58.5 | 77% | 0.767 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 84.4 | 11 | 177.7 | -53.3 | -156.9 | 149.6 | 0 | 0 | 117.6 | K2584 K3339 E3418 | E2582-K2584 PolarHBondContact O-N 3.03Å; E2582-K3339 IonicContact OE1-NZ 2.73Å; E2582-K3339 PolarHBondContact OE1-NZ 2.86Å; E2582-K3339 IonicContact OE2-NZ 3.31Å; E2582-K3339 PolarHBondContact OE2-NZ 2.9Å; E2582-E3418 HydrophobicContact CG-CB 3.89Å |
| 2583 | V | 84.5 | Confident | 85.9 | Confident | 15.6 Ų | 15.6 | 58.5 Ų | 58.5 | 10% | 0.095 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 127.3 | 174.6 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | I2580 G2581 D2587 V2589 A2636 L2661 V2663 S2664 | I2580-V2583 HydrophobicContact CG2-CG2 3.67Å; G2581-V2583 PolarHBondContact O-N 3.12Å; V2583-D2587 HydrophobicContact CG1-CB 3.95Å; V2583-V2589 HydrophobicContact CB-CG2 4.38Å; V2583-V2589 HydrophobicContact CG1-CG2 3.6Å; V2583-V2589 VanDerWaalsContact CG1-CG2 3.48Å; V2583-V2589 HydrophobicContact CG2-CG2 3.99Å; V2583-A2636 HydrophobicContact CG1-CB 3.97Å; V2583-L2661 HydrophobicContact CB-CD1 4.46Å; V2583-L2661 HydrophobicContact CG2-CD1 3.86Å; V2583-V2663 HydrophobicContact CB-CG2 4.38Å; V2583-V2663 HydrophobicContact CG1-CG1 4.25Å; V2583-V2663 HydrophobicContact CG1-CG2 4.26Å; V2583-V2663 CarbonylContact O-C 3.53Å; V2583-V2663 WeakPolarHBondContact O-CA 3.29Å; V2583-S2664 PolarHBondContact O-N 3.28Å; V2583-S2664 PolarHBondContact O-OG 2.97Å; V2583-S2664 VanDerWaalsContact O-OG 3.12Å |
| 2584 | K | 82.7 | Confident | 86.1 | Confident | 112.2 Ų | 112.2 | 59.4 Ų | 59.4 | 49% | 0.488 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 149.8 | 173.3 | -59.7 | 173.1 | -175.5 | 167.9 | 0 | 109.7 | E2358 E2582 G2586 D2587 S2664 D3303 | E2358-K2584 IonicContact OE2-NZ 3.92Å; E2582-K2584 PolarHBondContact O-N 3.03Å; K2584-G2586 PolarHBondContact O-N 2.93Å; K2584-G2586 VanDerWaalsContact O-N 3.14Å; K2584-D2587 WeakPolarHBondContact CA-OD2 3.37Å; K2584-D2587 VanDerWaalsContact CB-OD2 3.28Å; K2584-D2587 WeakPolarHBondContact CB-OD2 3.35Å; K2584-D2587 PolarHBondContact N-OD2 2.93Å; K2584-D2587 VanDerWaalsContact O-CB 3.27Å; K2584-D2587 WeakPolarHBondContact O-CB 3.3Å; K2584-D2587 VanDerWaalsContact O-CG 3.28Å; K2584-D2587 PolarHBondContact O-N 2.89Å; K2584-S2664 WeakPolarHBondContact CA-OG 3.3Å; K2584-D3303 IonicContact NZ-OD2 3.48Å; K2584-D3303 PolarHBondContact NZ-OD2 2.66Å |
| 2585 | E | 81.5 | Confident | 86.3 | Confident | 23.2 Ų | 23.2 | 55.8 Ų | 55.8 | 11% | 0.108 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 121.5 | 175.8 | -178.8 | 167.7 | -150 | 0 | 0 | 112.2 | A2636 Y2637 A2638 V2663 S2664 A2665 K2666 L2669 L2671 | E2585-A2636 CarbonylContact C-O 3.47Å; E2585-A2636 WeakPolarHBondContact CA-O 3.39Å; E2585-Y2637 HydrophobicContact CG-CD1 4.26Å; E2585-A2638 PolarHBondContact OE1-N 2.88Å; E2585-V2663 HydrophobicContact CB-CG1 4.49Å; E2585-S2664 WeakPolarHBondContact CB-O 3.33Å; E2585-S2664 PolarHBondContact N-O 2.87Å; E2585-S2664 VanDerWaalsContact N-O 3.09Å; E2585-A2665 WeakPolarHBondContact OE2-CA 3.5Å; E2585-K2666 HydrophobicContact CB-CB 4.31Å; E2585-K2666 HydrophobicContact CB-CD 4.32Å; E2585-K2666 HydrophobicContact CB-CG 4.29Å; E2585-K2666 VanDerWaalsContact O-CE 3.28Å; E2585-K2666 WeakPolarHBondContact O-CE 3.43Å; E2585-K2666 PolarHBondContact O-NZ 2.88Å; E2585-K2666 PolarHBondContact OE2-N 2.9Å; E2585-L2669 HydrophobicContact CG-CD1 4.14Å; E2585-L2671 HydrophobicContact CG-CD1 3.74Å; E2585-L2671 WeakPolarHBondContact OE1-CB 3.1Å; E2585-L2671 WeakPolarHBondContact OE1-CD1 3.43Å; E2585-L2671 WeakPolarHBondContact OE2-CD1 3.3Å |
| 2586 | G | 77.6 | Confident | 85.9 | Confident | 37.8 Ų | 37.8 | 52.5 Ų | 52.5 | 39% | 0.39 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.7 | -15.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K2584 Y2635 A2636 | K2584-G2586 PolarHBondContact O-N 2.93Å; K2584-G2586 VanDerWaalsContact O-N 3.14Å; G2586-Y2635 WeakPolarHBondContact O-CB 3.21Å; G2586-A2636 PolarHBondContact N-O 3.16Å |
| 2587 | D | 83.8 | Confident | 85.2 | Confident | 59 Ų | 59 | 52.4 Ų | 52.4 | 32% | 0.316 | 30% | 0.301 | S | S | . | . | trans | -72.8 | 146.5 | -178.8 | -64.4 | -11.5 | 0 | 0 | 0 | 111.2 | V2583 K2584 Y2635 A2636 | V2583-D2587 HydrophobicContact CG1-CB 3.95Å; K2584-D2587 WeakPolarHBondContact CA-OD2 3.37Å; K2584-D2587 VanDerWaalsContact CB-OD2 3.28Å; K2584-D2587 WeakPolarHBondContact CB-OD2 3.35Å; K2584-D2587 PolarHBondContact N-OD2 2.93Å; K2584-D2587 VanDerWaalsContact O-CB 3.27Å; K2584-D2587 WeakPolarHBondContact O-CB 3.3Å; K2584-D2587 VanDerWaalsContact O-CG 3.28Å; K2584-D2587 PolarHBondContact O-N 2.89Å; D2587-Y2635 CarbonylContact O-C 3.5Å; D2587-Y2635 WeakPolarHBondContact O-CA 3.33Å; D2587-A2636 WeakPolarHBondContact O-CB 3.39Å; D2587-A2636 PolarHBondContact O-N 2.75Å | ||
| 2588 | P | 89.7 | Confident | 84.4 | Confident | 97.6 Ų | 97.6 | 51.2 Ų | 51.2 | 63% | 0.634 | 29% | 0.291 | S | S | * | . | trans | -74.6 | 147.2 | 171.8 | 31.5 | -34 | 0 | 0 | 0 | 111.2 | I2633 | P2588-I2633 CarbonylContact C-O 3.56Å; P2588-I2633 VanDerWaalsContact CA-O 3.24Å; P2588-I2633 WeakPolarHBondContact CA-O 3.44Å | ||
| 2589 | V | 90.3 | Very high | 83.3 | Confident | 8.8 Ų | 8.8 | 51.4 Ų | 51.4 | 5% | 0.053 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 132.7 | 176.9 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | I2580 V2583 L2591 E2632 I2633 A2636 L2661 | I2580-V2589 HydrophobicContact CD1-CG1 4.35Å; V2583-V2589 HydrophobicContact CB-CG2 4.38Å; V2583-V2589 HydrophobicContact CG1-CG2 3.6Å; V2583-V2589 VanDerWaalsContact CG1-CG2 3.48Å; V2583-V2589 HydrophobicContact CG2-CG2 3.99Å; V2589-L2591 HydrophobicContact CG1-CG 4.44Å; V2589-E2632 CarbonylContact O-C 3.56Å; V2589-E2632 WeakPolarHBondContact O-CA 3.34Å; V2589-I2633 HydrophobicContact CB-CB 4.05Å; V2589-I2633 HydrophobicContact CB-CD1 4.11Å; V2589-I2633 HydrophobicContact CB-CG1 4.2Å; V2589-I2633 HydrophobicContact CG1-CD1 4.38Å; V2589-I2633 PolarHBondContact N-O 3.29Å; V2589-I2633 PolarHBondContact O-N 3.04Å; V2589-A2636 HydrophobicContact CG2-CB 3.92Å; V2589-L2661 HydrophobicContact CG1-CD1 3.97Å; V2589-L2661 HydrophobicContact CG1-CD2 4.33Å; V2589-L2661 HydrophobicContact CG2-CD1 4.2Å; V2589-L2661 HydrophobicContact CG2-CD2 4.35Å |
| 2590 | H | 92.2 | Very high | 82.7 | Confident | 85.6 Ų | 85.6 | 48 Ų | 48 | 40% | 0.396 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 127.8 | 176.8 | -179.5 | 70.3 | 0 | 0 | 0 | 110.1 | E2592 | H2590-E2592 IonicContact CD2-OE2 2.98Å; H2590-E2592 IonicContact CE1-OE2 3.2Å; H2590-E2592 IonicContact NE2-OE2 3.07Å; H2590-E2592 PolarHBondContact NE2-OE2 3.18Å |
| 2591 | L | 91.6 | Very high | 81.9 | Confident | 0.8 Ų | 0.8 | 51 Ų | 51 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 124.4 | 177 | -68.2 | 170.3 | 0 | 0 | 0 | 108.2 | L2576 I2580 V2589 W2607 S2630 L2631 F2644 C2659 | L2576-L2591 HydrophobicContact CD2-CB 3.96Å; L2576-L2591 HydrophobicContact CD2-CD2 4.37Å; I2580-L2591 HydrophobicContact CD1-CD2 3.56Å; V2589-L2591 HydrophobicContact CG1-CG 4.44Å; L2591-W2607 HydrophobicContact CB-CH2 3.93Å; L2591-W2607 HydrophobicContact CB-CZ3 4.39Å; L2591-W2607 HydrophobicContact CD1-CH2 4.45Å; L2591-W2607 HydrophobicContact CD1-CZ3 4.16Å; L2591-S2630 CarbonylContact O-C 3.33Å; L2591-S2630 WeakPolarHBondContact O-CA 3.31Å; L2591-S2630 VanDerWaalsContact O-CB 3.23Å; L2591-S2630 WeakPolarHBondContact O-CB 3.26Å; L2591-L2631 HydrophobicContact CB-CB 4.27Å; L2591-L2631 HydrophobicContact CD1-CD2 4.05Å; L2591-L2631 HydrophobicContact CD1-CG 4.43Å; L2591-L2631 PolarHBondContact N-O 2.84Å; L2591-L2631 PolarHBondContact O-N 2.99Å; L2591-F2644 HydrophobicContact CD1-CB 3.88Å; L2591-F2644 HydrophobicContact CD1-CD1 4.37Å; L2591-F2644 HydrophobicContact CD1-CD2 4.29Å; L2591-F2644 HydrophobicContact CD1-CG 3.93Å; L2591-C2659 HydrophobicContact CD2-CB 3.82Å; L2591-C2659 VanDerWaalsContact CD2-SG 3.57Å |
| 2592 | E | 92.6 | Very high | 82.1 | Confident | 92.8 Ų | 92.8 | 54.5 Ų | 54.5 | 43% | 0.434 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 142.8 | 179.2 | 62.5 | 178.3 | -147.6 | 0 | 0 | 112.7 | L2576 H2590 F2628 V2629 | L2576-E2592 WeakPolarHBondContact CD2-O 3.36Å; H2590-E2592 IonicContact CD2-OE2 2.98Å; H2590-E2592 IonicContact CE1-OE2 3.2Å; H2590-E2592 IonicContact NE2-OE2 3.07Å; H2590-E2592 PolarHBondContact NE2-OE2 3.18Å; E2592-F2628 HydrophobicContact CB-CE2 4.09Å; E2592-F2628 HydrophobicContact CB-CZ 4.26Å; E2592-V2629 WeakPolarHBondContact CA-O 3.33Å |
| 2593 | C | 90.4 | Very high | 82.4 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 167.8 | 177.1 | 56.6 | 0 | 0 | 0 | 0 | 109.8 | F2572 I2574 L2576 V2629 T2657 | F2572-C2593 HydrophobicContact CD1-CB 4.16Å; F2572-C2593 HydrophobicContact CE1-CB 4.42Å; I2574-C2593 CarbonylContact O-C 3.58Å; I2574-C2593 VanDerWaalsContact O-CA 3.31Å; I2574-C2593 WeakPolarHBondContact O-CA 3.36Å; I2574-C2593 VanDerWaalsContact O-CB 3.24Å; I2574-C2593 WeakPolarHBondContact O-CB 3.35Å; L2576-C2593 HydrophobicContact CD2-CB 4Å; L2576-C2593 HydrophobicContact CG-CB 4.01Å; C2593-V2629 PolarHBondContact N-O 3.1Å; C2593-V2629 PolarHBondContact O-N 3.12Å; C2593-V2629 VanDerWaalsContact O-O 3.09Å; C2593-T2657 HydrophobicContact CB-CG2 4.04Å |
| 2594 | R | 88.4 | Confident | 82.4 | Confident | 71.4 Ų | 71.4 | 50 Ų | 50 | 27% | 0.269 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.3 | 175.5 | -64.4 | -168.6 | -178.2 | -159.4 | -0.2 | 111.6 | G2485 Y2534 F2572 S2573 I2574 G2627 F2628 | G2485-R2594 PolarHBondContact O-NH1 2.91Å; G2485-R2594 VanDerWaalsContact O-NH1 3.07Å; Y2534-R2594 VanDerWaalsContact CD1-CZ 3.41Å; Y2534-R2594 VanDerWaalsContact CE1-CZ 3.43Å; Y2534-R2594 VanDerWaalsContact CE1-NH1 3.28Å; Y2534-R2594 VanDerWaalsContact CZ-NH2 3.29Å; Y2534-R2594 PolarHBondContact OH-NH2 3.14Å; F2572-R2594 CarbonylContact C-O 3.5Å; F2572-R2594 VanDerWaalsContact C-O 3.31Å; F2572-R2594 WeakPolarHBondContact CA-O 3.41Å; F2572-R2594 WeakPolarHBondContact CD1-O 3.31Å; S2573-R2594 PolarHBondContact N-O 3.08Å; S2573-R2594 WeakPolarHBondContact OG-CB 3.21Å; S2573-R2594 PolarHBondContact OG-O 2.91Å; I2574-R2594 HydrophobicContact CB-CB 3.92Å; I2574-R2594 HydrophobicContact CB-CG 4.14Å; I2574-R2594 HydrophobicContact CD1-CB 4.37Å; I2574-R2594 HydrophobicContact CD1-CG 3.94Å; I2574-R2594 HydrophobicContact CG1-CB 4.07Å; I2574-R2594 HydrophobicContact CG1-CG 4.16Å; I2574-R2594 PolarHBondContact N-O 3.06Å; I2574-R2594 PolarHBondContact O-N 3.01Å; R2594-G2627 CarbonylContact C-O 3.49Å; R2594-G2627 VanDerWaalsContact CA-O 3.26Å; R2594-G2627 WeakPolarHBondContact CA-O 3.3Å; R2594-F2628 HydrophobicContact CG-CD2 4.44Å |
| 2595 | V | 87.7 | Confident | 82.8 | Confident | 0.8 Ų | 0.8 | 47.3 Ų | 47.3 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 139.6 | -178.7 | 63.3 | 0 | 0 | 0 | 0 | 110.8 | P2570 H2571 F2572 L2603 L2605 G2627 V2629 A2648 | P2570-V2595 HydrophobicContact CB-CG2 4.21Å; H2571-V2595 WeakPolarHBondContact O-CA 3.35Å; F2572-V2595 HydrophobicContact CD1-CB 4.03Å; F2572-V2595 HydrophobicContact CD1-CG2 4.47Å; F2572-V2595 HydrophobicContact CE1-CB 3.99Å; F2572-V2595 HydrophobicContact CE1-CG2 4.42Å; V2595-L2603 HydrophobicContact CG1-CD2 3.84Å; V2595-L2603 HydrophobicContact CG2-CD1 4.29Å; V2595-L2603 HydrophobicContact CG2-CD2 4.24Å; V2595-L2605 HydrophobicContact CG1-CD1 4.43Å; V2595-L2605 HydrophobicContact CG1-CD2 4.24Å; V2595-G2627 PolarHBondContact N-O 3.09Å; V2595-G2627 VanDerWaalsContact O-CA 3.22Å; V2595-G2627 WeakPolarHBondContact O-CA 3.37Å; V2595-V2629 HydrophobicContact CG1-CG2 3.89Å; V2595-A2648 HydrophobicContact CB-CB 4.49Å; V2595-A2648 HydrophobicContact CG2-CB 3.65Å |
| 2596 | V | 81.4 | Confident | 83.2 | Confident | 20.4 Ų | 20.4 | 50 Ų | 50 | 12% | 0.124 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 147.9 | 174.5 | -144.3 | 0 | 0 | 0 | 0 | 108.1 | E2484 T2564 P2570 H2571 S2573 I2598 | E2484-V2596 HydrophobicContact CB-CG1 3.88Å; E2484-V2596 HydrophobicContact CB-CG2 4.16Å; E2484-V2596 HydrophobicContact CG-CG1 4.44Å; E2484-V2596 WeakPolarHBondContact O-CG1 3.26Å; E2484-V2596 VanDerWaalsContact O-CG2 3.31Å; E2484-V2596 WeakPolarHBondContact O-CG2 3.36Å; T2564-V2596 HydrophobicContact CG2-CG1 3.6Å; P2570-V2596 CarbonylContact C-O 3.53Å; P2570-V2596 VanDerWaalsContact CA-O 3.29Å; P2570-V2596 WeakPolarHBondContact CA-O 3.29Å; H2571-V2596 HydrophobicContact CB-CG2 4.18Å; H2571-V2596 PolarHBondContact N-O 3.13Å; H2571-V2596 VanDerWaalsContact O-CG2 3.26Å; H2571-V2596 WeakPolarHBondContact O-CG2 3.42Å; H2571-V2596 PolarHBondContact O-N 3.06Å; S2573-V2596 WeakPolarHBondContact OG-CG2 3.34Å; V2596-I2598 HydrophobicContact CG1-CD1 4.04Å; V2596-I2598 HydrophobicContact CG1-CG1 3.96Å; V2596-I2598 HydrophobicContact CG2-CG1 4.42Å |
| 2597 | P | 76.6 | Confident | 83.8 | Confident | 8.4 Ų | 8.4 | 48.6 Ų | 48.6 | 6% | 0.055 | 26% | 0.259 | C | S | . | . | cis | -70.4 | 139.9 | 0.2 | 28.4 | -34.8 | 0 | 0 | 0 | 113.5 | E2484 T2564 N2599 D2600 | E2484-P2597 WeakPolarHBondContact OE2-CA 3.46Å; T2564-P2597 HydrophobicContact CG2-CB 4.3Å; P2597-N2599 VanDerWaalsContact C-N 3.33Å; P2597-N2599 PolarHBondContact O-N 3.13Å; P2597-D2600 HydrophobicContact CB-CB 4.4Å; P2597-D2600 HydrophobicContact CG-CB 3.83Å | ||
| 2598 | I | 71.3 | Confident | 84.2 | Confident | 35.4 Ų | 35.4 | 46.7 Ų | 46.7 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -24.7 | -176.6 | -66.5 | 169.6 | 0 | 0 | 0 | 111 | E2484 I2536 V2596 F2626 | E2484-I2598 HydrophobicContact CB-CD1 4.27Å; E2484-I2598 HydrophobicContact CB-CG1 4.25Å; E2484-I2598 WeakPolarHBondContact O-CD1 3.5Å; E2484-I2598 PolarHBondContact OE2-N 2.94Å; I2536-I2598 HydrophobicContact CG2-CD1 4.24Å; V2596-I2598 HydrophobicContact CG1-CD1 4.04Å; V2596-I2598 HydrophobicContact CG1-CG1 3.96Å; V2596-I2598 HydrophobicContact CG2-CG1 4.42Å; I2598-F2626 VanDerWaalsContact CG2-C 3.46Å; I2598-F2626 HydrophobicContact CG2-CB 4.14Å; I2598-F2626 WeakPolarHBondContact CG2-O 3.44Å |
| 2599 | N | 63.9 | Low | 84.3 | Confident | 83.2 Ų | 83.2 | 44.2 Ų | 44.2 | 45% | 0.445 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 21.6 | -173.4 | -67.7 | -45.7 | 0 | 0 | 0 | 114.7 | L2566 P2597 P2601 D3560 | L2566-N2599 VanDerWaalsContact CD2-C 3.49Å; L2566-N2599 HydrophobicContact CD2-CB 4.21Å; L2566-N2599 VanDerWaalsContact CD2-O 3.27Å; L2566-N2599 WeakPolarHBondContact CD2-O 3.22Å; P2597-N2599 VanDerWaalsContact C-N 3.33Å; P2597-N2599 PolarHBondContact O-N 3.13Å; N2599-P2601 VanDerWaalsContact O-CD 3.23Å; N2599-P2601 WeakPolarHBondContact O-CD 3.18Å; N2599-D3560 PolarHBondContact ND2-OD2 3.08Å; N2599-D3560 VanDerWaalsContact OD1-CG 3.32Å; N2599-D3560 PolarHBondContact OD1-N 3.38Å; N2599-D3560 PolarHBondContact OD1-OD1 3.32Å; N2599-D3560 PolarHBondContact OD1-OD2 3.18Å |
| 2600 | D | 73.8 | Confident | 84.2 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.064 | 25% | 0.247 | C | C | . | . | trans | -80 | 110.7 | 174.2 | -179.1 | -2.5 | 0 | 0 | 0 | 110.9 | L2566 P2597 K2602 L2603 N2650 | L2566-D2600 HydrophobicContact CD2-CB 4.26Å; P2597-D2600 HydrophobicContact CB-CB 4.4Å; P2597-D2600 HydrophobicContact CG-CB 3.83Å; D2600-K2602 PolarHBondContact O-N 2.82Å; D2600-K2602 VanDerWaalsContact O-N 3.11Å; D2600-K2602 WeakPolarHBondContact OD1-CA 3.44Å; D2600-K2602 WeakPolarHBondContact OD1-CB 3.18Å; D2600-K2602 PolarHBondContact OD1-N 2.98Å; D2600-L2603 HydrophobicContact CB-CB 4.17Å; D2600-L2603 VanDerWaalsContact O-CB 3.27Å; D2600-L2603 WeakPolarHBondContact O-CB 3.26Å; D2600-L2603 PolarHBondContact O-N 3.06Å; D2600-N2650 WeakPolarHBondContact OD2-CB 3.3Å; D2600-N2650 PolarHBondContact OD2-ND2 3.1Å | ||
| 2601 | P | 70.7 | Confident | 83.9 | Confident | 100.5 Ų | 100.5 | 46.7 Ų | 46.7 | 65% | 0.653 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -6 | -179.5 | 30.4 | -36.7 | 0 | 0 | 0 | 113.5 | N2599 T3557 | N2599-P2601 VanDerWaalsContact O-CD 3.23Å; N2599-P2601 WeakPolarHBondContact O-CD 3.18Å; P2601-T3557 HydrophobicContact CB-CG2 3.49Å; P2601-T3557 VanDerWaalsContact CB-CG2 3.49Å |
| 2602 | K | 76.5 | Confident | 83.6 | Confident | 114.75 Ų | 114.75 | 54 Ų | 54 | 50% | 0.499 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 4.2 | 174.4 | -60.1 | -174.5 | -174.7 | -178.6 | 0 | 112.8 | D2600 A2604 Q2651 | D2600-K2602 PolarHBondContact O-N 2.82Å; D2600-K2602 VanDerWaalsContact O-N 3.11Å; D2600-K2602 WeakPolarHBondContact OD1-CA 3.44Å; D2600-K2602 WeakPolarHBondContact OD1-CB 3.18Å; D2600-K2602 PolarHBondContact OD1-N 2.98Å; K2602-A2604 PolarHBondContact O-N 3.03Å; K2602-Q2651 HydrophobicContact CD-CB 4.32Å; K2602-Q2651 HydrophobicContact CD-CG 4.36Å |
| 2603 | L | 83.1 | Confident | 83.2 | Confident | 31.25 Ų | 31.25 | 53.4 Ų | 53.4 | 16% | 0.164 | 29% | 0.294 | C | S | . | . | trans | -69.5 | 110.4 | 175.4 | -171.7 | 68.7 | 0 | 0 | 0 | 110.1 | P2570 V2595 D2600 A2648 S2649 N2650 | P2570-L2603 HydrophobicContact CB-CD1 3.72Å; P2570-L2603 HydrophobicContact CG-CD1 4.49Å; V2595-L2603 HydrophobicContact CG1-CD2 3.84Å; V2595-L2603 HydrophobicContact CG2-CD1 4.29Å; V2595-L2603 HydrophobicContact CG2-CD2 4.24Å; D2600-L2603 HydrophobicContact CB-CB 4.17Å; D2600-L2603 VanDerWaalsContact O-CB 3.27Å; D2600-L2603 WeakPolarHBondContact O-CB 3.26Å; D2600-L2603 PolarHBondContact O-N 3.06Å; L2603-A2648 HydrophobicContact CD1-CB 4.21Å; L2603-S2649 CarbonylContact C-O 3.52Å; L2603-S2649 WeakPolarHBondContact CA-O 3.33Å; L2603-N2650 HydrophobicContact CD1-CB 4.43Å | ||
| 2604 | A | 85.4 | Confident | 82.9 | Confident | 52.25 Ų | 52.25 | 54.6 Ų | 54.6 | 43% | 0.432 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 124.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | K2602 S2649 | K2602-A2604 PolarHBondContact O-N 3.03Å; A2604-S2649 PolarHBondContact N-O 3Å; A2604-S2649 PolarHBondContact O-N 2.86Å; A2604-S2649 PolarHBondContact O-OG 2.88Å; A2604-S2649 VanDerWaalsContact O-OG 3.13Å |
| 2605 | L | 89.3 | Confident | 82.2 | Confident | 57.25 Ų | 57.25 | 57.3 Ų | 57.3 | 30% | 0.3 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 135.1 | 178.3 | -73.7 | 163.1 | 0 | 0 | 0 | 111 | V2595 A2624 V2629 R2647 A2648 | V2595-L2605 HydrophobicContact CG1-CD1 4.43Å; V2595-L2605 HydrophobicContact CG1-CD2 4.24Å; L2605-A2624 HydrophobicContact CD1-CB 3.67Å; L2605-V2629 HydrophobicContact CD1-CB 4.48Å; L2605-V2629 HydrophobicContact CD1-CG1 4.31Å; L2605-V2629 HydrophobicContact CD1-CG2 3.45Å; L2605-V2629 VanDerWaalsContact CD1-CG2 3.43Å; L2605-V2629 HydrophobicContact CD2-CG1 4.49Å; L2605-V2629 HydrophobicContact CD2-CG2 4.03Å; L2605-V2629 HydrophobicContact CG-CG2 4.39Å; L2605-R2647 CarbonylContact C-O 3.53Å; L2605-R2647 WeakPolarHBondContact CA-O 3.38Å; L2605-A2648 HydrophobicContact CD2-CB 3.8Å |
| 2606 | Q | 90.3 | Very high | 80.8 | Confident | 79 Ų | 79 | 62.3 Ų | 62.3 | 37% | 0.369 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 126.7 | 178.4 | -179.2 | 172.8 | 48.4 | 0 | 0 | 110.5 | L2608 R2647 | Q2606-L2608 HydrophobicContact CG-CD2 4.24Å; Q2606-L2608 HydrophobicContact CG-CG 4.28Å; Q2606-R2647 HydrophobicContact CB-CB 4.43Å; Q2606-R2647 PolarHBondContact N-O 3.3Å; Q2606-R2647 WeakPolarHBondContact O-CB 3.08Å; Q2606-R2647 PolarHBondContact O-N 2.83Å; Q2606-R2647 VanDerWaalsContact OE1-CZ 3.3Å |
| 2607 | W | 91.8 | Very high | 79.9 | Confident | 9 Ų | 9 | 63.6 Ų | 63.6 | 3% | 0.034 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 136.7 | 168.7 | -75.5 | 83.6 | 0 | 0 | 0 | 110.8 | L2576 L2591 L2614 M2622 V2629 L2631 F2644 T2645 C2646 | L2576-W2607 HydrophobicContact CD1-CH2 3.79Å; L2576-W2607 HydrophobicContact CD1-CZ3 3.76Å; L2576-W2607 HydrophobicContact CD2-CH2 3.95Å; L2576-W2607 HydrophobicContact CD2-CZ3 4.49Å; L2576-W2607 HydrophobicContact CG-CH2 4.43Å; L2591-W2607 HydrophobicContact CB-CH2 3.93Å; L2591-W2607 HydrophobicContact CB-CZ3 4.39Å; L2591-W2607 HydrophobicContact CD1-CH2 4.45Å; L2591-W2607 HydrophobicContact CD1-CZ3 4.16Å; W2607-L2614 HydrophobicContact CB-CB 4.09Å; W2607-L2614 HydrophobicContact CB-CD2 4.17Å; W2607-L2614 WeakPolarHBondContact O-CB 3.43Å; W2607-L2614 PolarHBondContact O-N 3.09Å; W2607-M2622 HydrophobicContact CB-CE 3.89Å; W2607-M2622 HydrophobicContact CB-SD 4.43Å; W2607-M2622 HydrophobicContact CG-CE 3.64Å; W2607-M2622 VanDerWaalsContact CG-CE 3.43Å; W2607-M2622 HydrophobicContact CG-SD 4.42Å; W2607-V2629 HydrophobicContact CZ2-CG1 4.2Å; W2607-L2631 HydrophobicContact CD2-CB 4.02Å; W2607-L2631 HydrophobicContact CD2-CD2 3.88Å; W2607-L2631 HydrophobicContact CD2-CG 4.49Å; W2607-L2631 HydrophobicContact CE3-CB 4.25Å; W2607-L2631 HydrophobicContact CE3-CD2 3.6Å; W2607-L2631 HydrophobicContact CG-CD2 4.47Å; W2607-L2631 HydrophobicContact CH2-CB 3.76Å; W2607-L2631 HydrophobicContact CH2-CD2 4.38Å; W2607-L2631 HydrophobicContact CZ2-CB 3.53Å; W2607-L2631 VanDerWaalsContact CZ2-CB 3.49Å; W2607-L2631 HydrophobicContact CZ3-CB 4.13Å; W2607-L2631 HydrophobicContact CZ3-CD2 3.88Å; W2607-F2644 HydrophobicContact CE3-CB 4.34Å; W2607-F2644 HydrophobicContact CZ3-CB 4.17Å; W2607-T2645 CarbonylContact C-O 3.54Å; W2607-T2645 WeakPolarHBondContact CA-O 3.41Å; W2607-C2646 HydrophobicContact CD2-CB 4.06Å; W2607-C2646 HydrophobicContact CE3-CB 4.03Å; W2607-C2646 HydrophobicContact CH2-CB 3.95Å; W2607-C2646 HydrophobicContact CZ2-CB 3.94Å; W2607-C2646 HydrophobicContact CZ3-CB 3.98Å |
| 2608 | L | 91.8 | Very high | 79.1 | Confident | 18.5 Ų | 18.5 | 69.8 Ų | 69.8 | 10% | 0.097 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 137.9 | 176.8 | -56.7 | 141.5 | 0 | 0 | 0 | 108.7 | Q2606 K2612 P2613 F2644 T2645 R2647 | Q2606-L2608 HydrophobicContact CG-CD2 4.24Å; Q2606-L2608 HydrophobicContact CG-CG 4.28Å; L2608-K2612 CarbonylContact C-O 3.56Å; L2608-K2612 WeakPolarHBondContact CA-O 3.39Å; L2608-P2613 HydrophobicContact CD2-CG 4.36Å; L2608-F2644 CarbonylContact O-C 3.51Å; L2608-F2644 VanDerWaalsContact O-CA 3.31Å; L2608-F2644 WeakPolarHBondContact O-CA 3.34Å; L2608-T2645 HydrophobicContact CD1-CG2 4.21Å; L2608-T2645 PolarHBondContact N-O 3.09Å; L2608-T2645 PolarHBondContact O-N 2.93Å; L2608-R2647 HydrophobicContact CD1-CB 4.07Å |
| 2609 | F | 91.2 | Very high | 79.6 | Confident | 44.5 Ų | 44.5 | 69.7 Ų | 69.7 | 20% | 0.195 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 119.4 | 168.3 | 177.4 | -115.3 | 0 | 0 | 0 | 108.8 | G2611 K2612 L2614 E2639 D2640 T2643 F2644 | F2609-G2611 PolarHBondContact O-N 3.16Å; F2609-K2612 PolarHBondContact N-O 3.17Å; F2609-K2612 PolarHBondContact O-N 2.93Å; F2609-K2612 VanDerWaalsContact O-N 3.07Å; F2609-L2614 HydrophobicContact CB-CB 4.48Å; F2609-L2614 HydrophobicContact CB-CD1 3.95Å; F2609-E2639 WeakPolarHBondContact CZ-O 3.48Å; F2609-D2640 VanDerWaalsContact CE2-O 3.29Å; F2609-D2640 WeakPolarHBondContact CE2-O 3.34Å; F2609-T2643 WeakPolarHBondContact CA-O 3.37Å; F2609-F2644 HydrophobicContact CB-CD1 4.4Å; F2609-F2644 HydrophobicContact CB-CE1 4.32Å; F2609-F2644 HydrophobicContact CD2-CD1 4.06Å; F2609-F2644 AromaticContact CD2-CD2 3.94Å; F2609-F2644 HydrophobicContact CD2-CD2 3.95Å; F2609-F2644 AromaticContact CD2-CE1 3.71Å; F2609-F2644 HydrophobicContact CD2-CE1 3.71Å; F2609-F2644 AromaticContact CD2-CE2 3.59Å; F2609-F2644 HydrophobicContact CD2-CE2 3.59Å; F2609-F2644 HydrophobicContact CD2-CG 4.17Å; F2609-F2644 AromaticContact CD2-CZ 3.46Å; F2609-F2644 HydrophobicContact CD2-CZ 3.46Å; F2609-F2644 VanDerWaalsContact CD2-CZ 3.46Å; F2609-F2644 HydrophobicContact CE2-CD2 4.22Å; F2609-F2644 HydrophobicContact CE2-CE1 4.41Å; F2609-F2644 AromaticContact CE2-CE2 3.58Å; F2609-F2644 HydrophobicContact CE2-CE2 3.58Å; F2609-F2644 AromaticContact CE2-CZ 3.7Å; F2609-F2644 HydrophobicContact CE2-CZ 3.7Å; F2609-F2644 HydrophobicContact CG-CE1 4.29Å; F2609-F2644 HydrophobicContact CG-CZ 4.33Å |
| 2610 | N | 89.1 | Confident | 80.7 | Confident | 87.75 Ų | 87.75 | 66.7 Ų | 66.7 | 47% | 0.469 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 42.1 | -175 | -64.8 | -39.9 | 0 | 0 | 0 | 112.7 | K2612 G2642 T2643 | N2610-K2612 VanDerWaalsContact C-N 3.3Å; N2610-K2612 PolarHBondContact O-N 2.94Å; N2610-G2642 VanDerWaalsContact OD1-CA 3.26Å; N2610-G2642 WeakPolarHBondContact OD1-CA 3.35Å; N2610-T2643 PolarHBondContact N-O 3.09Å; N2610-T2643 PolarHBondContact OD1-N 3.16Å |
| 2611 | G | 85.1 | Confident | 81 | Confident | 60 Ų | 60 | 70.4 Ų | 70.4 | 62% | 0.619 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 3.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | F2609 | F2609-G2611 PolarHBondContact O-N 3.16Š|
| 2612 | K | 84.4 | Confident | 81.7 | Confident | 153.75 Ų | 153.75 | 69 Ų | 69 | 67% | 0.668 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 144.5 | 175.6 | -64.6 | 179 | -177.5 | 175 | 0 | 110.5 | L2608 F2609 N2610 L2614 | L2608-K2612 CarbonylContact C-O 3.56Å; L2608-K2612 WeakPolarHBondContact CA-O 3.39Å; F2609-K2612 PolarHBondContact N-O 3.17Å; F2609-K2612 PolarHBondContact O-N 2.93Å; F2609-K2612 VanDerWaalsContact O-N 3.07Å; N2610-K2612 VanDerWaalsContact C-N 3.3Å; N2610-K2612 PolarHBondContact O-N 2.94Å; K2612-L2614 PolarHBondContact O-N 3.05Å |
| 2613 | P | 85.5 | Confident | 82 | Confident | 81.25 Ų | 81.25 | 69 Ų | 69 | 53% | 0.528 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 127.3 | 176.5 | -14.4 | 19.5 | 0 | 0 | 0 | 111.6 | L2608 I2615 | L2608-P2613 HydrophobicContact CD2-CG 4.36Å; P2613-I2615 PolarHBondContact O-N 3.22Å |
| 2614 | L | 84.6 | Confident | 81.8 | Confident | 25 Ų | 25 | 70.5 Ų | 70.5 | 13% | 0.131 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 125.5 | 177.1 | -177.4 | 67.6 | 0 | 0 | 0 | 109 | W2607 F2609 K2612 T2616 F2620 L2631 F2644 | W2607-L2614 HydrophobicContact CB-CB 4.09Å; W2607-L2614 HydrophobicContact CB-CD2 4.17Å; W2607-L2614 WeakPolarHBondContact O-CB 3.43Å; W2607-L2614 PolarHBondContact O-N 3.09Å; F2609-L2614 HydrophobicContact CB-CB 4.48Å; F2609-L2614 HydrophobicContact CB-CD1 3.95Å; K2612-L2614 PolarHBondContact O-N 3.05Å; L2614-T2616 PolarHBondContact O-N 2.9Å; L2614-F2620 HydrophobicContact CD1-CD1 4.41Å; L2614-F2620 HydrophobicContact CD1-CD2 4.35Å; L2614-F2620 HydrophobicContact CD1-CE1 4.34Å; L2614-F2620 HydrophobicContact CD1-CE2 4.22Å; L2614-F2620 HydrophobicContact CD1-CG 4.41Å; L2614-F2620 HydrophobicContact CD1-CZ 4.21Å; L2614-F2620 HydrophobicContact CD2-CB 4.44Å; L2614-F2620 HydrophobicContact CD2-CD1 4.28Å; L2614-F2620 HydrophobicContact CD2-CG 4.36Å; L2614-L2631 HydrophobicContact CD2-CD1 3.83Å; L2614-L2631 HydrophobicContact CD2-CD2 3.59Å; L2614-L2631 HydrophobicContact CD2-CG 4.37Å; L2614-F2644 HydrophobicContact CD1-CE1 4.17Å; L2614-F2644 HydrophobicContact CD2-CD1 4.35Å; L2614-F2644 HydrophobicContact CD2-CE1 4.17Å |
| 2615 | I | 72 | Confident | 81.3 | Confident | 128.75 Ų | 128.75 | 72.5 Ų | 72.5 | 66% | 0.66 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 121.2 | 179.7 | -57.9 | 173 | 0 | 0 | 0 | 108.4 | P2613 A2617 | P2613-I2615 PolarHBondContact O-N 3.22Å; I2615-A2617 PolarHBondContact O-N 3.02Å |
| 2616 | T | 59.4 | Low | 80.5 | Confident | 105.25 Ų | 105.25 | 75.9 Ų | 75.9 | 65% | 0.646 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 120.6 | 175.2 | -7.5 | 0 | 0 | 0 | 0 | 110.2 | L2614 M2622 | L2614-T2616 PolarHBondContact O-N 2.9Å; T2616-M2622 HydrophobicContact CG2-CG 4.48Å; T2616-M2622 HydrophobicContact CG2-SD 3.77Å; T2616-M2622 VanDerWaalsContact CG2-SD 3.51Å; T2616-M2622 WeakPolarHBondContact CG2-SD 3.23Å; T2616-M2622 PolarHBondContact OG1-SD 3.49Å |
| 2617 | A | 61.4 | Low | 79.7 | Confident | 48 Ų | 48 | 72.7 Ų | 72.7 | 40% | 0.397 | 39% | 0.39 | S | S | . | . | B | Isolated β-bridge | trans | -138.6 | 167.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | I2615 R2619 F2620 | I2615-A2617 PolarHBondContact O-N 3.02Å; A2617-R2619 PolarHBondContact O-N 3.35Å; A2617-F2620 HydrophobicContact CB-CD2 4.29Å; A2617-F2620 CarbonylContact O-C 3.59Å; A2617-F2620 PolarHBondContact O-N 3.09Å; A2617-F2620 VanDerWaalsContact O-O 3.12Å |
| 2618 | H | 61.1 | Low | 79.4 | Confident | 138.5 Ų | 138.5 | 75.2 Ų | 75.2 | 64% | 0.641 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -28.7 | -179.7 | -178.5 | -77.4 | 0 | 0 | 0 | 113.6 | F2620 L2634 L2761 | H2618-F2620 VanDerWaalsContact C-N 3.34Å; H2618-L2634 VanDerWaalsContact CE1-CD1 3.48Å; H2618-L2634 WeakPolarHBondContact CE1-CD1 3.16Å; H2618-L2634 VanDerWaalsContact O-CD1 3.25Å; H2618-L2634 WeakPolarHBondContact O-CD1 3.32Å; H2618-L2761 PolarHBondContact CD2-O 2.98Å |
| 2619 | R | 82.1 | Confident | 79.3 | Confident | 33 Ų | 33 | 74.4 Ų | 74.4 | 13% | 0.125 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -27.5 | 179 | -74.8 | -168.4 | -37.9 | 109.4 | -2.1 | 114.1 | A2617 E2632 I2633 L2634 Y2635 Y2637 D2640 | A2617-R2619 PolarHBondContact O-N 3.35Å; R2619-E2632 VanDerWaalsContact O-O 3.13Å; R2619-I2633 CarbonylContact O-C 3.51Å; R2619-I2633 VanDerWaalsContact O-CA 3.27Å; R2619-I2633 WeakPolarHBondContact O-CA 3.38Å; R2619-L2634 PolarHBondContact O-N 3.14Å; R2619-Y2635 VanDerWaalsContact CD-CD2 3.47Å; R2619-Y2635 VanDerWaalsContact CD-CZ 3.45Å; R2619-Y2635 HydrophobicContact CG-CD1 4.13Å; R2619-Y2635 HydrophobicContact CG-CD2 4.31Å; R2619-Y2635 HydrophobicContact CG-CE1 4.05Å; R2619-Y2635 HydrophobicContact CG-CE2 3.69Å; R2619-Y2635 HydrophobicContact CG-CG 4.15Å; R2619-Y2635 VanDerWaalsContact CG-OH 3.31Å; R2619-Y2635 WeakPolarHBondContact CG-OH 3.08Å; R2619-Y2635 PolarHBondContact NH1-O 3.03Å; R2619-Y2637 VanDerWaalsContact NH1-CD2 3.32Å; R2619-D2640 IonicContact CZ-OD1 3.31Å; R2619-D2640 IonicContact CZ-OD2 3.06Å; R2619-D2640 VanDerWaalsContact CZ-OD2 3.3Å; R2619-D2640 IonicContact NH1-OD1 3.45Å; R2619-D2640 IonicContact NH1-OD2 3.39Å; R2619-D2640 PolarHBondContact NH1-OD2 3.1Å; R2619-D2640 VanDerWaalsContact NH2-CG 3.27Å; R2619-D2640 IonicContact NH2-OD1 3.65Å; R2619-D2640 PolarHBondContact NH2-OD1 2.95Å; R2619-D2640 IonicContact NH2-OD2 3.45Å; R2619-D2640 PolarHBondContact NH2-OD2 3.11Å; R2619-D2640 VanDerWaalsContact NH2-OD2 3.11Å |
| 2620 | F | 85.7 | Confident | 79.3 | Confident | 21.25 Ų | 21.25 | 72.5 Ų | 72.5 | 9% | 0.093 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 99.7 | -173.7 | -61.6 | -68.1 | 0 | 0 | 0 | 109.1 | L2614 A2617 H2618 L2631 E2632 I2633 F2644 | L2614-F2620 HydrophobicContact CD1-CD1 4.41Å; L2614-F2620 HydrophobicContact CD1-CD2 4.35Å; L2614-F2620 HydrophobicContact CD1-CE1 4.34Å; L2614-F2620 HydrophobicContact CD1-CE2 4.22Å; L2614-F2620 HydrophobicContact CD1-CG 4.41Å; L2614-F2620 HydrophobicContact CD1-CZ 4.21Å; L2614-F2620 HydrophobicContact CD2-CB 4.44Å; L2614-F2620 HydrophobicContact CD2-CD1 4.28Å; L2614-F2620 HydrophobicContact CD2-CG 4.36Å; A2617-F2620 HydrophobicContact CB-CD2 4.29Å; A2617-F2620 CarbonylContact O-C 3.59Å; A2617-F2620 PolarHBondContact O-N 3.09Å; A2617-F2620 VanDerWaalsContact O-O 3.12Å; H2618-F2620 VanDerWaalsContact C-N 3.34Å; F2620-L2631 HydrophobicContact CB-CD1 4.06Å; F2620-L2631 HydrophobicContact CD1-CD1 4.27Å; F2620-E2632 CarbonylContact C-O 3.49Å; F2620-E2632 WeakPolarHBondContact CA-O 3.31Å; F2620-I2633 HydrophobicContact CD1-CB 4.48Å; F2620-I2633 HydrophobicContact CD1-CD1 4.48Å; F2620-I2633 HydrophobicContact CD1-CG1 3.95Å; F2620-I2633 HydrophobicContact CD1-CG2 4.27Å; F2620-I2633 HydrophobicContact CE1-CB 4.41Å; F2620-I2633 HydrophobicContact CE1-CD1 4.07Å; F2620-I2633 HydrophobicContact CE1-CG1 3.96Å; F2620-I2633 HydrophobicContact CE1-CG2 3.95Å; F2620-F2644 HydrophobicContact CE1-CE1 4.26Å; F2620-F2644 HydrophobicContact CE1-CZ 4.35Å |
| 2621 | K | 80.8 | Confident | 79.4 | Confident | 89.5 Ų | 89.5 | 68.3 Ų | 68.3 | 39% | 0.389 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 124.6 | 173.5 | -59.8 | -170.8 | -175.2 | 167.1 | 0 | 109.4 | Y2623 L2631 E2632 L2634 | K2621-Y2623 HydrophobicContact CB-CD2 4.4Å; K2621-Y2623 HydrophobicContact CB-CE2 3.7Å; K2621-Y2623 HydrophobicContact CD-CE2 4.29Å; K2621-Y2623 VanDerWaalsContact CD-OH 3.25Å; K2621-Y2623 WeakPolarHBondContact CD-OH 3.32Å; K2621-L2631 CarbonylContact O-C 3.57Å; K2621-L2631 WeakPolarHBondContact O-CA 3.35Å; K2621-E2632 HydrophobicContact CB-CB 4.23Å; K2621-E2632 VanDerWaalsContact CD-OE2 3.24Å; K2621-E2632 WeakPolarHBondContact CD-OE2 3.45Å; K2621-E2632 WeakPolarHBondContact CE-OE2 3.36Å; K2621-E2632 PolarHBondContact N-O 2.84Å; K2621-E2632 IonicContact NZ-OE1 3.06Å; K2621-E2632 PolarHBondContact NZ-OE1 2.7Å; K2621-E2632 IonicContact NZ-OE2 3.95Å; K2621-E2632 PolarHBondContact NZ-OE2 2.8Å; K2621-E2632 PolarHBondContact O-N 2.98Å; K2621-L2634 HydrophobicContact CD-CD2 4.31Å |
| 2622 | M | 85 | Confident | 79.6 | Confident | 70.5 Ų | 70.5 | 68.5 Ų | 68.5 | 35% | 0.347 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 129.6 | -178.9 | -63.8 | 164.2 | 66 | 0 | 0 | 108.3 | W2607 T2616 S2630 L2631 | W2607-M2622 HydrophobicContact CB-CE 3.89Å; W2607-M2622 HydrophobicContact CB-SD 4.43Å; W2607-M2622 HydrophobicContact CG-CE 3.64Å; W2607-M2622 VanDerWaalsContact CG-CE 3.43Å; W2607-M2622 HydrophobicContact CG-SD 4.42Å; T2616-M2622 HydrophobicContact CG2-CG 4.48Å; T2616-M2622 HydrophobicContact CG2-SD 3.77Å; T2616-M2622 VanDerWaalsContact CG2-SD 3.51Å; T2616-M2622 WeakPolarHBondContact CG2-SD 3.23Å; T2616-M2622 PolarHBondContact OG1-SD 3.49Å; M2622-S2630 CarbonylContact C-O 3.51Å; M2622-S2630 WeakPolarHBondContact CA-O 3.29Å; M2622-L2631 HydrophobicContact CG-CD1 3.69Å; M2622-L2631 HydrophobicContact SD-CD1 4.39Å |
| 2623 | Y | 83.4 | Confident | 79.9 | Confident | 114.5 Ų | 114.5 | 61.2 Ų | 61.2 | 45% | 0.449 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 137.5 | 175.7 | -77 | -88.3 | 0 | 0 | 0 | 109.1 | K2621 D2625 F2628 V2629 S2630 E2632 | K2621-Y2623 HydrophobicContact CB-CD2 4.4Å; K2621-Y2623 HydrophobicContact CB-CE2 3.7Å; K2621-Y2623 HydrophobicContact CD-CE2 4.29Å; K2621-Y2623 VanDerWaalsContact CD-OH 3.25Å; K2621-Y2623 WeakPolarHBondContact CD-OH 3.32Å; Y2623-D2625 HydrophobicContact CD1-CB 4.37Å; Y2623-D2625 HydrophobicContact CE1-CB 3.45Å; Y2623-D2625 VanDerWaalsContact CE1-CB 3.45Å; Y2623-D2625 WeakPolarHBondContact OH-CB 3.32Å; Y2623-D2625 PolarHBondContact OH-OD2 3.27Å; Y2623-F2628 AromaticContact CD1-CD1 3.89Å; Y2623-F2628 HydrophobicContact CD1-CD1 3.89Å; Y2623-F2628 HydrophobicContact CD1-CE1 4.16Å; Y2623-F2628 HydrophobicContact CE1-CD1 4.16Å; Y2623-V2629 CarbonylContact O-C 3.45Å; Y2623-V2629 WeakPolarHBondContact O-CA 3.31Å; Y2623-S2630 WeakPolarHBondContact CD2-OG 3.28Å; Y2623-S2630 PolarHBondContact N-O 3.12Å; Y2623-S2630 PolarHBondContact O-N 3.13Å; Y2623-E2632 HydrophobicContact CE2-CG 4.01Å; Y2623-E2632 WeakPolarHBondContact CE2-OE2 3.42Å; Y2623-E2632 PolarHBondContact OH-OE2 3.44Å |
| 2624 | A | 79 | Confident | 79.8 | Confident | 62.5 Ų | 62.5 | 59.9 Ų | 59.9 | 52% | 0.517 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 111.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | L2605 F2628 V2629 | L2605-A2624 HydrophobicContact CD1-CB 3.67Å; A2624-F2628 CarbonylContact C-O 3.51Å; A2624-F2628 VanDerWaalsContact CA-O 3.28Å; A2624-F2628 WeakPolarHBondContact CA-O 3.31Å; A2624-V2629 HydrophobicContact CB-CG1 4.44Å; A2624-V2629 HydrophobicContact CB-CG2 4.46Å |
| 2625 | D | 74.2 | Confident | 79.8 | Confident | 95.5 Ų | 95.5 | 62.8 Ų | 62.8 | 51% | 0.511 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 137.8 | -178.5 | -160.8 | 13.3 | 0 | 0 | 0 | 110.3 | Y2623 G2627 F2628 | Y2623-D2625 HydrophobicContact CD1-CB 4.37Å; Y2623-D2625 HydrophobicContact CE1-CB 3.45Å; Y2623-D2625 VanDerWaalsContact CE1-CB 3.45Å; Y2623-D2625 WeakPolarHBondContact OH-CB 3.32Å; Y2623-D2625 PolarHBondContact OH-OD2 3.27Å; D2625-G2627 VanDerWaalsContact C-N 3.26Å; D2625-G2627 PolarHBondContact O-N 2.83Å; D2625-G2627 VanDerWaalsContact O-N 3.1Å; D2625-F2628 PolarHBondContact N-O 3.02Å; D2625-F2628 WeakPolarHBondContact O-CA 3.27Å; D2625-F2628 VanDerWaalsContact O-CB 3.3Å; D2625-F2628 WeakPolarHBondContact O-CB 3.42Å; D2625-F2628 PolarHBondContact O-N 3.04Å |
| 2626 | F | 72.6 | Confident | 80.4 | Confident | 128.75 Ų | 128.75 | 56.7 Ų | 56.7 | 57% | 0.565 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.4 | 45.2 | -178 | -58.6 | -81.8 | 0 | 0 | 0 | 114.8 | I2598 F2628 D3560 M3561 | I2598-F2626 VanDerWaalsContact CG2-C 3.46Å; I2598-F2626 HydrophobicContact CG2-CB 4.14Å; I2598-F2626 WeakPolarHBondContact CG2-O 3.44Å; F2626-F2628 PolarHBondContact O-N 3.09Å; F2626-F2628 VanDerWaalsContact O-N 3.12Å; F2626-D3560 WeakPolarHBondContact CD1-OD1 3.38Å; F2626-D3560 HydrophobicContact CE1-CB 4.03Å; F2626-D3560 WeakPolarHBondContact CE1-OD1 3.44Å; F2626-M3561 HydrophobicContact CZ-CG 4.42Å |
| 2627 | G | 74.5 | Confident | 81.6 | Confident | 10 Ų | 10 | 55.2 Ų | 55.2 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | -7.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | R2594 V2595 D2625 | R2594-G2627 CarbonylContact C-O 3.49Å; R2594-G2627 VanDerWaalsContact CA-O 3.26Å; R2594-G2627 WeakPolarHBondContact CA-O 3.3Å; V2595-G2627 PolarHBondContact N-O 3.09Å; V2595-G2627 VanDerWaalsContact O-CA 3.22Å; V2595-G2627 WeakPolarHBondContact O-CA 3.37Å; D2625-G2627 VanDerWaalsContact C-N 3.26Å; D2625-G2627 PolarHBondContact O-N 2.83Å; D2625-G2627 VanDerWaalsContact O-N 3.1Å |
| 2628 | F | 84.1 | Confident | 82.5 | Confident | 63.25 Ų | 63.25 | 54.4 Ų | 54.4 | 28% | 0.277 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 126.9 | 168.7 | 176.7 | -97.6 | 0 | 0 | 0 | 109.8 | E2592 R2594 Y2623 A2624 D2625 F2626 S2630 | E2592-F2628 HydrophobicContact CB-CE2 4.09Å; E2592-F2628 HydrophobicContact CB-CZ 4.26Å; R2594-F2628 HydrophobicContact CG-CD2 4.44Å; Y2623-F2628 AromaticContact CD1-CD1 3.89Å; Y2623-F2628 HydrophobicContact CD1-CD1 3.89Å; Y2623-F2628 HydrophobicContact CD1-CE1 4.16Å; Y2623-F2628 HydrophobicContact CE1-CD1 4.16Å; A2624-F2628 CarbonylContact C-O 3.51Å; A2624-F2628 VanDerWaalsContact CA-O 3.28Å; A2624-F2628 WeakPolarHBondContact CA-O 3.31Å; D2625-F2628 PolarHBondContact N-O 3.02Å; D2625-F2628 WeakPolarHBondContact O-CA 3.27Å; D2625-F2628 VanDerWaalsContact O-CB 3.3Å; D2625-F2628 WeakPolarHBondContact O-CB 3.42Å; D2625-F2628 PolarHBondContact O-N 3.04Å; F2626-F2628 PolarHBondContact O-N 3.09Å; F2626-F2628 VanDerWaalsContact O-N 3.12Å; F2628-S2630 WeakPolarHBondContact CE1-OG 3.43Å |
| 2629 | V | 89.5 | Confident | 83.6 | Confident | 1.25 Ų | 1.25 | 53.6 Ų | 53.6 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 123.7 | -178.4 | -172.4 | 0 | 0 | 0 | 0 | 109.3 | E2592 C2593 V2595 L2605 W2607 Y2623 A2624 | E2592-V2629 WeakPolarHBondContact CA-O 3.33Å; C2593-V2629 PolarHBondContact N-O 3.1Å; C2593-V2629 PolarHBondContact O-N 3.12Å; C2593-V2629 VanDerWaalsContact O-O 3.09Å; V2595-V2629 HydrophobicContact CG1-CG2 3.89Å; L2605-V2629 HydrophobicContact CD1-CB 4.48Å; L2605-V2629 HydrophobicContact CD1-CG1 4.31Å; L2605-V2629 HydrophobicContact CD1-CG2 3.45Å; L2605-V2629 VanDerWaalsContact CD1-CG2 3.43Å; L2605-V2629 HydrophobicContact CD2-CG1 4.49Å; L2605-V2629 HydrophobicContact CD2-CG2 4.03Å; L2605-V2629 HydrophobicContact CG-CG2 4.39Å; W2607-V2629 HydrophobicContact CZ2-CG1 4.2Å; Y2623-V2629 CarbonylContact O-C 3.45Å; Y2623-V2629 WeakPolarHBondContact O-CA 3.31Å; A2624-V2629 HydrophobicContact CB-CG1 4.44Å; A2624-V2629 HydrophobicContact CB-CG2 4.46Å |
| 2630 | S | 91.4 | Very high | 83.9 | Confident | 4.5 Ų | 4.5 | 52.4 Ų | 52.4 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 153 | 177.2 | 68.8 | 0 | 0 | 0 | 0 | 113.9 | L2591 M2622 Y2623 F2628 | L2591-S2630 CarbonylContact O-C 3.33Å; L2591-S2630 WeakPolarHBondContact O-CA 3.31Å; L2591-S2630 VanDerWaalsContact O-CB 3.23Å; L2591-S2630 WeakPolarHBondContact O-CB 3.26Å; M2622-S2630 CarbonylContact C-O 3.51Å; M2622-S2630 WeakPolarHBondContact CA-O 3.29Å; Y2623-S2630 WeakPolarHBondContact CD2-OG 3.28Å; Y2623-S2630 PolarHBondContact N-O 3.12Å; Y2623-S2630 PolarHBondContact O-N 3.13Å; F2628-S2630 WeakPolarHBondContact CE1-OG 3.43Å |
| 2631 | L | 91.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 114 | 171.9 | 170.5 | 64.8 | 0 | 0 | 0 | 108.6 | L2591 W2607 L2614 F2620 K2621 M2622 F2644 | L2591-L2631 HydrophobicContact CB-CB 4.27Å; L2591-L2631 HydrophobicContact CD1-CD2 4.05Å; L2591-L2631 HydrophobicContact CD1-CG 4.43Å; L2591-L2631 PolarHBondContact N-O 2.84Å; L2591-L2631 PolarHBondContact O-N 2.99Å; W2607-L2631 HydrophobicContact CD2-CB 4.02Å; W2607-L2631 HydrophobicContact CD2-CD2 3.88Å; W2607-L2631 HydrophobicContact CD2-CG 4.49Å; W2607-L2631 HydrophobicContact CE3-CB 4.25Å; W2607-L2631 HydrophobicContact CE3-CD2 3.6Å; W2607-L2631 HydrophobicContact CG-CD2 4.47Å; W2607-L2631 HydrophobicContact CH2-CB 3.76Å; W2607-L2631 HydrophobicContact CH2-CD2 4.38Å; W2607-L2631 HydrophobicContact CZ2-CB 3.53Å; W2607-L2631 VanDerWaalsContact CZ2-CB 3.49Å; W2607-L2631 HydrophobicContact CZ3-CB 4.13Å; W2607-L2631 HydrophobicContact CZ3-CD2 3.88Å; L2614-L2631 HydrophobicContact CD2-CD1 3.83Å; L2614-L2631 HydrophobicContact CD2-CD2 3.59Å; L2614-L2631 HydrophobicContact CD2-CG 4.37Å; F2620-L2631 HydrophobicContact CB-CD1 4.06Å; F2620-L2631 HydrophobicContact CD1-CD1 4.27Å; K2621-L2631 CarbonylContact O-C 3.57Å; K2621-L2631 WeakPolarHBondContact O-CA 3.35Å; M2622-L2631 HydrophobicContact CG-CD1 3.69Å; M2622-L2631 HydrophobicContact SD-CD1 4.39Å; L2631-F2644 HydrophobicContact CD2-CD1 3.55Å; L2631-F2644 VanDerWaalsContact CD2-CD1 3.5Å; L2631-F2644 HydrophobicContact CD2-CE1 3.9Å; L2631-F2644 HydrophobicContact CD2-CG 4.42Å |
| 2632 | E | 89.8 | Confident | 84.5 | Confident | 64 Ų | 64 | 49.7 Ų | 49.7 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 122.5 | 174.1 | -84.9 | -177.6 | 174.2 | 0 | 0 | 110 | V2589 R2619 F2620 K2621 Y2623 L2634 | V2589-E2632 CarbonylContact O-C 3.56Å; V2589-E2632 WeakPolarHBondContact O-CA 3.34Å; R2619-E2632 VanDerWaalsContact O-O 3.13Å; F2620-E2632 CarbonylContact C-O 3.49Å; F2620-E2632 WeakPolarHBondContact CA-O 3.31Å; K2621-E2632 HydrophobicContact CB-CB 4.23Å; K2621-E2632 VanDerWaalsContact CD-OE2 3.24Å; K2621-E2632 WeakPolarHBondContact CD-OE2 3.45Å; K2621-E2632 WeakPolarHBondContact CE-OE2 3.36Å; K2621-E2632 PolarHBondContact N-O 2.84Å; K2621-E2632 IonicContact NZ-OE1 3.06Å; K2621-E2632 PolarHBondContact NZ-OE1 2.7Å; K2621-E2632 IonicContact NZ-OE2 3.95Å; K2621-E2632 PolarHBondContact NZ-OE2 2.8Å; K2621-E2632 PolarHBondContact O-N 2.98Å; Y2623-E2632 HydrophobicContact CE2-CG 4.01Å; Y2623-E2632 WeakPolarHBondContact CE2-OE2 3.42Å; Y2623-E2632 PolarHBondContact OH-OE2 3.44Å; E2632-L2634 HydrophobicContact CG-CD2 4.22Å; E2632-L2634 VanDerWaalsContact OE1-CD2 3.27Å; E2632-L2634 WeakPolarHBondContact OE1-CD2 3.44Å |
| 2633 | I | 90.6 | Very high | 85 | Confident | 0.75 Ų | 0.75 | 48.8 Ų | 48.8 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 108 | 168.7 | -45.1 | -178.6 | 0 | 0 | 0 | 107.1 | P2588 V2589 R2619 F2620 Y2635 A2636 F2644 L2661 | P2588-I2633 CarbonylContact C-O 3.56Å; P2588-I2633 VanDerWaalsContact CA-O 3.24Å; P2588-I2633 WeakPolarHBondContact CA-O 3.44Å; V2589-I2633 HydrophobicContact CB-CB 4.05Å; V2589-I2633 HydrophobicContact CB-CD1 4.11Å; V2589-I2633 HydrophobicContact CB-CG1 4.2Å; V2589-I2633 HydrophobicContact CG1-CD1 4.38Å; V2589-I2633 PolarHBondContact N-O 3.29Å; V2589-I2633 PolarHBondContact O-N 3.04Å; R2619-I2633 CarbonylContact O-C 3.51Å; R2619-I2633 VanDerWaalsContact O-CA 3.27Å; R2619-I2633 WeakPolarHBondContact O-CA 3.38Å; F2620-I2633 HydrophobicContact CD1-CB 4.48Å; F2620-I2633 HydrophobicContact CD1-CD1 4.48Å; F2620-I2633 HydrophobicContact CD1-CG1 3.95Å; F2620-I2633 HydrophobicContact CD1-CG2 4.27Å; F2620-I2633 HydrophobicContact CE1-CB 4.41Å; F2620-I2633 HydrophobicContact CE1-CD1 4.07Å; F2620-I2633 HydrophobicContact CE1-CG1 3.96Å; F2620-I2633 HydrophobicContact CE1-CG2 3.95Å; I2633-Y2635 VanDerWaalsContact C-N 3.26Å; I2633-Y2635 PolarHBondContact O-N 2.83Å; I2633-A2636 HydrophobicContact CG2-CB 4.42Å; I2633-F2644 HydrophobicContact CD1-CE1 4.27Å; I2633-F2644 HydrophobicContact CD1-CE2 4.17Å; I2633-F2644 HydrophobicContact CD1-CZ 3.75Å; I2633-L2661 HydrophobicContact CD1-CD2 3.81Å |
| 2634 | L | 82.4 | Confident | 85.5 | Confident | 54 Ų | 54 | 43.4 Ų | 43.4 | 28% | 0.283 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -63.5 | -30 | -173.8 | -66 | -179.3 | 0 | 0 | 0 | 114 | H2618 R2619 K2621 E2632 | H2618-L2634 VanDerWaalsContact CE1-CD1 3.48Å; H2618-L2634 WeakPolarHBondContact CE1-CD1 3.16Å; H2618-L2634 VanDerWaalsContact O-CD1 3.25Å; H2618-L2634 WeakPolarHBondContact O-CD1 3.32Å; R2619-L2634 PolarHBondContact O-N 3.14Å; K2621-L2634 HydrophobicContact CD-CD2 4.31Å; E2632-L2634 HydrophobicContact CG-CD2 4.22Å; E2632-L2634 VanDerWaalsContact OE1-CD2 3.27Å; E2632-L2634 WeakPolarHBondContact OE1-CD2 3.44Å |
| 2635 | Y | 84.1 | Confident | 86.2 | Confident | 85.75 Ų | 85.75 | 41.1 Ų | 41.1 | 34% | 0.336 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -159 | 119.5 | 175.7 | 45.3 | -87.5 | 0 | 0 | 0 | 108.5 | G2586 D2587 R2619 I2633 Y2637 | G2586-Y2635 WeakPolarHBondContact O-CB 3.21Å; D2587-Y2635 CarbonylContact O-C 3.5Å; D2587-Y2635 WeakPolarHBondContact O-CA 3.33Å; R2619-Y2635 VanDerWaalsContact CD-CD2 3.47Å; R2619-Y2635 VanDerWaalsContact CD-CZ 3.45Å; R2619-Y2635 HydrophobicContact CG-CD1 4.13Å; R2619-Y2635 HydrophobicContact CG-CD2 4.31Å; R2619-Y2635 HydrophobicContact CG-CE1 4.05Å; R2619-Y2635 HydrophobicContact CG-CE2 3.69Å; R2619-Y2635 HydrophobicContact CG-CG 4.15Å; R2619-Y2635 VanDerWaalsContact CG-OH 3.31Å; R2619-Y2635 WeakPolarHBondContact CG-OH 3.08Å; R2619-Y2635 PolarHBondContact NH1-O 3.03Å; I2633-Y2635 VanDerWaalsContact C-N 3.26Å; I2633-Y2635 PolarHBondContact O-N 2.83Å; Y2635-Y2637 HydrophobicContact CD2-CE1 4.47Å; Y2635-Y2637 AromaticContact CD2-CE2 3.86Å; Y2635-Y2637 HydrophobicContact CD2-CE2 3.9Å; Y2635-Y2637 AromaticContact CD2-CZ 3.81Å; Y2635-Y2637 AromaticContact CE2-CE2 3.79Å; Y2635-Y2637 HydrophobicContact CE2-CE2 3.85Å; Y2635-Y2637 AromaticContact CE2-CZ 3.79Å; Y2635-Y2637 VanDerWaalsContact CE2-OH 3.26Å; Y2635-Y2637 WeakPolarHBondContact CE2-OH 3.39Å |
| 2636 | A | 85.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -87.5 | 138.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V2583 E2585 G2586 D2587 V2589 I2633 D2640 V2663 | V2583-A2636 HydrophobicContact CG1-CB 3.97Å; E2585-A2636 CarbonylContact C-O 3.47Å; E2585-A2636 WeakPolarHBondContact CA-O 3.39Å; G2586-A2636 PolarHBondContact N-O 3.16Å; D2587-A2636 WeakPolarHBondContact O-CB 3.39Å; D2587-A2636 PolarHBondContact O-N 2.75Å; V2589-A2636 HydrophobicContact CG2-CB 3.92Å; I2633-A2636 HydrophobicContact CG2-CB 4.42Å; A2636-D2640 WeakPolarHBondContact CA-OD2 3.3Å; A2636-V2663 HydrophobicContact CB-CG1 4.16Å; A2636-V2663 HydrophobicContact CB-CG2 3.98Å | ||
| 2637 | Y | 84 | Confident | 88.1 | Confident | 74.25 Ų | 74.25 | 34.5 Ų | 34.5 | 29% | 0.291 | 17% | 0.174 | S | C | . | . | trans | -105.7 | 160.9 | 171.9 | -66.8 | -63 | 0 | 0 | 0 | 111.1 | E2585 R2619 Y2635 E2639 D2640 V2663 L2671 | E2585-Y2637 HydrophobicContact CG-CD1 4.26Å; R2619-Y2637 VanDerWaalsContact NH1-CD2 3.32Å; Y2635-Y2637 HydrophobicContact CD2-CE1 4.47Å; Y2635-Y2637 AromaticContact CD2-CE2 3.86Å; Y2635-Y2637 HydrophobicContact CD2-CE2 3.9Å; Y2635-Y2637 AromaticContact CD2-CZ 3.81Å; Y2635-Y2637 AromaticContact CE2-CE2 3.79Å; Y2635-Y2637 HydrophobicContact CE2-CE2 3.85Å; Y2635-Y2637 AromaticContact CE2-CZ 3.79Å; Y2635-Y2637 VanDerWaalsContact CE2-OH 3.26Å; Y2635-Y2637 WeakPolarHBondContact CE2-OH 3.39Å; Y2637-E2639 PolarHBondContact O-N 3.07Å; Y2637-E2639 VanDerWaalsContact O-N 3.13Å; Y2637-D2640 PolarHBondContact N-OD2 2.93Å; Y2637-D2640 WeakPolarHBondContact O-CB 3.43Å; Y2637-D2640 PolarHBondContact O-N 2.96Å; Y2637-V2663 WeakPolarHBondContact O-CB 3.39Å; Y2637-V2663 WeakPolarHBondContact O-CG1 3.33Å; Y2637-V2663 WeakPolarHBondContact O-CG2 3.38Å; Y2637-L2671 HydrophobicContact CD1-CD2 4.21Å; Y2637-L2671 HydrophobicContact CE1-CD2 4.32Å | ||
| 2638 | A | 81.4 | Confident | 89 | Confident | 30.75 Ų | 30.75 | 34 Ų | 34 | 25% | 0.254 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -54.6 | -32.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E2585 D2640 S2641 A2665 L2671 | E2585-A2638 PolarHBondContact OE1-N 2.88Å; A2638-D2640 VanDerWaalsContact C-N 3.31Å; A2638-D2640 PolarHBondContact O-N 2.95Å; A2638-S2641 VanDerWaalsContact O-CB 3.3Å; A2638-S2641 WeakPolarHBondContact O-CB 3.42Å; A2638-S2641 PolarHBondContact O-N 2.94Å; A2638-S2641 VanDerWaalsContact O-N 3.08Å; A2638-S2641 PolarHBondContact O-OG 3.01Å; A2638-A2665 HydrophobicContact CB-CB 3.74Å; A2638-L2671 HydrophobicContact CB-CD1 4.36Å |
| 2639 | E | 83.9 | Confident | 89.3 | Confident | 122.25 Ų | 122.25 | 32.6 Ų | 32.6 | 57% | 0.571 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -70.8 | -18.3 | 176.4 | 0.6 | 162.2 | -156.2 | 0 | 0 | 114.6 | F2609 Y2637 S2641 Q2672 R2673 | F2609-E2639 WeakPolarHBondContact CZ-O 3.48Å; Y2637-E2639 PolarHBondContact O-N 3.07Å; Y2637-E2639 VanDerWaalsContact O-N 3.13Å; E2639-S2641 PolarHBondContact O-N 3.16Å; E2639-Q2672 VanDerWaalsContact OE1-C 3.22Å; E2639-Q2672 WeakPolarHBondContact OE1-CA 3.31Å; E2639-R2673 VanDerWaalsContact CD-CB 3.43Å; E2639-R2673 HydrophobicContact CG-CB 3.84Å; E2639-R2673 HydrophobicContact CG-CG 4.46Å; E2639-R2673 PolarHBondContact OE1-N 3.32Å; E2639-R2673 WeakPolarHBondContact OE2-CB 3.37Å; E2639-R2673 WeakPolarHBondContact OE2-CD 3.47Å; E2639-R2673 WeakPolarHBondContact OE2-CG 3.36Å; E2639-R2673 PolarHBondContact OE2-N 2.86Å; E2639-R2673 IonicContact OE2-NE 3.49Å |
| 2640 | D | 87.7 | Confident | 89.1 | Confident | 7.25 Ų | 7.25 | 33.5 Ų | 33.5 | 4% | 0.039 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -76.3 | -3 | 172.6 | -59.5 | -42.8 | 0 | 0 | 0 | 111.6 | F2609 R2619 A2636 Y2637 A2638 G2642 F2644 L2661 V2663 | F2609-D2640 VanDerWaalsContact CE2-O 3.29Å; F2609-D2640 WeakPolarHBondContact CE2-O 3.34Å; R2619-D2640 IonicContact CZ-OD1 3.31Å; R2619-D2640 IonicContact CZ-OD2 3.06Å; R2619-D2640 VanDerWaalsContact CZ-OD2 3.3Å; R2619-D2640 IonicContact NH1-OD1 3.45Å; R2619-D2640 IonicContact NH1-OD2 3.39Å; R2619-D2640 PolarHBondContact NH1-OD2 3.1Å; R2619-D2640 VanDerWaalsContact NH2-CG 3.27Å; R2619-D2640 IonicContact NH2-OD1 3.65Å; R2619-D2640 PolarHBondContact NH2-OD1 2.95Å; R2619-D2640 IonicContact NH2-OD2 3.45Å; R2619-D2640 PolarHBondContact NH2-OD2 3.11Å; R2619-D2640 VanDerWaalsContact NH2-OD2 3.11Å; A2636-D2640 WeakPolarHBondContact CA-OD2 3.3Å; Y2637-D2640 PolarHBondContact N-OD2 2.93Å; Y2637-D2640 WeakPolarHBondContact O-CB 3.43Å; Y2637-D2640 PolarHBondContact O-N 2.96Å; A2638-D2640 VanDerWaalsContact C-N 3.31Å; A2638-D2640 PolarHBondContact O-N 2.95Å; D2640-G2642 PolarHBondContact O-N 3.26Å; D2640-F2644 VanDerWaalsContact O-CE2 3.31Å; D2640-F2644 WeakPolarHBondContact O-CE2 3.36Å; D2640-L2661 HydrophobicContact CB-CD2 4.23Å; D2640-V2663 HydrophobicContact CB-CG2 4.39Å |
| 2641 | S | 89.4 | Confident | 88.7 | Confident | 42.25 Ų | 42.25 | 38 Ų | 38 | 30% | 0.295 | 19% | 0.192 | S | C | . | . | trans | -63.3 | 123.6 | 170.7 | -59.5 | 0 | 0 | 0 | 0 | 110.5 | A2638 E2639 L2661 V2663 | A2638-S2641 VanDerWaalsContact O-CB 3.3Å; A2638-S2641 WeakPolarHBondContact O-CB 3.42Å; A2638-S2641 PolarHBondContact O-N 2.94Å; A2638-S2641 VanDerWaalsContact O-N 3.08Å; A2638-S2641 PolarHBondContact O-OG 3.01Å; E2639-S2641 PolarHBondContact O-N 3.16Å; S2641-L2661 CarbonylContact C-O 3.5Å; S2641-L2661 VanDerWaalsContact CA-O 3.25Å; S2641-L2661 WeakPolarHBondContact CA-O 3.43Å; S2641-V2663 PolarHBondContact OG-N 2.98Å; S2641-V2663 PolarHBondContact OG-O 3.2Å | ||
| 2642 | G | 91 | Very high | 88.3 | Confident | 12.5 Ų | 12.5 | 42.7 Ų | 42.7 | 13% | 0.129 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.5 | -171.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N2610 D2640 K2660 L2661 | N2610-G2642 VanDerWaalsContact OD1-CA 3.26Å; N2610-G2642 WeakPolarHBondContact OD1-CA 3.35Å; D2640-G2642 PolarHBondContact O-N 3.26Å; G2642-K2660 CarbonylContact O-C 3.51Å; G2642-K2660 WeakPolarHBondContact O-CA 3.35Å; G2642-L2661 PolarHBondContact N-O 2.84Å; G2642-L2661 PolarHBondContact O-N 3.14Å |
| 2643 | T | 93.9 | Very high | 88.1 | Confident | 51.75 Ų | 51.75 | 40.8 Ų | 40.8 | 32% | 0.317 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 115.8 | 177.8 | -53.8 | 0 | 0 | 0 | 0 | 109.6 | F2609 N2610 C2659 | F2609-T2643 WeakPolarHBondContact CA-O 3.37Å; N2610-T2643 PolarHBondContact N-O 3.09Å; N2610-T2643 PolarHBondContact OD1-N 3.16Å; T2643-C2659 CarbonylContact C-O 3.57Å; T2643-C2659 WeakPolarHBondContact CA-O 3.28Å |
| 2644 | F | 94.1 | Very high | 88.1 | Confident | 0.25 Ų | 0.25 | 44.6 Ų | 44.6 | 0% | 0.001 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 122.9 | 168.4 | -72.2 | -93.3 | 0 | 0 | 0 | 108.7 | L2591 W2607 L2608 F2609 L2614 F2620 L2631 I2633 D2640 S2658 C2659 L2661 | L2591-F2644 HydrophobicContact CD1-CB 3.88Å; L2591-F2644 HydrophobicContact CD1-CD1 4.37Å; L2591-F2644 HydrophobicContact CD1-CD2 4.29Å; L2591-F2644 HydrophobicContact CD1-CG 3.93Å; W2607-F2644 HydrophobicContact CE3-CB 4.34Å; W2607-F2644 HydrophobicContact CZ3-CB 4.17Å; L2608-F2644 CarbonylContact O-C 3.51Å; L2608-F2644 VanDerWaalsContact O-CA 3.31Å; L2608-F2644 WeakPolarHBondContact O-CA 3.34Å; F2609-F2644 HydrophobicContact CB-CD1 4.4Å; F2609-F2644 HydrophobicContact CB-CE1 4.32Å; F2609-F2644 HydrophobicContact CD2-CD1 4.06Å; F2609-F2644 AromaticContact CD2-CD2 3.94Å; F2609-F2644 HydrophobicContact CD2-CD2 3.95Å; F2609-F2644 AromaticContact CD2-CE1 3.71Å; F2609-F2644 HydrophobicContact CD2-CE1 3.71Å; F2609-F2644 AromaticContact CD2-CE2 3.59Å; F2609-F2644 HydrophobicContact CD2-CE2 3.59Å; F2609-F2644 HydrophobicContact CD2-CG 4.17Å; F2609-F2644 AromaticContact CD2-CZ 3.46Å; F2609-F2644 HydrophobicContact CD2-CZ 3.46Å; F2609-F2644 VanDerWaalsContact CD2-CZ 3.46Å; F2609-F2644 HydrophobicContact CE2-CD2 4.22Å; F2609-F2644 HydrophobicContact CE2-CE1 4.41Å; F2609-F2644 AromaticContact CE2-CE2 3.58Å; F2609-F2644 HydrophobicContact CE2-CE2 3.58Å; F2609-F2644 AromaticContact CE2-CZ 3.7Å; F2609-F2644 HydrophobicContact CE2-CZ 3.7Å; F2609-F2644 HydrophobicContact CG-CE1 4.29Å; F2609-F2644 HydrophobicContact CG-CZ 4.33Å; L2614-F2644 HydrophobicContact CD1-CE1 4.17Å; L2614-F2644 HydrophobicContact CD2-CD1 4.35Å; L2614-F2644 HydrophobicContact CD2-CE1 4.17Å; F2620-F2644 HydrophobicContact CE1-CE1 4.26Å; F2620-F2644 HydrophobicContact CE1-CZ 4.35Å; L2631-F2644 HydrophobicContact CD2-CD1 3.55Å; L2631-F2644 VanDerWaalsContact CD2-CD1 3.5Å; L2631-F2644 HydrophobicContact CD2-CE1 3.9Å; L2631-F2644 HydrophobicContact CD2-CG 4.42Å; I2633-F2644 HydrophobicContact CD1-CE1 4.27Å; I2633-F2644 HydrophobicContact CD1-CE2 4.17Å; I2633-F2644 HydrophobicContact CD1-CZ 3.75Å; D2640-F2644 VanDerWaalsContact O-CE2 3.31Å; D2640-F2644 WeakPolarHBondContact O-CE2 3.36Å; F2644-S2658 CarbonylContact O-C 3.53Å; F2644-S2658 VanDerWaalsContact O-CA 3.28Å; F2644-S2658 WeakPolarHBondContact O-CA 3.3Å; F2644-C2659 PolarHBondContact N-O 2.92Å; F2644-C2659 PolarHBondContact O-N 2.92Å; F2644-L2661 HydrophobicContact CD2-CB 4Å; F2644-L2661 HydrophobicContact CD2-CD2 4.38Å; F2644-L2661 HydrophobicContact CE2-CB 3.99Å; F2644-L2661 HydrophobicContact CE2-CD2 3.69Å; F2644-L2661 HydrophobicContact CE2-CG 4.42Å; F2644-L2661 HydrophobicContact CZ-CD2 4.41Å |
| 2645 | T | 94.7 | Very high | 88.6 | Confident | 14 Ų | 14 | 44 Ų | 44 | 9% | 0.086 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 123.2 | 178.9 | -56.5 | 0 | 0 | 0 | 0 | 109 | W2607 L2608 E2656 T2657 S2658 | W2607-T2645 CarbonylContact C-O 3.54Å; W2607-T2645 WeakPolarHBondContact CA-O 3.41Å; L2608-T2645 HydrophobicContact CD1-CG2 4.21Å; L2608-T2645 PolarHBondContact N-O 3.09Å; L2608-T2645 PolarHBondContact O-N 2.93Å; T2645-E2656 HydrophobicContact CG2-CB 4Å; T2645-E2656 HydrophobicContact CG2-CG 4.27Å; T2645-T2657 CarbonylContact C-O 3.53Å; T2645-T2657 VanDerWaalsContact CA-O 3.27Å; T2645-T2657 WeakPolarHBondContact CA-O 3.35Å; T2645-S2658 WeakPolarHBondContact CB-OG 3.37Å; T2645-S2658 VanDerWaalsContact CG2-OG 3.27Å; T2645-S2658 WeakPolarHBondContact CG2-OG 3.39Å; T2645-S2658 PolarHBondContact OG1-OG 2.87Å |
| 2646 | C | 93.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 121.1 | 168 | -174.4 | 0 | 0 | 0 | 0 | 108.2 | F2572 L2576 W2607 E2656 T2657 | F2572-C2646 HydrophobicContact CE1-CB 4.37Å; F2572-C2646 WeakPolarHBondContact CE2-O 3.26Å; F2572-C2646 HydrophobicContact CZ-CB 4.14Å; F2572-C2646 VanDerWaalsContact CZ-O 3.27Å; F2572-C2646 WeakPolarHBondContact CZ-O 3.26Å; L2576-C2646 HydrophobicContact CD1-CB 4.31Å; W2607-C2646 HydrophobicContact CD2-CB 4.06Å; W2607-C2646 HydrophobicContact CE3-CB 4.03Å; W2607-C2646 HydrophobicContact CH2-CB 3.95Å; W2607-C2646 HydrophobicContact CZ2-CB 3.94Å; W2607-C2646 HydrophobicContact CZ3-CB 3.98Å; C2646-E2656 WeakPolarHBondContact O-CA 3.29Å; C2646-T2657 HydrophobicContact CB-CG2 3.84Å; C2646-T2657 PolarHBondContact N-O 3.13Å; C2646-T2657 PolarHBondContact O-N 3.09Å |
| 2647 | R | 93.4 | Very high | 89.5 | Confident | 85 Ų | 85 | 44.3 Ų | 44.3 | 32% | 0.321 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.9 | -179.9 | -179.7 | 176.6 | 175.1 | -176.9 | -0.3 | 109.9 | L2605 Q2606 L2608 E2656 | L2605-R2647 CarbonylContact C-O 3.53Å; L2605-R2647 WeakPolarHBondContact CA-O 3.38Å; Q2606-R2647 HydrophobicContact CB-CB 4.43Å; Q2606-R2647 PolarHBondContact N-O 3.3Å; Q2606-R2647 WeakPolarHBondContact O-CB 3.08Å; Q2606-R2647 PolarHBondContact O-N 2.83Å; Q2606-R2647 VanDerWaalsContact OE1-CZ 3.3Å; L2608-R2647 HydrophobicContact CD1-CB 4.07Å; R2647-E2656 HydrophobicContact CB-CG 3.82Å; R2647-E2656 WeakPolarHBondContact CD-OE1 3.37Å; R2647-E2656 HydrophobicContact CG-CG 3.65Å; R2647-E2656 WeakPolarHBondContact CG-OE1 3.36Å; R2647-E2656 IonicContact CZ-OE1 3.46Å; R2647-E2656 IonicContact NE-OE1 3.16Å; R2647-E2656 PolarHBondContact NE-OE1 2.98Å; R2647-E2656 IonicContact NH1-OE1 2.89Å; R2647-E2656 PolarHBondContact NH1-OE1 2.67Å; R2647-E2656 IonicContact NH2-OE1 3.58Å |
| 2648 | A | 92.1 | Very high | 90 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 137.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P2570 F2572 V2595 L2603 L2605 T2654 D2655 | P2570-A2648 HydrophobicContact CB-CB 3.9Å; P2570-A2648 HydrophobicContact CG-CB 4.29Å; P2570-A2648 WeakPolarHBondContact CG-O 3.33Å; F2572-A2648 HydrophobicContact CE2-CB 3.9Å; F2572-A2648 HydrophobicContact CZ-CB 3.75Å; V2595-A2648 HydrophobicContact CB-CB 4.49Å; V2595-A2648 HydrophobicContact CG2-CB 3.65Å; L2603-A2648 HydrophobicContact CD1-CB 4.21Å; L2605-A2648 HydrophobicContact CD2-CB 3.8Å; A2648-T2654 CarbonylContact O-C 3.52Å; A2648-T2654 VanDerWaalsContact O-CA 3.23Å; A2648-T2654 WeakPolarHBondContact O-CA 3.39Å; A2648-T2654 WeakPolarHBondContact O-CB 3.29Å; A2648-D2655 PolarHBondContact N-O 2.82Å; A2648-D2655 PolarHBondContact O-N 2.81Å |
| 2649 | S | 90.1 | Very high | 90.6 | Very high | 33.5 Ų | 33.5 | 41.8 Ų | 41.8 | 23% | 0.234 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 135 | -179.8 | 56.1 | 0 | 0 | 0 | 0 | 111.2 | L2603 A2604 T2654 | L2603-S2649 CarbonylContact C-O 3.52Å; L2603-S2649 WeakPolarHBondContact CA-O 3.33Å; A2604-S2649 PolarHBondContact N-O 3Å; A2604-S2649 PolarHBondContact O-N 2.86Å; A2604-S2649 PolarHBondContact O-OG 2.88Å; A2604-S2649 VanDerWaalsContact O-OG 3.13Å; S2649-T2654 VanDerWaalsContact CB-CG2 3.46Å |
| 2650 | N | 86.1 | Confident | 91.1 | Very high | 20 Ų | 20 | 41.3 Ų | 41.3 | 11% | 0.107 | 22% | 0.221 | C | C | . | . | trans | -132.4 | -168.4 | 168.5 | 76 | 4.4 | 0 | 0 | 0 | 110.3 | D2568 P2570 D2600 L2603 Y2652 G2653 | D2568-N2650 PolarHBondContact O-ND2 2.83Å; P2570-N2650 VanDerWaalsContact CD-OD1 3.28Å; P2570-N2650 WeakPolarHBondContact CD-OD1 3.36Å; D2600-N2650 WeakPolarHBondContact OD2-CB 3.3Å; D2600-N2650 PolarHBondContact OD2-ND2 3.1Å; L2603-N2650 HydrophobicContact CD1-CB 4.43Å; N2650-Y2652 VanDerWaalsContact C-N 3.3Å; N2650-Y2652 PolarHBondContact O-N 2.91Å; N2650-Y2652 WeakPolarHBondContact OD1-CA 3.35Å; N2650-Y2652 WeakPolarHBondContact OD1-CB 3.3Å; N2650-Y2652 PolarHBondContact OD1-N 3.16Å; N2650-G2653 PolarHBondContact N-O 3.02Å; N2650-G2653 PolarHBondContact OD1-N 3.12Å; N2650-G2653 PolarHBondContact OD1-O 2.89Å | ||
| 2651 | Q | 82.4 | Confident | 91.3 | Very high | 98.75 Ų | 98.75 | 41.1 Ų | 41.1 | 46% | 0.461 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -71.7 | -12.7 | 180 | 68.2 | -172.4 | -18.3 | 0 | 0 | 114.7 | K2602 | K2602-Q2651 HydrophobicContact CD-CB 4.32Å; K2602-Q2651 HydrophobicContact CD-CG 4.36Å |
| 2652 | Y | 83.8 | Confident | 91.4 | Very high | 99.5 Ų | 99.5 | 42 Ų | 42 | 39% | 0.39 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -106.4 | -22.2 | -175.4 | -57.7 | -70.4 | 0 | 0 | 0 | 113.3 | L2566 R2567 N2650 | L2566-Y2652 VanDerWaalsContact O-CE2 3.3Å; L2566-Y2652 WeakPolarHBondContact O-CE2 3.42Å; R2567-Y2652 VanDerWaalsContact C-CD2 3.49Å; R2567-Y2652 HydrophobicContact CB-CE1 4.27Å; R2567-Y2652 HydrophobicContact CB-CE2 4.24Å; R2567-Y2652 HydrophobicContact CG-CE1 4.49Å; R2567-Y2652 HydrophobicContact CG-CE2 4.38Å; R2567-Y2652 WeakPolarHBondContact CG-OH 3.43Å; R2567-Y2652 WeakPolarHBondContact O-CD1 3.32Å; R2567-Y2652 VanDerWaalsContact O-CD2 3.29Å; R2567-Y2652 WeakPolarHBondContact O-CD2 3.38Å; N2650-Y2652 VanDerWaalsContact C-N 3.3Å; N2650-Y2652 PolarHBondContact O-N 2.91Å; N2650-Y2652 WeakPolarHBondContact OD1-CA 3.35Å; N2650-Y2652 WeakPolarHBondContact OD1-CB 3.3Å; N2650-Y2652 PolarHBondContact OD1-N 3.16Å |
| 2653 | G | 86.3 | Confident | 91.2 | Very high | 23.25 Ų | 23.25 | 41.9 Ų | 41.9 | 24% | 0.24 | 22% | 0.22 | C | C | . | . | trans | 178.8 | -169.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P2570 N2650 | P2570-G2653 VanDerWaalsContact CD-C 3.43Å; P2570-G2653 VanDerWaalsContact CD-O 3.3Å; P2570-G2653 WeakPolarHBondContact CD-O 3.27Å; P2570-G2653 WeakPolarHBondContact CG-O 3.38Å; N2650-G2653 PolarHBondContact N-O 3.02Å; N2650-G2653 PolarHBondContact OD1-N 3.12Å; N2650-G2653 PolarHBondContact OD1-O 2.89Å | ||
| 2654 | T | 90.7 | Very high | 90.6 | Very high | 82 Ų | 82 | 42.2 Ų | 42.2 | 50% | 0.503 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 141.3 | 175.5 | 62.4 | 0 | 0 | 0 | 0 | 109.4 | A2648 S2649 | A2648-T2654 CarbonylContact O-C 3.52Å; A2648-T2654 VanDerWaalsContact O-CA 3.23Å; A2648-T2654 WeakPolarHBondContact O-CA 3.39Å; A2648-T2654 WeakPolarHBondContact O-CB 3.29Å; S2649-T2654 VanDerWaalsContact CB-CG2 3.46Å |
| 2655 | D | 93 | Very high | 89.4 | Confident | 40.25 Ų | 40.25 | 44.8 Ų | 44.8 | 22% | 0.215 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 155.1 | 172.4 | -168 | 19.5 | 0 | 0 | 0 | 109.4 | P2570 H2571 F2572 A2648 | P2570-D2655 HydrophobicContact CG-CB 4.46Å; P2570-D2655 WeakPolarHBondContact O-CB 3.43Å; H2571-D2655 VanDerWaalsContact CA-OD2 3.28Å; H2571-D2655 WeakPolarHBondContact CA-OD2 3.28Å; H2571-D2655 IonicContact CG-OD2 3.88Å; H2571-D2655 IonicContact ND1-OD2 3.39Å; H2571-D2655 PolarHBondContact ND1-OD2 3.13Å; H2571-D2655 VanDerWaalsContact ND1-OD2 3.1Å; F2572-D2655 HydrophobicContact CD2-CB 4.13Å; F2572-D2655 HydrophobicContact CE2-CB 4.41Å; F2572-D2655 WeakPolarHBondContact CE2-O 3.36Å; F2572-D2655 PolarHBondContact N-OD2 3.05Å; A2648-D2655 PolarHBondContact N-O 2.82Å; A2648-D2655 PolarHBondContact O-N 2.81Å |
| 2656 | E | 94 | Very high | 87.9 | Confident | 89.75 Ų | 89.75 | 49.1 Ų | 49.1 | 42% | 0.419 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 129 | -173.9 | -72.4 | -176.7 | -171.9 | 0 | 0 | 110.8 | T2645 C2646 R2647 | T2645-E2656 HydrophobicContact CG2-CB 4Å; T2645-E2656 HydrophobicContact CG2-CG 4.27Å; C2646-E2656 WeakPolarHBondContact O-CA 3.29Å; R2647-E2656 HydrophobicContact CB-CG 3.82Å; R2647-E2656 WeakPolarHBondContact CD-OE1 3.37Å; R2647-E2656 HydrophobicContact CG-CG 3.65Å; R2647-E2656 WeakPolarHBondContact CG-OE1 3.36Å; R2647-E2656 IonicContact CZ-OE1 3.46Å; R2647-E2656 IonicContact NE-OE1 3.16Å; R2647-E2656 PolarHBondContact NE-OE1 2.98Å; R2647-E2656 IonicContact NH1-OE1 2.89Å; R2647-E2656 PolarHBondContact NH1-OE1 2.67Å; R2647-E2656 IonicContact NH2-OE1 3.58Å |
| 2657 | T | 93.9 | Very high | 85.9 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 140.8 | 171.7 | -172 | 0 | 0 | 0 | 0 | 109.9 | F2572 Q2575 L2576 C2593 T2645 C2646 | F2572-T2657 HydrophobicContact CD1-CG2 3.66Å; F2572-T2657 HydrophobicContact CD2-CG2 3.91Å; F2572-T2657 HydrophobicContact CE1-CG2 3.67Å; F2572-T2657 HydrophobicContact CE2-CG2 3.91Å; F2572-T2657 HydrophobicContact CG-CG2 3.8Å; F2572-T2657 HydrophobicContact CZ-CG2 3.8Å; Q2575-T2657 WeakPolarHBondContact CA-OG1 3.48Å; Q2575-T2657 PolarHBondContact OE1-OG1 3.12Å; L2576-T2657 HydrophobicContact CB-CG2 4.37Å; L2576-T2657 WeakPolarHBondContact CB-OG1 3.47Å; L2576-T2657 HydrophobicContact CD1-CG2 3.85Å; L2576-T2657 HydrophobicContact CG-CG2 3.75Å; L2576-T2657 PolarHBondContact N-OG1 3.09Å; C2593-T2657 HydrophobicContact CB-CG2 4.04Å; T2645-T2657 CarbonylContact C-O 3.53Å; T2645-T2657 VanDerWaalsContact CA-O 3.27Å; T2645-T2657 WeakPolarHBondContact CA-O 3.35Å; C2646-T2657 HydrophobicContact CB-CG2 3.84Å; C2646-T2657 PolarHBondContact N-O 3.13Å; C2646-T2657 PolarHBondContact O-N 3.09Å |
| 2658 | S | 94.3 | Very high | 83.8 | Confident | 51.5 Ų | 51.5 | 57 Ų | 57 | 36% | 0.36 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 138 | -172.1 | -62.4 | 0 | 0 | 0 | 0 | 113.3 | F2644 T2645 | F2644-S2658 CarbonylContact O-C 3.53Å; F2644-S2658 VanDerWaalsContact O-CA 3.28Å; F2644-S2658 WeakPolarHBondContact O-CA 3.3Å; T2645-S2658 WeakPolarHBondContact CB-OG 3.37Å; T2645-S2658 VanDerWaalsContact CG2-OG 3.27Å; T2645-S2658 WeakPolarHBondContact CG2-OG 3.39Å; T2645-S2658 PolarHBondContact OG1-OG 2.87Å |
| 2659 | C | 94.4 | Very high | 81.2 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 131.2 | 171.2 | 176 | 0 | 0 | 0 | 0 | 110.4 | L2576 P2577 L2591 T2643 F2644 L2661 | L2576-C2659 HydrophobicContact CB-CB 4.02Å; L2576-C2659 HydrophobicContact CD1-CB 4.22Å; P2577-C2659 VanDerWaalsContact O-CA 3.31Å; P2577-C2659 WeakPolarHBondContact O-CA 3.26Å; P2577-C2659 WeakPolarHBondContact O-CB 3.35Å; P2577-C2659 PolarHBondContact O-SG 2.97Å; P2577-C2659 VanDerWaalsContact O-SG 3.35Å; L2591-C2659 HydrophobicContact CD2-CB 3.82Å; L2591-C2659 VanDerWaalsContact CD2-SG 3.57Å; T2643-C2659 CarbonylContact C-O 3.57Å; T2643-C2659 WeakPolarHBondContact CA-O 3.28Å; F2644-C2659 PolarHBondContact N-O 2.92Å; F2644-C2659 PolarHBondContact O-N 2.92Å; C2659-L2661 PolarHBondContact O-N 2.83Å |
| 2660 | K | 93.5 | Very high | 79 | Confident | 113.75 Ų | 113.75 | 65.5 Ų | 65.5 | 50% | 0.495 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 108.7 | 169.3 | -172.6 | -179.5 | 178.8 | -175.7 | 0 | 110.4 | A2578 T2579 I2580 G2642 | A2578-K2660 PolarHBondContact O-N 3.17Å; A2578-K2660 VanDerWaalsContact O-N 3.15Å; T2579-K2660 CarbonylContact C-O 3.49Å; T2579-K2660 VanDerWaalsContact CA-O 3.27Å; T2579-K2660 WeakPolarHBondContact CA-O 3.26Å; T2579-K2660 HydrophobicContact CG2-CB 4.42Å; T2579-K2660 WeakPolarHBondContact CG2-O 3.4Å; I2580-K2660 PolarHBondContact N-O 3.06Å; G2642-K2660 CarbonylContact O-C 3.51Å; G2642-K2660 WeakPolarHBondContact O-CA 3.35Å |
| 2661 | L | 92.2 | Very high | 77 | Confident | 1.25 Ų | 1.25 | 69.2 Ų | 69.2 | 1% | 0.007 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 132.1 | 174.7 | -177.6 | 63.1 | 0 | 0 | 0 | 110.5 | I2580 V2583 V2589 I2633 D2640 S2641 G2642 F2644 C2659 V2663 | I2580-L2661 HydrophobicContact CB-CD1 3.94Å; I2580-L2661 HydrophobicContact CG2-CD1 3.86Å; V2583-L2661 HydrophobicContact CB-CD1 4.46Å; V2583-L2661 HydrophobicContact CG2-CD1 3.86Å; V2589-L2661 HydrophobicContact CG1-CD1 3.97Å; V2589-L2661 HydrophobicContact CG1-CD2 4.33Å; V2589-L2661 HydrophobicContact CG2-CD1 4.2Å; V2589-L2661 HydrophobicContact CG2-CD2 4.35Å; I2633-L2661 HydrophobicContact CD1-CD2 3.81Å; D2640-L2661 HydrophobicContact CB-CD2 4.23Å; S2641-L2661 CarbonylContact C-O 3.5Å; S2641-L2661 VanDerWaalsContact CA-O 3.25Å; S2641-L2661 WeakPolarHBondContact CA-O 3.43Å; G2642-L2661 PolarHBondContact N-O 2.84Å; G2642-L2661 PolarHBondContact O-N 3.14Å; F2644-L2661 HydrophobicContact CD2-CB 4Å; F2644-L2661 HydrophobicContact CD2-CD2 4.38Å; F2644-L2661 HydrophobicContact CE2-CB 3.99Å; F2644-L2661 HydrophobicContact CE2-CD2 3.69Å; F2644-L2661 HydrophobicContact CE2-CG 4.42Å; F2644-L2661 HydrophobicContact CZ-CD2 4.41Å; C2659-L2661 PolarHBondContact O-N 2.83Å; L2661-V2663 HydrophobicContact CD1-CG2 4.41Å; L2661-V2663 HydrophobicContact CD2-CG2 3.92Å; L2661-V2663 HydrophobicContact CG-CG2 3.89Å |
| 2662 | T | 90.9 | Very high | 75 | Confident | 62.75 Ų | 62.75 | 71.8 Ų | 71.8 | 39% | 0.385 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 112.1 | 172.6 | -28 | 0 | 0 | 0 | 0 | 109.7 | I2580 G2581 | I2580-T2662 PolarHBondContact O-N 3.01Å; I2580-T2662 PolarHBondContact O-OG1 2.99Å; I2580-T2662 VanDerWaalsContact O-OG1 3.05Å; G2581-T2662 VanDerWaalsContact CA-OG1 3.26Å; G2581-T2662 WeakPolarHBondContact CA-OG1 3.38Å |
| 2663 | V | 88.1 | Confident | 72.8 | Confident | 9.25 Ų | 9.25 | 74 Ų | 74 | 6% | 0.056 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 120.7 | 179.6 | -172.4 | 0 | 0 | 0 | 0 | 109 | V2583 E2585 A2636 Y2637 D2640 S2641 L2661 A2665 | V2583-V2663 HydrophobicContact CB-CG2 4.38Å; V2583-V2663 HydrophobicContact CG1-CG1 4.25Å; V2583-V2663 HydrophobicContact CG1-CG2 4.26Å; V2583-V2663 CarbonylContact O-C 3.53Å; V2583-V2663 WeakPolarHBondContact O-CA 3.29Å; E2585-V2663 HydrophobicContact CB-CG1 4.49Å; A2636-V2663 HydrophobicContact CB-CG1 4.16Å; A2636-V2663 HydrophobicContact CB-CG2 3.98Å; Y2637-V2663 WeakPolarHBondContact O-CB 3.39Å; Y2637-V2663 WeakPolarHBondContact O-CG1 3.33Å; Y2637-V2663 WeakPolarHBondContact O-CG2 3.38Å; D2640-V2663 HydrophobicContact CB-CG2 4.39Å; S2641-V2663 PolarHBondContact OG-N 2.98Å; S2641-V2663 PolarHBondContact OG-O 3.2Å; L2661-V2663 HydrophobicContact CD1-CG2 4.41Å; L2661-V2663 HydrophobicContact CD2-CG2 3.92Å; L2661-V2663 HydrophobicContact CG-CG2 3.89Å; V2663-A2665 PolarHBondContact O-N 3.16Å |
| 2664 | S | 80.2 | Confident | 70.7 | Confident | 58.75 Ų | 58.75 | 79.2 Ų | 79.2 | 41% | 0.411 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 115 | 174.3 | 58.4 | 0 | 0 | 0 | 0 | 110.1 | V2583 K2584 E2585 K2666 | V2583-S2664 PolarHBondContact O-N 3.28Å; V2583-S2664 PolarHBondContact O-OG 2.97Å; V2583-S2664 VanDerWaalsContact O-OG 3.12Å; K2584-S2664 WeakPolarHBondContact CA-OG 3.3Å; E2585-S2664 WeakPolarHBondContact CB-O 3.33Å; E2585-S2664 PolarHBondContact N-O 2.87Å; E2585-S2664 VanDerWaalsContact N-O 3.09Å; S2664-K2666 PolarHBondContact O-N 3.11Å |
| 2665 | A | 69.1 | Low | 68.2 | Low | 53.75 Ų | 53.75 | 77.5 Ų | 77.5 | 44% | 0.444 | 42% | 0.416 | S | S | . | . | trans | -59.7 | 136.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | E2585 A2638 V2663 P2667 | E2585-A2665 WeakPolarHBondContact OE2-CA 3.5Å; A2638-A2665 HydrophobicContact CB-CB 3.74Å; V2663-A2665 PolarHBondContact O-N 3.16Å; A2665-P2667 VanDerWaalsContact O-CD 3.23Å; A2665-P2667 WeakPolarHBondContact O-CD 3.39Å; A2665-P2667 VanDerWaalsContact O-N 3.1Å | ||
| 2666 | K | 63.2 | Low | 65.8 | Low | 104.25 Ų | 104.25 | 80.5 Ų | 80.5 | 45% | 0.453 | 44% | 0.437 | S | S | . | . | trans | -65.3 | 122.8 | 170.7 | -84.5 | 168.4 | 176.4 | 153.1 | 0 | 107.9 | E2585 S2664 T2668 L2669 | E2585-K2666 HydrophobicContact CB-CB 4.31Å; E2585-K2666 HydrophobicContact CB-CD 4.32Å; E2585-K2666 HydrophobicContact CB-CG 4.29Å; E2585-K2666 VanDerWaalsContact O-CE 3.28Å; E2585-K2666 WeakPolarHBondContact O-CE 3.43Å; E2585-K2666 PolarHBondContact O-NZ 2.88Å; E2585-K2666 PolarHBondContact OE2-N 2.9Å; S2664-K2666 PolarHBondContact O-N 3.11Å; K2666-T2668 VanDerWaalsContact C-N 3.28Å; K2666-T2668 PolarHBondContact O-N 3.03Å; K2666-L2669 HydrophobicContact CB-CB 3.78Å; K2666-L2669 HydrophobicContact CB-CD1 4Å; K2666-L2669 HydrophobicContact CD-CD1 4.01Å; K2666-L2669 WeakPolarHBondContact O-CB 3.46Å; K2666-L2669 PolarHBondContact O-N 2.85Å | ||
| 2667 | P | 52.5 | Low | 63.6 | Low | 125 Ų | 125 | 81.3 Ų | 81.3 | 81% | 0.812 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 59.5 | -174.2 | 23.5 | -31.9 | 0 | 0 | 0 | 111.3 | A2665 L2669 | A2665-P2667 VanDerWaalsContact O-CD 3.23Å; A2665-P2667 WeakPolarHBondContact O-CD 3.39Å; A2665-P2667 VanDerWaalsContact O-N 3.1Å; P2667-L2669 PolarHBondContact O-N 2.82Å; P2667-L2669 VanDerWaalsContact O-N 3.1Å |
| 2668 | T | 48 | Very low | 61.7 | Low | 127 Ų | 127 | 84.1 Ų | 84.1 | 78% | 0.779 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 29.9 | 176 | 32 | 0 | 0 | 0 | 0 | 112.2 | K2666 I2670 | K2666-T2668 VanDerWaalsContact C-N 3.28Å; K2666-T2668 PolarHBondContact O-N 3.03Å; T2668-I2670 WeakPolarHBondContact O-CA 3.12Å; T2668-I2670 PolarHBondContact O-N 3.01Å |
| 2669 | L | 39 | Very low | 60.1 | Low | 103 Ų | 103 | 83.7 Ų | 83.7 | 54% | 0.539 | 46% | 0.464 | S | S | . | . | trans | -92.4 | 107.3 | 169.5 | -102.7 | 159 | 0 | 0 | 0 | 108.4 | E2585 K2666 P2667 L2671 | E2585-L2669 HydrophobicContact CG-CD1 4.14Å; K2666-L2669 HydrophobicContact CB-CB 3.78Å; K2666-L2669 HydrophobicContact CB-CD1 4Å; K2666-L2669 HydrophobicContact CD-CD1 4.01Å; K2666-L2669 WeakPolarHBondContact O-CB 3.46Å; K2666-L2669 PolarHBondContact O-N 2.85Å; P2667-L2669 PolarHBondContact O-N 2.82Å; P2667-L2669 VanDerWaalsContact O-N 3.1Å; L2669-L2671 VanDerWaalsContact C-N 3.29Å; L2669-L2671 HydrophobicContact CB-CD1 3.95Å; L2669-L2671 HydrophobicContact CB-CG 4.09Å; L2669-L2671 HydrophobicContact CD2-CD2 4.01Å; L2669-L2671 HydrophobicContact CD2-CG 4.41Å; L2669-L2671 WeakPolarHBondContact O-CG 3.32Å; L2669-L2671 PolarHBondContact O-N 2.86Å; L2669-L2671 VanDerWaalsContact O-N 3.14Å | ||
| 2670 | I | 43.7 | Very low | 58.9 | Low | 109.25 Ų | 109.25 | 84.5 Ų | 84.5 | 56% | 0.56 | 47% | 0.468 | S | S | * | . | trans | -72.2 | 94.8 | 178.7 | -55.2 | 172.4 | 0 | 0 | 0 | 106.7 | T2668 Q2672 Q2674 | T2668-I2670 WeakPolarHBondContact O-CA 3.12Å; T2668-I2670 PolarHBondContact O-N 3.01Å; I2670-Q2672 CarbonylContact C-O 3.49Å; I2670-Q2672 HydrophobicContact CG2-CB 4.06Å; I2670-Q2672 WeakPolarHBondContact CG2-O 3.23Å; I2670-Q2672 CarbonylContact O-C 3.59Å; I2670-Q2672 PolarHBondContact O-N 3.01Å; I2670-Q2674 HydrophobicContact CB-CG 3.93Å; I2670-Q2674 HydrophobicContact CD1-CG 4.2Å; I2670-Q2674 HydrophobicContact CG1-CG 4.44Å; I2670-Q2674 HydrophobicContact CG2-CG 3.77Å; I2670-Q2674 VanDerWaalsContact CG2-NE2 3.31Å | ||
| 2671 | L | 43.7 | Very low | 57.8 | Low | 97 Ų | 97 | 82.9 Ų | 82.9 | 51% | 0.508 | 47% | 0.472 | S | S | . | . | trans | -77.9 | -11 | 178.6 | -72.3 | 168.7 | 0 | 0 | 0 | 112.1 | E2585 Y2637 A2638 L2669 R2673 N2738 | E2585-L2671 HydrophobicContact CG-CD1 3.74Å; E2585-L2671 WeakPolarHBondContact OE1-CB 3.1Å; E2585-L2671 WeakPolarHBondContact OE1-CD1 3.43Å; E2585-L2671 WeakPolarHBondContact OE2-CD1 3.3Å; Y2637-L2671 HydrophobicContact CD1-CD2 4.21Å; Y2637-L2671 HydrophobicContact CE1-CD2 4.32Å; A2638-L2671 HydrophobicContact CB-CD1 4.36Å; L2669-L2671 VanDerWaalsContact C-N 3.29Å; L2669-L2671 HydrophobicContact CB-CD1 3.95Å; L2669-L2671 HydrophobicContact CB-CG 4.09Å; L2669-L2671 HydrophobicContact CD2-CD2 4.01Å; L2669-L2671 HydrophobicContact CD2-CG 4.41Å; L2669-L2671 WeakPolarHBondContact O-CG 3.32Å; L2669-L2671 PolarHBondContact O-N 2.86Å; L2669-L2671 VanDerWaalsContact O-N 3.14Å; L2671-R2673 PolarHBondContact O-N 2.97Å; L2671-R2673 VanDerWaalsContact O-N 3.16Å; L2671-N2738 WeakPolarHBondContact CD2-OD1 3.3Å | ||
| 2672 | Q | 40 | Very low | 56.7 | Low | 153 Ų | 153 | 85.8 Ų | 85.8 | 72% | 0.715 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -61 | 119.6 | 162.1 | -82.5 | -175.3 | -14.5 | 0 | 0 | 109.5 | E2639 I2670 Q2674 | E2639-Q2672 VanDerWaalsContact OE1-C 3.22Å; E2639-Q2672 WeakPolarHBondContact OE1-CA 3.31Å; I2670-Q2672 CarbonylContact C-O 3.49Å; I2670-Q2672 HydrophobicContact CG2-CB 4.06Å; I2670-Q2672 WeakPolarHBondContact CG2-O 3.23Å; I2670-Q2672 CarbonylContact O-C 3.59Å; I2670-Q2672 PolarHBondContact O-N 3.01Å; Q2672-Q2674 VanDerWaalsContact C-N 3.3Å; Q2672-Q2674 HydrophobicContact CB-CG 4.36Å; Q2672-Q2674 WeakPolarHBondContact O-CG 3.39Å; Q2672-Q2674 PolarHBondContact O-N 3.01Å; Q2672-Q2674 PolarHBondContact O-NE2 2.9Å |
| 2673 | R | 38 | Very low | 55.7 | Low | 145.75 Ų | 145.75 | 83.4 Ų | 83.4 | 55% | 0.55 | 47% | 0.472 | S | S | * | . | trans | -44.3 | 96.1 | 165.7 | -116.2 | 172.9 | -175.3 | 175.3 | 0.6 | 109.6 | E2639 L2671 A2675 P2677 V2678 | E2639-R2673 VanDerWaalsContact CD-CB 3.43Å; E2639-R2673 HydrophobicContact CG-CB 3.84Å; E2639-R2673 HydrophobicContact CG-CG 4.46Å; E2639-R2673 PolarHBondContact OE1-N 3.32Å; E2639-R2673 WeakPolarHBondContact OE2-CB 3.37Å; E2639-R2673 WeakPolarHBondContact OE2-CD 3.47Å; E2639-R2673 WeakPolarHBondContact OE2-CG 3.36Å; E2639-R2673 PolarHBondContact OE2-N 2.86Å; E2639-R2673 IonicContact OE2-NE 3.49Å; L2671-R2673 PolarHBondContact O-N 2.97Å; L2671-R2673 VanDerWaalsContact O-N 3.16Å; R2673-A2675 VanDerWaalsContact C-N 3.33Å; R2673-A2675 CarbonylContact C-O 3.56Å; R2673-A2675 VanDerWaalsContact C-O 3.3Å; R2673-A2675 WeakPolarHBondContact CA-O 3.41Å; R2673-A2675 VanDerWaalsContact CB-O 3.24Å; R2673-A2675 WeakPolarHBondContact CB-O 3.49Å; R2673-A2675 HydrophobicContact CG-CB 4.34Å; R2673-A2675 PolarHBondContact O-N 2.92Å; R2673-A2675 VanDerWaalsContact O-O 3.09Å; R2673-P2677 VanDerWaalsContact NE-C 3.32Å; R2673-P2677 VanDerWaalsContact NE-CA 3.33Å; R2673-P2677 VanDerWaalsContact NH1-CA 3.31Å; R2673-P2677 VanDerWaalsContact NH2-C 3.27Å; R2673-V2678 HydrophobicContact CG-CB 4.32Å; R2673-V2678 HydrophobicContact CG-CG2 3.79Å; R2673-V2678 VanDerWaalsContact CZ-CG2 3.49Å; R2673-V2678 VanDerWaalsContact NH2-C 3.34Å; R2673-V2678 PolarHBondContact NH2-O 3.49Å | ||
| 2674 | Q | 41.6 | Very low | 55.1 | Low | 132.75 Ų | 132.75 | 87 Ų | 87 | 62% | 0.62 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -76.3 | -12 | 171.3 | -65.5 | -111.5 | -49.1 | 0 | 0 | 111.4 | I2670 Q2672 | I2670-Q2674 HydrophobicContact CB-CG 3.93Å; I2670-Q2674 HydrophobicContact CD1-CG 4.2Å; I2670-Q2674 HydrophobicContact CG1-CG 4.44Å; I2670-Q2674 HydrophobicContact CG2-CG 3.77Å; I2670-Q2674 VanDerWaalsContact CG2-NE2 3.31Å; Q2672-Q2674 VanDerWaalsContact C-N 3.3Å; Q2672-Q2674 HydrophobicContact CB-CG 4.36Å; Q2672-Q2674 WeakPolarHBondContact O-CG 3.39Å; Q2672-Q2674 PolarHBondContact O-N 3.01Å; Q2672-Q2674 PolarHBondContact O-NE2 2.9Å |
| 2675 | A | 37.9 | Very low | 54.9 | Low | 46.5 Ų | 46.5 | 91.5 Ų | 91.5 | 38% | 0.384 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -82.8 | 136.7 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | R2673 V2678 D2682 | R2673-A2675 VanDerWaalsContact C-N 3.33Å; R2673-A2675 CarbonylContact C-O 3.56Å; R2673-A2675 VanDerWaalsContact C-O 3.3Å; R2673-A2675 WeakPolarHBondContact CA-O 3.41Å; R2673-A2675 VanDerWaalsContact CB-O 3.24Å; R2673-A2675 WeakPolarHBondContact CB-O 3.49Å; R2673-A2675 HydrophobicContact CG-CB 4.34Å; R2673-A2675 PolarHBondContact O-N 2.92Å; R2673-A2675 VanDerWaalsContact O-O 3.09Å; A2675-V2678 HydrophobicContact CB-CG2 4.17Å; A2675-D2682 HydrophobicContact CB-CB 3.83Å; A2675-D2682 WeakPolarHBondContact CB-OD1 3.47Å; A2675-D2682 WeakPolarHBondContact CB-OD2 3.43Å |
| 2676 | P | 42.8 | Very low | 55 | Low | 103.25 Ų | 103.25 | 91.9 Ų | 91.9 | 67% | 0.67 | 49% | 0.487 | S | S | * | . | trans | -49.7 | 153.6 | 166.8 | 11.7 | -17.2 | 0 | 0 | 0 | 110 | V2678 | P2676-V2678 WeakPolarHBondContact O-CA 3.45Å; P2676-V2678 PolarHBondContact O-N 3.04Å | ||
| 2677 | P | 49.5 | Very low | 55.7 | Low | 106.5 Ų | 106.5 | 87 Ų | 87 | 69% | 0.692 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -46.3 | 120.7 | -179.7 | 9.6 | -17.1 | 0 | 0 | 0 | 109.7 | R2673 S2679 | R2673-P2677 VanDerWaalsContact NE-C 3.32Å; R2673-P2677 VanDerWaalsContact NE-CA 3.33Å; R2673-P2677 VanDerWaalsContact NH1-CA 3.31Å; R2673-P2677 VanDerWaalsContact NH2-C 3.27Å; P2677-S2679 WeakPolarHBondContact O-CA 3.43Å; P2677-S2679 PolarHBondContact O-N 3.17Å |
| 2678 | V | 52.9 | Low | 56.9 | Low | 62.5 Ų | 62.5 | 84.4 Ų | 84.4 | 38% | 0.379 | 45% | 0.451 | S | S | . | . | trans | -33.4 | 90.2 | -172.5 | 179.6 | 0 | 0 | 0 | 0 | 109.5 | R2673 A2675 P2676 M2680 D2682 L2683 | R2673-V2678 HydrophobicContact CG-CB 4.32Å; R2673-V2678 HydrophobicContact CG-CG2 3.79Å; R2673-V2678 VanDerWaalsContact CZ-CG2 3.49Å; R2673-V2678 VanDerWaalsContact NH2-C 3.34Å; R2673-V2678 PolarHBondContact NH2-O 3.49Å; A2675-V2678 HydrophobicContact CB-CG2 4.17Å; P2676-V2678 WeakPolarHBondContact O-CA 3.45Å; P2676-V2678 PolarHBondContact O-N 3.04Å; V2678-M2680 PolarHBondContact O-N 2.92Å; V2678-D2682 HydrophobicContact CG1-CB 3.96Å; V2678-L2683 HydrophobicContact CG1-CB 3.93Å; V2678-L2683 HydrophobicContact CG1-CD1 4.08Å | ||
| 2679 | S | 61.5 | Low | 58 | Low | 41.75 Ų | 41.75 | 83.9 Ų | 83.9 | 29% | 0.292 | 44% | 0.44 | S | S | . | . | trans | -77.2 | 144.1 | 172.4 | 105.7 | 0 | 0 | 0 | 0 | 107.6 | P2677 S2681 D2682 L2683 | P2677-S2679 WeakPolarHBondContact O-CA 3.43Å; P2677-S2679 PolarHBondContact O-N 3.17Å; S2679-S2681 WeakPolarHBondContact CB-OG 3.2Å; S2679-S2681 CarbonylContact O-C 3.47Å; S2679-S2681 PolarHBondContact O-N 3.14Å; S2679-S2681 VanDerWaalsContact O-N 3.08Å; S2679-S2681 WeakPolarHBondContact OG-CB 3.48Å; S2679-S2681 PolarHBondContact OG-N 2.9Å; S2679-S2681 PolarHBondContact OG-OG 3.31Å; S2679-D2682 WeakPolarHBondContact CB-OD2 3.38Å; S2679-D2682 PolarHBondContact N-OD2 2.79Å; S2679-D2682 VanDerWaalsContact N-OD2 3.11Å; S2679-D2682 WeakPolarHBondContact O-CA 3.35Å; S2679-D2682 WeakPolarHBondContact O-CB 3.38Å; S2679-D2682 PolarHBondContact O-N 3.26Å; S2679-D2682 VanDerWaalsContact O-N 3.17Å; S2679-D2682 PolarHBondContact OG-N 3.24Å; S2679-D2682 VanDerWaalsContact OG-N 3.16Å; S2679-D2682 PolarHBondContact OG-OD2 2.99Å; S2679-L2683 PolarHBondContact O-N 3.15Å | ||
| 2680 | M | 69.1 | Low | 59.5 | Low | 17.75 Ų | 17.75 | 82.8 Ų | 82.8 | 9% | 0.087 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -57.7 | -23.2 | 174 | -101.8 | -42.7 | -17.5 | 0 | 0 | 112.4 | V2678 D2682 L2683 K2684 L2697 N2698 D2699 L2702 | V2678-M2680 PolarHBondContact O-N 2.92Å; M2680-D2682 VanDerWaalsContact C-N 3.34Å; M2680-L2683 HydrophobicContact CE-CB 4.35Å; M2680-L2683 HydrophobicContact CE-CD2 3.82Å; M2680-L2683 PolarHBondContact O-N 2.8Å; M2680-L2683 HydrophobicContact SD-CB 4.45Å; M2680-L2683 HydrophobicContact SD-CD2 4.07Å; M2680-K2684 HydrophobicContact CE-CD 4.41Å; M2680-K2684 HydrophobicContact CE-CG 4.09Å; M2680-K2684 HydrophobicContact CG-CD 4.47Å; M2680-K2684 VanDerWaalsContact O-CB 3.27Å; M2680-K2684 WeakPolarHBondContact O-CB 3.33Å; M2680-K2684 VanDerWaalsContact O-CG 3.25Å; M2680-K2684 WeakPolarHBondContact O-CG 3.35Å; M2680-K2684 PolarHBondContact O-N 2.92Å; M2680-L2697 VanDerWaalsContact CE-C 3.41Å; M2680-L2697 HydrophobicContact CE-CB 3.8Å; M2680-L2697 VanDerWaalsContact CE-O 3.31Å; M2680-L2697 WeakPolarHBondContact CE-O 3.32Å; M2680-L2697 HydrophobicContact SD-CB 4.42Å; M2680-N2698 WeakPolarHBondContact CE-O 3.39Å; M2680-N2698 VanDerWaalsContact CG-C 3.42Å; M2680-N2698 VanDerWaalsContact SD-C 3.53Å; M2680-D2699 VanDerWaalsContact CB-OD1 3.27Å; M2680-D2699 WeakPolarHBondContact CB-OD1 3.11Å; M2680-D2699 HydrophobicContact CG-CB 4.39Å; M2680-D2699 WeakPolarHBondContact CG-OD1 3.33Å; M2680-L2702 HydrophobicContact CE-CD1 3.8Å; M2680-L2702 HydrophobicContact CE-CD2 4.06Å; M2680-L2702 HydrophobicContact CE-CG 3.77Å |
| 2681 | S | 69.2 | Low | 61.1 | Low | 80 Ų | 80 | 78.1 Ų | 78.1 | 56% | 0.559 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.7 | -43.3 | 169 | 25 | 0 | 0 | 0 | 0 | 113.3 | S2679 K2684 R2685 | S2679-S2681 WeakPolarHBondContact CB-OG 3.2Å; S2679-S2681 CarbonylContact O-C 3.47Å; S2679-S2681 PolarHBondContact O-N 3.14Å; S2679-S2681 VanDerWaalsContact O-N 3.08Å; S2679-S2681 WeakPolarHBondContact OG-CB 3.48Å; S2679-S2681 PolarHBondContact OG-N 2.9Å; S2679-S2681 PolarHBondContact OG-OG 3.31Å; S2681-K2684 PolarHBondContact O-N 2.89Å; S2681-R2685 WeakPolarHBondContact O-CB 3.47Å; S2681-R2685 PolarHBondContact O-N 3.07Å |
| 2682 | D | 69.3 | Low | 62.8 | Low | 62.5 Ų | 62.5 | 83.5 Ų | 83.5 | 33% | 0.334 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.5 | -41.1 | 178 | -63.1 | -53.4 | 0 | 0 | 0 | 111.2 | A2675 V2678 S2679 M2680 K2684 R2685 H2686 | A2675-D2682 HydrophobicContact CB-CB 3.83Å; A2675-D2682 WeakPolarHBondContact CB-OD1 3.47Å; A2675-D2682 WeakPolarHBondContact CB-OD2 3.43Å; V2678-D2682 HydrophobicContact CG1-CB 3.96Å; S2679-D2682 WeakPolarHBondContact CB-OD2 3.38Å; S2679-D2682 PolarHBondContact N-OD2 2.79Å; S2679-D2682 VanDerWaalsContact N-OD2 3.11Å; S2679-D2682 WeakPolarHBondContact O-CA 3.35Å; S2679-D2682 WeakPolarHBondContact O-CB 3.38Å; S2679-D2682 PolarHBondContact O-N 3.26Å; S2679-D2682 VanDerWaalsContact O-N 3.17Å; S2679-D2682 PolarHBondContact OG-N 3.24Å; S2679-D2682 VanDerWaalsContact OG-N 3.16Å; S2679-D2682 PolarHBondContact OG-OD2 2.99Å; M2680-D2682 VanDerWaalsContact C-N 3.34Å; D2682-K2684 VanDerWaalsContact C-N 3.33Å; D2682-K2684 PolarHBondContact O-N 2.9Å; D2682-R2685 PolarHBondContact O-N 2.95Å; D2682-R2685 IonicContact OD1-CZ 3.34Å; D2682-R2685 IonicContact OD1-NH1 2.61Å; D2682-R2685 PolarHBondContact OD1-NH1 2.79Å; D2682-R2685 IonicContact OD1-NH2 3.72Å; D2682-R2685 PolarHBondContact OD1-NH2 3.1Å; D2682-H2686 VanDerWaalsContact O-CB 3.28Å; D2682-H2686 WeakPolarHBondContact O-CB 3.27Å; D2682-H2686 PolarHBondContact O-N 2.87Å |
| 2683 | L | 70.3 | Confident | 64.8 | Low | 11 Ų | 11 | 78.8 Ų | 78.8 | 6% | 0.058 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 174.1 | -168.8 | 106.7 | 0 | 0 | 0 | 110.7 | V2678 S2679 M2680 R2685 H2686 L2687 L2697 V2737 | V2678-L2683 HydrophobicContact CG1-CB 3.93Å; V2678-L2683 HydrophobicContact CG1-CD1 4.08Å; S2679-L2683 PolarHBondContact O-N 3.15Å; M2680-L2683 HydrophobicContact CE-CB 4.35Å; M2680-L2683 HydrophobicContact CE-CD2 3.82Å; M2680-L2683 PolarHBondContact O-N 2.8Å; M2680-L2683 HydrophobicContact SD-CB 4.45Å; M2680-L2683 HydrophobicContact SD-CD2 4.07Å; L2683-R2685 VanDerWaalsContact C-N 3.33Å; L2683-R2685 PolarHBondContact O-N 3.09Å; L2683-H2686 PolarHBondContact O-N 2.86Å; L2683-L2687 HydrophobicContact CD1-CD1 3.98Å; L2683-L2687 HydrophobicContact CD1-CG 3.95Å; L2683-L2687 HydrophobicContact CD2-CD1 3.79Å; L2683-L2687 HydrophobicContact CD2-CG 4.25Å; L2683-L2687 HydrophobicContact CG-CD1 4.1Å; L2683-L2687 HydrophobicContact CG-CG 4.39Å; L2683-L2687 WeakPolarHBondContact O-CB 3.46Å; L2683-L2687 VanDerWaalsContact O-CG 3.26Å; L2683-L2687 WeakPolarHBondContact O-CG 3.35Å; L2683-L2687 PolarHBondContact O-N 3.17Å; L2683-L2697 HydrophobicContact CD2-CB 4.22Å; L2683-L2697 HydrophobicContact CD2-CD1 3.97Å; L2683-V2737 HydrophobicContact CD1-CG1 3.95Å; L2683-V2737 HydrophobicContact CD2-CG1 4.08Å |
| 2684 | K | 76.1 | Confident | 66.9 | Low | 86.5 Ų | 86.5 | 78.4 Ų | 78.4 | 38% | 0.376 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 175.7 | -78.8 | -179.3 | -178.1 | -159 | 0 | 112.3 | M2680 S2681 D2682 L2687 S2688 I2695 L2697 | M2680-K2684 HydrophobicContact CE-CD 4.41Å; M2680-K2684 HydrophobicContact CE-CG 4.09Å; M2680-K2684 HydrophobicContact CG-CD 4.47Å; M2680-K2684 VanDerWaalsContact O-CB 3.27Å; M2680-K2684 WeakPolarHBondContact O-CB 3.33Å; M2680-K2684 VanDerWaalsContact O-CG 3.25Å; M2680-K2684 WeakPolarHBondContact O-CG 3.35Å; M2680-K2684 PolarHBondContact O-N 2.92Å; S2681-K2684 PolarHBondContact O-N 2.89Å; D2682-K2684 VanDerWaalsContact C-N 3.33Å; D2682-K2684 PolarHBondContact O-N 2.9Å; K2684-L2687 PolarHBondContact O-N 2.91Å; K2684-S2688 VanDerWaalsContact O-CB 3.31Å; K2684-S2688 WeakPolarHBondContact O-CB 3.34Å; K2684-S2688 PolarHBondContact O-N 3.12Å; K2684-S2688 PolarHBondContact O-OG 2.77Å; K2684-I2695 HydrophobicContact CB-CD1 4.14Å; K2684-I2695 HydrophobicContact CD-CB 4.43Å; K2684-I2695 HydrophobicContact CD-CG2 4.41Å; K2684-I2695 VanDerWaalsContact CE-O 3.32Å; K2684-I2695 WeakPolarHBondContact CE-O 3.19Å; K2684-I2695 HydrophobicContact CG-CB 4.02Å; K2684-I2695 HydrophobicContact CG-CD1 4.21Å; K2684-I2695 HydrophobicContact CG-CG2 3.73Å; K2684-I2695 PolarHBondContact NZ-O 2.86Å; K2684-I2695 VanDerWaalsContact O-CD1 3.25Å; K2684-I2695 WeakPolarHBondContact O-CD1 3.34Å; K2684-L2697 WeakPolarHBondContact CE-O 3.37Å; K2684-L2697 PolarHBondContact NZ-O 3.18Å |
| 2685 | R | 74.7 | Confident | 68.9 | Low | 153.5 Ų | 153.5 | 73.5 Ų | 73.5 | 58% | 0.579 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.6 | -43 | 176.4 | -175.1 | -178.3 | 113.9 | -159.7 | -9.3 | 111.9 | S2681 D2682 L2683 L2687 S2688 Q2689 | S2681-R2685 WeakPolarHBondContact O-CB 3.47Å; S2681-R2685 PolarHBondContact O-N 3.07Å; D2682-R2685 PolarHBondContact O-N 2.95Å; D2682-R2685 IonicContact OD1-CZ 3.34Å; D2682-R2685 IonicContact OD1-NH1 2.61Å; D2682-R2685 PolarHBondContact OD1-NH1 2.79Å; D2682-R2685 IonicContact OD1-NH2 3.72Å; D2682-R2685 PolarHBondContact OD1-NH2 3.1Å; L2683-R2685 VanDerWaalsContact C-N 3.33Å; L2683-R2685 PolarHBondContact O-N 3.09Å; R2685-L2687 VanDerWaalsContact C-N 3.3Å; R2685-L2687 PolarHBondContact O-N 3.31Å; R2685-S2688 WeakPolarHBondContact CA-OG 3.25Å; R2685-S2688 PolarHBondContact O-N 2.96Å; R2685-S2688 VanDerWaalsContact O-N 3.16Å; R2685-S2688 PolarHBondContact O-OG 3.04Å; R2685-Q2689 PolarHBondContact O-NE2 2.95Å |
| 2686 | H | 73.1 | Confident | 71.1 | Confident | 61.5 Ų | 61.5 | 75.5 Ų | 75.5 | 29% | 0.285 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 178.2 | -177.7 | 74.1 | 0 | 0 | 0 | 111.9 | D2682 L2683 S2688 Q2689 Y2690 D2764 | D2682-H2686 VanDerWaalsContact O-CB 3.28Å; D2682-H2686 WeakPolarHBondContact O-CB 3.27Å; D2682-H2686 PolarHBondContact O-N 2.87Å; L2683-H2686 PolarHBondContact O-N 2.86Å; H2686-S2688 VanDerWaalsContact C-N 3.29Å; H2686-S2688 PolarHBondContact O-N 2.84Å; H2686-Q2689 PolarHBondContact CE1-NE2 3.09Å; H2686-Q2689 PolarHBondContact ND1-NE2 3.22Å; H2686-Q2689 VanDerWaalsContact ND1-NE2 3.16Å; H2686-Q2689 WeakPolarHBondContact O-CB 3.32Å; H2686-Q2689 VanDerWaalsContact O-CD 3.27Å; H2686-Q2689 WeakPolarHBondContact O-CG 3.44Å; H2686-Q2689 PolarHBondContact O-N 3.16Å; H2686-Q2689 VanDerWaalsContact O-N 3.12Å; H2686-Q2689 PolarHBondContact O-NE2 3.01Å; H2686-Q2689 VanDerWaalsContact O-NE2 3.14Å; H2686-Y2690 AromaticContact CD2-CE2 3.9Å; H2686-Y2690 AromaticContact CE1-CE2 3.8Å; H2686-Y2690 AromaticContact NE2-CE2 3.64Å; H2686-Y2690 WeakPolarHBondContact NE2-CE2 3.33Å; H2686-Y2690 WeakPolarHBondContact O-CD2 3.25Å; H2686-D2764 IonicContact CD2-OD2 3.55Å; H2686-D2764 PolarHBondContact CD2-OD2 2.92Å; H2686-D2764 IonicContact CE1-OD2 3.13Å; H2686-D2764 IonicContact NE2-OD1 2.99Å; H2686-D2764 IonicContact NE2-OD2 3.41Å; H2686-D2764 PolarHBondContact NE2-OD2 2.82Å |
| 2687 | L | 76.8 | Confident | 73 | Confident | 0.25 Ų | 0.25 | 70.6 Ų | 70.6 | 0% | 0.001 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.5 | -31.6 | 177.8 | -67.6 | -176.8 | 0 | 0 | 0 | 112.8 | L2683 K2684 R2685 Q2689 Y2690 T2691 I2695 L2697 Y2767 | L2683-L2687 HydrophobicContact CD1-CD1 3.98Å; L2683-L2687 HydrophobicContact CD1-CG 3.95Å; L2683-L2687 HydrophobicContact CD2-CD1 3.79Å; L2683-L2687 HydrophobicContact CD2-CG 4.25Å; L2683-L2687 HydrophobicContact CG-CD1 4.1Å; L2683-L2687 HydrophobicContact CG-CG 4.39Å; L2683-L2687 WeakPolarHBondContact O-CB 3.46Å; L2683-L2687 VanDerWaalsContact O-CG 3.26Å; L2683-L2687 WeakPolarHBondContact O-CG 3.35Å; L2683-L2687 PolarHBondContact O-N 3.17Å; K2684-L2687 PolarHBondContact O-N 2.91Å; R2685-L2687 VanDerWaalsContact C-N 3.3Å; R2685-L2687 PolarHBondContact O-N 3.31Å; L2687-Q2689 PolarHBondContact O-N 3.03Å; L2687-Q2689 VanDerWaalsContact O-N 3.11Å; L2687-Y2690 HydrophobicContact CD2-CD2 4.44Å; L2687-Y2690 PolarHBondContact O-N 3.26Å; L2687-T2691 VanDerWaalsContact O-CG2 3.32Å; L2687-T2691 WeakPolarHBondContact O-CG2 3.41Å; L2687-T2691 PolarHBondContact O-N 3Å; L2687-T2691 VanDerWaalsContact O-N 3.14Å; L2687-I2695 HydrophobicContact CB-CD1 3.7Å; L2687-I2695 HydrophobicContact CB-CG1 4.42Å; L2687-I2695 HydrophobicContact CD1-CG2 4.18Å; L2687-L2697 HydrophobicContact CD1-CD1 3.95Å; L2687-Y2767 VanDerWaalsContact CD2-CB 3.44Å; L2687-Y2767 HydrophobicContact CD2-CG 4.09Å |
| 2688 | S | 77 | Confident | 74.5 | Confident | 71.5 Ų | 71.5 | 68.3 Ų | 68.3 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.2 | -16.4 | 178.6 | 70.6 | 0 | 0 | 0 | 0 | 114.7 | K2684 R2685 H2686 Y2690 | K2684-S2688 VanDerWaalsContact O-CB 3.31Å; K2684-S2688 WeakPolarHBondContact O-CB 3.34Å; K2684-S2688 PolarHBondContact O-N 3.12Å; K2684-S2688 PolarHBondContact O-OG 2.77Å; R2685-S2688 WeakPolarHBondContact CA-OG 3.25Å; R2685-S2688 PolarHBondContact O-N 2.96Å; R2685-S2688 VanDerWaalsContact O-N 3.16Å; R2685-S2688 PolarHBondContact O-OG 3.04Å; H2686-S2688 VanDerWaalsContact C-N 3.29Å; H2686-S2688 PolarHBondContact O-N 2.84Å; S2688-Y2690 VanDerWaalsContact C-N 3.34Å |
| 2689 | Q | 72.9 | Confident | 75.7 | Confident | 116.25 Ų | 116.25 | 70.4 Ų | 70.4 | 54% | 0.543 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -26.1 | 172.1 | 56.4 | -174.8 | -5.1 | 0 | 0 | 112.6 | R2685 H2686 L2687 | R2685-Q2689 PolarHBondContact O-NE2 2.95Å; H2686-Q2689 PolarHBondContact CE1-NE2 3.09Å; H2686-Q2689 PolarHBondContact ND1-NE2 3.22Å; H2686-Q2689 VanDerWaalsContact ND1-NE2 3.16Å; H2686-Q2689 WeakPolarHBondContact O-CB 3.32Å; H2686-Q2689 VanDerWaalsContact O-CD 3.27Å; H2686-Q2689 WeakPolarHBondContact O-CG 3.44Å; H2686-Q2689 PolarHBondContact O-N 3.16Å; H2686-Q2689 VanDerWaalsContact O-N 3.12Å; H2686-Q2689 PolarHBondContact O-NE2 3.01Å; H2686-Q2689 VanDerWaalsContact O-NE2 3.14Å; L2687-Q2689 PolarHBondContact O-N 3.03Å; L2687-Q2689 VanDerWaalsContact O-N 3.11Å |
| 2690 | Y | 69.3 | Low | 76.8 | Confident | 80 Ų | 80 | 75.4 Ų | 75.4 | 31% | 0.314 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -33.8 | -177.3 | -58.8 | -59.6 | 0 | 0 | 0 | 112.3 | H2686 L2687 S2688 R2729 D2764 | H2686-Y2690 AromaticContact CD2-CE2 3.9Å; H2686-Y2690 AromaticContact CE1-CE2 3.8Å; H2686-Y2690 AromaticContact NE2-CE2 3.64Å; H2686-Y2690 WeakPolarHBondContact NE2-CE2 3.33Å; H2686-Y2690 WeakPolarHBondContact O-CD2 3.25Å; L2687-Y2690 HydrophobicContact CD2-CD2 4.44Å; L2687-Y2690 PolarHBondContact O-N 3.26Å; S2688-Y2690 VanDerWaalsContact C-N 3.34Å; Y2690-R2729 VanDerWaalsContact O-CZ 3.24Å; Y2690-R2729 PolarHBondContact O-NH1 3.02Å; Y2690-R2729 PolarHBondContact O-NH2 2.93Å; Y2690-D2764 WeakPolarHBondContact CE2-OD2 3.18Å |
| 2691 | T | 78.3 | Confident | 77.7 | Confident | 10.5 Ų | 10.5 | 75.8 Ų | 75.8 | 6% | 0.064 | 37% | 0.373 | C | S | . | . | trans | -130.6 | 152 | -172.2 | -173.3 | 0 | 0 | 0 | 0 | 113.2 | L2687 M2693 I2695 E2731 Y2767 | L2687-T2691 VanDerWaalsContact O-CG2 3.32Å; L2687-T2691 WeakPolarHBondContact O-CG2 3.41Å; L2687-T2691 PolarHBondContact O-N 3Å; L2687-T2691 VanDerWaalsContact O-N 3.14Å; T2691-M2693 HydrophobicContact CG2-CB 4.48Å; T2691-M2693 VanDerWaalsContact OG1-CB 3.29Å; T2691-M2693 WeakPolarHBondContact OG1-CB 3.33Å; T2691-M2693 PolarHBondContact OG1-N 2.91Å; T2691-I2695 HydrophobicContact CG2-CG1 4.44Å; T2691-E2731 WeakPolarHBondContact CB-OE2 3.38Å; T2691-E2731 VanDerWaalsContact OG1-CD 3.28Å; T2691-E2731 PolarHBondContact OG1-OE1 2.79Å; T2691-E2731 PolarHBondContact OG1-OE2 3.1Å; T2691-Y2767 VanDerWaalsContact CB-CE2 3.46Å; T2691-Y2767 HydrophobicContact CG2-CD2 4.08Å; T2691-Y2767 HydrophobicContact CG2-CE2 3.73Å | ||
| 2692 | K | 79 | Confident | 78.3 | Confident | 209.75 Ų | 209.75 | 74 Ų | 74 | 91% | 0.912 | 36% | 0.357 | S | S | * | . | trans | -97.6 | -3 | 167.6 | -64.7 | -177.2 | -179.6 | 177.7 | 0 | 112.6 | ||||
| 2693 | M | 81.1 | Confident | 78.9 | Confident | 55.75 Ų | 55.75 | 73.5 Ų | 73.5 | 28% | 0.275 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -72.3 | 144.6 | 178.7 | -155 | 178.1 | 69.1 | 0 | 0 | 111.1 | T2691 I2695 T2715 E2731 Q2733 Y2767 | T2691-M2693 HydrophobicContact CG2-CB 4.48Å; T2691-M2693 VanDerWaalsContact OG1-CB 3.29Å; T2691-M2693 WeakPolarHBondContact OG1-CB 3.33Å; T2691-M2693 PolarHBondContact OG1-N 2.91Å; M2693-I2695 PolarHBondContact O-N 2.99Å; M2693-T2715 HydrophobicContact CE-CG2 3.8Å; M2693-T2715 VanDerWaalsContact CE-OG1 3.27Å; M2693-T2715 WeakPolarHBondContact CE-OG1 3.38Å; M2693-T2715 HydrophobicContact CG-CG2 4.41Å; M2693-T2715 HydrophobicContact SD-CG2 3.76Å; M2693-E2731 HydrophobicContact CE-CB 4.43Å; M2693-E2731 HydrophobicContact CE-CG 4.09Å; M2693-E2731 HydrophobicContact SD-CG 4.13Å; M2693-Q2733 HydrophobicContact CE-CB 4.44Å; M2693-Q2733 HydrophobicContact CE-CG 3.9Å; M2693-Q2733 VanDerWaalsContact CE-NE2 3.28Å; M2693-Y2767 HydrophobicContact CE-CE2 4.36Å |
| 2694 | D | 82.9 | Confident | 79.4 | Confident | 136.5 Ų | 136.5 | 76.1 Ų | 76.1 | 73% | 0.73 | 36% | 0.362 | S | S | * | . | trans | -59.3 | 130.4 | 175.1 | -73.8 | -34.9 | 0 | 0 | 0 | 111.3 | L2696 Q2733 | D2694-L2696 HydrophobicContact CB-CD2 4.5Å; D2694-L2696 PolarHBondContact O-N 3.02Å; D2694-Q2733 PolarHBondContact O-NE2 2.92Å | ||
| 2695 | I | 83 | Confident | 79.3 | Confident | 29 Ų | 29 | 80.5 Ų | 80.5 | 15% | 0.149 | 39% | 0.385 | C | S | . | . | trans | -88 | 100.3 | -177.2 | -55.3 | 165.6 | 0 | 0 | 0 | 109.5 | K2684 L2687 T2691 M2693 L2697 | K2684-I2695 HydrophobicContact CB-CD1 4.14Å; K2684-I2695 HydrophobicContact CD-CB 4.43Å; K2684-I2695 HydrophobicContact CD-CG2 4.41Å; K2684-I2695 VanDerWaalsContact CE-O 3.32Å; K2684-I2695 WeakPolarHBondContact CE-O 3.19Å; K2684-I2695 HydrophobicContact CG-CB 4.02Å; K2684-I2695 HydrophobicContact CG-CD1 4.21Å; K2684-I2695 HydrophobicContact CG-CG2 3.73Å; K2684-I2695 PolarHBondContact NZ-O 2.86Å; K2684-I2695 VanDerWaalsContact O-CD1 3.25Å; K2684-I2695 WeakPolarHBondContact O-CD1 3.34Å; L2687-I2695 HydrophobicContact CB-CD1 3.7Å; L2687-I2695 HydrophobicContact CB-CG1 4.42Å; L2687-I2695 HydrophobicContact CD1-CG2 4.18Å; T2691-I2695 HydrophobicContact CG2-CG1 4.44Å; M2693-I2695 PolarHBondContact O-N 2.99Å; I2695-L2697 VanDerWaalsContact C-N 3.31Å; I2695-L2697 HydrophobicContact CG2-CB 4.05Å; I2695-L2697 HydrophobicContact CG2-CD1 4.46Å; I2695-L2697 HydrophobicContact CG2-CG 4.47Å | ||
| 2696 | L | 84.4 | Confident | 79.4 | Confident | 88.75 Ų | 88.75 | 76.5 Ų | 76.5 | 47% | 0.465 | 39% | 0.391 | S | S | . | . | trans | -80.5 | -15.1 | -179.1 | -59.4 | -177.9 | 0 | 0 | 0 | 112.9 | D2694 N2698 H2701 L2714 T2715 | D2694-L2696 HydrophobicContact CB-CD2 4.5Å; D2694-L2696 PolarHBondContact O-N 3.02Å; L2696-N2698 PolarHBondContact O-N 3.07Å; L2696-H2701 PolarHBondContact O-CE1 3.47Å; L2696-H2701 PolarHBondContact O-ND1 3.2Å; L2696-L2714 HydrophobicContact CB-CB 4.23Å; L2696-L2714 HydrophobicContact CB-CD1 4.17Å; L2696-L2714 HydrophobicContact CD1-CB 4.29Å; L2696-L2714 WeakPolarHBondContact CD1-O 3.39Å; L2696-T2715 HydrophobicContact CD1-CG2 3.68Å; L2696-T2715 HydrophobicContact CG-CG2 4.23Å | ||
| 2697 | L | 82.1 | Confident | 79.7 | Confident | 0.75 Ų | 0.75 | 79.1 Ų | 79.1 | 0% | 0.004 | 40% | 0.402 | C | S | . | . | trans | -56.4 | 140.8 | 174.1 | -69.1 | 168.1 | 0 | 0 | 0 | 111.3 | M2680 L2683 K2684 L2687 I2695 H2701 L2714 Q2733 W2735 V2737 | M2680-L2697 VanDerWaalsContact CE-C 3.41Å; M2680-L2697 HydrophobicContact CE-CB 3.8Å; M2680-L2697 VanDerWaalsContact CE-O 3.31Å; M2680-L2697 WeakPolarHBondContact CE-O 3.32Å; M2680-L2697 HydrophobicContact SD-CB 4.42Å; L2683-L2697 HydrophobicContact CD2-CB 4.22Å; L2683-L2697 HydrophobicContact CD2-CD1 3.97Å; K2684-L2697 WeakPolarHBondContact CE-O 3.37Å; K2684-L2697 PolarHBondContact NZ-O 3.18Å; L2687-L2697 HydrophobicContact CD1-CD1 3.95Å; I2695-L2697 VanDerWaalsContact C-N 3.31Å; I2695-L2697 HydrophobicContact CG2-CB 4.05Å; I2695-L2697 HydrophobicContact CG2-CD1 4.46Å; I2695-L2697 HydrophobicContact CG2-CG 4.47Å; L2697-H2701 WeakPolarHBondContact CA-ND1 3.27Å; L2697-H2701 HydrophobicContact CD2-CB 3.87Å; L2697-L2714 HydrophobicContact CD2-CD1 3.58Å; L2697-L2714 HydrophobicContact CG-CD1 4.11Å; L2697-Q2733 HydrophobicContact CD1-CB 4.37Å; L2697-Q2733 HydrophobicContact CD1-CG 4.35Å; L2697-Q2733 HydrophobicContact CG-CB 4.36Å; L2697-W2735 HydrophobicContact CD2-CB 4.24Å; L2697-V2737 HydrophobicContact CD1-CG2 4.01Å; L2697-V2737 HydrophobicContact CD2-CG2 3.4Å; L2697-V2737 VanDerWaalsContact CD2-CG2 3.44Å; L2697-V2737 HydrophobicContact CG-CG2 4.28Å | ||
| 2698 | N | 82.2 | Confident | 80 | Confident | 57.25 Ų | 57.25 | 86.9 Ų | 86.9 | 31% | 0.306 | 44% | 0.44 | S | S | . | . | trans | -150 | 176.4 | -177.4 | 71.6 | 31.9 | 0 | 0 | 0 | 109.4 | M2680 L2696 Q2700 H2701 | M2680-N2698 WeakPolarHBondContact CE-O 3.39Å; M2680-N2698 VanDerWaalsContact CG-C 3.42Å; M2680-N2698 VanDerWaalsContact SD-C 3.53Å; L2696-N2698 PolarHBondContact O-N 3.07Å; N2698-Q2700 PolarHBondContact O-N 3.14Å; N2698-Q2700 VanDerWaalsContact O-N 3.11Å; N2698-Q2700 WeakPolarHBondContact OD1-CA 3.42Å; N2698-Q2700 VanDerWaalsContact OD1-CB 3.27Å; N2698-Q2700 WeakPolarHBondContact OD1-CB 3.4Å; N2698-Q2700 PolarHBondContact OD1-N 3.13Å; N2698-H2701 VanDerWaalsContact CG-CE1 3.46Å; N2698-H2701 VanDerWaalsContact CG-ND1 3.34Å; N2698-H2701 PolarHBondContact N-ND1 2.96Å; N2698-H2701 VanDerWaalsContact N-ND1 3.12Å; N2698-H2701 PolarHBondContact ND2-CE1 3.21Å; N2698-H2701 PolarHBondContact ND2-ND1 3.46Å; N2698-H2701 WeakPolarHBondContact O-CB 3.37Å; N2698-H2701 PolarHBondContact O-N 3.17Å; N2698-H2701 PolarHBondContact OD1-CE1 2.97Å; N2698-H2701 PolarHBondContact OD1-N 2.94Å; N2698-H2701 PolarHBondContact OD1-ND1 2.82Å; N2698-H2701 VanDerWaalsContact OD1-ND1 3.12Å | ||
| 2699 | D | 78.5 | Confident | 80.6 | Confident | 106.75 Ų | 106.75 | 84.5 Ų | 84.5 | 57% | 0.571 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -61.6 | -24.2 | -173.9 | -60 | -46.4 | 0 | 0 | 0 | 113.7 | M2680 H2701 | M2680-D2699 VanDerWaalsContact CB-OD1 3.27Å; M2680-D2699 WeakPolarHBondContact CB-OD1 3.11Å; M2680-D2699 HydrophobicContact CG-CB 4.39Å; M2680-D2699 WeakPolarHBondContact CG-OD1 3.33Å; D2699-H2701 VanDerWaalsContact C-N 3.29Å; D2699-H2701 PolarHBondContact O-N 2.8Å |
| 2700 | Q | 83.2 | Confident | 81.4 | Confident | 146.75 Ų | 146.75 | 84.1 Ų | 84.1 | 69% | 0.686 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -75.3 | -22.3 | 178.5 | -54.8 | -178.5 | -3 | 0 | 0 | 112.2 | N2698 L2702 Q2704 | N2698-Q2700 PolarHBondContact O-N 3.14Å; N2698-Q2700 VanDerWaalsContact O-N 3.11Å; N2698-Q2700 WeakPolarHBondContact OD1-CA 3.42Å; N2698-Q2700 VanDerWaalsContact OD1-CB 3.27Å; N2698-Q2700 WeakPolarHBondContact OD1-CB 3.4Å; N2698-Q2700 PolarHBondContact OD1-N 3.13Å; Q2700-L2702 VanDerWaalsContact C-N 3.33Å; Q2700-Q2704 PolarHBondContact O-NE2 2.83Å |
| 2701 | H | 87.5 | Confident | 82.5 | Confident | 27.5 Ų | 27.5 | 80.4 Ų | 80.4 | 13% | 0.127 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -84.5 | -4.2 | 179.5 | -58.5 | 136.9 | 0 | 0 | 0 | 113.4 | L2696 L2697 N2698 D2699 W2735 P2736 V2737 | L2696-H2701 PolarHBondContact O-CE1 3.47Å; L2696-H2701 PolarHBondContact O-ND1 3.2Å; L2697-H2701 WeakPolarHBondContact CA-ND1 3.27Å; L2697-H2701 HydrophobicContact CD2-CB 3.87Å; N2698-H2701 VanDerWaalsContact CG-CE1 3.46Å; N2698-H2701 VanDerWaalsContact CG-ND1 3.34Å; N2698-H2701 PolarHBondContact N-ND1 2.96Å; N2698-H2701 VanDerWaalsContact N-ND1 3.12Å; N2698-H2701 PolarHBondContact ND2-CE1 3.21Å; N2698-H2701 PolarHBondContact ND2-ND1 3.46Å; N2698-H2701 WeakPolarHBondContact O-CB 3.37Å; N2698-H2701 PolarHBondContact O-N 3.17Å; N2698-H2701 PolarHBondContact OD1-CE1 2.97Å; N2698-H2701 PolarHBondContact OD1-N 2.94Å; N2698-H2701 PolarHBondContact OD1-ND1 2.82Å; N2698-H2701 VanDerWaalsContact OD1-ND1 3.12Å; D2699-H2701 VanDerWaalsContact C-N 3.29Å; D2699-H2701 PolarHBondContact O-N 2.8Å; H2701-W2735 HydrophobicContact CB-CB 3.85Å; H2701-W2735 HydrophobicContact CB-CD2 4.45Å; H2701-W2735 HydrophobicContact CB-CE3 4.44Å; H2701-W2735 HydrophobicContact CB-CG 4.23Å; H2701-W2735 AromaticContact CD2-CD2 3.78Å; H2701-W2735 AromaticContact CD2-CE2 3.99Å; H2701-W2735 AromaticContact CD2-CG 3.9Å; H2701-P2736 CarbonylContact O-C 3.48Å; H2701-P2736 VanDerWaalsContact O-CA 3.3Å; H2701-P2736 WeakPolarHBondContact O-CA 3.33Å; H2701-V2737 PolarHBondContact O-N 3.06Å |
| 2702 | L | 81.9 | Confident | 83.2 | Confident | 41.5 Ų | 41.5 | 83.9 Ų | 83.9 | 22% | 0.217 | 42% | 0.419 | C | S | . | . | B | Isolated β-bridge | trans | -69.1 | 143.7 | 172.9 | -68.5 | 166.2 | 0 | 0 | 0 | 110.8 | M2680 Q2700 Q2704 Q2709 V2737 | M2680-L2702 HydrophobicContact CE-CD1 3.8Å; M2680-L2702 HydrophobicContact CE-CD2 4.06Å; M2680-L2702 HydrophobicContact CE-CG 3.77Å; Q2700-L2702 VanDerWaalsContact C-N 3.33Å; L2702-Q2704 PolarHBondContact O-N 3.09Å; L2702-Q2704 PolarHBondContact O-NE2 3.3Å; L2702-Q2709 PolarHBondContact O-NE2 2.93Å; L2702-V2737 HydrophobicContact CD2-CB 4.4Å; L2702-V2737 HydrophobicContact CD2-CG1 4.42Å |
| 2703 | Y | 82.5 | Confident | 83.8 | Confident | 52.5 Ų | 52.5 | 75.2 Ų | 75.2 | 21% | 0.206 | 38% | 0.381 | C | S | . | . | trans | -59.2 | 129.3 | 172.9 | 178.1 | -106.8 | 0 | 0 | 0 | 110.8 | E2705 P2736 V2737 D2739 P2740 | Y2703-E2705 HydrophobicContact CE1-CB 4.29Å; Y2703-P2736 HydrophobicContact CD2-CB 4.27Å; Y2703-P2736 HydrophobicContact CD2-CG 4.3Å; Y2703-V2737 VanDerWaalsContact CB-O 3.29Å; Y2703-V2737 WeakPolarHBondContact CB-O 3.36Å; Y2703-V2737 PolarHBondContact N-O 2.92Å; Y2703-D2739 HydrophobicContact CD2-CB 3.53Å; Y2703-D2739 VanDerWaalsContact CD2-CB 3.48Å; Y2703-D2739 HydrophobicContact CE2-CB 4.09Å; Y2703-D2739 HydrophobicContact CG-CB 3.97Å; Y2703-P2740 HydrophobicContact CE1-CG 4.3Å | ||
| 2704 | Q | 81 | Confident | 84.1 | Confident | 64.75 Ų | 64.75 | 74.7 Ų | 74.7 | 30% | 0.303 | 38% | 0.379 | S | S | . | . | trans | -118.5 | 109.1 | 179.6 | -69.7 | 171 | 33.3 | 0 | 0 | 108.8 | Q2700 L2702 G2706 K2707 | Q2700-Q2704 PolarHBondContact O-NE2 2.83Å; L2702-Q2704 PolarHBondContact O-N 3.09Å; L2702-Q2704 PolarHBondContact O-NE2 3.3Å; Q2704-G2706 PolarHBondContact O-N 2.89Å; Q2704-K2707 HydrophobicContact CB-CB 4.29Å; Q2704-K2707 HydrophobicContact CB-CD 4Å; Q2704-K2707 HydrophobicContact CB-CG 4.15Å; Q2704-K2707 WeakPolarHBondContact O-CB 3.35Å; Q2704-K2707 PolarHBondContact O-N 2.82Å; Q2704-K2707 VanDerWaalsContact OE1-CD 3.25Å | ||
| 2705 | E | 73.8 | Confident | 84.2 | Confident | 180 Ų | 180 | 68.5 Ų | 68.5 | 84% | 0.841 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 129.6 | -178.2 | -162.4 | 168.9 | -161.8 | 0 | 0 | 110.9 | Y2703 K2707 | Y2703-E2705 HydrophobicContact CE1-CB 4.29Å; E2705-K2707 VanDerWaalsContact C-N 3.31Å; E2705-K2707 PolarHBondContact O-N 2.75Å |
| 2706 | G | 76 | Confident | 84.3 | Confident | 69.75 Ų | 69.75 | 72.3 Ų | 72.3 | 72% | 0.719 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.4 | -9.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q2704 | Q2704-G2706 PolarHBondContact O-N 2.89Š|
| 2707 | K | 80.4 | Confident | 84.3 | Confident | 116 Ų | 116 | 68.7 Ų | 68.7 | 50% | 0.504 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -92.4 | 132.9 | 170.6 | -65.7 | -166.1 | -179.4 | 174 | 0 | 111.1 | Q2704 E2705 Q2709 | Q2704-K2707 HydrophobicContact CB-CB 4.29Å; Q2704-K2707 HydrophobicContact CB-CD 4Å; Q2704-K2707 HydrophobicContact CB-CG 4.15Å; Q2704-K2707 WeakPolarHBondContact O-CB 3.35Å; Q2704-K2707 PolarHBondContact O-N 2.82Å; Q2704-K2707 VanDerWaalsContact OE1-CD 3.25Å; E2705-K2707 VanDerWaalsContact C-N 3.31Å; E2705-K2707 PolarHBondContact O-N 2.75Å; K2707-Q2709 HydrophobicContact CB-CG 4.02Å; K2707-Q2709 PolarHBondContact O-N 2.91Å; K2707-Q2709 VanDerWaalsContact O-N 3.12Å |
| 2708 | M | 83.8 | Confident | 84.3 | Confident | 163.75 Ų | 163.75 | 71.1 Ų | 71.1 | 81% | 0.807 | 38% | 0.379 | S | S | * | . | trans | -76.8 | 78.7 | 175.7 | -62.4 | -176.5 | 174.6 | 0 | 0 | 110.5 | K2710 Y2791 | M2708-K2710 PolarHBondContact O-N 2.88Å; M2708-Y2791 HydrophobicContact CB-CD1 3.86Å; M2708-Y2791 HydrophobicContact CB-CE1 4.03Å; M2708-Y2791 HydrophobicContact CB-CG 4.28Å; M2708-Y2791 HydrophobicContact CG-CD1 3.91Å; M2708-Y2791 HydrophobicContact CG-CE1 3.68Å | ||
| 2709 | Q | 88.6 | Confident | 84.5 | Confident | 20.5 Ų | 20.5 | 71.2 Ų | 71.2 | 10% | 0.096 | 39% | 0.393 | C | S | . | . | trans | -98.1 | 110.7 | -179.1 | -65.6 | 170.6 | -53.4 | 0 | 0 | 109.3 | L2702 K2707 W2735 P2736 N2789 Y2791 | L2702-Q2709 PolarHBondContact O-NE2 2.93Å; K2707-Q2709 HydrophobicContact CB-CG 4.02Å; K2707-Q2709 PolarHBondContact O-N 2.91Å; K2707-Q2709 VanDerWaalsContact O-N 3.12Å; Q2709-W2735 HydrophobicContact CG-CZ3 4.46Å; Q2709-P2736 HydrophobicContact CB-CB 4.25Å; Q2709-P2736 HydrophobicContact CB-CG 3.84Å; Q2709-N2789 PolarHBondContact O-ND2 2.88Å; Q2709-Y2791 WeakPolarHBondContact O-CD2 3.35Å | ||
| 2710 | K | 90.5 | Very high | 84.9 | Confident | 108.25 Ų | 108.25 | 67.7 Ų | 67.7 | 47% | 0.471 | 38% | 0.375 | S | S | . | . | trans | -75 | 159.7 | 171.9 | 67.8 | 169.6 | -175.5 | 171.4 | 0 | 110.8 | M2708 E2712 P2736 | M2708-K2710 PolarHBondContact O-N 2.88Å; K2710-E2712 WeakPolarHBondContact CE-OE2 3.45Å; K2710-E2712 IonicContact NZ-OE2 2.68Å; K2710-E2712 PolarHBondContact NZ-OE2 2.9Å; K2710-P2736 WeakPolarHBondContact O-CD 3.41Å | ||
| 2711 | P | 92.4 | Very high | 85.2 | Confident | 1.25 Ų | 1.25 | 65.9 Ų | 65.9 | 1% | 0.008 | 38% | 0.375 | C | S | . | . | trans | -66 | 142.9 | 175 | -3.5 | 15.4 | 0 | 0 | 0 | 110.5 | L2734 W2735 M2742 A2787 N2789 G2792 S2794 | P2711-L2734 HydrophobicContact CB-CD1 4.04Å; P2711-W2735 CarbonylContact C-O 3.56Å; P2711-W2735 VanDerWaalsContact CA-O 3.3Å; P2711-W2735 WeakPolarHBondContact CA-O 3.38Å; P2711-M2742 HydrophobicContact CB-CE 3.86Å; P2711-M2742 HydrophobicContact CB-SD 3.81Å; P2711-M2742 HydrophobicContact CG-CE 4.02Å; P2711-M2742 HydrophobicContact CG-SD 3.86Å; P2711-A2787 HydrophobicContact CB-CB 3.93Å; P2711-A2787 WeakPolarHBondContact CG-O 3.44Å; P2711-N2789 VanDerWaalsContact CD-CG 3.41Å; P2711-N2789 VanDerWaalsContact CD-OD1 3.28Å; P2711-N2789 WeakPolarHBondContact CD-OD1 3.41Å; P2711-N2789 HydrophobicContact CG-CB 4.02Å; P2711-G2792 VanDerWaalsContact CD-O 3.3Å; P2711-G2792 WeakPolarHBondContact CD-O 3.3Å; P2711-G2792 WeakPolarHBondContact CG-O 3.37Å; P2711-S2794 VanDerWaalsContact O-CB 3.29Å; P2711-S2794 WeakPolarHBondContact O-CB 3.25Å | ||
| 2712 | E | 91.6 | Very high | 85.2 | Confident | 85.75 Ų | 85.75 | 65.5 Ų | 65.5 | 40% | 0.401 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 138.1 | 175 | -178.9 | 168.3 | -175.6 | 0 | 0 | 110.9 | K2710 L2734 W2735 | K2710-E2712 WeakPolarHBondContact CE-OE2 3.45Å; K2710-E2712 IonicContact NZ-OE2 2.68Å; K2710-E2712 PolarHBondContact NZ-OE2 2.9Å; E2712-L2734 WeakPolarHBondContact O-CA 3.17Å; E2712-W2735 HydrophobicContact CB-CZ2 4.33Å; E2712-W2735 VanDerWaalsContact CB-NE1 3.32Å; E2712-W2735 HydrophobicContact CG-CZ2 4.44Å; E2712-W2735 PolarHBondContact N-O 3.18Å; E2712-W2735 PolarHBondContact O-N 3.03Å; E2712-W2735 WeakPolarHBondContact OE2-CZ2 3.41Å; E2712-W2735 PolarHBondContact OE2-NE1 2.72Å |
| 2713 | F | 91.9 | Very high | 85.2 | Confident | 25.5 Ų | 25.5 | 67.5 Ų | 67.5 | 11% | 0.112 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 126.1 | 179.1 | -66.2 | -77.6 | 0 | 0 | 0 | 110.1 | C2732 Q2733 L2734 C2785 A2787 S2794 L2796 | F2713-C2732 HydrophobicContact CD1-CB 4.23Å; F2713-C2732 WeakPolarHBondContact CD1-SG 3.44Å; F2713-C2732 VanDerWaalsContact CE1-SG 3.59Å; F2713-C2732 WeakPolarHBondContact CE1-SG 3.26Å; F2713-Q2733 CarbonylContact C-O 3.44Å; F2713-Q2733 VanDerWaalsContact CA-O 3.29Å; F2713-Q2733 WeakPolarHBondContact CA-O 3.28Å; F2713-L2734 HydrophobicContact CD1-CB 4.12Å; F2713-L2734 HydrophobicContact CD1-CD1 3.95Å; F2713-L2734 HydrophobicContact CE1-CB 4.17Å; F2713-L2734 HydrophobicContact CE1-CD1 3.86Å; F2713-L2734 HydrophobicContact CE1-CD2 4.47Å; F2713-L2734 HydrophobicContact CE1-CG 4.39Å; F2713-L2734 HydrophobicContact CG-CD1 4.37Å; F2713-L2734 HydrophobicContact CZ-CD1 4.2Å; F2713-C2785 HydrophobicContact CZ-CB 4.37Å; F2713-C2785 VanDerWaalsContact CZ-SG 3.58Å; F2713-A2787 HydrophobicContact CE1-CB 4.45Å; F2713-A2787 HydrophobicContact CE2-CB 4.21Å; F2713-A2787 HydrophobicContact CZ-CB 3.76Å; F2713-S2794 WeakPolarHBondContact CD2-OG 3.38Å; F2713-S2794 WeakPolarHBondContact CE2-OG 3.42Å; F2713-L2796 HydrophobicContact CB-CD1 4Å; F2713-L2796 VanDerWaalsContact CB-CD1 3.44Å; F2713-L2796 HydrophobicContact CB-CD2 4.17Å; F2713-L2796 HydrophobicContact CB-CG 3.84Å; F2713-L2796 HydrophobicContact CD1-CD1 3.52Å; F2713-L2796 HydrophobicContact CD1-CD2 4.15Å; F2713-L2796 HydrophobicContact CD1-CG 4.23Å; F2713-L2796 HydrophobicContact CD2-CB 3.86Å; F2713-L2796 HydrophobicContact CD2-CD1 4.09Å; F2713-L2796 HydrophobicContact CD2-CD2 4.42Å; F2713-L2796 HydrophobicContact CD2-CG 3.48Å; F2713-L2796 VanDerWaalsContact CD2-CG 3.48Å; F2713-L2796 HydrophobicContact CE1-CD1 4.11Å; F2713-L2796 HydrophobicContact CE2-CB 3.93Å; F2713-L2796 HydrophobicContact CE2-CD1 4.3Å; F2713-L2796 HydrophobicContact CE2-CG 4Å; F2713-L2796 HydrophobicContact CG-CB 4.18Å; F2713-L2796 HydrophobicContact CG-CD1 3.88Å; F2713-L2796 HydrophobicContact CG-CD2 4.02Å; F2713-L2796 HydrophobicContact CG-CG 3.62Å; F2713-L2796 HydrophobicContact CZ-CB 4.33Å; F2713-L2796 HydrophobicContact CZ-CD1 4.47Å |
| 2714 | L | 88 | Confident | 84.9 | Confident | 45.25 Ų | 45.25 | 66 Ų | 66 | 24% | 0.237 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -83.6 | -28.5 | 179.4 | -67.1 | 174.8 | 0 | 0 | 0 | 113.1 | L2696 L2697 Q2733 W2735 | L2696-L2714 HydrophobicContact CB-CB 4.23Å; L2696-L2714 HydrophobicContact CB-CD1 4.17Å; L2696-L2714 HydrophobicContact CD1-CB 4.29Å; L2696-L2714 WeakPolarHBondContact CD1-O 3.39Å; L2697-L2714 HydrophobicContact CD2-CD1 3.58Å; L2697-L2714 HydrophobicContact CG-CD1 4.11Å; L2714-Q2733 HydrophobicContact CB-CB 4.35Å; L2714-Q2733 PolarHBondContact N-O 2.89Å; L2714-W2735 HydrophobicContact CG-CG 4.44Å |
| 2715 | T | 85.2 | Confident | 84.6 | Confident | 8 Ų | 8 | 64.4 Ų | 64.4 | 5% | 0.049 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -117 | 134.3 | -178.5 | 58 | 0 | 0 | 0 | 0 | 110.2 | M2693 L2696 C2732 Q2733 L2796 | M2693-T2715 HydrophobicContact CE-CG2 3.8Å; M2693-T2715 VanDerWaalsContact CE-OG1 3.27Å; M2693-T2715 WeakPolarHBondContact CE-OG1 3.38Å; M2693-T2715 HydrophobicContact CG-CG2 4.41Å; M2693-T2715 HydrophobicContact SD-CG2 3.76Å; L2696-T2715 HydrophobicContact CD1-CG2 3.68Å; L2696-T2715 HydrophobicContact CG-CG2 4.23Å; T2715-C2732 VanDerWaalsContact OG1-CA 3.25Å; T2715-C2732 WeakPolarHBondContact OG1-CA 3.2Å; T2715-Q2733 HydrophobicContact CG2-CB 4.23Å; T2715-Q2733 HydrophobicContact CG2-CG 4.35Å; T2715-Q2733 PolarHBondContact OG1-N 3.2Å; T2715-L2796 WeakPolarHBondContact O-CD1 3.42Å; T2715-L2796 WeakPolarHBondContact O-CD2 3.23Å |
| 2716 | P | 84.6 | Confident | 85 | Confident | 107.5 Ų | 107.5 | 58.7 Ų | 58.7 | 70% | 0.698 | 36% | 0.356 | S | S | * | . | trans | -66.5 | 153.7 | 173.2 | 30.3 | -34.5 | 0 | 0 | 0 | 110.7 | ||||
| 2717 | M | 85 | Confident | 85.4 | Confident | 14 Ų | 14 | 60.3 Ų | 60.3 | 7% | 0.069 | 35% | 0.348 | C | S | . | . | trans | -93.1 | 117.3 | 170.7 | -168.3 | -175.4 | -57.9 | 0 | 0 | 107.7 | F2730 W2746 C2785 L2796 A2798 | M2717-F2730 HydrophobicContact CE-CB 4.46Å; M2717-F2730 HydrophobicContact CG-CB 4.06Å; M2717-F2730 HydrophobicContact CG-CD1 3.71Å; M2717-F2730 HydrophobicContact CG-CE1 4.49Å; M2717-F2730 HydrophobicContact CG-CG 4.28Å; M2717-F2730 HydrophobicContact SD-CB 3.75Å; M2717-F2730 HydrophobicContact SD-CD1 3.7Å; M2717-F2730 HydrophobicContact SD-CE1 4.5Å; M2717-F2730 HydrophobicContact SD-CG 3.87Å; M2717-W2746 HydrophobicContact CE-CE3 4.5Å; M2717-W2746 HydrophobicContact CE-CH2 3.25Å; M2717-W2746 HydrophobicContact CE-CZ2 4.16Å; M2717-W2746 HydrophobicContact CE-CZ3 3.5Å; M2717-W2746 VanDerWaalsContact CE-CZ3 3.44Å; M2717-W2746 HydrophobicContact SD-CH2 3.85Å; M2717-W2746 HydrophobicContact SD-CZ3 3.7Å; M2717-W2746 VanDerWaalsContact SD-CZ3 3.58Å; M2717-C2785 HydrophobicContact CE-CB 3.55Å; M2717-C2785 VanDerWaalsContact CE-CB 3.49Å; M2717-L2796 HydrophobicContact CB-CB 4.41Å; M2717-L2796 HydrophobicContact CB-CD1 4.35Å; M2717-L2796 HydrophobicContact CB-CD2 3.57Å; M2717-L2796 VanDerWaalsContact CB-CD2 3.44Å; M2717-L2796 HydrophobicContact CB-CG 3.76Å; M2717-L2796 HydrophobicContact CE-CB 4.25Å; M2717-L2796 HydrophobicContact CE-CD2 3.95Å; M2717-L2796 HydrophobicContact CE-CG 4.21Å; M2717-A2798 HydrophobicContact CB-CB 3.91Å; M2717-A2798 HydrophobicContact CG-CB 3.48Å; M2717-A2798 VanDerWaalsContact CG-CB 3.46Å; M2717-A2798 WeakPolarHBondContact O-CB 3.22Å; M2717-A2798 HydrophobicContact SD-CB 3.62Å; M2717-A2798 VanDerWaalsContact SD-CB 3.57Å | ||
| 2718 | G | 81.1 | Confident | 85.8 | Confident | 51.25 Ų | 51.25 | 54.8 Ų | 54.8 | 53% | 0.528 | 32% | 0.324 | S | S | . | . | trans | -77.5 | 145.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A2798 | G2718-A2798 WeakPolarHBondContact O-CB 3.42Š| ||
| 2719 | G | 86.5 | Confident | 86 | Confident | 58.5 Ų | 58.5 | 50.5 Ų | 50.5 | 60% | 0.603 | 30% | 0.299 | S | S | * | . | trans | -63.8 | 145.1 | 166 | 0 | 0 | 0 | 0 | 0 | 110.9 | D2799 | G2719-D2799 CarbonylContact C-O 3.53Å; G2719-D2799 WeakPolarHBondContact CA-O 3.35Å | ||
| 2720 | V | 88.4 | Confident | 86.2 | Confident | 32.5 Ų | 32.5 | 49.6 Ų | 49.6 | 20% | 0.197 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 133.2 | -175 | 178.6 | 0 | 0 | 0 | 0 | 109.3 | V2722 C2728 F2730 D2799 L2800 V2801 | V2720-V2722 HydrophobicContact CG1-CG1 3.81Å; V2720-C2728 HydrophobicContact CG1-CB 4.36Å; V2720-F2730 HydrophobicContact CB-CE1 4.19Å; V2720-F2730 HydrophobicContact CB-CZ 4.42Å; V2720-F2730 HydrophobicContact CG2-CD1 4.08Å; V2720-F2730 HydrophobicContact CG2-CE1 3.74Å; V2720-F2730 HydrophobicContact CG2-CZ 4.37Å; V2720-D2799 PolarHBondContact N-O 3.42Å; V2720-L2800 HydrophobicContact CB-CD1 4.05Å; V2720-L2800 HydrophobicContact CG1-CD1 4.12Å; V2720-L2800 CarbonylContact O-C 3.5Å; V2720-L2800 WeakPolarHBondContact O-CA 3.39Å; V2720-L2800 WeakPolarHBondContact O-CD1 3.37Å; V2720-V2801 PolarHBondContact O-N 3.14Å |
| 2721 | T | 89.6 | Confident | 86.2 | Confident | 110.25 Ų | 110.25 | 46.7 Ų | 46.7 | 68% | 0.676 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 124.4 | 171.7 | -52.8 | 0 | 0 | 0 | 0 | 108.8 | V2801 | T2721-V2801 VanDerWaalsContact CA-O 3.29Å; T2721-V2801 WeakPolarHBondContact CA-O 3.28Å; T2721-V2801 HydrophobicContact CG2-CB 4.21Å; T2721-V2801 HydrophobicContact CG2-CG1 4.32Å |
| 2722 | V | 87.3 | Confident | 86.2 | Confident | 18.5 Ų | 18.5 | 46.7 Ų | 46.7 | 11% | 0.112 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 154.1 | -175.6 | -76 | 0 | 0 | 0 | 0 | 109.9 | V2720 D2726 C2728 A2775 L2800 V2801 C2802 A2803 | V2720-V2722 HydrophobicContact CG1-CG1 3.81Å; V2722-D2726 HydrophobicContact CB-CB 4.14Å; V2722-D2726 HydrophobicContact CG1-CB 4.38Å; V2722-C2728 HydrophobicContact CG1-CB 4.28Å; V2722-C2728 HydrophobicContact CG2-CB 4.33Å; V2722-A2775 HydrophobicContact CG2-CB 3.54Å; V2722-A2775 VanDerWaalsContact CG2-CB 3.47Å; V2722-L2800 HydrophobicContact CG2-CD1 3.73Å; V2722-V2801 PolarHBondContact N-O 3.33Å; V2722-C2802 HydrophobicContact CG2-CB 4.22Å; V2722-C2802 CarbonylContact O-C 3.55Å; V2722-C2802 VanDerWaalsContact O-CA 3.25Å; V2722-C2802 WeakPolarHBondContact O-CA 3.33Å; V2722-A2803 PolarHBondContact O-N 3.29Å |
| 2723 | D | 81.4 | Confident | 86.1 | Confident | 84.25 Ų | 84.25 | 42.6 Ų | 42.6 | 45% | 0.451 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 155.6 | 166.5 | -70.7 | -41.5 | 0 | 0 | 0 | 109.7 | G2725 D2726 A2803 R2805 | D2723-G2725 PolarHBondContact O-N 3.25Å; D2723-D2726 PolarHBondContact N-OD2 3.2Å; D2723-D2726 VanDerWaalsContact O-CB 3.29Å; D2723-D2726 WeakPolarHBondContact O-CB 3.29Å; D2723-D2726 PolarHBondContact O-N 2.97Å; D2723-D2726 VanDerWaalsContact O-N 3.09Å; D2723-A2803 CarbonylContact C-O 3.56Å; D2723-A2803 WeakPolarHBondContact CA-O 3.42Å; D2723-R2805 HydrophobicContact CB-CG 4.22Å |
| 2724 | E | 77 | Confident | 86.1 | Confident | 19.75 Ų | 19.75 | 41.6 Ų | 41.6 | 9% | 0.092 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 130 | 176.9 | 175.3 | 173.3 | -156.5 | 0 | 0 | 112 | D2726 A2775 L2776 P2777 C2802 A2803 P2804 R2805 T2855 V2876 | E2724-D2726 VanDerWaalsContact C-N 3.34Å; E2724-A2775 CarbonylContact C-O 3.43Å; E2724-A2775 WeakPolarHBondContact CA-O 3.28Å; E2724-L2776 HydrophobicContact CG-CD2 4.29Å; E2724-L2776 WeakPolarHBondContact OE1-CD2 3.37Å; E2724-P2777 HydrophobicContact CB-CG 4.45Å; E2724-P2777 HydrophobicContact CG-CG 4.45Å; E2724-P2777 VanDerWaalsContact OE1-CD 3.26Å; E2724-P2777 WeakPolarHBondContact OE1-CD 3.43Å; E2724-C2802 VanDerWaalsContact CA-SG 3.57Å; E2724-A2803 WeakPolarHBondContact CB-O 3.46Å; E2724-A2803 PolarHBondContact N-O 2.9Å; E2724-P2804 WeakPolarHBondContact OE2-CA 3.47Å; E2724-R2805 HydrophobicContact CB-CG 4.24Å; E2724-R2805 VanDerWaalsContact O-CD 3.29Å; E2724-R2805 WeakPolarHBondContact O-CD 3.38Å; E2724-R2805 WeakPolarHBondContact O-CG 3.3Å; E2724-R2805 PolarHBondContact O-NE 3.2Å; E2724-R2805 PolarHBondContact O-NH2 3.45Å; E2724-R2805 PolarHBondContact OE2-N 2.88Å; E2724-R2805 VanDerWaalsContact OE2-N 3.07Å; E2724-T2855 VanDerWaalsContact CD-OG1 3.31Å; E2724-T2855 HydrophobicContact CG-CG2 4.16Å; E2724-T2855 WeakPolarHBondContact OE1-CB 3.22Å; E2724-T2855 WeakPolarHBondContact OE1-CG2 3.27Å; E2724-T2855 PolarHBondContact OE1-OG1 2.96Å; E2724-T2855 WeakPolarHBondContact OE2-CB 3.46Å; E2724-T2855 WeakPolarHBondContact OE2-CG2 3.16Å; E2724-V2876 WeakPolarHBondContact OE1-CG2 3.44Å |
| 2725 | G | 73.4 | Confident | 86.2 | Confident | 32.25 Ų | 32.25 | 41.8 Ų | 41.8 | 33% | 0.332 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | -10.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D2723 Y2774 A2775 | D2723-G2725 PolarHBondContact O-N 3.25Å; G2725-Y2774 VanDerWaalsContact O-CB 3.24Å; G2725-Y2774 WeakPolarHBondContact O-CB 3.33Å; G2725-A2775 PolarHBondContact N-O 3.11Å |
| 2726 | D | 82.3 | Confident | 86.4 | Confident | 60 Ų | 60 | 41.6 Ų | 41.6 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | trans | -81.9 | 150.8 | -178.4 | -67.9 | -7.7 | 0 | 0 | 0 | 112.2 | V2722 D2723 E2724 C2728 Y2774 A2775 R2805 | V2722-D2726 HydrophobicContact CB-CB 4.14Å; V2722-D2726 HydrophobicContact CG1-CB 4.38Å; D2723-D2726 PolarHBondContact N-OD2 3.2Å; D2723-D2726 VanDerWaalsContact O-CB 3.29Å; D2723-D2726 WeakPolarHBondContact O-CB 3.29Å; D2723-D2726 PolarHBondContact O-N 2.97Å; D2723-D2726 VanDerWaalsContact O-N 3.09Å; E2724-D2726 VanDerWaalsContact C-N 3.34Å; D2726-C2728 PolarHBondContact O-N 2.82Å; D2726-Y2774 CarbonylContact O-C 3.53Å; D2726-Y2774 VanDerWaalsContact O-CA 3.3Å; D2726-Y2774 WeakPolarHBondContact O-CA 3.34Å; D2726-A2775 PolarHBondContact O-N 2.95Å; D2726-R2805 IonicContact OD1-CZ 3.69Å; D2726-R2805 IonicContact OD1-NH2 3.27Å; D2726-R2805 PolarHBondContact OD1-NH2 3.09Å; D2726-R2805 VanDerWaalsContact OD1-NH2 3.16Å | ||
| 2727 | L | 85.4 | Confident | 86.4 | Confident | 102.25 Ų | 102.25 | 36.6 Ų | 36.6 | 54% | 0.535 | 22% | 0.223 | S | C | . | . | trans | -71.5 | 126.5 | 176.3 | -178.7 | 145.8 | 0 | 0 | 0 | 110.3 | R2729 V2771 L2772 L2773 | L2727-R2729 HydrophobicContact CD2-CB 4.4Å; L2727-V2771 HydrophobicContact CD1-CG1 4.19Å; L2727-V2771 HydrophobicContact CD2-CG1 4.29Å; L2727-V2771 HydrophobicContact CG-CG1 4.23Å; L2727-L2772 CarbonylContact C-O 3.59Å; L2727-L2772 WeakPolarHBondContact CA-O 3.35Å; L2727-L2773 HydrophobicContact CD1-CD2 4.38Å | ||
| 2728 | C | 87.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141.5 | 174.3 | 169.8 | 0 | 0 | 0 | 0 | 110.2 | V2720 V2722 D2726 V2771 L2772 A2775 L2800 | V2720-C2728 HydrophobicContact CG1-CB 4.36Å; V2722-C2728 HydrophobicContact CG1-CB 4.28Å; V2722-C2728 HydrophobicContact CG2-CB 4.33Å; D2726-C2728 PolarHBondContact O-N 2.82Å; C2728-V2771 CarbonylContact O-C 3.56Å; C2728-V2771 WeakPolarHBondContact O-CA 3.22Å; C2728-L2772 HydrophobicContact CB-CB 4.09Å; C2728-L2772 HydrophobicContact CB-CD2 4.46Å; C2728-L2772 PolarHBondContact N-O 3.07Å; C2728-L2772 PolarHBondContact O-N 3.14Å; C2728-L2772 VanDerWaalsContact O-O 3.11Å; C2728-A2775 HydrophobicContact CB-CB 4.38Å; C2728-L2800 HydrophobicContact CB-CD1 4.18Å; C2728-L2800 HydrophobicContact CB-CD2 4.5Å; C2728-L2800 VanDerWaalsContact SG-CD1 3.53Å; C2728-L2800 WeakPolarHBondContact SG-CD1 3.25Å |
| 2729 | R | 89.6 | Confident | 86.2 | Confident | 73.75 Ų | 73.75 | 37.2 Ų | 37.2 | 28% | 0.278 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 122.8 | 178 | 178.2 | 177.2 | -164.4 | 153.6 | 2 | 110.4 | Y2690 L2727 E2731 Y2767 L2770 V2771 | Y2690-R2729 VanDerWaalsContact O-CZ 3.24Å; Y2690-R2729 PolarHBondContact O-NH1 3.02Å; Y2690-R2729 PolarHBondContact O-NH2 2.93Å; L2727-R2729 HydrophobicContact CD2-CB 4.4Å; R2729-E2731 HydrophobicContact CG-CB 4.37Å; R2729-E2731 IonicContact CZ-OE2 3.13Å; R2729-E2731 IonicContact NE-OE2 3.1Å; R2729-E2731 PolarHBondContact NE-OE2 2.89Å; R2729-Y2767 VanDerWaalsContact CZ-OH 3.28Å; R2729-Y2767 PolarHBondContact NE-OH 3.19Å; R2729-Y2767 VanDerWaalsContact NE-OH 3.1Å; R2729-Y2767 VanDerWaalsContact NH2-CE1 3.31Å; R2729-Y2767 PolarHBondContact NH2-OH 3.02Å; R2729-L2770 WeakPolarHBondContact CA-O 3.42Å; R2729-V2771 HydrophobicContact CG-CG2 4.07Å |
| 2730 | F | 92 | Very high | 85.7 | Confident | 2.25 Ų | 2.25 | 39.1 Ų | 39.1 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129.6 | 162.1 | -64.8 | -69.6 | 0 | 0 | 0 | 108.7 | M2717 V2720 W2746 A2769 L2770 L2772 Y2783 A2798 L2800 | M2717-F2730 HydrophobicContact CE-CB 4.46Å; M2717-F2730 HydrophobicContact CG-CB 4.06Å; M2717-F2730 HydrophobicContact CG-CD1 3.71Å; M2717-F2730 HydrophobicContact CG-CE1 4.49Å; M2717-F2730 HydrophobicContact CG-CG 4.28Å; M2717-F2730 HydrophobicContact SD-CB 3.75Å; M2717-F2730 HydrophobicContact SD-CD1 3.7Å; M2717-F2730 HydrophobicContact SD-CE1 4.5Å; M2717-F2730 HydrophobicContact SD-CG 3.87Å; V2720-F2730 HydrophobicContact CB-CE1 4.19Å; V2720-F2730 HydrophobicContact CB-CZ 4.42Å; V2720-F2730 HydrophobicContact CG2-CD1 4.08Å; V2720-F2730 HydrophobicContact CG2-CE1 3.74Å; V2720-F2730 HydrophobicContact CG2-CZ 4.37Å; F2730-W2746 HydrophobicContact CB-CH2 3.49Å; F2730-W2746 VanDerWaalsContact CB-CH2 3.43Å; F2730-W2746 HydrophobicContact CB-CZ3 3.71Å; F2730-W2746 HydrophobicContact CD2-CZ3 4.37Å; F2730-W2746 HydrophobicContact CG-CH2 4.44Å; F2730-W2746 HydrophobicContact CG-CZ3 4.22Å; F2730-A2769 CarbonylContact O-C 3.55Å; F2730-A2769 WeakPolarHBondContact O-CA 3.39Å; F2730-A2769 VanDerWaalsContact O-CB 3.28Å; F2730-A2769 WeakPolarHBondContact O-CB 3.42Å; F2730-L2770 HydrophobicContact CB-CB 4.48Å; F2730-L2770 PolarHBondContact N-O 3.06Å; F2730-L2770 PolarHBondContact O-N 2.82Å; F2730-L2772 HydrophobicContact CD2-CD1 4.26Å; F2730-L2772 HydrophobicContact CE2-CD1 4.27Å; F2730-Y2783 HydrophobicContact CD2-CD1 4.37Å; F2730-Y2783 HydrophobicContact CD2-CD2 4.39Å; F2730-Y2783 HydrophobicContact CD2-CG 4.11Å; F2730-Y2783 AromaticContact CE2-CD1 3.97Å; F2730-Y2783 HydrophobicContact CE2-CD1 4.14Å; F2730-Y2783 AromaticContact CE2-CD2 3.47Å; F2730-Y2783 HydrophobicContact CE2-CD2 3.47Å; F2730-Y2783 VanDerWaalsContact CE2-CD2 3.43Å; F2730-Y2783 HydrophobicContact CE2-CE1 4.41Å; F2730-Y2783 AromaticContact CE2-CE2 3.94Å; F2730-Y2783 HydrophobicContact CE2-CE2 3.99Å; F2730-Y2783 AromaticContact CE2-CG 3.57Å; F2730-Y2783 HydrophobicContact CE2-CG 3.57Å; F2730-Y2783 VanDerWaalsContact CE2-CG 3.44Å; F2730-Y2783 AromaticContact CZ-CD2 3.78Å; F2730-Y2783 HydrophobicContact CZ-CD2 3.78Å; F2730-Y2783 HydrophobicContact CZ-CE2 4.43Å; F2730-Y2783 AromaticContact CZ-CG 3.96Å; F2730-Y2783 HydrophobicContact CZ-CG 4.14Å; F2730-A2798 HydrophobicContact CD1-CB 4Å; F2730-A2798 HydrophobicContact CE1-CB 3.75Å; F2730-L2800 HydrophobicContact CE2-CB 4.33Å; F2730-L2800 HydrophobicContact CZ-CB 3.89Å; F2730-L2800 HydrophobicContact CZ-CD1 4.23Å |
| 2731 | E | 91.3 | Very high | 85.4 | Confident | 47.75 Ų | 47.75 | 39.8 Ų | 39.8 | 22% | 0.223 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 144.2 | 179.5 | 58.9 | -179.2 | 159.9 | 0 | 0 | 111.8 | T2691 M2693 R2729 Y2767 V2768 A2769 | T2691-E2731 WeakPolarHBondContact CB-OE2 3.38Å; T2691-E2731 VanDerWaalsContact OG1-CD 3.28Å; T2691-E2731 PolarHBondContact OG1-OE1 2.79Å; T2691-E2731 PolarHBondContact OG1-OE2 3.1Å; M2693-E2731 HydrophobicContact CE-CB 4.43Å; M2693-E2731 HydrophobicContact CE-CG 4.09Å; M2693-E2731 HydrophobicContact SD-CG 4.13Å; R2729-E2731 HydrophobicContact CG-CB 4.37Å; R2729-E2731 IonicContact CZ-OE2 3.13Å; R2729-E2731 IonicContact NE-OE2 3.1Å; R2729-E2731 PolarHBondContact NE-OE2 2.89Å; E2731-Y2767 HydrophobicContact CB-CE2 3.99Å; E2731-Y2767 VanDerWaalsContact CB-OH 3.28Å; E2731-Y2767 WeakPolarHBondContact CB-OH 3.08Å; E2731-Y2767 WeakPolarHBondContact OE2-CE2 3.28Å; E2731-Y2767 PolarHBondContact OE2-OH 3.06Å; E2731-V2768 CarbonylContact C-O 3.5Å; E2731-V2768 WeakPolarHBondContact CA-O 3.17Å; E2731-A2769 HydrophobicContact CB-CB 3.98Å |
| 2732 | C | 91.2 | Very high | 85.2 | Confident | 0.25 Ų | 0.25 | 36.3 Ų | 36.3 | 0% | 0.002 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 162.8 | 176.3 | 59.9 | 0 | 0 | 0 | 0 | 112.1 | F2713 T2715 V2768 L2796 | F2713-C2732 HydrophobicContact CD1-CB 4.23Å; F2713-C2732 WeakPolarHBondContact CD1-SG 3.44Å; F2713-C2732 VanDerWaalsContact CE1-SG 3.59Å; F2713-C2732 WeakPolarHBondContact CE1-SG 3.26Å; T2715-C2732 VanDerWaalsContact OG1-CA 3.25Å; T2715-C2732 WeakPolarHBondContact OG1-CA 3.2Å; C2732-V2768 PolarHBondContact N-O 2.97Å; C2732-V2768 PolarHBondContact O-N 3.05Å; C2732-V2768 VanDerWaalsContact O-O 3.1Å; C2732-V2768 PolarHBondContact SG-O 3.1Å; C2732-L2796 HydrophobicContact CB-CD1 3.7Å; C2732-L2796 HydrophobicContact CB-CD2 3.67Å |
| 2733 | Q | 90.6 | Very high | 85.1 | Confident | 0.75 Ų | 0.75 | 41.2 Ų | 41.2 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 132.6 | 173.4 | -71.5 | 167.7 | 41.3 | 0 | 0 | 110.3 | M2693 D2694 L2697 F2713 L2714 T2715 G2766 Y2767 | M2693-Q2733 HydrophobicContact CE-CB 4.44Å; M2693-Q2733 HydrophobicContact CE-CG 3.9Å; M2693-Q2733 VanDerWaalsContact CE-NE2 3.28Å; D2694-Q2733 PolarHBondContact O-NE2 2.92Å; L2697-Q2733 HydrophobicContact CD1-CB 4.37Å; L2697-Q2733 HydrophobicContact CD1-CG 4.35Å; L2697-Q2733 HydrophobicContact CG-CB 4.36Å; F2713-Q2733 CarbonylContact C-O 3.44Å; F2713-Q2733 VanDerWaalsContact CA-O 3.29Å; F2713-Q2733 WeakPolarHBondContact CA-O 3.28Å; L2714-Q2733 HydrophobicContact CB-CB 4.35Å; L2714-Q2733 PolarHBondContact N-O 2.89Å; T2715-Q2733 HydrophobicContact CG2-CB 4.23Å; T2715-Q2733 HydrophobicContact CG2-CG 4.35Å; T2715-Q2733 PolarHBondContact OG1-N 3.2Å; Q2733-G2766 CarbonylContact C-O 3.58Å; Q2733-G2766 VanDerWaalsContact CA-O 3.26Å; Q2733-G2766 WeakPolarHBondContact CA-O 3.27Å; Q2733-Y2767 HydrophobicContact CG-CD2 4.45Å |
| 2734 | L | 91.3 | Very high | 85.5 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 138.4 | -172.6 | 168.1 | 67.8 | 0 | 0 | 0 | 109.8 | P2711 E2712 F2713 M2742 V2744 G2766 V2768 A2787 | P2711-L2734 HydrophobicContact CB-CD1 4.04Å; E2712-L2734 WeakPolarHBondContact O-CA 3.17Å; F2713-L2734 HydrophobicContact CD1-CB 4.12Å; F2713-L2734 HydrophobicContact CD1-CD1 3.95Å; F2713-L2734 HydrophobicContact CE1-CB 4.17Å; F2713-L2734 HydrophobicContact CE1-CD1 3.86Å; F2713-L2734 HydrophobicContact CE1-CD2 4.47Å; F2713-L2734 HydrophobicContact CE1-CG 4.39Å; F2713-L2734 HydrophobicContact CG-CD1 4.37Å; F2713-L2734 HydrophobicContact CZ-CD1 4.2Å; L2734-M2742 HydrophobicContact CD1-CE 3.92Å; L2734-M2742 HydrophobicContact CD1-CG 4.46Å; L2734-M2742 HydrophobicContact CD1-SD 3.84Å; L2734-M2742 HydrophobicContact CD2-CE 4.46Å; L2734-M2742 HydrophobicContact CD2-CG 3.94Å; L2734-M2742 HydrophobicContact CD2-SD 4.02Å; L2734-M2742 HydrophobicContact CG-SD 4.44Å; L2734-V2744 HydrophobicContact CD2-CG2 3.63Å; L2734-V2744 VanDerWaalsContact CD2-CG2 3.49Å; L2734-G2766 PolarHBondContact N-O 2.82Å; L2734-G2766 VanDerWaalsContact O-CA 3.26Å; L2734-G2766 WeakPolarHBondContact O-CA 3.26Å; L2734-V2768 HydrophobicContact CB-CG2 4.07Å; L2734-V2768 HydrophobicContact CD2-CG2 3.94Å; L2734-A2787 HydrophobicContact CD1-CB 3.69Å; L2734-A2787 HydrophobicContact CD2-CB 3.64Å; L2734-A2787 HydrophobicContact CG-CB 4.27Å |
| 2735 | W | 89.8 | Confident | 86 | Confident | 49.25 Ų | 49.25 | 39.9 Ų | 39.9 | 19% | 0.187 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 159.9 | 170.3 | 78 | -76.4 | 0 | 0 | 0 | 111 | L2697 H2701 Q2709 P2711 E2712 L2714 V2737 | L2697-W2735 HydrophobicContact CD2-CB 4.24Å; H2701-W2735 HydrophobicContact CB-CB 3.85Å; H2701-W2735 HydrophobicContact CB-CD2 4.45Å; H2701-W2735 HydrophobicContact CB-CE3 4.44Å; H2701-W2735 HydrophobicContact CB-CG 4.23Å; H2701-W2735 AromaticContact CD2-CD2 3.78Å; H2701-W2735 AromaticContact CD2-CE2 3.99Å; H2701-W2735 AromaticContact CD2-CG 3.9Å; Q2709-W2735 HydrophobicContact CG-CZ3 4.46Å; P2711-W2735 CarbonylContact C-O 3.56Å; P2711-W2735 VanDerWaalsContact CA-O 3.3Å; P2711-W2735 WeakPolarHBondContact CA-O 3.38Å; E2712-W2735 HydrophobicContact CB-CZ2 4.33Å; E2712-W2735 VanDerWaalsContact CB-NE1 3.32Å; E2712-W2735 HydrophobicContact CG-CZ2 4.44Å; E2712-W2735 PolarHBondContact N-O 3.18Å; E2712-W2735 PolarHBondContact O-N 3.03Å; E2712-W2735 WeakPolarHBondContact OE2-CZ2 3.41Å; E2712-W2735 PolarHBondContact OE2-NE1 2.72Å; L2714-W2735 HydrophobicContact CG-CG 4.44Å; W2735-V2737 HydrophobicContact CB-CG2 4.38Å |
| 2736 | P | 89.9 | Confident | 86.8 | Confident | 3.5 Ų | 3.5 | 39 Ų | 39 | 2% | 0.023 | 19% | 0.194 | C | C | . | . | S | Bend | cis | -66.1 | 135.7 | 0 | 26.8 | -36.4 | 0 | 0 | 0 | 114.2 | H2701 Y2703 Q2709 K2710 D2739 M2742 | H2701-P2736 CarbonylContact O-C 3.48Å; H2701-P2736 VanDerWaalsContact O-CA 3.3Å; H2701-P2736 WeakPolarHBondContact O-CA 3.33Å; Y2703-P2736 HydrophobicContact CD2-CB 4.27Å; Y2703-P2736 HydrophobicContact CD2-CG 4.3Å; Q2709-P2736 HydrophobicContact CB-CB 4.25Å; Q2709-P2736 HydrophobicContact CB-CG 3.84Å; K2710-P2736 WeakPolarHBondContact O-CD 3.41Å; P2736-D2739 HydrophobicContact CB-CB 4.42Å; P2736-D2739 HydrophobicContact CG-CB 3.89Å; P2736-M2742 HydrophobicContact CG-CE 4.05Å |
| 2737 | V | 84.4 | Confident | 87.1 | Confident | 2.5 Ų | 2.5 | 39.3 Ų | 39.3 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -76.6 | 135.3 | 177.8 | -179.5 | 0 | 0 | 0 | 0 | 110 | L2683 L2697 H2701 L2702 Y2703 W2735 D2739 S2765 | L2683-V2737 HydrophobicContact CD1-CG1 3.95Å; L2683-V2737 HydrophobicContact CD2-CG1 4.08Å; L2697-V2737 HydrophobicContact CD1-CG2 4.01Å; L2697-V2737 HydrophobicContact CD2-CG2 3.4Å; L2697-V2737 VanDerWaalsContact CD2-CG2 3.44Å; L2697-V2737 HydrophobicContact CG-CG2 4.28Å; H2701-V2737 PolarHBondContact O-N 3.06Å; L2702-V2737 HydrophobicContact CD2-CB 4.4Å; L2702-V2737 HydrophobicContact CD2-CG1 4.42Å; Y2703-V2737 VanDerWaalsContact CB-O 3.29Å; Y2703-V2737 WeakPolarHBondContact CB-O 3.36Å; Y2703-V2737 PolarHBondContact N-O 2.92Å; W2735-V2737 HydrophobicContact CB-CG2 4.38Å; V2737-D2739 VanDerWaalsContact C-N 3.3Å; V2737-D2739 PolarHBondContact O-N 2.79Å; V2737-S2765 VanDerWaalsContact CG1-C 3.44Å; V2737-S2765 VanDerWaalsContact CG1-O 3.28Å; V2737-S2765 WeakPolarHBondContact CG1-O 3.31Å |
| 2738 | N | 77.8 | Confident | 87.2 | Confident | 69.25 Ų | 69.25 | 36.1 Ų | 36.1 | 37% | 0.37 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 27.5 | -176.8 | -51.3 | -35.6 | 0 | 0 | 0 | 114.3 | L2671 P2740 | L2671-N2738 WeakPolarHBondContact CD2-OD1 3.3Å; N2738-P2740 VanDerWaalsContact O-CD 3.31Å; N2738-P2740 WeakPolarHBondContact O-CD 3.28Å |
| 2739 | D | 83.6 | Confident | 87.1 | Confident | 8.75 Ų | 8.75 | 39.2 Ų | 39.2 | 5% | 0.047 | 19% | 0.19 | C | C | . | . | trans | -69.8 | 117.6 | 165.1 | 177.4 | -4.1 | 0 | 0 | 0 | 109.4 | Y2703 P2736 V2737 N2741 M2742 N2789 | Y2703-D2739 HydrophobicContact CD2-CB 3.53Å; Y2703-D2739 VanDerWaalsContact CD2-CB 3.48Å; Y2703-D2739 HydrophobicContact CE2-CB 4.09Å; Y2703-D2739 HydrophobicContact CG-CB 3.97Å; P2736-D2739 HydrophobicContact CB-CB 4.42Å; P2736-D2739 HydrophobicContact CG-CB 3.89Å; V2737-D2739 VanDerWaalsContact C-N 3.3Å; V2737-D2739 PolarHBondContact O-N 2.79Å; D2739-N2741 PolarHBondContact O-N 3.13Å; D2739-N2741 VanDerWaalsContact O-N 3.09Å; D2739-N2741 WeakPolarHBondContact OD1-CB 3.39Å; D2739-N2741 PolarHBondContact OD1-N 3.03Å; D2739-N2741 PolarHBondContact OD1-ND2 3.11Å; D2739-N2741 VanDerWaalsContact OD1-ND2 3.1Å; D2739-M2742 HydrophobicContact CB-CB 4.23Å; D2739-M2742 HydrophobicContact CB-CE 4.26Å; D2739-M2742 WeakPolarHBondContact O-CB 3.29Å; D2739-M2742 PolarHBondContact O-N 3.05Å; D2739-M2742 VanDerWaalsContact O-N 3.14Å; D2739-N2789 WeakPolarHBondContact OD2-CB 3.32Å; D2739-N2789 PolarHBondContact OD2-ND2 3Å | ||
| 2740 | P | 77.2 | Confident | 86.7 | Confident | 98.75 Ų | 98.75 | 44.1 Ų | 44.1 | 64% | 0.641 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -7.6 | -177.3 | 27 | -34 | 0 | 0 | 0 | 113.8 | Y2703 N2738 | Y2703-P2740 HydrophobicContact CE1-CG 4.3Å; N2738-P2740 VanDerWaalsContact O-CD 3.31Å; N2738-P2740 WeakPolarHBondContact O-CD 3.28Å |
| 2741 | N | 80.2 | Confident | 85.7 | Confident | 47.25 Ų | 47.25 | 48.2 Ų | 48.2 | 25% | 0.253 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 8.4 | -180 | -43.9 | -82.7 | 0 | 0 | 0 | 113 | D2739 K2743 N2789 K2790 | D2739-N2741 PolarHBondContact O-N 3.13Å; D2739-N2741 VanDerWaalsContact O-N 3.09Å; D2739-N2741 WeakPolarHBondContact OD1-CB 3.39Å; D2739-N2741 PolarHBondContact OD1-N 3.03Å; D2739-N2741 PolarHBondContact OD1-ND2 3.11Å; D2739-N2741 VanDerWaalsContact OD1-ND2 3.1Å; N2741-K2743 PolarHBondContact O-N 3.22Å; N2741-N2789 HydrophobicContact CB-CB 4.49Å; N2741-N2789 WeakPolarHBondContact O-CA 3.41Å; N2741-K2790 HydrophobicContact CB-CD 4.09Å; N2741-K2790 HydrophobicContact CB-CG 3.91Å; N2741-K2790 VanDerWaalsContact CG-CD 3.48Å; N2741-K2790 VanDerWaalsContact CG-CE 3.45Å; N2741-K2790 VanDerWaalsContact OD1-CD 3.31Å; N2741-K2790 WeakPolarHBondContact OD1-CD 3.36Å; N2741-K2790 WeakPolarHBondContact OD1-CE 3.42Å; N2741-K2790 PolarHBondContact OD1-NZ 2.95Å |
| 2742 | M | 85.8 | Confident | 85.1 | Confident | 36.5 Ų | 36.5 | 49.3 Ų | 49.3 | 18% | 0.18 | 24% | 0.239 | C | C | . | . | trans | -77.5 | 121.3 | -178.3 | -169.1 | 64.5 | 69.5 | 0 | 0 | 111.3 | P2711 L2734 P2736 D2739 V2744 A2787 V2788 N2789 | P2711-M2742 HydrophobicContact CB-CE 3.86Å; P2711-M2742 HydrophobicContact CB-SD 3.81Å; P2711-M2742 HydrophobicContact CG-CE 4.02Å; P2711-M2742 HydrophobicContact CG-SD 3.86Å; L2734-M2742 HydrophobicContact CD1-CE 3.92Å; L2734-M2742 HydrophobicContact CD1-CG 4.46Å; L2734-M2742 HydrophobicContact CD1-SD 3.84Å; L2734-M2742 HydrophobicContact CD2-CE 4.46Å; L2734-M2742 HydrophobicContact CD2-CG 3.94Å; L2734-M2742 HydrophobicContact CD2-SD 4.02Å; L2734-M2742 HydrophobicContact CG-SD 4.44Å; P2736-M2742 HydrophobicContact CG-CE 4.05Å; D2739-M2742 HydrophobicContact CB-CB 4.23Å; D2739-M2742 HydrophobicContact CB-CE 4.26Å; D2739-M2742 WeakPolarHBondContact O-CB 3.29Å; D2739-M2742 PolarHBondContact O-N 3.05Å; D2739-M2742 VanDerWaalsContact O-N 3.14Å; M2742-V2744 HydrophobicContact CG-CG2 4.42Å; M2742-A2787 HydrophobicContact SD-CB 4.25Å; M2742-V2788 CarbonylContact C-O 3.44Å; M2742-V2788 WeakPolarHBondContact CA-O 3.38Å; M2742-N2789 HydrophobicContact CE-CB 4.21Å; M2742-N2789 HydrophobicContact SD-CB 4.22Å | ||
| 2743 | K | 85.5 | Confident | 84.6 | Confident | 120.5 Ų | 120.5 | 50.1 Ų | 50.1 | 52% | 0.524 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 137.3 | 172.8 | -164.5 | -173.2 | -170.9 | -164 | 0 | 109.6 | N2741 E2745 A2787 V2788 | N2741-K2743 PolarHBondContact O-N 3.22Å; K2743-E2745 HydrophobicContact CD-CG 4.37Å; K2743-E2745 WeakPolarHBondContact CE-OE1 3.2Å; K2743-E2745 HydrophobicContact CG-CG 4.45Å; K2743-E2745 IonicContact NZ-OE1 3.29Å; K2743-E2745 PolarHBondContact NZ-OE1 2.95Å; K2743-A2787 CarbonylContact O-C 3.54Å; K2743-A2787 VanDerWaalsContact O-CA 3.29Å; K2743-A2787 WeakPolarHBondContact O-CA 3.33Å; K2743-V2788 PolarHBondContact N-O 3.06Å; K2743-V2788 PolarHBondContact O-N 3.02Å |
| 2744 | V | 89.6 | Confident | 83.6 | Confident | 16.5 Ų | 16.5 | 56.8 Ų | 56.8 | 10% | 0.1 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 128.3 | 178.5 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | L2734 M2742 N2763 V2768 C2785 V2786 A2787 | L2734-V2744 HydrophobicContact CD2-CG2 3.63Å; L2734-V2744 VanDerWaalsContact CD2-CG2 3.49Å; M2742-V2744 HydrophobicContact CG-CG2 4.42Å; V2744-N2763 WeakPolarHBondContact CG2-ND2 3.35Å; V2744-V2768 HydrophobicContact CG1-CG1 3.66Å; V2744-V2768 HydrophobicContact CG1-CG2 4.4Å; V2744-V2768 HydrophobicContact CG2-CG2 4.24Å; V2744-C2785 VanDerWaalsContact CG1-SG 3.59Å; V2744-V2786 CarbonylContact C-O 3.55Å; V2744-V2786 WeakPolarHBondContact CA-O 3.24Å; V2744-A2787 HydrophobicContact CG2-CB 4.3Å |
| 2745 | E | 88.3 | Confident | 82.6 | Confident | 60.25 Ų | 60.25 | 61.7 Ų | 61.7 | 28% | 0.282 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 149.6 | -178.1 | -65.1 | 179.8 | 160.3 | 0 | 0 | 110.5 | K2743 Y2747 C2785 V2786 | K2743-E2745 HydrophobicContact CD-CG 4.37Å; K2743-E2745 WeakPolarHBondContact CE-OE1 3.2Å; K2743-E2745 HydrophobicContact CG-CG 4.45Å; K2743-E2745 IonicContact NZ-OE1 3.29Å; K2743-E2745 PolarHBondContact NZ-OE1 2.95Å; E2745-Y2747 HydrophobicContact CB-CE2 3.9Å; E2745-Y2747 PolarHBondContact OE2-OH 3Å; E2745-C2785 WeakPolarHBondContact O-CA 3.24Å; E2745-V2786 PolarHBondContact N-O 3.02Å; E2745-V2786 PolarHBondContact O-N 3.11Å |
| 2746 | W | 89.8 | Confident | 81.3 | Confident | 13.75 Ų | 13.75 | 61.2 Ų | 61.2 | 5% | 0.052 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 139.1 | 179.5 | -75.5 | 79.1 | 0 | 0 | 0 | 111.1 | M2717 F2730 V2753 L2761 V2768 L2770 S2784 C2785 | M2717-W2746 HydrophobicContact CE-CE3 4.5Å; M2717-W2746 HydrophobicContact CE-CH2 3.25Å; M2717-W2746 HydrophobicContact CE-CZ2 4.16Å; M2717-W2746 HydrophobicContact CE-CZ3 3.5Å; M2717-W2746 VanDerWaalsContact CE-CZ3 3.44Å; M2717-W2746 HydrophobicContact SD-CH2 3.85Å; M2717-W2746 HydrophobicContact SD-CZ3 3.7Å; M2717-W2746 VanDerWaalsContact SD-CZ3 3.58Å; F2730-W2746 HydrophobicContact CB-CH2 3.49Å; F2730-W2746 VanDerWaalsContact CB-CH2 3.43Å; F2730-W2746 HydrophobicContact CB-CZ3 3.71Å; F2730-W2746 HydrophobicContact CD2-CZ3 4.37Å; F2730-W2746 HydrophobicContact CG-CH2 4.44Å; F2730-W2746 HydrophobicContact CG-CZ3 4.22Å; W2746-V2753 HydrophobicContact CB-CB 4.24Å; W2746-V2753 HydrophobicContact CB-CG2 3.96Å; W2746-V2753 PolarHBondContact O-N 3Å; W2746-L2761 VanDerWaalsContact CD1-CD1 3.46Å; W2746-L2761 HydrophobicContact CG-CD1 4.33Å; W2746-L2761 VanDerWaalsContact NE1-CD1 3.25Å; W2746-V2768 HydrophobicContact CZ2-CG1 3.97Å; W2746-L2770 HydrophobicContact CB-CD2 4.38Å; W2746-L2770 HydrophobicContact CD2-CB 3.68Å; W2746-L2770 HydrophobicContact CD2-CD2 3.9Å; W2746-L2770 HydrophobicContact CD2-CG 4.29Å; W2746-L2770 HydrophobicContact CE3-CB 3.71Å; W2746-L2770 HydrophobicContact CE3-CD2 3.53Å; W2746-L2770 HydrophobicContact CE3-CG 4.24Å; W2746-L2770 HydrophobicContact CG-CB 4.35Å; W2746-L2770 HydrophobicContact CG-CD1 4.39Å; W2746-L2770 HydrophobicContact CG-CD2 4.29Å; W2746-L2770 HydrophobicContact CH2-CB 3.67Å; W2746-L2770 HydrophobicContact CZ2-CB 3.65Å; W2746-L2770 HydrophobicContact CZ3-CB 3.71Å; W2746-L2770 HydrophobicContact CZ3-CD2 4.04Å; W2746-L2770 HydrophobicContact CZ3-CG 4.46Å; W2746-S2784 CarbonylContact C-O 3.55Å; W2746-S2784 WeakPolarHBondContact CA-O 3.43Å; W2746-C2785 HydrophobicContact CD2-CB 3.94Å; W2746-C2785 HydrophobicContact CE3-CB 4.01Å; W2746-C2785 HydrophobicContact CH2-CB 3.93Å; W2746-C2785 HydrophobicContact CZ2-CB 3.82Å; W2746-C2785 HydrophobicContact CZ3-CB 4.02Å |
| 2747 | Y | 88.5 | Confident | 79.9 | Confident | 66 Ų | 66 | 64.9 Ų | 64.9 | 26% | 0.259 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 138.2 | 178.3 | -61.4 | -99.9 | 0 | 0 | 0 | 110.1 | E2745 R2750 Q2751 P2752 Y2783 S2784 V2786 | E2745-Y2747 HydrophobicContact CB-CE2 3.9Å; E2745-Y2747 PolarHBondContact OE2-OH 3Å; Y2747-R2750 WeakPolarHBondContact CD1-O 3.39Å; Y2747-Q2751 CarbonylContact C-O 3.53Å; Y2747-Q2751 VanDerWaalsContact C-O 3.27Å; Y2747-Q2751 WeakPolarHBondContact CA-O 3.25Å; Y2747-Q2751 VanDerWaalsContact CB-O 3.24Å; Y2747-Q2751 WeakPolarHBondContact CB-O 3.41Å; Y2747-P2752 HydrophobicContact CD1-CB 4.31Å; Y2747-P2752 HydrophobicContact CD1-CG 4.4Å; Y2747-P2752 HydrophobicContact CE1-CB 4.23Å; Y2747-P2752 HydrophobicContact CE1-CG 4.23Å; Y2747-Y2783 CarbonylContact O-C 3.57Å; Y2747-Y2783 VanDerWaalsContact O-CA 3.25Å; Y2747-Y2783 WeakPolarHBondContact O-CA 3.37Å; Y2747-S2784 PolarHBondContact N-O 3.09Å; Y2747-S2784 PolarHBondContact O-N 3.15Å; Y2747-V2786 HydrophobicContact CD2-CB 4.43Å; Y2747-V2786 HydrophobicContact CD2-CG2 3.72Å; Y2747-V2786 HydrophobicContact CE2-CB 4.11Å; Y2747-V2786 HydrophobicContact CE2-CG2 3.67Å |
| 2748 | H | 87.4 | Confident | 79.7 | Confident | 36.5 Ų | 36.5 | 65.3 Ų | 65.3 | 17% | 0.169 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.5 | 168.6 | 171.5 | -138 | 0 | 0 | 0 | 108.1 | R2750 Q2751 V2753 D2779 S2780 Q2782 Y2783 | H2748-R2750 VanDerWaalsContact C-N 3.26Å; H2748-R2750 PolarHBondContact O-N 2.86Å; H2748-R2750 VanDerWaalsContact O-N 3.13Å; H2748-Q2751 PolarHBondContact N-O 3.27Å; H2748-Q2751 WeakPolarHBondContact O-CA 2.7Å; H2748-Q2751 VanDerWaalsContact O-CB 3.25Å; H2748-Q2751 WeakPolarHBondContact O-CB 3.48Å; H2748-Q2751 PolarHBondContact O-N 2.85Å; H2748-Q2751 VanDerWaalsContact O-O 3.11Å; H2748-V2753 HydrophobicContact CB-CG2 3.88Å; H2748-D2779 VanDerWaalsContact CE1-C 3.49Å; H2748-D2779 PolarHBondContact CE1-O 3.16Å; H2748-D2779 PolarHBondContact ND1-O 2.91Å; H2748-D2779 PolarHBondContact NE2-O 2.9Å; H2748-S2780 PolarHBondContact CE1-O 2.73Å; H2748-S2780 PolarHBondContact NE2-O 2.72Å; H2748-Q2782 CarbonylContact C-O 3.54Å; H2748-Q2782 WeakPolarHBondContact CA-O 3.24Å; H2748-Y2783 HydrophobicContact CB-CD1 4.1Å; H2748-Y2783 HydrophobicContact CB-CE1 3.78Å; H2748-Y2783 AromaticContact CD2-CD2 3.89Å; H2748-Y2783 AromaticContact CD2-CE1 3.95Å; H2748-Y2783 AromaticContact CD2-CE2 3.33Å; H2748-Y2783 WeakPolarHBondContact CD2-CE2 3.3Å; H2748-Y2783 AromaticContact CD2-CZ 3.36Å; H2748-Y2783 AromaticContact CE1-CE2 3.84Å; H2748-Y2783 AromaticContact CE1-CZ 3.96Å; H2748-Y2783 AromaticContact CG-CZ 3.82Å; H2748-Y2783 AromaticContact ND1-CD2 3.77Å; H2748-Y2783 AromaticContact ND1-CE1 3.67Å; H2748-Y2783 AromaticContact ND1-CE2 3.09Å; H2748-Y2783 WeakPolarHBondContact ND1-CE2 3.3Å; H2748-Y2783 AromaticContact ND1-CZ 3.05Å; H2748-Y2783 PolarHBondContact ND1-OH 3Å; H2748-Y2783 VanDerWaalsContact ND1-OH 3.16Å; H2748-Y2783 AromaticContact NE2-CE2 3.87Å; H2748-Y2783 AromaticContact NE2-CZ 3.96Å |
| 2749 | N | 85 | Confident | 79.9 | Confident | 66 Ų | 66 | 63 Ų | 63 | 35% | 0.353 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 41.8 | -177.3 | -68.2 | -32 | 0 | 0 | 0 | 112.6 | Q2751 S2780 G2781 Q2782 W2832 | N2749-Q2751 VanDerWaalsContact C-N 3.31Å; N2749-Q2751 PolarHBondContact O-N 3.05Å; N2749-Q2751 PolarHBondContact O-NE2 3.1Å; N2749-S2780 PolarHBondContact ND2-O 3.02Å; N2749-G2781 WeakPolarHBondContact OD1-CA 3.07Å; N2749-Q2782 PolarHBondContact N-O 2.96Å; N2749-Q2782 PolarHBondContact OD1-N 2.78Å; N2749-W2832 HydrophobicContact CB-CB 3.56Å; N2749-W2832 HydrophobicContact CB-CD2 4.31Å; N2749-W2832 HydrophobicContact CB-CG 3.6Å; N2749-W2832 CarbonylContact O-C 3.59Å; N2749-W2832 WeakPolarHBondContact O-CB 3.27Å |
| 2750 | R | 80.7 | Confident | 79.7 | Confident | 175.5 Ų | 175.5 | 67.6 Ų | 67.6 | 66% | 0.662 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 3.3 | -176.2 | -50.7 | 179 | -179.7 | -162.9 | -2.2 | 116 | Y2747 H2748 H2831 | Y2747-R2750 WeakPolarHBondContact CD1-O 3.39Å; H2748-R2750 VanDerWaalsContact C-N 3.26Å; H2748-R2750 PolarHBondContact O-N 2.86Å; H2748-R2750 VanDerWaalsContact O-N 3.13Å; R2750-H2831 WeakPolarHBondContact CD-CE1 3.45Å; R2750-H2831 WeakPolarHBondContact CD-ND1 3.24Å; R2750-H2831 PolarHBondContact NH1-CD2 3.1Å; R2750-H2831 PolarHBondContact NH1-NE2 3.12Å |
| 2751 | Q | 72 | Confident | 80 | Confident | 89 Ų | 89 | 65.8 Ų | 65.8 | 42% | 0.416 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 144.9 | 172.3 | -57.7 | -70.1 | -15 | 0 | 0 | 110.8 | Y2747 H2748 N2749 V2753 W2832 V2833 P2834 G3587 | Y2747-Q2751 CarbonylContact C-O 3.53Å; Y2747-Q2751 VanDerWaalsContact C-O 3.27Å; Y2747-Q2751 WeakPolarHBondContact CA-O 3.25Å; Y2747-Q2751 VanDerWaalsContact CB-O 3.24Å; Y2747-Q2751 WeakPolarHBondContact CB-O 3.41Å; H2748-Q2751 PolarHBondContact N-O 3.27Å; H2748-Q2751 WeakPolarHBondContact O-CA 2.7Å; H2748-Q2751 VanDerWaalsContact O-CB 3.25Å; H2748-Q2751 WeakPolarHBondContact O-CB 3.48Å; H2748-Q2751 PolarHBondContact O-N 2.85Å; H2748-Q2751 VanDerWaalsContact O-O 3.11Å; N2749-Q2751 VanDerWaalsContact C-N 3.31Å; N2749-Q2751 PolarHBondContact O-N 3.05Å; N2749-Q2751 PolarHBondContact O-NE2 3.1Å; Q2751-V2753 PolarHBondContact O-N 2.86Å; Q2751-V2753 VanDerWaalsContact O-N 3.11Å; Q2751-W2832 PolarHBondContact NE2-O 2.78Å; Q2751-V2833 VanDerWaalsContact CD-CA 3.46Å; Q2751-P2834 HydrophobicContact CB-CB 4.23Å; Q2751-P2834 VanDerWaalsContact CD-CB 3.49Å; Q2751-P2834 HydrophobicContact CG-CB 3.84Å; Q2751-P2834 HydrophobicContact CG-CG 4.42Å; Q2751-G3587 WeakPolarHBondContact CB-O 3.22Å; Q2751-G3587 WeakPolarHBondContact CG-O 3.27Å; Q2751-G3587 PolarHBondContact NE2-O 2.97Å; Q2751-G3587 PolarHBondContact OE1-O 3.28Å |
| 2752 | P | 79.4 | Confident | 80.2 | Confident | 71.5 Ų | 71.5 | 65.4 Ų | 65.4 | 46% | 0.464 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 134.5 | 177.5 | 14.5 | -18 | 0 | 0 | 0 | 110.2 | Y2747 M2754 | Y2747-P2752 HydrophobicContact CD1-CB 4.31Å; Y2747-P2752 HydrophobicContact CD1-CG 4.4Å; Y2747-P2752 HydrophobicContact CE1-CB 4.23Å; Y2747-P2752 HydrophobicContact CE1-CG 4.23Å; P2752-M2754 PolarHBondContact O-N 2.9Å; P2752-M2754 VanDerWaalsContact O-N 3.17Å |
| 2753 | V | 79.6 | Confident | 80 | Confident | 16.25 Ų | 16.25 | 67.1 Ų | 67.1 | 10% | 0.098 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 118.8 | 174.8 | 176.5 | 0 | 0 | 0 | 0 | 108.2 | W2746 H2748 Q2751 L2755 F2759 L2770 Y2783 | W2746-V2753 HydrophobicContact CB-CB 4.24Å; W2746-V2753 HydrophobicContact CB-CG2 3.96Å; W2746-V2753 PolarHBondContact O-N 3Å; H2748-V2753 HydrophobicContact CB-CG2 3.88Å; Q2751-V2753 PolarHBondContact O-N 2.86Å; Q2751-V2753 VanDerWaalsContact O-N 3.11Å; V2753-L2755 PolarHBondContact O-N 2.85Å; V2753-F2759 HydrophobicContact CG1-CB 4.01Å; V2753-F2759 HydrophobicContact CG1-CD1 3.56Å; V2753-F2759 VanDerWaalsContact CG1-CD1 3.43Å; V2753-F2759 HydrophobicContact CG1-CD2 4.24Å; V2753-F2759 HydrophobicContact CG1-CE1 4.03Å; V2753-F2759 HydrophobicContact CG1-CG 3.68Å; V2753-F2759 HydrophobicContact CG1-CZ 4.5Å; V2753-L2770 HydrophobicContact CG1-CD1 4.37Å; V2753-L2770 HydrophobicContact CG1-CD2 4.4Å; V2753-L2770 HydrophobicContact CG2-CD2 4.24Å; V2753-Y2783 HydrophobicContact CG2-CD1 4.18Å; V2753-Y2783 HydrophobicContact CG2-CE1 4.12Å |
| 2754 | M | 69.5 | Low | 79.6 | Confident | 140.5 Ų | 140.5 | 63 Ų | 63 | 69% | 0.692 | 31% | 0.313 | S | S | * | . | trans | -68.8 | 99.3 | 175.6 | -68.4 | -65.5 | -74.1 | 0 | 0 | 109.4 | P2752 G2756 F2759 | P2752-M2754 PolarHBondContact O-N 2.9Å; P2752-M2754 VanDerWaalsContact O-N 3.17Å; M2754-G2756 PolarHBondContact O-N 3.26Å; M2754-F2759 WeakPolarHBondContact O-CD2 3.28Å | ||
| 2755 | L | 69.7 | Low | 79 | Confident | 108.5 Ų | 108.5 | 63.7 Ų | 63.7 | 57% | 0.568 | 32% | 0.318 | S | S | * | . | trans | -64 | 130.1 | 177.4 | -61.3 | 178.8 | 0 | 0 | 0 | 109.6 | V2753 F2759 L2761 L2770 | V2753-L2755 PolarHBondContact O-N 2.85Å; L2755-F2759 HydrophobicContact CD2-CB 4.46Å; L2755-L2761 HydrophobicContact CD1-CB 4.21Å; L2755-L2761 HydrophobicContact CD1-CD2 4.23Å; L2755-L2761 HydrophobicContact CD2-CB 4.11Å; L2755-L2770 HydrophobicContact CD2-CD1 4.2Å | ||
| 2756 | G | 63 | Low | 78.6 | Confident | 37.5 Ų | 37.5 | 61.2 Ų | 61.2 | 39% | 0.387 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -158.6 | -151.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | M2754 R2758 F2759 K2760 | M2754-G2756 PolarHBondContact O-N 3.26Å; G2756-R2758 VanDerWaalsContact C-N 3.3Å; G2756-R2758 PolarHBondContact O-N 2.89Å; G2756-F2759 PolarHBondContact N-O 2.77Å; G2756-K2760 PolarHBondContact O-NZ 2.52Å |
| 2757 | H | 61.7 | Low | 78.6 | Confident | 82.25 Ų | 82.25 | 60.5 Ų | 60.5 | 38% | 0.381 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -75.6 | -31.6 | 177.3 | -124.2 | -85.5 | 0 | 0 | 0 | 112.3 | K2760 L2773 R2870 D2903 | H2757-K2760 VanDerWaalsContact O-CE 3.25Å; H2757-K2760 WeakPolarHBondContact O-CE 3.37Å; H2757-L2773 WeakPolarHBondContact O-CD1 3.38Å; H2757-R2870 PolarHBondContact CD2-NH1 2.82Å; H2757-R2870 PolarHBondContact CD2-NH2 3.41Å; H2757-R2870 PolarHBondContact CE1-NH1 3.35Å; H2757-R2870 VanDerWaalsContact CG-NH1 3.26Å; H2757-R2870 PolarHBondContact ND1-NH1 2.81Å; H2757-R2870 PolarHBondContact ND1-NH2 3.46Å; H2757-R2870 PolarHBondContact NE2-NH1 3.21Å; H2757-D2903 PolarHBondContact N-OD2 3.07Å |
| 2758 | R | 78.7 | Confident | 78.6 | Confident | 9.75 Ų | 9.75 | 57.4 Ų | 57.4 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -78.1 | -42.3 | -179.2 | -62.8 | -170.1 | -31.6 | 136.9 | -3.2 | 114.2 | G2756 V2771 L2772 L2773 Y2774 D2779 D2903 G2904 Y2907 | G2756-R2758 VanDerWaalsContact C-N 3.3Å; G2756-R2758 PolarHBondContact O-N 2.89Å; R2758-V2771 VanDerWaalsContact O-O 3.09Å; R2758-L2772 WeakPolarHBondContact O-CA 3.2Å; R2758-L2773 PolarHBondContact O-N 2.96Å; R2758-Y2774 WeakPolarHBondContact CD-OH 3.38Å; R2758-Y2774 HydrophobicContact CG-CD2 4.35Å; R2758-Y2774 HydrophobicContact CG-CE1 4.09Å; R2758-Y2774 HydrophobicContact CG-CE2 3.79Å; R2758-Y2774 VanDerWaalsContact CG-CZ 3.47Å; R2758-Y2774 VanDerWaalsContact CG-OH 3.23Å; R2758-Y2774 WeakPolarHBondContact CG-OH 3.4Å; R2758-Y2774 PolarHBondContact NH1-O 3.31Å; R2758-Y2774 VanDerWaalsContact NH1-O 3.1Å; R2758-D2779 IonicContact CZ-OD1 3.28Å; R2758-D2779 IonicContact CZ-OD2 3.05Å; R2758-D2779 IonicContact NH1-OD1 3.5Å; R2758-D2779 PolarHBondContact NH1-OD1 3.21Å; R2758-D2779 IonicContact NH1-OD2 3.08Å; R2758-D2779 PolarHBondContact NH1-OD2 3.12Å; R2758-D2779 IonicContact NH2-OD1 3.47Å; R2758-D2779 PolarHBondContact NH2-OD1 3.07Å; R2758-D2779 IonicContact NH2-OD2 3.37Å; R2758-D2779 PolarHBondContact NH2-OD2 3.03Å; R2758-D2903 WeakPolarHBondContact CD-OD1 3.28Å; R2758-D2903 WeakPolarHBondContact CG-OD1 3.39Å; R2758-D2903 VanDerWaalsContact CZ-O 3.28Å; R2758-D2903 PolarHBondContact N-OD2 3.24Å; R2758-D2903 PolarHBondContact NE-O 2.82Å; R2758-D2903 IonicContact NE-OD1 3.38Å; R2758-D2903 PolarHBondContact NE-OD1 2.92Å; R2758-D2903 VanDerWaalsContact NE-OD1 3.11Å; R2758-D2903 PolarHBondContact NH2-O 3.08Å; R2758-G2904 VanDerWaalsContact NH1-CA 3.29Å; R2758-G2904 PolarHBondContact NH1-O 2.9Å; R2758-Y2907 WeakPolarHBondContact CG-OH 3.37Å |
| 2759 | F | 81.9 | Confident | 78.8 | Confident | 20.75 Ų | 20.75 | 55.7 Ų | 55.7 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 103.8 | -176.1 | -62.8 | -83.9 | 0 | 0 | 0 | 109.9 | V2753 M2754 L2755 G2756 L2770 L2772 Y2783 | V2753-F2759 HydrophobicContact CG1-CB 4.01Å; V2753-F2759 HydrophobicContact CG1-CD1 3.56Å; V2753-F2759 VanDerWaalsContact CG1-CD1 3.43Å; V2753-F2759 HydrophobicContact CG1-CD2 4.24Å; V2753-F2759 HydrophobicContact CG1-CE1 4.03Å; V2753-F2759 HydrophobicContact CG1-CG 3.68Å; V2753-F2759 HydrophobicContact CG1-CZ 4.5Å; M2754-F2759 WeakPolarHBondContact O-CD2 3.28Å; L2755-F2759 HydrophobicContact CD2-CB 4.46Å; G2756-F2759 PolarHBondContact N-O 2.77Å; F2759-L2770 HydrophobicContact CB-CD1 4.26Å; F2759-L2770 HydrophobicContact CD1-CD1 4.35Å; F2759-L2770 HydrophobicContact CD1-CD2 4.48Å; F2759-L2772 HydrophobicContact CD1-CD1 3.85Å; F2759-L2772 HydrophobicContact CD1-CD2 4.35Å; F2759-L2772 HydrophobicContact CD1-CG 3.68Å; F2759-L2772 HydrophobicContact CE1-CD1 3.93Å; F2759-L2772 HydrophobicContact CE1-CD2 3.74Å; F2759-L2772 HydrophobicContact CE1-CG 3.53Å; F2759-L2772 VanDerWaalsContact CE1-CG 3.49Å; F2759-L2772 HydrophobicContact CZ-CD2 4.42Å; F2759-L2772 HydrophobicContact CZ-CG 4.48Å; F2759-Y2783 HydrophobicContact CE1-CE1 4.19Å |
| 2760 | K | 79.7 | Confident | 79.1 | Confident | 106 Ų | 106 | 52.5 Ų | 52.5 | 46% | 0.461 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 123.8 | 175.3 | -89.7 | -158.3 | 179.5 | 178.8 | 0 | 110.5 | G2756 H2757 V2771 L2773 | G2756-K2760 PolarHBondContact O-NZ 2.52Å; H2757-K2760 VanDerWaalsContact O-CE 3.25Å; H2757-K2760 WeakPolarHBondContact O-CE 3.37Å; K2760-V2771 HydrophobicContact CB-CB 4.3Å; K2760-V2771 PolarHBondContact N-O 3.06Å; K2760-V2771 PolarHBondContact O-N 3.11Å; K2760-L2773 HydrophobicContact CD-CD1 4.42Å; K2760-L2773 HydrophobicContact CD-CD2 4.11Å; K2760-L2773 HydrophobicContact CD-CG 4.39Å; K2760-L2773 HydrophobicContact CG-CD1 4.45Å; K2760-L2773 HydrophobicContact CG-CG 4.41Å |
| 2761 | L | 84.4 | Confident | 79.5 | Confident | 60 Ų | 60 | 44.8 Ų | 44.8 | 31% | 0.314 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 136.1 | 174.5 | -176 | 67.3 | 0 | 0 | 0 | 110.5 | H2618 W2746 L2755 A2769 | H2618-L2761 PolarHBondContact CD2-O 2.98Å; W2746-L2761 VanDerWaalsContact CD1-CD1 3.46Å; W2746-L2761 HydrophobicContact CG-CD1 4.33Å; W2746-L2761 VanDerWaalsContact NE1-CD1 3.25Å; L2755-L2761 HydrophobicContact CD1-CB 4.21Å; L2755-L2761 HydrophobicContact CD1-CD2 4.23Å; L2755-L2761 HydrophobicContact CD2-CB 4.11Å; L2761-A2769 CarbonylContact C-O 3.46Å |
| 2762 | I | 83.7 | Confident | 80.3 | Confident | 40 Ų | 40 | 40.6 Ų | 40.6 | 21% | 0.205 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 125.9 | 168.8 | -54.9 | 174.9 | 0 | 0 | 0 | 107.1 | D2764 Y2767 V2768 A2769 V2771 | I2762-D2764 HydrophobicContact CG2-CB 4.48Å; I2762-Y2767 HydrophobicContact CB-CE1 4.49Å; I2762-Y2767 HydrophobicContact CG2-CD1 4.02Å; I2762-Y2767 HydrophobicContact CG2-CE1 4.13Å; I2762-V2768 CarbonylContact O-C 3.51Å; I2762-V2768 VanDerWaalsContact O-CA 3.29Å; I2762-V2768 WeakPolarHBondContact O-CA 3.31Å; I2762-A2769 HydrophobicContact CB-CB 4.25Å; I2762-A2769 HydrophobicContact CD1-CB 4.44Å; I2762-A2769 PolarHBondContact N-O 3Å; I2762-A2769 PolarHBondContact O-N 3.11Å; I2762-V2771 HydrophobicContact CD1-CG2 4.09Å |
| 2763 | N | 82.2 | Confident | 80.3 | Confident | 72.75 Ų | 72.75 | 40.2 Ų | 40.2 | 39% | 0.389 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 95.9 | 172.4 | -177.5 | 15 | 0 | 0 | 0 | 108 | V2744 Y2767 | V2744-N2763 WeakPolarHBondContact CG2-ND2 3.35Å; N2763-Y2767 CarbonylContact C-O 3.54Å; N2763-Y2767 WeakPolarHBondContact CA-O 3.22Å |
| 2764 | D | 77.6 | Confident | 80.3 | Confident | 34.75 Ų | 34.75 | 40.9 Ų | 40.9 | 19% | 0.186 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 118.5 | -172.9 | -175.4 | -1 | 0 | 0 | 0 | 110.6 | H2686 Y2690 I2762 G2766 Y2767 | H2686-D2764 IonicContact CD2-OD2 3.55Å; H2686-D2764 PolarHBondContact CD2-OD2 2.92Å; H2686-D2764 IonicContact CE1-OD2 3.13Å; H2686-D2764 IonicContact NE2-OD1 2.99Å; H2686-D2764 IonicContact NE2-OD2 3.41Å; H2686-D2764 PolarHBondContact NE2-OD2 2.82Å; Y2690-D2764 WeakPolarHBondContact CE2-OD2 3.18Å; I2762-D2764 HydrophobicContact CG2-CB 4.48Å; D2764-G2766 VanDerWaalsContact C-N 3.26Å; D2764-G2766 PolarHBondContact O-N 3.21Å; D2764-G2766 VanDerWaalsContact O-N 3.1Å; D2764-Y2767 PolarHBondContact N-O 3.03Å; D2764-Y2767 WeakPolarHBondContact O-CA 3.33Å; D2764-Y2767 WeakPolarHBondContact O-CB 3.28Å; D2764-Y2767 PolarHBondContact O-N 2.97Å |
| 2765 | S | 77 | Confident | 81 | Confident | 29.5 Ų | 29.5 | 34.2 Ų | 34.2 | 21% | 0.206 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 39.2 | 168 | -53.6 | 0 | 0 | 0 | 0 | 114.5 | V2737 Y2767 | V2737-S2765 VanDerWaalsContact CG1-C 3.44Å; V2737-S2765 VanDerWaalsContact CG1-O 3.28Å; V2737-S2765 WeakPolarHBondContact CG1-O 3.31Å; S2765-Y2767 VanDerWaalsContact C-N 3.32Å |
| 2766 | G | 79.9 | Confident | 81.5 | Confident | 8 Ų | 8 | 29.6 Ų | 29.6 | 8% | 0.082 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | 0.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q2733 L2734 D2764 | Q2733-G2766 CarbonylContact C-O 3.58Å; Q2733-G2766 VanDerWaalsContact CA-O 3.26Å; Q2733-G2766 WeakPolarHBondContact CA-O 3.27Å; L2734-G2766 PolarHBondContact N-O 2.82Å; L2734-G2766 VanDerWaalsContact O-CA 3.26Å; L2734-G2766 WeakPolarHBondContact O-CA 3.26Å; D2764-G2766 VanDerWaalsContact C-N 3.26Å; D2764-G2766 PolarHBondContact O-N 3.21Å; D2764-G2766 VanDerWaalsContact O-N 3.1Å |
| 2767 | Y | 88.1 | Confident | 82.2 | Confident | 0.5 Ų | 0.5 | 29.5 Ų | 29.5 | 0% | 0.002 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 124.6 | 170.4 | 178.1 | -96.6 | 0 | 0 | 0 | 110.4 | L2687 T2691 M2693 R2729 E2731 Q2733 I2762 N2763 D2764 S2765 A2769 | L2687-Y2767 VanDerWaalsContact CD2-CB 3.44Å; L2687-Y2767 HydrophobicContact CD2-CG 4.09Å; T2691-Y2767 VanDerWaalsContact CB-CE2 3.46Å; T2691-Y2767 HydrophobicContact CG2-CD2 4.08Å; T2691-Y2767 HydrophobicContact CG2-CE2 3.73Å; M2693-Y2767 HydrophobicContact CE-CE2 4.36Å; R2729-Y2767 VanDerWaalsContact CZ-OH 3.28Å; R2729-Y2767 PolarHBondContact NE-OH 3.19Å; R2729-Y2767 VanDerWaalsContact NE-OH 3.1Å; R2729-Y2767 VanDerWaalsContact NH2-CE1 3.31Å; R2729-Y2767 PolarHBondContact NH2-OH 3.02Å; E2731-Y2767 HydrophobicContact CB-CE2 3.99Å; E2731-Y2767 VanDerWaalsContact CB-OH 3.28Å; E2731-Y2767 WeakPolarHBondContact CB-OH 3.08Å; E2731-Y2767 WeakPolarHBondContact OE2-CE2 3.28Å; E2731-Y2767 PolarHBondContact OE2-OH 3.06Å; Q2733-Y2767 HydrophobicContact CG-CD2 4.45Å; I2762-Y2767 HydrophobicContact CB-CE1 4.49Å; I2762-Y2767 HydrophobicContact CG2-CD1 4.02Å; I2762-Y2767 HydrophobicContact CG2-CE1 4.13Å; N2763-Y2767 CarbonylContact C-O 3.54Å; N2763-Y2767 WeakPolarHBondContact CA-O 3.22Å; D2764-Y2767 PolarHBondContact N-O 3.03Å; D2764-Y2767 WeakPolarHBondContact O-CA 3.33Å; D2764-Y2767 WeakPolarHBondContact O-CB 3.28Å; D2764-Y2767 PolarHBondContact O-N 2.97Å; S2765-Y2767 VanDerWaalsContact C-N 3.32Å; Y2767-A2769 HydrophobicContact CE1-CB 3.75Å; Y2767-A2769 WeakPolarHBondContact OH-CB 3.26Å |
| 2768 | V | 90 | Very high | 83 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127.8 | -177.5 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | E2731 C2732 L2734 V2744 W2746 I2762 | E2731-V2768 CarbonylContact C-O 3.5Å; E2731-V2768 WeakPolarHBondContact CA-O 3.17Å; C2732-V2768 PolarHBondContact N-O 2.97Å; C2732-V2768 PolarHBondContact O-N 3.05Å; C2732-V2768 VanDerWaalsContact O-O 3.1Å; C2732-V2768 PolarHBondContact SG-O 3.1Å; L2734-V2768 HydrophobicContact CB-CG2 4.07Å; L2734-V2768 HydrophobicContact CD2-CG2 3.94Å; V2744-V2768 HydrophobicContact CG1-CG1 3.66Å; V2744-V2768 HydrophobicContact CG1-CG2 4.4Å; V2744-V2768 HydrophobicContact CG2-CG2 4.24Å; W2746-V2768 HydrophobicContact CZ2-CG1 3.97Å; I2762-V2768 CarbonylContact O-C 3.51Å; I2762-V2768 VanDerWaalsContact O-CA 3.29Å; I2762-V2768 WeakPolarHBondContact O-CA 3.31Å |
| 2769 | A | 90.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 145 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F2730 E2731 L2761 I2762 Y2767 | F2730-A2769 CarbonylContact O-C 3.55Å; F2730-A2769 WeakPolarHBondContact O-CA 3.39Å; F2730-A2769 VanDerWaalsContact O-CB 3.28Å; F2730-A2769 WeakPolarHBondContact O-CB 3.42Å; E2731-A2769 HydrophobicContact CB-CB 3.98Å; L2761-A2769 CarbonylContact C-O 3.46Å; I2762-A2769 HydrophobicContact CB-CB 4.25Å; I2762-A2769 HydrophobicContact CD1-CB 4.44Å; I2762-A2769 PolarHBondContact N-O 3Å; I2762-A2769 PolarHBondContact O-N 3.11Å; Y2767-A2769 HydrophobicContact CE1-CB 3.75Å; Y2767-A2769 WeakPolarHBondContact OH-CB 3.26Å |
| 2770 | L | 91.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 117.1 | 166.1 | 179.8 | 67.8 | 0 | 0 | 0 | 108.1 | R2729 F2730 W2746 V2753 L2755 F2759 L2772 Y2783 | R2729-L2770 WeakPolarHBondContact CA-O 3.42Å; F2730-L2770 HydrophobicContact CB-CB 4.48Å; F2730-L2770 PolarHBondContact N-O 3.06Å; F2730-L2770 PolarHBondContact O-N 2.82Å; W2746-L2770 HydrophobicContact CB-CD2 4.38Å; W2746-L2770 HydrophobicContact CD2-CB 3.68Å; W2746-L2770 HydrophobicContact CD2-CD2 3.9Å; W2746-L2770 HydrophobicContact CD2-CG 4.29Å; W2746-L2770 HydrophobicContact CE3-CB 3.71Å; W2746-L2770 HydrophobicContact CE3-CD2 3.53Å; W2746-L2770 HydrophobicContact CE3-CG 4.24Å; W2746-L2770 HydrophobicContact CG-CB 4.35Å; W2746-L2770 HydrophobicContact CG-CD1 4.39Å; W2746-L2770 HydrophobicContact CG-CD2 4.29Å; W2746-L2770 HydrophobicContact CH2-CB 3.67Å; W2746-L2770 HydrophobicContact CZ2-CB 3.65Å; W2746-L2770 HydrophobicContact CZ3-CB 3.71Å; W2746-L2770 HydrophobicContact CZ3-CD2 4.04Å; W2746-L2770 HydrophobicContact CZ3-CG 4.46Å; V2753-L2770 HydrophobicContact CG1-CD1 4.37Å; V2753-L2770 HydrophobicContact CG1-CD2 4.4Å; V2753-L2770 HydrophobicContact CG2-CD2 4.24Å; L2755-L2770 HydrophobicContact CD2-CD1 4.2Å; F2759-L2770 HydrophobicContact CB-CD1 4.26Å; F2759-L2770 HydrophobicContact CD1-CD1 4.35Å; F2759-L2770 HydrophobicContact CD1-CD2 4.48Å; L2770-L2772 HydrophobicContact CD2-CD1 4.17Å; L2770-L2772 HydrophobicContact CG-CD1 4.05Å; L2770-Y2783 HydrophobicContact CD2-CD1 3.59Å; L2770-Y2783 VanDerWaalsContact CD2-CD1 3.45Å; L2770-Y2783 HydrophobicContact CD2-CE1 3.82Å |
| 2771 | V | 89.1 | Confident | 84 | Confident | 14 Ų | 14 | 26.2 Ų | 26.2 | 9% | 0.085 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 117.6 | 179.9 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | L2727 C2728 R2729 R2758 K2760 I2762 L2773 | L2727-V2771 HydrophobicContact CD1-CG1 4.19Å; L2727-V2771 HydrophobicContact CD2-CG1 4.29Å; L2727-V2771 HydrophobicContact CG-CG1 4.23Å; C2728-V2771 CarbonylContact O-C 3.56Å; C2728-V2771 WeakPolarHBondContact O-CA 3.22Å; R2729-V2771 HydrophobicContact CG-CG2 4.07Å; R2758-V2771 VanDerWaalsContact O-O 3.09Å; K2760-V2771 HydrophobicContact CB-CB 4.3Å; K2760-V2771 PolarHBondContact N-O 3.06Å; K2760-V2771 PolarHBondContact O-N 3.11Å; I2762-V2771 HydrophobicContact CD1-CG2 4.09Å; V2771-L2773 HydrophobicContact CG1-CD2 4.43Å |
| 2772 | L | 88.7 | Confident | 84.3 | Confident | 0.5 Ų | 0.5 | 26.2 Ų | 26.2 | 0% | 0.003 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 112 | 167 | -74.7 | 70.5 | 0 | 0 | 0 | 107.1 | L2727 C2728 F2730 R2758 F2759 L2770 Y2774 D2779 Y2783 L2800 | L2727-L2772 CarbonylContact C-O 3.59Å; L2727-L2772 WeakPolarHBondContact CA-O 3.35Å; C2728-L2772 HydrophobicContact CB-CB 4.09Å; C2728-L2772 HydrophobicContact CB-CD2 4.46Å; C2728-L2772 PolarHBondContact N-O 3.07Å; C2728-L2772 PolarHBondContact O-N 3.14Å; C2728-L2772 VanDerWaalsContact O-O 3.11Å; F2730-L2772 HydrophobicContact CD2-CD1 4.26Å; F2730-L2772 HydrophobicContact CE2-CD1 4.27Å; R2758-L2772 WeakPolarHBondContact O-CA 3.2Å; F2759-L2772 HydrophobicContact CD1-CD1 3.85Å; F2759-L2772 HydrophobicContact CD1-CD2 4.35Å; F2759-L2772 HydrophobicContact CD1-CG 3.68Å; F2759-L2772 HydrophobicContact CE1-CD1 3.93Å; F2759-L2772 HydrophobicContact CE1-CD2 3.74Å; F2759-L2772 HydrophobicContact CE1-CG 3.53Å; F2759-L2772 VanDerWaalsContact CE1-CG 3.49Å; F2759-L2772 HydrophobicContact CZ-CD2 4.42Å; F2759-L2772 HydrophobicContact CZ-CG 4.48Å; L2770-L2772 HydrophobicContact CD2-CD1 4.17Å; L2770-L2772 HydrophobicContact CG-CD1 4.05Å; L2772-Y2774 VanDerWaalsContact C-N 3.27Å; L2772-Y2774 PolarHBondContact O-N 3.15Å; L2772-Y2774 VanDerWaalsContact O-N 3.11Å; L2772-D2779 HydrophobicContact CD2-CB 4.01Å; L2772-Y2783 HydrophobicContact CD1-CE1 4.41Å; L2772-L2800 HydrophobicContact CD2-CD2 3.62Å; L2772-L2800 VanDerWaalsContact CD2-CD2 3.47Å |
| 2773 | L | 79.9 | Confident | 84.8 | Confident | 62.75 Ų | 62.75 | 24.3 Ų | 24.3 | 33% | 0.329 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -60.2 | -30.7 | -178.1 | -67.2 | -178.4 | 0 | 0 | 0 | 113 | L2727 H2757 R2758 K2760 V2771 | L2727-L2773 HydrophobicContact CD1-CD2 4.38Å; H2757-L2773 WeakPolarHBondContact O-CD1 3.38Å; R2758-L2773 PolarHBondContact O-N 2.96Å; K2760-L2773 HydrophobicContact CD-CD1 4.42Å; K2760-L2773 HydrophobicContact CD-CD2 4.11Å; K2760-L2773 HydrophobicContact CD-CG 4.39Å; K2760-L2773 HydrophobicContact CG-CD1 4.45Å; K2760-L2773 HydrophobicContact CG-CG 4.41Å; V2771-L2773 HydrophobicContact CG1-CD2 4.43Å |
| 2774 | Y | 80.4 | Confident | 85.2 | Confident | 30 Ų | 30 | 21.2 Ų | 21.2 | 12% | 0.118 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -154.1 | 129.9 | 171 | 47.2 | -89.1 | 0 | 0 | 0 | 108.8 | G2725 D2726 R2758 L2772 I2856 M2905 Y2907 | G2725-Y2774 VanDerWaalsContact O-CB 3.24Å; G2725-Y2774 WeakPolarHBondContact O-CB 3.33Å; D2726-Y2774 CarbonylContact O-C 3.53Å; D2726-Y2774 VanDerWaalsContact O-CA 3.3Å; D2726-Y2774 WeakPolarHBondContact O-CA 3.34Å; R2758-Y2774 WeakPolarHBondContact CD-OH 3.38Å; R2758-Y2774 HydrophobicContact CG-CD2 4.35Å; R2758-Y2774 HydrophobicContact CG-CE1 4.09Å; R2758-Y2774 HydrophobicContact CG-CE2 3.79Å; R2758-Y2774 VanDerWaalsContact CG-CZ 3.47Å; R2758-Y2774 VanDerWaalsContact CG-OH 3.23Å; R2758-Y2774 WeakPolarHBondContact CG-OH 3.4Å; R2758-Y2774 PolarHBondContact NH1-O 3.31Å; R2758-Y2774 VanDerWaalsContact NH1-O 3.1Å; L2772-Y2774 VanDerWaalsContact C-N 3.27Å; L2772-Y2774 PolarHBondContact O-N 3.15Å; L2772-Y2774 VanDerWaalsContact O-N 3.11Å; Y2774-I2856 HydrophobicContact CD2-CD1 3.96Å; Y2774-I2856 HydrophobicContact CE2-CD1 4.17Å; Y2774-I2856 HydrophobicContact CG-CD1 3.91Å; Y2774-M2905 HydrophobicContact CD2-CG 4.33Å; Y2774-M2905 HydrophobicContact CD2-SD 4.11Å; Y2774-M2905 HydrophobicContact CE2-CB 4.47Å; Y2774-M2905 HydrophobicContact CE2-CE 4.18Å; Y2774-M2905 HydrophobicContact CE2-CG 3.51Å; Y2774-M2905 HydrophobicContact CE2-SD 3.65Å; Y2774-M2905 WeakPolarHBondContact CE2-SD 3.46Å; Y2774-M2905 WeakPolarHBondContact OH-CE 3.38Å; Y2774-M2905 WeakPolarHBondContact OH-CG 3.39Å; Y2774-Y2907 PolarHBondContact OH-OH 3.07Å |
| 2775 | A | 82.8 | Confident | 86 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -87.4 | 139.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V2722 E2724 G2725 D2726 C2728 D2779 L2800 C2802 | V2722-A2775 HydrophobicContact CG2-CB 3.54Å; V2722-A2775 VanDerWaalsContact CG2-CB 3.47Å; E2724-A2775 CarbonylContact C-O 3.43Å; E2724-A2775 WeakPolarHBondContact CA-O 3.28Å; G2725-A2775 PolarHBondContact N-O 3.11Å; D2726-A2775 PolarHBondContact O-N 2.95Å; C2728-A2775 HydrophobicContact CB-CB 4.38Å; A2775-D2779 WeakPolarHBondContact CA-OD2 3.17Å; A2775-L2800 HydrophobicContact CB-CD2 4.48Å; A2775-C2802 HydrophobicContact CB-CB 4.27Å; A2775-C2802 PolarHBondContact O-SG 2.96Å | ||
| 2776 | L | 80.4 | Confident | 86.7 | Confident | 11.75 Ų | 11.75 | 18.8 Ų | 18.8 | 6% | 0.062 | 11% | 0.112 | C | C | . | . | trans | -113.2 | 156.5 | 172.7 | -60.7 | 176.3 | 0 | 0 | 0 | 109.8 | E2724 V2778 D2779 C2802 I2856 A2874 G2904 M2905 | E2724-L2776 HydrophobicContact CG-CD2 4.29Å; E2724-L2776 WeakPolarHBondContact OE1-CD2 3.37Å; L2776-V2778 HydrophobicContact CB-CG1 3.96Å; L2776-V2778 HydrophobicContact CD1-CG1 4.48Å; L2776-V2778 PolarHBondContact O-N 3.15Å; L2776-V2778 VanDerWaalsContact O-N 3.11Å; L2776-D2779 WeakPolarHBondContact CB-OD2 3.39Å; L2776-D2779 PolarHBondContact N-OD2 2.77Å; L2776-D2779 WeakPolarHBondContact O-CA 3.36Å; L2776-D2779 VanDerWaalsContact O-CB 3.26Å; L2776-D2779 WeakPolarHBondContact O-CB 3.29Å; L2776-D2779 PolarHBondContact O-N 3.16Å; L2776-C2802 VanDerWaalsContact O-CB 3.3Å; L2776-C2802 WeakPolarHBondContact O-CB 3.18Å; L2776-I2856 HydrophobicContact CD2-CD1 4.26Å; L2776-A2874 HydrophobicContact CD1-CB 4.22Å; L2776-A2874 HydrophobicContact CD2-CB 3.65Å; L2776-A2874 HydrophobicContact CG-CB 4.24Å; L2776-G2904 WeakPolarHBondContact CD1-O 3.38Å; L2776-M2905 HydrophobicContact CD1-CG 4.17Å; L2776-M2905 HydrophobicContact CD1-SD 4.21Å; L2776-M2905 HydrophobicContact CD2-SD 4.49Å | ||
| 2777 | P | 78.3 | Confident | 87.2 | Confident | 35.75 Ų | 35.75 | 18.5 Ų | 18.5 | 23% | 0.232 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -52.3 | -35.6 | 176.9 | -30.5 | 37 | 0 | 0 | 0 | 113.7 | E2724 D2779 S2780 P2804 V2876 | E2724-P2777 HydrophobicContact CB-CG 4.45Å; E2724-P2777 HydrophobicContact CG-CG 4.45Å; E2724-P2777 VanDerWaalsContact OE1-CD 3.26Å; E2724-P2777 WeakPolarHBondContact OE1-CD 3.43Å; P2777-D2779 VanDerWaalsContact C-N 3.28Å; P2777-D2779 PolarHBondContact O-N 2.85Å; P2777-S2780 VanDerWaalsContact O-CB 3.27Å; P2777-S2780 WeakPolarHBondContact O-CB 3.34Å; P2777-S2780 PolarHBondContact O-N 3.08Å; P2777-S2780 VanDerWaalsContact O-N 3.14Å; P2777-S2780 PolarHBondContact O-OG 2.82Å; P2777-P2804 HydrophobicContact CG-CB 4.03Å; P2777-V2876 HydrophobicContact CB-CG1 4.02Å; P2777-V2876 HydrophobicContact CB-CG2 4.18Å; P2777-V2876 VanDerWaalsContact CD-CG2 3.45Å; P2777-V2876 HydrophobicContact CG-CB 4.46Å; P2777-V2876 HydrophobicContact CG-CG1 4Å; P2777-V2876 HydrophobicContact CG-CG2 3.63Å |
| 2778 | V | 79 | Confident | 87.3 | Confident | 86.25 Ų | 86.25 | 20.8 Ų | 20.8 | 52% | 0.523 | 12% | 0.123 | S | C | . | . | G | 310 helix | trans | -67.3 | -21.5 | 176.1 | 68.8 | 0 | 0 | 0 | 0 | 113.9 | L2776 S2780 L2880 | L2776-V2778 HydrophobicContact CB-CG1 3.96Å; L2776-V2778 HydrophobicContact CD1-CG1 4.48Å; L2776-V2778 PolarHBondContact O-N 3.15Å; L2776-V2778 VanDerWaalsContact O-N 3.11Å; V2778-S2780 PolarHBondContact O-N 2.89Å; V2778-L2880 HydrophobicContact CG2-CD2 4.47Å |
| 2779 | D | 85.3 | Confident | 87.2 | Confident | 8 Ų | 8 | 21.4 Ų | 21.4 | 4% | 0.043 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -76.2 | -9 | 176 | -59.1 | -34.1 | 0 | 0 | 0 | 111.9 | H2748 R2758 L2772 A2775 L2776 P2777 Y2783 L2800 | H2748-D2779 VanDerWaalsContact CE1-C 3.49Å; H2748-D2779 PolarHBondContact CE1-O 3.16Å; H2748-D2779 PolarHBondContact ND1-O 2.91Å; H2748-D2779 PolarHBondContact NE2-O 2.9Å; R2758-D2779 IonicContact CZ-OD1 3.28Å; R2758-D2779 IonicContact CZ-OD2 3.05Å; R2758-D2779 IonicContact NH1-OD1 3.5Å; R2758-D2779 PolarHBondContact NH1-OD1 3.21Å; R2758-D2779 IonicContact NH1-OD2 3.08Å; R2758-D2779 PolarHBondContact NH1-OD2 3.12Å; R2758-D2779 IonicContact NH2-OD1 3.47Å; R2758-D2779 PolarHBondContact NH2-OD1 3.07Å; R2758-D2779 IonicContact NH2-OD2 3.37Å; R2758-D2779 PolarHBondContact NH2-OD2 3.03Å; L2772-D2779 HydrophobicContact CD2-CB 4.01Å; A2775-D2779 WeakPolarHBondContact CA-OD2 3.17Å; L2776-D2779 WeakPolarHBondContact CB-OD2 3.39Å; L2776-D2779 PolarHBondContact N-OD2 2.77Å; L2776-D2779 WeakPolarHBondContact O-CA 3.36Å; L2776-D2779 VanDerWaalsContact O-CB 3.26Å; L2776-D2779 WeakPolarHBondContact O-CB 3.29Å; L2776-D2779 PolarHBondContact O-N 3.16Å; P2777-D2779 VanDerWaalsContact C-N 3.28Å; P2777-D2779 PolarHBondContact O-N 2.85Å; D2779-Y2783 VanDerWaalsContact O-CE2 3.26Å; D2779-Y2783 WeakPolarHBondContact O-CE2 3.41Å; D2779-Y2783 PolarHBondContact O-OH 3.1Å; D2779-Y2783 VanDerWaalsContact O-OH 3.04Å; D2779-L2800 HydrophobicContact CB-CD2 3.99Å; D2779-L2800 WeakPolarHBondContact O-CD2 3.5Å |
| 2780 | S | 86.6 | Confident | 86.8 | Confident | 36.5 Ų | 36.5 | 28.5 Ų | 28.5 | 26% | 0.255 | 16% | 0.157 | S | C | . | . | trans | -62.3 | 145.5 | 177.4 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | H2748 N2749 P2777 V2778 L2800 C2802 | H2748-S2780 PolarHBondContact CE1-O 2.73Å; H2748-S2780 PolarHBondContact NE2-O 2.72Å; N2749-S2780 PolarHBondContact ND2-O 3.02Å; P2777-S2780 VanDerWaalsContact O-CB 3.27Å; P2777-S2780 WeakPolarHBondContact O-CB 3.34Å; P2777-S2780 PolarHBondContact O-N 3.08Å; P2777-S2780 VanDerWaalsContact O-N 3.14Å; P2777-S2780 PolarHBondContact O-OG 2.82Å; V2778-S2780 PolarHBondContact O-N 2.89Å; S2780-L2800 CarbonylContact C-O 3.55Å; S2780-L2800 VanDerWaalsContact CA-O 3.26Å; S2780-L2800 WeakPolarHBondContact CA-O 3.39Å; S2780-L2800 WeakPolarHBondContact CB-O 3.19Å; S2780-C2802 WeakPolarHBondContact OG-CB 3.47Å; S2780-C2802 PolarHBondContact OG-N 3.14Å | ||
| 2781 | G | 88.3 | Confident | 86.6 | Confident | 20 Ų | 20 | 32.4 Ų | 32.4 | 21% | 0.206 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133 | -170.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N2749 Y2783 D2799 L2800 | N2749-G2781 WeakPolarHBondContact OD1-CA 3.07Å; G2781-Y2783 PolarHBondContact O-N 2.77Å; G2781-D2799 CarbonylContact O-C 3.44Å; G2781-D2799 WeakPolarHBondContact O-CA 3.39Å; G2781-L2800 PolarHBondContact N-O 2.94Å; G2781-L2800 PolarHBondContact O-N 3.01Å |
| 2782 | Q | 91.6 | Very high | 86.4 | Confident | 59.25 Ų | 59.25 | 32.9 Ų | 32.9 | 28% | 0.277 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 114.3 | -171.6 | -177.1 | 168.9 | 88.9 | 0 | 0 | 111.3 | H2748 N2749 Q2797 A2798 D2799 | H2748-Q2782 CarbonylContact C-O 3.54Å; H2748-Q2782 WeakPolarHBondContact CA-O 3.24Å; N2749-Q2782 PolarHBondContact N-O 2.96Å; N2749-Q2782 PolarHBondContact OD1-N 2.78Å; Q2782-Q2797 HydrophobicContact CG-CB 4.27Å; Q2782-A2798 CarbonylContact C-O 3.6Å; Q2782-D2799 WeakPolarHBondContact CA-OD1 3.37Å; Q2782-D2799 VanDerWaalsContact CB-OD1 3.31Å; Q2782-D2799 WeakPolarHBondContact CB-OD1 3.09Å; Q2782-D2799 WeakPolarHBondContact CG-OD1 2.88Å; Q2782-D2799 PolarHBondContact NE2-OD1 2.96Å |
| 2783 | Y | 93.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 137.9 | 169.2 | -72.6 | -97.7 | 0 | 0 | 0 | 110.2 | F2730 Y2747 H2748 V2753 F2759 L2770 L2772 D2779 G2781 Q2797 A2798 L2800 | F2730-Y2783 HydrophobicContact CD2-CD1 4.37Å; F2730-Y2783 HydrophobicContact CD2-CD2 4.39Å; F2730-Y2783 HydrophobicContact CD2-CG 4.11Å; F2730-Y2783 AromaticContact CE2-CD1 3.97Å; F2730-Y2783 HydrophobicContact CE2-CD1 4.14Å; F2730-Y2783 AromaticContact CE2-CD2 3.47Å; F2730-Y2783 HydrophobicContact CE2-CD2 3.47Å; F2730-Y2783 VanDerWaalsContact CE2-CD2 3.43Å; F2730-Y2783 HydrophobicContact CE2-CE1 4.41Å; F2730-Y2783 AromaticContact CE2-CE2 3.94Å; F2730-Y2783 HydrophobicContact CE2-CE2 3.99Å; F2730-Y2783 AromaticContact CE2-CG 3.57Å; F2730-Y2783 HydrophobicContact CE2-CG 3.57Å; F2730-Y2783 VanDerWaalsContact CE2-CG 3.44Å; F2730-Y2783 AromaticContact CZ-CD2 3.78Å; F2730-Y2783 HydrophobicContact CZ-CD2 3.78Å; F2730-Y2783 HydrophobicContact CZ-CE2 4.43Å; F2730-Y2783 AromaticContact CZ-CG 3.96Å; F2730-Y2783 HydrophobicContact CZ-CG 4.14Å; Y2747-Y2783 CarbonylContact O-C 3.57Å; Y2747-Y2783 VanDerWaalsContact O-CA 3.25Å; Y2747-Y2783 WeakPolarHBondContact O-CA 3.37Å; H2748-Y2783 HydrophobicContact CB-CD1 4.1Å; H2748-Y2783 HydrophobicContact CB-CE1 3.78Å; H2748-Y2783 AromaticContact CD2-CD2 3.89Å; H2748-Y2783 AromaticContact CD2-CE1 3.95Å; H2748-Y2783 AromaticContact CD2-CE2 3.33Å; H2748-Y2783 WeakPolarHBondContact CD2-CE2 3.3Å; H2748-Y2783 AromaticContact CD2-CZ 3.36Å; H2748-Y2783 AromaticContact CE1-CE2 3.84Å; H2748-Y2783 AromaticContact CE1-CZ 3.96Å; H2748-Y2783 AromaticContact CG-CZ 3.82Å; H2748-Y2783 AromaticContact ND1-CD2 3.77Å; H2748-Y2783 AromaticContact ND1-CE1 3.67Å; H2748-Y2783 AromaticContact ND1-CE2 3.09Å; H2748-Y2783 WeakPolarHBondContact ND1-CE2 3.3Å; H2748-Y2783 AromaticContact ND1-CZ 3.05Å; H2748-Y2783 PolarHBondContact ND1-OH 3Å; H2748-Y2783 VanDerWaalsContact ND1-OH 3.16Å; H2748-Y2783 AromaticContact NE2-CE2 3.87Å; H2748-Y2783 AromaticContact NE2-CZ 3.96Å; V2753-Y2783 HydrophobicContact CG2-CD1 4.18Å; V2753-Y2783 HydrophobicContact CG2-CE1 4.12Å; F2759-Y2783 HydrophobicContact CE1-CE1 4.19Å; L2770-Y2783 HydrophobicContact CD2-CD1 3.59Å; L2770-Y2783 VanDerWaalsContact CD2-CD1 3.45Å; L2770-Y2783 HydrophobicContact CD2-CE1 3.82Å; L2772-Y2783 HydrophobicContact CD1-CE1 4.41Å; D2779-Y2783 VanDerWaalsContact O-CE2 3.26Å; D2779-Y2783 WeakPolarHBondContact O-CE2 3.41Å; D2779-Y2783 PolarHBondContact O-OH 3.1Å; D2779-Y2783 VanDerWaalsContact O-OH 3.04Å; G2781-Y2783 PolarHBondContact O-N 2.77Å; Y2783-Q2797 CarbonylContact O-C 3.49Å; Y2783-Q2797 VanDerWaalsContact O-CA 3.25Å; Y2783-Q2797 WeakPolarHBondContact O-CA 3.22Å; Y2783-A2798 WeakPolarHBondContact CA-O 3.34Å; Y2783-A2798 PolarHBondContact N-O 3.04Å; Y2783-A2798 PolarHBondContact O-N 3.2Å; Y2783-L2800 HydrophobicContact CD2-CB 3.91Å; Y2783-L2800 HydrophobicContact CE2-CB 3.59Å; Y2783-L2800 VanDerWaalsContact CE2-CB 3.48Å; Y2783-L2800 HydrophobicContact CE2-CD2 3.81Å; Y2783-L2800 HydrophobicContact CE2-CG 4.36Å |
| 2784 | S | 91.9 | Very high | 87.1 | Confident | 7.5 Ų | 7.5 | 36.8 Ų | 36.8 | 5% | 0.052 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 121.8 | 178.1 | -51.5 | 0 | 0 | 0 | 0 | 110.1 | W2746 Y2747 L2796 Q2797 | W2746-S2784 CarbonylContact C-O 3.55Å; W2746-S2784 WeakPolarHBondContact CA-O 3.43Å; Y2747-S2784 PolarHBondContact N-O 3.09Å; Y2747-S2784 PolarHBondContact O-N 3.15Å; S2784-L2796 CarbonylContact C-O 3.54Å; S2784-L2796 VanDerWaalsContact CA-O 3.28Å; S2784-L2796 WeakPolarHBondContact CA-O 3.35Å; S2784-Q2797 WeakPolarHBondContact OG-CG 3.36Å; S2784-Q2797 PolarHBondContact OG-NE2 2.98Å |
| 2785 | C | 92.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 123.6 | 171.5 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | F2713 M2717 V2744 E2745 W2746 V2795 L2796 | F2713-C2785 HydrophobicContact CZ-CB 4.37Å; F2713-C2785 VanDerWaalsContact CZ-SG 3.58Å; M2717-C2785 HydrophobicContact CE-CB 3.55Å; M2717-C2785 VanDerWaalsContact CE-CB 3.49Å; V2744-C2785 VanDerWaalsContact CG1-SG 3.59Å; E2745-C2785 WeakPolarHBondContact O-CA 3.24Å; W2746-C2785 HydrophobicContact CD2-CB 3.94Å; W2746-C2785 HydrophobicContact CE3-CB 4.01Å; W2746-C2785 HydrophobicContact CH2-CB 3.93Å; W2746-C2785 HydrophobicContact CZ2-CB 3.82Å; W2746-C2785 HydrophobicContact CZ3-CB 4.02Å; C2785-V2795 CarbonylContact O-C 3.49Å; C2785-V2795 WeakPolarHBondContact O-CA 3.29Å; C2785-L2796 PolarHBondContact N-O 3.09Å; C2785-L2796 PolarHBondContact O-N 2.99Å |
| 2786 | V | 92.3 | Very high | 88.1 | Confident | 15 Ų | 15 | 40.1 Ų | 40.1 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 117.4 | -176.7 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | V2744 E2745 Y2747 V2788 Q2793 S2794 V2795 | V2744-V2786 CarbonylContact C-O 3.55Å; V2744-V2786 WeakPolarHBondContact CA-O 3.24Å; E2745-V2786 PolarHBondContact N-O 3.02Å; E2745-V2786 PolarHBondContact O-N 3.11Å; Y2747-V2786 HydrophobicContact CD2-CB 4.43Å; Y2747-V2786 HydrophobicContact CD2-CG2 3.72Å; Y2747-V2786 HydrophobicContact CE2-CB 4.11Å; Y2747-V2786 HydrophobicContact CE2-CG2 3.67Å; V2786-V2788 HydrophobicContact CG1-CG2 3.95Å; V2786-Q2793 HydrophobicContact CG1-CG 3.93Å; V2786-Q2793 VanDerWaalsContact CG1-NE2 3.26Å; V2786-S2794 CarbonylContact C-O 3.58Å; V2786-S2794 WeakPolarHBondContact CA-O 3.29Å; V2786-V2795 HydrophobicContact CB-CG2 4.47Å; V2786-V2795 HydrophobicContact CG1-CG2 4.21Å; V2786-V2795 HydrophobicContact CG2-CG1 4.08Å; V2786-V2795 HydrophobicContact CG2-CG2 4.04Å |
| 2787 | A | 91.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 130.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | P2711 F2713 L2734 M2742 K2743 V2744 Q2793 S2794 | P2711-A2787 HydrophobicContact CB-CB 3.93Å; P2711-A2787 WeakPolarHBondContact CG-O 3.44Å; F2713-A2787 HydrophobicContact CE1-CB 4.45Å; F2713-A2787 HydrophobicContact CE2-CB 4.21Å; F2713-A2787 HydrophobicContact CZ-CB 3.76Å; L2734-A2787 HydrophobicContact CD1-CB 3.69Å; L2734-A2787 HydrophobicContact CD2-CB 3.64Å; L2734-A2787 HydrophobicContact CG-CB 4.27Å; M2742-A2787 HydrophobicContact SD-CB 4.25Å; K2743-A2787 CarbonylContact O-C 3.54Å; K2743-A2787 VanDerWaalsContact O-CA 3.29Å; K2743-A2787 WeakPolarHBondContact O-CA 3.33Å; V2744-A2787 HydrophobicContact CG2-CB 4.3Å; A2787-Q2793 CarbonylContact O-C 3.53Å; A2787-Q2793 VanDerWaalsContact O-CA 3.26Å; A2787-Q2793 WeakPolarHBondContact O-CA 3.39Å; A2787-S2794 PolarHBondContact N-O 3.12Å; A2787-S2794 PolarHBondContact O-N 2.99Å |
| 2788 | V | 90.2 | Very high | 89.3 | Confident | 49.25 Ų | 49.25 | 42.9 Ų | 42.9 | 30% | 0.298 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 134.9 | -176.6 | -173.3 | 0 | 0 | 0 | 0 | 109.6 | M2742 K2743 V2786 G2792 Q2793 | M2742-V2788 CarbonylContact C-O 3.44Å; M2742-V2788 WeakPolarHBondContact CA-O 3.38Å; K2743-V2788 PolarHBondContact N-O 3.06Å; K2743-V2788 PolarHBondContact O-N 3.02Å; V2786-V2788 HydrophobicContact CG1-CG2 3.95Å; V2788-G2792 WeakPolarHBondContact CA-O 3.37Å; V2788-Q2793 HydrophobicContact CB-CB 4.43Å; V2788-Q2793 HydrophobicContact CG1-CB 4.38Å; V2788-Q2793 HydrophobicContact CG2-CB 4.07Å; V2788-Q2793 HydrophobicContact CG2-CG 3.95Å |
| 2789 | N | 87.1 | Confident | 89.9 | Confident | 12.75 Ų | 12.75 | 42.8 Ų | 42.8 | 7% | 0.068 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | -174.4 | 165.5 | 77.1 | 2.6 | 0 | 0 | 0 | 110.9 | Q2709 P2711 D2739 N2741 M2742 Y2791 G2792 | Q2709-N2789 PolarHBondContact O-ND2 2.88Å; P2711-N2789 VanDerWaalsContact CD-CG 3.41Å; P2711-N2789 VanDerWaalsContact CD-OD1 3.28Å; P2711-N2789 WeakPolarHBondContact CD-OD1 3.41Å; P2711-N2789 HydrophobicContact CG-CB 4.02Å; D2739-N2789 WeakPolarHBondContact OD2-CB 3.32Å; D2739-N2789 PolarHBondContact OD2-ND2 3Å; N2741-N2789 HydrophobicContact CB-CB 4.49Å; N2741-N2789 WeakPolarHBondContact O-CA 3.41Å; M2742-N2789 HydrophobicContact CE-CB 4.21Å; M2742-N2789 HydrophobicContact SD-CB 4.22Å; N2789-Y2791 PolarHBondContact O-N 2.81Å; N2789-Y2791 VanDerWaalsContact O-N 3.12Å; N2789-Y2791 WeakPolarHBondContact OD1-CA 3.31Å; N2789-Y2791 PolarHBondContact OD1-N 2.89Å; N2789-G2792 PolarHBondContact N-O 2.88Å; N2789-G2792 PolarHBondContact O-N 3.04Å; N2789-G2792 PolarHBondContact OD1-N 2.97Å; N2789-G2792 VanDerWaalsContact OD1-N 3.13Å; N2789-G2792 PolarHBondContact OD1-O 3Å |
| 2790 | K | 82 | Confident | 90.2 | Very high | 149.75 Ų | 149.75 | 42.5 Ų | 42.5 | 65% | 0.651 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -19 | 179 | -76.4 | 176.3 | 173.4 | 159.2 | 0 | 114.8 | N2741 | N2741-K2790 HydrophobicContact CB-CD 4.09Å; N2741-K2790 HydrophobicContact CB-CG 3.91Å; N2741-K2790 VanDerWaalsContact CG-CD 3.48Å; N2741-K2790 VanDerWaalsContact CG-CE 3.45Å; N2741-K2790 VanDerWaalsContact OD1-CD 3.31Å; N2741-K2790 WeakPolarHBondContact OD1-CD 3.36Å; N2741-K2790 WeakPolarHBondContact OD1-CE 3.42Å; N2741-K2790 PolarHBondContact OD1-NZ 2.95Å |
| 2791 | Y | 86.9 | Confident | 90.4 | Very high | 82 Ų | 82 | 44.5 Ų | 44.5 | 32% | 0.322 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -6.3 | -173 | -54 | -66.5 | 0 | 0 | 0 | 113.9 | M2708 Q2709 N2789 | M2708-Y2791 HydrophobicContact CB-CD1 3.86Å; M2708-Y2791 HydrophobicContact CB-CE1 4.03Å; M2708-Y2791 HydrophobicContact CB-CG 4.28Å; M2708-Y2791 HydrophobicContact CG-CD1 3.91Å; M2708-Y2791 HydrophobicContact CG-CE1 3.68Å; Q2709-Y2791 WeakPolarHBondContact O-CD2 3.35Å; N2789-Y2791 PolarHBondContact O-N 2.81Å; N2789-Y2791 VanDerWaalsContact O-N 3.12Å; N2789-Y2791 WeakPolarHBondContact OD1-CA 3.31Å; N2789-Y2791 PolarHBondContact OD1-N 2.89Å |
| 2792 | G | 86 | Confident | 90.2 | Very high | 24 Ų | 24 | 43.8 Ų | 43.8 | 25% | 0.247 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.3 | -169.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | P2711 V2788 N2789 | P2711-G2792 VanDerWaalsContact CD-O 3.3Å; P2711-G2792 WeakPolarHBondContact CD-O 3.3Å; P2711-G2792 WeakPolarHBondContact CG-O 3.37Å; V2788-G2792 WeakPolarHBondContact CA-O 3.37Å; N2789-G2792 PolarHBondContact N-O 2.88Å; N2789-G2792 PolarHBondContact O-N 3.04Å; N2789-G2792 PolarHBondContact OD1-N 2.97Å; N2789-G2792 VanDerWaalsContact OD1-N 3.13Å; N2789-G2792 PolarHBondContact OD1-O 3Å |
| 2793 | Q | 91.3 | Very high | 89.4 | Confident | 120.25 Ų | 120.25 | 42.7 Ų | 42.7 | 56% | 0.562 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130 | 151.1 | 177.4 | 124 | 179.3 | 7.2 | 0 | 0 | 110.6 | V2786 A2787 V2788 V2795 | V2786-Q2793 HydrophobicContact CG1-CG 3.93Å; V2786-Q2793 VanDerWaalsContact CG1-NE2 3.26Å; A2787-Q2793 CarbonylContact O-C 3.53Å; A2787-Q2793 VanDerWaalsContact O-CA 3.26Å; A2787-Q2793 WeakPolarHBondContact O-CA 3.39Å; V2788-Q2793 HydrophobicContact CB-CB 4.43Å; V2788-Q2793 HydrophobicContact CG1-CB 4.38Å; V2788-Q2793 HydrophobicContact CG2-CB 4.07Å; V2788-Q2793 HydrophobicContact CG2-CG 3.95Å; Q2793-V2795 HydrophobicContact CG-CG2 4.17Å |
| 2794 | S | 91.5 | Very high | 88 | Confident | 25.75 Ų | 25.75 | 46.2 Ų | 46.2 | 18% | 0.18 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 146 | 170.3 | -167.7 | 0 | 0 | 0 | 0 | 109.5 | P2711 F2713 V2786 A2787 | P2711-S2794 VanDerWaalsContact O-CB 3.29Å; P2711-S2794 WeakPolarHBondContact O-CB 3.25Å; F2713-S2794 WeakPolarHBondContact CD2-OG 3.38Å; F2713-S2794 WeakPolarHBondContact CE2-OG 3.42Å; V2786-S2794 CarbonylContact C-O 3.58Å; V2786-S2794 WeakPolarHBondContact CA-O 3.29Å; A2787-S2794 PolarHBondContact N-O 3.12Å; A2787-S2794 PolarHBondContact O-N 2.99Å |
| 2795 | V | 92.5 | Very high | 86.4 | Confident | 67.75 Ų | 67.75 | 53.2 Ų | 53.2 | 41% | 0.411 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 133.7 | -177.7 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | C2785 V2786 Q2793 Q2797 | C2785-V2795 CarbonylContact O-C 3.49Å; C2785-V2795 WeakPolarHBondContact O-CA 3.29Å; V2786-V2795 HydrophobicContact CB-CG2 4.47Å; V2786-V2795 HydrophobicContact CG1-CG2 4.21Å; V2786-V2795 HydrophobicContact CG2-CG1 4.08Å; V2786-V2795 HydrophobicContact CG2-CG2 4.04Å; Q2793-V2795 HydrophobicContact CG-CG2 4.17Å; V2795-Q2797 HydrophobicContact CG1-CG 4.2Å |
| 2796 | L | 91.7 | Very high | 84.2 | Confident | 31 Ų | 31 | 62.3 Ų | 62.3 | 16% | 0.162 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.4 | 174 | -149 | 87.9 | 0 | 0 | 0 | 109 | F2713 T2715 M2717 C2732 S2784 C2785 | F2713-L2796 HydrophobicContact CB-CD1 4Å; F2713-L2796 VanDerWaalsContact CB-CD1 3.44Å; F2713-L2796 HydrophobicContact CB-CD2 4.17Å; F2713-L2796 HydrophobicContact CB-CG 3.84Å; F2713-L2796 HydrophobicContact CD1-CD1 3.52Å; F2713-L2796 HydrophobicContact CD1-CD2 4.15Å; F2713-L2796 HydrophobicContact CD1-CG 4.23Å; F2713-L2796 HydrophobicContact CD2-CB 3.86Å; F2713-L2796 HydrophobicContact CD2-CD1 4.09Å; F2713-L2796 HydrophobicContact CD2-CD2 4.42Å; F2713-L2796 HydrophobicContact CD2-CG 3.48Å; F2713-L2796 VanDerWaalsContact CD2-CG 3.48Å; F2713-L2796 HydrophobicContact CE1-CD1 4.11Å; F2713-L2796 HydrophobicContact CE2-CB 3.93Å; F2713-L2796 HydrophobicContact CE2-CD1 4.3Å; F2713-L2796 HydrophobicContact CE2-CG 4Å; F2713-L2796 HydrophobicContact CG-CB 4.18Å; F2713-L2796 HydrophobicContact CG-CD1 3.88Å; F2713-L2796 HydrophobicContact CG-CD2 4.02Å; F2713-L2796 HydrophobicContact CG-CG 3.62Å; F2713-L2796 HydrophobicContact CZ-CB 4.33Å; F2713-L2796 HydrophobicContact CZ-CD1 4.47Å; T2715-L2796 WeakPolarHBondContact O-CD1 3.42Å; T2715-L2796 WeakPolarHBondContact O-CD2 3.23Å; M2717-L2796 HydrophobicContact CB-CB 4.41Å; M2717-L2796 HydrophobicContact CB-CD1 4.35Å; M2717-L2796 HydrophobicContact CB-CD2 3.57Å; M2717-L2796 VanDerWaalsContact CB-CD2 3.44Å; M2717-L2796 HydrophobicContact CB-CG 3.76Å; M2717-L2796 HydrophobicContact CE-CB 4.25Å; M2717-L2796 HydrophobicContact CE-CD2 3.95Å; M2717-L2796 HydrophobicContact CE-CG 4.21Å; C2732-L2796 HydrophobicContact CB-CD1 3.7Å; C2732-L2796 HydrophobicContact CB-CD2 3.67Å; S2784-L2796 CarbonylContact C-O 3.54Å; S2784-L2796 VanDerWaalsContact CA-O 3.28Å; S2784-L2796 WeakPolarHBondContact CA-O 3.35Å; C2785-L2796 PolarHBondContact N-O 3.09Å; C2785-L2796 PolarHBondContact O-N 2.99Å |
| 2797 | Q | 92.4 | Very high | 82 | Confident | 99.25 Ų | 99.25 | 70.4 Ų | 70.4 | 46% | 0.464 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 146.9 | -177.6 | -52.1 | -170 | -68.3 | 0 | 0 | 111.4 | Q2782 Y2783 S2784 V2795 | Q2782-Q2797 HydrophobicContact CG-CB 4.27Å; Y2783-Q2797 CarbonylContact O-C 3.49Å; Y2783-Q2797 VanDerWaalsContact O-CA 3.25Å; Y2783-Q2797 WeakPolarHBondContact O-CA 3.22Å; S2784-Q2797 WeakPolarHBondContact OG-CG 3.36Å; S2784-Q2797 PolarHBondContact OG-NE2 2.98Å; V2795-Q2797 HydrophobicContact CG1-CG 4.2Å |
| 2798 | A | 91.7 | Very high | 79.6 | Confident | 7.25 Ų | 7.25 | 75.8 Ų | 75.8 | 6% | 0.06 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 152.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | M2717 G2718 F2730 Q2782 Y2783 | M2717-A2798 HydrophobicContact CB-CB 3.91Å; M2717-A2798 HydrophobicContact CG-CB 3.48Å; M2717-A2798 VanDerWaalsContact CG-CB 3.46Å; M2717-A2798 WeakPolarHBondContact O-CB 3.22Å; M2717-A2798 HydrophobicContact SD-CB 3.62Å; M2717-A2798 VanDerWaalsContact SD-CB 3.57Å; G2718-A2798 WeakPolarHBondContact O-CB 3.42Å; F2730-A2798 HydrophobicContact CD1-CB 4Å; F2730-A2798 HydrophobicContact CE1-CB 3.75Å; Q2782-A2798 CarbonylContact C-O 3.6Å; Y2783-A2798 WeakPolarHBondContact CA-O 3.34Å; Y2783-A2798 PolarHBondContact N-O 3.04Å; Y2783-A2798 PolarHBondContact O-N 3.2Å |
| 2799 | D | 91.5 | Very high | 77 | Confident | 83.5 Ų | 83.5 | 79.5 Ų | 79.5 | 45% | 0.447 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 136.1 | -179 | -58.4 | -38.4 | 0 | 0 | 0 | 111.5 | G2719 V2720 G2781 Q2782 | G2719-D2799 CarbonylContact C-O 3.53Å; G2719-D2799 WeakPolarHBondContact CA-O 3.35Å; V2720-D2799 PolarHBondContact N-O 3.42Å; G2781-D2799 CarbonylContact O-C 3.44Å; G2781-D2799 WeakPolarHBondContact O-CA 3.39Å; Q2782-D2799 WeakPolarHBondContact CA-OD1 3.37Å; Q2782-D2799 VanDerWaalsContact CB-OD1 3.31Å; Q2782-D2799 WeakPolarHBondContact CB-OD1 3.09Å; Q2782-D2799 WeakPolarHBondContact CG-OD1 2.88Å; Q2782-D2799 PolarHBondContact NE2-OD1 2.96Å |
| 2800 | L | 90.8 | Very high | 74.7 | Confident | 1.5 Ų | 1.5 | 84 Ų | 84 | 1% | 0.008 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 131 | 166 | -175.2 | 52.5 | 0 | 0 | 0 | 109.3 | V2720 V2722 C2728 F2730 L2772 A2775 D2779 S2780 G2781 Y2783 | V2720-L2800 HydrophobicContact CB-CD1 4.05Å; V2720-L2800 HydrophobicContact CG1-CD1 4.12Å; V2720-L2800 CarbonylContact O-C 3.5Å; V2720-L2800 WeakPolarHBondContact O-CA 3.39Å; V2720-L2800 WeakPolarHBondContact O-CD1 3.37Å; V2722-L2800 HydrophobicContact CG2-CD1 3.73Å; C2728-L2800 HydrophobicContact CB-CD1 4.18Å; C2728-L2800 HydrophobicContact CB-CD2 4.5Å; C2728-L2800 VanDerWaalsContact SG-CD1 3.53Å; C2728-L2800 WeakPolarHBondContact SG-CD1 3.25Å; F2730-L2800 HydrophobicContact CE2-CB 4.33Å; F2730-L2800 HydrophobicContact CZ-CB 3.89Å; F2730-L2800 HydrophobicContact CZ-CD1 4.23Å; L2772-L2800 HydrophobicContact CD2-CD2 3.62Å; L2772-L2800 VanDerWaalsContact CD2-CD2 3.47Å; A2775-L2800 HydrophobicContact CB-CD2 4.48Å; D2779-L2800 HydrophobicContact CB-CD2 3.99Å; D2779-L2800 WeakPolarHBondContact O-CD2 3.5Å; S2780-L2800 CarbonylContact C-O 3.55Å; S2780-L2800 VanDerWaalsContact CA-O 3.26Å; S2780-L2800 WeakPolarHBondContact CA-O 3.39Å; S2780-L2800 WeakPolarHBondContact CB-O 3.19Å; G2781-L2800 PolarHBondContact N-O 2.94Å; G2781-L2800 PolarHBondContact O-N 3.01Å; Y2783-L2800 HydrophobicContact CD2-CB 3.91Å; Y2783-L2800 HydrophobicContact CE2-CB 3.59Å; Y2783-L2800 VanDerWaalsContact CE2-CB 3.48Å; Y2783-L2800 HydrophobicContact CE2-CD2 3.81Å; Y2783-L2800 HydrophobicContact CE2-CG 4.36Å |
| 2801 | V | 90.1 | Very high | 72.5 | Confident | 78 Ų | 78 | 81.4 Ų | 81.4 | 47% | 0.473 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 106.7 | 169 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | V2720 T2721 V2722 | V2720-V2801 PolarHBondContact O-N 3.14Å; T2721-V2801 VanDerWaalsContact CA-O 3.29Å; T2721-V2801 WeakPolarHBondContact CA-O 3.28Å; T2721-V2801 HydrophobicContact CG2-CB 4.21Å; T2721-V2801 HydrophobicContact CG2-CG1 4.32Å; V2722-V2801 PolarHBondContact N-O 3.33Å |
| 2802 | C | 85.2 | Confident | 70.4 | Confident | 6.33333 Ų | 6.33333 | 82.2 Ų | 82.2 | 4% | 0.043 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 112.4 | 176 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | V2722 E2724 A2775 L2776 S2780 | V2722-C2802 HydrophobicContact CG2-CB 4.22Å; V2722-C2802 CarbonylContact O-C 3.55Å; V2722-C2802 VanDerWaalsContact O-CA 3.25Å; V2722-C2802 WeakPolarHBondContact O-CA 3.33Å; E2724-C2802 VanDerWaalsContact CA-SG 3.57Å; A2775-C2802 HydrophobicContact CB-CB 4.27Å; A2775-C2802 PolarHBondContact O-SG 2.96Å; L2776-C2802 VanDerWaalsContact O-CB 3.3Å; L2776-C2802 WeakPolarHBondContact O-CB 3.18Å; S2780-C2802 WeakPolarHBondContact OG-CB 3.47Å; S2780-C2802 PolarHBondContact OG-N 3.14Å |
| 2803 | A | 75 | Confident | 68.3 | Low | 35.3333 Ų | 35.3333 | 89.4 Ų | 89.4 | 29% | 0.292 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 129.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V2722 D2723 E2724 R2805 | V2722-A2803 PolarHBondContact O-N 3.29Å; D2723-A2803 CarbonylContact C-O 3.56Å; D2723-A2803 WeakPolarHBondContact CA-O 3.42Å; E2724-A2803 WeakPolarHBondContact CB-O 3.46Å; E2724-A2803 PolarHBondContact N-O 2.9Å; A2803-R2805 PolarHBondContact O-N 2.82Å |
| 2804 | P | 63.4 | Low | 66.2 | Low | 74.6667 Ų | 74.6667 | 90.3 Ų | 90.3 | 49% | 0.485 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 137.6 | 176.1 | 26 | -33.2 | 0 | 0 | 0 | 110.7 | E2724 P2777 K2806 | E2724-P2804 WeakPolarHBondContact OE2-CA 3.47Å; P2777-P2804 HydrophobicContact CG-CB 4.03Å; P2804-K2806 PolarHBondContact O-N 2.82Å |
| 2805 | R | 58.2 | Low | 63.5 | Low | 154.667 Ų | 154.667 | 93.7 Ų | 93.7 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 123.2 | 178.5 | -82.4 | -174.6 | 178 | -167.6 | 2.2 | 110 | D2723 E2724 D2726 A2803 H2807 | D2723-R2805 HydrophobicContact CB-CG 4.22Å; E2724-R2805 HydrophobicContact CB-CG 4.24Å; E2724-R2805 VanDerWaalsContact O-CD 3.29Å; E2724-R2805 WeakPolarHBondContact O-CD 3.38Å; E2724-R2805 WeakPolarHBondContact O-CG 3.3Å; E2724-R2805 PolarHBondContact O-NE 3.2Å; E2724-R2805 PolarHBondContact O-NH2 3.45Å; E2724-R2805 PolarHBondContact OE2-N 2.88Å; E2724-R2805 VanDerWaalsContact OE2-N 3.07Å; D2726-R2805 IonicContact OD1-CZ 3.69Å; D2726-R2805 IonicContact OD1-NH2 3.27Å; D2726-R2805 PolarHBondContact OD1-NH2 3.09Å; D2726-R2805 VanDerWaalsContact OD1-NH2 3.16Å; A2803-R2805 PolarHBondContact O-N 2.82Å; R2805-H2807 VanDerWaalsContact C-N 3.27Å; R2805-H2807 PolarHBondContact O-N 3.04Å; R2805-H2807 VanDerWaalsContact O-N 3.08Å |
| 2806 | K | 47.1 | Very low | 60.6 | Low | 191.333 Ų | 191.333 | 100.2 Ų | 100.2 | 83% | 0.832 | 53% | 0.53 | S | S | * | . | trans | -70.3 | 87.6 | -178.2 | -71.4 | -178.1 | 180 | 175.9 | 0 | 112.2 | P2804 | P2804-K2806 PolarHBondContact O-N 2.82Š| ||
| 2807 | H | 46.6 | Very low | 58.3 | Low | 183.667 Ų | 183.667 | 102.5 Ų | 102.5 | 85% | 0.85 | 56% | 0.561 | S | S | * | * | trans | -127.2 | 106.1 | 155.1 | -109.3 | -88.2 | 0 | 0 | 0 | 109.9 | R2805 | R2805-H2807 VanDerWaalsContact C-N 3.27Å; R2805-H2807 PolarHBondContact O-N 3.04Å; R2805-H2807 VanDerWaalsContact O-N 3.08Å | ||
| 2808 | V | 39.7 | Very low | 55.8 | Low | 113.333 Ų | 113.333 | 106.4 Ų | 106.4 | 69% | 0.687 | 58% | 0.576 | S | S | * | * | S | Bend | trans | 117.7 | 119.1 | 178.1 | -172.1 | 0 | 0 | 0 | 0 | 112.4 | T2810 | V2808-T2810 HydrophobicContact CG1-CG2 4.46Å; V2808-T2810 PolarHBondContact O-N 3.22Å |
| 2809 | D | 35.5 | Very low | 53.6 | Low | 126.667 Ų | 126.667 | 109.2 Ų | 109.2 | 68% | 0.677 | 60% | 0.596 | S | S | * | * | trans | -76.8 | 124.9 | 174.1 | -168.3 | -15.7 | 0 | 0 | 0 | 110.4 | T2811 | D2809-T2811 WeakPolarHBondContact OD1-CB 3.38Å; D2809-T2811 WeakPolarHBondContact OD1-CG2 3.32Å; D2809-T2811 PolarHBondContact OD1-N 3.22Å; D2809-T2811 PolarHBondContact OD1-OG1 2.8Å | ||
| 2810 | T | 39.5 | Very low | 51.3 | Low | 107.333 Ų | 107.333 | 111.3 Ų | 111.3 | 66% | 0.658 | 61% | 0.611 | S | S | * | * | trans | -114.9 | 24.4 | -174.7 | 48.7 | 0 | 0 | 0 | 0 | 113.3 | V2808 S2812 | V2808-T2810 HydrophobicContact CG1-CG2 4.46Å; V2808-T2810 PolarHBondContact O-N 3.22Å; T2810-S2812 PolarHBondContact O-N 2.84Å; T2810-S2812 VanDerWaalsContact O-N 3.09Å | ||
| 2811 | T | 35.4 | Very low | 49 | Very low | 96.6667 Ų | 96.6667 | 115.4 Ų | 115.4 | 59% | 0.593 | 64% | 0.639 | S | S | * | * | trans | -60 | 123.5 | 174.3 | 47.8 | 0 | 0 | 0 | 0 | 112.1 | D2809 Q2813 | D2809-T2811 WeakPolarHBondContact OD1-CB 3.38Å; D2809-T2811 WeakPolarHBondContact OD1-CG2 3.32Å; D2809-T2811 PolarHBondContact OD1-N 3.22Å; D2809-T2811 PolarHBondContact OD1-OG1 2.8Å; T2811-Q2813 PolarHBondContact O-N 3.11Å | ||
| 2812 | S | 42.8 | Very low | 46.8 | Very low | 97.6667 Ų | 97.6667 | 118.8 Ų | 118.8 | 68% | 0.683 | 65% | 0.651 | S | S | * | * | trans | -70.2 | 123.3 | -179.2 | -179 | 0 | 0 | 0 | 0 | 111.8 | T2810 I2814 | T2810-S2812 PolarHBondContact O-N 2.84Å; T2810-S2812 VanDerWaalsContact O-N 3.09Å; S2812-I2814 VanDerWaalsContact C-N 3.26Å; S2812-I2814 PolarHBondContact O-N 2.79Å; S2812-I2814 VanDerWaalsContact OG-CD1 3.31Å; S2812-I2814 WeakPolarHBondContact OG-CD1 3.49Å; S2812-I2814 WeakPolarHBondContact OG-CG1 3.08Å | ||
| 2813 | Q | 42.2 | Very low | 45 | Very low | 176 Ų | 176 | 124.9 Ų | 124.9 | 82% | 0.822 | 68% | 0.681 | S | S | * | * | trans | -100.9 | 30.7 | -179.5 | -60.2 | -166.5 | 11 | 0 | 0 | 113.4 | T2811 P2815 | T2811-Q2813 PolarHBondContact O-N 3.11Å; Q2813-P2815 VanDerWaalsContact O-CD 3.26Å; Q2813-P2815 WeakPolarHBondContact O-CD 3.32Å | ||
| 2814 | I | 47.3 | Very low | 43.6 | Very low | 138 Ų | 138 | 126.5 Ų | 126.5 | 71% | 0.708 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 120.6 | 178.3 | -60.9 | 171.6 | 0 | 0 | 0 | 109.9 | S2812 | S2812-I2814 VanDerWaalsContact C-N 3.26Å; S2812-I2814 PolarHBondContact O-N 2.79Å; S2812-I2814 VanDerWaalsContact OG-CD1 3.31Å; S2812-I2814 WeakPolarHBondContact OG-CD1 3.49Å; S2812-I2814 WeakPolarHBondContact OG-CG1 3.08Å |
| 2815 | P | 34.3 | Very low | 42.7 | Very low | 98.6667 Ų | 98.6667 | 126.7 Ų | 126.7 | 64% | 0.641 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 146.3 | 175.6 | -19.2 | 32.7 | 0 | 0 | 0 | 112.6 | Q2813 G2817 D3080 | Q2813-P2815 VanDerWaalsContact O-CD 3.26Å; Q2813-P2815 WeakPolarHBondContact O-CD 3.32Å; P2815-G2817 PolarHBondContact O-N 2.86Å; P2815-D3080 WeakPolarHBondContact CG-O 3.41Å |
| 2816 | Q | 32.8 | Very low | 41.9 | Very low | 203.667 Ų | 203.667 | 125.8 Ų | 125.8 | 95% | 0.952 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -54 | 131 | 175.7 | -67 | 175.3 | -12.5 | 0 | 0 | 111.9 | ||
| 2817 | G | 42.2 | Very low | 41.7 | Very low | 79.6667 Ų | 79.6667 | 124.2 Ų | 124.2 | 82% | 0.821 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 136.8 | -0.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | P2815 | P2815-G2817 PolarHBondContact O-N 2.86Š|
| 2818 | K | 41.3 | Very low | 41.4 | Very low | 180 Ų | 180 | 126.3 Ų | 126.3 | 78% | 0.783 | 70% | 0.696 | S | S | * | * | trans | -125.7 | 121.5 | 173.6 | -67.3 | -173.8 | -179.1 | 179.7 | 0 | 110.8 | L3077 | K2818-L3077 PolarHBondContact NZ-O 2.81Š| ||
| 2819 | S | 44.3 | Very low | 41.3 | Very low | 67.3333 Ų | 67.3333 | 123.8 Ų | 123.8 | 47% | 0.471 | 69% | 0.688 | S | S | . | * | trans | -87 | 142.2 | -171.9 | 67.4 | 0 | 0 | 0 | 0 | 112.7 | S2821 Q2822 | S2819-S2821 WeakPolarHBondContact CB-OG 3.35Å; S2819-S2821 PolarHBondContact O-N 3Å; S2819-S2821 VanDerWaalsContact O-N 3.1Å; S2819-S2821 PolarHBondContact OG-OG 3.16Å; S2819-Q2822 PolarHBondContact O-N 2.93Å | ||
| 2820 | V | 43.2 | Very low | 41.2 | Very low | 127.667 Ų | 127.667 | 124.9 Ų | 124.9 | 77% | 0.774 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -62.1 | -8.7 | 176.1 | -175.2 | 0 | 0 | 0 | 0 | 112.1 | Q2822 I2823 S2824 | V2820-Q2822 VanDerWaalsContact C-N 3.34Å; V2820-Q2822 PolarHBondContact O-N 2.84Å; V2820-I2823 PolarHBondContact O-N 2.94Å; V2820-S2824 WeakPolarHBondContact O-CB 2.94Å; V2820-S2824 PolarHBondContact O-N 2.81Å |
| 2821 | S | 43.9 | Very low | 40.8 | Very low | 86 Ų | 86 | 126.6 Ų | 126.6 | 60% | 0.601 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -78.8 | -13.1 | -176.5 | 49.6 | 0 | 0 | 0 | 0 | 115.2 | S2819 | S2819-S2821 WeakPolarHBondContact CB-OG 3.35Å; S2819-S2821 PolarHBondContact O-N 3Å; S2819-S2821 VanDerWaalsContact O-N 3.1Å; S2819-S2821 PolarHBondContact OG-OG 3.16Å |
| 2822 | Q | 42.7 | Very low | 40.6 | Very low | 151 Ų | 151 | 129.9 Ų | 129.9 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -100 | -6.4 | -179.1 | -73.3 | -178.6 | -32.7 | 0 | 0 | 113.6 | S2819 V2820 S2825 | S2819-Q2822 PolarHBondContact O-N 2.93Å; V2820-Q2822 VanDerWaalsContact C-N 3.34Å; V2820-Q2822 PolarHBondContact O-N 2.84Å; Q2822-S2825 PolarHBondContact O-OG 2.75Å; Q2822-S2825 VanDerWaalsContact O-OG 3.09Å |
| 2823 | I | 48 | Very low | 40.1 | Very low | 133 Ų | 133 | 129.8 Ų | 129.8 | 68% | 0.682 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -102.3 | -7 | 178.7 | -56.1 | 172.5 | 0 | 0 | 0 | 110.3 | V2820 | V2820-I2823 PolarHBondContact O-N 2.94Š|
| 2824 | S | 45.7 | Very low | 39.5 | Very low | 70.3333 Ų | 70.3333 | 125.6 Ų | 125.6 | 49% | 0.492 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -91.3 | 1.2 | -172.4 | -175.9 | 0 | 0 | 0 | 0 | 114.9 | V2820 | V2820-S2824 WeakPolarHBondContact O-CB 2.94Å; V2820-S2824 PolarHBondContact O-N 2.81Å |
| 2825 | S | 42.9 | Very low | 38.8 | Very low | 77.3333 Ų | 77.3333 | 127.2 Ų | 127.2 | 54% | 0.541 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -88.5 | -29.1 | -174.8 | 47 | 0 | 0 | 0 | 0 | 114.7 | Q2822 | Q2822-S2825 PolarHBondContact O-OG 2.75Å; Q2822-S2825 VanDerWaalsContact O-OG 3.09Å |
| 2826 | D | 42.7 | Very low | 38.7 | Very low | 136.333 Ų | 136.333 | 130.4 Ų | 130.4 | 73% | 0.729 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -104.1 | -1 | -165.3 | -66.1 | -30.9 | 0 | 0 | 0 | 114.3 | R2828 | D2826-R2828 VanDerWaalsContact C-N 3.32Å; D2826-R2828 PolarHBondContact O-N 3.11Å; D2826-R2828 VanDerWaalsContact O-N 3.14Å |
| 2827 | E | 43.5 | Very low | 38.7 | Very low | 158.667 Ų | 158.667 | 123 Ų | 123 | 74% | 0.741 | 67% | 0.67 | S | S | * | * | trans | -77.6 | 8.2 | -177.9 | -68.2 | -171.9 | 157.6 | 0 | 0 | 115.4 | A2829 K2849 | E2827-A2829 VanDerWaalsContact C-N 3.28Å; E2827-A2829 PolarHBondContact O-N 3.14Å; E2827-K2849 IonicContact OE2-NZ 2.71Å | ||
| 2828 | R | 39.3 | Very low | 38.2 | Very low | 226 Ų | 226 | 127 Ų | 127 | 85% | 0.853 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -86.5 | 15.2 | -175.4 | -77.9 | -178.5 | 169.9 | 171.5 | -1.6 | 115.2 | D2826 | D2826-R2828 VanDerWaalsContact C-N 3.32Å; D2826-R2828 PolarHBondContact O-N 3.11Å; D2826-R2828 VanDerWaalsContact O-N 3.14Å |
| 2829 | A | 38.2 | Very low | 37.8 | Very low | 61.6667 Ų | 61.6667 | 122.8 Ų | 122.8 | 51% | 0.51 | 66% | 0.664 | S | S | . | * | G | 310 helix | trans | -108.9 | -13 | -163.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | E2827 H2831 R2843 | E2827-A2829 VanDerWaalsContact C-N 3.28Å; E2827-A2829 PolarHBondContact O-N 3.14Å; A2829-H2831 PolarHBondContact O-N 3.49Å; A2829-R2843 WeakPolarHBondContact O-CD 3.13Å; A2829-R2843 PolarHBondContact O-NE 2.86Å; A2829-R2843 PolarHBondContact O-NH1 2.63Å; A2829-R2843 PolarHBondContact O-NH2 2.74Å; A2829-R2843 VanDerWaalsContact O-NH2 3.08Å |
| 2830 | L | 33.1 | Very low | 37 | Very low | 150.333 Ų | 150.333 | 126.7 Ų | 126.7 | 79% | 0.787 | 67% | 0.673 | S | S | * | * | trans | -118.3 | 60.4 | -165.8 | -73.8 | 163.5 | 0 | 0 | 0 | 114.6 | ||||
| 2831 | H | 30.4 | Very low | 36.3 | Very low | 141.667 Ų | 141.667 | 126.5 Ų | 126.5 | 66% | 0.656 | 66% | 0.662 | S | S | * | * | trans | -121 | 135.7 | 168.8 | -120 | -82.4 | 0 | 0 | 0 | 111.2 | R2750 A2829 F2841 | R2750-H2831 WeakPolarHBondContact CD-CE1 3.45Å; R2750-H2831 WeakPolarHBondContact CD-ND1 3.24Å; R2750-H2831 PolarHBondContact NH1-CD2 3.1Å; R2750-H2831 PolarHBondContact NH1-NE2 3.12Å; A2829-H2831 PolarHBondContact O-N 3.49Å; H2831-F2841 HydrophobicContact CB-CE1 3.57Å; H2831-F2841 HydrophobicContact CB-CZ 3.48Å; H2831-F2841 VanDerWaalsContact CB-CZ 3.48Å; H2831-F2841 AromaticContact ND1-CZ 3.9Å; H2831-F2841 WeakPolarHBondContact O-CD1 3.43Å; H2831-F2841 WeakPolarHBondContact O-CE1 3.09Å | ||
| 2832 | W | 32 | Very low | 35.7 | Very low | 166.667 Ų | 166.667 | 129.5 Ų | 129.5 | 63% | 0.631 | 66% | 0.664 | S | S | * | * | trans | -123.8 | 126.3 | 168.7 | -81.2 | 94.2 | 0 | 0 | 0 | 110.6 | N2749 Q2751 F2841 F2842 R3564 | N2749-W2832 HydrophobicContact CB-CB 3.56Å; N2749-W2832 HydrophobicContact CB-CD2 4.31Å; N2749-W2832 HydrophobicContact CB-CG 3.6Å; N2749-W2832 CarbonylContact O-C 3.59Å; N2749-W2832 WeakPolarHBondContact O-CB 3.27Å; Q2751-W2832 PolarHBondContact NE2-O 2.78Å; W2832-F2841 HydrophobicContact CB-CB 4.11Å; W2832-F2841 HydrophobicContact CB-CD1 4.25Å; W2832-F2841 HydrophobicContact CB-CD2 4.11Å; W2832-F2841 HydrophobicContact CB-CG 3.88Å; W2832-F2841 HydrophobicContact CD2-CB 3.23Å; W2832-F2841 HydrophobicContact CD2-CD1 4.36Å; W2832-F2841 AromaticContact CD2-CG 3.95Å; W2832-F2841 HydrophobicContact CD2-CG 3.95Å; W2832-F2841 HydrophobicContact CE3-CB 3.01Å; W2832-F2841 HydrophobicContact CE3-CG 4.08Å; W2832-F2841 HydrophobicContact CG-CB 3.7Å; W2832-F2841 HydrophobicContact CG-CD1 4.06Å; W2832-F2841 AromaticContact CG-CG 3.85Å; W2832-F2841 HydrophobicContact CG-CG 3.85Å; W2832-F2841 HydrophobicContact CH2-CB 4.06Å; W2832-F2841 WeakPolarHBondContact CH2-O 3.34Å; W2832-F2841 HydrophobicContact CZ2-CB 4.29Å; W2832-F2841 WeakPolarHBondContact CZ2-O 3.39Å; W2832-F2841 VanDerWaalsContact CZ3-C 3.43Å; W2832-F2841 HydrophobicContact CZ3-CB 3.43Å; W2832-F2841 VanDerWaalsContact CZ3-CB 3.43Å; W2832-F2841 WeakPolarHBondContact CZ3-O 3.42Å; W2832-F2842 HydrophobicContact CH2-CD1 4.18Å; W2832-F2842 AromaticContact CH2-CD2 4Å; W2832-F2842 HydrophobicContact CH2-CD2 4Å; W2832-F2842 HydrophobicContact CH2-CE1 4.06Å; W2832-F2842 AromaticContact CH2-CE2 3.85Å; W2832-F2842 HydrophobicContact CH2-CE2 3.85Å; W2832-F2842 HydrophobicContact CH2-CG 4.16Å; W2832-F2842 AromaticContact CH2-CZ 3.9Å; W2832-F2842 HydrophobicContact CH2-CZ 3.9Å; W2832-F2842 HydrophobicContact CZ3-CD2 4.48Å; W2832-F2842 HydrophobicContact CZ3-CE2 4.37Å; W2832-R3564 HydrophobicContact CH2-CG 4.24Å; W2832-R3564 VanDerWaalsContact CH2-NE 3.31Å; W2832-R3564 HydrophobicContact CZ2-CG 4.26Å; W2832-R3564 VanDerWaalsContact CZ2-NE 3.26Å; W2832-R3564 VanDerWaalsContact CZ2-NH2 3.29Å | ||
| 2833 | V | 32.2 | Very low | 35.2 | Very low | 95.3333 Ų | 95.3333 | 131.9 Ų | 131.9 | 58% | 0.578 | 67% | 0.667 | S | S | * | * | trans | -129.8 | 145.5 | 175.2 | 176.1 | 0 | 0 | 0 | 0 | 107.6 | Q2751 F2841 | Q2751-V2833 VanDerWaalsContact CD-CA 3.46Å; V2833-F2841 HydrophobicContact CB-CD2 4Å; V2833-F2841 HydrophobicContact CB-CE2 3.49Å; V2833-F2841 VanDerWaalsContact CB-CE2 3.49Å; V2833-F2841 HydrophobicContact CG2-CD2 4.48Å; V2833-F2841 HydrophobicContact CG2-CE2 3.53Å; V2833-F2841 HydrophobicContact CG2-CZ 4.21Å | ||
| 2834 | P | 30.4 | Very low | 34.2 | Very low | 89 Ų | 89 | 130.1 Ų | 130.1 | 58% | 0.578 | 67% | 0.672 | S | S | * | * | trans | -103.5 | 102.7 | 167.9 | 16.4 | 0.5 | 0 | 0 | 0 | 111.1 | Q2751 I2836 G2837 | Q2751-P2834 HydrophobicContact CB-CB 4.23Å; Q2751-P2834 VanDerWaalsContact CD-CB 3.49Å; Q2751-P2834 HydrophobicContact CG-CB 3.84Å; Q2751-P2834 HydrophobicContact CG-CG 4.42Å; P2834-I2836 VanDerWaalsContact C-N 3.3Å; P2834-I2836 PolarHBondContact O-N 2.74Å; P2834-G2837 VanDerWaalsContact C-CA 3.46Å; P2834-G2837 CarbonylContact C-O 3.56Å; P2834-G2837 WeakPolarHBondContact CA-O 3.27Å; P2834-G2837 CarbonylContact O-C 3.54Å; P2834-G2837 WeakPolarHBondContact O-CA 3.46Å | ||
| 2835 | E | 31.5 | Very low | 33.8 | Very low | 170.667 Ų | 170.667 | 133.7 Ų | 133.7 | 80% | 0.798 | 69% | 0.686 | S | S | * | * | trans | -91.5 | 108.3 | 172.2 | -80.5 | 169.6 | 156.4 | 0 | 0 | 109.6 | G2837 | E2835-G2837 VanDerWaalsContact CA-C 3.46Å; E2835-G2837 PolarHBondContact N-O 3.03Å | ||
| 2836 | I | 32.6 | Very low | 33.8 | Very low | 165.667 Ų | 165.667 | 136.4 Ų | 136.4 | 85% | 0.85 | 70% | 0.699 | S | S | * | * | -145.9 | 98.4 | 102.5 | -60.8 | 139.3 | 0 | 0 | 0 | 109.9 | P2834 | P2834-I2836 VanDerWaalsContact C-N 3.3Å; P2834-I2836 PolarHBondContact O-N 2.74Å | |||
| 2837 | G | 33 | Very low | 34 | Very low | 47.6667 Ų | 47.6667 | 136.1 Ų | 136.1 | 49% | 0.491 | 69% | 0.693 | S | S | . | * | S | Bend | 154.1 | -12.7 | 126.3 | 0 | 0 | 0 | 0 | 0 | 119 | P2834 E2835 A2839 | P2834-G2837 VanDerWaalsContact C-CA 3.46Å; P2834-G2837 CarbonylContact C-O 3.56Å; P2834-G2837 WeakPolarHBondContact CA-O 3.27Å; P2834-G2837 CarbonylContact O-C 3.54Å; P2834-G2837 WeakPolarHBondContact O-CA 3.46Å; E2835-G2837 VanDerWaalsContact CA-C 3.46Å; E2835-G2837 PolarHBondContact N-O 3.03Å; G2837-A2839 PolarHBondContact O-N 2.72Å | |
| 2838 | F | 32 | Very low | 34.9 | Very low | 164.333 Ų | 164.333 | 133.7 Ų | 133.7 | 72% | 0.721 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -117.6 | 0.8 | -165.5 | -108.7 | -90.8 | 0 | 0 | 0 | 117.1 | F2840 L2880 P3589 | F2838-F2840 PolarHBondContact O-N 3.39Å; F2838-L2880 HydrophobicContact CD1-CD1 4.42Å; F2838-P3589 HydrophobicContact CE2-CB 3.9Å; F2838-P3589 HydrophobicContact CE2-CG 3.81Å; F2838-P3589 HydrophobicContact CZ-CB 4.25Å; F2838-P3589 HydrophobicContact CZ-CG 3.68Å |
| 2839 | A | 31.6 | Very low | 36.5 | Very low | 91.3333 Ų | 91.3333 | 129.5 Ų | 129.5 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | trans | -92.1 | 39.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | G2837 | G2837-A2839 PolarHBondContact O-N 2.72Š| ||
| 2840 | F | 27.6 | Very low | 38.4 | Very low | 150.667 Ų | 150.667 | 128.5 Ų | 128.5 | 66% | 0.661 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -136.7 | 8.1 | 177.9 | -133.8 | -93.3 | 0 | 0 | 0 | 117.5 | F2838 | F2838-F2840 PolarHBondContact O-N 3.39Š|
| 2841 | F | 28.9 | Very low | 40.9 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 54% | 0.535 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -132.9 | 0.2 | -179 | -84.9 | -73.4 | 0 | 0 | 0 | 120.2 | H2831 W2832 V2833 R2843 F3582 | H2831-F2841 HydrophobicContact CB-CE1 3.57Å; H2831-F2841 HydrophobicContact CB-CZ 3.48Å; H2831-F2841 VanDerWaalsContact CB-CZ 3.48Å; H2831-F2841 AromaticContact ND1-CZ 3.9Å; H2831-F2841 WeakPolarHBondContact O-CD1 3.43Å; H2831-F2841 WeakPolarHBondContact O-CE1 3.09Å; W2832-F2841 HydrophobicContact CB-CB 4.11Å; W2832-F2841 HydrophobicContact CB-CD1 4.25Å; W2832-F2841 HydrophobicContact CB-CD2 4.11Å; W2832-F2841 HydrophobicContact CB-CG 3.88Å; W2832-F2841 HydrophobicContact CD2-CB 3.23Å; W2832-F2841 HydrophobicContact CD2-CD1 4.36Å; W2832-F2841 AromaticContact CD2-CG 3.95Å; W2832-F2841 HydrophobicContact CD2-CG 3.95Å; W2832-F2841 HydrophobicContact CE3-CB 3.01Å; W2832-F2841 HydrophobicContact CE3-CG 4.08Å; W2832-F2841 HydrophobicContact CG-CB 3.7Å; W2832-F2841 HydrophobicContact CG-CD1 4.06Å; W2832-F2841 AromaticContact CG-CG 3.85Å; W2832-F2841 HydrophobicContact CG-CG 3.85Å; W2832-F2841 HydrophobicContact CH2-CB 4.06Å; W2832-F2841 WeakPolarHBondContact CH2-O 3.34Å; W2832-F2841 HydrophobicContact CZ2-CB 4.29Å; W2832-F2841 WeakPolarHBondContact CZ2-O 3.39Å; W2832-F2841 VanDerWaalsContact CZ3-C 3.43Å; W2832-F2841 HydrophobicContact CZ3-CB 3.43Å; W2832-F2841 VanDerWaalsContact CZ3-CB 3.43Å; W2832-F2841 WeakPolarHBondContact CZ3-O 3.42Å; V2833-F2841 HydrophobicContact CB-CD2 4Å; V2833-F2841 HydrophobicContact CB-CE2 3.49Å; V2833-F2841 VanDerWaalsContact CB-CE2 3.49Å; V2833-F2841 HydrophobicContact CG2-CD2 4.48Å; V2833-F2841 HydrophobicContact CG2-CE2 3.53Å; V2833-F2841 HydrophobicContact CG2-CZ 4.21Å; F2841-R2843 PolarHBondContact O-N 3.26Å; F2841-F3582 HydrophobicContact CE2-CZ 4.2Å |
| 2842 | F | 31.3 | Very low | 43.7 | Very low | 149.333 Ų | 149.333 | 121.6 Ų | 121.6 | 66% | 0.655 | 63% | 0.626 | S | S | * | * | trans | -97.5 | 107.2 | 157.2 | -71.4 | -78.4 | 0 | 0 | 0 | 109.4 | W2832 A2844 E2847 H2878 | W2832-F2842 HydrophobicContact CH2-CD1 4.18Å; W2832-F2842 AromaticContact CH2-CD2 4Å; W2832-F2842 HydrophobicContact CH2-CD2 4Å; W2832-F2842 HydrophobicContact CH2-CE1 4.06Å; W2832-F2842 AromaticContact CH2-CE2 3.85Å; W2832-F2842 HydrophobicContact CH2-CE2 3.85Å; W2832-F2842 HydrophobicContact CH2-CG 4.16Å; W2832-F2842 AromaticContact CH2-CZ 3.9Å; W2832-F2842 HydrophobicContact CH2-CZ 3.9Å; W2832-F2842 HydrophobicContact CZ3-CD2 4.48Å; W2832-F2842 HydrophobicContact CZ3-CE2 4.37Å; F2842-A2844 PolarHBondContact O-N 3.25Å; F2842-E2847 HydrophobicContact CD1-CG 4.26Å; F2842-E2847 HydrophobicContact CE1-CG 4.22Å; F2842-E2847 WeakPolarHBondContact CE1-OE1 3.47Å; F2842-H2878 AromaticContact CD2-CE1 3.81Å; F2842-H2878 AromaticContact CE1-CE1 3.74Å; F2842-H2878 AromaticContact CE2-CE1 3.42Å; F2842-H2878 VanDerWaalsContact CE2-CE1 3.42Å; F2842-H2878 WeakPolarHBondContact CE2-CE1 3.18Å; F2842-H2878 AromaticContact CZ-CE1 3.37Å; F2842-H2878 WeakPolarHBondContact CZ-CE1 3.31Å; F2842-H2878 AromaticContact CZ-NE2 3.69Å | ||
| 2843 | R | 31.2 | Very low | 46.2 | Very low | 202 Ų | 202 | 116.5 Ų | 116.5 | 76% | 0.762 | 61% | 0.613 | S | S | * | * | trans | -58.5 | 127.3 | 156.7 | -85.7 | 179.5 | 172.7 | -172.4 | 3.9 | 107.4 | A2829 F2841 D2845 | A2829-R2843 WeakPolarHBondContact O-CD 3.13Å; A2829-R2843 PolarHBondContact O-NE 2.86Å; A2829-R2843 PolarHBondContact O-NH1 2.63Å; A2829-R2843 PolarHBondContact O-NH2 2.74Å; A2829-R2843 VanDerWaalsContact O-NH2 3.08Å; F2841-R2843 PolarHBondContact O-N 3.26Å; R2843-D2845 PolarHBondContact O-N 3.11Å | ||
| 2844 | A | 28.7 | Very low | 48.8 | Very low | 94.6667 Ų | 94.6667 | 113.3 Ų | 113.3 | 78% | 0.782 | 59% | 0.592 | S | S | * | * | trans | -70.3 | 101.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F2842 | F2842-A2844 PolarHBondContact O-N 3.25Š| ||
| 2845 | D | 36.3 | Very low | 51 | Low | 147.333 Ų | 147.333 | 111.4 Ų | 111.4 | 79% | 0.788 | 58% | 0.578 | S | S | * | * | trans | -115.9 | 110.5 | 145.4 | -83.6 | -39.6 | 0 | 0 | 0 | 107.9 | R2843 E2847 | R2843-D2845 PolarHBondContact O-N 3.11Å; D2845-E2847 PolarHBondContact O-N 2.95Å | ||
| 2846 | T | 42.3 | Very low | 53.3 | Low | 133.667 Ų | 133.667 | 105 Ų | 105 | 82% | 0.82 | 55% | 0.549 | S | S | * | . | trans | -7.2 | 88.8 | 172.6 | 56.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 2847 | E | 47.2 | Very low | 55.9 | Low | 130.333 Ų | 130.333 | 100.2 Ų | 100.2 | 61% | 0.609 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -77.1 | 133.6 | 157.2 | -74.3 | -161.6 | 153.8 | 0 | 0 | 109.7 | F2842 D2845 K2849 H2878 | F2842-E2847 HydrophobicContact CD1-CG 4.26Å; F2842-E2847 HydrophobicContact CE1-CG 4.22Å; F2842-E2847 WeakPolarHBondContact CE1-OE1 3.47Å; D2845-E2847 PolarHBondContact O-N 2.95Å; E2847-K2849 PolarHBondContact O-N 3.35Å; E2847-K2849 VanDerWaalsContact O-N 3.09Å; E2847-H2878 IonicContact OE2-CD2 2.92Å; E2847-H2878 PolarHBondContact OE2-CD2 2.63Å; E2847-H2878 IonicContact OE2-CE1 2.92Å; E2847-H2878 PolarHBondContact OE2-CE1 3.07Å; E2847-H2878 IonicContact OE2-CG 2.65Å; E2847-H2878 IonicContact OE2-ND1 2.67Å; E2847-H2878 PolarHBondContact OE2-ND1 3.23Å; E2847-H2878 IonicContact OE2-NE2 3.32Å; E2847-H2878 PolarHBondContact OE2-NE2 2.85Å |
| 2848 | P | 62.7 | Low | 58.6 | Low | 107 Ų | 107 | 98.3 Ų | 98.3 | 70% | 0.695 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 125.9 | -177.9 | 26.6 | -32.7 | 0 | 0 | 0 | 110.4 | S2850 | P2848-S2850 PolarHBondContact O-N 3.11Å; P2848-S2850 VanDerWaalsContact O-N 3.12Å; P2848-S2850 PolarHBondContact O-OG 2.95Å |
| 2849 | K | 73.8 | Confident | 61.3 | Low | 138.667 Ų | 138.667 | 99.6 Ų | 99.6 | 60% | 0.603 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -49.7 | 128.1 | 168.2 | -76.4 | -178.1 | 171.2 | -145.9 | 0 | 109.9 | E2827 E2847 H2878 E2929 | E2827-K2849 IonicContact OE2-NZ 2.71Å; E2847-K2849 PolarHBondContact O-N 3.35Å; E2847-K2849 VanDerWaalsContact O-N 3.09Å; K2849-H2878 CarbonylContact C-O 3.55Å; K2849-H2878 VanDerWaalsContact CA-O 3.29Å; K2849-H2878 WeakPolarHBondContact CA-O 3.34Å; K2849-E2929 HydrophobicContact CB-CG 3.92Å; K2849-E2929 WeakPolarHBondContact CB-OE2 3.24Å; K2849-E2929 VanDerWaalsContact CD-CD 3.43Å; K2849-E2929 HydrophobicContact CD-CG 4.29Å; K2849-E2929 WeakPolarHBondContact CD-OE1 3.37Å; K2849-E2929 WeakPolarHBondContact CD-OE2 3.21Å; K2849-E2929 HydrophobicContact CG-CG 4.19Å; K2849-E2929 IonicContact NZ-OE1 3.51Å; K2849-E2929 PolarHBondContact NZ-OE1 2.88Å; K2849-E2929 IonicContact NZ-OE2 2.81Å; K2849-E2929 PolarHBondContact NZ-OE2 2.83Å |
| 2850 | S | 78.4 | Confident | 64.1 | Low | 40.6667 Ų | 40.6667 | 102.4 Ų | 102.4 | 28% | 0.284 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 134.4 | -175.1 | 53.1 | 0 | 0 | 0 | 0 | 110.8 | P2848 H2878 N2927 | P2848-S2850 PolarHBondContact O-N 3.11Å; P2848-S2850 VanDerWaalsContact O-N 3.12Å; P2848-S2850 PolarHBondContact O-OG 2.95Å; S2850-H2878 PolarHBondContact N-O 2.79Å; S2850-H2878 PolarHBondContact O-N 3.1Å; S2850-H2878 VanDerWaalsContact O-O 3.12Å; S2850-H2878 PolarHBondContact OG-N 3.06Å; S2850-N2927 PolarHBondContact O-ND2 3.24Å |
| 2851 | R | 85.7 | Confident | 67.1 | Low | 146.333 Ų | 146.333 | 96.4 Ų | 96.4 | 55% | 0.552 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 157.4 | 170 | 64.6 | 173.2 | -98.4 | -158.3 | 1.1 | 110.7 | V2853 E2929 V2931 | R2851-V2853 HydrophobicContact CG-CG2 4.49Å; R2851-V2853 PolarHBondContact O-N 2.78Å; R2851-E2929 HydrophobicContact CB-CB 4.36Å; R2851-V2931 PolarHBondContact NH2-O 3.37Å |
| 2852 | P | 87.6 | Confident | 70.1 | Confident | 0 Ų | 0 | 95.6 Ų | 95.6 | 0% | 0 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 138.9 | 178.3 | -16.2 | 33.4 | 0 | 0 | 0 | 110.6 | V2875 V2876 A2881 A2925 N2927 G2930 A2932 | P2852-V2875 HydrophobicContact CB-CG1 3.94Å; P2852-V2876 WeakPolarHBondContact CA-O 3.28Å; P2852-A2881 HydrophobicContact CB-CB 3.89Å; P2852-A2881 HydrophobicContact CG-CB 3.78Å; P2852-A2925 HydrophobicContact CB-CB 3.8Å; P2852-A2925 HydrophobicContact CG-CB 4.45Å; P2852-A2925 WeakPolarHBondContact CG-O 3.42Å; P2852-N2927 VanDerWaalsContact CD-OD1 3.27Å; P2852-N2927 WeakPolarHBondContact CD-OD1 3.37Å; P2852-N2927 HydrophobicContact CG-CB 4.12Å; P2852-N2927 WeakPolarHBondContact CG-OD1 3.36Å; P2852-G2930 VanDerWaalsContact CD-O 3.27Å; P2852-G2930 WeakPolarHBondContact CD-O 3.37Å; P2852-G2930 WeakPolarHBondContact CG-O 3.27Å; P2852-A2932 HydrophobicContact CB-CB 4.14Å; P2852-A2932 WeakPolarHBondContact O-CB 3.22Å |
| 2853 | V | 85.8 | Confident | 72.8 | Confident | 59.3333 Ų | 59.3333 | 88.9 Ų | 88.9 | 36% | 0.36 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 126.6 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 108 | R2851 T2855 V2875 V2876 | R2851-V2853 HydrophobicContact CG-CG2 4.49Å; R2851-V2853 PolarHBondContact O-N 2.78Å; V2853-T2855 HydrophobicContact CG1-CG2 4.22Å; V2853-T2855 PolarHBondContact O-N 3.15Å; V2853-V2875 WeakPolarHBondContact O-CA 3.35Å; V2853-V2876 PolarHBondContact N-O 2.92Å; V2853-V2876 PolarHBondContact O-N 2.92Å |
| 2854 | F | 86.2 | Confident | 75.2 | Confident | 29.3333 Ų | 29.3333 | 80.9 Ų | 80.9 | 13% | 0.129 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 115 | 169.2 | -75.2 | -81.6 | 0 | 0 | 0 | 109.1 | C2873 A2874 V2875 C2923 A2925 A2932 Q2933 A2934 | F2854-C2873 HydrophobicContact CD1-CB 4.11Å; F2854-C2873 HydrophobicContact CE1-CB 4.08Å; F2854-A2874 CarbonylContact C-O 3.46Å; F2854-A2874 VanDerWaalsContact CA-O 3.31Å; F2854-A2874 WeakPolarHBondContact CA-O 3.3Å; F2854-V2875 HydrophobicContact CD1-CG2 3.65Å; F2854-V2875 HydrophobicContact CE1-CG2 3.48Å; F2854-V2875 VanDerWaalsContact CE1-CG2 3.46Å; F2854-V2875 HydrophobicContact CG-CG2 4.42Å; F2854-V2875 HydrophobicContact CZ-CG2 4.12Å; F2854-C2923 HydrophobicContact CE1-CB 4.11Å; F2854-C2923 VanDerWaalsContact CE1-SG 3.59Å; F2854-C2923 HydrophobicContact CZ-CB 4.01Å; F2854-C2923 WeakPolarHBondContact CZ-O 3.35Å; F2854-A2925 HydrophobicContact CE2-CB 4.24Å; F2854-A2925 HydrophobicContact CZ-CB 4Å; F2854-A2932 HydrophobicContact CD2-CB 3.92Å; F2854-A2932 HydrophobicContact CE2-CB 3.91Å; F2854-A2932 WeakPolarHBondContact CE2-O 3.33Å; F2854-Q2933 VanDerWaalsContact CE2-C 3.49Å; F2854-A2934 HydrophobicContact CD1-CB 4.14Å; F2854-A2934 HydrophobicContact CD2-CB 3.72Å; F2854-A2934 HydrophobicContact CE1-CB 4.21Å; F2854-A2934 HydrophobicContact CE2-CB 3.8Å; F2854-A2934 HydrophobicContact CG-CB 3.9Å; F2854-A2934 HydrophobicContact CZ-CB 4.06Å |
| 2855 | T | 77.6 | Confident | 77.8 | Confident | 47.6667 Ų | 47.6667 | 79 Ų | 79 | 29% | 0.292 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -23.9 | 173.8 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | E2724 V2853 A2874 V2876 | E2724-T2855 VanDerWaalsContact CD-OG1 3.31Å; E2724-T2855 HydrophobicContact CG-CG2 4.16Å; E2724-T2855 WeakPolarHBondContact OE1-CB 3.22Å; E2724-T2855 WeakPolarHBondContact OE1-CG2 3.27Å; E2724-T2855 PolarHBondContact OE1-OG1 2.96Å; E2724-T2855 WeakPolarHBondContact OE2-CB 3.46Å; E2724-T2855 WeakPolarHBondContact OE2-CG2 3.16Å; V2853-T2855 HydrophobicContact CG1-CG2 4.22Å; V2853-T2855 PolarHBondContact O-N 3.15Å; T2855-A2874 PolarHBondContact N-O 2.98Å; T2855-A2874 VanDerWaalsContact N-O 3.17Å; T2855-A2874 VanDerWaalsContact OG1-CB 3.28Å; T2855-A2874 WeakPolarHBondContact OG1-CB 3.28Å; T2855-A2874 PolarHBondContact OG1-O 2.89Å; T2855-V2876 HydrophobicContact CG2-CB 4.25Å; T2855-V2876 HydrophobicContact CG2-CG2 3.73Å |
| 2856 | I | 78.2 | Confident | 79.8 | Confident | 38 Ų | 38 | 76.3 Ų | 76.3 | 20% | 0.195 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 114.8 | 164.3 | -57 | 175.7 | 0 | 0 | 0 | 108.2 | Y2774 L2776 C2873 A2874 M2905 | Y2774-I2856 HydrophobicContact CD2-CD1 3.96Å; Y2774-I2856 HydrophobicContact CE2-CD1 4.17Å; Y2774-I2856 HydrophobicContact CG-CD1 3.91Å; L2776-I2856 HydrophobicContact CD2-CD1 4.26Å; I2856-C2873 CarbonylContact O-C 3.47Å; I2856-C2873 WeakPolarHBondContact O-CA 3.34Å; I2856-C2873 WeakPolarHBondContact O-CB 3.27Å; I2856-A2874 HydrophobicContact CB-CB 3.8Å; I2856-A2874 HydrophobicContact CD1-CB 4.18Å; I2856-A2874 HydrophobicContact CG1-CB 3.94Å; I2856-A2874 PolarHBondContact N-O 3.47Å; I2856-A2874 PolarHBondContact O-N 3.13Å; I2856-M2905 HydrophobicContact CB-CE 4.17Å; I2856-M2905 HydrophobicContact CB-SD 4.12Å; I2856-M2905 HydrophobicContact CD1-CE 4.02Å; I2856-M2905 HydrophobicContact CD1-SD 3.89Å; I2856-M2905 HydrophobicContact CG1-CE 4.43Å; I2856-M2905 HydrophobicContact CG1-SD 4.38Å; I2856-M2905 HydrophobicContact CG2-CE 4Å |
| 2857 | S | 87.3 | Confident | 81.9 | Confident | 64.6667 Ų | 64.6667 | 73.5 Ų | 73.5 | 45% | 0.452 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 149.8 | 174.7 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 2858 | P | 89.9 | Confident | 83.8 | Confident | 8 Ų | 8 | 70.9 Ų | 70.9 | 5% | 0.052 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 139.9 | 177.7 | 27.9 | -34.8 | 0 | 0 | 0 | 112.3 | F2871 E2872 W2885 C2923 A2934 T2936 | P2858-F2871 HydrophobicContact CB-CD1 4.44Å; P2858-E2872 WeakPolarHBondContact CA-O 3.36Å; P2858-W2885 HydrophobicContact CB-CH2 3.84Å; P2858-W2885 HydrophobicContact CB-CZ3 3.85Å; P2858-W2885 HydrophobicContact CG-CH2 4.35Å; P2858-W2885 HydrophobicContact CG-CZ3 4.16Å; P2858-C2923 HydrophobicContact CG-CB 4.35Å; P2858-A2934 HydrophobicContact CG-CB 4.33Å; P2858-T2936 HydrophobicContact CB-CG2 3.89Å; P2858-T2936 HydrophobicContact CG-CG2 4.19Å; P2858-T2936 VanDerWaalsContact O-CB 3.26Å; P2858-T2936 WeakPolarHBondContact O-CB 3.39Å; P2858-T2936 PolarHBondContact O-OG1 3.12Å |
| 2859 | R | 88.9 | Confident | 85.1 | Confident | 190.333 Ų | 190.333 | 65.8 Ų | 65.8 | 72% | 0.718 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -97.3 | 157.8 | -179.1 | -60.4 | -178.5 | -175.6 | 179.5 | 3.5 | 111.3 | F2871 T2936 | R2859-F2871 WeakPolarHBondContact O-CD1 3.43Å; R2859-F2871 WeakPolarHBondContact O-CE1 3.37Å; R2859-T2936 WeakPolarHBondContact O-CG2 3.15Å; R2859-T2936 PolarHBondContact O-OG1 2.84Å |
| 2860 | R | 91.2 | Very high | 85.9 | Confident | 150.667 Ų | 150.667 | 63.3 Ų | 63.3 | 57% | 0.569 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 135.4 | 174.9 | 174 | 176.9 | -175.6 | -168.3 | 8.8 | 110 | T2936 T2937 D2939 | R2860-T2936 WeakPolarHBondContact CA-OG1 3.31Å; R2860-T2936 PolarHBondContact N-OG1 3.13Å; R2860-T2937 WeakPolarHBondContact CA-O 3.36Å; R2860-T2937 WeakPolarHBondContact CD-OG1 3.49Å; R2860-T2937 WeakPolarHBondContact CG-OG1 3.36Å; R2860-T2937 PolarHBondContact NE-OG1 3.33Å; R2860-D2939 IonicContact CZ-OD1 3.96Å; R2860-D2939 VanDerWaalsContact CZ-OD1 3.32Å; R2860-D2939 IonicContact CZ-OD2 3.1Å; R2860-D2939 IonicContact NE-OD1 3.01Å; R2860-D2939 PolarHBondContact NE-OD1 2.83Å; R2860-D2939 IonicContact NE-OD2 3.2Å; R2860-D2939 PolarHBondContact NE-OD2 3.24Å; R2860-D2939 IonicContact NH1-OD2 2.88Å; R2860-D2939 IonicContact NH2-OD1 2.88Å; R2860-D2939 PolarHBondContact NH2-OD1 2.83Å; R2860-D2939 IonicContact NH2-OD2 3.35Å; R2860-D2939 PolarHBondContact NH2-OD2 3.13Å |
| 2861 | V | 90.8 | Very high | 86.6 | Confident | 24.3333 Ų | 24.3333 | 61.4 Ų | 61.4 | 15% | 0.147 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 138 | 178.9 | 175.5 | 0 | 0 | 0 | 0 | 109.3 | V2863 A2869 R2870 F2871 T2937 L2938 D2939 | V2861-V2863 HydrophobicContact CG1-CG1 3.9Å; V2861-A2869 HydrophobicContact CG1-CB 3.86Å; V2861-R2870 VanDerWaalsContact CG2-O 3.29Å; V2861-R2870 WeakPolarHBondContact CG2-O 3.34Å; V2861-F2871 HydrophobicContact CB-CD1 4.48Å; V2861-F2871 HydrophobicContact CB-CE1 3.76Å; V2861-F2871 HydrophobicContact CB-CE2 4.41Å; V2861-F2871 HydrophobicContact CB-CZ 3.74Å; V2861-F2871 HydrophobicContact CG2-CD1 3.73Å; V2861-F2871 HydrophobicContact CG2-CE1 3.43Å; V2861-F2871 VanDerWaalsContact CG2-CE1 3.46Å; V2861-F2871 HydrophobicContact CG2-CE2 4.28Å; V2861-F2871 HydrophobicContact CG2-CG 4.35Å; V2861-F2871 HydrophobicContact CG2-CZ 3.81Å; V2861-T2937 PolarHBondContact N-O 3.19Å; V2861-T2937 VanDerWaalsContact N-O 3.09Å; V2861-L2938 HydrophobicContact CB-CD1 4.16Å; V2861-L2938 HydrophobicContact CG1-CD1 4.06Å; V2861-L2938 WeakPolarHBondContact O-CA 3.37Å; V2861-D2939 PolarHBondContact O-N 3.25Å |
| 2862 | Q | 90.1 | Very high | 86.8 | Confident | 105.667 Ų | 105.667 | 57.4 Ų | 57.4 | 49% | 0.494 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124 | 178.7 | -61.3 | -164.2 | -58.8 | 0 | 0 | 108.6 | D2939 F2941 | Q2862-D2939 WeakPolarHBondContact CA-O 3.33Å; Q2862-D2939 HydrophobicContact CB-CB 4.44Å; Q2862-D2939 HydrophobicContact CG-CB 4.08Å; Q2862-D2939 WeakPolarHBondContact CG-OD2 3.4Å; Q2862-D2939 PolarHBondContact NE2-OD2 3Å; Q2862-F2941 HydrophobicContact CB-CE2 4.03Å; Q2862-F2941 HydrophobicContact CG-CE2 4.47Å |
| 2863 | V | 88.1 | Confident | 86.8 | Confident | 8 Ų | 8 | 57.4 Ų | 57.4 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 155.7 | -175 | -71.5 | 0 | 0 | 0 | 0 | 110.8 | V2861 E2867 A2869 V2913 L2938 D2939 V2940 F2941 | V2861-V2863 HydrophobicContact CG1-CG1 3.9Å; V2863-E2867 WeakPolarHBondContact CA-OE2 3.33Å; V2863-E2867 HydrophobicContact CB-CB 4.12Å; V2863-E2867 HydrophobicContact CG1-CB 4.43Å; V2863-A2869 HydrophobicContact CG1-CB 4.12Å; V2863-A2869 HydrophobicContact CG2-CB 4.24Å; V2863-V2913 HydrophobicContact CG2-CB 4.11Å; V2863-V2913 HydrophobicContact CG2-CG1 3.81Å; V2863-V2913 HydrophobicContact CG2-CG2 4.14Å; V2863-L2938 HydrophobicContact CG2-CD1 3.78Å; V2863-D2939 PolarHBondContact N-O 2.88Å; V2863-D2939 VanDerWaalsContact N-O 3.09Å; V2863-V2940 HydrophobicContact CG2-CG2 4.39Å; V2863-V2940 CarbonylContact O-C 3.44Å; V2863-V2940 VanDerWaalsContact O-CA 3.29Å; V2863-V2940 WeakPolarHBondContact O-CA 3.46Å; V2863-F2941 PolarHBondContact O-N 2.98Å |
| 2864 | S | 83 | Confident | 86.7 | Confident | 34.3333 Ų | 34.3333 | 54.6 Ų | 54.6 | 24% | 0.24 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 161.3 | 167.5 | -11.8 | 0 | 0 | 0 | 0 | 111.5 | N2866 E2867 F2941 | S2864-N2866 PolarHBondContact O-N 3.19Å; S2864-E2867 VanDerWaalsContact CB-CD 3.48Å; S2864-E2867 VanDerWaalsContact CB-OE1 3.25Å; S2864-E2867 WeakPolarHBondContact CB-OE1 3.38Å; S2864-E2867 VanDerWaalsContact N-CD 3.3Å; S2864-E2867 PolarHBondContact N-OE2 3.08Å; S2864-E2867 WeakPolarHBondContact O-CB 3.42Å; S2864-E2867 PolarHBondContact O-N 2.94Å; S2864-E2867 VanDerWaalsContact O-N 3.11Å; S2864-E2867 VanDerWaalsContact OG-CD 3.27Å; S2864-E2867 VanDerWaalsContact OG-CG 3.31Å; S2864-E2867 WeakPolarHBondContact OG-CG 3.29Å; S2864-E2867 PolarHBondContact OG-OE1 3.24Å; S2864-E2867 PolarHBondContact OG-OE2 3.12Å; S2864-F2941 CarbonylContact C-O 3.54Å; S2864-F2941 VanDerWaalsContact CA-O 3.28Å; S2864-F2941 WeakPolarHBondContact CA-O 3.34Å |
| 2865 | E | 82.1 | Confident | 86.6 | Confident | 54.3333 Ų | 54.3333 | 54.2 Ų | 54.2 | 25% | 0.254 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 134.8 | 172.5 | -176.8 | 170.2 | -176.9 | 0 | 0 | 111.2 | E2867 P2915 V2940 F2941 R2942 V2943 | E2865-E2867 VanDerWaalsContact C-N 3.29Å; E2865-E2867 PolarHBondContact O-N 3.25Å; E2865-P2915 VanDerWaalsContact CD-CG 3.43Å; E2865-P2915 HydrophobicContact CG-CG 4.24Å; E2865-P2915 VanDerWaalsContact OE1-CD 3.31Å; E2865-P2915 WeakPolarHBondContact OE1-CD 3.5Å; E2865-P2915 VanDerWaalsContact OE1-CG 3.3Å; E2865-P2915 WeakPolarHBondContact OE1-CG 3.19Å; E2865-V2940 HydrophobicContact CB-CG1 4.48Å; E2865-F2941 PolarHBondContact N-O 3.05Å; E2865-R2942 WeakPolarHBondContact OE2-CG 3.28Å; E2865-V2943 HydrophobicContact CB-CG2 4.37Å |
| 2866 | N | 79.5 | Confident | 86.8 | Confident | 91.3333 Ų | 91.3333 | 54.1 Ų | 54.1 | 49% | 0.488 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69 | -0.1 | -173 | -58.5 | -54.9 | 0 | 0 | 0 | 117.4 | S2864 R2912 V2913 Q2914 | S2864-N2866 PolarHBondContact O-N 3.19Å; N2866-R2912 WeakPolarHBondContact O-CA 3.3Å; N2866-V2913 PolarHBondContact N-O 3.22Å; N2866-Q2914 PolarHBondContact OD1-NE2 2.93Å; N2866-Q2914 VanDerWaalsContact OD1-NE2 3.16Å |
| 2867 | E | 85.3 | Confident | 86.9 | Confident | 74.6667 Ų | 74.6667 | 52.4 Ų | 52.4 | 35% | 0.349 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -74.4 | 174.3 | 169 | -71 | 179.9 | 172.8 | 0 | 0 | 112.3 | V2863 S2864 E2865 R2912 V2913 I3035 | V2863-E2867 WeakPolarHBondContact CA-OE2 3.33Å; V2863-E2867 HydrophobicContact CB-CB 4.12Å; V2863-E2867 HydrophobicContact CG1-CB 4.43Å; S2864-E2867 VanDerWaalsContact CB-CD 3.48Å; S2864-E2867 VanDerWaalsContact CB-OE1 3.25Å; S2864-E2867 WeakPolarHBondContact CB-OE1 3.38Å; S2864-E2867 VanDerWaalsContact N-CD 3.3Å; S2864-E2867 PolarHBondContact N-OE2 3.08Å; S2864-E2867 WeakPolarHBondContact O-CB 3.42Å; S2864-E2867 PolarHBondContact O-N 2.94Å; S2864-E2867 VanDerWaalsContact O-N 3.11Å; S2864-E2867 VanDerWaalsContact OG-CD 3.27Å; S2864-E2867 VanDerWaalsContact OG-CG 3.31Å; S2864-E2867 WeakPolarHBondContact OG-CG 3.29Å; S2864-E2867 PolarHBondContact OG-OE1 3.24Å; S2864-E2867 PolarHBondContact OG-OE2 3.12Å; E2865-E2867 VanDerWaalsContact C-N 3.29Å; E2865-E2867 PolarHBondContact O-N 3.25Å; E2867-R2912 WeakPolarHBondContact O-CA 3.02Å; E2867-R2912 PolarHBondContact O-N 2.88Å; E2867-V2913 WeakPolarHBondContact O-CB 3.33Å; E2867-V2913 WeakPolarHBondContact O-CG2 3.37Å; E2867-V2913 PolarHBondContact O-N 3.05Å; E2867-V2913 VanDerWaalsContact O-N 3.08Å; E2867-I3035 HydrophobicContact CB-CD1 4.46Å; E2867-I3035 HydrophobicContact CG-CD1 3.65Å; E2867-I3035 WeakPolarHBondContact OE1-CD1 3.44Å; E2867-I3035 WeakPolarHBondContact OE2-CD1 3.33Å |
| 2868 | V | 86.9 | Confident | 86.3 | Confident | 75.6667 Ų | 75.6667 | 52 Ų | 52 | 46% | 0.459 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -98.9 | 122.4 | 178.9 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | I2909 I2910 N2911 | V2868-I2909 HydrophobicContact CG1-CG2 3.47Å; V2868-I2909 VanDerWaalsContact CG1-CG2 3.47Å; V2868-I2910 VanDerWaalsContact CA-O 3.23Å; V2868-I2910 WeakPolarHBondContact CA-O 3.24Å; V2868-N2911 WeakPolarHBondContact CG2-O 3.47Å |
| 2869 | A | 90.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 137.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | V2861 V2863 F2871 I2909 I2910 V2913 L2938 | V2861-A2869 HydrophobicContact CG1-CB 3.86Å; V2863-A2869 HydrophobicContact CG1-CB 4.12Å; V2863-A2869 HydrophobicContact CG2-CB 4.24Å; A2869-F2871 HydrophobicContact CB-CE2 4.28Å; A2869-I2909 CarbonylContact O-C 3.51Å; A2869-I2909 WeakPolarHBondContact O-CA 3.12Å; A2869-I2910 HydrophobicContact CB-CB 4.29Å; A2869-I2910 HydrophobicContact CB-CD1 4.32Å; A2869-I2910 HydrophobicContact CB-CG1 4.49Å; A2869-I2910 PolarHBondContact N-O 2.99Å; A2869-I2910 VanDerWaalsContact N-O 3.08Å; A2869-I2910 PolarHBondContact O-N 3.11Å; A2869-V2913 HydrophobicContact CB-CG2 3.61Å; A2869-L2938 HydrophobicContact CB-CD1 3.63Å; A2869-L2938 HydrophobicContact CB-CD2 4.45Å |
| 2870 | R | 91.6 | Very high | 85.1 | Confident | 85.3333 Ų | 85.3333 | 51.1 Ų | 51.1 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 121.7 | 179.4 | 175.4 | 178.6 | 171.9 | 169 | -2.2 | 111.2 | H2757 V2861 E2872 L2908 I2909 | H2757-R2870 PolarHBondContact CD2-NH1 2.82Å; H2757-R2870 PolarHBondContact CD2-NH2 3.41Å; H2757-R2870 PolarHBondContact CE1-NH1 3.35Å; H2757-R2870 VanDerWaalsContact CG-NH1 3.26Å; H2757-R2870 PolarHBondContact ND1-NH1 2.81Å; H2757-R2870 PolarHBondContact ND1-NH2 3.46Å; H2757-R2870 PolarHBondContact NE2-NH1 3.21Å; V2861-R2870 VanDerWaalsContact CG2-O 3.29Å; V2861-R2870 WeakPolarHBondContact CG2-O 3.34Å; R2870-E2872 IonicContact CZ-OE2 2.72Å; R2870-E2872 IonicContact NE-OE2 2.67Å; R2870-E2872 PolarHBondContact NE-OE2 2.86Å; R2870-E2872 IonicContact NH2-OE2 3.6Å; R2870-E2872 PolarHBondContact NH2-OE2 2.82Å; R2870-L2908 CarbonylContact C-O 3.49Å; R2870-L2908 WeakPolarHBondContact CA-O 3.42Å; R2870-I2909 HydrophobicContact CB-CG1 4.46Å; R2870-I2909 HydrophobicContact CG-CG1 4.18Å |
| 2871 | F | 93.1 | Very high | 84.7 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 148.3 | 170.4 | -59.2 | -86.1 | 0 | 0 | 0 | 110.4 | P2858 R2859 V2861 A2869 W2885 Y2907 L2908 I2910 V2921 T2936 L2938 | P2858-F2871 HydrophobicContact CB-CD1 4.44Å; R2859-F2871 WeakPolarHBondContact O-CD1 3.43Å; R2859-F2871 WeakPolarHBondContact O-CE1 3.37Å; V2861-F2871 HydrophobicContact CB-CD1 4.48Å; V2861-F2871 HydrophobicContact CB-CE1 3.76Å; V2861-F2871 HydrophobicContact CB-CE2 4.41Å; V2861-F2871 HydrophobicContact CB-CZ 3.74Å; V2861-F2871 HydrophobicContact CG2-CD1 3.73Å; V2861-F2871 HydrophobicContact CG2-CE1 3.43Å; V2861-F2871 VanDerWaalsContact CG2-CE1 3.46Å; V2861-F2871 HydrophobicContact CG2-CE2 4.28Å; V2861-F2871 HydrophobicContact CG2-CG 4.35Å; V2861-F2871 HydrophobicContact CG2-CZ 3.81Å; A2869-F2871 HydrophobicContact CB-CE2 4.28Å; F2871-W2885 HydrophobicContact CB-CE3 4.37Å; F2871-W2885 HydrophobicContact CB-CH2 3.55Å; F2871-W2885 HydrophobicContact CB-CZ2 4.45Å; F2871-W2885 HydrophobicContact CB-CZ3 3.48Å; F2871-W2885 VanDerWaalsContact CB-CZ3 3.46Å; F2871-W2885 HydrophobicContact CG-CZ3 4.21Å; F2871-Y2907 CarbonylContact O-C 3.47Å; F2871-Y2907 VanDerWaalsContact O-CA 3.26Å; F2871-Y2907 WeakPolarHBondContact O-CA 3.21Å; F2871-L2908 HydrophobicContact CB-CB 4.31Å; F2871-L2908 HydrophobicContact CD2-CD2 3.97Å; F2871-L2908 HydrophobicContact CD2-CG 4.36Å; F2871-L2908 PolarHBondContact N-O 3.33Å; F2871-L2908 PolarHBondContact O-N 2.77Å; F2871-I2910 HydrophobicContact CE2-CD1 4.08Å; F2871-V2921 HydrophobicContact CD1-CG1 4.29Å; F2871-V2921 HydrophobicContact CD2-CG1 4.09Å; F2871-V2921 HydrophobicContact CE1-CB 4.24Å; F2871-V2921 HydrophobicContact CE1-CG1 4.35Å; F2871-V2921 HydrophobicContact CE1-CG2 4.22Å; F2871-V2921 HydrophobicContact CE2-CB 4.42Å; F2871-V2921 HydrophobicContact CE2-CG1 4.17Å; F2871-V2921 HydrophobicContact CE2-CG2 3.9Å; F2871-V2921 HydrophobicContact CG-CG1 4.16Å; F2871-V2921 HydrophobicContact CZ-CB 4.16Å; F2871-V2921 HydrophobicContact CZ-CG1 4.3Å; F2871-V2921 HydrophobicContact CZ-CG2 3.66Å; F2871-T2936 HydrophobicContact CD1-CG2 3.57Å; F2871-T2936 HydrophobicContact CE1-CG2 3.47Å; F2871-T2936 VanDerWaalsContact CE1-CG2 3.45Å; F2871-L2938 HydrophobicContact CE2-CD1 4.35Å; F2871-L2938 HydrophobicContact CZ-CB 3.91Å; F2871-L2938 HydrophobicContact CZ-CD1 4Å; F2871-L2938 HydrophobicContact CZ-CG 4.42Å |
| 2872 | E | 89.4 | Confident | 84.4 | Confident | 61.6667 Ų | 61.6667 | 51.8 Ų | 51.8 | 29% | 0.288 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 142.2 | -178.9 | 65.1 | -169.9 | -165.3 | 0 | 0 | 111.1 | P2858 R2870 M2905 H2906 Y2907 | P2858-E2872 WeakPolarHBondContact CA-O 3.36Å; R2870-E2872 IonicContact CZ-OE2 2.72Å; R2870-E2872 IonicContact NE-OE2 2.67Å; R2870-E2872 PolarHBondContact NE-OE2 2.86Å; R2870-E2872 IonicContact NH2-OE2 3.6Å; R2870-E2872 PolarHBondContact NH2-OE2 2.82Å; E2872-M2905 HydrophobicContact CB-CE 4.05Å; E2872-M2905 HydrophobicContact CG-CE 3.92Å; E2872-H2906 CarbonylContact C-O 3.53Å; E2872-H2906 VanDerWaalsContact CA-O 3.29Å; E2872-H2906 WeakPolarHBondContact CA-O 3.22Å; E2872-Y2907 HydrophobicContact CB-CD1 3.54Å; E2872-Y2907 HydrophobicContact CB-CE1 3.69Å |
| 2873 | C | 87.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 153 | 176.6 | 68.7 | 0 | 0 | 0 | 0 | 112.8 | F2854 I2856 W2885 M2905 H2906 C2923 | F2854-C2873 HydrophobicContact CD1-CB 4.11Å; F2854-C2873 HydrophobicContact CE1-CB 4.08Å; I2856-C2873 CarbonylContact O-C 3.47Å; I2856-C2873 WeakPolarHBondContact O-CA 3.34Å; I2856-C2873 WeakPolarHBondContact O-CB 3.27Å; C2873-W2885 HydrophobicContact CB-CH2 4.3Å; C2873-W2885 HydrophobicContact CB-CZ2 4.36Å; C2873-W2885 VanDerWaalsContact SG-CZ2 3.54Å; C2873-W2885 WeakPolarHBondContact SG-CZ2 3.34Å; C2873-M2905 VanDerWaalsContact C-SD 3.53Å; C2873-M2905 CarbonylContact O-C 3.53Å; C2873-M2905 WeakPolarHBondContact O-CA 3.45Å; C2873-M2905 VanDerWaalsContact O-CB 3.32Å; C2873-M2905 WeakPolarHBondContact O-CB 3.41Å; C2873-M2905 VanDerWaalsContact O-SD 3.38Å; C2873-H2906 PolarHBondContact N-O 3.04Å; C2873-H2906 PolarHBondContact O-N 3.1Å; C2873-C2923 PolarHBondContact SG-SG 3.12Å |
| 2874 | A | 83.1 | Confident | 84.5 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 138.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L2776 F2854 T2855 I2856 M2905 | L2776-A2874 HydrophobicContact CD1-CB 4.22Å; L2776-A2874 HydrophobicContact CD2-CB 3.65Å; L2776-A2874 HydrophobicContact CG-CB 4.24Å; F2854-A2874 CarbonylContact C-O 3.46Å; F2854-A2874 VanDerWaalsContact CA-O 3.31Å; F2854-A2874 WeakPolarHBondContact CA-O 3.3Å; T2855-A2874 PolarHBondContact N-O 2.98Å; T2855-A2874 VanDerWaalsContact N-O 3.17Å; T2855-A2874 VanDerWaalsContact OG1-CB 3.28Å; T2855-A2874 WeakPolarHBondContact OG1-CB 3.28Å; T2855-A2874 PolarHBondContact OG1-O 2.89Å; I2856-A2874 HydrophobicContact CB-CB 3.8Å; I2856-A2874 HydrophobicContact CD1-CB 4.18Å; I2856-A2874 HydrophobicContact CG1-CB 3.94Å; I2856-A2874 PolarHBondContact N-O 3.47Å; I2856-A2874 PolarHBondContact O-N 3.13Å; A2874-M2905 VanDerWaalsContact CA-SD 3.52Å; A2874-M2905 HydrophobicContact CB-CE 4Å; A2874-M2905 HydrophobicContact CB-CG 4.23Å; A2874-M2905 HydrophobicContact CB-SD 3.35Å; A2874-M2905 VanDerWaalsContact CB-SD 3.57Å; A2874-M2905 WeakPolarHBondContact CB-SD 3.33Å; A2874-M2905 PolarHBondContact N-SD 3.48Å |
| 2875 | V | 84 | Confident | 85 | Confident | 20 Ų | 20 | 47.6 Ų | 47.6 | 12% | 0.121 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 127.3 | 177.8 | -179.5 | 0 | 0 | 0 | 0 | 109 | P2852 V2853 F2854 A2881 V2883 A2925 | P2852-V2875 HydrophobicContact CB-CG1 3.94Å; V2853-V2875 WeakPolarHBondContact O-CA 3.35Å; F2854-V2875 HydrophobicContact CD1-CG2 3.65Å; F2854-V2875 HydrophobicContact CE1-CG2 3.48Å; F2854-V2875 VanDerWaalsContact CE1-CG2 3.46Å; F2854-V2875 HydrophobicContact CG-CG2 4.42Å; F2854-V2875 HydrophobicContact CZ-CG2 4.12Å; V2875-A2881 HydrophobicContact CG1-CB 4.02Å; V2875-V2883 HydrophobicContact CB-CG2 4.37Å; V2875-V2883 HydrophobicContact CG2-CG2 3.9Å; V2875-A2925 HydrophobicContact CB-CB 4.36Å; V2875-A2925 HydrophobicContact CG1-CB 3.69Å; V2875-A2925 HydrophobicContact CG2-CB 3.9Å |
| 2876 | V | 81.9 | Confident | 85.5 | Confident | 45.3333 Ų | 45.3333 | 47.1 Ų | 47.1 | 28% | 0.275 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 130.6 | 171.9 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | E2724 P2777 P2852 V2853 T2855 | E2724-V2876 WeakPolarHBondContact OE1-CG2 3.44Å; P2777-V2876 HydrophobicContact CB-CG1 4.02Å; P2777-V2876 HydrophobicContact CB-CG2 4.18Å; P2777-V2876 VanDerWaalsContact CD-CG2 3.45Å; P2777-V2876 HydrophobicContact CG-CB 4.46Å; P2777-V2876 HydrophobicContact CG-CG1 4Å; P2777-V2876 HydrophobicContact CG-CG2 3.63Å; P2852-V2876 WeakPolarHBondContact CA-O 3.28Å; V2853-V2876 PolarHBondContact N-O 2.92Å; V2853-V2876 PolarHBondContact O-N 2.92Å; T2855-V2876 HydrophobicContact CG2-CB 4.25Å; T2855-V2876 HydrophobicContact CG2-CG2 3.73Å |
| 2877 | S | 80 | Confident | 86.1 | Confident | 2.66667 Ų | 2.66667 | 43.1 Ų | 43.1 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 145.2 | 179.6 | 74.1 | 0 | 0 | 0 | 0 | 111.5 | P2879 L2880 A2881 N2927 | S2877-P2879 CarbonylContact C-O 3.53Å; S2877-P2879 VanDerWaalsContact C-O 3.23Å; S2877-P2879 WeakPolarHBondContact CB-O 3.36Å; S2877-P2879 CarbonylContact O-C 3.51Å; S2877-P2879 VanDerWaalsContact O-C 3.32Å; S2877-P2879 PolarHBondContact OG-O 2.87Å; S2877-P2879 VanDerWaalsContact OG-O 3.1Å; S2877-L2880 PolarHBondContact O-N 2.96Å; S2877-L2880 VanDerWaalsContact OG-CA 3.31Å; S2877-L2880 WeakPolarHBondContact OG-CA 3.38Å; S2877-A2881 VanDerWaalsContact OG-CB 3.29Å; S2877-A2881 WeakPolarHBondContact OG-CB 3.35Å; S2877-A2881 PolarHBondContact OG-N 3.05Å; S2877-N2927 WeakPolarHBondContact CB-ND2 3.38Å |
| 2878 | H | 74.7 | Confident | 86.3 | Confident | 57.6667 Ų | 57.6667 | 42.7 Ų | 42.7 | 27% | 0.267 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 115.1 | 170.2 | -82.6 | -66.5 | 0 | 0 | 0 | 110.6 | F2842 E2847 K2849 S2850 | F2842-H2878 AromaticContact CD2-CE1 3.81Å; F2842-H2878 AromaticContact CE1-CE1 3.74Å; F2842-H2878 AromaticContact CE2-CE1 3.42Å; F2842-H2878 VanDerWaalsContact CE2-CE1 3.42Å; F2842-H2878 WeakPolarHBondContact CE2-CE1 3.18Å; F2842-H2878 AromaticContact CZ-CE1 3.37Å; F2842-H2878 WeakPolarHBondContact CZ-CE1 3.31Å; F2842-H2878 AromaticContact CZ-NE2 3.69Å; E2847-H2878 IonicContact OE2-CD2 2.92Å; E2847-H2878 PolarHBondContact OE2-CD2 2.63Å; E2847-H2878 IonicContact OE2-CE1 2.92Å; E2847-H2878 PolarHBondContact OE2-CE1 3.07Å; E2847-H2878 IonicContact OE2-CG 2.65Å; E2847-H2878 IonicContact OE2-ND1 2.67Å; E2847-H2878 PolarHBondContact OE2-ND1 3.23Å; E2847-H2878 IonicContact OE2-NE2 3.32Å; E2847-H2878 PolarHBondContact OE2-NE2 2.85Å; K2849-H2878 CarbonylContact C-O 3.55Å; K2849-H2878 VanDerWaalsContact CA-O 3.29Å; K2849-H2878 WeakPolarHBondContact CA-O 3.34Å; S2850-H2878 PolarHBondContact N-O 2.79Å; S2850-H2878 PolarHBondContact O-N 3.1Å; S2850-H2878 VanDerWaalsContact O-O 3.12Å; S2850-H2878 PolarHBondContact OG-N 3.06Å |
| 2879 | P | 78.4 | Confident | 86.1 | Confident | 61.6667 Ų | 61.6667 | 42.1 Ų | 42.1 | 40% | 0.4 | 23% | 0.23 | S | C | . | . | S | Bend | cis | -66.3 | 166.9 | -3.1 | 28.7 | -33.8 | 0 | 0 | 0 | 112.8 | S2877 A2881 N2927 S2928 | S2877-P2879 CarbonylContact C-O 3.53Å; S2877-P2879 VanDerWaalsContact C-O 3.23Å; S2877-P2879 WeakPolarHBondContact CB-O 3.36Å; S2877-P2879 CarbonylContact O-C 3.51Å; S2877-P2879 VanDerWaalsContact O-C 3.32Å; S2877-P2879 PolarHBondContact OG-O 2.87Å; S2877-P2879 VanDerWaalsContact OG-O 3.1Å; P2879-A2881 PolarHBondContact O-N 2.95Å; P2879-N2927 HydrophobicContact CG-CB 4.41Å; P2879-N2927 VanDerWaalsContact O-CB 3.28Å; P2879-N2927 WeakPolarHBondContact O-CB 3.32Å; P2879-N2927 PolarHBondContact O-ND2 3.07Å; P2879-S2928 VanDerWaalsContact CD-OG 3.31Å; P2879-S2928 WeakPolarHBondContact CD-OG 3.41Å; P2879-S2928 VanDerWaalsContact CG-OG 3.23Å; P2879-S2928 WeakPolarHBondContact CG-OG 3.33Å |
| 2880 | L | 75.4 | Confident | 85.9 | Confident | 116.667 Ų | 116.667 | 49 Ų | 49 | 61% | 0.611 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 140.4 | 179.3 | -68.9 | 171.7 | 0 | 0 | 0 | 112.1 | V2778 F2838 S2877 | V2778-L2880 HydrophobicContact CG2-CD2 4.47Å; F2838-L2880 HydrophobicContact CD1-CD1 4.42Å; S2877-L2880 PolarHBondContact O-N 2.96Å; S2877-L2880 VanDerWaalsContact OG-CA 3.31Å; S2877-L2880 WeakPolarHBondContact OG-CA 3.38Å |
| 2881 | A | 82.7 | Confident | 85.9 | Confident | 16 Ų | 16 | 50.1 Ų | 50.1 | 13% | 0.132 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -90 | 137.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P2852 V2875 S2877 P2879 V2883 A2925 K2926 N2927 | P2852-A2881 HydrophobicContact CB-CB 3.89Å; P2852-A2881 HydrophobicContact CG-CB 3.78Å; V2875-A2881 HydrophobicContact CG1-CB 4.02Å; S2877-A2881 VanDerWaalsContact OG-CB 3.29Å; S2877-A2881 WeakPolarHBondContact OG-CB 3.35Å; S2877-A2881 PolarHBondContact OG-N 3.05Å; P2879-A2881 PolarHBondContact O-N 2.95Å; A2881-V2883 PolarHBondContact O-N 2.87Å; A2881-A2925 HydrophobicContact CB-CB 4.11Å; A2881-K2926 CarbonylContact C-O 3.54Å; A2881-K2926 WeakPolarHBondContact CA-O 3.35Å; A2881-N2927 HydrophobicContact CB-CB 4.13Å |
| 2882 | K | 85.1 | Confident | 85.7 | Confident | 173 Ų | 173 | 50.1 Ų | 50.1 | 75% | 0.752 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 120.1 | 165.2 | -174.1 | 173.8 | -177 | 175.9 | 0 | 108.5 | A2925 K2926 | K2882-A2925 WeakPolarHBondContact O-CA 3.26Å; K2882-K2926 PolarHBondContact N-O 3.32Å; K2882-K2926 PolarHBondContact O-N 2.87Å |
| 2883 | V | 89.7 | Confident | 85.5 | Confident | 27.6667 Ų | 27.6667 | 51.2 Ų | 51.2 | 17% | 0.168 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 131.1 | 178.3 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | V2875 A2881 H2906 C2923 I2924 A2925 | V2875-V2883 HydrophobicContact CB-CG2 4.37Å; V2875-V2883 HydrophobicContact CG2-CG2 3.9Å; A2881-V2883 PolarHBondContact O-N 2.87Å; V2883-H2906 HydrophobicContact CB-CB 4.43Å; V2883-H2906 HydrophobicContact CG1-CB 4.07Å; V2883-H2906 VanDerWaalsContact CG2-CD2 3.46Å; V2883-H2906 WeakPolarHBondContact CG2-CD2 3.16Å; V2883-H2906 VanDerWaalsContact CG2-CE1 3.5Å; V2883-H2906 WeakPolarHBondContact CG2-CE1 3.31Å; V2883-H2906 VanDerWaalsContact CG2-NE2 3.32Å; V2883-H2906 WeakPolarHBondContact CG2-NE2 3.32Å; V2883-C2923 WeakPolarHBondContact CG1-SG 3.36Å; V2883-I2924 CarbonylContact C-O 3.56Å; V2883-I2924 VanDerWaalsContact CA-O 3.29Å; V2883-I2924 WeakPolarHBondContact CA-O 3.31Å; V2883-A2925 HydrophobicContact CG2-CB 3.99Å |
| 2884 | S | 90.6 | Very high | 85.1 | Confident | 28.3333 Ų | 28.3333 | 55.7 Ų | 55.7 | 20% | 0.198 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 144.3 | 175.3 | 50.4 | 0 | 0 | 0 | 0 | 110.7 | C2923 I2924 | S2884-C2923 CarbonylContact O-C 3.56Å; S2884-C2923 WeakPolarHBondContact O-CA 3.38Å; S2884-I2924 PolarHBondContact N-O 3.02Å; S2884-I2924 PolarHBondContact O-N 2.95Å; S2884-I2924 PolarHBondContact OG-O 2.8Å |
| 2885 | W | 92.8 | Very high | 84.7 | Confident | 3.66667 Ų | 3.66667 | 57.8 Ų | 57.8 | 1% | 0.014 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 146.7 | 178.8 | -66.7 | 82.4 | 0 | 0 | 0 | 110.8 | P2858 F2871 C2873 Q2891 A2892 L2900 H2906 L2908 V2921 V2922 C2923 | P2858-W2885 HydrophobicContact CB-CH2 3.84Å; P2858-W2885 HydrophobicContact CB-CZ3 3.85Å; P2858-W2885 HydrophobicContact CG-CH2 4.35Å; P2858-W2885 HydrophobicContact CG-CZ3 4.16Å; F2871-W2885 HydrophobicContact CB-CE3 4.37Å; F2871-W2885 HydrophobicContact CB-CH2 3.55Å; F2871-W2885 HydrophobicContact CB-CZ2 4.45Å; F2871-W2885 HydrophobicContact CB-CZ3 3.48Å; F2871-W2885 VanDerWaalsContact CB-CZ3 3.46Å; F2871-W2885 HydrophobicContact CG-CZ3 4.21Å; C2873-W2885 HydrophobicContact CB-CH2 4.3Å; C2873-W2885 HydrophobicContact CB-CZ2 4.36Å; C2873-W2885 VanDerWaalsContact SG-CZ2 3.54Å; C2873-W2885 WeakPolarHBondContact SG-CZ2 3.34Å; W2885-Q2891 CarbonylContact O-C 3.53Å; W2885-Q2891 WeakPolarHBondContact O-CA 3.35Å; W2885-Q2891 WeakPolarHBondContact O-CG 3.2Å; W2885-A2892 HydrophobicContact CB-CB 4.19Å; W2885-A2892 PolarHBondContact O-N 2.95Å; W2885-L2900 HydrophobicContact CB-CD2 4.38Å; W2885-L2900 HydrophobicContact CG-CD2 4.03Å; W2885-H2906 HydrophobicContact CZ2-CB 4.47Å; W2885-L2908 HydrophobicContact CB-CB 4.43Å; W2885-L2908 HydrophobicContact CB-CD1 4.43Å; W2885-L2908 HydrophobicContact CB-CD2 3.98Å; W2885-L2908 HydrophobicContact CB-CG 4.48Å; W2885-L2908 HydrophobicContact CD2-CB 3.6Å; W2885-L2908 HydrophobicContact CD2-CD2 4.01Å; W2885-L2908 HydrophobicContact CD2-CG 4.4Å; W2885-L2908 HydrophobicContact CE3-CB 3.93Å; W2885-L2908 HydrophobicContact CE3-CD2 3.77Å; W2885-L2908 HydrophobicContact CE3-CG 4.49Å; W2885-L2908 HydrophobicContact CG-CB 3.86Å; W2885-L2908 HydrophobicContact CG-CD2 4.14Å; W2885-L2908 HydrophobicContact CG-CG 4.41Å; W2885-L2908 HydrophobicContact CH2-CB 4.48Å; W2885-L2908 HydrophobicContact CZ2-CB 4.24Å; W2885-L2908 HydrophobicContact CZ3-CB 4.38Å; W2885-L2908 HydrophobicContact CZ3-CD2 4.48Å; W2885-V2921 HydrophobicContact CE3-CG1 3.86Å; W2885-V2921 HydrophobicContact CZ3-CG1 4.08Å; W2885-V2922 CarbonylContact C-O 3.57Å; W2885-V2922 WeakPolarHBondContact CA-O 3.27Å; W2885-C2923 HydrophobicContact CD2-CB 4.09Å; W2885-C2923 HydrophobicContact CE3-CB 3.84Å; W2885-C2923 HydrophobicContact CH2-CB 4.19Å; W2885-C2923 HydrophobicContact CZ2-CB 4.41Å; W2885-C2923 HydrophobicContact CZ3-CB 3.89Å |
| 2886 | F | 93.2 | Very high | 84.2 | Confident | 45.6667 Ų | 45.6667 | 61.1 Ų | 61.1 | 20% | 0.2 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 140.3 | 175.8 | -62.3 | -105.9 | 0 | 0 | 0 | 109.4 | K2890 Q2891 V2921 V2922 I2924 | F2886-K2890 CarbonylContact C-O 3.45Å; F2886-K2890 WeakPolarHBondContact CA-O 3.31Å; F2886-Q2891 HydrophobicContact CD1-CB 3.84Å; F2886-Q2891 HydrophobicContact CD1-CG 4.3Å; F2886-Q2891 HydrophobicContact CE1-CB 3.63Å; F2886-Q2891 HydrophobicContact CE1-CG 4.02Å; F2886-Q2891 HydrophobicContact CE2-CG 4.44Å; F2886-Q2891 HydrophobicContact CG-CB 4.5Å; F2886-Q2891 HydrophobicContact CZ-CB 4.17Å; F2886-Q2891 HydrophobicContact CZ-CG 4.04Å; F2886-V2921 CarbonylContact O-C 3.48Å; F2886-V2921 WeakPolarHBondContact O-CA 3.31Å; F2886-V2922 HydrophobicContact CB-CB 4.25Å; F2886-V2922 PolarHBondContact N-O 3.06Å; F2886-V2922 PolarHBondContact O-N 2.81Å; F2886-I2924 HydrophobicContact CD2-CD1 3.95Å; F2886-I2924 HydrophobicContact CD2-CG1 4.19Å; F2886-I2924 HydrophobicContact CE2-CB 4.41Å; F2886-I2924 HydrophobicContact CE2-CD1 3.6Å; F2886-I2924 HydrophobicContact CE2-CG1 4.07Å; F2886-I2924 HydrophobicContact CZ-CD1 4.31Å |
| 2887 | I | 91.6 | Very high | 84.4 | Confident | 5.66667 Ų | 5.66667 | 61.9 Ų | 61.9 | 3% | 0.029 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 119.2 | 175.3 | -58.1 | 161.2 | 0 | 0 | 0 | 106.3 | G2889 K2890 A2892 Y2898 L2908 I2910 E2917 V2921 | I2887-G2889 PolarHBondContact O-N 3.04Å; I2887-G2889 VanDerWaalsContact O-N 3.16Å; I2887-K2890 PolarHBondContact N-O 2.96Å; I2887-K2890 WeakPolarHBondContact O-CB 3.25Å; I2887-K2890 PolarHBondContact O-N 3.02Å; I2887-A2892 HydrophobicContact CD1-CB 4.21Å; I2887-Y2898 HydrophobicContact CD1-CD1 3.84Å; I2887-Y2898 HydrophobicContact CD1-CE1 3.27Å; I2887-L2908 HydrophobicContact CD1-CD2 4.16Å; I2887-L2908 HydrophobicContact CG1-CD2 4.16Å; I2887-I2910 HydrophobicContact CD1-CD1 3.62Å; I2887-I2910 HydrophobicContact CD1-CG1 4.06Å; I2887-I2910 HydrophobicContact CG1-CD1 4.31Å; I2887-E2917 HydrophobicContact CG2-CB 4.3Å; I2887-V2921 HydrophobicContact CG1-CG2 4.36Å; I2887-V2921 HydrophobicContact CG2-CG2 4.48Å |
| 2888 | N | 89 | Confident | 84.8 | Confident | 67 Ų | 67 | 64.1 Ų | 64.1 | 36% | 0.358 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 43 | -176.7 | -66.2 | -26.9 | 0 | 0 | 0 | 113 | K2890 Q2916 E2917 A2918 G2919 E2920 | N2888-K2890 VanDerWaalsContact C-N 3.25Å; N2888-K2890 PolarHBondContact O-N 3.01Å; N2888-Q2916 PolarHBondContact ND2-O 2.82Å; N2888-Q2916 VanDerWaalsContact ND2-O 3.16Å; N2888-E2917 PolarHBondContact ND2-O 3.2Å; N2888-A2918 PolarHBondContact ND2-O 2.93Å; N2888-A2918 PolarHBondContact OD1-O 2.81Å; N2888-G2919 VanDerWaalsContact OD1-C 3.27Å; N2888-G2919 VanDerWaalsContact OD1-CA 3.25Å; N2888-G2919 WeakPolarHBondContact OD1-CA 3.42Å; N2888-E2920 PolarHBondContact N-O 3Å; N2888-E2920 PolarHBondContact OD1-N 3.24Å |
| 2889 | G | 83.7 | Confident | 85.3 | Confident | 63.6667 Ų | 63.6667 | 67.2 Ų | 67.2 | 66% | 0.656 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | -7.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | I2887 | I2887-G2889 PolarHBondContact O-N 3.04Å; I2887-G2889 VanDerWaalsContact O-N 3.16Å |
| 2890 | K | 86.9 | Confident | 85.6 | Confident | 144 Ų | 144 | 67 Ų | 67 | 63% | 0.626 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 130 | 177.1 | -61.8 | 179.6 | 175.6 | -166.3 | 0 | 110.5 | F2388 F2886 I2887 N2888 A2892 | F2388-K2890 HydrophobicContact CE1-CD 3.46Å; F2388-K2890 VanDerWaalsContact CE1-CD 3.46Å; F2388-K2890 HydrophobicContact CE1-CG 3.57Å; F2388-K2890 HydrophobicContact CE2-CD 4.15Å; F2388-K2890 VanDerWaalsContact CE2-NZ 3.32Å; F2388-K2890 HydrophobicContact CZ-CB 4.09Å; F2388-K2890 HydrophobicContact CZ-CD 3.14Å; F2388-K2890 HydrophobicContact CZ-CG 3.51Å; F2886-K2890 CarbonylContact C-O 3.45Å; F2886-K2890 WeakPolarHBondContact CA-O 3.31Å; I2887-K2890 PolarHBondContact N-O 2.96Å; I2887-K2890 WeakPolarHBondContact O-CB 3.25Å; I2887-K2890 PolarHBondContact O-N 3.02Å; N2888-K2890 VanDerWaalsContact C-N 3.25Å; N2888-K2890 PolarHBondContact O-N 3.01Å; K2890-A2892 PolarHBondContact O-N 2.97Å |
| 2891 | Q | 91.8 | Very high | 85.5 | Confident | 109 Ų | 109 | 63.6 Ų | 63.6 | 51% | 0.509 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 128.2 | 179 | -167.8 | 179.2 | -25 | 0 | 0 | 110.7 | W2885 F2886 V2893 | W2885-Q2891 CarbonylContact O-C 3.53Å; W2885-Q2891 WeakPolarHBondContact O-CA 3.35Å; W2885-Q2891 WeakPolarHBondContact O-CG 3.2Å; F2886-Q2891 HydrophobicContact CD1-CB 3.84Å; F2886-Q2891 HydrophobicContact CD1-CG 4.3Å; F2886-Q2891 HydrophobicContact CE1-CB 3.63Å; F2886-Q2891 HydrophobicContact CE1-CG 4.02Å; F2886-Q2891 HydrophobicContact CE2-CG 4.44Å; F2886-Q2891 HydrophobicContact CG-CB 4.5Å; F2886-Q2891 HydrophobicContact CZ-CB 4.17Å; F2886-Q2891 HydrophobicContact CZ-CG 4.04Å; Q2891-V2893 PolarHBondContact O-N 3Å |
| 2892 | A | 87.9 | Confident | 85.2 | Confident | 2.33333 Ų | 2.33333 | 68.4 Ų | 68.4 | 2% | 0.019 | 37% | 0.372 | C | S | . | . | trans | -75.3 | 114.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | W2885 I2887 K2890 Y2898 L2900 L2908 | W2885-A2892 HydrophobicContact CB-CB 4.19Å; W2885-A2892 PolarHBondContact O-N 2.95Å; I2887-A2892 HydrophobicContact CD1-CB 4.21Å; K2890-A2892 PolarHBondContact O-N 2.97Å; A2892-Y2898 HydrophobicContact CB-CD1 4.44Å; A2892-Y2898 HydrophobicContact CB-CD2 3.98Å; A2892-Y2898 HydrophobicContact CB-CE2 4.4Å; A2892-Y2898 HydrophobicContact CB-CG 3.99Å; A2892-L2900 WeakPolarHBondContact O-CD1 3.43Å; A2892-L2908 HydrophobicContact CB-CD1 3.78Å | ||
| 2893 | V | 85.2 | Confident | 84 | Confident | 84 Ų | 84 | 61.5 Ų | 61.5 | 51% | 0.509 | 34% | 0.344 | S | S | . | . | trans | -102.2 | 139.6 | 178.8 | -178.4 | 0 | 0 | 0 | 0 | 109 | Q2891 G2895 | Q2891-V2893 PolarHBondContact O-N 3Å; V2893-G2895 PolarHBondContact O-N 2.97Å | ||
| 2894 | P | 78.9 | Confident | 82.7 | Confident | 94 Ų | 94 | 60.6 Ų | 60.6 | 61% | 0.61 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -56.1 | 131 | 179.8 | -19.3 | 27.9 | 0 | 0 | 0 | 112.3 | Y2898 L2900 | P2894-Y2898 CarbonylContact C-O 3.54Å; P2894-Y2898 WeakPolarHBondContact CA-O 3.35Å; P2894-L2900 HydrophobicContact CB-CD1 4.41Å; P2894-L2900 HydrophobicContact CG-CB 4.37Å; P2894-L2900 HydrophobicContact CG-CD1 3.74Å; P2894-L2900 HydrophobicContact CG-CG 4.46Å |
| 2895 | G | 75.3 | Confident | 81.9 | Confident | 45.6667 Ų | 45.6667 | 59.3 Ų | 59.3 | 47% | 0.471 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -178 | -164.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | V2893 K2897 Y2898 | V2893-G2895 PolarHBondContact O-N 2.97Å; G2895-K2897 VanDerWaalsContact C-N 3.3Å; G2895-K2897 PolarHBondContact O-N 3.02Å; G2895-Y2898 PolarHBondContact N-O 3.25Å; G2895-Y2898 CarbonylContact O-C 3.51Å; G2895-Y2898 PolarHBondContact O-N 3.46Å; G2895-Y2898 VanDerWaalsContact O-O 3.1Å |
| 2896 | S | 73 | Confident | 81.5 | Confident | 89.3333 Ų | 89.3333 | 60.7 Ų | 60.7 | 63% | 0.625 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -64.1 | -32.1 | 177.5 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | S2516 S2517 N2911 | S2516-S2896 VanDerWaalsContact C-OG 3.32Å; S2517-S2896 PolarHBondContact N-OG 2.88Å; S2896-N2911 PolarHBondContact O-ND2 2.94Å |
| 2897 | K | 85.6 | Confident | 81.2 | Confident | 62.3333 Ų | 62.3333 | 58.7 Ų | 58.7 | 27% | 0.271 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -81.5 | -46.6 | 179.4 | -170.8 | 93.4 | -171.7 | 175.1 | 0 | 113.2 | G2895 I2910 N2911 R2912 E2917 | G2895-K2897 VanDerWaalsContact C-N 3.3Å; G2895-K2897 PolarHBondContact O-N 3.02Å; K2897-I2910 WeakPolarHBondContact O-CA 3.25Å; K2897-N2911 WeakPolarHBondContact CD-O 3.3Å; K2897-N2911 WeakPolarHBondContact CE-O 3.37Å; K2897-N2911 PolarHBondContact NZ-O 2.77Å; K2897-N2911 PolarHBondContact O-N 2.79Å; K2897-R2912 PolarHBondContact NZ-O 3.01Å; K2897-E2917 VanDerWaalsContact CE-CD 3.47Å; K2897-E2917 WeakPolarHBondContact CE-OE1 3.34Å; K2897-E2917 VanDerWaalsContact CE-OE2 3.25Å; K2897-E2917 WeakPolarHBondContact CE-OE2 3.38Å; K2897-E2917 VanDerWaalsContact NZ-CD 3.34Å; K2897-E2917 IonicContact NZ-OE1 2.92Å; K2897-E2917 PolarHBondContact NZ-OE1 2.95Å; K2897-E2917 IonicContact NZ-OE2 3.09Å; K2897-E2917 PolarHBondContact NZ-OE2 3.17Å |
| 2898 | Y | 90.1 | Very high | 81.3 | Confident | 48.3333 Ų | 48.3333 | 58.4 Ų | 58.4 | 19% | 0.19 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 115.4 | -178.9 | -49.9 | -56.5 | 0 | 0 | 0 | 111 | I2887 A2892 P2894 G2895 L2908 I2909 I2910 E2917 | I2887-Y2898 HydrophobicContact CD1-CD1 3.84Å; I2887-Y2898 HydrophobicContact CD1-CE1 3.27Å; A2892-Y2898 HydrophobicContact CB-CD1 4.44Å; A2892-Y2898 HydrophobicContact CB-CD2 3.98Å; A2892-Y2898 HydrophobicContact CB-CE2 4.4Å; A2892-Y2898 HydrophobicContact CB-CG 3.99Å; P2894-Y2898 CarbonylContact C-O 3.54Å; P2894-Y2898 WeakPolarHBondContact CA-O 3.35Å; G2895-Y2898 PolarHBondContact N-O 3.25Å; G2895-Y2898 CarbonylContact O-C 3.51Å; G2895-Y2898 PolarHBondContact O-N 3.46Å; G2895-Y2898 VanDerWaalsContact O-O 3.1Å; Y2898-L2908 HydrophobicContact CD1-CD1 4.34Å; Y2898-L2908 HydrophobicContact CG-CD1 4.46Å; Y2898-I2909 CarbonylContact C-O 3.44Å; Y2898-I2909 WeakPolarHBondContact CA-O 3.42Å; Y2898-I2910 HydrophobicContact CD1-CB 4.42Å; Y2898-I2910 HydrophobicContact CD1-CG1 3.99Å; Y2898-I2910 HydrophobicContact CD1-CG2 4.19Å; Y2898-I2910 HydrophobicContact CE1-CG1 4.19Å; Y2898-I2910 HydrophobicContact CE1-CG2 4.02Å; Y2898-E2917 VanDerWaalsContact CE1-OE1 3.28Å; Y2898-E2917 WeakPolarHBondContact CE1-OE1 3.38Å; Y2898-E2917 PolarHBondContact OH-OE1 3.01Å |
| 2899 | K | 83.5 | Confident | 81.4 | Confident | 123.333 Ų | 123.333 | 56.5 Ų | 56.5 | 54% | 0.536 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 111.3 | 172.6 | -178.4 | 175.4 | -176.3 | 175.7 | 0 | 109.4 | I2909 | K2899-I2909 HydrophobicContact CB-CB 4.2Å; K2899-I2909 HydrophobicContact CD-CD1 4.49Å; K2899-I2909 PolarHBondContact N-O 3.08Å; K2899-I2909 PolarHBondContact O-N 3.05Å |
| 2900 | L | 85.5 | Confident | 81.8 | Confident | 57 Ų | 57 | 53.5 Ų | 53.5 | 30% | 0.298 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 130.3 | 174.7 | -70.8 | 162.2 | 0 | 0 | 0 | 109 | W2885 A2892 P2894 Y2907 L2908 | W2885-L2900 HydrophobicContact CB-CD2 4.38Å; W2885-L2900 HydrophobicContact CG-CD2 4.03Å; A2892-L2900 WeakPolarHBondContact O-CD1 3.43Å; P2894-L2900 HydrophobicContact CB-CD1 4.41Å; P2894-L2900 HydrophobicContact CG-CB 4.37Å; P2894-L2900 HydrophobicContact CG-CD1 3.74Å; P2894-L2900 HydrophobicContact CG-CG 4.46Å; L2900-Y2907 WeakPolarHBondContact CA-O 3.35Å; L2900-Y2907 WeakPolarHBondContact CD2-O 3.4Å; L2900-L2908 HydrophobicContact CD2-CB 4.2Å; L2900-L2908 HydrophobicContact CD2-CD1 3.97Å; L2900-L2908 HydrophobicContact CG-CD1 4.48Å |
| 2901 | S | 73.8 | Confident | 81.8 | Confident | 46.3333 Ų | 46.3333 | 49.4 Ų | 49.4 | 32% | 0.324 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 158 | 178.6 | 55.9 | 0 | 0 | 0 | 0 | 111.8 | Y2907 | S2901-Y2907 PolarHBondContact N-O 2.99Å; S2901-Y2907 VanDerWaalsContact N-O 3.15Å; S2901-Y2907 PolarHBondContact O-N 2.99Å; S2901-Y2907 WeakPolarHBondContact OG-CD2 3.29Å |
| 2902 | Y | 75.8 | Confident | 81.5 | Confident | 116.333 Ų | 116.333 | 52.2 Ų | 52.2 | 46% | 0.456 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 124.7 | 178.7 | 177.2 | -107.6 | 0 | 0 | 0 | 110.6 | G2904 M2905 H2906 | Y2902-G2904 VanDerWaalsContact CE2-C 3.46Å; Y2902-G2904 WeakPolarHBondContact CE2-O 3.42Å; Y2902-M2905 CarbonylContact C-O 3.58Å; Y2902-M2905 VanDerWaalsContact CA-O 3.25Å; Y2902-M2905 WeakPolarHBondContact CA-O 3.27Å; Y2902-M2905 VanDerWaalsContact CD2-O 3.28Å; Y2902-M2905 WeakPolarHBondContact CD2-O 3.28Å; Y2902-H2906 AromaticContact CD2-CD2 3.87Å; Y2902-H2906 AromaticContact CD2-CE1 3.3Å; Y2902-H2906 WeakPolarHBondContact CD2-CE1 3.42Å; Y2902-H2906 AromaticContact CD2-CG 3.83Å; Y2902-H2906 AromaticContact CD2-ND1 3.47Å; Y2902-H2906 WeakPolarHBondContact CD2-ND1 3.36Å; Y2902-H2906 AromaticContact CD2-NE2 3.56Å; Y2902-H2906 AromaticContact CE2-CD2 3.89Å; Y2902-H2906 AromaticContact CE2-CE1 3.59Å; Y2902-H2906 AromaticContact CE2-NE2 3.43Å; Y2902-H2906 WeakPolarHBondContact CE2-NE2 3.24Å |
| 2903 | D | 60.5 | Low | 81.5 | Confident | 27.3333 Ų | 27.3333 | 52.1 Ų | 52.1 | 15% | 0.146 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -129.1 | 25.7 | 173 | 73.6 | -3.4 | 0 | 0 | 0 | 112.3 | H2757 R2758 M2905 Y2907 | H2757-D2903 PolarHBondContact N-OD2 3.07Å; R2758-D2903 WeakPolarHBondContact CD-OD1 3.28Å; R2758-D2903 WeakPolarHBondContact CG-OD1 3.39Å; R2758-D2903 VanDerWaalsContact CZ-O 3.28Å; R2758-D2903 PolarHBondContact N-OD2 3.24Å; R2758-D2903 PolarHBondContact NE-O 2.82Å; R2758-D2903 IonicContact NE-OD1 3.38Å; R2758-D2903 PolarHBondContact NE-OD1 2.92Å; R2758-D2903 VanDerWaalsContact NE-OD1 3.11Å; R2758-D2903 PolarHBondContact NH2-O 3.08Å; D2903-M2905 VanDerWaalsContact C-N 3.27Å; D2903-M2905 PolarHBondContact N-O 2.99Å; D2903-M2905 VanDerWaalsContact N-O 3.1Å; D2903-M2905 PolarHBondContact OD1-N 2.86Å; D2903-Y2907 HydrophobicContact CB-CE2 4.41Å; D2903-Y2907 VanDerWaalsContact CG-CE2 3.46Å; D2903-Y2907 VanDerWaalsContact CG-OH 3.29Å; D2903-Y2907 VanDerWaalsContact OD1-CE2 3.23Å; D2903-Y2907 WeakPolarHBondContact OD1-CE2 3.27Å; D2903-Y2907 PolarHBondContact OD1-OH 3.04Å; D2903-Y2907 PolarHBondContact OD2-OH 2.99Å; D2903-Y2907 VanDerWaalsContact OD2-OH 3.11Å |
| 2904 | G | 61.3 | Low | 81.6 | Confident | 9.66667 Ų | 9.66667 | 51 Ų | 51 | 10% | 0.1 | 27% | 0.265 | C | S | . | . | S | Bend | trans | 99.3 | -21.9 | -163.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R2758 L2776 Y2902 | R2758-G2904 VanDerWaalsContact NH1-CA 3.29Å; R2758-G2904 PolarHBondContact NH1-O 2.9Å; L2776-G2904 WeakPolarHBondContact CD1-O 3.38Å; Y2902-G2904 VanDerWaalsContact CE2-C 3.46Å; Y2902-G2904 WeakPolarHBondContact CE2-O 3.42Å |
| 2905 | M | 74.6 | Confident | 81.8 | Confident | 0.666667 Ų | 0.666667 | 47.8 Ų | 47.8 | 0% | 0.003 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -109 | 150.3 | 158.1 | -67 | -88.1 | -66.6 | 0 | 0 | 110.1 | Y2774 L2776 I2856 E2872 C2873 A2874 Y2902 D2903 Y2907 | Y2774-M2905 HydrophobicContact CD2-CG 4.33Å; Y2774-M2905 HydrophobicContact CD2-SD 4.11Å; Y2774-M2905 HydrophobicContact CE2-CB 4.47Å; Y2774-M2905 HydrophobicContact CE2-CE 4.18Å; Y2774-M2905 HydrophobicContact CE2-CG 3.51Å; Y2774-M2905 HydrophobicContact CE2-SD 3.65Å; Y2774-M2905 WeakPolarHBondContact CE2-SD 3.46Å; Y2774-M2905 WeakPolarHBondContact OH-CE 3.38Å; Y2774-M2905 WeakPolarHBondContact OH-CG 3.39Å; L2776-M2905 HydrophobicContact CD1-CG 4.17Å; L2776-M2905 HydrophobicContact CD1-SD 4.21Å; L2776-M2905 HydrophobicContact CD2-SD 4.49Å; I2856-M2905 HydrophobicContact CB-CE 4.17Å; I2856-M2905 HydrophobicContact CB-SD 4.12Å; I2856-M2905 HydrophobicContact CD1-CE 4.02Å; I2856-M2905 HydrophobicContact CD1-SD 3.89Å; I2856-M2905 HydrophobicContact CG1-CE 4.43Å; I2856-M2905 HydrophobicContact CG1-SD 4.38Å; I2856-M2905 HydrophobicContact CG2-CE 4Å; E2872-M2905 HydrophobicContact CB-CE 4.05Å; E2872-M2905 HydrophobicContact CG-CE 3.92Å; C2873-M2905 VanDerWaalsContact C-SD 3.53Å; C2873-M2905 CarbonylContact O-C 3.53Å; C2873-M2905 WeakPolarHBondContact O-CA 3.45Å; C2873-M2905 VanDerWaalsContact O-CB 3.32Å; C2873-M2905 WeakPolarHBondContact O-CB 3.41Å; C2873-M2905 VanDerWaalsContact O-SD 3.38Å; A2874-M2905 VanDerWaalsContact CA-SD 3.52Å; A2874-M2905 HydrophobicContact CB-CE 4Å; A2874-M2905 HydrophobicContact CB-CG 4.23Å; A2874-M2905 HydrophobicContact CB-SD 3.35Å; A2874-M2905 VanDerWaalsContact CB-SD 3.57Å; A2874-M2905 WeakPolarHBondContact CB-SD 3.33Å; A2874-M2905 PolarHBondContact N-SD 3.48Å; Y2902-M2905 CarbonylContact C-O 3.58Å; Y2902-M2905 VanDerWaalsContact CA-O 3.25Å; Y2902-M2905 WeakPolarHBondContact CA-O 3.27Å; Y2902-M2905 VanDerWaalsContact CD2-O 3.28Å; Y2902-M2905 WeakPolarHBondContact CD2-O 3.28Å; D2903-M2905 VanDerWaalsContact C-N 3.27Å; D2903-M2905 PolarHBondContact N-O 2.99Å; D2903-M2905 VanDerWaalsContact N-O 3.1Å; D2903-M2905 PolarHBondContact OD1-N 2.86Å; M2905-Y2907 HydrophobicContact CB-CD2 4.5Å; M2905-Y2907 HydrophobicContact CB-CE1 4.25Å; M2905-Y2907 HydrophobicContact CB-CE2 4.04Å; M2905-Y2907 WeakPolarHBondContact O-CE2 3.35Å |
| 2906 | H | 84.1 | Confident | 82.2 | Confident | 32.3333 Ų | 32.3333 | 52.6 Ų | 52.6 | 15% | 0.15 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 132.1 | 168.7 | -59.8 | -87.5 | 0 | 0 | 0 | 109.7 | E2872 C2873 V2883 W2885 Y2902 | E2872-H2906 CarbonylContact C-O 3.53Å; E2872-H2906 VanDerWaalsContact CA-O 3.29Å; E2872-H2906 WeakPolarHBondContact CA-O 3.22Å; C2873-H2906 PolarHBondContact N-O 3.04Å; C2873-H2906 PolarHBondContact O-N 3.1Å; V2883-H2906 HydrophobicContact CB-CB 4.43Å; V2883-H2906 HydrophobicContact CG1-CB 4.07Å; V2883-H2906 VanDerWaalsContact CG2-CD2 3.46Å; V2883-H2906 WeakPolarHBondContact CG2-CD2 3.16Å; V2883-H2906 VanDerWaalsContact CG2-CE1 3.5Å; V2883-H2906 WeakPolarHBondContact CG2-CE1 3.31Å; V2883-H2906 VanDerWaalsContact CG2-NE2 3.32Å; V2883-H2906 WeakPolarHBondContact CG2-NE2 3.32Å; W2885-H2906 HydrophobicContact CZ2-CB 4.47Å; Y2902-H2906 AromaticContact CD2-CD2 3.87Å; Y2902-H2906 AromaticContact CD2-CE1 3.3Å; Y2902-H2906 WeakPolarHBondContact CD2-CE1 3.42Å; Y2902-H2906 AromaticContact CD2-CG 3.83Å; Y2902-H2906 AromaticContact CD2-ND1 3.47Å; Y2902-H2906 WeakPolarHBondContact CD2-ND1 3.36Å; Y2902-H2906 AromaticContact CD2-NE2 3.56Å; Y2902-H2906 AromaticContact CE2-CD2 3.89Å; Y2902-H2906 AromaticContact CE2-CE1 3.59Å; Y2902-H2906 AromaticContact CE2-NE2 3.43Å; Y2902-H2906 WeakPolarHBondContact CE2-NE2 3.24Å |
| 2907 | Y | 87.2 | Confident | 82.8 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 143.1 | 174.6 | -51.7 | -85.7 | 0 | 0 | 0 | 111.4 | R2758 Y2774 F2871 E2872 L2900 S2901 D2903 M2905 | R2758-Y2907 WeakPolarHBondContact CG-OH 3.37Å; Y2774-Y2907 PolarHBondContact OH-OH 3.07Å; F2871-Y2907 CarbonylContact O-C 3.47Å; F2871-Y2907 VanDerWaalsContact O-CA 3.26Å; F2871-Y2907 WeakPolarHBondContact O-CA 3.21Å; E2872-Y2907 HydrophobicContact CB-CD1 3.54Å; E2872-Y2907 HydrophobicContact CB-CE1 3.69Å; L2900-Y2907 WeakPolarHBondContact CA-O 3.35Å; L2900-Y2907 WeakPolarHBondContact CD2-O 3.4Å; S2901-Y2907 PolarHBondContact N-O 2.99Å; S2901-Y2907 VanDerWaalsContact N-O 3.15Å; S2901-Y2907 PolarHBondContact O-N 2.99Å; S2901-Y2907 WeakPolarHBondContact OG-CD2 3.29Å; D2903-Y2907 HydrophobicContact CB-CE2 4.41Å; D2903-Y2907 VanDerWaalsContact CG-CE2 3.46Å; D2903-Y2907 VanDerWaalsContact CG-OH 3.29Å; D2903-Y2907 VanDerWaalsContact OD1-CE2 3.23Å; D2903-Y2907 WeakPolarHBondContact OD1-CE2 3.27Å; D2903-Y2907 PolarHBondContact OD1-OH 3.04Å; D2903-Y2907 PolarHBondContact OD2-OH 2.99Å; D2903-Y2907 VanDerWaalsContact OD2-OH 3.11Å; M2905-Y2907 HydrophobicContact CB-CD2 4.5Å; M2905-Y2907 HydrophobicContact CB-CE1 4.25Å; M2905-Y2907 HydrophobicContact CB-CE2 4.04Å; M2905-Y2907 WeakPolarHBondContact O-CE2 3.35Å |
| 2908 | L | 93.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 118.3 | 162.5 | 166.5 | 70.4 | 0 | 0 | 0 | 107.9 | R2870 F2871 W2885 I2887 A2892 Y2898 L2900 I2910 V2921 | R2870-L2908 CarbonylContact C-O 3.49Å; R2870-L2908 WeakPolarHBondContact CA-O 3.42Å; F2871-L2908 HydrophobicContact CB-CB 4.31Å; F2871-L2908 HydrophobicContact CD2-CD2 3.97Å; F2871-L2908 HydrophobicContact CD2-CG 4.36Å; F2871-L2908 PolarHBondContact N-O 3.33Å; F2871-L2908 PolarHBondContact O-N 2.77Å; W2885-L2908 HydrophobicContact CB-CB 4.43Å; W2885-L2908 HydrophobicContact CB-CD1 4.43Å; W2885-L2908 HydrophobicContact CB-CD2 3.98Å; W2885-L2908 HydrophobicContact CB-CG 4.48Å; W2885-L2908 HydrophobicContact CD2-CB 3.6Å; W2885-L2908 HydrophobicContact CD2-CD2 4.01Å; W2885-L2908 HydrophobicContact CD2-CG 4.4Å; W2885-L2908 HydrophobicContact CE3-CB 3.93Å; W2885-L2908 HydrophobicContact CE3-CD2 3.77Å; W2885-L2908 HydrophobicContact CE3-CG 4.49Å; W2885-L2908 HydrophobicContact CG-CB 3.86Å; W2885-L2908 HydrophobicContact CG-CD2 4.14Å; W2885-L2908 HydrophobicContact CG-CG 4.41Å; W2885-L2908 HydrophobicContact CH2-CB 4.48Å; W2885-L2908 HydrophobicContact CZ2-CB 4.24Å; W2885-L2908 HydrophobicContact CZ3-CB 4.38Å; W2885-L2908 HydrophobicContact CZ3-CD2 4.48Å; I2887-L2908 HydrophobicContact CD1-CD2 4.16Å; I2887-L2908 HydrophobicContact CG1-CD2 4.16Å; A2892-L2908 HydrophobicContact CB-CD1 3.78Å; Y2898-L2908 HydrophobicContact CD1-CD1 4.34Å; Y2898-L2908 HydrophobicContact CG-CD1 4.46Å; L2900-L2908 HydrophobicContact CD2-CB 4.2Å; L2900-L2908 HydrophobicContact CD2-CD1 3.97Å; L2900-L2908 HydrophobicContact CG-CD1 4.48Å; L2908-I2910 HydrophobicContact CD1-CG1 4.34Å; L2908-I2910 HydrophobicContact CD2-CD1 4.5Å; L2908-I2910 HydrophobicContact CD2-CG1 4.43Å; L2908-I2910 HydrophobicContact CG-CG1 4.26Å; L2908-V2921 HydrophobicContact CD2-CG1 3.95Å |
| 2909 | I | 91 | Very high | 82.8 | Confident | 27 Ų | 27 | 46.8 Ų | 46.8 | 14% | 0.138 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 122.3 | 174.8 | -58.3 | 170.4 | 0 | 0 | 0 | 108.3 | V2868 A2869 R2870 Y2898 K2899 | V2868-I2909 HydrophobicContact CG1-CG2 3.47Å; V2868-I2909 VanDerWaalsContact CG1-CG2 3.47Å; A2869-I2909 CarbonylContact O-C 3.51Å; A2869-I2909 WeakPolarHBondContact O-CA 3.12Å; R2870-I2909 HydrophobicContact CB-CG1 4.46Å; R2870-I2909 HydrophobicContact CG-CG1 4.18Å; Y2898-I2909 CarbonylContact C-O 3.44Å; Y2898-I2909 WeakPolarHBondContact CA-O 3.42Å; K2899-I2909 HydrophobicContact CB-CB 4.2Å; K2899-I2909 HydrophobicContact CD-CD1 4.49Å; K2899-I2909 PolarHBondContact N-O 3.08Å; K2899-I2909 PolarHBondContact O-N 3.05Å |
| 2910 | I | 92.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 111.5 | 175.3 | -51 | 172.6 | 0 | 0 | 0 | 107.5 | V2868 A2869 F2871 I2887 K2897 Y2898 L2908 V2913 E2917 L2938 | V2868-I2910 VanDerWaalsContact CA-O 3.23Å; V2868-I2910 WeakPolarHBondContact CA-O 3.24Å; A2869-I2910 HydrophobicContact CB-CB 4.29Å; A2869-I2910 HydrophobicContact CB-CD1 4.32Å; A2869-I2910 HydrophobicContact CB-CG1 4.49Å; A2869-I2910 PolarHBondContact N-O 2.99Å; A2869-I2910 VanDerWaalsContact N-O 3.08Å; A2869-I2910 PolarHBondContact O-N 3.11Å; F2871-I2910 HydrophobicContact CE2-CD1 4.08Å; I2887-I2910 HydrophobicContact CD1-CD1 3.62Å; I2887-I2910 HydrophobicContact CD1-CG1 4.06Å; I2887-I2910 HydrophobicContact CG1-CD1 4.31Å; K2897-I2910 WeakPolarHBondContact O-CA 3.25Å; Y2898-I2910 HydrophobicContact CD1-CB 4.42Å; Y2898-I2910 HydrophobicContact CD1-CG1 3.99Å; Y2898-I2910 HydrophobicContact CD1-CG2 4.19Å; Y2898-I2910 HydrophobicContact CE1-CG1 4.19Å; Y2898-I2910 HydrophobicContact CE1-CG2 4.02Å; L2908-I2910 HydrophobicContact CD1-CG1 4.34Å; L2908-I2910 HydrophobicContact CD2-CD1 4.5Å; L2908-I2910 HydrophobicContact CD2-CG1 4.43Å; L2908-I2910 HydrophobicContact CG-CG1 4.26Å; I2910-V2913 HydrophobicContact CB-CG2 3.89Å; I2910-V2913 HydrophobicContact CG2-CB 4.42Å; I2910-V2913 HydrophobicContact CG2-CG2 3.7Å; I2910-E2917 VanDerWaalsContact CG2-OE1 3.24Å; I2910-E2917 WeakPolarHBondContact CG2-OE1 3.39Å; I2910-E2917 WeakPolarHBondContact CG2-OE2 3.46Å; I2910-L2938 HydrophobicContact CD1-CD2 3.7Å |
| 2911 | N | 86.4 | Confident | 83.7 | Confident | 58.6667 Ų | 58.6667 | 42.7 Ų | 42.7 | 31% | 0.314 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -78.5 | 132.3 | -178.8 | -68.6 | -30 | 0 | 0 | 0 | 111.7 | V2868 S2896 K2897 V2913 | V2868-N2911 WeakPolarHBondContact CG2-O 3.47Å; S2896-N2911 PolarHBondContact O-ND2 2.94Å; K2897-N2911 WeakPolarHBondContact CD-O 3.3Å; K2897-N2911 WeakPolarHBondContact CE-O 3.37Å; K2897-N2911 PolarHBondContact NZ-O 2.77Å; K2897-N2911 PolarHBondContact O-N 2.79Å; N2911-V2913 PolarHBondContact O-N 3.47Å |
| 2912 | R | 85.5 | Confident | 84.6 | Confident | 168 Ų | 168 | 41 Ų | 41 | 63% | 0.634 | 20% | 0.203 | S | C | * | . | S | Bend | trans | 57.4 | 72.1 | 178.3 | -64.6 | -175.3 | -178.2 | 171.1 | 1.4 | 111.7 | N2866 E2867 K2897 Q2914 E3042 | N2866-R2912 WeakPolarHBondContact O-CA 3.3Å; E2867-R2912 WeakPolarHBondContact O-CA 3.02Å; E2867-R2912 PolarHBondContact O-N 2.88Å; K2897-R2912 PolarHBondContact NZ-O 3.01Å; R2912-Q2914 PolarHBondContact O-N 3.39Å; R2912-Q2914 PolarHBondContact O-NE2 2.88Å; R2912-E3042 IonicContact CZ-OE2 3.54Å; R2912-E3042 IonicContact NH1-OE2 2.68Å; R2912-E3042 PolarHBondContact NH1-OE2 3.32Å; R2912-E3042 IonicContact NH2-OE2 3.67Å; R2912-E3042 PolarHBondContact NH2-OE2 3.31Å |
| 2913 | V | 89.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -61.1 | 130.4 | -173.5 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | V2863 N2866 E2867 A2869 I2910 N2911 E2917 L2938 V2940 | V2863-V2913 HydrophobicContact CG2-CB 4.11Å; V2863-V2913 HydrophobicContact CG2-CG1 3.81Å; V2863-V2913 HydrophobicContact CG2-CG2 4.14Å; N2866-V2913 PolarHBondContact N-O 3.22Å; E2867-V2913 WeakPolarHBondContact O-CB 3.33Å; E2867-V2913 WeakPolarHBondContact O-CG2 3.37Å; E2867-V2913 PolarHBondContact O-N 3.05Å; E2867-V2913 VanDerWaalsContact O-N 3.08Å; A2869-V2913 HydrophobicContact CB-CG2 3.61Å; I2910-V2913 HydrophobicContact CB-CG2 3.89Å; I2910-V2913 HydrophobicContact CG2-CB 4.42Å; I2910-V2913 HydrophobicContact CG2-CG2 3.7Å; N2911-V2913 PolarHBondContact O-N 3.47Å; V2913-E2917 VanDerWaalsContact CA-OE2 3.27Å; V2913-E2917 WeakPolarHBondContact CA-OE2 3.39Å; V2913-L2938 HydrophobicContact CG1-CD2 4.03Å; V2913-V2940 HydrophobicContact CG1-CB 4.29Å; V2913-V2940 HydrophobicContact CG1-CG1 3.92Å; V2913-V2940 HydrophobicContact CG1-CG2 3.36Å | ||
| 2914 | Q | 86.2 | Confident | 87 | Confident | 61 Ų | 61 | 36 Ų | 36 | 29% | 0.285 | 18% | 0.184 | S | C | . | . | trans | -106.8 | 151.9 | -179.3 | -63.6 | -65 | -51.7 | 0 | 0 | 110.8 | N2866 R2912 Q2916 E2917 | N2866-Q2914 PolarHBondContact OD1-NE2 2.93Å; N2866-Q2914 VanDerWaalsContact OD1-NE2 3.16Å; R2912-Q2914 PolarHBondContact O-N 3.39Å; R2912-Q2914 PolarHBondContact O-NE2 2.88Å; Q2914-Q2916 VanDerWaalsContact CB-OE1 3.3Å; Q2914-Q2916 PolarHBondContact O-N 3.02Å; Q2914-Q2916 VanDerWaalsContact O-N 3.1Å; Q2914-E2917 HydrophobicContact CB-CG 4.4Å; Q2914-E2917 PolarHBondContact N-OE2 3.03Å; Q2914-E2917 WeakPolarHBondContact O-CB 3.42Å; Q2914-E2917 PolarHBondContact O-N 2.87Å | ||
| 2915 | P | 83.5 | Confident | 88.4 | Confident | 27 Ų | 27 | 35.6 Ų | 35.6 | 18% | 0.175 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -58.1 | -25.7 | -178.1 | -26.6 | 36 | 0 | 0 | 0 | 114.8 | E2865 E2917 A2918 R2942 | E2865-P2915 VanDerWaalsContact CD-CG 3.43Å; E2865-P2915 HydrophobicContact CG-CG 4.24Å; E2865-P2915 VanDerWaalsContact OE1-CD 3.31Å; E2865-P2915 WeakPolarHBondContact OE1-CD 3.5Å; E2865-P2915 VanDerWaalsContact OE1-CG 3.3Å; E2865-P2915 WeakPolarHBondContact OE1-CG 3.19Å; P2915-E2917 PolarHBondContact O-N 3.24Å; P2915-A2918 WeakPolarHBondContact O-CB 3.41Å; P2915-A2918 PolarHBondContact O-N 3.11Å; P2915-R2942 HydrophobicContact CB-CG 4.43Å; P2915-R2942 HydrophobicContact CG-CG 4.08Å |
| 2916 | Q | 83.3 | Confident | 89 | Confident | 145.667 Ų | 145.667 | 41.9 Ų | 41.9 | 68% | 0.681 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -73.4 | -12 | 177.7 | -55.5 | 83.6 | -2.3 | 0 | 0 | 113.5 | N2888 Q2914 A2918 | N2888-Q2916 PolarHBondContact ND2-O 2.82Å; N2888-Q2916 VanDerWaalsContact ND2-O 3.16Å; Q2914-Q2916 VanDerWaalsContact CB-OE1 3.3Å; Q2914-Q2916 PolarHBondContact O-N 3.02Å; Q2914-Q2916 VanDerWaalsContact O-N 3.1Å; Q2916-A2918 VanDerWaalsContact C-N 3.34Å |
| 2917 | E | 85.2 | Confident | 89 | Confident | 12.6667 Ų | 12.6667 | 41.2 Ų | 41.2 | 6% | 0.059 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -89.4 | -9.6 | 177.5 | -58.6 | -179.5 | 118.3 | 0 | 0 | 112.4 | I2887 N2888 K2897 Y2898 I2910 V2913 Q2914 P2915 G2919 L2938 | I2887-E2917 HydrophobicContact CG2-CB 4.3Å; N2888-E2917 PolarHBondContact ND2-O 3.2Å; K2897-E2917 VanDerWaalsContact CE-CD 3.47Å; K2897-E2917 WeakPolarHBondContact CE-OE1 3.34Å; K2897-E2917 VanDerWaalsContact CE-OE2 3.25Å; K2897-E2917 WeakPolarHBondContact CE-OE2 3.38Å; K2897-E2917 VanDerWaalsContact NZ-CD 3.34Å; K2897-E2917 IonicContact NZ-OE1 2.92Å; K2897-E2917 PolarHBondContact NZ-OE1 2.95Å; K2897-E2917 IonicContact NZ-OE2 3.09Å; K2897-E2917 PolarHBondContact NZ-OE2 3.17Å; Y2898-E2917 VanDerWaalsContact CE1-OE1 3.28Å; Y2898-E2917 WeakPolarHBondContact CE1-OE1 3.38Å; Y2898-E2917 PolarHBondContact OH-OE1 3.01Å; I2910-E2917 VanDerWaalsContact CG2-OE1 3.24Å; I2910-E2917 WeakPolarHBondContact CG2-OE1 3.39Å; I2910-E2917 WeakPolarHBondContact CG2-OE2 3.46Å; V2913-E2917 VanDerWaalsContact CA-OE2 3.27Å; V2913-E2917 WeakPolarHBondContact CA-OE2 3.39Å; Q2914-E2917 HydrophobicContact CB-CG 4.4Å; Q2914-E2917 PolarHBondContact N-OE2 3.03Å; Q2914-E2917 WeakPolarHBondContact O-CB 3.42Å; Q2914-E2917 PolarHBondContact O-N 2.87Å; P2915-E2917 PolarHBondContact O-N 3.24Å; E2917-G2919 PolarHBondContact O-N 3.12Å; E2917-L2938 HydrophobicContact CB-CD2 4.1Å; E2917-L2938 WeakPolarHBondContact O-CD2 2.97Å |
| 2918 | A | 87.5 | Confident | 88.9 | Confident | 39.3333 Ų | 39.3333 | 45 Ų | 45 | 33% | 0.325 | 23% | 0.231 | S | C | . | . | trans | -60.1 | 133.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | N2888 P2915 Q2916 L2938 V2940 | N2888-A2918 PolarHBondContact ND2-O 2.93Å; N2888-A2918 PolarHBondContact OD1-O 2.81Å; P2915-A2918 WeakPolarHBondContact O-CB 3.41Å; P2915-A2918 PolarHBondContact O-N 3.11Å; Q2916-A2918 VanDerWaalsContact C-N 3.34Å; A2918-L2938 CarbonylContact C-O 3.48Å; A2918-L2938 VanDerWaalsContact CA-O 3.25Å; A2918-L2938 WeakPolarHBondContact CA-O 3.31Å; A2918-V2940 HydrophobicContact CB-CB 4.05Å; A2918-V2940 HydrophobicContact CB-CG2 3.79Å | ||
| 2919 | G | 89.3 | Confident | 88.5 | Confident | 26.6667 Ų | 26.6667 | 48.5 Ų | 48.5 | 28% | 0.275 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 136.4 | -145 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N2888 E2917 T2937 L2938 | N2888-G2919 VanDerWaalsContact OD1-C 3.27Å; N2888-G2919 VanDerWaalsContact OD1-CA 3.25Å; N2888-G2919 WeakPolarHBondContact OD1-CA 3.42Å; E2917-G2919 PolarHBondContact O-N 3.12Å; G2919-T2937 CarbonylContact O-C 3.53Å; G2919-T2937 VanDerWaalsContact O-CA 3.25Å; G2919-T2937 WeakPolarHBondContact O-CA 3.37Å; G2919-L2938 PolarHBondContact N-O 3.26Å; G2919-L2938 PolarHBondContact O-N 3.19Å |
| 2920 | E | 93.4 | Very high | 88.1 | Confident | 94.3333 Ų | 94.3333 | 48.4 Ų | 48.4 | 44% | 0.441 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 128.6 | -171 | -167.6 | -178.7 | -158.5 | 0 | 0 | 111.8 | N2888 V2922 S2935 T2936 | N2888-E2920 PolarHBondContact N-O 3Å; N2888-E2920 PolarHBondContact OD1-N 3.24Å; E2920-V2922 HydrophobicContact CG-CG2 3.76Å; E2920-S2935 VanDerWaalsContact OE1-CB 3.23Å; E2920-S2935 WeakPolarHBondContact OE1-CB 3.43Å; E2920-S2935 PolarHBondContact OE1-OG 3.03Å; E2920-T2936 CarbonylContact C-O 3.5Å; E2920-T2936 WeakPolarHBondContact CA-O 3.14Å |
| 2921 | V | 93.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 117 | 171.9 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | F2871 W2885 F2886 I2887 L2908 S2935 T2936 L2938 | F2871-V2921 HydrophobicContact CD1-CG1 4.29Å; F2871-V2921 HydrophobicContact CD2-CG1 4.09Å; F2871-V2921 HydrophobicContact CE1-CB 4.24Å; F2871-V2921 HydrophobicContact CE1-CG1 4.35Å; F2871-V2921 HydrophobicContact CE1-CG2 4.22Å; F2871-V2921 HydrophobicContact CE2-CB 4.42Å; F2871-V2921 HydrophobicContact CE2-CG1 4.17Å; F2871-V2921 HydrophobicContact CE2-CG2 3.9Å; F2871-V2921 HydrophobicContact CG-CG1 4.16Å; F2871-V2921 HydrophobicContact CZ-CB 4.16Å; F2871-V2921 HydrophobicContact CZ-CG1 4.3Å; F2871-V2921 HydrophobicContact CZ-CG2 3.66Å; W2885-V2921 HydrophobicContact CE3-CG1 3.86Å; W2885-V2921 HydrophobicContact CZ3-CG1 4.08Å; F2886-V2921 CarbonylContact O-C 3.48Å; F2886-V2921 WeakPolarHBondContact O-CA 3.31Å; I2887-V2921 HydrophobicContact CG1-CG2 4.36Å; I2887-V2921 HydrophobicContact CG2-CG2 4.48Å; L2908-V2921 HydrophobicContact CD2-CG1 3.95Å; V2921-S2935 CarbonylContact O-C 3.53Å; V2921-S2935 VanDerWaalsContact O-CA 3.28Å; V2921-S2935 WeakPolarHBondContact O-CA 3.31Å; V2921-T2936 HydrophobicContact CB-CG2 3.99Å; V2921-T2936 HydrophobicContact CG1-CG2 4.45Å; V2921-T2936 PolarHBondContact N-O 3.07Å; V2921-T2936 PolarHBondContact O-N 2.94Å; V2921-L2938 HydrophobicContact CG2-CB 3.98Å |
| 2922 | V | 93.8 | Very high | 88 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 6% | 0.061 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.9 | -174.7 | -176.5 | 0 | 0 | 0 | 0 | 110.1 | W2885 F2886 E2920 I2924 Q2933 A2934 | W2885-V2922 CarbonylContact C-O 3.57Å; W2885-V2922 WeakPolarHBondContact CA-O 3.27Å; F2886-V2922 HydrophobicContact CB-CB 4.25Å; F2886-V2922 PolarHBondContact N-O 3.06Å; F2886-V2922 PolarHBondContact O-N 2.81Å; E2920-V2922 HydrophobicContact CG-CG2 3.76Å; V2922-I2924 HydrophobicContact CG1-CD1 4.4Å; V2922-I2924 HydrophobicContact CG1-CG1 3.93Å; V2922-Q2933 HydrophobicContact CG1-CG 3.48Å; V2922-Q2933 VanDerWaalsContact CG1-CG 3.44Å; V2922-Q2933 VanDerWaalsContact CG1-NE2 3.33Å; V2922-A2934 CarbonylContact C-O 3.52Å; V2922-A2934 WeakPolarHBondContact CA-O 3.24Å |
| 2923 | C | 92.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.4 | 169.6 | -171.9 | 0 | 0 | 0 | 0 | 109.6 | F2854 P2858 C2873 V2883 S2884 W2885 Q2933 A2934 | F2854-C2923 HydrophobicContact CE1-CB 4.11Å; F2854-C2923 VanDerWaalsContact CE1-SG 3.59Å; F2854-C2923 HydrophobicContact CZ-CB 4.01Å; F2854-C2923 WeakPolarHBondContact CZ-O 3.35Å; P2858-C2923 HydrophobicContact CG-CB 4.35Å; C2873-C2923 PolarHBondContact SG-SG 3.12Å; V2883-C2923 WeakPolarHBondContact CG1-SG 3.36Å; S2884-C2923 CarbonylContact O-C 3.56Å; S2884-C2923 WeakPolarHBondContact O-CA 3.38Å; W2885-C2923 HydrophobicContact CD2-CB 4.09Å; W2885-C2923 HydrophobicContact CE3-CB 3.84Å; W2885-C2923 HydrophobicContact CH2-CB 4.19Å; W2885-C2923 HydrophobicContact CZ2-CB 4.41Å; W2885-C2923 HydrophobicContact CZ3-CB 3.89Å; C2923-Q2933 CarbonylContact O-C 3.42Å; C2923-Q2933 VanDerWaalsContact O-CA 3.32Å; C2923-Q2933 WeakPolarHBondContact O-CA 3.36Å; C2923-A2934 PolarHBondContact N-O 3.03Å; C2923-A2934 PolarHBondContact O-N 2.93Å |
| 2924 | I | 92.7 | Very high | 88.3 | Confident | 40 Ų | 40 | 48.3 Ų | 48.3 | 21% | 0.205 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 127 | 178.8 | -56.2 | -175.3 | 0 | 0 | 0 | 108.8 | V2883 S2884 F2886 V2922 V2931 A2932 Q2933 | V2883-I2924 CarbonylContact C-O 3.56Å; V2883-I2924 VanDerWaalsContact CA-O 3.29Å; V2883-I2924 WeakPolarHBondContact CA-O 3.31Å; S2884-I2924 PolarHBondContact N-O 3.02Å; S2884-I2924 PolarHBondContact O-N 2.95Å; S2884-I2924 PolarHBondContact OG-O 2.8Å; F2886-I2924 HydrophobicContact CD2-CD1 3.95Å; F2886-I2924 HydrophobicContact CD2-CG1 4.19Å; F2886-I2924 HydrophobicContact CE2-CB 4.41Å; F2886-I2924 HydrophobicContact CE2-CD1 3.6Å; F2886-I2924 HydrophobicContact CE2-CG1 4.07Å; F2886-I2924 HydrophobicContact CZ-CD1 4.31Å; V2922-I2924 HydrophobicContact CG1-CD1 4.4Å; V2922-I2924 HydrophobicContact CG1-CG1 3.93Å; I2924-V2931 HydrophobicContact CG2-CG1 3.58Å; I2924-V2931 VanDerWaalsContact CG2-CG1 3.49Å; I2924-A2932 WeakPolarHBondContact CA-O 3.3Å; I2924-Q2933 HydrophobicContact CG1-CG 4.19Å |
| 2925 | A | 90.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 122.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | P2852 F2854 V2875 A2881 K2882 V2883 V2931 A2932 | P2852-A2925 HydrophobicContact CB-CB 3.8Å; P2852-A2925 HydrophobicContact CG-CB 4.45Å; P2852-A2925 WeakPolarHBondContact CG-O 3.42Å; F2854-A2925 HydrophobicContact CE2-CB 4.24Å; F2854-A2925 HydrophobicContact CZ-CB 4Å; V2875-A2925 HydrophobicContact CB-CB 4.36Å; V2875-A2925 HydrophobicContact CG1-CB 3.69Å; V2875-A2925 HydrophobicContact CG2-CB 3.9Å; A2881-A2925 HydrophobicContact CB-CB 4.11Å; K2882-A2925 WeakPolarHBondContact O-CA 3.26Å; V2883-A2925 HydrophobicContact CG2-CB 3.99Å; A2925-V2931 CarbonylContact O-C 3.53Å; A2925-V2931 VanDerWaalsContact O-CA 3.27Å; A2925-V2931 WeakPolarHBondContact O-CA 3.28Å; A2925-A2932 PolarHBondContact N-O 2.92Å; A2925-A2932 PolarHBondContact O-N 3.1Å |
| 2926 | K | 88.1 | Confident | 89 | Confident | 133.333 Ų | 133.333 | 48.2 Ų | 48.2 | 58% | 0.58 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 125.6 | -176.7 | 177.1 | 170.7 | -178.3 | -179.4 | 0 | 111.5 | A2881 K2882 V2931 | A2881-K2926 CarbonylContact C-O 3.54Å; A2881-K2926 WeakPolarHBondContact CA-O 3.35Å; K2882-K2926 PolarHBondContact N-O 3.32Å; K2882-K2926 PolarHBondContact O-N 2.87Å; K2926-V2931 HydrophobicContact CB-CG2 4.08Å; K2926-V2931 HydrophobicContact CD-CG2 4.09Å; K2926-V2931 HydrophobicContact CG-CG2 3.86Å |
| 2927 | N | 84.5 | Confident | 89.4 | Confident | 17.6667 Ų | 17.6667 | 43.9 Ų | 43.9 | 9% | 0.094 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | -169.3 | 166.2 | 77.7 | -7.7 | 0 | 0 | 0 | 110.1 | S2850 P2852 S2877 P2879 A2881 E2929 G2930 | S2850-N2927 PolarHBondContact O-ND2 3.24Å; P2852-N2927 VanDerWaalsContact CD-OD1 3.27Å; P2852-N2927 WeakPolarHBondContact CD-OD1 3.37Å; P2852-N2927 HydrophobicContact CG-CB 4.12Å; P2852-N2927 WeakPolarHBondContact CG-OD1 3.36Å; S2877-N2927 WeakPolarHBondContact CB-ND2 3.38Å; P2879-N2927 HydrophobicContact CG-CB 4.41Å; P2879-N2927 VanDerWaalsContact O-CB 3.28Å; P2879-N2927 WeakPolarHBondContact O-CB 3.32Å; P2879-N2927 PolarHBondContact O-ND2 3.07Å; A2881-N2927 HydrophobicContact CB-CB 4.13Å; N2927-E2929 VanDerWaalsContact C-N 3.29Å; N2927-E2929 PolarHBondContact O-N 2.91Å; N2927-E2929 WeakPolarHBondContact OD1-CA 3.38Å; N2927-E2929 WeakPolarHBondContact OD1-CB 2.94Å; N2927-E2929 PolarHBondContact OD1-N 2.93Å; N2927-G2930 PolarHBondContact N-O 3.07Å; N2927-G2930 PolarHBondContact OD1-N 2.95Å; N2927-G2930 PolarHBondContact OD1-O 3.06Å |
| 2928 | S | 83.4 | Confident | 89.8 | Confident | 83.3333 Ų | 83.3333 | 43.4 Ų | 43.4 | 58% | 0.583 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -21.1 | 177.7 | 57.8 | 0 | 0 | 0 | 0 | 114.3 | P2879 | P2879-S2928 VanDerWaalsContact CD-OG 3.31Å; P2879-S2928 WeakPolarHBondContact CD-OG 3.41Å; P2879-S2928 VanDerWaalsContact CG-OG 3.23Å; P2879-S2928 WeakPolarHBondContact CG-OG 3.33Å |
| 2929 | E | 85.4 | Confident | 89.8 | Confident | 74.6667 Ų | 74.6667 | 43.2 Ų | 43.2 | 35% | 0.349 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -10.5 | -174.6 | -49.6 | -52.7 | 116 | 0 | 0 | 113.2 | K2849 R2851 N2927 | K2849-E2929 HydrophobicContact CB-CG 3.92Å; K2849-E2929 WeakPolarHBondContact CB-OE2 3.24Å; K2849-E2929 VanDerWaalsContact CD-CD 3.43Å; K2849-E2929 HydrophobicContact CD-CG 4.29Å; K2849-E2929 WeakPolarHBondContact CD-OE1 3.37Å; K2849-E2929 WeakPolarHBondContact CD-OE2 3.21Å; K2849-E2929 HydrophobicContact CG-CG 4.19Å; K2849-E2929 IonicContact NZ-OE1 3.51Å; K2849-E2929 PolarHBondContact NZ-OE1 2.88Å; K2849-E2929 IonicContact NZ-OE2 2.81Å; K2849-E2929 PolarHBondContact NZ-OE2 2.83Å; R2851-E2929 HydrophobicContact CB-CB 4.36Å; N2927-E2929 VanDerWaalsContact C-N 3.29Å; N2927-E2929 PolarHBondContact O-N 2.91Å; N2927-E2929 WeakPolarHBondContact OD1-CA 3.38Å; N2927-E2929 WeakPolarHBondContact OD1-CB 2.94Å; N2927-E2929 PolarHBondContact OD1-N 2.93Å |
| 2930 | G | 82.6 | Confident | 89.7 | Confident | 24 Ų | 24 | 43.1 Ų | 43.1 | 25% | 0.247 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.6 | -170.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P2852 N2927 | P2852-G2930 VanDerWaalsContact CD-O 3.27Å; P2852-G2930 WeakPolarHBondContact CD-O 3.37Å; P2852-G2930 WeakPolarHBondContact CG-O 3.27Å; N2927-G2930 PolarHBondContact N-O 3.07Å; N2927-G2930 PolarHBondContact OD1-N 2.95Å; N2927-G2930 PolarHBondContact OD1-O 3.06Å |
| 2931 | V | 88.9 | Confident | 89 | Confident | 76.3333 Ų | 76.3333 | 44.1 Ų | 44.1 | 46% | 0.463 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 140.2 | 176.5 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | R2851 I2924 A2925 K2926 | R2851-V2931 PolarHBondContact NH2-O 3.37Å; I2924-V2931 HydrophobicContact CG2-CG1 3.58Å; I2924-V2931 VanDerWaalsContact CG2-CG1 3.49Å; A2925-V2931 CarbonylContact O-C 3.53Å; A2925-V2931 VanDerWaalsContact O-CA 3.27Å; A2925-V2931 WeakPolarHBondContact O-CA 3.28Å; K2926-V2931 HydrophobicContact CB-CG2 4.08Å; K2926-V2931 HydrophobicContact CD-CG2 4.09Å; K2926-V2931 HydrophobicContact CG-CG2 3.86Å |
| 2932 | A | 88.4 | Confident | 87.8 | Confident | 14 Ų | 14 | 52.5 Ų | 52.5 | 12% | 0.116 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 150.6 | 163 | 0 | 0 | 0 | 0 | 0 | 109.8 | P2852 F2854 I2924 A2925 | P2852-A2932 HydrophobicContact CB-CB 4.14Å; P2852-A2932 WeakPolarHBondContact O-CB 3.22Å; F2854-A2932 HydrophobicContact CD2-CB 3.92Å; F2854-A2932 HydrophobicContact CE2-CB 3.91Å; F2854-A2932 WeakPolarHBondContact CE2-O 3.33Å; I2924-A2932 WeakPolarHBondContact CA-O 3.3Å; A2925-A2932 PolarHBondContact N-O 2.92Å; A2925-A2932 PolarHBondContact O-N 3.1Å |
| 2933 | Q | 91 | Very high | 86 | Confident | 124 Ų | 124 | 56.1 Ų | 56.1 | 58% | 0.579 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 140.4 | 178.1 | -179.8 | 176.8 | -12.4 | 0 | 0 | 109.3 | F2854 V2922 C2923 I2924 | F2854-Q2933 VanDerWaalsContact CE2-C 3.49Å; V2922-Q2933 HydrophobicContact CG1-CG 3.48Å; V2922-Q2933 VanDerWaalsContact CG1-CG 3.44Å; V2922-Q2933 VanDerWaalsContact CG1-NE2 3.33Å; C2923-Q2933 CarbonylContact O-C 3.42Å; C2923-Q2933 VanDerWaalsContact O-CA 3.32Å; C2923-Q2933 WeakPolarHBondContact O-CA 3.36Å; I2924-Q2933 HydrophobicContact CG1-CG 4.19Å |
| 2934 | A | 90.5 | Very high | 83.7 | Confident | 11.3333 Ų | 11.3333 | 62.3 Ų | 62.3 | 9% | 0.094 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 131.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | F2854 P2858 V2922 C2923 | F2854-A2934 HydrophobicContact CD1-CB 4.14Å; F2854-A2934 HydrophobicContact CD2-CB 3.72Å; F2854-A2934 HydrophobicContact CE1-CB 4.21Å; F2854-A2934 HydrophobicContact CE2-CB 3.8Å; F2854-A2934 HydrophobicContact CG-CB 3.9Å; F2854-A2934 HydrophobicContact CZ-CB 4.06Å; P2858-A2934 HydrophobicContact CG-CB 4.33Å; V2922-A2934 CarbonylContact C-O 3.52Å; V2922-A2934 WeakPolarHBondContact CA-O 3.24Å; C2923-A2934 PolarHBondContact N-O 3.03Å; C2923-A2934 PolarHBondContact O-N 2.93Å |
| 2935 | S | 90.6 | Very high | 81.2 | Confident | 64.6667 Ų | 64.6667 | 64 Ų | 64 | 45% | 0.452 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 157.4 | 178.9 | 63.9 | 0 | 0 | 0 | 0 | 112.5 | E2920 V2921 | E2920-S2935 VanDerWaalsContact OE1-CB 3.23Å; E2920-S2935 WeakPolarHBondContact OE1-CB 3.43Å; E2920-S2935 PolarHBondContact OE1-OG 3.03Å; V2921-S2935 CarbonylContact O-C 3.53Å; V2921-S2935 VanDerWaalsContact O-CA 3.28Å; V2921-S2935 WeakPolarHBondContact O-CA 3.31Å |
| 2936 | T | 93.5 | Very high | 78.9 | Confident | 20 Ų | 20 | 69.1 Ų | 69.1 | 12% | 0.123 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | -177.4 | -179.8 | -154.9 | 0 | 0 | 0 | 0 | 109.8 | P2858 R2859 R2860 F2871 E2920 V2921 | P2858-T2936 HydrophobicContact CB-CG2 3.89Å; P2858-T2936 HydrophobicContact CG-CG2 4.19Å; P2858-T2936 VanDerWaalsContact O-CB 3.26Å; P2858-T2936 WeakPolarHBondContact O-CB 3.39Å; P2858-T2936 PolarHBondContact O-OG1 3.12Å; R2859-T2936 WeakPolarHBondContact O-CG2 3.15Å; R2859-T2936 PolarHBondContact O-OG1 2.84Å; R2860-T2936 WeakPolarHBondContact CA-OG1 3.31Å; R2860-T2936 PolarHBondContact N-OG1 3.13Å; F2871-T2936 HydrophobicContact CD1-CG2 3.57Å; F2871-T2936 HydrophobicContact CE1-CG2 3.47Å; F2871-T2936 VanDerWaalsContact CE1-CG2 3.45Å; E2920-T2936 CarbonylContact C-O 3.5Å; E2920-T2936 WeakPolarHBondContact CA-O 3.14Å; V2921-T2936 HydrophobicContact CB-CG2 3.99Å; V2921-T2936 HydrophobicContact CG1-CG2 4.45Å; V2921-T2936 PolarHBondContact N-O 3.07Å; V2921-T2936 PolarHBondContact O-N 2.94Å |
| 2937 | T | 91.3 | Very high | 76.8 | Confident | 56.3333 Ų | 56.3333 | 70.8 Ų | 70.8 | 35% | 0.346 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 144.8 | 179.5 | 58.3 | 0 | 0 | 0 | 0 | 113.7 | R2860 V2861 G2919 | R2860-T2937 WeakPolarHBondContact CA-O 3.36Å; R2860-T2937 WeakPolarHBondContact CD-OG1 3.49Å; R2860-T2937 WeakPolarHBondContact CG-OG1 3.36Å; R2860-T2937 PolarHBondContact NE-OG1 3.33Å; V2861-T2937 PolarHBondContact N-O 3.19Å; V2861-T2937 VanDerWaalsContact N-O 3.09Å; G2919-T2937 CarbonylContact O-C 3.53Å; G2919-T2937 VanDerWaalsContact O-CA 3.25Å; G2919-T2937 WeakPolarHBondContact O-CA 3.37Å |
| 2938 | L | 93.5 | Very high | 74.6 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.005 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 116.8 | 165.5 | -178 | 56.4 | 0 | 0 | 0 | 108.9 | V2861 V2863 A2869 F2871 I2910 V2913 E2917 A2918 G2919 V2921 V2940 | V2861-L2938 HydrophobicContact CB-CD1 4.16Å; V2861-L2938 HydrophobicContact CG1-CD1 4.06Å; V2861-L2938 WeakPolarHBondContact O-CA 3.37Å; V2863-L2938 HydrophobicContact CG2-CD1 3.78Å; A2869-L2938 HydrophobicContact CB-CD1 3.63Å; A2869-L2938 HydrophobicContact CB-CD2 4.45Å; F2871-L2938 HydrophobicContact CE2-CD1 4.35Å; F2871-L2938 HydrophobicContact CZ-CB 3.91Å; F2871-L2938 HydrophobicContact CZ-CD1 4Å; F2871-L2938 HydrophobicContact CZ-CG 4.42Å; I2910-L2938 HydrophobicContact CD1-CD2 3.7Å; V2913-L2938 HydrophobicContact CG1-CD2 4.03Å; E2917-L2938 HydrophobicContact CB-CD2 4.1Å; E2917-L2938 WeakPolarHBondContact O-CD2 2.97Å; A2918-L2938 CarbonylContact C-O 3.48Å; A2918-L2938 VanDerWaalsContact CA-O 3.25Å; A2918-L2938 WeakPolarHBondContact CA-O 3.31Å; G2919-L2938 PolarHBondContact N-O 3.26Å; G2919-L2938 PolarHBondContact O-N 3.19Å; V2921-L2938 HydrophobicContact CG2-CB 3.98Å; L2938-V2940 HydrophobicContact CD2-CG2 4.21Å; L2938-V2940 HydrophobicContact CG-CG2 3.94Å |
| 2939 | D | 87.6 | Confident | 72.4 | Confident | 36 Ų | 36 | 75.6 Ų | 75.6 | 19% | 0.193 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.6 | 169 | -54.9 | -21.4 | 0 | 0 | 0 | 109.3 | R2860 V2861 Q2862 V2863 F2941 | R2860-D2939 IonicContact CZ-OD1 3.96Å; R2860-D2939 VanDerWaalsContact CZ-OD1 3.32Å; R2860-D2939 IonicContact CZ-OD2 3.1Å; R2860-D2939 IonicContact NE-OD1 3.01Å; R2860-D2939 PolarHBondContact NE-OD1 2.83Å; R2860-D2939 IonicContact NE-OD2 3.2Å; R2860-D2939 PolarHBondContact NE-OD2 3.24Å; R2860-D2939 IonicContact NH1-OD2 2.88Å; R2860-D2939 IonicContact NH2-OD1 2.88Å; R2860-D2939 PolarHBondContact NH2-OD1 2.83Å; R2860-D2939 IonicContact NH2-OD2 3.35Å; R2860-D2939 PolarHBondContact NH2-OD2 3.13Å; V2861-D2939 PolarHBondContact O-N 3.25Å; Q2862-D2939 WeakPolarHBondContact CA-O 3.33Å; Q2862-D2939 HydrophobicContact CB-CB 4.44Å; Q2862-D2939 HydrophobicContact CG-CB 4.08Å; Q2862-D2939 WeakPolarHBondContact CG-OD2 3.4Å; Q2862-D2939 PolarHBondContact NE2-OD2 3Å; V2863-D2939 PolarHBondContact N-O 2.88Å; V2863-D2939 VanDerWaalsContact N-O 3.09Å; D2939-F2941 HydrophobicContact CB-CE2 4.15Å; D2939-F2941 HydrophobicContact CB-CZ 4.48Å |
| 2940 | V | 87.5 | Confident | 70 | Confident | 24.3333 Ų | 24.3333 | 77.6 Ų | 77.6 | 15% | 0.147 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 113.7 | 177.2 | -171.1 | 0 | 0 | 0 | 0 | 109.4 | V2863 E2865 V2913 A2918 L2938 | V2863-V2940 HydrophobicContact CG2-CG2 4.39Å; V2863-V2940 CarbonylContact O-C 3.44Å; V2863-V2940 VanDerWaalsContact O-CA 3.29Å; V2863-V2940 WeakPolarHBondContact O-CA 3.46Å; E2865-V2940 HydrophobicContact CB-CG1 4.48Å; V2913-V2940 HydrophobicContact CG1-CB 4.29Å; V2913-V2940 HydrophobicContact CG1-CG1 3.92Å; V2913-V2940 HydrophobicContact CG1-CG2 3.36Å; A2918-V2940 HydrophobicContact CB-CB 4.05Å; A2918-V2940 HydrophobicContact CB-CG2 3.79Å; L2938-V2940 HydrophobicContact CD2-CG2 4.21Å; L2938-V2940 HydrophobicContact CG-CG2 3.94Å |
| 2941 | F | 78.9 | Confident | 67.9 | Low | 114.333 Ų | 114.333 | 83.7 Ų | 83.7 | 50% | 0.501 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 119.3 | 172.8 | -63 | -82.9 | 0 | 0 | 0 | 108.9 | Q2862 V2863 S2864 E2865 D2939 V2943 | Q2862-F2941 HydrophobicContact CB-CE2 4.03Å; Q2862-F2941 HydrophobicContact CG-CE2 4.47Å; V2863-F2941 PolarHBondContact O-N 2.98Å; S2864-F2941 CarbonylContact C-O 3.54Å; S2864-F2941 VanDerWaalsContact CA-O 3.28Å; S2864-F2941 WeakPolarHBondContact CA-O 3.34Å; E2865-F2941 PolarHBondContact N-O 3.05Å; D2939-F2941 HydrophobicContact CB-CE2 4.15Å; D2939-F2941 HydrophobicContact CB-CZ 4.48Å; F2941-V2943 PolarHBondContact O-N 3.15Å |
| 2942 | R | 67.6 | Low | 65.4 | Low | 177.667 Ų | 177.667 | 89 Ų | 89 | 67% | 0.67 | 44% | 0.443 | S | S | * | . | trans | -60.9 | 133 | 169.1 | -72.8 | -174.2 | 177.5 | 162.5 | 0.2 | 108.5 | E2865 P2915 D2944 | E2865-R2942 WeakPolarHBondContact OE2-CG 3.28Å; P2915-R2942 HydrophobicContact CB-CG 4.43Å; P2915-R2942 HydrophobicContact CG-CG 4.08Å; R2942-D2944 PolarHBondContact O-N 3.12Å | ||
| 2943 | V | 56.8 | Low | 62.8 | Low | 85.6667 Ų | 85.6667 | 94.1 Ų | 94.1 | 52% | 0.519 | 48% | 0.475 | S | S | . | . | trans | -73.8 | 110.6 | 166.1 | -179.6 | 0 | 0 | 0 | 0 | 105.1 | E2865 F2941 D2945 F2946 | E2865-V2943 HydrophobicContact CB-CG2 4.37Å; F2941-V2943 PolarHBondContact O-N 3.15Å; V2943-D2945 VanDerWaalsContact C-N 3.28Å; V2943-D2945 PolarHBondContact O-N 2.95Å; V2943-F2946 HydrophobicContact CG1-CE1 4.39Å | ||
| 2944 | D | 45.2 | Very low | 60.1 | Low | 130.667 Ų | 130.667 | 92.2 Ų | 92.2 | 70% | 0.699 | 48% | 0.48 | S | S | * | . | trans | -60.6 | 89.8 | 178.8 | -81.2 | -31.2 | 0 | 0 | 0 | 109.5 | R2942 F2946 R3317 | R2942-D2944 PolarHBondContact O-N 3.12Å; D2944-F2946 WeakPolarHBondContact O-CD1 3.14Å; D2944-F2946 PolarHBondContact O-N 3Å; D2944-F2946 VanDerWaalsContact O-N 3.15Å; D2944-R3317 VanDerWaalsContact O-CZ 3.26Å; D2944-R3317 PolarHBondContact O-NH1 2.85Å; D2944-R3317 PolarHBondContact O-NH2 2.9Å | ||
| 2945 | D | 40 | Very low | 57.7 | Low | 75.3333 Ų | 75.3333 | 100.4 Ų | 100.4 | 40% | 0.403 | 51% | 0.514 | S | S | . | . | trans | -64.9 | 119.1 | 172.2 | -171.3 | 5.5 | 0 | 0 | 0 | 107.4 | V2943 R2947 S2948 | V2943-D2945 VanDerWaalsContact C-N 3.28Å; V2943-D2945 PolarHBondContact O-N 2.95Å; D2945-R2947 PolarHBondContact O-N 2.89Å; D2945-R2947 WeakPolarHBondContact OD1-CB 3.29Å; D2945-R2947 WeakPolarHBondContact OD1-CG 3.27Å; D2945-R2947 PolarHBondContact OD1-N 3.11Å; D2945-S2948 WeakPolarHBondContact O-CB 3.37Å; D2945-S2948 PolarHBondContact O-N 3.02Å; D2945-S2948 PolarHBondContact O-OG 3.04Å | ||
| 2946 | F | 42 | Very low | 55.4 | Low | 107.333 Ų | 107.333 | 105.9 Ų | 105.9 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -60.6 | -9.9 | -173.9 | 35.2 | -79 | 0 | 0 | 0 | 112.7 | Q2349 V2943 D2944 S2948 L3276 F3278 | Q2349-F2946 HydrophobicContact CG-CD2 4.41Å; Q2349-F2946 HydrophobicContact CG-CE2 4.34Å; Q2349-F2946 PolarHBondContact NE2-O 3.26Å; V2943-F2946 HydrophobicContact CG1-CE1 4.39Å; D2944-F2946 WeakPolarHBondContact O-CD1 3.14Å; D2944-F2946 PolarHBondContact O-N 3Å; D2944-F2946 VanDerWaalsContact O-N 3.15Å; F2946-S2948 VanDerWaalsContact C-N 3.27Å; F2946-S2948 PolarHBondContact O-N 2.95Å; F2946-L3276 HydrophobicContact CB-CD1 3.98Å; F2946-L3276 HydrophobicContact CD1-CD1 3.27Å; F2946-L3276 HydrophobicContact CD1-CD2 3.93Å; F2946-L3276 HydrophobicContact CD1-CG 4.22Å; F2946-L3276 HydrophobicContact CD2-CD1 3.87Å; F2946-L3276 HydrophobicContact CE1-CD1 3.69Å; F2946-L3276 HydrophobicContact CE1-CD2 3.38Å; F2946-L3276 HydrophobicContact CE1-CG 4.16Å; F2946-L3276 HydrophobicContact CE2-CD1 4.21Å; F2946-L3276 HydrophobicContact CE2-CD2 4.21Å; F2946-L3276 HydrophobicContact CG-CD1 3.36Å; F2946-L3276 HydrophobicContact CZ-CD1 4.14Å; F2946-L3276 HydrophobicContact CZ-CD2 3.54Å; F2946-L3276 HydrophobicContact CZ-CG 4.39Å; F2946-F3278 HydrophobicContact CD2-CE1 4.18Å; F2946-F3278 AromaticContact CD2-CZ 3.59Å; F2946-F3278 HydrophobicContact CD2-CZ 3.59Å; F2946-F3278 HydrophobicContact CE2-CE1 4.19Å; F2946-F3278 AromaticContact CE2-CZ 3.84Å; F2946-F3278 HydrophobicContact CE2-CZ 3.84Å |
| 2947 | R | 43.3 | Very low | 53.1 | Low | 167.667 Ų | 167.667 | 109.1 Ų | 109.1 | 63% | 0.633 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -84.6 | -5.6 | 174.6 | -62 | 176.3 | 170.7 | 131.1 | -2.9 | 114.7 | D2945 | D2945-R2947 PolarHBondContact O-N 2.89Å; D2945-R2947 WeakPolarHBondContact OD1-CB 3.29Å; D2945-R2947 WeakPolarHBondContact OD1-CG 3.27Å; D2945-R2947 PolarHBondContact OD1-N 3.11Å |
| 2948 | S | 38.9 | Very low | 51 | Low | 75.6667 Ų | 75.6667 | 111 Ų | 111 | 53% | 0.529 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -98.2 | 4.5 | -178.5 | 65.3 | 0 | 0 | 0 | 0 | 115.1 | D2945 F2946 N2950 | D2945-S2948 WeakPolarHBondContact O-CB 3.37Å; D2945-S2948 PolarHBondContact O-N 3.02Å; D2945-S2948 PolarHBondContact O-OG 3.04Å; F2946-S2948 VanDerWaalsContact C-N 3.27Å; F2946-S2948 PolarHBondContact O-N 2.95Å; S2948-N2950 VanDerWaalsContact C-N 3.33Å; S2948-N2950 PolarHBondContact O-N 3.01Å; S2948-N2950 VanDerWaalsContact O-N 3.1Å |
| 2949 | H | 37.2 | Very low | 49.2 | Very low | 127.333 Ų | 127.333 | 116.7 Ų | 116.7 | 59% | 0.59 | 57% | 0.573 | S | S | * | * | trans | -72.9 | 76 | 177.1 | -93 | 20.3 | 0 | 0 | 0 | 113.5 | ||||
| 2950 | N | 35.8 | Very low | 48.2 | Very low | 115 Ų | 115 | 119.1 Ų | 119.1 | 62% | 0.615 | 59% | 0.588 | S | S | * | * | trans | -127.4 | 57.6 | 164.8 | -95.7 | -34.5 | 0 | 0 | 0 | 113.9 | S2948 | S2948-N2950 VanDerWaalsContact C-N 3.33Å; S2948-N2950 PolarHBondContact O-N 3.01Å; S2948-N2950 VanDerWaalsContact O-N 3.1Å | ||
| 2951 | L | 37.1 | Very low | 47.1 | Very low | 154 Ų | 154 | 123.4 Ų | 123.4 | 81% | 0.806 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -106.7 | 108.4 | 174.1 | -74.7 | 160.4 | 0 | 0 | 0 | 111.8 | ||
| 2952 | K | 36.5 | Very low | 46.1 | Very low | 187.333 Ų | 187.333 | 121.2 Ų | 121.2 | 81% | 0.814 | 60% | 0.6 | S | S | * | * | trans | -108.6 | 138.5 | 157.4 | -77.2 | 178.1 | 179.6 | 179.1 | 0 | 110.7 | A2954 | K2952-A2954 PolarHBondContact O-N 2.95Š| ||
| 2953 | P | 33.7 | Very low | 46.2 | Very low | 120.667 Ų | 120.667 | 117.7 Ų | 117.7 | 78% | 0.784 | 59% | 0.594 | S | S | * | * | trans | -73.2 | 115.5 | -174.5 | 29.4 | -32.8 | 0 | 0 | 0 | 110.9 | K2955 | P2953-K2955 PolarHBondContact O-N 3.06Š| ||
| 2954 | A | 35.6 | Very low | 46.9 | Very low | 83 Ų | 83 | 118.5 Ų | 118.5 | 69% | 0.686 | 59% | 0.592 | S | S | * | * | trans | -73.9 | 137.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | K2952 R2956 | K2952-A2954 PolarHBondContact O-N 2.95Å; A2954-R2956 PolarHBondContact O-N 3.2Å; A2954-R2956 VanDerWaalsContact O-N 3.16Å | ||
| 2955 | K | 39 | Very low | 48.1 | Very low | 184.667 Ų | 184.667 | 120 Ų | 120 | 80% | 0.803 | 59% | 0.588 | S | S | * | * | trans | -54.7 | 135.4 | 167.7 | -77.3 | 177.4 | 176.9 | 175.8 | 0 | 108.9 | P2953 E2957 V3236 E3237 K3238 | P2953-K2955 PolarHBondContact O-N 3.06Å; K2955-E2957 VanDerWaalsContact C-N 3.35Å; K2955-E2957 PolarHBondContact O-N 3.22Å; K2955-V3236 HydrophobicContact CB-CG1 4.42Å; K2955-E3237 CarbonylContact C-O 3.55Å; K2955-E3237 WeakPolarHBondContact CB-O 3.44Å; K2955-E3237 WeakPolarHBondContact O-CA 3.41Å; K2955-E3237 WeakPolarHBondContact O-CB 3.09Å; K2955-E3237 PolarHBondContact O-N 3.17Å; K2955-K3238 CarbonylContact C-O 3.55Å; K2955-K3238 WeakPolarHBondContact CA-O 3.47Å; K2955-K3238 WeakPolarHBondContact CB-O 3.15Å | ||
| 2956 | R | 42.1 | Very low | 49.3 | Very low | 180.667 Ų | 180.667 | 120.8 Ų | 120.8 | 68% | 0.682 | 59% | 0.59 | S | S | * | * | trans | -87.9 | 100.5 | -173.4 | -154.5 | 176.1 | 170 | 174.2 | -1 | 109 | A2954 D2958 E3237 K3238 A3239 K3240 S3241 F3243 S3244 H3320 | A2954-R2956 PolarHBondContact O-N 3.2Å; A2954-R2956 VanDerWaalsContact O-N 3.16Å; R2956-D2958 PolarHBondContact O-N 3.07Å; R2956-E3237 VanDerWaalsContact CA-CB 3.47Å; R2956-K3238 VanDerWaalsContact C-C 3.47Å; R2956-K3238 VanDerWaalsContact N-C 3.28Å; R2956-K3238 PolarHBondContact N-O 2.79Å; R2956-K3238 CarbonylContact O-C 3.56Å; R2956-A3239 CarbonylContact O-C 3.58Å; R2956-A3239 WeakPolarHBondContact O-CA 3.13Å; R2956-A3239 PolarHBondContact O-N 3.35Å; R2956-K3240 HydrophobicContact CG-CB 4.34Å; R2956-K3240 PolarHBondContact NE-O 3.2Å; R2956-K3240 PolarHBondContact NH2-O 2.8Å; R2956-K3240 VanDerWaalsContact O-CB 3.26Å; R2956-K3240 WeakPolarHBondContact O-CB 3.25Å; R2956-K3240 PolarHBondContact O-N 2.82Å; R2956-S3241 PolarHBondContact NH2-O 2.93Å; R2956-F3243 HydrophobicContact CG-CB 3.73Å; R2956-F3243 HydrophobicContact CG-CD2 3.59Å; R2956-F3243 HydrophobicContact CG-CE2 4.27Å; R2956-F3243 HydrophobicContact CG-CG 3.85Å; R2956-S3244 VanDerWaalsContact NH2-CB 3.32Å; R2956-S3244 PolarHBondContact NH2-OG 2.67Å; R2956-H3320 PolarHBondContact NH1-O 3.39Å | ||
| 2957 | E | 45.4 | Very low | 50.7 | Low | 85.6667 Ų | 85.6667 | 120.7 Ų | 120.7 | 40% | 0.4 | 59% | 0.59 | S | S | . | * | trans | -45.1 | 155.6 | 175.5 | -77.6 | -171.9 | 169.8 | 0 | 0 | 111.7 | K2955 E2959 L2962 R2965 E3237 K3238 A3239 K3240 F3243 | K2955-E2957 VanDerWaalsContact C-N 3.35Å; K2955-E2957 PolarHBondContact O-N 3.22Å; E2957-E2959 PolarHBondContact O-N 3.34Å; E2957-L2962 HydrophobicContact CB-CD1 3.83Å; E2957-L2962 HydrophobicContact CB-CG 4.41Å; E2957-R2965 IonicContact OE1-NH1 3.45Å; E2957-R2965 PolarHBondContact OE1-NH1 2.84Å; E2957-R2965 IonicContact OE2-NH1 3.6Å; E2957-E3237 HydrophobicContact CB-CB 4.47Å; E2957-E3237 HydrophobicContact CG-CB 4.25Å; E2957-E3237 PolarHBondContact N-OE2 2.85Å; E2957-K3238 VanDerWaalsContact N-N 3.14Å; E2957-K3238 CarbonylContact O-C 3.49Å; E2957-K3238 WeakPolarHBondContact O-CA 3.11Å; E2957-K3238 WeakPolarHBondContact O-CB 3.37Å; E2957-A3239 CarbonylContact O-C 3.5Å; E2957-A3239 WeakPolarHBondContact O-CA 3.41Å; E2957-A3239 PolarHBondContact O-N 3.44Å; E2957-K3240 HydrophobicContact CB-CD 4.41Å; E2957-K3240 PolarHBondContact O-N 2.87Å; E2957-K3240 VanDerWaalsContact OE2-CE 3.31Å; E2957-K3240 WeakPolarHBondContact OE2-CE 3.39Å; E2957-K3240 IonicContact OE2-NZ 2.84Å; E2957-K3240 PolarHBondContact OE2-NZ 3.03Å; E2957-F3243 HydrophobicContact CB-CE2 4.15Å; E2957-F3243 HydrophobicContact CB-CZ 4.47Å | ||
| 2958 | D | 47.1 | Very low | 52.1 | Low | 97 Ų | 97 | 119.7 Ų | 119.7 | 52% | 0.519 | 59% | 0.586 | S | S | . | * | trans | -86 | 138.9 | -179.5 | -157.8 | -6.1 | 0 | 0 | 0 | 110.1 | R2956 V2960 E2961 L2962 K3238 K3240 | R2956-D2958 PolarHBondContact O-N 3.07Å; D2958-V2960 PolarHBondContact O-N 3.09Å; D2958-E2961 HydrophobicContact CB-CB 4.47Å; D2958-E2961 WeakPolarHBondContact O-CB 3.36Å; D2958-E2961 PolarHBondContact O-N 2.85Å; D2958-L2962 PolarHBondContact O-N 3.1Å; D2958-K3238 HydrophobicContact CB-CD 4.3Å; D2958-K3240 VanDerWaalsContact N-CE 3.27Å; D2958-K3240 WeakPolarHBondContact O-CE 3.23Å; D2958-K3240 PolarHBondContact O-NZ 2.85Å | ||
| 2959 | E | 55.2 | Low | 53.2 | Low | 121 Ų | 121 | 125 Ų | 125 | 57% | 0.565 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.5 | -32.4 | -167 | -157.9 | 166.1 | -159.4 | 0 | 0 | 112.3 | E2957 E2961 L2962 L2963 K3240 S3241 D3242 K3246 | E2957-E2959 PolarHBondContact O-N 3.34Å; E2959-E2961 PolarHBondContact O-N 2.87Å; E2959-L2962 PolarHBondContact O-N 3.49Å; E2959-L2962 VanDerWaalsContact O-N 3.12Å; E2959-L2963 WeakPolarHBondContact O-CB 3.19Å; E2959-L2963 WeakPolarHBondContact O-CD1 3.26Å; E2959-L2963 VanDerWaalsContact O-CG 3.31Å; E2959-L2963 WeakPolarHBondContact O-CG 3.22Å; E2959-L2963 PolarHBondContact O-N 2.85Å; E2959-L2963 VanDerWaalsContact O-N 3.08Å; E2959-K3240 HydrophobicContact CB-CD 4.48Å; E2959-K3240 HydrophobicContact CB-CG 3.74Å; E2959-K3240 HydrophobicContact CG-CG 3.95Å; E2959-S3241 WeakPolarHBondContact OE1-CA 3.45Å; E2959-S3241 PolarHBondContact OE1-N 3.33Å; E2959-S3241 PolarHBondContact OE1-OG 3.19Å; E2959-S3241 VanDerWaalsContact OE2-CB 3.29Å; E2959-S3241 WeakPolarHBondContact OE2-CB 3.16Å; E2959-S3241 PolarHBondContact OE2-N 3.45Å; E2959-S3241 PolarHBondContact OE2-OG 2.98Å; E2959-D3242 PolarHBondContact OE1-N 3.29Å; E2959-K3246 IonicContact OE1-NZ 2.62Å; E2959-K3246 PolarHBondContact OE1-NZ 2.88Å |
| 2960 | V | 68.1 | Low | 54.5 | Low | 86 Ų | 86 | 124.3 Ų | 124.3 | 52% | 0.521 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.9 | -36.3 | 174.6 | -176.5 | 0 | 0 | 0 | 0 | 112.7 | D2958 L2962 Q2964 | D2958-V2960 PolarHBondContact O-N 3.09Å; V2960-L2962 PolarHBondContact O-N 3.33Å; V2960-Q2964 HydrophobicContact CG1-CG 4.25Å; V2960-Q2964 WeakPolarHBondContact O-CB 3.38Å; V2960-Q2964 VanDerWaalsContact O-CG 3.28Å; V2960-Q2964 WeakPolarHBondContact O-CG 3.32Å; V2960-Q2964 PolarHBondContact O-N 3.05Å |
| 2961 | E | 63.9 | Low | 55.9 | Low | 114.667 Ų | 114.667 | 125.1 Ų | 125.1 | 54% | 0.536 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70.9 | -34.7 | 178.2 | -81.2 | -172.3 | 139.4 | 0 | 0 | 112.2 | D2958 E2959 Q2964 R2965 | D2958-E2961 HydrophobicContact CB-CB 4.47Å; D2958-E2961 WeakPolarHBondContact O-CB 3.36Å; D2958-E2961 PolarHBondContact O-N 2.85Å; E2959-E2961 PolarHBondContact O-N 2.87Å; E2961-Q2964 PolarHBondContact O-N 2.82Å; E2961-R2965 VanDerWaalsContact O-CB 3.26Å; E2961-R2965 WeakPolarHBondContact O-CB 3.32Å; E2961-R2965 PolarHBondContact O-N 2.97Å; E2961-R2965 VanDerWaalsContact O-N 3.11Å |
| 2962 | L | 58.7 | Low | 57.3 | Low | 69 Ų | 69 | 123.8 Ų | 123.8 | 36% | 0.361 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.5 | -46.3 | 174.5 | -98.9 | 160.4 | 0 | 0 | 0 | 111.3 | E2957 D2958 E2959 V2960 Q2964 R2965 E2966 K3240 F3243 | E2957-L2962 HydrophobicContact CB-CD1 3.83Å; E2957-L2962 HydrophobicContact CB-CG 4.41Å; D2958-L2962 PolarHBondContact O-N 3.1Å; E2959-L2962 PolarHBondContact O-N 3.49Å; E2959-L2962 VanDerWaalsContact O-N 3.12Å; V2960-L2962 PolarHBondContact O-N 3.33Å; L2962-Q2964 VanDerWaalsContact C-N 3.34Å; L2962-Q2964 PolarHBondContact O-N 3.05Å; L2962-R2965 CarbonylContact O-C 3.36Å; L2962-R2965 WeakPolarHBondContact O-CA 3.31Å; L2962-R2965 PolarHBondContact O-N 2.91Å; L2962-E2966 HydrophobicContact CD2-CG 4.14Å; L2962-E2966 WeakPolarHBondContact O-CB 3.3Å; L2962-E2966 PolarHBondContact O-N 2.88Å; L2962-K3240 HydrophobicContact CB-CD 3.89Å; L2962-K3240 HydrophobicContact CD1-CD 3.69Å; L2962-K3240 HydrophobicContact CG-CD 4.18Å; L2962-F3243 HydrophobicContact CD1-CE2 3.9Å; L2962-F3243 HydrophobicContact CD1-CZ 4Å |
| 2963 | L | 69.4 | Low | 58.3 | Low | 103 Ų | 103 | 117.3 Ų | 117.3 | 54% | 0.539 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.1 | -42.6 | 175.3 | -74.8 | 167.1 | 0 | 0 | 0 | 111.8 | E2959 R2965 E2966 E2967 | E2959-L2963 WeakPolarHBondContact O-CB 3.19Å; E2959-L2963 WeakPolarHBondContact O-CD1 3.26Å; E2959-L2963 VanDerWaalsContact O-CG 3.31Å; E2959-L2963 WeakPolarHBondContact O-CG 3.22Å; E2959-L2963 PolarHBondContact O-N 2.85Å; E2959-L2963 VanDerWaalsContact O-N 3.08Å; L2963-R2965 VanDerWaalsContact C-N 3.3Å; L2963-R2965 PolarHBondContact O-N 3.06Å; L2963-E2966 PolarHBondContact O-N 3.09Å; L2963-E2967 VanDerWaalsContact O-CB 3.28Å; L2963-E2967 WeakPolarHBondContact O-CB 3.31Å; L2963-E2967 PolarHBondContact O-N 2.96Å |
| 2964 | Q | 71.8 | Confident | 59.3 | Low | 102.667 Ų | 102.667 | 117.9 Ų | 117.9 | 48% | 0.48 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.2 | -26.8 | 175.8 | -77.3 | -176.9 | 11.2 | 0 | 0 | 113.6 | V2960 E2961 L2962 R2968 | V2960-Q2964 HydrophobicContact CG1-CG 4.25Å; V2960-Q2964 WeakPolarHBondContact O-CB 3.38Å; V2960-Q2964 VanDerWaalsContact O-CG 3.28Å; V2960-Q2964 WeakPolarHBondContact O-CG 3.32Å; V2960-Q2964 PolarHBondContact O-N 3.05Å; E2961-Q2964 PolarHBondContact O-N 2.82Å; L2962-Q2964 VanDerWaalsContact C-N 3.34Å; L2962-Q2964 PolarHBondContact O-N 3.05Å; Q2964-R2968 WeakPolarHBondContact O-CB 3.34Å; Q2964-R2968 PolarHBondContact O-N 3.04Å; Q2964-R2968 VanDerWaalsContact O-N 3.11Å; Q2964-R2968 PolarHBondContact O-NE 2.79Å |
| 2965 | R | 70.1 | Confident | 60.5 | Low | 161.333 Ų | 161.333 | 115.7 Ų | 115.7 | 61% | 0.609 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -82 | -39 | 177.7 | -169.8 | 171.7 | 178.7 | 169.8 | -2 | 111.5 | E2957 E2961 L2962 L2963 E2967 R2968 W2969 | E2957-R2965 IonicContact OE1-NH1 3.45Å; E2957-R2965 PolarHBondContact OE1-NH1 2.84Å; E2957-R2965 IonicContact OE2-NH1 3.6Å; E2961-R2965 VanDerWaalsContact O-CB 3.26Å; E2961-R2965 WeakPolarHBondContact O-CB 3.32Å; E2961-R2965 PolarHBondContact O-N 2.97Å; E2961-R2965 VanDerWaalsContact O-N 3.11Å; L2962-R2965 CarbonylContact O-C 3.36Å; L2962-R2965 WeakPolarHBondContact O-CA 3.31Å; L2962-R2965 PolarHBondContact O-N 2.91Å; L2963-R2965 VanDerWaalsContact C-N 3.3Å; L2963-R2965 PolarHBondContact O-N 3.06Å; R2965-E2967 VanDerWaalsContact C-N 3.31Å; R2965-R2968 PolarHBondContact O-N 2.87Å; R2965-W2969 VanDerWaalsContact O-CB 3.32Å; R2965-W2969 WeakPolarHBondContact O-CB 3.29Å; R2965-W2969 PolarHBondContact O-N 2.84Å |
| 2966 | E | 65.4 | Low | 61.4 | Low | 94 Ų | 94 | 111.6 Ų | 111.6 | 44% | 0.439 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 169.8 | -93 | -167.1 | 174.2 | 0 | 0 | 111.8 | L2962 L2963 W2969 K2970 K3270 | L2962-E2966 HydrophobicContact CD2-CG 4.14Å; L2962-E2966 WeakPolarHBondContact O-CB 3.3Å; L2962-E2966 PolarHBondContact O-N 2.88Å; L2963-E2966 PolarHBondContact O-N 3.09Å; E2966-W2969 PolarHBondContact O-N 3.08Å; E2966-K2970 WeakPolarHBondContact O-CB 3.33Å; E2966-K2970 VanDerWaalsContact O-CG 3.29Å; E2966-K2970 WeakPolarHBondContact O-CG 3.25Å; E2966-K2970 PolarHBondContact O-N 2.93Å; E2966-K2970 IonicContact OE2-NZ 3.6Å; E2966-K2970 PolarHBondContact OE2-NZ 2.86Å; E2966-K3270 IonicContact OE1-NZ 2.69Å; E2966-K3270 PolarHBondContact OE1-NZ 2.88Å |
| 2967 | E | 71.3 | Confident | 61.9 | Low | 104 Ų | 104 | 107.9 Ų | 107.9 | 49% | 0.486 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.9 | -37.6 | 178.5 | -159.9 | 88.2 | -148.7 | 0 | 0 | 111.8 | L2963 R2965 K2970 Q2971 | L2963-E2967 VanDerWaalsContact O-CB 3.28Å; L2963-E2967 WeakPolarHBondContact O-CB 3.31Å; L2963-E2967 PolarHBondContact O-N 2.96Å; R2965-E2967 VanDerWaalsContact C-N 3.31Å; E2967-K2970 PolarHBondContact O-N 3.18Å; E2967-K2970 WeakPolarHBondContact OE2-CD 3.37Å; E2967-K2970 IonicContact OE2-NZ 2.68Å; E2967-K2970 PolarHBondContact OE2-NZ 3.38Å; E2967-Q2971 WeakPolarHBondContact O-CB 3.26Å; E2967-Q2971 VanDerWaalsContact O-CG 3.28Å; E2967-Q2971 WeakPolarHBondContact O-CG 3.37Å; E2967-Q2971 PolarHBondContact O-N 2.82Å |
| 2968 | R | 72.7 | Confident | 62.6 | Low | 146 Ų | 146 | 110.2 Ų | 110.2 | 55% | 0.551 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.7 | -44.4 | 169.6 | -101.7 | -178.9 | -87.1 | -172.5 | -7.1 | 111.9 | Q2964 R2965 K2970 Q2971 E2972 | Q2964-R2968 WeakPolarHBondContact O-CB 3.34Å; Q2964-R2968 PolarHBondContact O-N 3.04Å; Q2964-R2968 VanDerWaalsContact O-N 3.11Å; Q2964-R2968 PolarHBondContact O-NE 2.79Å; R2965-R2968 PolarHBondContact O-N 2.87Å; R2968-K2970 VanDerWaalsContact C-N 3.34Å; R2968-K2970 PolarHBondContact O-N 3.07Å; R2968-Q2971 CarbonylContact O-C 3.43Å; R2968-Q2971 PolarHBondContact O-N 3.07Å; R2968-Q2971 VanDerWaalsContact O-N 3.11Å; R2968-E2972 WeakPolarHBondContact O-CB 3.44Å; R2968-E2972 WeakPolarHBondContact O-CG 3.3Å; R2968-E2972 PolarHBondContact O-N 2.95Å |
| 2969 | W | 61.4 | Low | 63.2 | Low | 188.667 Ų | 188.667 | 111.8 Ų | 111.8 | 72% | 0.715 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.7 | -37.6 | 178.2 | -167.3 | 56.9 | 0 | 0 | 0 | 112 | R2965 E2966 E2972 A2973 | R2965-W2969 VanDerWaalsContact O-CB 3.32Å; R2965-W2969 WeakPolarHBondContact O-CB 3.29Å; R2965-W2969 PolarHBondContact O-N 2.84Å; E2966-W2969 PolarHBondContact O-N 3.08Å; W2969-E2972 PolarHBondContact O-N 3.23Å; W2969-A2973 WeakPolarHBondContact O-CB 3.27Å; W2969-A2973 PolarHBondContact O-N 3.08Å |
| 2970 | K | 63.5 | Low | 63.2 | Low | 111 Ų | 111 | 108.9 Ų | 108.9 | 48% | 0.483 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 169.9 | -75.2 | 172.5 | -170.9 | 159.3 | 0 | 111.9 | E2966 E2967 R2968 M2974 | E2966-K2970 WeakPolarHBondContact O-CB 3.33Å; E2966-K2970 VanDerWaalsContact O-CG 3.29Å; E2966-K2970 WeakPolarHBondContact O-CG 3.25Å; E2966-K2970 PolarHBondContact O-N 2.93Å; E2966-K2970 IonicContact OE2-NZ 3.6Å; E2966-K2970 PolarHBondContact OE2-NZ 2.86Å; E2967-K2970 PolarHBondContact O-N 3.18Å; E2967-K2970 WeakPolarHBondContact OE2-CD 3.37Å; E2967-K2970 IonicContact OE2-NZ 2.68Å; E2967-K2970 PolarHBondContact OE2-NZ 3.38Å; R2968-K2970 VanDerWaalsContact C-N 3.34Å; R2968-K2970 PolarHBondContact O-N 3.07Å; K2970-M2974 VanDerWaalsContact O-CB 3.26Å; K2970-M2974 WeakPolarHBondContact O-CB 3.27Å; K2970-M2974 VanDerWaalsContact O-CG 3.27Å; K2970-M2974 WeakPolarHBondContact O-CG 3.1Å; K2970-M2974 PolarHBondContact O-N 2.86Å |
| 2971 | Q | 66.6 | Low | 62.3 | Low | 132 Ų | 132 | 109.2 Ų | 109.2 | 62% | 0.617 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.5 | -40.3 | 178.5 | -73.9 | -178.2 | 12.4 | 0 | 0 | 113 | E2967 R2968 M2974 G2975 | E2967-Q2971 WeakPolarHBondContact O-CB 3.26Å; E2967-Q2971 VanDerWaalsContact O-CG 3.28Å; E2967-Q2971 WeakPolarHBondContact O-CG 3.37Å; E2967-Q2971 PolarHBondContact O-N 2.82Å; R2968-Q2971 CarbonylContact O-C 3.43Å; R2968-Q2971 PolarHBondContact O-N 3.07Å; R2968-Q2971 VanDerWaalsContact O-N 3.11Å; Q2971-M2974 PolarHBondContact O-N 2.72Å; Q2971-G2975 WeakPolarHBondContact O-CA 3.32Å; Q2971-G2975 PolarHBondContact O-N 2.9Å |
| 2972 | E | 66.4 | Low | 62.1 | Low | 127.667 Ų | 127.667 | 110.5 Ų | 110.5 | 60% | 0.597 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.5 | -40.5 | 177 | -74 | 175.7 | 173.5 | 0 | 0 | 111.9 | R2968 W2969 G2975 T2976 | R2968-E2972 WeakPolarHBondContact O-CB 3.44Å; R2968-E2972 WeakPolarHBondContact O-CG 3.3Å; R2968-E2972 PolarHBondContact O-N 2.95Å; W2969-E2972 PolarHBondContact O-N 3.23Å; E2972-G2975 PolarHBondContact O-N 2.84Å; E2972-T2976 WeakPolarHBondContact O-CB 3.47Å; E2972-T2976 PolarHBondContact O-N 2.92Å; E2972-T2976 PolarHBondContact O-OG1 3.2Å |
| 2973 | A | 57.8 | Low | 62.2 | Low | 51 Ų | 51 | 112.5 Ų | 112.5 | 42% | 0.421 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.3 | -41.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | W2969 G2975 T2976 L2977 | W2969-A2973 WeakPolarHBondContact O-CB 3.27Å; W2969-A2973 PolarHBondContact O-N 3.08Å; A2973-G2975 VanDerWaalsContact C-N 3.33Å; A2973-G2975 PolarHBondContact O-N 2.95Å; A2973-T2976 PolarHBondContact O-N 3.15Å; A2973-L2977 VanDerWaalsContact O-CB 3.28Å; A2973-L2977 WeakPolarHBondContact O-CB 3.42Å; A2973-L2977 PolarHBondContact O-N 2.89Å |
| 2974 | M | 53.4 | Low | 61.1 | Low | 133 Ų | 133 | 110 Ų | 110 | 66% | 0.655 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.1 | -33.5 | 175.7 | -134.3 | 114.8 | 101.8 | 0 | 0 | 112.5 | K2970 Q2971 T2976 L2977 K2978 | K2970-M2974 VanDerWaalsContact O-CB 3.26Å; K2970-M2974 WeakPolarHBondContact O-CB 3.27Å; K2970-M2974 VanDerWaalsContact O-CG 3.27Å; K2970-M2974 WeakPolarHBondContact O-CG 3.1Å; K2970-M2974 PolarHBondContact O-N 2.86Å; Q2971-M2974 PolarHBondContact O-N 2.72Å; M2974-T2976 VanDerWaalsContact C-N 3.32Å; M2974-T2976 PolarHBondContact O-N 3.02Å; M2974-L2977 PolarHBondContact O-N 2.82Å; M2974-L2977 VanDerWaalsContact O-N 3.17Å; M2974-K2978 VanDerWaalsContact O-CB 3.28Å; M2974-K2978 WeakPolarHBondContact O-CB 3.32Å; M2974-K2978 PolarHBondContact O-N 3.01Å |
| 2975 | G | 62.1 | Low | 60 | Low | 36 Ų | 36 | 110.3 Ų | 110.3 | 37% | 0.371 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.6 | -40.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q2971 E2972 A2973 K2978 Q2979 | Q2971-G2975 WeakPolarHBondContact O-CA 3.32Å; Q2971-G2975 PolarHBondContact O-N 2.9Å; E2972-G2975 PolarHBondContact O-N 2.84Å; A2973-G2975 VanDerWaalsContact C-N 3.33Å; A2973-G2975 PolarHBondContact O-N 2.95Å; G2975-K2978 PolarHBondContact O-N 2.91Å; G2975-Q2979 WeakPolarHBondContact O-CB 3.42Å; G2975-Q2979 PolarHBondContact O-N 3.22Å |
| 2976 | T | 56.5 | Low | 58.9 | Low | 98.6667 Ų | 98.6667 | 114.1 Ų | 114.1 | 61% | 0.605 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -71.1 | -36.9 | 177.2 | -44.6 | 0 | 0 | 0 | 0 | 111.6 | E2972 A2973 M2974 Q2979 A2980 | E2972-T2976 WeakPolarHBondContact O-CB 3.47Å; E2972-T2976 PolarHBondContact O-N 2.92Å; E2972-T2976 PolarHBondContact O-OG1 3.2Å; A2973-T2976 PolarHBondContact O-N 3.15Å; M2974-T2976 VanDerWaalsContact C-N 3.32Å; M2974-T2976 PolarHBondContact O-N 3.02Å; T2976-Q2979 PolarHBondContact O-N 2.74Å; T2976-A2980 WeakPolarHBondContact O-CB 3.48Å; T2976-A2980 PolarHBondContact O-N 3.09Å; T2976-A2980 VanDerWaalsContact O-N 3.15Å |
| 2977 | L | 52.2 | Low | 57.8 | Low | 104.333 Ų | 104.333 | 113.2 Ų | 113.2 | 55% | 0.546 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.9 | -38.6 | 176.4 | -133.8 | 115.2 | 0 | 0 | 0 | 111.6 | A2973 M2974 Q2979 A2980 F2981 | A2973-L2977 VanDerWaalsContact O-CB 3.28Å; A2973-L2977 WeakPolarHBondContact O-CB 3.42Å; A2973-L2977 PolarHBondContact O-N 2.89Å; M2974-L2977 PolarHBondContact O-N 2.82Å; M2974-L2977 VanDerWaalsContact O-N 3.17Å; L2977-Q2979 VanDerWaalsContact C-N 3.34Å; L2977-Q2979 PolarHBondContact O-N 2.91Å; L2977-A2980 PolarHBondContact O-N 2.72Å; L2977-F2981 WeakPolarHBondContact O-CB 3.32Å; L2977-F2981 PolarHBondContact O-N 3.19Å |
| 2978 | K | 60.3 | Low | 56.8 | Low | 133.333 Ų | 133.333 | 113.6 Ų | 113.6 | 58% | 0.58 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.5 | -42.2 | 177.9 | -165 | 178.4 | -178.1 | -173.9 | 0 | 112.4 | M2974 G2975 A2980 F2981 E2982 | M2974-K2978 VanDerWaalsContact O-CB 3.28Å; M2974-K2978 WeakPolarHBondContact O-CB 3.32Å; M2974-K2978 PolarHBondContact O-N 3.01Å; G2975-K2978 PolarHBondContact O-N 2.91Å; K2978-A2980 VanDerWaalsContact C-N 3.33Å; K2978-A2980 PolarHBondContact O-N 2.76Å; K2978-F2981 WeakPolarHBondContact O-CB 3.34Å; K2978-F2981 PolarHBondContact O-N 3.03Å; K2978-F2981 VanDerWaalsContact O-N 3.12Å; K2978-E2982 WeakPolarHBondContact CE-OE1 3.19Å; K2978-E2982 IonicContact NZ-OE1 2.72Å; K2978-E2982 WeakPolarHBondContact O-CG 3.18Å; K2978-E2982 PolarHBondContact O-N 3.3Å |
| 2979 | Q | 61.1 | Low | 55.5 | Low | 129.667 Ų | 129.667 | 109.8 Ų | 109.8 | 61% | 0.606 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.3 | -33.2 | 176.7 | -130.6 | 175.2 | 15.4 | 0 | 0 | 112.6 | G2975 T2976 L2977 F2981 E2982 T2983 | G2975-Q2979 WeakPolarHBondContact O-CB 3.42Å; G2975-Q2979 PolarHBondContact O-N 3.22Å; T2976-Q2979 PolarHBondContact O-N 2.74Å; L2977-Q2979 VanDerWaalsContact C-N 3.34Å; L2977-Q2979 PolarHBondContact O-N 2.91Å; Q2979-F2981 VanDerWaalsContact C-N 3.35Å; Q2979-E2982 PolarHBondContact O-N 2.9Å; Q2979-T2983 WeakPolarHBondContact O-CB 3.41Å; Q2979-T2983 WeakPolarHBondContact O-CG2 3.33Å; Q2979-T2983 PolarHBondContact O-N 3.17Å; Q2979-T2983 PolarHBondContact O-OG1 3.21Å |
| 2980 | A | 55.4 | Low | 54.8 | Low | 60 Ų | 60 | 108.4 Ų | 108.4 | 50% | 0.496 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.8 | -31.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | T2976 L2977 K2978 T2983 A2984 | T2976-A2980 WeakPolarHBondContact O-CB 3.48Å; T2976-A2980 PolarHBondContact O-N 3.09Å; T2976-A2980 VanDerWaalsContact O-N 3.15Å; L2977-A2980 PolarHBondContact O-N 2.72Å; K2978-A2980 VanDerWaalsContact C-N 3.33Å; K2978-A2980 PolarHBondContact O-N 2.76Å; A2980-T2983 PolarHBondContact O-N 2.87Å; A2980-T2983 PolarHBondContact O-OG1 2.9Å; A2980-A2984 PolarHBondContact O-N 2.6Å |
| 2981 | F | 49.1 | Very low | 53.9 | Low | 93 Ų | 93 | 111.8 Ų | 111.8 | 41% | 0.408 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -74.3 | -35.8 | 175.9 | -131.1 | -97 | 0 | 0 | 0 | 112.9 | L2977 K2978 Q2979 T2983 L2989 L2992 L2993 | L2977-F2981 WeakPolarHBondContact O-CB 3.32Å; L2977-F2981 PolarHBondContact O-N 3.19Å; K2978-F2981 WeakPolarHBondContact O-CB 3.34Å; K2978-F2981 PolarHBondContact O-N 3.03Å; K2978-F2981 VanDerWaalsContact O-N 3.12Å; Q2979-F2981 VanDerWaalsContact C-N 3.35Å; F2981-T2983 VanDerWaalsContact C-N 3.25Å; F2981-T2983 PolarHBondContact O-N 3.31Å; F2981-L2989 HydrophobicContact CD1-CD1 4.37Å; F2981-L2989 HydrophobicContact CD1-CD2 3.61Å; F2981-L2989 HydrophobicContact CE1-CD1 3.87Å; F2981-L2989 HydrophobicContact CE1-CD2 3.3Å; F2981-L2989 HydrophobicContact CE1-CG 4.45Å; F2981-L2989 HydrophobicContact CG-CD2 4.49Å; F2981-L2989 HydrophobicContact CZ-CD2 3.96Å; F2981-L2992 HydrophobicContact CE2-CB 4.46Å; F2981-L2992 HydrophobicContact CE2-CD2 4.17Å; F2981-L2992 HydrophobicContact CZ-CB 4.14Å; F2981-L2992 HydrophobicContact CZ-CD1 4.46Å; F2981-L2992 HydrophobicContact CZ-CD2 4.37Å; F2981-L2992 HydrophobicContact CZ-CG 4.47Å; F2981-L2993 HydrophobicContact CE1-CD1 3.68Å; F2981-L2993 HydrophobicContact CZ-CD1 3.99Å |
| 2982 | E | 59.1 | Low | 52.9 | Low | 141.667 Ų | 141.667 | 111 Ų | 111 | 66% | 0.662 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -76.3 | -15.1 | -179.7 | -74.1 | 174.9 | -179 | 0 | 0 | 113.9 | K2978 Q2979 | K2978-E2982 WeakPolarHBondContact CE-OE1 3.19Å; K2978-E2982 IonicContact NZ-OE1 2.72Å; K2978-E2982 WeakPolarHBondContact O-CG 3.18Å; K2978-E2982 PolarHBondContact O-N 3.3Å; Q2979-E2982 PolarHBondContact O-N 2.9Å |
| 2983 | T | 59.6 | Low | 51.9 | Low | 112 Ų | 112 | 110.1 Ų | 110.1 | 69% | 0.687 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -105.6 | -3.5 | -176.8 | 45.7 | 0 | 0 | 0 | 0 | 114.9 | Q2979 A2980 F2981 | Q2979-T2983 WeakPolarHBondContact O-CB 3.41Å; Q2979-T2983 WeakPolarHBondContact O-CG2 3.33Å; Q2979-T2983 PolarHBondContact O-N 3.17Å; Q2979-T2983 PolarHBondContact O-OG1 3.21Å; A2980-T2983 PolarHBondContact O-N 2.87Å; A2980-T2983 PolarHBondContact O-OG1 2.9Å; F2981-T2983 VanDerWaalsContact C-N 3.25Å; F2981-T2983 PolarHBondContact O-N 3.31Å |
| 2984 | A | 47.1 | Very low | 51.1 | Low | 49 Ų | 49 | 117.3 Ų | 117.3 | 41% | 0.405 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -83.9 | 136.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | A2980 R2986 L2989 | A2980-A2984 PolarHBondContact O-N 2.6Å; A2984-R2986 PolarHBondContact O-N 3.28Å; A2984-L2989 HydrophobicContact CB-CD1 4.14Å; A2984-L2989 HydrophobicContact CB-CD2 4.16Å; A2984-L2989 HydrophobicContact CB-CG 4.15Å; A2984-L2989 WeakPolarHBondContact O-CD1 3.41Å |
| 2985 | P | 48.3 | Very low | 50.3 | Low | 110 Ų | 110 | 117.1 Ų | 117.1 | 71% | 0.714 | 61% | 0.61 | S | S | * | * | trans | -67.3 | 130.2 | 178.2 | -6.4 | 14.6 | 0 | 0 | 0 | 112.8 | A2987 D2988 | P2985-A2987 PolarHBondContact O-N 2.77Å; P2985-D2988 PolarHBondContact O-N 3.22Å | ||
| 2986 | R | 48 | Very low | 49.1 | Very low | 241.667 Ų | 241.667 | 123.2 Ų | 123.2 | 91% | 0.912 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -28.2 | 13 | -175.9 | -84.8 | -178.5 | 164.1 | 125.8 | -2.6 | 117.7 | A2984 | A2984-R2986 PolarHBondContact O-N 3.28Š|
| 2987 | A | 41.9 | Very low | 48.1 | Very low | 74.3333 Ų | 74.3333 | 124.6 Ų | 124.6 | 61% | 0.614 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -11.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P2985 L2989 L2992 | P2985-A2987 PolarHBondContact O-N 2.77Å; A2987-L2989 PolarHBondContact O-N 3.03Å; A2987-L2989 VanDerWaalsContact O-N 3.15Å; A2987-L2992 HydrophobicContact CB-CD1 3.96Å |
| 2988 | D | 49.8 | Very low | 47.3 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 60% | 0.599 | 65% | 0.65 | S | S | * | * | trans | -84.1 | 13.3 | -177.6 | -97.6 | -33.6 | 0 | 0 | 0 | 112.3 | P2985 Q2990 K2991 L2992 | P2985-D2988 PolarHBondContact O-N 3.22Å; D2988-Q2990 PolarHBondContact O-N 2.96Å; D2988-Q2990 VanDerWaalsContact O-N 3.15Å; D2988-K2991 HydrophobicContact CB-CB 4.35Å; D2988-K2991 HydrophobicContact CB-CD 4.35Å; D2988-K2991 PolarHBondContact O-N 3.14Å; D2988-K2991 IonicContact OD2-NZ 2.86Å; D2988-L2992 PolarHBondContact O-N 3.42Å | ||
| 2989 | L | 46.5 | Very low | 46.2 | Very low | 66 Ų | 66 | 131.2 Ų | 131.2 | 35% | 0.346 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -61.5 | -23.5 | -177.9 | -96.6 | 145.8 | 0 | 0 | 0 | 113.6 | F2981 A2984 A2987 K2991 L2992 L2993 | F2981-L2989 HydrophobicContact CD1-CD1 4.37Å; F2981-L2989 HydrophobicContact CD1-CD2 3.61Å; F2981-L2989 HydrophobicContact CE1-CD1 3.87Å; F2981-L2989 HydrophobicContact CE1-CD2 3.3Å; F2981-L2989 HydrophobicContact CE1-CG 4.45Å; F2981-L2989 HydrophobicContact CG-CD2 4.49Å; F2981-L2989 HydrophobicContact CZ-CD2 3.96Å; A2984-L2989 HydrophobicContact CB-CD1 4.14Å; A2984-L2989 HydrophobicContact CB-CD2 4.16Å; A2984-L2989 HydrophobicContact CB-CG 4.15Å; A2984-L2989 WeakPolarHBondContact O-CD1 3.41Å; A2987-L2989 PolarHBondContact O-N 3.03Å; A2987-L2989 VanDerWaalsContact O-N 3.15Å; L2989-K2991 PolarHBondContact O-N 2.89Å; L2989-K2991 VanDerWaalsContact O-N 3.15Å; L2989-L2992 PolarHBondContact O-N 3.39Å; L2989-L2993 HydrophobicContact CB-CD1 4.23Å; L2989-L2993 HydrophobicContact CD2-CD1 3.87Å; L2989-L2993 WeakPolarHBondContact O-CD1 3.35Å; L2989-L2993 PolarHBondContact O-N 3.16Å |
| 2990 | Q | 45.6 | Very low | 45.1 | Very low | 161 Ų | 161 | 134 Ų | 134 | 75% | 0.752 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -79.7 | -14.8 | -178.4 | -105.8 | -178.9 | -3.9 | 0 | 0 | 114.7 | D2988 R2994 | D2988-Q2990 PolarHBondContact O-N 2.96Å; D2988-Q2990 VanDerWaalsContact O-N 3.15Å; Q2990-R2994 WeakPolarHBondContact O-CG 3.3Å |
| 2991 | K | 45.9 | Very low | 43.9 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 79% | 0.787 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -94.5 | -19.4 | 174.8 | -82.1 | -179.8 | 176.9 | 173.3 | 0 | 113.7 | D2988 L2989 V2995 | D2988-K2991 HydrophobicContact CB-CB 4.35Å; D2988-K2991 HydrophobicContact CB-CD 4.35Å; D2988-K2991 PolarHBondContact O-N 3.14Å; D2988-K2991 IonicContact OD2-NZ 2.86Å; L2989-K2991 PolarHBondContact O-N 2.89Å; L2989-K2991 VanDerWaalsContact O-N 3.15Å; K2991-V2995 WeakPolarHBondContact O-CG2 3.5Å; K2991-V2995 PolarHBondContact O-N 3.21Å |
| 2992 | L | 45.6 | Very low | 43.1 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 60% | 0.602 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -95.3 | -15.9 | 179.5 | -88.8 | 144.8 | 0 | 0 | 0 | 113.5 | F2981 A2987 D2988 L2989 R2994 V2995 E2996 | F2981-L2992 HydrophobicContact CE2-CB 4.46Å; F2981-L2992 HydrophobicContact CE2-CD2 4.17Å; F2981-L2992 HydrophobicContact CZ-CB 4.14Å; F2981-L2992 HydrophobicContact CZ-CD1 4.46Å; F2981-L2992 HydrophobicContact CZ-CD2 4.37Å; F2981-L2992 HydrophobicContact CZ-CG 4.47Å; A2987-L2992 HydrophobicContact CB-CD1 3.96Å; D2988-L2992 PolarHBondContact O-N 3.42Å; L2989-L2992 PolarHBondContact O-N 3.39Å; L2992-R2994 VanDerWaalsContact C-N 3.28Å; L2992-R2994 PolarHBondContact O-N 2.91Å; L2992-V2995 PolarHBondContact O-N 3Å; L2992-E2996 PolarHBondContact O-N 3.03Å |
| 2993 | L | 44.4 | Very low | 42.3 | Very low | 110.333 Ų | 110.333 | 141.2 Ų | 141.2 | 58% | 0.578 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -93.9 | 16.6 | -179.6 | -105.8 | 80.2 | 0 | 0 | 0 | 113.4 | F2981 L2989 T2997 | F2981-L2993 HydrophobicContact CE1-CD1 3.68Å; F2981-L2993 HydrophobicContact CZ-CD1 3.99Å; L2989-L2993 HydrophobicContact CB-CD1 4.23Å; L2989-L2993 HydrophobicContact CD2-CD1 3.87Å; L2989-L2993 WeakPolarHBondContact O-CD1 3.35Å; L2989-L2993 PolarHBondContact O-N 3.16Å; L2993-T2997 VanDerWaalsContact O-CB 3.31Å; L2993-T2997 WeakPolarHBondContact O-CB 3.42Å; L2993-T2997 WeakPolarHBondContact O-CG2 3.3Å; L2993-T2997 PolarHBondContact O-N 2.82Å; L2993-T2997 PolarHBondContact O-OG1 3.33Å |
| 2994 | R | 41.4 | Very low | 41.5 | Very low | 200.333 Ų | 200.333 | 142.1 Ų | 142.1 | 76% | 0.756 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -106.8 | 12.4 | 176.7 | -89 | -175.9 | 178.4 | 174.6 | 0.2 | 113.8 | Q2990 L2992 T2997 E2998 | Q2990-R2994 WeakPolarHBondContact O-CG 3.3Å; L2992-R2994 VanDerWaalsContact C-N 3.28Å; L2992-R2994 PolarHBondContact O-N 2.91Å; R2994-T2997 PolarHBondContact O-N 3.38Å; R2994-E2998 WeakPolarHBondContact O-CB 3.46Å; R2994-E2998 WeakPolarHBondContact O-CG 3.04Å; R2994-E2998 PolarHBondContact O-N 2.84Å |
| 2995 | V | 37.1 | Very low | 41.5 | Very low | 130.333 Ų | 130.333 | 143.1 Ų | 143.1 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -122.3 | 34.7 | -179.6 | -170.8 | 0 | 0 | 0 | 0 | 113.2 | K2991 L2992 | K2991-V2995 WeakPolarHBondContact O-CG2 3.5Å; K2991-V2995 PolarHBondContact O-N 3.21Å; L2992-V2995 PolarHBondContact O-N 3Å |
| 2996 | E | 35.7 | Very low | 41.9 | Very low | 164.333 Ų | 164.333 | 141.8 Ų | 141.8 | 77% | 0.768 | 71% | 0.714 | S | S | * | * | trans | -134.4 | 46.3 | 159.2 | -100.9 | -177.2 | 176.8 | 0 | 0 | 111.6 | L2992 | L2992-E2996 PolarHBondContact O-N 3.03Š| ||
| 2997 | T | 36 | Very low | 42 | Very low | 127.667 Ų | 127.667 | 135.8 Ų | 135.8 | 78% | 0.783 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -142 | 54 | 163.9 | 37.4 | 0 | 0 | 0 | 0 | 112.7 | L2993 R2994 | L2993-T2997 VanDerWaalsContact O-CB 3.31Å; L2993-T2997 WeakPolarHBondContact O-CB 3.42Å; L2993-T2997 WeakPolarHBondContact O-CG2 3.3Å; L2993-T2997 PolarHBondContact O-N 2.82Å; L2993-T2997 PolarHBondContact O-OG1 3.33Å; R2994-T2997 PolarHBondContact O-N 3.38Å |
| 2998 | E | 35.4 | Very low | 43 | Very low | 172.333 Ų | 172.333 | 139.1 Ų | 139.1 | 81% | 0.805 | 71% | 0.707 | S | S | * | * | trans | -133.1 | 67.6 | 168.8 | -66.6 | -179.9 | 176.5 | 0 | 0 | 113.8 | R2994 E3000 | R2994-E2998 WeakPolarHBondContact O-CB 3.46Å; R2994-E2998 WeakPolarHBondContact O-CG 3.04Å; R2994-E2998 PolarHBondContact O-N 2.84Å; E2998-E3000 PolarHBondContact O-N 3.01Å | ||
| 2999 | K | 36.3 | Very low | 43.6 | Very low | 203.667 Ų | 203.667 | 138.2 Ų | 138.2 | 89% | 0.886 | 70% | 0.699 | S | S | * | * | trans | -105.8 | 97.4 | 157.8 | -82 | -170.9 | 177.2 | 177.3 | 0 | 109.7 | ||||
| 3000 | E | 38.8 | Very low | 43.9 | Very low | 187.667 Ų | 187.667 | 139.2 Ų | 139.2 | 88% | 0.877 | 70% | 0.704 | S | S | * | * | trans | -67.6 | 127.5 | 167.8 | -67.6 | -171.9 | 144.6 | 0 | 0 | 111.4 | E2998 | E2998-E3000 PolarHBondContact O-N 3.01Š| ||
| 3001 | A | 30.8 | Very low | 44.6 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 88% | 0.876 | 70% | 0.697 | S | S | * | * | trans | -79.9 | 128.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 3002 | F | 32.5 | Very low | 45.6 | Very low | 180.5 Ų | 180.5 | 136.3 Ų | 136.3 | 79% | 0.792 | 69% | 0.691 | S | S | * | * | trans | -122.7 | 144.3 | -179.7 | -140.1 | -94.2 | 0 | 0 | 0 | 113.3 | L3005 | F3002-L3005 HydrophobicContact CE1-CD1 3.83Å; F3002-L3005 HydrophobicContact CE1-CG 4.38Å; F3002-L3005 HydrophobicContact CZ-CD1 3.66Å | ||
| 3003 | Q | 41.3 | Very low | 46.2 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 75% | 0.752 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 151.8 | -174.3 | -70.2 | 172.3 | -6.3 | 0 | 0 | 112.2 | L3005 | Q3003-L3005 PolarHBondContact O-N 3.15Š|
| 3004 | P | 43.1 | Very low | 46.6 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 84% | 0.838 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 124.4 | 178.5 | 26.5 | -33.1 | 0 | 0 | 0 | 111.4 | ||
| 3005 | L | 46.1 | Very low | 47.3 | Very low | 70 Ų | 70 | 137.2 Ų | 137.2 | 37% | 0.366 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -74 | 149.7 | 175.9 | -75.6 | 149.9 | 0 | 0 | 0 | 111.2 | F3002 Q3003 E3009 L3010 K3013 | F3002-L3005 HydrophobicContact CE1-CD1 3.83Å; F3002-L3005 HydrophobicContact CE1-CG 4.38Å; F3002-L3005 HydrophobicContact CZ-CD1 3.66Å; Q3003-L3005 PolarHBondContact O-N 3.15Å; L3005-E3009 HydrophobicContact CB-CB 4.26Å; L3005-E3009 HydrophobicContact CD2-CB 4.16Å; L3005-E3009 WeakPolarHBondContact CD2-OE2 3.48Å; L3005-L3010 HydrophobicContact CB-CG 4.16Å; L3005-K3013 HydrophobicContact CD1-CD 4Å; L3005-K3013 VanDerWaalsContact CD1-NZ 3.34Å; L3005-K3013 HydrophobicContact CD2-CD 4.45Å; L3005-K3013 VanDerWaalsContact CD2-NZ 3.26Å |
| 3006 | T | 57.4 | Low | 48.3 | Very low | 84.5 Ų | 84.5 | 138.7 Ų | 138.7 | 52% | 0.518 | 69% | 0.689 | S | S | . | * | P | Polyproline II helix | trans | -75.1 | 158.9 | 179.5 | 61.9 | 0 | 0 | 0 | 0 | 112.4 | E3008 E3009 L3010 | T3006-E3008 VanDerWaalsContact C-N 3.27Å; T3006-E3008 PolarHBondContact O-N 3.08Å; T3006-E3008 VanDerWaalsContact O-N 3.15Å; T3006-E3009 WeakPolarHBondContact CB-OE2 3.43Å; T3006-E3009 PolarHBondContact N-OE2 3.16Å; T3006-E3009 PolarHBondContact O-N 2.75Å; T3006-E3009 VanDerWaalsContact OG1-CG 3.3Å; T3006-E3009 WeakPolarHBondContact OG1-CG 3.48Å; T3006-E3009 PolarHBondContact OG1-OE2 3.11Å; T3006-L3010 PolarHBondContact O-N 2.81Å |
| 3007 | T | 50.8 | Low | 49.1 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 70% | 0.699 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -57.3 | -34.9 | -174.1 | -31.8 | 0 | 0 | 0 | 0 | 113.4 | L3010 Q3011 | T3007-L3010 WeakPolarHBondContact O-CB 3.49Å; T3007-L3010 PolarHBondContact O-N 2.86Å; T3007-Q3011 VanDerWaalsContact O-CB 3.3Å; T3007-Q3011 WeakPolarHBondContact O-CB 3.43Å; T3007-Q3011 PolarHBondContact O-N 2.95Å |
| 3008 | E | 61.7 | Low | 49.5 | Very low | 144 Ų | 144 | 142 Ų | 142 | 67% | 0.673 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -72.8 | -32.9 | 177 | -68.6 | -169.1 | 157.7 | 0 | 0 | 113.2 | T3006 L3010 Q3011 K3012 | T3006-E3008 VanDerWaalsContact C-N 3.27Å; T3006-E3008 PolarHBondContact O-N 3.08Å; T3006-E3008 VanDerWaalsContact O-N 3.15Å; E3008-L3010 VanDerWaalsContact C-N 3.34Å; E3008-Q3011 PolarHBondContact O-N 3.15Å; E3008-K3012 WeakPolarHBondContact O-CB 3.41Å; E3008-K3012 PolarHBondContact O-N 2.73Å |
| 3009 | E | 62.6 | Low | 50.1 | Low | 92.5 Ų | 92.5 | 136.9 Ų | 136.9 | 43% | 0.432 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -74.2 | -31.7 | 176.5 | -67.2 | 171.9 | 120.6 | 0 | 0 | 111.6 | L3005 T3006 Q3011 K3013 | L3005-E3009 HydrophobicContact CB-CB 4.26Å; L3005-E3009 HydrophobicContact CD2-CB 4.16Å; L3005-E3009 WeakPolarHBondContact CD2-OE2 3.48Å; T3006-E3009 WeakPolarHBondContact CB-OE2 3.43Å; T3006-E3009 PolarHBondContact N-OE2 3.16Å; T3006-E3009 PolarHBondContact O-N 2.75Å; T3006-E3009 VanDerWaalsContact OG1-CG 3.3Å; T3006-E3009 WeakPolarHBondContact OG1-CG 3.48Å; T3006-E3009 PolarHBondContact OG1-OE2 3.11Å; E3009-Q3011 VanDerWaalsContact C-N 3.34Å; E3009-K3013 WeakPolarHBondContact O-CB 3.26Å; E3009-K3013 VanDerWaalsContact O-CG 3.27Å; E3009-K3013 WeakPolarHBondContact O-CG 3.48Å; E3009-K3013 PolarHBondContact O-N 3.14Å |
| 3010 | L | 52.9 | Low | 50.6 | Low | 87 Ų | 87 | 132.8 Ų | 132.8 | 46% | 0.455 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -64.9 | -42.7 | 169.2 | -89.6 | 161.5 | 0 | 0 | 0 | 111.4 | L3005 T3006 T3007 E3008 K3013 F3014 | L3005-L3010 HydrophobicContact CB-CG 4.16Å; T3006-L3010 PolarHBondContact O-N 2.81Å; T3007-L3010 WeakPolarHBondContact O-CB 3.49Å; T3007-L3010 PolarHBondContact O-N 2.86Å; E3008-L3010 VanDerWaalsContact C-N 3.34Å; L3010-K3013 CarbonylContact O-C 3.54Å; L3010-K3013 PolarHBondContact O-N 3.13Å; L3010-F3014 WeakPolarHBondContact O-CB 3.39Å; L3010-F3014 WeakPolarHBondContact O-CD2 3.21Å; L3010-F3014 PolarHBondContact O-N 3.09Å |
| 3011 | Q | 60.6 | Low | 51.3 | Low | 128.5 Ų | 128.5 | 128.4 Ų | 128.4 | 60% | 0.6 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.3 | -43.8 | 179.6 | -128.3 | 166.3 | -17.6 | 0 | 0 | 112.5 | T3007 E3008 E3009 K3013 F3014 E3015 | T3007-Q3011 VanDerWaalsContact O-CB 3.3Å; T3007-Q3011 WeakPolarHBondContact O-CB 3.43Å; T3007-Q3011 PolarHBondContact O-N 2.95Å; E3008-Q3011 PolarHBondContact O-N 3.15Å; E3009-Q3011 VanDerWaalsContact C-N 3.34Å; Q3011-K3013 VanDerWaalsContact C-N 3.33Å; Q3011-K3013 PolarHBondContact O-N 3.12Å; Q3011-F3014 CarbonylContact O-C 3.47Å; Q3011-F3014 WeakPolarHBondContact O-CA 3.48Å; Q3011-F3014 WeakPolarHBondContact O-CB 3.4Å; Q3011-F3014 PolarHBondContact O-N 3.17Å; Q3011-E3015 WeakPolarHBondContact O-CG 3.35Å; Q3011-E3015 PolarHBondContact O-N 3.05Å |
| 3012 | K | 66.5 | Low | 52 | Low | 154.5 Ų | 154.5 | 131.3 Ų | 131.3 | 67% | 0.672 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.3 | -27.9 | 175.5 | -83.5 | 173.8 | 178.7 | 160.7 | 0 | 113.9 | E3008 K3016 | E3008-K3012 WeakPolarHBondContact O-CB 3.41Å; E3008-K3012 PolarHBondContact O-N 2.73Å; K3012-K3016 WeakPolarHBondContact O-CB 3.48Å; K3012-K3016 PolarHBondContact O-N 3.46Å |
| 3013 | K | 59.1 | Low | 52.8 | Low | 134.5 Ų | 134.5 | 129.6 Ų | 129.6 | 59% | 0.585 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -76.5 | -27 | 173.9 | -81.3 | 179.6 | 176.2 | 177.1 | 0 | 112.7 | L3005 E3009 L3010 Q3011 K3017 | L3005-K3013 HydrophobicContact CD1-CD 4Å; L3005-K3013 VanDerWaalsContact CD1-NZ 3.34Å; L3005-K3013 HydrophobicContact CD2-CD 4.45Å; L3005-K3013 VanDerWaalsContact CD2-NZ 3.26Å; E3009-K3013 WeakPolarHBondContact O-CB 3.26Å; E3009-K3013 VanDerWaalsContact O-CG 3.27Å; E3009-K3013 WeakPolarHBondContact O-CG 3.48Å; E3009-K3013 PolarHBondContact O-N 3.14Å; L3010-K3013 CarbonylContact O-C 3.54Å; L3010-K3013 PolarHBondContact O-N 3.13Å; Q3011-K3013 VanDerWaalsContact C-N 3.33Å; Q3011-K3013 PolarHBondContact O-N 3.12Å; K3013-K3017 WeakPolarHBondContact O-CA 3.3Å; K3013-K3017 WeakPolarHBondContact O-CB 3.47Å; K3013-K3017 PolarHBondContact O-N 3.16Å |
| 3014 | F | 51.5 | Low | 53.2 | Low | 161 Ų | 161 | 129.3 Ų | 129.3 | 71% | 0.706 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -78.3 | -28 | 177.6 | -104.1 | -86.7 | 0 | 0 | 0 | 113.6 | L3010 Q3011 K3017 K3018 | L3010-F3014 WeakPolarHBondContact O-CB 3.39Å; L3010-F3014 WeakPolarHBondContact O-CD2 3.21Å; L3010-F3014 PolarHBondContact O-N 3.09Å; Q3011-F3014 CarbonylContact O-C 3.47Å; Q3011-F3014 WeakPolarHBondContact O-CA 3.48Å; Q3011-F3014 WeakPolarHBondContact O-CB 3.4Å; Q3011-F3014 PolarHBondContact O-N 3.17Å; F3014-K3017 PolarHBondContact O-N 2.91Å; F3014-K3018 WeakPolarHBondContact O-CB 3.42Å; F3014-K3018 PolarHBondContact O-N 3.05Å |
| 3015 | E | 57.2 | Low | 53.5 | Low | 148.5 Ų | 148.5 | 130.7 Ų | 130.7 | 69% | 0.694 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -76.3 | -25.2 | 178.3 | -73.7 | 178.9 | 160.8 | 0 | 0 | 113.3 | Q3011 K3017 K3018 A3019 | Q3011-E3015 WeakPolarHBondContact O-CG 3.35Å; Q3011-E3015 PolarHBondContact O-N 3.05Å; E3015-K3017 PolarHBondContact O-N 2.87Å; E3015-K3018 PolarHBondContact O-N 3.42Å; E3015-A3019 PolarHBondContact O-N 2.97Å |
| 3016 | K | 59 | Low | 53.3 | Low | 161 Ų | 161 | 132.2 Ų | 132.2 | 70% | 0.7 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -93.6 | -18.5 | -175.6 | -140 | -174.5 | -178 | -140.8 | 0 | 114.9 | K3012 K3018 A3019 D3020 | K3012-K3016 WeakPolarHBondContact O-CB 3.48Å; K3012-K3016 PolarHBondContact O-N 3.46Å; K3016-K3018 VanDerWaalsContact C-N 3.34Å; K3016-K3018 PolarHBondContact O-N 2.91Å; K3016-A3019 PolarHBondContact O-N 3.38Å; K3016-D3020 IonicContact NZ-OD1 3.19Å; K3016-D3020 PolarHBondContact NZ-OD1 2.8Å; K3016-D3020 IonicContact NZ-OD2 2.78Å; K3016-D3020 PolarHBondContact NZ-OD2 2.78Å; K3016-D3020 WeakPolarHBondContact O-CB 3.39Å; K3016-D3020 VanDerWaalsContact O-CG 3.23Å; K3016-D3020 PolarHBondContact O-N 2.87Å |
| 3017 | K | 51.3 | Low | 52.5 | Low | 180 Ų | 180 | 132 Ų | 132 | 78% | 0.783 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -102.6 | 27.7 | 175.3 | -126.7 | -179.7 | 177.9 | -177.7 | 0 | 111.9 | K3013 F3014 E3015 D3021 | K3013-K3017 WeakPolarHBondContact O-CA 3.3Å; K3013-K3017 WeakPolarHBondContact O-CB 3.47Å; K3013-K3017 PolarHBondContact O-N 3.16Å; F3014-K3017 PolarHBondContact O-N 2.91Å; E3015-K3017 PolarHBondContact O-N 2.87Å; K3017-D3021 WeakPolarHBondContact O-CB 3.07Å; K3017-D3021 PolarHBondContact O-N 3.2Å |
| 3018 | K | 45.6 | Very low | 51.8 | Low | 182 Ų | 182 | 130.1 Ų | 130.1 | 79% | 0.791 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.2 | -125.2 | 163.8 | -89.5 | -174.1 | 171.1 | -176.6 | 0 | 110.6 | F3014 E3015 K3016 Y3022 | F3014-K3018 WeakPolarHBondContact O-CB 3.42Å; F3014-K3018 PolarHBondContact O-N 3.05Å; E3015-K3018 PolarHBondContact O-N 3.42Å; K3016-K3018 VanDerWaalsContact C-N 3.34Å; K3016-K3018 PolarHBondContact O-N 2.91Å; K3018-Y3022 WeakPolarHBondContact O-CB 3.36Å; K3018-Y3022 PolarHBondContact O-N 3.13Å |
| 3019 | A | 46.4 | Very low | 50.7 | Low | 66 Ų | 66 | 128.8 Ų | 128.8 | 55% | 0.545 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | 11.8 | 23.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E3015 K3016 Y3022 M3023 | E3015-A3019 PolarHBondContact O-N 2.97Å; K3016-A3019 PolarHBondContact O-N 3.38Å; A3019-Y3022 PolarHBondContact O-N 2.92Å; A3019-M3023 WeakPolarHBondContact O-CB 3.48Å; A3019-M3023 VanDerWaalsContact O-CG 3.26Å; A3019-M3023 WeakPolarHBondContact O-CG 3.14Å; A3019-M3023 PolarHBondContact O-N 2.77Å |
| 3020 | D | 46.6 | Very low | 49.4 | Very low | 116.5 Ų | 116.5 | 133.3 Ų | 133.3 | 62% | 0.623 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | 15.5 | -19.8 | 150 | -60.2 | -17.2 | 0 | 0 | 0 | 117.4 | K3016 Y3022 M3023 E3024 | K3016-D3020 IonicContact NZ-OD1 3.19Å; K3016-D3020 PolarHBondContact NZ-OD1 2.8Å; K3016-D3020 IonicContact NZ-OD2 2.78Å; K3016-D3020 PolarHBondContact NZ-OD2 2.78Å; K3016-D3020 WeakPolarHBondContact O-CB 3.39Å; K3016-D3020 VanDerWaalsContact O-CG 3.23Å; K3016-D3020 PolarHBondContact O-N 2.87Å; D3020-Y3022 PolarHBondContact O-N 3.49Å; D3020-M3023 PolarHBondContact O-N 2.83Å; D3020-E3024 VanDerWaalsContact O-CB 3.23Å; D3020-E3024 WeakPolarHBondContact O-CB 3.25Å; D3020-E3024 PolarHBondContact O-N 2.71Å |
| 3021 | D | 53.8 | Low | 48.4 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 51% | 0.508 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -108.3 | -6.9 | 179.7 | -161.9 | 33.4 | 0 | 0 | 0 | 114.9 | K3017 K3025 | K3017-D3021 WeakPolarHBondContact O-CB 3.07Å; K3017-D3021 PolarHBondContact O-N 3.2Å; D3021-K3025 VanDerWaalsContact O-CB 3.24Å; D3021-K3025 WeakPolarHBondContact O-CB 3.35Å; D3021-K3025 WeakPolarHBondContact O-CD 3.34Å; D3021-K3025 WeakPolarHBondContact O-CG 3.33Å; D3021-K3025 PolarHBondContact O-N 3.42Å; D3021-K3025 WeakPolarHBondContact OD1-CE 3.45Å; D3021-K3025 IonicContact OD1-NZ 3.7Å; D3021-K3025 PolarHBondContact OD1-NZ 3.3Å; D3021-K3025 IonicContact OD2-NZ 2.75Å; D3021-K3025 PolarHBondContact OD2-NZ 3.45Å |
| 3022 | Y | 45.8 | Very low | 47 | Very low | 167.5 Ų | 167.5 | 136.3 Ų | 136.3 | 66% | 0.657 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -96.1 | -30.9 | -179.6 | -174.3 | -105.6 | 0 | 0 | 0 | 113.9 | K3018 A3019 D3020 K3025 L3026 | K3018-Y3022 WeakPolarHBondContact O-CB 3.36Å; K3018-Y3022 PolarHBondContact O-N 3.13Å; A3019-Y3022 PolarHBondContact O-N 2.92Å; D3020-Y3022 PolarHBondContact O-N 3.49Å; Y3022-K3025 PolarHBondContact O-N 2.8Å; Y3022-L3026 HydrophobicContact CD1-CD1 3.78Å; Y3022-L3026 HydrophobicContact CD2-CD1 4.49Å; Y3022-L3026 HydrophobicContact CE1-CD1 3.83Å; Y3022-L3026 VanDerWaalsContact CE1-CD1 3.48Å; Y3022-L3026 HydrophobicContact CE2-CD1 4.36Å; Y3022-L3026 HydrophobicContact CG-CD1 4.29Å; Y3022-L3026 WeakPolarHBondContact O-CB 3.42Å; Y3022-L3026 VanDerWaalsContact O-CG 3.27Å; Y3022-L3026 WeakPolarHBondContact O-CG 3.02Å; Y3022-L3026 PolarHBondContact O-N 2.85Å |
| 3023 | M | 49.4 | Very low | 45.2 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 71% | 0.709 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -81.4 | -22.2 | 176.6 | -70.8 | -64.4 | -67.9 | 0 | 0 | 113.2 | A3019 D3020 L3026 A3027 | A3019-M3023 WeakPolarHBondContact O-CB 3.48Å; A3019-M3023 VanDerWaalsContact O-CG 3.26Å; A3019-M3023 WeakPolarHBondContact O-CG 3.14Å; A3019-M3023 PolarHBondContact O-N 2.77Å; D3020-M3023 PolarHBondContact O-N 2.83Å; M3023-L3026 PolarHBondContact O-N 2.89Å; M3023-L3026 HydrophobicContact SD-CD1 4.3Å; M3023-A3027 VanDerWaalsContact O-CB 3.3Å; M3023-A3027 WeakPolarHBondContact O-CB 3.46Å; M3023-A3027 PolarHBondContact O-N 2.93Å; M3023-A3027 VanDerWaalsContact O-N 3.1Å |
| 3024 | E | 50.8 | Low | 43.8 | Very low | 155.5 Ų | 155.5 | 139.2 Ų | 139.2 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -80.5 | -25.5 | 179.5 | -159.2 | 167.6 | -152.5 | 0 | 0 | 112.2 | D3020 L3026 A3027 A3028 | D3020-E3024 VanDerWaalsContact O-CB 3.23Å; D3020-E3024 WeakPolarHBondContact O-CB 3.25Å; D3020-E3024 PolarHBondContact O-N 2.71Å; E3024-L3026 VanDerWaalsContact C-N 3.29Å; E3024-L3026 PolarHBondContact O-N 2.88Å; E3024-A3027 CarbonylContact O-C 3.58Å; E3024-A3027 PolarHBondContact O-N 3.2Å; E3024-A3027 VanDerWaalsContact O-N 3.09Å; E3024-A3028 WeakPolarHBondContact O-CB 3.4Å; E3024-A3028 PolarHBondContact O-N 2.91Å |
| 3025 | K | 47.9 | Very low | 42.8 | Very low | 157.5 Ų | 157.5 | 137 Ų | 137 | 69% | 0.685 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -87.2 | -10.2 | 175 | -78.1 | 172.2 | 179.9 | 160 | 0 | 114.5 | D3021 Y3022 A3027 | D3021-K3025 VanDerWaalsContact O-CB 3.24Å; D3021-K3025 WeakPolarHBondContact O-CB 3.35Å; D3021-K3025 WeakPolarHBondContact O-CD 3.34Å; D3021-K3025 WeakPolarHBondContact O-CG 3.33Å; D3021-K3025 PolarHBondContact O-N 3.42Å; D3021-K3025 WeakPolarHBondContact OD1-CE 3.45Å; D3021-K3025 IonicContact OD1-NZ 3.7Å; D3021-K3025 PolarHBondContact OD1-NZ 3.3Å; D3021-K3025 IonicContact OD2-NZ 2.75Å; D3021-K3025 PolarHBondContact OD2-NZ 3.45Å; Y3022-K3025 PolarHBondContact O-N 2.8Å; K3025-A3027 VanDerWaalsContact C-N 3.32Å |
| 3026 | L | 42.7 | Very low | 41.6 | Very low | 102.5 Ų | 102.5 | 134.9 Ų | 134.9 | 54% | 0.537 | 69% | 0.694 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.3 | -1.3 | 176.2 | -76.7 | 166.1 | 0 | 0 | 0 | 114 | Y3022 M3023 E3024 | Y3022-L3026 HydrophobicContact CD1-CD1 3.78Å; Y3022-L3026 HydrophobicContact CD2-CD1 4.49Å; Y3022-L3026 HydrophobicContact CE1-CD1 3.83Å; Y3022-L3026 VanDerWaalsContact CE1-CD1 3.48Å; Y3022-L3026 HydrophobicContact CE2-CD1 4.36Å; Y3022-L3026 HydrophobicContact CG-CD1 4.29Å; Y3022-L3026 WeakPolarHBondContact O-CB 3.42Å; Y3022-L3026 VanDerWaalsContact O-CG 3.27Å; Y3022-L3026 WeakPolarHBondContact O-CG 3.02Å; Y3022-L3026 PolarHBondContact O-N 2.85Å; M3023-L3026 PolarHBondContact O-N 2.89Å; M3023-L3026 HydrophobicContact SD-CD1 4.3Å; E3024-L3026 VanDerWaalsContact C-N 3.29Å; E3024-L3026 PolarHBondContact O-N 2.88Å |
| 3027 | A | 40.1 | Very low | 40.2 | Very low | 80 Ų | 80 | 133.2 Ų | 133.2 | 66% | 0.661 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | 8.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | M3023 E3024 K3025 P3029 | M3023-A3027 VanDerWaalsContact O-CB 3.3Å; M3023-A3027 WeakPolarHBondContact O-CB 3.46Å; M3023-A3027 PolarHBondContact O-N 2.93Å; M3023-A3027 VanDerWaalsContact O-N 3.1Å; E3024-A3027 CarbonylContact O-C 3.58Å; E3024-A3027 PolarHBondContact O-N 3.2Å; E3024-A3027 VanDerWaalsContact O-N 3.09Å; K3025-A3027 VanDerWaalsContact C-N 3.32Å; A3027-P3029 WeakPolarHBondContact O-CD 3.5Å |
| 3028 | A | 37.5 | Very low | 39.4 | Very low | 75 Ų | 75 | 130.4 Ų | 130.4 | 62% | 0.62 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -81.2 | 113.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | E3024 E3030 | E3024-A3028 WeakPolarHBondContact O-CB 3.4Å; E3024-A3028 PolarHBondContact O-N 2.91Å; A3028-E3030 PolarHBondContact O-N 2.98Å; A3028-E3030 VanDerWaalsContact O-N 3.16Å |
| 3029 | P | 38.2 | Very low | 38.6 | Very low | 116.5 Ų | 116.5 | 125.1 Ų | 125.1 | 76% | 0.756 | 70% | 0.699 | S | S | * | * | trans | -74.9 | 115.9 | 166.9 | 29.5 | -31.2 | 0 | 0 | 0 | 109.5 | A3027 Q3031 | A3027-P3029 WeakPolarHBondContact O-CD 3.5Å; P3029-Q3031 PolarHBondContact O-N 3.36Å | ||
| 3030 | E | 35 | Very low | 37.8 | Very low | 186.5 Ų | 186.5 | 131.3 Ų | 131.3 | 87% | 0.871 | 71% | 0.714 | S | S | * | * | trans | -56.6 | 123.1 | 167.5 | -69.3 | -169.6 | 137.3 | 0 | 0 | 109.8 | A3028 P3032 | A3028-E3030 PolarHBondContact O-N 2.98Å; A3028-E3030 VanDerWaalsContact O-N 3.16Å; E3030-P3032 VanDerWaalsContact O-CD 3.22Å; E3030-P3032 WeakPolarHBondContact O-CD 3.39Å | ||
| 3031 | Q | 30.7 | Very low | 36.9 | Very low | 176 Ų | 176 | 131 Ų | 131 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | trans | -72.9 | 125.1 | 173.7 | -68.2 | -177.4 | -6.5 | 0 | 0 | 109.5 | P3029 K3033 | P3029-Q3031 PolarHBondContact O-N 3.36Å; Q3031-K3033 PolarHBondContact O-N 3.26Å | ||
| 3032 | P | 32.1 | Very low | 35.6 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | trans | -68.8 | 115.7 | 167.5 | 28.1 | -32.4 | 0 | 0 | 0 | 109.9 | E3030 I3034 | E3030-P3032 VanDerWaalsContact O-CD 3.22Å; E3030-P3032 WeakPolarHBondContact O-CD 3.39Å; P3032-I3034 PolarHBondContact O-N 2.87Å; P3032-I3034 VanDerWaalsContact O-N 3.09Å | ||
| 3033 | K | 28.9 | Very low | 34.7 | Very low | 195 Ų | 195 | 131.4 Ų | 131.4 | 85% | 0.848 | 73% | 0.729 | S | S | * | * | trans | -60.8 | 111 | 163.6 | -74.8 | 175.6 | 178.1 | 172.1 | 0 | 108 | Q3031 I3035 | Q3031-K3033 PolarHBondContact O-N 3.26Å; K3033-I3035 VanDerWaalsContact C-N 3.31Å; K3033-I3035 HydrophobicContact CB-CG1 4.38Å; K3033-I3035 PolarHBondContact O-N 3.11Å | ||
| 3034 | I | 29 | Very low | 33.6 | Very low | 155.5 Ų | 155.5 | 130.6 Ų | 130.6 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 111.8 | 170.1 | -63.8 | 170.9 | 0 | 0 | 0 | 107.6 | P3032 P3036 | P3032-I3034 PolarHBondContact O-N 2.87Å; P3032-I3034 VanDerWaalsContact O-N 3.09Å; I3034-P3036 WeakPolarHBondContact O-CD 3.46Å |
| 3035 | I | 30.8 | Very low | 32.6 | Very low | 114.5 Ų | 114.5 | 129.2 Ų | 129.2 | 59% | 0.587 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 130.4 | 174.8 | -63.7 | 168.4 | 0 | 0 | 0 | 107.4 | E2867 K3033 | E2867-I3035 HydrophobicContact CB-CD1 4.46Å; E2867-I3035 HydrophobicContact CG-CD1 3.65Å; E2867-I3035 WeakPolarHBondContact OE1-CD1 3.44Å; E2867-I3035 WeakPolarHBondContact OE2-CD1 3.33Å; K3033-I3035 VanDerWaalsContact C-N 3.31Å; K3033-I3035 HydrophobicContact CB-CG1 4.38Å; K3033-I3035 PolarHBondContact O-N 3.11Å |
| 3036 | P | 31.7 | Very low | 31.7 | Very low | 104.5 Ų | 104.5 | 129.3 Ų | 129.3 | 68% | 0.679 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 145 | 178.2 | -10.2 | 26.1 | 0 | 0 | 0 | 110.7 | I3034 S3038 | I3034-P3036 WeakPolarHBondContact O-CD 3.46Å; P3036-S3038 PolarHBondContact O-N 3Å |
| 3037 | P | 30.9 | Very low | 31 | Very low | 124.5 Ų | 124.5 | 134.7 Ų | 134.7 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | trans | -79.4 | 116 | 174.3 | 30.6 | -29.9 | 0 | 0 | 0 | 110.8 | ||||
| 3038 | S | 32.8 | Very low | 30.4 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | -116.7 | 101.9 | 161.4 | 60.6 | 0 | 0 | 0 | 0 | 109.5 | P3036 | P3036-S3038 PolarHBondContact O-N 3Š| ||
| 3039 | G | 30.1 | Very low | 30 | Very low | 71 Ų | 71 | 139.5 Ų | 139.5 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | -133.1 | 139.4 | -94.2 | 0 | 0 | 0 | 0 | 0 | 113 | |||
| 3040 | F | 28.5 | Very low | 29.5 | Very low | 196 Ų | 196 | 139.5 Ų | 139.5 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -105 | 137.1 | 164.8 | -133.4 | -100.6 | 0 | 0 | 0 | 108.5 | ||
| 3041 | T | 27.6 | Very low | 29.2 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | trans | -4.4 | 112 | -180 | 48.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 3042 | E | 27.5 | Very low | 29.1 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | -95 | 117.5 | 162.3 | -83.1 | -174.5 | 138 | 0 | 0 | 109.7 | R2912 V3044 | R2912-E3042 IonicContact CZ-OE2 3.54Å; R2912-E3042 IonicContact NH1-OE2 2.68Å; R2912-E3042 PolarHBondContact NH1-OE2 3.32Å; R2912-E3042 IonicContact NH2-OE2 3.67Å; R2912-E3042 PolarHBondContact NH2-OE2 3.31Å; E3042-V3044 PolarHBondContact O-N 3.03Å | ||
| 3043 | T | 27.2 | Very low | 29 | Very low | 109 Ų | 109 | 143.9 Ų | 143.9 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | trans | -83.6 | 118.9 | 166.6 | 2 | 0 | 0 | 0 | 0 | 110.3 | T3045 | T3043-T3045 PolarHBondContact O-N 2.89Š| ||
| 3044 | V | 26.7 | Very low | 29 | Very low | 126.5 Ų | 126.5 | 146.5 Ų | 146.5 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | trans | -78.9 | 99.6 | 179.3 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | E3042 L3046 | E3042-V3044 PolarHBondContact O-N 3.03Å; V3044-L3046 HydrophobicContact CG1-CD2 4.22Å; V3044-L3046 HydrophobicContact CG1-CG 4.22Å; V3044-L3046 PolarHBondContact O-N 2.84Å | ||
| 3045 | T | 29.8 | Very low | 29 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -86.2 | 101.6 | 168.3 | 43.7 | 0 | 0 | 0 | 0 | 110.3 | T3043 R3047 | T3043-T3045 PolarHBondContact O-N 2.89Å; T3045-R3047 PolarHBondContact O-N 2.94Å | ||
| 3046 | L | 27.1 | Very low | 28.9 | Very low | 159.5 Ų | 159.5 | 149.4 Ų | 149.4 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -66.8 | 122.9 | 170 | -69.7 | 171.4 | 0 | 0 | 0 | 109.9 | V3044 | V3044-L3046 HydrophobicContact CG1-CD2 4.22Å; V3044-L3046 HydrophobicContact CG1-CG 4.22Å; V3044-L3046 PolarHBondContact O-N 2.84Å | ||
| 3047 | R | 28.7 | Very low | 28.7 | Very low | 217 Ų | 217 | 151.7 Ų | 151.7 | 82% | 0.819 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 131.8 | 176.8 | -66.6 | -178.7 | -171.6 | 166 | 3.6 | 110.5 | T3045 T3049 | T3045-R3047 PolarHBondContact O-N 2.94Å; R3047-T3049 PolarHBondContact O-N 3.1Å; R3047-T3049 VanDerWaalsContact O-N 3.14Å |
| 3048 | P | 28.1 | Very low | 28.5 | Very low | 125.5 Ų | 125.5 | 153.5 Ų | 153.5 | 82% | 0.815 | 81% | 0.812 | S | S | * | * | trans | -76.5 | 117.9 | 170.5 | 30.2 | -31.3 | 0 | 0 | 0 | 110.6 | ||||
| 3049 | T | 29.4 | Very low | 28.4 | Very low | 130.5 Ų | 130.5 | 153.4 Ų | 153.4 | 80% | 0.801 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 138.8 | 166.2 | 18.4 | 0 | 0 | 0 | 0 | 110.9 | R3047 L3051 | R3047-T3049 PolarHBondContact O-N 3.1Å; R3047-T3049 VanDerWaalsContact O-N 3.14Å; T3049-L3051 PolarHBondContact O-N 2.89Å; T3049-L3051 VanDerWaalsContact O-N 3.16Å |
| 3050 | P | 28 | Very low | 28.4 | Very low | 117 Ų | 117 | 154.3 Ų | 154.3 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 119.4 | -177.9 | 29.5 | -32.4 | 0 | 0 | 0 | 111.6 | Q3052 | P3050-Q3052 PolarHBondContact O-N 2.86Å; P3050-Q3052 VanDerWaalsContact O-N 3.14Å |
| 3051 | L | 28.2 | Very low | 28.4 | Very low | 173 Ų | 173 | 151.2 Ų | 151.2 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | trans | -75.1 | 102.8 | 166.6 | -80.7 | 164.8 | 0 | 0 | 0 | 109.7 | T3049 Q3053 | T3049-L3051 PolarHBondContact O-N 2.89Å; T3049-L3051 VanDerWaalsContact O-N 3.16Å; L3051-Q3053 PolarHBondContact O-N 3.01Å | ||
| 3052 | Q | 28.7 | Very low | 28.6 | Very low | 188 Ų | 188 | 154.4 Ų | 154.4 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -65.8 | 120.4 | 166.8 | -76.1 | 176.8 | -15 | 0 | 0 | 110.1 | P3050 R3054 | P3050-Q3052 PolarHBondContact O-N 2.86Å; P3050-Q3052 VanDerWaalsContact O-N 3.14Å; Q3052-R3054 PolarHBondContact O-N 3.33Å | ||
| 3053 | Q | 28.6 | Very low | 28.6 | Very low | 194.5 Ų | 194.5 | 153.1 Ų | 153.1 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -71.5 | 122.4 | 169.3 | -81.2 | 176.4 | -26.1 | 0 | 0 | 110.3 | L3051 Q3055 | L3051-Q3053 PolarHBondContact O-N 3.01Å; Q3053-Q3055 PolarHBondContact O-N 3.26Å | ||
| 3054 | R | 30.5 | Very low | 28.9 | Very low | 251 Ų | 251 | 153.2 Ų | 153.2 | 95% | 0.947 | 82% | 0.819 | S | S | * | * | trans | -100.4 | 119.6 | 165.1 | -127.8 | 176.1 | -177.6 | -178 | 0.5 | 108.6 | Q3052 | Q3052-R3054 PolarHBondContact O-N 3.33Š| ||
| 3055 | Q | 27.3 | Very low | 28.9 | Very low | 176 Ų | 176 | 153.2 Ų | 153.2 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | trans | -90.2 | 132.3 | -174.9 | -128.7 | 174.3 | -6.1 | 0 | 0 | 111.3 | Q3053 | Q3053-Q3055 PolarHBondContact O-N 3.26Š| ||
| 3056 | L | 30.2 | Very low | 28.8 | Very low | 154 Ų | 154 | 155.4 Ų | 155.4 | 81% | 0.806 | 83% | 0.825 | S | S | * | * | trans | -39.8 | 125.7 | 159.1 | -112 | 81.2 | 0 | 0 | 0 | 114.1 | ||||
| 3057 | N | 26.4 | Very low | 28.8 | Very low | 153.5 Ų | 153.5 | 152.2 Ų | 152.2 | 82% | 0.821 | 82% | 0.822 | S | S | * | * | trans | -108.3 | 133.9 | 146.1 | -95.8 | -28.6 | 0 | 0 | 0 | 112 | ||||
| 3058 | L | 27.4 | Very low | 28.7 | Very low | 160.5 Ų | 160.5 | 146.4 Ų | 146.4 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | trans | -143.7 | 134.5 | 156.7 | -95.4 | 152.7 | 0 | 0 | 0 | 108.9 | ||||
| 3059 | P | 31.1 | Very low | 28.8 | Very low | 120.5 Ų | 120.5 | 152.1 Ų | 152.1 | 78% | 0.782 | 82% | 0.82 | S | S | * | * | trans | -84.9 | 145.4 | -175.2 | 33.6 | -31.7 | 0 | 0 | 0 | 112.5 | ||||
| 3060 | A | 29.1 | Very low | 28.7 | Very low | 89.5 Ų | 89.5 | 153.3 Ų | 153.3 | 74% | 0.74 | 82% | 0.817 | S | S | * | * | trans | -65.2 | 168.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 3061 | V | 29.2 | Very low | 28.9 | Very low | 130.5 Ų | 130.5 | 154.8 Ų | 154.8 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | -157.1 | 141.9 | 77.2 | -174.6 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 3062 | E | 30.5 | Very low | 28.9 | Very low | 180 Ų | 180 | 155.4 Ų | 155.4 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | 128.1 | 140.2 | 91.4 | -60.4 | -179.8 | 159 | 0 | 0 | 117.7 | |||||
| 3063 | T | 29.1 | Very low | 29.1 | Very low | 133.5 Ų | 133.5 | 149.8 Ų | 149.8 | 82% | 0.819 | 81% | 0.805 | S | S | * | * | trans | -95.4 | 153 | 161 | 52.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 3064 | P | 31.9 | Very low | 29.1 | Very low | 111.5 Ų | 111.5 | 146.6 Ų | 146.6 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | -157 | 167.5 | 92.7 | 40.6 | -20.9 | 0 | 0 | 0 | 118.7 | |||||
| 3065 | T | 27.9 | Very low | 29.1 | Very low | 126.5 Ų | 126.5 | 143.5 Ų | 143.5 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | 47.2 | 123.7 | 144.8 | 52.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 3066 | L | 27.7 | Very low | 29.2 | Very low | 170.5 Ų | 170.5 | 141.7 Ų | 141.7 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | 34 | 138.9 | 92.9 | -154.2 | 116.7 | 0 | 0 | 0 | 116.8 | |||||
| 3067 | A | 26.8 | Very low | 29.1 | Very low | 93 Ų | 93 | 140.7 Ų | 140.7 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | 142.9 | 139.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 3068 | S | 27.7 | Very low | 29.4 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | -110.2 | 152.1 | -90.1 | 43 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 3069 | W | 28.3 | Very low | 29.6 | Very low | 244.5 Ų | 244.5 | 137.6 Ų | 137.6 | 93% | 0.926 | 77% | 0.765 | S | S | * | * | trans | -63 | 149.1 | 140.1 | -65.2 | 95.8 | 0 | 0 | 0 | 116.2 | ||||
| 3070 | Q | 28.6 | Very low | 29.8 | Very low | 156.5 Ų | 156.5 | 137 Ų | 137 | 73% | 0.731 | 76% | 0.756 | S | S | * | * | -134 | 158.2 | 123.6 | -103 | 173.6 | -76.2 | 0 | 0 | 112.7 | |||||
| 3071 | E | 31.2 | Very low | 30.1 | Very low | 147 Ų | 147 | 142 Ų | 142 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | trans | 68.5 | 135.2 | 136.9 | -67 | 174.4 | 152.1 | 0 | 0 | 122.5 | ||||
| 3072 | E | 29.2 | Very low | 30.2 | Very low | 186 Ų | 186 | 144.3 Ų | 144.3 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | 155.2 | 144.4 | 68.6 | -65.7 | -176.7 | 144.9 | 0 | 0 | 116.6 | |||||
| 3073 | G | 31.9 | Very low | 30.3 | Very low | 71.5 Ų | 71.5 | 139.9 Ų | 139.9 | 74% | 0.737 | 76% | 0.757 | S | S | * | * | 173.5 | 103.1 | 82 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 3074 | V | 29.8 | Very low | 30.4 | Very low | 127.5 Ų | 127.5 | 141.2 Ų | 141.2 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | 28.4 | 136.4 | 161.3 | 176.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 3075 | K | 30.8 | Very low | 30.3 | Very low | 184.5 Ų | 184.5 | 144.2 Ų | 144.2 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | 151.3 | 157.2 | 68.5 | -97.4 | 158.6 | -164.3 | 174.6 | 0 | 111.4 | |||||
| 3076 | L | 28.8 | Very low | 30.5 | Very low | 139.5 Ų | 139.5 | 149.1 Ų | 149.1 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | cis | 175.5 | 153.5 | -23.6 | -145.2 | 74.6 | 0 | 0 | 0 | 104.9 | ||||
| 3077 | L | 28.6 | Very low | 30.7 | Very low | 131.5 Ų | 131.5 | 152.2 Ų | 152.2 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | 158 | 147.6 | 80.4 | -65 | 153.8 | 0 | 0 | 0 | 112.5 | K2818 | K2818-L3077 PolarHBondContact NZ-O 2.81Š| |||
| 3078 | S | 32.8 | Very low | 30.9 | Very low | 88.5 Ų | 88.5 | 155.2 Ų | 155.2 | 62% | 0.619 | 77% | 0.767 | S | S | * | * | cis | 131.1 | 145.5 | 14.2 | 81.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 3079 | K | 31 | Very low | 31.1 | Very low | 162 Ų | 162 | 156.5 Ų | 156.5 | 70% | 0.704 | 77% | 0.772 | S | S | * | * | 132.8 | 142.9 | 76.7 | -104.3 | 172 | 167.6 | -140.3 | 0 | 118.9 | |||||
| 3080 | D | 34 | Very low | 31.3 | Very low | 107.5 Ų | 107.5 | 153.7 Ų | 153.7 | 58% | 0.575 | 77% | 0.77 | S | S | * | * | trans | 59.2 | 137.4 | 137.5 | -59 | -31.6 | 0 | 0 | 0 | 121.1 | P2815 | P2815-D3080 WeakPolarHBondContact CG-O 3.41Š| ||
| 3081 | K | 36.1 | Very low | 31.4 | Very low | 193 Ų | 193 | 156 Ų | 156 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | cis | -175.7 | 165.3 | 39.6 | -107.4 | 178.7 | -175 | -176.8 | 0 | 115.1 | ||||
| 3082 | E | 31.1 | Very low | 31.5 | Very low | 179 Ų | 179 | 154.3 Ų | 154.3 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | -83.1 | 160.1 | -171.3 | -57.3 | 150 | 118.1 | 0 | 0 | 116.6 | ||||
| 3083 | A | 32.2 | Very low | 31.5 | Very low | 88.5 Ų | 88.5 | 151.5 Ų | 151.5 | 73% | 0.731 | 78% | 0.778 | S | S | * | * | 106.1 | 132.4 | 128.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 3084 | L | 32 | Very low | 31.4 | Very low | 160.5 Ų | 160.5 | 156.7 Ų | 156.7 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | -175.1 | 127 | 130.2 | -93.4 | 144.7 | 0 | 0 | 0 | 113.5 | ||||
| 3085 | F | 29.8 | Very low | 31.3 | Very low | 174.5 Ų | 174.5 | 159.2 Ų | 159.2 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | 137.8 | 151.4 | 162.1 | -74 | -90.6 | 0 | 0 | 0 | 116.8 | ||||
| 3086 | R | 32.6 | Very low | 31.2 | Very low | 229.5 Ų | 229.5 | 159.2 Ų | 159.2 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | -172.6 | 133.7 | 80.4 | -112.7 | 159.2 | -153.3 | -163.7 | 6.8 | 114.1 | |||||
| 3087 | R | 30.9 | Very low | 31.1 | Very low | 235.5 Ų | 235.5 | 160.6 Ų | 160.6 | 89% | 0.889 | 80% | 0.796 | S | S | * | * | trans | -11.4 | 143 | 153.8 | -67 | 177.9 | 174.9 | 176.8 | -3.4 | 118.9 | ||||
| 3088 | L | 31.1 | Very low | 31.2 | Very low | 156.5 Ų | 156.5 | 159.8 Ų | 159.8 | 82% | 0.819 | 80% | 0.799 | S | S | * | * | 156.2 | 146.9 | 93 | -89.3 | 169.6 | 0 | 0 | 0 | 112 | E3090 | L3088-E3090 HydrophobicContact CD2-CG 4.25Š| |||
| 3089 | P | 33.1 | Very low | 31 | Very low | 122 Ų | 122 | 160.3 Ų | 160.3 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | trans | -127.3 | 168.1 | 165.5 | 39.1 | -27 | 0 | 0 | 0 | 116.7 | ||||
| 3090 | E | 31.4 | Very low | 31 | Very low | 187 Ų | 187 | 162.8 Ų | 162.8 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -91.7 | 154.6 | -179.1 | -60.4 | 171.6 | 146.3 | 0 | 0 | 113.8 | L3088 | L3088-E3090 HydrophobicContact CD2-CG 4.25Š| ||
| 3091 | K | 31.3 | Very low | 30.8 | Very low | 203.5 Ų | 203.5 | 165.6 Ų | 165.6 | 89% | 0.885 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -130.4 | 161.1 | 162.2 | -117.9 | -171 | 175.7 | -177.7 | 0 | 111.6 | ||
| 3092 | P | 32.3 | Very low | 30.3 | Very low | 112 Ų | 112 | 162.7 Ų | 162.7 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 172.6 | -141.5 | 23.9 | -7.5 | 0 | 0 | 0 | 115.3 | ||
| 3093 | P | 30.9 | Very low | 30.1 | Very low | 128.5 Ų | 128.5 | 159.8 Ų | 159.8 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -95.5 | 148.5 | -171.3 | 37.4 | -32.7 | 0 | 0 | 0 | 113.4 | ||||
| 3094 | E | 29.1 | Very low | 29.8 | Very low | 180 Ų | 180 | 163.1 Ų | 163.1 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | trans | -141.6 | 104.6 | 171.5 | -157.4 | 158.3 | -148.5 | 0 | 0 | 113.8 | ||||
| 3095 | Q | 27.8 | Very low | 29.6 | Very low | 179 Ų | 179 | 160.3 Ų | 160.3 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | 46.5 | 135.9 | 142.9 | -68.2 | -176.2 | -4.4 | 0 | 0 | 124 | ||||
| 3096 | E | 27.5 | Very low | 29.6 | Very low | 185.5 Ų | 185.5 | 160.6 Ų | 160.6 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -83.4 | 156.8 | 170.9 | -54.2 | 179.9 | 144.6 | 0 | 0 | 112.9 | ||||
| 3097 | L | 27.9 | Very low | 29.3 | Very low | 169.5 Ų | 169.5 | 154.4 Ų | 154.4 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | -154.8 | 140.2 | 143 | -87.6 | 165.1 | 0 | 0 | 0 | 109.9 | ||||
| 3098 | P | 30.3 | Very low | 29.3 | Very low | 114.5 Ų | 114.5 | 149 Ų | 149 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | trans | -116.3 | 146.4 | -160.8 | 38.9 | -27.8 | 0 | 0 | 0 | 114.8 | ||||
| 3099 | A | 29.6 | Very low | 29.3 | Very low | 98.5 Ų | 98.5 | 145.6 Ų | 145.6 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | trans | -123.2 | 109.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3100 | R | 29.1 | Very low | 29.2 | Very low | 213.5 Ų | 213.5 | 144.7 Ų | 144.7 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | -1.4 | 130.7 | 126.8 | -69.1 | 175.5 | 170.5 | 165.9 | -1.4 | 111.2 | |||||
| 3101 | D | 30.1 | Very low | 29.2 | Very low | 167.5 Ų | 167.5 | 145.5 Ų | 145.5 | 90% | 0.896 | 77% | 0.77 | S | S | * | * | -132.7 | 142.8 | 87.4 | -89.2 | -32 | 0 | 0 | 0 | 114 | |||||
| 3102 | Q | 26.3 | Very low | 29.2 | Very low | 132.5 Ų | 132.5 | 140.5 Ų | 140.5 | 62% | 0.619 | 77% | 0.766 | S | S | * | * | trans | -116 | 162.3 | -179.5 | -63.9 | -176 | 7.6 | 0 | 0 | 111.1 | ||||
| 3103 | V | 27.9 | Very low | 29.1 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 72% | 0.715 | 77% | 0.77 | S | S | * | * | trans | 165.6 | 97.8 | 162.1 | -175.1 | 0 | 0 | 0 | 0 | 111 | Q3204 | V3103-Q3204 PolarHBondContact O-NE2 3.06Š| ||
| 3104 | K | 25.8 | Very low | 29.2 | Very low | 156.5 Ų | 156.5 | 141.9 Ų | 141.9 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | -1 | 127.5 | 113.8 | -75.2 | 173.6 | 174.9 | 167.6 | 0 | 110.8 | Q3175 Q3204 | K3104-Q3175 PolarHBondContact O-NE2 3.41Å; K3104-Q3204 VanDerWaalsContact C-OE1 3.31Å; K3104-Q3204 VanDerWaalsContact N-OE1 3.1Å | |||
| 3105 | L | 27.7 | Very low | 29.3 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 54% | 0.539 | 76% | 0.759 | S | S | . | * | trans | -117.3 | 146.1 | 156.8 | -100.7 | 166.4 | 0 | 0 | 0 | 109.3 | Q3175 T3177 | L3105-Q3175 HydrophobicContact CD1-CB 3.93Å; L3105-Q3175 HydrophobicContact CD1-CG 3.93Å; L3105-Q3175 HydrophobicContact CD2-CB 4.06Å; L3105-Q3175 HydrophobicContact CD2-CG 4.02Å; L3105-Q3175 HydrophobicContact CG-CB 4.19Å; L3105-Q3175 HydrophobicContact CG-CG 3.84Å; L3105-T3177 HydrophobicContact CD2-CG2 4.14Å | ||
| 3106 | K | 29.4 | Very low | 29.5 | Very low | 180.5 Ų | 180.5 | 137.2 Ų | 137.2 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | -109 | 131.9 | -174.7 | -87.1 | -180 | 171.9 | 179.9 | 0 | 111.5 | ||||
| 3107 | S | 27 | Very low | 29.7 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | trans | -30.5 | 135.9 | 144.3 | 54.7 | 0 | 0 | 0 | 0 | 115.5 | E3202 | S3107-E3202 PolarHBondContact N-OE1 3.36Å; S3107-E3202 PolarHBondContact OG-OE1 3.08Å | ||
| 3108 | V | 29.1 | Very low | 29.8 | Very low | 122.5 Ų | 122.5 | 133.9 Ų | 133.9 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | trans | -130.3 | 116.5 | 155.9 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3109 | A | 31.9 | Very low | 29.8 | Very low | 85.5 Ų | 85.5 | 139.3 Ų | 139.3 | 71% | 0.707 | 75% | 0.745 | S | S | * | * | trans | -86.1 | 147.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | K3111 | A3109-K3111 PolarHBondContact O-N 2.82Š| ||
| 3110 | P | 31.9 | Very low | 29.8 | Very low | 101.5 Ų | 101.5 | 139.3 Ų | 139.3 | 66% | 0.659 | 74% | 0.739 | S | S | * | * | trans | -99.4 | 130.7 | 148.7 | 5.1 | 8.3 | 0 | 0 | 0 | 111.3 | A3112 | P3110-A3112 PolarHBondContact O-N 2.65Š| ||
| 3111 | K | 30.1 | Very low | 29.9 | Very low | 205 Ų | 205 | 138 Ų | 138 | 89% | 0.891 | 74% | 0.739 | S | S | * | * | trans | 14.6 | 118 | 137 | -76.2 | -176.4 | 176.3 | 179.3 | 0 | 112.3 | A3109 | A3109-K3111 PolarHBondContact O-N 2.82Š| ||
| 3112 | A | 31.1 | Very low | 29.8 | Very low | 97.5 Ų | 97.5 | 135.6 Ų | 135.6 | 81% | 0.806 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 141.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P3110 | P3110-A3112 PolarHBondContact O-N 2.65Š|
| 3113 | V | 30.8 | Very low | 29.9 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -114.3 | 131.4 | 151.8 | -178.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 3114 | D | 31.8 | Very low | 29.9 | Very low | 135.5 Ų | 135.5 | 141.8 Ų | 141.8 | 73% | 0.725 | 74% | 0.743 | S | S | * | * | -105.1 | 167.1 | 107.7 | -108.7 | -39.9 | 0 | 0 | 0 | 114.2 | |||||
| 3115 | T | 32.3 | Very low | 30.1 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | 105.4 | 118 | 129.7 | 44.3 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 3116 | N | 31.7 | Very low | 30 | Very low | 142.5 Ų | 142.5 | 142.9 Ų | 142.9 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | 44.4 | 133.5 | 131 | -79.8 | 20.1 | 0 | 0 | 0 | 120.1 | ||||
| 3117 | E | 31 | Very low | 30 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | cis | 179.5 | 151.4 | 46 | -104.7 | 178.5 | 156 | 0 | 0 | 112.5 | ||||
| 3118 | L | 31.1 | Very low | 30.1 | Very low | 130 Ų | 130 | 147.8 Ų | 147.8 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | trans | 51.6 | 113.3 | 150.3 | -91.6 | 68.1 | 0 | 0 | 0 | 122.3 | ||||
| 3119 | R | 30.5 | Very low | 30.3 | Very low | 227 Ų | 227 | 149 Ų | 149 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | 52.7 | 136.7 | 122.7 | -72.6 | 176.9 | 174.2 | 171.9 | -1.8 | 120.3 | |||||
| 3120 | S | 29.3 | Very low | 30.4 | Very low | 98 Ų | 98 | 150.9 Ų | 150.9 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | cis | 135.1 | 138.8 | 43.2 | 65.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 3121 | K | 31.2 | Very low | 30.3 | Very low | 186 Ų | 186 | 149.3 Ų | 149.3 | 81% | 0.809 | 77% | 0.771 | S | S | * | * | trans | 76.6 | 115.1 | 150.4 | -78.1 | -175.7 | 174.2 | -175 | 0 | 120.8 | ||||
| 3122 | T | 27.3 | Very low | 30.4 | Very low | 118.5 Ų | 118.5 | 144.7 Ų | 144.7 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 39.5 | 127.8 | 131 | 50.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 3123 | E | 30 | Very low | 30.4 | Very low | 174 Ų | 174 | 149 Ų | 149 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | 140.7 | 145.9 | 145.2 | -87.2 | 177.9 | 158.8 | 0 | 0 | 113.8 | ||||
| 3124 | R | 28 | Very low | 30.4 | Very low | 206.5 Ų | 206.5 | 145.8 Ų | 145.8 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | -127.6 | 157 | -101 | -96.3 | 176.8 | -172.1 | 175.7 | 0.8 | 107.1 | |||||
| 3125 | E | 28.9 | Very low | 30.4 | Very low | 176.5 Ų | 176.5 | 145.7 Ų | 145.7 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -24 | 149.8 | 156.7 | -78.9 | 169.1 | -165.7 | 0 | 0 | 112.6 | ||||
| 3126 | V | 26.5 | Very low | 30.3 | Very low | 105 Ų | 105 | 147 Ų | 147 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | -133.3 | 161.7 | -112.7 | 127.8 | 0 | 0 | 0 | 0 | 107.7 | Q3128 | V3126-Q3128 HydrophobicContact CG1-CG 3.92Š| |||
| 3127 | Y | 29.1 | Very low | 30.2 | Very low | 213.5 Ų | 213.5 | 146.6 Ų | 146.6 | 84% | 0.837 | 77% | 0.771 | S | S | * | * | trans | -64.3 | 137.2 | 163.3 | -68.4 | -82.4 | 0 | 0 | 0 | 113.4 | ||||
| 3128 | Q | 28.8 | Very low | 30.1 | Very low | 169 Ų | 169 | 146.1 Ų | 146.1 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -150.8 | 155.2 | 134 | -120 | 167.5 | -2 | 0 | 0 | 114.4 | V3126 | V3126-Q3128 HydrophobicContact CG1-CG 3.92Š| ||
| 3129 | L | 32.7 | Very low | 29.9 | Very low | 149 Ų | 149 | 146.9 Ų | 146.9 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | -2.2 | 168.5 | 151 | -70.8 | 167.5 | 0 | 0 | 0 | 116.2 | ||||
| 3130 | P | 33.9 | Very low | 29.8 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | cis | -142.7 | 174.3 | 17.2 | 35.3 | -12.3 | 0 | 0 | 0 | 117.3 | ||||
| 3131 | G | 31 | Very low | 29.7 | Very low | 68 Ų | 68 | 143.1 Ų | 143.1 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | 111 | 135.2 | 130.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 3132 | S | 31.3 | Very low | 29.6 | Very low | 108.5 Ų | 108.5 | 141.2 Ų | 141.2 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | cis | 132.1 | 142.3 | 25.6 | 70.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 3133 | E | 32.3 | Very low | 29.7 | Very low | 187.5 Ų | 187.5 | 143.2 Ų | 143.2 | 88% | 0.876 | 77% | 0.769 | S | S | * | * | 146.4 | 150.5 | 80.1 | -63.9 | 171.6 | 160.5 | 0 | 0 | 115.2 | |||||
| 3134 | G | 30.1 | Very low | 29.7 | Very low | 68.5 Ų | 68.5 | 142.5 Ų | 142.5 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | 99.6 | 110 | 71.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 3135 | V | 31.2 | Very low | 29.7 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | 123.1 | 138.2 | 59.9 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 3136 | D | 29.6 | Very low | 29.9 | Very low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | 52.4 | 150.8 | 158.1 | -63 | -29.1 | 0 | 0 | 0 | 124.5 | ||||
| 3137 | V | 30.7 | Very low | 30.1 | Very low | 133.5 Ų | 133.5 | 140.2 Ų | 140.2 | 81% | 0.809 | 78% | 0.784 | S | S | * | * | trans | 100.2 | 115.7 | 142.7 | -151.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 3138 | L | 28.6 | Very low | 30.3 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -101.1 | 139.9 | 132.9 | -124.9 | 79.4 | 0 | 0 | 0 | 117.4 | ||||
| 3139 | L | 27.3 | Very low | 30.4 | Very low | 146.5 Ų | 146.5 | 142.5 Ų | 142.5 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | trans | -6.8 | 138.3 | 143.6 | -162.1 | 73.3 | 0 | 0 | 0 | 115.2 | ||||
| 3140 | D | 27.7 | Very low | 30.3 | Very low | 126.5 Ų | 126.5 | 141.3 Ų | 141.3 | 68% | 0.676 | 79% | 0.79 | S | S | * | * | trans | 81.9 | 120.5 | 161 | -76.9 | -32.3 | 0 | 0 | 0 | 120.5 | ||||
| 3141 | V | 28.5 | Very low | 30.3 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | 124 | 117.1 | 117.1 | 159.8 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 3142 | L | 29 | Very low | 30.9 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | 60.1 | 109.8 | 147 | -66.2 | 168.9 | 0 | 0 | 0 | 121.3 | ||||
| 3143 | Q | 29 | Very low | 31.7 | Very low | 160.5 Ų | 160.5 | 149.1 Ų | 149.1 | 75% | 0.75 | 80% | 0.8 | S | S | * | * | 61.6 | 125 | 121.7 | -76.8 | 175.3 | -2.4 | 0 | 0 | 120.5 | |||||
| 3144 | L | 28.7 | Very low | 33.3 | Very low | 160 Ų | 160 | 146.6 Ų | 146.6 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | 72 | 100.9 | 140.7 | -63.3 | 160.4 | 0 | 0 | 0 | 119 | ||||
| 3145 | A | 29.8 | Very low | 35.3 | Very low | 101.5 Ų | 101.5 | 149.7 Ų | 149.7 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | 174.7 | 144.2 | 109.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V3147 | A3145-V3147 PolarHBondContact O-N 2.9Š| |||
| 3146 | K | 31.3 | Very low | 37.8 | Very low | 208.5 Ų | 208.5 | 146.4 Ų | 146.4 | 91% | 0.907 | 76% | 0.76 | S | S | * | * | trans | -64.4 | 118.6 | -177.8 | -62.2 | 166.4 | 176.9 | 172.6 | 0 | 114.1 | ||||
| 3147 | V | 32.3 | Very low | 40.5 | Very low | 129.5 Ų | 129.5 | 139.5 Ų | 139.5 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | trans | -150.5 | 131.8 | 149.6 | -175.5 | 0 | 0 | 0 | 0 | 110.8 | A3145 | A3145-V3147 PolarHBondContact O-N 2.9Š| ||
| 3148 | K | 33.2 | Very low | 43 | Very low | 199.5 Ų | 199.5 | 136.8 Ų | 136.8 | 87% | 0.867 | 71% | 0.707 | S | S | * | * | trans | -72.3 | 137.1 | 175.3 | -67.9 | 177.2 | 175.3 | 179.9 | 0 | 112.1 | ||||
| 3149 | R | 30.7 | Very low | 45.7 | Very low | 232 Ų | 232 | 132.1 Ų | 132.1 | 88% | 0.875 | 68% | 0.682 | S | S | * | * | trans | -163.6 | 151.3 | 158.6 | -81.2 | 173.6 | -169.7 | -168.3 | 4.1 | 109.8 | ||||
| 3150 | P | 30.9 | Very low | 48.4 | Very low | 122.5 Ų | 122.5 | 129.1 Ų | 129.1 | 80% | 0.795 | 67% | 0.67 | S | S | * | * | -95.2 | 142.2 | -116.7 | 32.1 | -26.4 | 0 | 0 | 0 | 112.8 | K3152 | P3150-K3152 PolarHBondContact O-N 3.45Š| |||
| 3151 | T | 32.3 | Very low | 51.1 | Low | 133.5 Ų | 133.5 | 126.7 Ų | 126.7 | 82% | 0.819 | 66% | 0.655 | S | S | * | * | trans | -64.8 | 123.4 | 167.4 | 24.7 | 0 | 0 | 0 | 0 | 110.7 | T3153 | T3151-T3153 VanDerWaalsContact C-N 3.29Å; T3151-T3153 PolarHBondContact O-N 3.08Å | ||
| 3152 | K | 45.3 | Very low | 53.9 | Low | 207.5 Ų | 207.5 | 123.9 Ų | 123.9 | 90% | 0.902 | 64% | 0.639 | S | S | * | * | trans | -73 | 98.9 | 167.6 | -83.3 | -175.9 | 174.7 | 179.7 | 0 | 109.1 | P3150 R3154 | P3150-K3152 PolarHBondContact O-N 3.45Å; K3152-R3154 PolarHBondContact O-N 2.88Å | ||
| 3153 | T | 47.4 | Very low | 56.7 | Low | 124 Ų | 124 | 117.3 Ų | 117.3 | 76% | 0.761 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 129.6 | 169.9 | 32.4 | 0 | 0 | 0 | 0 | 110.1 | T3151 Q3155 | T3151-T3153 VanDerWaalsContact C-N 3.29Å; T3151-T3153 PolarHBondContact O-N 3.08Å; T3153-Q3155 PolarHBondContact O-N 3.01Å |
| 3154 | R | 66.2 | Low | 59.2 | Low | 136.5 Ų | 136.5 | 115.2 Ų | 115.2 | 52% | 0.515 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 128 | 172.9 | -72 | -176.5 | 175.1 | -159.6 | -4.9 | 108.8 | K3152 S3223 A3224 | K3152-R3154 PolarHBondContact O-N 2.88Å; R3154-S3223 VanDerWaalsContact CD-OG 3.29Å; R3154-S3223 WeakPolarHBondContact CD-OG 3.38Å; R3154-S3223 PolarHBondContact NH1-OG 2.85Å; R3154-A3224 HydrophobicContact CB-CB 3.9Å; R3154-A3224 WeakPolarHBondContact O-CB 3.49Å |
| 3155 | Q | 72.6 | Confident | 61.8 | Low | 132 Ų | 132 | 112.2 Ų | 112.2 | 62% | 0.617 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 132.4 | 174.4 | -68.9 | -178.2 | -20.5 | 0 | 0 | 110 | T3153 S3183 N3222 | T3153-Q3155 PolarHBondContact O-N 3.01Å; Q3155-S3183 PolarHBondContact N-OG 3.07Å; Q3155-S3183 WeakPolarHBondContact O-CB 3.29Å; Q3155-S3183 PolarHBondContact O-N 2.77Å; Q3155-S3183 VanDerWaalsContact O-N 3.08Å; Q3155-N3222 PolarHBondContact O-ND2 2.9Å |
| 3156 | P | 82.6 | Confident | 64.2 | Low | 63 Ų | 63 | 109.1 Ų | 109.1 | 41% | 0.409 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -61.8 | 158.9 | 172 | 28 | -34.8 | 0 | 0 | 0 | 110.8 | ||
| 3157 | P | 86.5 | Confident | 66.2 | Low | 2.5 Ų | 2.5 | 106.2 Ų | 106.2 | 2% | 0.016 | 55% | 0.545 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 144.3 | 174.1 | 28.6 | -34.5 | 0 | 0 | 0 | 110.8 | T3181 L3186 V3220 N3222 G3225 V3227 | P3157-T3181 CarbonylContact C-O 3.34Å; P3157-T3181 WeakPolarHBondContact CA-O 3.35Å; P3157-L3186 HydrophobicContact CB-CD2 3.85Å; P3157-V3220 HydrophobicContact CB-CB 4.22Å; P3157-V3220 HydrophobicContact CB-CG1 3.87Å; P3157-V3220 WeakPolarHBondContact CG-O 3.5Å; P3157-N3222 WeakPolarHBondContact CD-OD1 3.5Å; P3157-G3225 VanDerWaalsContact CD-C 3.47Å; P3157-G3225 VanDerWaalsContact CD-O 3.23Å; P3157-G3225 WeakPolarHBondContact CD-O 3.45Å; P3157-G3225 WeakPolarHBondContact CG-O 3.42Å; P3157-V3227 HydrophobicContact CB-CG2 3.81Å; P3157-V3227 HydrophobicContact CG-CG1 4.45Å; P3157-V3227 HydrophobicContact CG-CG2 3.93Å; P3157-V3227 WeakPolarHBondContact O-CG1 3.04Å |
| 3158 | T | 83.8 | Confident | 67.9 | Low | 75.5 Ų | 75.5 | 100.2 Ų | 100.2 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 131.5 | 178.7 | -57.2 | 0 | 0 | 0 | 0 | 109 | V3160 F3180 T3181 | T3158-V3160 PolarHBondContact O-N 3.29Å; T3158-F3180 CarbonylContact O-C 3.51Å; T3158-F3180 WeakPolarHBondContact O-CA 3.45Å; T3158-F3180 WeakPolarHBondContact O-CB 3.45Å; T3158-T3181 PolarHBondContact N-O 3.03Å; T3158-T3181 PolarHBondContact O-N 3.27Å |
| 3159 | I | 85.2 | Confident | 69.4 | Low | 48 Ų | 48 | 94.4 Ų | 94.4 | 25% | 0.246 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 120.9 | 176.1 | -67.4 | 153.8 | 0 | 0 | 0 | 108.9 | P3162 Q3179 V3227 Q3228 | I3159-P3162 HydrophobicContact CG2-CB 4.04Å; I3159-Q3179 CarbonylContact C-O 3.44Å; I3159-V3227 HydrophobicContact CD1-CB 3.94Å; I3159-V3227 HydrophobicContact CD1-CG2 3.98Å; I3159-V3227 HydrophobicContact CG1-CB 4.34Å; I3159-V3227 HydrophobicContact CG1-CG2 3.88Å; I3159-Q3228 VanDerWaalsContact CD1-C 3.45Å; I3159-Q3228 WeakPolarHBondContact CD1-O 3.26Å |
| 3160 | V | 84.5 | Confident | 70.7 | Confident | 84.5 Ų | 84.5 | 86.1 Ų | 86.1 | 51% | 0.512 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -36.4 | 176.6 | -179.6 | 0 | 0 | 0 | 0 | 110.6 | T3158 Q3179 T3181 | T3158-V3160 PolarHBondContact O-N 3.29Å; V3160-Q3179 HydrophobicContact CB-CB 4.23Å; V3160-Q3179 PolarHBondContact N-O 2.74Å; V3160-T3181 HydrophobicContact CG2-CG2 3.71Å |
| 3161 | Q | 83.2 | Confident | 72 | Confident | 75.5 Ų | 75.5 | 82.1 Ų | 82.1 | 35% | 0.353 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 111.8 | 174.6 | -170.6 | -179.5 | 7.7 | 0 | 0 | 109 | C3178 Q3179 | Q3161-C3178 WeakPolarHBondContact O-CA 3.42Å; Q3161-C3178 PolarHBondContact O-SG 3.49Å; Q3161-Q3179 HydrophobicContact CB-CB 3.76Å; Q3161-Q3179 HydrophobicContact CB-CG 3.93Å; Q3161-Q3179 PolarHBondContact N-O 3.19Å; Q3161-Q3179 VanDerWaalsContact N-O 3.08Å; Q3161-Q3179 PolarHBondContact O-N 2.9Å |
| 3162 | P | 86.9 | Confident | 73.4 | Confident | 59.5 Ų | 59.5 | 81.1 Ų | 81.1 | 39% | 0.386 | 43% | 0.428 | S | S | . | . | trans | -73.4 | 158.7 | 178.5 | 30.7 | -34.4 | 0 | 0 | 0 | 111.6 | I3159 Q3164 S3229 | I3159-P3162 HydrophobicContact CG2-CB 4.04Å; P3162-Q3164 PolarHBondContact O-NE2 2.87Å; P3162-S3229 VanDerWaalsContact CA-OG 3.3Å; P3162-S3229 WeakPolarHBondContact CA-OG 3.36Å; P3162-S3229 VanDerWaalsContact CB-OG 3.32Å; P3162-S3229 WeakPolarHBondContact CB-OG 3.45Å | ||
| 3163 | L | 87.6 | Confident | 74.1 | Confident | 7 Ų | 7 | 77.7 Ų | 77.7 | 4% | 0.037 | 41% | 0.413 | C | S | . | . | trans | -55.3 | 142.9 | 168.3 | -65 | 178.6 | 0 | 0 | 0 | 110.4 | L3176 C3178 W3190 Y3216 V3218 S3229 A3231 | L3163-L3176 HydrophobicContact CD2-CB 4.18Å; L3163-C3178 HydrophobicContact CD2-CB 3.75Å; L3163-C3178 HydrophobicContact CG-CB 4.11Å; L3163-W3190 HydrophobicContact CD1-CH2 4.35Å; L3163-W3190 HydrophobicContact CD1-CZ3 3.96Å; L3163-W3190 HydrophobicContact CD2-CH2 3.79Å; L3163-W3190 HydrophobicContact CD2-CZ3 3.97Å; L3163-W3190 HydrophobicContact CG-CZ3 4.46Å; L3163-Y3216 WeakPolarHBondContact CD1-O 3.28Å; L3163-V3218 HydrophobicContact CD1-CG1 3.96Å; L3163-V3218 HydrophobicContact CG-CG1 4.17Å; L3163-S3229 WeakPolarHBondContact CD1-O 3.37Å; L3163-S3229 PolarHBondContact N-OG 2.75Å; L3163-A3231 HydrophobicContact CB-CB 3.5Å; L3163-A3231 HydrophobicContact CD1-CB 4.44Å | ||
| 3164 | Q | 81.8 | Confident | 75 | Confident | 117 Ų | 117 | 72.9 Ų | 72.9 | 55% | 0.547 | 38% | 0.383 | S | S | . | . | trans | -110.8 | 142.2 | 175.7 | -64.6 | -62.7 | -53.8 | 0 | 0 | 109.7 | P3162 V3166 A3231 | P3162-Q3164 PolarHBondContact O-NE2 2.87Å; Q3164-V3166 WeakPolarHBondContact O-CG2 3.29Å; Q3164-A3231 VanDerWaalsContact C-CB 3.46Å; Q3164-A3231 VanDerWaalsContact O-CB 3.31Å; Q3164-A3231 WeakPolarHBondContact O-CB 3.48Å | ||
| 3165 | P | 83.8 | Confident | 75.1 | Confident | 96 Ų | 96 | 71.5 Ų | 71.5 | 62% | 0.623 | 38% | 0.383 | S | S | * | . | trans | -59.7 | 139.3 | 172.8 | 0.9 | 1.2 | 0 | 0 | 0 | 111.1 | K3232 | P3165-K3232 WeakPolarHBondContact CA-O 3.23Š| ||
| 3166 | V | 79 | Confident | 75.1 | Confident | 38 Ų | 38 | 65.8 Ų | 65.8 | 23% | 0.23 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 125.7 | -177.8 | -166.6 | 0 | 0 | 0 | 0 | 110.4 | Q3164 V3168 V3174 L3176 K3232 V3233 D3234 | Q3164-V3166 WeakPolarHBondContact O-CG2 3.29Å; V3166-V3168 HydrophobicContact CB-CG2 4.47Å; V3166-V3168 HydrophobicContact CG1-CG2 4Å; V3166-V3174 HydrophobicContact CB-CG1 4.46Å; V3166-V3174 HydrophobicContact CG1-CG1 4.04Å; V3166-V3174 HydrophobicContact CG1-CG2 3.99Å; V3166-L3176 HydrophobicContact CG2-CD2 3.79Å; V3166-K3232 PolarHBondContact N-O 2.93Å; V3166-V3233 WeakPolarHBondContact O-CA 3.36Å; V3166-D3234 PolarHBondContact O-N 3.31Å |
| 3167 | Q | 74.4 | Confident | 74.7 | Confident | 147 Ų | 147 | 66.2 Ų | 66.2 | 69% | 0.687 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 124.3 | 166.8 | -75.8 | -175.1 | -9 | 0 | 0 | 109.4 | D3234 V3236 | Q3167-D3234 CarbonylContact C-O 3.47Å; Q3167-D3234 WeakPolarHBondContact CA-O 3.28Å; Q3167-D3234 HydrophobicContact CG-CB 4.25Å; Q3167-V3236 HydrophobicContact CB-CG2 3.82Å; Q3167-V3236 HydrophobicContact CG-CG2 3.9Å |
| 3168 | V | 68.9 | Low | 74.5 | Confident | 3 Ų | 3 | 67.1 Ų | 67.1 | 2% | 0.018 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 126.2 | -170.6 | -158.9 | 0 | 0 | 0 | 0 | 111.7 | V3166 K3172 V3174 P3208 V3233 D3234 L3235 V3236 | V3166-V3168 HydrophobicContact CB-CG2 4.47Å; V3166-V3168 HydrophobicContact CG1-CG2 4Å; V3168-K3172 HydrophobicContact CG1-CB 4.34Å; V3168-V3174 HydrophobicContact CB-CG2 4.12Å; V3168-V3174 HydrophobicContact CG1-CB 4.15Å; V3168-V3174 HydrophobicContact CG1-CG2 3.39Å; V3168-V3174 VanDerWaalsContact CG1-CG2 3.48Å; V3168-V3174 HydrophobicContact CG2-CB 4.2Å; V3168-V3174 HydrophobicContact CG2-CG1 4.24Å; V3168-V3174 HydrophobicContact CG2-CG2 3.68Å; V3168-P3208 HydrophobicContact CB-CG 4.33Å; V3168-P3208 HydrophobicContact CG1-CG 3.71Å; V3168-V3233 HydrophobicContact CG2-CG1 3.8Å; V3168-D3234 PolarHBondContact N-O 2.75Å; V3168-L3235 HydrophobicContact CB-CD1 4.38Å; V3168-L3235 CarbonylContact O-C 3.56Å; V3168-L3235 WeakPolarHBondContact O-CA 3.24Å; V3168-V3236 PolarHBondContact O-N 2.94Å |
| 3169 | E | 63.5 | Low | 74.4 | Confident | 77 Ų | 77 | 67.7 Ų | 67.7 | 36% | 0.36 | 36% | 0.361 | S | S | . | . | trans | -74 | 133.6 | 168.5 | -66.5 | 169.6 | -158.3 | 0 | 0 | 110.7 | G3171 K3172 V3236 | E3169-G3171 PolarHBondContact O-N 2.89Å; E3169-K3172 HydrophobicContact CB-CD 4.11Å; E3169-K3172 HydrophobicContact CB-CG 4.25Å; E3169-K3172 WeakPolarHBondContact O-CB 3.43Å; E3169-K3172 PolarHBondContact O-N 3.12Å; E3169-K3172 IonicContact OE1-NZ 2.63Å; E3169-K3172 PolarHBondContact OE1-NZ 2.87Å; E3169-K3172 VanDerWaalsContact OE2-CE 3.23Å; E3169-K3172 WeakPolarHBondContact OE2-CE 3.38Å; E3169-K3172 IonicContact OE2-NZ 2.69Å; E3169-K3172 PolarHBondContact OE2-NZ 3.18Å; E3169-V3236 VanDerWaalsContact CA-O 3.29Å; E3169-V3236 WeakPolarHBondContact CA-O 2.97Å | ||
| 3170 | S | 57.4 | Low | 74.4 | Confident | 58.5 Ų | 58.5 | 67.7 Ų | 67.7 | 41% | 0.409 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | 121.5 | -179.7 | -169.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 3171 | G | 58.4 | Low | 74.4 | Confident | 38.5 Ų | 38.5 | 67.1 Ų | 67.1 | 40% | 0.397 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -4.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 117 | E3169 F3207 | E3169-G3171 PolarHBondContact O-N 2.89Å; G3171-F3207 WeakPolarHBondContact O-CD1 3.34Å |
| 3172 | K | 62.6 | Low | 74.3 | Confident | 113 Ų | 113 | 64.5 Ų | 64.5 | 49% | 0.491 | 35% | 0.35 | S | S | . | . | trans | -84.5 | 139.1 | 170.5 | -72 | -172.6 | 177.7 | 167 | 0 | 111.3 | V3168 E3169 P3208 | V3168-K3172 HydrophobicContact CG1-CB 4.34Å; E3169-K3172 HydrophobicContact CB-CD 4.11Å; E3169-K3172 HydrophobicContact CB-CG 4.25Å; E3169-K3172 WeakPolarHBondContact O-CB 3.43Å; E3169-K3172 PolarHBondContact O-N 3.12Å; E3169-K3172 IonicContact OE1-NZ 2.63Å; E3169-K3172 PolarHBondContact OE1-NZ 2.87Å; E3169-K3172 VanDerWaalsContact OE2-CE 3.23Å; E3169-K3172 WeakPolarHBondContact OE2-CE 3.38Å; E3169-K3172 IonicContact OE2-NZ 2.69Å; E3169-K3172 PolarHBondContact OE2-NZ 3.18Å; K3172-P3208 VanDerWaalsContact O-CD 3.31Å; K3172-P3208 WeakPolarHBondContact O-CD 3.4Å | ||
| 3173 | K | 59.7 | Low | 74 | Confident | 135 Ų | 135 | 63.3 Ų | 63.3 | 59% | 0.587 | 34% | 0.343 | S | S | * | . | trans | -69.2 | 136.7 | 173 | -65.9 | -173.3 | 179.1 | -176 | 0 | 110 | T3206 F3207 | K3173-T3206 HydrophobicContact CD-CG2 4.1Å; K3173-T3206 HydrophobicContact CG-CG2 4.12Å; K3173-F3207 HydrophobicContact CG-CE1 4.28Å | ||
| 3174 | V | 66.1 | Low | 73.7 | Confident | 24.5 Ų | 24.5 | 69.1 Ų | 69.1 | 15% | 0.148 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 144 | 175.3 | 150.7 | 0 | 0 | 0 | 0 | 111.3 | V3166 V3168 L3176 | V3166-V3174 HydrophobicContact CB-CG1 4.46Å; V3166-V3174 HydrophobicContact CG1-CG1 4.04Å; V3166-V3174 HydrophobicContact CG1-CG2 3.99Å; V3168-V3174 HydrophobicContact CB-CG2 4.12Å; V3168-V3174 HydrophobicContact CG1-CB 4.15Å; V3168-V3174 HydrophobicContact CG1-CG2 3.39Å; V3168-V3174 VanDerWaalsContact CG1-CG2 3.48Å; V3168-V3174 HydrophobicContact CG2-CB 4.2Å; V3168-V3174 HydrophobicContact CG2-CG1 4.24Å; V3168-V3174 HydrophobicContact CG2-CG2 3.68Å; V3174-L3176 HydrophobicContact CG1-CD2 4.5Å |
| 3175 | Q | 68.2 | Low | 73.7 | Confident | 106.5 Ų | 106.5 | 67.6 Ų | 67.6 | 50% | 0.498 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 123.7 | 180 | -123.4 | 178.7 | -6.4 | 0 | 0 | 108.8 | K3104 L3105 T3177 | K3104-Q3175 PolarHBondContact O-NE2 3.41Å; L3105-Q3175 HydrophobicContact CD1-CB 3.93Å; L3105-Q3175 HydrophobicContact CD1-CG 3.93Å; L3105-Q3175 HydrophobicContact CD2-CB 4.06Å; L3105-Q3175 HydrophobicContact CD2-CG 4.02Å; L3105-Q3175 HydrophobicContact CG-CB 4.19Å; L3105-Q3175 HydrophobicContact CG-CG 3.84Å; Q3175-T3177 HydrophobicContact CG-CG2 4.03Å |
| 3176 | L | 73.5 | Confident | 73.6 | Confident | 12.5 Ų | 12.5 | 63.8 Ų | 63.8 | 7% | 0.065 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 119.5 | 173.8 | -67.5 | 176.5 | 0 | 0 | 0 | 108.3 | L3163 V3166 V3174 W3190 Y3216 V3233 | L3163-L3176 HydrophobicContact CD2-CB 4.18Å; V3166-L3176 HydrophobicContact CG2-CD2 3.79Å; V3174-L3176 HydrophobicContact CG1-CD2 4.5Å; L3176-W3190 HydrophobicContact CB-CH2 4.04Å; L3176-W3190 HydrophobicContact CB-CZ3 4.06Å; L3176-W3190 HydrophobicContact CD1-CZ3 4.23Å; L3176-W3190 WeakPolarHBondContact O-CH2 3.27Å; L3176-Y3216 HydrophobicContact CD1-CD1 4.29Å; L3176-Y3216 HydrophobicContact CD1-CD2 4.06Å; L3176-Y3216 HydrophobicContact CD1-CG 3.81Å; L3176-V3233 HydrophobicContact CD1-CG2 4.03Å; L3176-V3233 HydrophobicContact CD2-CG2 4.01Å; L3176-V3233 HydrophobicContact CG-CG2 4.45Å |
| 3177 | T | 73.9 | Confident | 73.8 | Confident | 71 Ų | 71 | 68.6 Ų | 68.6 | 44% | 0.436 | 36% | 0.362 | S | S | . | . | trans | -117.1 | 124 | -176.2 | 56.3 | 0 | 0 | 0 | 0 | 111.3 | L3105 Q3175 | L3105-T3177 HydrophobicContact CD2-CG2 4.14Å; Q3175-T3177 HydrophobicContact CG-CG2 4.03Å | ||
| 3178 | C | 81.2 | Confident | 74.4 | Confident | 21.5 Ų | 21.5 | 62 Ų | 62 | 15% | 0.145 | 33% | 0.332 | C | S | . | . | trans | -124 | 134.5 | 169.9 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | Q3161 L3163 V3218 | Q3161-C3178 WeakPolarHBondContact O-CA 3.42Å; Q3161-C3178 PolarHBondContact O-SG 3.49Å; L3163-C3178 HydrophobicContact CD2-CB 3.75Å; L3163-C3178 HydrophobicContact CG-CB 4.11Å; C3178-V3218 HydrophobicContact CB-CG1 3.79Å | ||
| 3179 | Q | 82.5 | Confident | 75.3 | Confident | 88.5 Ų | 88.5 | 62.3 Ų | 62.3 | 41% | 0.414 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 138.8 | 173.6 | -58.8 | -175.3 | 13.3 | 0 | 0 | 110 | I3159 V3160 Q3161 | I3159-Q3179 CarbonylContact C-O 3.44Å; V3160-Q3179 HydrophobicContact CB-CB 4.23Å; V3160-Q3179 PolarHBondContact N-O 2.74Å; Q3161-Q3179 HydrophobicContact CB-CB 3.76Å; Q3161-Q3179 HydrophobicContact CB-CG 3.93Å; Q3161-Q3179 PolarHBondContact N-O 3.19Å; Q3161-Q3179 VanDerWaalsContact N-O 3.08Å; Q3161-Q3179 PolarHBondContact O-N 2.9Å |
| 3180 | F | 85.9 | Confident | 76.5 | Confident | 47 Ų | 47 | 58.9 Ų | 58.9 | 21% | 0.206 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 156.1 | -179.7 | 49.7 | -92.6 | 0 | 0 | 0 | 111.1 | T3158 L3186 T3188 F3201 V3220 | T3158-F3180 CarbonylContact O-C 3.51Å; T3158-F3180 WeakPolarHBondContact O-CA 3.45Å; T3158-F3180 WeakPolarHBondContact O-CB 3.45Å; F3180-L3186 HydrophobicContact CD2-CD1 4.19Å; F3180-L3186 HydrophobicContact CE2-CD1 4.17Å; F3180-T3188 HydrophobicContact CE1-CG2 4.18Å; F3180-T3188 HydrophobicContact CE2-CG2 4.16Å; F3180-T3188 HydrophobicContact CZ-CG2 3.63Å; F3180-T3188 VanDerWaalsContact CZ-CG2 3.4Å; F3180-F3201 HydrophobicContact CZ-CD1 4.08Å; F3180-V3220 HydrophobicContact CB-CG2 4.36Å; F3180-V3220 HydrophobicContact CD1-CG2 3.75Å; F3180-V3220 HydrophobicContact CD2-CG1 3.78Å; F3180-V3220 HydrophobicContact CD2-CG2 4.29Å; F3180-V3220 HydrophobicContact CE1-CG2 4.12Å; F3180-V3220 HydrophobicContact CE2-CG1 4.05Å; F3180-V3220 HydrophobicContact CG-CG1 4.15Å; F3180-V3220 HydrophobicContact CG-CG2 3.86Å |
| 3181 | T | 84.3 | Confident | 78.1 | Confident | 73 Ų | 73 | 57.6 Ų | 57.6 | 45% | 0.448 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 162 | 173.6 | 121.2 | 0 | 0 | 0 | 0 | 109.3 | P3157 T3158 V3160 | P3157-T3181 CarbonylContact C-O 3.34Å; P3157-T3181 WeakPolarHBondContact CA-O 3.35Å; T3158-T3181 PolarHBondContact N-O 3.03Å; T3158-T3181 PolarHBondContact O-N 3.27Å; V3160-T3181 HydrophobicContact CG2-CG2 3.71Å |
| 3182 | G | 80.1 | Confident | 79.4 | Confident | 21.5 Ų | 21.5 | 57.5 Ų | 57.5 | 22% | 0.222 | 29% | 0.293 | C | S | . | . | trans | 164.6 | 163.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 3183 | S | 81.6 | Confident | 80.4 | Confident | 32.5 Ų | 32.5 | 56.5 Ų | 56.5 | 23% | 0.227 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -71.6 | 133.5 | 174 | -67.1 | 0 | 0 | 0 | 0 | 111.3 | Q3155 N3222 | Q3155-S3183 PolarHBondContact N-OG 3.07Å; Q3155-S3183 WeakPolarHBondContact O-CB 3.29Å; Q3155-S3183 PolarHBondContact O-N 2.77Å; Q3155-S3183 VanDerWaalsContact O-N 3.08Å; S3183-N3222 PolarHBondContact N-ND2 2.84Å; S3183-N3222 PolarHBondContact O-ND2 2.75Å |
| 3184 | Q | 79.9 | Confident | 81.2 | Confident | 129.5 Ų | 129.5 | 52.8 Ų | 52.8 | 61% | 0.605 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -69.5 | 152.6 | 176.7 | -66.4 | -67.8 | -8.7 | 0 | 0 | 111.7 | ||
| 3185 | P | 82.3 | Confident | 81.9 | Confident | 85 Ų | 85 | 61.1 Ų | 61.1 | 55% | 0.552 | 32% | 0.322 | S | S | * | . | S | Bend | cis | -79.9 | 133.8 | -1.9 | 32 | -33.2 | 0 | 0 | 0 | 112.4 | N3222 | P3185-N3222 VanDerWaalsContact O-CB 3.29Å; P3185-N3222 WeakPolarHBondContact O-CB 3.29Å |
| 3186 | L | 81.3 | Confident | 82.7 | Confident | 16.5 Ų | 16.5 | 62.1 Ų | 62.1 | 9% | 0.086 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -92.3 | 143.3 | 169.7 | -68.7 | 163.7 | 0 | 0 | 0 | 110 | P3157 F3180 F3201 V3220 E3221 N3222 | P3157-L3186 HydrophobicContact CB-CD2 3.85Å; F3180-L3186 HydrophobicContact CD2-CD1 4.19Å; F3180-L3186 HydrophobicContact CE2-CD1 4.17Å; L3186-F3201 HydrophobicContact CB-CE1 4.35Å; L3186-F3201 WeakPolarHBondContact O-CZ 3.3Å; L3186-V3220 HydrophobicContact CD2-CG1 3.91Å; L3186-E3221 CarbonylContact C-O 3.57Å; L3186-E3221 WeakPolarHBondContact CA-O 3.28Å; L3186-N3222 HydrophobicContact CD2-CB 4.08Å |
| 3187 | K | 84 | Confident | 83.2 | Confident | 139 Ų | 139 | 64.6 Ų | 64.6 | 60% | 0.604 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 146.9 | 167.2 | -62.9 | -178.5 | 180 | -179 | 0 | 109.4 | V3220 E3221 | K3187-V3220 WeakPolarHBondContact O-CA 3.24Å; K3187-E3221 HydrophobicContact CB-CG 3.87Å; K3187-E3221 PolarHBondContact N-O 3.38Å; K3187-E3221 PolarHBondContact O-N 2.56Å |
| 3188 | T | 86.4 | Confident | 83.7 | Confident | 9 Ų | 9 | 62.8 Ų | 62.8 | 6% | 0.055 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 147.4 | 177.7 | 51.6 | 0 | 0 | 0 | 0 | 112.1 | F3180 D3199 S3200 F3201 T3219 V3220 | F3180-T3188 HydrophobicContact CE1-CG2 4.18Å; F3180-T3188 HydrophobicContact CE2-CG2 4.16Å; F3180-T3188 HydrophobicContact CZ-CG2 3.63Å; F3180-T3188 VanDerWaalsContact CZ-CG2 3.4Å; T3188-D3199 CarbonylContact O-C 3.52Å; T3188-S3200 PolarHBondContact OG1-O 3.08Å; T3188-F3201 HydrophobicContact CG2-CD1 3.49Å; T3188-F3201 VanDerWaalsContact CG2-CD1 3.49Å; T3188-F3201 HydrophobicContact CG2-CE1 3.68Å; T3188-F3201 HydrophobicContact CG2-CG 4.42Å; T3188-F3201 VanDerWaalsContact OG1-CA 3.29Å; T3188-F3201 WeakPolarHBondContact OG1-CA 3.45Å; T3188-F3201 WeakPolarHBondContact OG1-CD1 3.36Å; T3188-F3201 WeakPolarHBondContact OG1-CG 3.28Å; T3188-F3201 PolarHBondContact OG1-N 2.64Å; T3188-T3219 VanDerWaalsContact CA-O 3.25Å; T3188-T3219 WeakPolarHBondContact CA-O 3.34Å; T3188-V3220 HydrophobicContact CG2-CB 4.41Å; T3188-V3220 HydrophobicContact CG2-CG1 4.06Å; T3188-V3220 HydrophobicContact CG2-CG2 4.13Å |
| 3189 | F | 88.9 | Confident | 83.7 | Confident | 8.5 Ų | 8.5 | 66.9 Ų | 66.9 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 152.4 | 168.9 | 62.1 | -92.5 | 0 | 0 | 0 | 111.9 | E3191 R3196 S3198 D3199 V3218 T3219 | F3189-E3191 HydrophobicContact CD2-CG 3.95Å; F3189-E3191 HydrophobicContact CE2-CG 4.07Å; F3189-R3196 VanDerWaalsContact CB-CZ 3.5Å; F3189-R3196 VanDerWaalsContact CB-NH2 3.35Å; F3189-R3196 HydrophobicContact CD2-CG 4.44Å; F3189-S3198 CarbonylContact C-O 3.57Å; F3189-S3198 VanDerWaalsContact CA-O 3.3Å; F3189-S3198 WeakPolarHBondContact CA-O 3.34Å; F3189-S3198 WeakPolarHBondContact CB-O 3.33Å; F3189-D3199 VanDerWaalsContact CB-OD1 3.23Å; F3189-D3199 WeakPolarHBondContact CB-OD1 3.43Å; F3189-V3218 WeakPolarHBondContact O-CA 3.35Å; F3189-T3219 HydrophobicContact CD1-CG2 4.14Å; F3189-T3219 HydrophobicContact CE1-CG2 3.42Å; F3189-T3219 VanDerWaalsContact CE1-CG2 3.42Å; F3189-T3219 HydrophobicContact CE2-CG2 4.05Å; F3189-T3219 WeakPolarHBondContact CE2-OG1 3.32Å; F3189-T3219 VanDerWaalsContact CZ-CB 3.48Å; F3189-T3219 HydrophobicContact CZ-CG2 3.37Å; F3189-T3219 PolarHBondContact N-O 2.86Å; F3189-T3219 PolarHBondContact O-N 2.78Å |
| 3190 | W | 89.2 | Confident | 83.5 | Confident | 6 Ų | 6 | 64.7 Ų | 64.7 | 2% | 0.023 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 141.7 | -179.4 | -67.3 | 78.1 | 0 | 0 | 0 | 110.6 | L3163 L3176 R3196 I3197 S3198 S3200 F3203 T3217 V3218 | L3163-W3190 HydrophobicContact CD1-CH2 4.35Å; L3163-W3190 HydrophobicContact CD1-CZ3 3.96Å; L3163-W3190 HydrophobicContact CD2-CH2 3.79Å; L3163-W3190 HydrophobicContact CD2-CZ3 3.97Å; L3163-W3190 HydrophobicContact CG-CZ3 4.46Å; L3176-W3190 HydrophobicContact CB-CH2 4.04Å; L3176-W3190 HydrophobicContact CB-CZ3 4.06Å; L3176-W3190 HydrophobicContact CD1-CZ3 4.23Å; L3176-W3190 WeakPolarHBondContact O-CH2 3.27Å; W3190-R3196 WeakPolarHBondContact O-CA 3.24Å; W3190-I3197 VanDerWaalsContact C-CG1 3.49Å; W3190-I3197 HydrophobicContact CB-CD1 4.06Å; W3190-I3197 HydrophobicContact CB-CG1 3.81Å; W3190-I3197 VanDerWaalsContact O-CG1 3.25Å; W3190-I3197 WeakPolarHBondContact O-CG1 3.39Å; W3190-I3197 PolarHBondContact O-N 3.08Å; W3190-S3198 PolarHBondContact N-O 3.14Å; W3190-S3198 PolarHBondContact O-N 2.71Å; W3190-S3200 VanDerWaalsContact CD1-O 3.31Å; W3190-S3200 PolarHBondContact NE1-O 3Å; W3190-S3200 VanDerWaalsContact NE1-O 3.15Å; W3190-F3203 HydrophobicContact CD2-CB 3.66Å; W3190-F3203 HydrophobicContact CD2-CD1 4.28Å; W3190-F3203 HydrophobicContact CD2-CG 4.2Å; W3190-F3203 HydrophobicContact CE3-CB 4.28Å; W3190-F3203 HydrophobicContact CE3-CD1 4.13Å; W3190-F3203 HydrophobicContact CG-CB 3.76Å; W3190-F3203 HydrophobicContact CG-CG 4.2Å; W3190-F3203 HydrophobicContact CZ2-CB 4.19Å; W3190-T3217 CarbonylContact C-O 3.53Å; W3190-T3217 WeakPolarHBondContact CA-O 3.45Å; W3190-V3218 HydrophobicContact CD2-CB 3.85Å; W3190-V3218 HydrophobicContact CD2-CG2 3.89Å; W3190-V3218 HydrophobicContact CE3-CB 3.87Å; W3190-V3218 HydrophobicContact CE3-CG2 4.41Å; W3190-V3218 HydrophobicContact CG-CG2 4.3Å; W3190-V3218 HydrophobicContact CH2-CB 4.1Å; W3190-V3218 HydrophobicContact CH2-CG1 4.45Å; W3190-V3218 HydrophobicContact CH2-CG2 4.42Å; W3190-V3218 HydrophobicContact CZ2-CB 4.06Å; W3190-V3218 HydrophobicContact CZ2-CG2 3.87Å; W3190-V3218 HydrophobicContact CZ3-CB 4Å |
| 3191 | E | 89.3 | Confident | 83 | Confident | 31 Ų | 31 | 67.8 Ų | 67.8 | 15% | 0.145 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 141.8 | 177.3 | -55.7 | 178.9 | 126.1 | 0 | 0 | 109.4 | K2439 F3189 R3195 R3196 Y3216 T3217 | K2439-E3191 WeakPolarHBondContact CD-OE2 3.39Å; K2439-E3191 IonicContact NZ-OE1 2.71Å; K2439-E3191 PolarHBondContact NZ-OE1 3.15Å; K2439-E3191 IonicContact NZ-OE2 3.25Å; K2439-E3191 PolarHBondContact NZ-OE2 3.44Å; F3189-E3191 HydrophobicContact CD2-CG 3.95Å; F3189-E3191 HydrophobicContact CE2-CG 4.07Å; E3191-R3195 CarbonylContact C-O 3.56Å; E3191-R3195 VanDerWaalsContact CA-O 3.22Å; E3191-R3195 WeakPolarHBondContact CA-O 3.14Å; E3191-R3196 HydrophobicContact CG-CB 4.34Å; E3191-R3196 HydrophobicContact CG-CG 4.36Å; E3191-Y3216 CarbonylContact O-C 3.55Å; E3191-Y3216 WeakPolarHBondContact O-CA 3.47Å; E3191-T3217 PolarHBondContact N-O 3.34Å; E3191-T3217 PolarHBondContact O-N 2.92Å |
| 3192 | K | 87.2 | Confident | 82.1 | Confident | 36.5 Ų | 36.5 | 68.5 Ų | 68.5 | 16% | 0.159 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 122 | 171 | -177.8 | -174.5 | -174.7 | -80.1 | 0 | 108.2 | G3194 R3195 I3197 N3211 V3213 T3215 Y3216 | K3192-G3194 PolarHBondContact O-N 3.09Å; K3192-G3194 VanDerWaalsContact O-N 3.16Å; K3192-R3195 PolarHBondContact N-O 2.98Å; K3192-R3195 WeakPolarHBondContact O-CB 3.44Å; K3192-R3195 PolarHBondContact O-N 2.96Å; K3192-I3197 HydrophobicContact CB-CD1 3.92Å; K3192-I3197 HydrophobicContact CB-CG1 4.43Å; K3192-I3197 HydrophobicContact CB-CG2 3.89Å; K3192-N3211 WeakPolarHBondContact CE-O 3.34Å; K3192-N3211 PolarHBondContact NZ-O 3.24Å; K3192-N3211 VanDerWaalsContact NZ-O 3.14Å; K3192-V3213 VanDerWaalsContact CE-O 3.31Å; K3192-V3213 WeakPolarHBondContact CE-O 3.47Å; K3192-V3213 PolarHBondContact NZ-O 2.75Å; K3192-T3215 WeakPolarHBondContact CA-O 3.35Å; K3192-Y3216 HydrophobicContact CB-CD1 4.13Å; K3192-Y3216 HydrophobicContact CB-CE1 3.94Å; K3192-Y3216 HydrophobicContact CD-CE1 4Å; K3192-Y3216 HydrophobicContact CD-CE2 4.22Å; K3192-Y3216 WeakPolarHBondContact CD-OH 3.45Å; K3192-Y3216 HydrophobicContact CG-CD1 4.4Å; K3192-Y3216 HydrophobicContact CG-CE1 4.02Å; K3192-Y3216 HydrophobicContact CG-CE2 4.25Å |
| 3193 | D | 82.7 | Confident | 81.7 | Confident | 92 Ų | 92 | 69.6 Ų | 69.6 | 49% | 0.492 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 46.3 | 177.2 | -51.8 | -47.8 | 0 | 0 | 0 | 112.8 | R3195 G3214 T3215 | D3193-R3195 VanDerWaalsContact C-N 3.33Å; D3193-R3195 PolarHBondContact O-N 2.88Å; D3193-R3195 VanDerWaalsContact O-N 3.15Å; D3193-G3214 VanDerWaalsContact OD1-CA 3.22Å; D3193-G3214 WeakPolarHBondContact OD1-CA 3.34Å; D3193-G3214 WeakPolarHBondContact OD2-CA 3.4Å; D3193-T3215 PolarHBondContact N-O 2.89Å; D3193-T3215 PolarHBondContact OD1-N 2.82Å |
| 3194 | G | 77.9 | Confident | 80.9 | Confident | 58 Ų | 58 | 71 Ų | 71 | 60% | 0.598 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | -16.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | K2439 K3192 | K2439-G3194 VanDerWaalsContact NZ-C 3.33Å; K2439-G3194 PolarHBondContact NZ-O 3.3Å; K3192-G3194 PolarHBondContact O-N 3.09Å; K3192-G3194 VanDerWaalsContact O-N 3.16Å |
| 3195 | R | 79.2 | Confident | 80.1 | Confident | 199 Ų | 199 | 65.8 Ų | 65.8 | 75% | 0.751 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 128.7 | -176.5 | -170.6 | 176.4 | -179.2 | -179.5 | 1.1 | 112.1 | E3191 K3192 D3193 I3197 | E3191-R3195 CarbonylContact C-O 3.56Å; E3191-R3195 VanDerWaalsContact CA-O 3.22Å; E3191-R3195 WeakPolarHBondContact CA-O 3.14Å; K3192-R3195 PolarHBondContact N-O 2.98Å; K3192-R3195 WeakPolarHBondContact O-CB 3.44Å; K3192-R3195 PolarHBondContact O-N 2.96Å; D3193-R3195 VanDerWaalsContact C-N 3.33Å; D3193-R3195 PolarHBondContact O-N 2.88Å; D3193-R3195 VanDerWaalsContact O-N 3.15Å; R3195-I3197 PolarHBondContact O-N 2.83Å |
| 3196 | R | 85.5 | Confident | 79 | Confident | 127.5 Ų | 127.5 | 64.6 Ų | 64.6 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 132.6 | 177.1 | -162.5 | 166.3 | 179.8 | 143.1 | -11.4 | 111.4 | F3189 W3190 E3191 D3199 | F3189-R3196 VanDerWaalsContact CB-CZ 3.5Å; F3189-R3196 VanDerWaalsContact CB-NH2 3.35Å; F3189-R3196 HydrophobicContact CD2-CG 4.44Å; W3190-R3196 WeakPolarHBondContact O-CA 3.24Å; E3191-R3196 HydrophobicContact CG-CB 4.34Å; E3191-R3196 HydrophobicContact CG-CG 4.36Å; R3196-D3199 IonicContact CZ-OD1 2.76Å; R3196-D3199 VanDerWaalsContact CZ-OD1 3.25Å; R3196-D3199 IonicContact CZ-OD2 3.52Å; R3196-D3199 IonicContact NE-OD1 3.49Å; R3196-D3199 PolarHBondContact NE-OD1 3.21Å; R3196-D3199 IonicContact NE-OD2 3.62Å; R3196-D3199 IonicContact NH2-OD1 3.08Å; R3196-D3199 PolarHBondContact NH2-OD1 3.21Å; R3196-D3199 IonicContact NH2-OD2 2.8Å; R3196-D3199 PolarHBondContact NH2-OD2 2.95Å |
| 3197 | I | 84.7 | Confident | 77.9 | Confident | 64 Ų | 64 | 69.7 Ų | 69.7 | 33% | 0.328 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | -21.1 | -171.8 | 52.6 | 165.5 | 0 | 0 | 0 | 114.7 | W3190 K3192 R3195 F3203 Y3216 | W3190-I3197 VanDerWaalsContact C-CG1 3.49Å; W3190-I3197 HydrophobicContact CB-CD1 4.06Å; W3190-I3197 HydrophobicContact CB-CG1 3.81Å; W3190-I3197 VanDerWaalsContact O-CG1 3.25Å; W3190-I3197 WeakPolarHBondContact O-CG1 3.39Å; W3190-I3197 PolarHBondContact O-N 3.08Å; K3192-I3197 HydrophobicContact CB-CD1 3.92Å; K3192-I3197 HydrophobicContact CB-CG1 4.43Å; K3192-I3197 HydrophobicContact CB-CG2 3.89Å; R3195-I3197 PolarHBondContact O-N 2.83Å; I3197-F3203 HydrophobicContact CD1-CD1 4.35Å; I3197-F3203 HydrophobicContact CD1-CD2 4.46Å; I3197-F3203 HydrophobicContact CD1-CE1 3.79Å; I3197-F3203 HydrophobicContact CD1-CE2 3.91Å; I3197-F3203 HydrophobicContact CD1-CZ 3.56Å; I3197-Y3216 HydrophobicContact CD1-CD1 3.76Å; I3197-Y3216 HydrophobicContact CD1-CE1 3.64Å |
| 3198 | S | 84 | Confident | 76.8 | Confident | 33 Ų | 33 | 63.2 Ų | 63.2 | 23% | 0.231 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 141.9 | 177.5 | -171.3 | 0 | 0 | 0 | 0 | 112.2 | F3189 W3190 S3200 | F3189-S3198 CarbonylContact C-O 3.57Å; F3189-S3198 VanDerWaalsContact CA-O 3.3Å; F3189-S3198 WeakPolarHBondContact CA-O 3.34Å; F3189-S3198 WeakPolarHBondContact CB-O 3.33Å; W3190-S3198 PolarHBondContact N-O 3.14Å; W3190-S3198 PolarHBondContact O-N 2.71Å; S3198-S3200 VanDerWaalsContact OG-CB 3.31Å; S3198-S3200 WeakPolarHBondContact OG-CB 3.35Å; S3198-S3200 PolarHBondContact OG-N 2.94Å |
| 3199 | D | 81.9 | Confident | 75.6 | Confident | 108.5 Ų | 108.5 | 65.9 Ų | 65.9 | 58% | 0.58 | 33% | 0.331 | S | S | * | . | trans | -104.8 | 37.6 | 173 | -69.8 | -18.2 | 0 | 0 | 0 | 111.7 | T3188 F3189 R3196 | T3188-D3199 CarbonylContact O-C 3.52Å; F3189-D3199 VanDerWaalsContact CB-OD1 3.23Å; F3189-D3199 WeakPolarHBondContact CB-OD1 3.43Å; R3196-D3199 IonicContact CZ-OD1 2.76Å; R3196-D3199 VanDerWaalsContact CZ-OD1 3.25Å; R3196-D3199 IonicContact CZ-OD2 3.52Å; R3196-D3199 IonicContact NE-OD1 3.49Å; R3196-D3199 PolarHBondContact NE-OD1 3.21Å; R3196-D3199 IonicContact NE-OD2 3.62Å; R3196-D3199 IonicContact NH2-OD1 3.08Å; R3196-D3199 PolarHBondContact NH2-OD1 3.21Å; R3196-D3199 IonicContact NH2-OD2 2.8Å; R3196-D3199 PolarHBondContact NH2-OD2 2.95Å | ||
| 3200 | S | 77.7 | Confident | 74.4 | Confident | 42.5 Ų | 42.5 | 70.4 Ų | 70.4 | 30% | 0.297 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -108.5 | 148 | -176.3 | 179.2 | 0 | 0 | 0 | 0 | 112.2 | T3188 W3190 S3198 E3202 | T3188-S3200 PolarHBondContact OG1-O 3.08Å; W3190-S3200 VanDerWaalsContact CD1-O 3.31Å; W3190-S3200 PolarHBondContact NE1-O 3Å; W3190-S3200 VanDerWaalsContact NE1-O 3.15Å; S3198-S3200 VanDerWaalsContact OG-CB 3.31Å; S3198-S3200 WeakPolarHBondContact OG-CB 3.35Å; S3198-S3200 PolarHBondContact OG-N 2.94Å; S3200-E3202 WeakPolarHBondContact CB-O 3.34Å; S3200-E3202 PolarHBondContact O-N 2.64Å; S3200-E3202 PolarHBondContact OG-N 3.44Å; S3200-E3202 PolarHBondContact OG-O 2.89Å |
| 3201 | F | 74.1 | Confident | 73.2 | Confident | 111 Ų | 111 | 76.7 Ų | 76.7 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -64 | -23.3 | 165.4 | -69.2 | -81.5 | 0 | 0 | 0 | 112.6 | F3180 L3186 T3188 | F3180-F3201 HydrophobicContact CZ-CD1 4.08Å; L3186-F3201 HydrophobicContact CB-CE1 4.35Å; L3186-F3201 WeakPolarHBondContact O-CZ 3.3Å; T3188-F3201 HydrophobicContact CG2-CD1 3.49Å; T3188-F3201 VanDerWaalsContact CG2-CD1 3.49Å; T3188-F3201 HydrophobicContact CG2-CE1 3.68Å; T3188-F3201 HydrophobicContact CG2-CG 4.42Å; T3188-F3201 VanDerWaalsContact OG1-CA 3.29Å; T3188-F3201 WeakPolarHBondContact OG1-CA 3.45Å; T3188-F3201 WeakPolarHBondContact OG1-CD1 3.36Å; T3188-F3201 WeakPolarHBondContact OG1-CG 3.28Å; T3188-F3201 PolarHBondContact OG1-N 2.64Å |
| 3202 | E | 67.3 | Low | 72.6 | Confident | 87 Ų | 87 | 77 Ų | 77 | 41% | 0.407 | 39% | 0.386 | S | S | . | . | trans | -128 | 126.3 | -179 | -60.7 | -173.2 | 160.4 | 0 | 0 | 110.5 | S3107 S3200 | S3107-E3202 PolarHBondContact N-OE1 3.36Å; S3107-E3202 PolarHBondContact OG-OE1 3.08Å; S3200-E3202 WeakPolarHBondContact CB-O 3.34Å; S3200-E3202 PolarHBondContact O-N 2.64Å; S3200-E3202 PolarHBondContact OG-N 3.44Å; S3200-E3202 PolarHBondContact OG-O 2.89Å | ||
| 3203 | F | 71.3 | Confident | 72.1 | Confident | 45 Ų | 45 | 77.3 Ų | 77.3 | 20% | 0.197 | 39% | 0.39 | C | S | . | . | trans | -129.7 | 139.4 | 176.5 | 175.6 | -99.8 | 0 | 0 | 0 | 109.6 | W3190 I3197 V3205 Y3216 | W3190-F3203 HydrophobicContact CD2-CB 3.66Å; W3190-F3203 HydrophobicContact CD2-CD1 4.28Å; W3190-F3203 HydrophobicContact CD2-CG 4.2Å; W3190-F3203 HydrophobicContact CE3-CB 4.28Å; W3190-F3203 HydrophobicContact CE3-CD1 4.13Å; W3190-F3203 HydrophobicContact CG-CB 3.76Å; W3190-F3203 HydrophobicContact CG-CG 4.2Å; W3190-F3203 HydrophobicContact CZ2-CB 4.19Å; I3197-F3203 HydrophobicContact CD1-CD1 4.35Å; I3197-F3203 HydrophobicContact CD1-CD2 4.46Å; I3197-F3203 HydrophobicContact CD1-CE1 3.79Å; I3197-F3203 HydrophobicContact CD1-CE2 3.91Å; I3197-F3203 HydrophobicContact CD1-CZ 3.56Å; F3203-V3205 HydrophobicContact CD1-CG2 4.47Å; F3203-V3205 HydrophobicContact CE1-CG2 3.5Å; F3203-V3205 VanDerWaalsContact CE1-CG2 3.5Å; F3203-V3205 HydrophobicContact CZ-CG2 3.92Å; F3203-Y3216 AromaticContact CE1-CD1 3.93Å; F3203-Y3216 HydrophobicContact CE1-CD1 3.93Å; F3203-Y3216 AromaticContact CE1-CE1 3.51Å; F3203-Y3216 HydrophobicContact CE1-CE1 3.51Å; F3203-Y3216 HydrophobicContact CZ-CE1 4.02Å | ||
| 3204 | Q | 64.1 | Low | 72 | Confident | 62 Ų | 62 | 73.2 Ų | 73.2 | 29% | 0.29 | 37% | 0.37 | S | S | . | . | trans | -138.6 | 123.6 | -174 | -176.8 | 178.7 | -28 | 0 | 0 | 111 | V3103 K3104 T3206 | V3103-Q3204 PolarHBondContact O-NE2 3.06Å; K3104-Q3204 VanDerWaalsContact C-OE1 3.31Å; K3104-Q3204 VanDerWaalsContact N-OE1 3.1Å; Q3204-T3206 PolarHBondContact NE2-OG1 3Å | ||
| 3205 | V | 62.5 | Low | 72.3 | Confident | 20 Ų | 20 | 73.1 Ų | 73.1 | 12% | 0.121 | 36% | 0.358 | C | S | . | . | trans | -94.4 | 116.4 | 169.2 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | F3203 P3208 N3212 Y3216 | F3203-V3205 HydrophobicContact CD1-CG2 4.47Å; F3203-V3205 HydrophobicContact CE1-CG2 3.5Å; F3203-V3205 VanDerWaalsContact CE1-CG2 3.5Å; F3203-V3205 HydrophobicContact CZ-CG2 3.92Å; V3205-P3208 HydrophobicContact CG1-CB 3.84Å; V3205-N3212 HydrophobicContact CG1-CB 3.94Å; V3205-Y3216 HydrophobicContact CG2-CE1 4.18Å | ||
| 3206 | T | 60.2 | Low | 72.7 | Confident | 61 Ų | 61 | 63.8 Ų | 63.8 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -108.8 | 127.3 | 177.1 | -45.7 | 0 | 0 | 0 | 0 | 108.6 | K3173 Q3204 | K3173-T3206 HydrophobicContact CD-CG2 4.1Å; K3173-T3206 HydrophobicContact CG-CG2 4.12Å; Q3204-T3206 PolarHBondContact NE2-OG1 3Å |
| 3207 | F | 58.5 | Low | 72.9 | Confident | 123 Ų | 123 | 58 Ų | 58 | 54% | 0.539 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 54.9 | 65.1 | -173.1 | -49.9 | -68.5 | 0 | 0 | 0 | 113.1 | G3171 K3173 T3209 | G3171-F3207 WeakPolarHBondContact O-CD1 3.34Å; K3173-F3207 HydrophobicContact CG-CE1 4.28Å; F3207-T3209 PolarHBondContact O-N 3.12Å |
| 3208 | P | 61 | Low | 73.1 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.013 | 29% | 0.287 | C | S | . | . | trans | -55.9 | 129.3 | 178.5 | 21.8 | -30.8 | 0 | 0 | 0 | 111.8 | V3168 K3172 V3205 N3212 L3235 | V3168-P3208 HydrophobicContact CB-CG 4.33Å; V3168-P3208 HydrophobicContact CG1-CG 3.71Å; K3172-P3208 VanDerWaalsContact O-CD 3.31Å; K3172-P3208 WeakPolarHBondContact O-CD 3.4Å; V3205-P3208 HydrophobicContact CG1-CB 3.84Å; P3208-N3212 HydrophobicContact CB-CB 3.73Å; P3208-L3235 HydrophobicContact CB-CD1 4.32Å | ||
| 3209 | T | 60.6 | Low | 73.4 | Confident | 67 Ų | 67 | 53.6 Ų | 53.6 | 41% | 0.411 | 28% | 0.276 | S | S | . | . | trans | -102.3 | -179.1 | 172.7 | 64.4 | 0 | 0 | 0 | 0 | 110 | F3207 N3211 N3212 V3213 | F3207-T3209 PolarHBondContact O-N 3.12Å; T3209-N3211 PolarHBondContact O-N 3.46Å; T3209-N3211 PolarHBondContact OG1-N 2.9Å; T3209-N3212 PolarHBondContact N-OD1 2.9Å; T3209-N3212 WeakPolarHBondContact O-CA 3.5Å; T3209-N3212 WeakPolarHBondContact O-CB 3.49Å; T3209-N3212 PolarHBondContact O-N 2.9Å; T3209-N3212 PolarHBondContact OG1-OD1 3.29Å; T3209-V3213 PolarHBondContact O-N 2.78Å | ||
| 3210 | Y | 63.1 | Low | 73.7 | Confident | 102 Ų | 102 | 48.5 Ų | 48.5 | 40% | 0.4 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -55.1 | -32.8 | 168.8 | -77 | -81.2 | 0 | 0 | 0 | 113.2 | N3212 V3213 L3235 I3319 | Y3210-N3212 PolarHBondContact O-N 2.87Å; Y3210-N3212 VanDerWaalsContact O-N 3.11Å; Y3210-V3213 WeakPolarHBondContact O-CB 3.35Å; Y3210-V3213 PolarHBondContact O-N 2.81Å; Y3210-V3213 VanDerWaalsContact O-N 3.07Å; Y3210-L3235 HydrophobicContact CD2-CD2 4.23Å; Y3210-L3235 HydrophobicContact CE1-CD2 4.44Å; Y3210-L3235 HydrophobicContact CE2-CD2 4.04Å; Y3210-I3319 HydrophobicContact CE1-CD1 4.38Å |
| 3211 | N | 64.9 | Low | 74.2 | Confident | 139 Ų | 139 | 48.8 Ų | 48.8 | 74% | 0.743 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -66 | -13.4 | 174 | -64.4 | -19.1 | 0 | 0 | 0 | 113.3 | K3192 T3209 | K3192-N3211 WeakPolarHBondContact CE-O 3.34Å; K3192-N3211 PolarHBondContact NZ-O 3.24Å; K3192-N3211 VanDerWaalsContact NZ-O 3.14Å; T3209-N3211 PolarHBondContact O-N 3.46Å; T3209-N3211 PolarHBondContact OG1-N 2.9Å |
| 3212 | N | 75.9 | Confident | 74.7 | Confident | 38 Ų | 38 | 44.5 Ų | 44.5 | 20% | 0.203 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -100.1 | -4.2 | 176.5 | -56.6 | 104.6 | 0 | 0 | 0 | 113.5 | V3205 P3208 T3209 Y3210 Y3216 | V3205-N3212 HydrophobicContact CG1-CB 3.94Å; P3208-N3212 HydrophobicContact CB-CB 3.73Å; T3209-N3212 PolarHBondContact N-OD1 2.9Å; T3209-N3212 WeakPolarHBondContact O-CA 3.5Å; T3209-N3212 WeakPolarHBondContact O-CB 3.49Å; T3209-N3212 PolarHBondContact O-N 2.9Å; T3209-N3212 PolarHBondContact OG1-OD1 3.29Å; Y3210-N3212 PolarHBondContact O-N 2.87Å; Y3210-N3212 VanDerWaalsContact O-N 3.11Å; N3212-Y3216 WeakPolarHBondContact O-CE2 3.5Å; N3212-Y3216 PolarHBondContact O-OH 3.09Å |
| 3213 | V | 77.1 | Confident | 75.4 | Confident | 41 Ų | 41 | 44.4 Ų | 44.4 | 25% | 0.248 | 24% | 0.237 | C | C | . | . | trans | -70.7 | 134.5 | 169.1 | 175.3 | 0 | 0 | 0 | 0 | 109.1 | K3192 T3209 Y3210 V3233 L3235 | K3192-V3213 VanDerWaalsContact CE-O 3.31Å; K3192-V3213 WeakPolarHBondContact CE-O 3.47Å; K3192-V3213 PolarHBondContact NZ-O 2.75Å; T3209-V3213 PolarHBondContact O-N 2.78Å; Y3210-V3213 WeakPolarHBondContact O-CB 3.35Å; Y3210-V3213 PolarHBondContact O-N 2.81Å; Y3210-V3213 VanDerWaalsContact O-N 3.07Å; V3213-V3233 CarbonylContact C-O 3.01Å; V3213-V3233 WeakPolarHBondContact CA-O 3.45Å; V3213-L3235 HydrophobicContact CG2-CB 3.71Å; V3213-L3235 HydrophobicContact CG2-CD1 4.4Å | ||
| 3214 | G | 79.7 | Confident | 75.7 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 7% | 0.072 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 150.9 | 179.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D3193 V3233 | D3193-G3214 VanDerWaalsContact OD1-CA 3.22Å; D3193-G3214 WeakPolarHBondContact OD1-CA 3.34Å; D3193-G3214 WeakPolarHBondContact OD2-CA 3.4Å; G3214-V3233 PolarHBondContact N-O 2.69Å; G3214-V3233 PolarHBondContact O-N 2.71Å |
| 3215 | T | 85.5 | Confident | 76.6 | Confident | 55 Ų | 55 | 42.9 Ų | 42.9 | 34% | 0.337 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 115.4 | 176.2 | -62.1 | 0 | 0 | 0 | 0 | 110.2 | K3192 D3193 | K3192-T3215 WeakPolarHBondContact CA-O 3.35Å; D3193-T3215 PolarHBondContact N-O 2.89Å; D3193-T3215 PolarHBondContact OD1-N 2.82Å |
| 3216 | Y | 87.7 | Confident | 77.9 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 123 | 173 | -74.7 | -92.5 | 0 | 0 | 0 | 110.1 | L3163 L3176 E3191 K3192 I3197 F3203 V3205 N3212 S3230 A3231 V3233 | L3163-Y3216 WeakPolarHBondContact CD1-O 3.28Å; L3176-Y3216 HydrophobicContact CD1-CD1 4.29Å; L3176-Y3216 HydrophobicContact CD1-CD2 4.06Å; L3176-Y3216 HydrophobicContact CD1-CG 3.81Å; E3191-Y3216 CarbonylContact O-C 3.55Å; E3191-Y3216 WeakPolarHBondContact O-CA 3.47Å; K3192-Y3216 HydrophobicContact CB-CD1 4.13Å; K3192-Y3216 HydrophobicContact CB-CE1 3.94Å; K3192-Y3216 HydrophobicContact CD-CE1 4Å; K3192-Y3216 HydrophobicContact CD-CE2 4.22Å; K3192-Y3216 WeakPolarHBondContact CD-OH 3.45Å; K3192-Y3216 HydrophobicContact CG-CD1 4.4Å; K3192-Y3216 HydrophobicContact CG-CE1 4.02Å; K3192-Y3216 HydrophobicContact CG-CE2 4.25Å; I3197-Y3216 HydrophobicContact CD1-CD1 3.76Å; I3197-Y3216 HydrophobicContact CD1-CE1 3.64Å; F3203-Y3216 AromaticContact CE1-CD1 3.93Å; F3203-Y3216 HydrophobicContact CE1-CD1 3.93Å; F3203-Y3216 AromaticContact CE1-CE1 3.51Å; F3203-Y3216 HydrophobicContact CE1-CE1 3.51Å; F3203-Y3216 HydrophobicContact CZ-CE1 4.02Å; V3205-Y3216 HydrophobicContact CG2-CE1 4.18Å; N3212-Y3216 WeakPolarHBondContact O-CE2 3.5Å; N3212-Y3216 PolarHBondContact O-OH 3.09Å; Y3216-S3230 CarbonylContact O-C 3.49Å; Y3216-S3230 VanDerWaalsContact O-CA 3.28Å; Y3216-S3230 WeakPolarHBondContact O-CA 3.18Å; Y3216-A3231 PolarHBondContact N-O 3.42Å; Y3216-A3231 PolarHBondContact O-N 2.75Å; Y3216-V3233 HydrophobicContact CD2-CB 4.06Å; Y3216-V3233 HydrophobicContact CD2-CG2 3.6Å; Y3216-V3233 HydrophobicContact CE2-CB 3.99Å; Y3216-V3233 HydrophobicContact CE2-CG2 3.85Å |
| 3217 | T | 89.1 | Confident | 79.2 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 4% | 0.043 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 132.4 | 173.4 | -61.8 | 0 | 0 | 0 | 0 | 109.7 | K2439 W3190 E3191 Q3228 S3229 S3230 | K2439-T3217 HydrophobicContact CB-CG2 4.13Å; K2439-T3217 HydrophobicContact CD-CG2 4.5Å; W3190-T3217 CarbonylContact C-O 3.53Å; W3190-T3217 WeakPolarHBondContact CA-O 3.45Å; E3191-T3217 PolarHBondContact N-O 3.34Å; E3191-T3217 PolarHBondContact O-N 2.92Å; T3217-Q3228 HydrophobicContact CG2-CB 4.15Å; T3217-S3229 CarbonylContact C-O 3.56Å; T3217-S3229 VanDerWaalsContact CA-O 3.31Å; T3217-S3229 WeakPolarHBondContact CA-O 3.5Å; T3217-S3230 PolarHBondContact OG1-OG 3.27Å |
| 3218 | V | 89.4 | Confident | 80.8 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 131.5 | 164.5 | 65.1 | 0 | 0 | 0 | 0 | 109.6 | L3163 C3178 F3189 W3190 Q3228 S3229 | L3163-V3218 HydrophobicContact CD1-CG1 3.96Å; L3163-V3218 HydrophobicContact CG-CG1 4.17Å; C3178-V3218 HydrophobicContact CB-CG1 3.79Å; F3189-V3218 WeakPolarHBondContact O-CA 3.35Å; W3190-V3218 HydrophobicContact CD2-CB 3.85Å; W3190-V3218 HydrophobicContact CD2-CG2 3.89Å; W3190-V3218 HydrophobicContact CE3-CB 3.87Å; W3190-V3218 HydrophobicContact CE3-CG2 4.41Å; W3190-V3218 HydrophobicContact CG-CG2 4.3Å; W3190-V3218 HydrophobicContact CH2-CB 4.1Å; W3190-V3218 HydrophobicContact CH2-CG1 4.45Å; W3190-V3218 HydrophobicContact CH2-CG2 4.42Å; W3190-V3218 HydrophobicContact CZ2-CB 4.06Å; W3190-V3218 HydrophobicContact CZ2-CG2 3.87Å; W3190-V3218 HydrophobicContact CZ3-CB 4Å; V3218-Q3228 CarbonylContact O-C 3.31Å; V3218-Q3228 VanDerWaalsContact O-CA 3.27Å; V3218-Q3228 WeakPolarHBondContact O-CA 3.41Å; V3218-S3229 PolarHBondContact N-O 3.48Å; V3218-S3229 PolarHBondContact O-N 3.39Å |
| 3219 | T | 89.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 139.6 | 177.6 | -62.2 | 0 | 0 | 0 | 0 | 110.2 | T3188 F3189 K3226 Q3228 | T3188-T3219 VanDerWaalsContact CA-O 3.25Å; T3188-T3219 WeakPolarHBondContact CA-O 3.34Å; F3189-T3219 HydrophobicContact CD1-CG2 4.14Å; F3189-T3219 HydrophobicContact CE1-CG2 3.42Å; F3189-T3219 VanDerWaalsContact CE1-CG2 3.42Å; F3189-T3219 HydrophobicContact CE2-CG2 4.05Å; F3189-T3219 WeakPolarHBondContact CE2-OG1 3.32Å; F3189-T3219 VanDerWaalsContact CZ-CB 3.48Å; F3189-T3219 HydrophobicContact CZ-CG2 3.37Å; F3189-T3219 PolarHBondContact N-O 2.86Å; F3189-T3219 PolarHBondContact O-N 2.78Å; T3219-K3226 HydrophobicContact CG2-CD 4.37Å; T3219-K3226 VanDerWaalsContact CG2-CE 3.43Å; T3219-K3226 HydrophobicContact CG2-CG 4.1Å; T3219-Q3228 HydrophobicContact CG2-CG 3.89Å; T3219-Q3228 WeakPolarHBondContact OG1-CG 3.49Å; T3219-Q3228 PolarHBondContact OG1-OE1 2.86Å |
| 3220 | V | 88.3 | Confident | 83.5 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 129.5 | 177.5 | -165.8 | 0 | 0 | 0 | 0 | 109 | P3157 F3180 L3186 K3187 T3188 K3226 V3227 | P3157-V3220 HydrophobicContact CB-CB 4.22Å; P3157-V3220 HydrophobicContact CB-CG1 3.87Å; P3157-V3220 WeakPolarHBondContact CG-O 3.5Å; F3180-V3220 HydrophobicContact CB-CG2 4.36Å; F3180-V3220 HydrophobicContact CD1-CG2 3.75Å; F3180-V3220 HydrophobicContact CD2-CG1 3.78Å; F3180-V3220 HydrophobicContact CD2-CG2 4.29Å; F3180-V3220 HydrophobicContact CE1-CG2 4.12Å; F3180-V3220 HydrophobicContact CE2-CG1 4.05Å; F3180-V3220 HydrophobicContact CG-CG1 4.15Å; F3180-V3220 HydrophobicContact CG-CG2 3.86Å; L3186-V3220 HydrophobicContact CD2-CG1 3.91Å; K3187-V3220 WeakPolarHBondContact O-CA 3.24Å; T3188-V3220 HydrophobicContact CG2-CB 4.41Å; T3188-V3220 HydrophobicContact CG2-CG1 4.06Å; T3188-V3220 HydrophobicContact CG2-CG2 4.13Å; V3220-K3226 CarbonylContact O-C 3.58Å; V3220-K3226 WeakPolarHBondContact O-CA 3.3Å; V3220-V3227 HydrophobicContact CB-CG2 4.04Å; V3220-V3227 HydrophobicContact CG2-CG2 4.48Å; V3220-V3227 PolarHBondContact N-O 2.86Å; V3220-V3227 PolarHBondContact O-N 2.99Å |
| 3221 | E | 88.4 | Confident | 84.6 | Confident | 49 Ų | 49 | 35 Ų | 35 | 23% | 0.229 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 148 | -178 | 62.2 | -175.4 | -146.1 | 0 | 0 | 113.1 | L3186 K3187 G3225 K3226 | L3186-E3221 CarbonylContact C-O 3.57Å; L3186-E3221 WeakPolarHBondContact CA-O 3.28Å; K3187-E3221 HydrophobicContact CB-CG 3.87Å; K3187-E3221 PolarHBondContact N-O 3.38Å; K3187-E3221 PolarHBondContact O-N 2.56Å; E3221-G3225 WeakPolarHBondContact CA-O 3.48Å; E3221-K3226 HydrophobicContact CB-CB 4.15Å; E3221-K3226 HydrophobicContact CB-CD 4.23Å; E3221-K3226 HydrophobicContact CB-CG 4.01Å; E3221-K3226 VanDerWaalsContact OE2-CE 3.25Å; E3221-K3226 WeakPolarHBondContact OE2-CE 3.46Å; E3221-K3226 IonicContact OE2-NZ 3.7Å; E3221-K3226 PolarHBondContact OE2-NZ 2.73Å |
| 3222 | N | 84.9 | Confident | 85.3 | Confident | 22 Ų | 22 | 33 Ų | 33 | 12% | 0.118 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | -175.3 | 167 | 73.3 | 10.1 | 0 | 0 | 0 | 110.5 | Q3155 P3157 S3183 P3185 L3186 A3224 G3225 | Q3155-N3222 PolarHBondContact O-ND2 2.9Å; P3157-N3222 WeakPolarHBondContact CD-OD1 3.5Å; S3183-N3222 PolarHBondContact N-ND2 2.84Å; S3183-N3222 PolarHBondContact O-ND2 2.75Å; P3185-N3222 VanDerWaalsContact O-CB 3.29Å; P3185-N3222 WeakPolarHBondContact O-CB 3.29Å; L3186-N3222 HydrophobicContact CD2-CB 4.08Å; N3222-A3224 PolarHBondContact O-N 2.66Å; N3222-A3224 WeakPolarHBondContact OD1-CA 3.41Å; N3222-A3224 WeakPolarHBondContact OD1-CB 3.37Å; N3222-A3224 PolarHBondContact OD1-N 2.81Å; N3222-G3225 PolarHBondContact N-O 2.85Å; N3222-G3225 PolarHBondContact O-N 2.75Å; N3222-G3225 PolarHBondContact OD1-N 2.85Å; N3222-G3225 VanDerWaalsContact OD1-N 3.13Å |
| 3223 | S | 81.8 | Confident | 85.5 | Confident | 85 Ų | 85 | 31.4 Ų | 31.4 | 59% | 0.594 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 12 | -179.9 | 80.1 | 0 | 0 | 0 | 0 | 115.5 | R3154 | R3154-S3223 VanDerWaalsContact CD-OG 3.29Å; R3154-S3223 WeakPolarHBondContact CD-OG 3.38Å; R3154-S3223 PolarHBondContact NH1-OG 2.85Å |
| 3224 | A | 78 | Confident | 85.2 | Confident | 47 Ų | 47 | 31.4 Ų | 31.4 | 39% | 0.388 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.3 | -8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R3154 N3222 | R3154-A3224 HydrophobicContact CB-CB 3.9Å; R3154-A3224 WeakPolarHBondContact O-CB 3.49Å; N3222-A3224 PolarHBondContact O-N 2.66Å; N3222-A3224 WeakPolarHBondContact OD1-CA 3.41Å; N3222-A3224 WeakPolarHBondContact OD1-CB 3.37Å; N3222-A3224 PolarHBondContact OD1-N 2.81Å |
| 3225 | G | 82.2 | Confident | 84.7 | Confident | 28 Ų | 28 | 31.7 Ų | 31.7 | 29% | 0.289 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.1 | -177.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P3157 E3221 N3222 | P3157-G3225 VanDerWaalsContact CD-C 3.47Å; P3157-G3225 VanDerWaalsContact CD-O 3.23Å; P3157-G3225 WeakPolarHBondContact CD-O 3.45Å; P3157-G3225 WeakPolarHBondContact CG-O 3.42Å; E3221-G3225 WeakPolarHBondContact CA-O 3.48Å; N3222-G3225 PolarHBondContact N-O 2.85Å; N3222-G3225 PolarHBondContact O-N 2.75Å; N3222-G3225 PolarHBondContact OD1-N 2.85Å; N3222-G3225 VanDerWaalsContact OD1-N 3.13Å |
| 3226 | K | 89.2 | Confident | 83.3 | Confident | 99 Ų | 99 | 30.8 Ų | 30.8 | 43% | 0.43 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 139.1 | -173.4 | -178.2 | 164.7 | -172.8 | 153.7 | 0 | 109.8 | T3219 V3220 E3221 | T3219-K3226 HydrophobicContact CG2-CD 4.37Å; T3219-K3226 VanDerWaalsContact CG2-CE 3.43Å; T3219-K3226 HydrophobicContact CG2-CG 4.1Å; V3220-K3226 CarbonylContact O-C 3.58Å; V3220-K3226 WeakPolarHBondContact O-CA 3.3Å; E3221-K3226 HydrophobicContact CB-CB 4.15Å; E3221-K3226 HydrophobicContact CB-CD 4.23Å; E3221-K3226 HydrophobicContact CB-CG 4.01Å; E3221-K3226 VanDerWaalsContact OE2-CE 3.25Å; E3221-K3226 WeakPolarHBondContact OE2-CE 3.46Å; E3221-K3226 IonicContact OE2-NZ 3.7Å; E3221-K3226 PolarHBondContact OE2-NZ 2.73Å |
| 3227 | V | 89.1 | Confident | 81.4 | Confident | 36 Ų | 36 | 31.5 Ų | 31.5 | 22% | 0.218 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 155.9 | 176.6 | -65.3 | 0 | 0 | 0 | 0 | 110.5 | P3157 I3159 V3220 | P3157-V3227 HydrophobicContact CB-CG2 3.81Å; P3157-V3227 HydrophobicContact CG-CG1 4.45Å; P3157-V3227 HydrophobicContact CG-CG2 3.93Å; P3157-V3227 WeakPolarHBondContact O-CG1 3.04Å; I3159-V3227 HydrophobicContact CD1-CB 3.94Å; I3159-V3227 HydrophobicContact CD1-CG2 3.98Å; I3159-V3227 HydrophobicContact CG1-CB 4.34Å; I3159-V3227 HydrophobicContact CG1-CG2 3.88Å; V3220-V3227 HydrophobicContact CB-CG2 4.04Å; V3220-V3227 HydrophobicContact CG2-CG2 4.48Å; V3220-V3227 PolarHBondContact N-O 2.86Å; V3220-V3227 PolarHBondContact O-N 2.99Å |
| 3228 | Q | 91.1 | Very high | 79.3 | Confident | 22 Ų | 22 | 37.2 Ų | 37.2 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 148.6 | 179.2 | -51.6 | -175 | 30.4 | 0 | 0 | 111 | K2439 A2440 I3159 T3217 V3218 T3219 | K2439-Q3228 PolarHBondContact O-NE2 3.4Å; K2439-Q3228 PolarHBondContact O-OE1 2.97Å; A2440-Q3228 VanDerWaalsContact CA-NE2 3.33Å; A2440-Q3228 HydrophobicContact CB-CB 3.93Å; A2440-Q3228 HydrophobicContact CB-CG 3.84Å; I3159-Q3228 VanDerWaalsContact CD1-C 3.45Å; I3159-Q3228 WeakPolarHBondContact CD1-O 3.26Å; T3217-Q3228 HydrophobicContact CG2-CB 4.15Å; V3218-Q3228 CarbonylContact O-C 3.31Å; V3218-Q3228 VanDerWaalsContact O-CA 3.27Å; V3218-Q3228 WeakPolarHBondContact O-CA 3.41Å; T3219-Q3228 HydrophobicContact CG2-CG 3.89Å; T3219-Q3228 WeakPolarHBondContact OG1-CG 3.49Å; T3219-Q3228 PolarHBondContact OG1-OE1 2.86Å |
| 3229 | S | 89.7 | Confident | 76.8 | Confident | 9 Ų | 9 | 41.2 Ų | 41.2 | 6% | 0.063 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 138.8 | 170.9 | -166.4 | 0 | 0 | 0 | 0 | 109 | P3162 L3163 T3217 V3218 | P3162-S3229 VanDerWaalsContact CA-OG 3.3Å; P3162-S3229 WeakPolarHBondContact CA-OG 3.36Å; P3162-S3229 VanDerWaalsContact CB-OG 3.32Å; P3162-S3229 WeakPolarHBondContact CB-OG 3.45Å; L3163-S3229 WeakPolarHBondContact CD1-O 3.37Å; L3163-S3229 PolarHBondContact N-OG 2.75Å; T3217-S3229 CarbonylContact C-O 3.56Å; T3217-S3229 VanDerWaalsContact CA-O 3.31Å; T3217-S3229 WeakPolarHBondContact CA-O 3.5Å; V3218-S3229 PolarHBondContact N-O 3.48Å; V3218-S3229 PolarHBondContact O-N 3.39Å |
| 3230 | S | 89.6 | Confident | 74.7 | Confident | 37 Ų | 37 | 41.3 Ų | 41.3 | 26% | 0.259 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 142.5 | -176.8 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | Y3216 T3217 | Y3216-S3230 CarbonylContact O-C 3.49Å; Y3216-S3230 VanDerWaalsContact O-CA 3.28Å; Y3216-S3230 WeakPolarHBondContact O-CA 3.18Å; T3217-S3230 PolarHBondContact OG1-OG 3.27Å |
| 3231 | A | 84.4 | Confident | 72.9 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 147.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | L3163 Q3164 Y3216 | L3163-A3231 HydrophobicContact CB-CB 3.5Å; L3163-A3231 HydrophobicContact CD1-CB 4.44Å; Q3164-A3231 VanDerWaalsContact C-CB 3.46Å; Q3164-A3231 VanDerWaalsContact O-CB 3.31Å; Q3164-A3231 WeakPolarHBondContact O-CB 3.48Å; Y3216-A3231 PolarHBondContact N-O 3.42Å; Y3216-A3231 PolarHBondContact O-N 2.75Å |
| 3232 | K | 80.4 | Confident | 71.8 | Confident | 98 Ų | 98 | 43.1 Ų | 43.1 | 43% | 0.426 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 133.4 | 176 | -162 | -178.6 | -178.6 | -138.1 | 0 | 110.9 | P3165 V3166 D3234 | P3165-K3232 WeakPolarHBondContact CA-O 3.23Å; V3166-K3232 PolarHBondContact N-O 2.93Å; K3232-D3234 WeakPolarHBondContact CD-OD2 3.24Å; K3232-D3234 WeakPolarHBondContact CE-OD1 3.27Å; K3232-D3234 WeakPolarHBondContact CE-OD2 3.36Å; K3232-D3234 IonicContact NZ-OD1 3.31Å; K3232-D3234 PolarHBondContact NZ-OD1 3.43Å; K3232-D3234 IonicContact NZ-OD2 2.69Å; K3232-D3234 PolarHBondContact NZ-OD2 2.81Å |
| 3233 | V | 80.1 | Confident | 70.8 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 117.1 | 167 | 175.8 | 0 | 0 | 0 | 0 | 107.4 | V3166 V3168 L3176 V3213 G3214 Y3216 | V3166-V3233 WeakPolarHBondContact O-CA 3.36Å; V3168-V3233 HydrophobicContact CG2-CG1 3.8Å; L3176-V3233 HydrophobicContact CD1-CG2 4.03Å; L3176-V3233 HydrophobicContact CD2-CG2 4.01Å; L3176-V3233 HydrophobicContact CG-CG2 4.45Å; V3213-V3233 CarbonylContact C-O 3.01Å; V3213-V3233 WeakPolarHBondContact CA-O 3.45Å; G3214-V3233 PolarHBondContact N-O 2.69Å; G3214-V3233 PolarHBondContact O-N 2.71Å; Y3216-V3233 HydrophobicContact CD2-CB 4.06Å; Y3216-V3233 HydrophobicContact CD2-CG2 3.6Å; Y3216-V3233 HydrophobicContact CE2-CB 3.99Å; Y3216-V3233 HydrophobicContact CE2-CG2 3.85Å |
| 3234 | D | 71.6 | Confident | 70.2 | Confident | 40 Ų | 40 | 39.9 Ų | 39.9 | 21% | 0.214 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 141 | 177.3 | -83.7 | -38.9 | 0 | 0 | 0 | 110.5 | V3166 Q3167 V3168 K3232 | V3166-D3234 PolarHBondContact O-N 3.31Å; Q3167-D3234 CarbonylContact C-O 3.47Å; Q3167-D3234 WeakPolarHBondContact CA-O 3.28Å; Q3167-D3234 HydrophobicContact CG-CB 4.25Å; V3168-D3234 PolarHBondContact N-O 2.75Å; K3232-D3234 WeakPolarHBondContact CD-OD2 3.24Å; K3232-D3234 WeakPolarHBondContact CE-OD1 3.27Å; K3232-D3234 WeakPolarHBondContact CE-OD2 3.36Å; K3232-D3234 IonicContact NZ-OD1 3.31Å; K3232-D3234 PolarHBondContact NZ-OD1 3.43Å; K3232-D3234 IonicContact NZ-OD2 2.69Å; K3232-D3234 PolarHBondContact NZ-OD2 2.81Å |
| 3235 | L | 67.6 | Low | 70.5 | Confident | 13 Ų | 13 | 38 Ų | 38 | 7% | 0.068 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 138.7 | 169.8 | -131.3 | 75.3 | 0 | 0 | 0 | 109.9 | V3168 P3208 Y3210 V3213 | V3168-L3235 HydrophobicContact CB-CD1 4.38Å; V3168-L3235 CarbonylContact O-C 3.56Å; V3168-L3235 WeakPolarHBondContact O-CA 3.24Å; P3208-L3235 HydrophobicContact CB-CD1 4.32Å; Y3210-L3235 HydrophobicContact CD2-CD2 4.23Å; Y3210-L3235 HydrophobicContact CE1-CD2 4.44Å; Y3210-L3235 HydrophobicContact CE2-CD2 4.04Å; V3213-L3235 HydrophobicContact CG2-CB 3.71Å; V3213-L3235 HydrophobicContact CG2-CD1 4.4Å |
| 3236 | V | 56.5 | Low | 70.6 | Confident | 37 Ų | 37 | 39.5 Ų | 39.5 | 22% | 0.224 | 22% | 0.216 | C | C | . | . | trans | -135.4 | 125.9 | 177.5 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | K2955 Q3167 V3168 E3169 | K2955-V3236 HydrophobicContact CB-CG1 4.42Å; Q3167-V3236 HydrophobicContact CB-CG2 3.82Å; Q3167-V3236 HydrophobicContact CG-CG2 3.9Å; V3168-V3236 PolarHBondContact O-N 2.94Å; E3169-V3236 VanDerWaalsContact CA-O 3.29Å; E3169-V3236 WeakPolarHBondContact CA-O 2.97Å | ||
| 3237 | E | 48.3 | Very low | 70.5 | Confident | 18 Ų | 18 | 37 Ų | 37 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | trans | -115.1 | -157.3 | 172.9 | -44.3 | 179.3 | 154.5 | 0 | 0 | 110.4 | K2955 R2956 E2957 F3243 | K2955-E3237 CarbonylContact C-O 3.55Å; K2955-E3237 WeakPolarHBondContact CB-O 3.44Å; K2955-E3237 WeakPolarHBondContact O-CA 3.41Å; K2955-E3237 WeakPolarHBondContact O-CB 3.09Å; K2955-E3237 PolarHBondContact O-N 3.17Å; R2956-E3237 VanDerWaalsContact CA-CB 3.47Å; E2957-E3237 HydrophobicContact CB-CB 4.47Å; E2957-E3237 HydrophobicContact CG-CB 4.25Å; E2957-E3237 PolarHBondContact N-OE2 2.85Å; E3237-F3243 WeakPolarHBondContact OE2-CZ 3.44Å | ||
| 3238 | K | 45.2 | Very low | 70.2 | Confident | 128 Ų | 128 | 39.9 Ų | 39.9 | 56% | 0.557 | 22% | 0.219 | S | C | * | . | trans | -106.5 | -114.6 | -172.4 | -86.1 | 173.4 | 169.6 | -178.6 | 0 | 116.3 | K2955 R2956 E2957 D2958 | K2955-K3238 CarbonylContact C-O 3.55Å; K2955-K3238 WeakPolarHBondContact CA-O 3.47Å; K2955-K3238 WeakPolarHBondContact CB-O 3.15Å; R2956-K3238 VanDerWaalsContact C-C 3.47Å; R2956-K3238 VanDerWaalsContact N-C 3.28Å; R2956-K3238 PolarHBondContact N-O 2.79Å; R2956-K3238 CarbonylContact O-C 3.56Å; E2957-K3238 VanDerWaalsContact N-N 3.14Å; E2957-K3238 CarbonylContact O-C 3.49Å; E2957-K3238 WeakPolarHBondContact O-CA 3.11Å; E2957-K3238 WeakPolarHBondContact O-CB 3.37Å; D2958-K3238 HydrophobicContact CB-CD 4.3Å | ||
| 3239 | A | 37.2 | Very low | 70 | Confident | 87 Ų | 87 | 42.6 Ų | 42.6 | 72% | 0.719 | 23% | 0.232 | S | C | * | . | B | Isolated β-bridge | trans | -145.5 | 90.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | R2956 E2957 | R2956-A3239 CarbonylContact O-C 3.58Å; R2956-A3239 WeakPolarHBondContact O-CA 3.13Å; R2956-A3239 PolarHBondContact O-N 3.35Å; E2957-A3239 CarbonylContact O-C 3.5Å; E2957-A3239 WeakPolarHBondContact O-CA 3.41Å; E2957-A3239 PolarHBondContact O-N 3.44Å |
| 3240 | K | 45.7 | Very low | 69.6 | Low | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.009 | 24% | 0.239 | C | C | . | . | trans | -118 | 119.8 | -171.9 | -160 | -176.6 | -51.4 | -119.2 | 0 | 111 | R2956 E2957 D2958 E2959 L2962 D3242 F3243 | R2956-K3240 HydrophobicContact CG-CB 4.34Å; R2956-K3240 PolarHBondContact NE-O 3.2Å; R2956-K3240 PolarHBondContact NH2-O 2.8Å; R2956-K3240 VanDerWaalsContact O-CB 3.26Å; R2956-K3240 WeakPolarHBondContact O-CB 3.25Å; R2956-K3240 PolarHBondContact O-N 2.82Å; E2957-K3240 HydrophobicContact CB-CD 4.41Å; E2957-K3240 PolarHBondContact O-N 2.87Å; E2957-K3240 VanDerWaalsContact OE2-CE 3.31Å; E2957-K3240 WeakPolarHBondContact OE2-CE 3.39Å; E2957-K3240 IonicContact OE2-NZ 2.84Å; E2957-K3240 PolarHBondContact OE2-NZ 3.03Å; D2958-K3240 VanDerWaalsContact N-CE 3.27Å; D2958-K3240 WeakPolarHBondContact O-CE 3.23Å; D2958-K3240 PolarHBondContact O-NZ 2.85Å; E2959-K3240 HydrophobicContact CB-CD 4.48Å; E2959-K3240 HydrophobicContact CB-CG 3.74Å; E2959-K3240 HydrophobicContact CG-CG 3.95Å; L2962-K3240 HydrophobicContact CB-CD 3.89Å; L2962-K3240 HydrophobicContact CD1-CD 3.69Å; L2962-K3240 HydrophobicContact CG-CD 4.18Å; K3240-D3242 VanDerWaalsContact C-N 3.26Å; K3240-D3242 HydrophobicContact CD-CB 4.33Å; K3240-D3242 HydrophobicContact CG-CB 4.45Å; K3240-D3242 PolarHBondContact O-N 3.16Å; K3240-F3243 HydrophobicContact CB-CD2 3.95Å; K3240-F3243 HydrophobicContact CB-CE2 4.05Å; K3240-F3243 HydrophobicContact CD-CD2 4.07Å; K3240-F3243 HydrophobicContact CD-CE2 3.72Å; K3240-F3243 HydrophobicContact CG-CD2 4.37Å; K3240-F3243 HydrophobicContact CG-CE2 4.36Å | ||
| 3241 | S | 50.2 | Low | 69.5 | Low | 54 Ų | 54 | 42 Ų | 42 | 38% | 0.378 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -67.2 | -25.9 | -171.6 | 86.2 | 0 | 0 | 0 | 0 | 113.4 | R2956 E2959 F3243 K3246 | R2956-S3241 PolarHBondContact NH2-O 2.93Å; E2959-S3241 WeakPolarHBondContact OE1-CA 3.45Å; E2959-S3241 PolarHBondContact OE1-N 3.33Å; E2959-S3241 PolarHBondContact OE1-OG 3.19Å; E2959-S3241 VanDerWaalsContact OE2-CB 3.29Å; E2959-S3241 WeakPolarHBondContact OE2-CB 3.16Å; E2959-S3241 PolarHBondContact OE2-N 3.45Å; E2959-S3241 PolarHBondContact OE2-OG 2.98Å; S3241-F3243 PolarHBondContact O-N 2.85Å; S3241-K3246 VanDerWaalsContact O-CE 3.23Å; S3241-K3246 WeakPolarHBondContact O-CE 3.48Å; S3241-K3246 VanDerWaalsContact OG-CE 3.24Å; S3241-K3246 WeakPolarHBondContact OG-CE 3.42Å; S3241-K3246 PolarHBondContact OG-NZ 3.01Å |
| 3242 | D | 65.3 | Low | 69.4 | Low | 33 Ų | 33 | 47.1 Ų | 47.1 | 18% | 0.176 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -59.5 | -25.2 | -178.2 | -85.6 | -21.4 | 0 | 0 | 0 | 119.5 | E2959 K3240 K3246 | E2959-D3242 PolarHBondContact OE1-N 3.29Å; K3240-D3242 VanDerWaalsContact C-N 3.26Å; K3240-D3242 HydrophobicContact CD-CB 4.33Å; K3240-D3242 HydrophobicContact CG-CB 4.45Å; K3240-D3242 PolarHBondContact O-N 3.16Å; D3242-K3246 IonicContact OD1-NZ 2.62Å; D3242-K3246 PolarHBondContact OD1-NZ 3.11Å |
| 3243 | F | 63.9 | Low | 69.6 | Low | 18 Ų | 18 | 46 Ų | 46 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -79 | -35.7 | -173.2 | -74.2 | -107.4 | 0 | 0 | 0 | 114.2 | R2956 E2957 L2962 E3237 K3240 S3241 G3269 K3270 N3318 H3320 | R2956-F3243 HydrophobicContact CG-CB 3.73Å; R2956-F3243 HydrophobicContact CG-CD2 3.59Å; R2956-F3243 HydrophobicContact CG-CE2 4.27Å; R2956-F3243 HydrophobicContact CG-CG 3.85Å; E2957-F3243 HydrophobicContact CB-CE2 4.15Å; E2957-F3243 HydrophobicContact CB-CZ 4.47Å; L2962-F3243 HydrophobicContact CD1-CE2 3.9Å; L2962-F3243 HydrophobicContact CD1-CZ 4Å; E3237-F3243 WeakPolarHBondContact OE2-CZ 3.44Å; K3240-F3243 HydrophobicContact CB-CD2 3.95Å; K3240-F3243 HydrophobicContact CB-CE2 4.05Å; K3240-F3243 HydrophobicContact CD-CD2 4.07Å; K3240-F3243 HydrophobicContact CD-CE2 3.72Å; K3240-F3243 HydrophobicContact CG-CD2 4.37Å; K3240-F3243 HydrophobicContact CG-CE2 4.36Å; S3241-F3243 PolarHBondContact O-N 2.85Å; F3243-G3269 WeakPolarHBondContact O-CA 3.46Å; F3243-K3270 HydrophobicContact CD1-CB 3.85Å; F3243-K3270 WeakPolarHBondContact CD1-O 3.27Å; F3243-K3270 HydrophobicContact CE1-CB 4.44Å; F3243-K3270 HydrophobicContact CG-CB 4.44Å; F3243-K3270 PolarHBondContact O-N 3.09Å; F3243-N3318 PolarHBondContact O-ND2 2.84Å; F3243-H3320 HydrophobicContact CB-CB 4.1Å; F3243-H3320 AromaticContact CD1-NE2 3.76Å |
| 3244 | S | 69.5 | Low | 69.8 | Low | 22 Ų | 22 | 46.8 Ų | 46.8 | 15% | 0.154 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -66.3 | 160.4 | 174.9 | 60.7 | 0 | 0 | 0 | 0 | 109.7 | R2956 K3246 | R2956-S3244 VanDerWaalsContact NH2-CB 3.32Å; R2956-S3244 PolarHBondContact NH2-OG 2.67Å; S3244-K3246 PolarHBondContact O-N 3.43Å |
| 3245 | P | 84.3 | Confident | 69.9 | Low | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | trans | -54.4 | 130.6 | 171.5 | -21.6 | 35.6 | 0 | 0 | 0 | 109.4 | V3267 T3268 P3273 A3316 N3318 G3321 A3323 | P3245-V3267 HydrophobicContact CB-CG1 4.5Å; P3245-T3268 CarbonylContact C-O 3.52Å; P3245-T3268 VanDerWaalsContact CA-O 3.27Å; P3245-T3268 WeakPolarHBondContact CA-O 3.46Å; P3245-P3273 HydrophobicContact CB-CB 4.13Å; P3245-P3273 HydrophobicContact CB-CG 3.84Å; P3245-P3273 HydrophobicContact CG-CB 3.92Å; P3245-P3273 HydrophobicContact CG-CG 3.76Å; P3245-A3316 HydrophobicContact CB-CB 3.78Å; P3245-A3316 WeakPolarHBondContact CB-O 3.39Å; P3245-A3316 VanDerWaalsContact CG-O 3.25Å; P3245-A3316 WeakPolarHBondContact CG-O 3.47Å; P3245-N3318 WeakPolarHBondContact CD-OD1 3.49Å; P3245-N3318 HydrophobicContact CG-CB 4.36Å; P3245-G3321 WeakPolarHBondContact CD-O 3.48Å; P3245-G3321 VanDerWaalsContact CG-O 3.32Å; P3245-G3321 WeakPolarHBondContact CG-O 3.27Å; P3245-A3323 HydrophobicContact CB-CB 3.97Å; P3245-A3323 WeakPolarHBondContact O-CB 3.26Å | ||
| 3246 | K | 83.5 | Confident | 70.3 | Confident | 60 Ų | 60 | 47.5 Ų | 47.5 | 26% | 0.261 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 136.7 | 166 | -66.9 | 173.2 | -179.9 | 169.7 | 0 | 106.8 | E2959 S3241 D3242 S3244 L3248 T3268 | E2959-K3246 IonicContact OE1-NZ 2.62Å; E2959-K3246 PolarHBondContact OE1-NZ 2.88Å; S3241-K3246 VanDerWaalsContact O-CE 3.23Å; S3241-K3246 WeakPolarHBondContact O-CE 3.48Å; S3241-K3246 VanDerWaalsContact OG-CE 3.24Å; S3241-K3246 WeakPolarHBondContact OG-CE 3.42Å; S3241-K3246 PolarHBondContact OG-NZ 3.01Å; D3242-K3246 IonicContact OD1-NZ 2.62Å; D3242-K3246 PolarHBondContact OD1-NZ 3.11Å; S3244-K3246 PolarHBondContact O-N 3.43Å; K3246-L3248 PolarHBondContact O-N 3.19Å; K3246-T3268 HydrophobicContact CB-CG2 3.74Å; K3246-T3268 HydrophobicContact CD-CG2 4.33Å; K3246-T3268 PolarHBondContact N-O 3.47Å; K3246-T3268 PolarHBondContact O-N 2.68Å |
| 3247 | F | 87.7 | Confident | 70.3 | Confident | 46 Ų | 46 | 49.5 Ų | 49.5 | 20% | 0.202 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 107.6 | 166.5 | -68.5 | -78.9 | 0 | 0 | 0 | 108.8 | V3265 R3266 V3267 C3314 A3316 A3323 C3325 | F3247-V3265 HydrophobicContact CD1-CB 3.93Å; F3247-V3265 HydrophobicContact CD1-CG1 4.08Å; F3247-V3265 HydrophobicContact CE1-CB 3.89Å; F3247-V3265 HydrophobicContact CE1-CG1 3.85Å; F3247-V3265 HydrophobicContact CE1-CG2 4.19Å; F3247-R3266 CarbonylContact C-O 3.39Å; F3247-R3266 WeakPolarHBondContact CA-O 3.3Å; F3247-V3267 HydrophobicContact CD1-CG2 3.68Å; F3247-V3267 HydrophobicContact CE1-CG2 3.51Å; F3247-V3267 HydrophobicContact CZ-CG2 4.4Å; F3247-C3314 WeakPolarHBondContact CZ-O 3.4Å; F3247-A3316 HydrophobicContact CE1-CB 4.27Å; F3247-A3316 HydrophobicContact CE2-CB 4.36Å; F3247-A3316 HydrophobicContact CZ-CB 3.77Å; F3247-A3323 HydrophobicContact CD2-CB 3.98Å; F3247-A3323 HydrophobicContact CE2-CB 3.67Å; F3247-C3325 HydrophobicContact CD1-CB 4.21Å; F3247-C3325 HydrophobicContact CD2-CB 3.82Å; F3247-C3325 HydrophobicContact CE1-CB 4.03Å; F3247-C3325 HydrophobicContact CE2-CB 3.61Å; F3247-C3325 HydrophobicContact CG-CB 4.12Å; F3247-C3325 HydrophobicContact CZ-CB 3.74Å |
| 3248 | L | 83.4 | Confident | 71.2 | Confident | 98 Ų | 98 | 50.2 Ų | 50.2 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | -34 | 164.2 | -65.5 | -178.9 | 0 | 0 | 0 | 110.4 | K3246 R3266 T3268 | K3246-L3248 PolarHBondContact O-N 3.19Å; L3248-R3266 HydrophobicContact CB-CB 4.2Å; L3248-R3266 HydrophobicContact CB-CG 4.15Å; L3248-R3266 HydrophobicContact CD1-CG 4.22Å; L3248-R3266 PolarHBondContact N-O 2.9Å; L3248-T3268 HydrophobicContact CD1-CG2 4.28Å; L3248-T3268 HydrophobicContact CD2-CG2 3.71Å; L3248-T3268 HydrophobicContact CG-CG2 3.75Å |
| 3249 | Q | 85 | Confident | 72.5 | Confident | 79 Ų | 79 | 45.3 Ų | 45.3 | 37% | 0.369 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 116.3 | 165.6 | 177.9 | 175.6 | -15.7 | 0 | 0 | 106 | V3265 R3266 | Q3249-V3265 WeakPolarHBondContact O-CA 3.18Å; Q3249-R3266 HydrophobicContact CB-CB 3.72Å; Q3249-R3266 PolarHBondContact N-O 2.9Å; Q3249-R3266 VanDerWaalsContact N-O 3.09Å; Q3249-R3266 PolarHBondContact O-N 2.73Å |
| 3250 | G | 83.1 | Confident | 74.6 | Confident | 21 Ų | 21 | 48.9 Ų | 48.9 | 22% | 0.216 | 28% | 0.28 | C | S | . | . | trans | -68.5 | 177.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 3251 | L | 87.3 | Confident | 76.3 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 7% | 0.068 | 28% | 0.283 | C | S | . | . | trans | -59.7 | 144.1 | 160 | -65.6 | 176.7 | 0 | 0 | 0 | 109.2 | F3263 V3265 W3277 C3314 C3325 A3327 | L3251-F3263 HydrophobicContact CD2-CB 3.93Å; L3251-F3263 HydrophobicContact CD2-CD1 3.89Å; L3251-F3263 HydrophobicContact CD2-CG 4.17Å; L3251-V3265 HydrophobicContact CB-CG1 4.4Å; L3251-V3265 HydrophobicContact CD2-CG1 3.3Å; L3251-V3265 HydrophobicContact CG-CG1 3.64Å; L3251-W3277 HydrophobicContact CD1-CZ3 4.47Å; L3251-W3277 HydrophobicContact CD2-CE3 4.37Å; L3251-W3277 HydrophobicContact CD2-CH2 3.42Å; L3251-W3277 VanDerWaalsContact CD2-CH2 3.42Å; L3251-W3277 HydrophobicContact CD2-CZ3 3.27Å; L3251-W3277 HydrophobicContact CG-CZ3 4.47Å; L3251-C3314 HydrophobicContact CD1-CB 3.53Å; L3251-C3314 HydrophobicContact CD2-CB 3.92Å; L3251-C3314 HydrophobicContact CG-CB 3.69Å; L3251-C3325 HydrophobicContact CB-CB 4.45Å; L3251-C3325 HydrophobicContact CG-CB 4.26Å; L3251-C3325 PolarHBondContact N-SG 2.91Å; L3251-A3327 HydrophobicContact CB-CB 3.36Å; L3251-A3327 HydrophobicContact CD1-CB 4.01Å; L3251-A3327 HydrophobicContact CG-CB 4.28Å | ||
| 3252 | L | 82.4 | Confident | 78.1 | Confident | 112 Ų | 112 | 51.5 Ų | 51.5 | 59% | 0.586 | 29% | 0.287 | S | S | * | . | trans | -108.7 | 139 | 168.8 | -58.5 | 176 | 0 | 0 | 0 | 107.3 | I3254 A3327 | L3252-I3254 PolarHBondContact O-N 3.05Å; L3252-I3254 VanDerWaalsContact O-N 3.17Å; L3252-A3327 WeakPolarHBondContact O-CB 3.48Å | ||
| 3253 | D | 84.4 | Confident | 79.3 | Confident | 75 Ų | 75 | 50 Ų | 50 | 40% | 0.401 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 117.5 | 171.7 | -95.1 | 41 | 0 | 0 | 0 | 109.1 | A3327 N3328 | D3253-A3327 WeakPolarHBondContact OD1-CA 3.28Å; D3253-A3327 WeakPolarHBondContact OD1-CB 3.31Å; D3253-N3328 VanDerWaalsContact CG-N 3.3Å; D3253-N3328 PolarHBondContact OD1-N 3.22Å; D3253-N3328 WeakPolarHBondContact OD2-CB 3.48Å; D3253-N3328 PolarHBondContact OD2-N 2.53Å; D3253-N3328 PolarHBondContact OD2-ND2 2.76Å |
| 3254 | I | 83.4 | Confident | 80.5 | Confident | 21 Ų | 21 | 50.4 Ų | 50.4 | 11% | 0.108 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 126.8 | 176.7 | -63.4 | 178.9 | 0 | 0 | 0 | 108 | L3252 H3256 T3261 Q3262 F3263 N3328 L3329 T3330 | L3252-I3254 PolarHBondContact O-N 3.05Å; L3252-I3254 VanDerWaalsContact O-N 3.17Å; I3254-H3256 HydrophobicContact CG2-CB 3.77Å; I3254-T3261 HydrophobicContact CD1-CG2 4.25Å; I3254-T3261 HydrophobicContact CG2-CG2 4.48Å; I3254-Q3262 VanDerWaalsContact CD1-C 3.49Å; I3254-Q3262 VanDerWaalsContact CD1-O 3.3Å; I3254-Q3262 WeakPolarHBondContact CD1-O 3.49Å; I3254-F3263 HydrophobicContact CB-CE1 4.24Å; I3254-F3263 HydrophobicContact CB-CZ 4.44Å; I3254-F3263 HydrophobicContact CD1-CB 4.23Å; I3254-F3263 HydrophobicContact CD1-CD1 3.42Å; I3254-F3263 VanDerWaalsContact CD1-CD1 3.42Å; I3254-F3263 HydrophobicContact CD1-CD2 3.8Å; I3254-F3263 HydrophobicContact CD1-CE1 3.63Å; I3254-F3263 HydrophobicContact CD1-CE2 3.99Å; I3254-F3263 HydrophobicContact CD1-CG 3.52Å; I3254-F3263 HydrophobicContact CD1-CZ 3.93Å; I3254-F3263 HydrophobicContact CG1-CD1 3.76Å; I3254-F3263 HydrophobicContact CG1-CE1 3.66Å; I3254-F3263 HydrophobicContact CG1-CG 4.37Å; I3254-F3263 HydrophobicContact CG1-CZ 4.21Å; I3254-N3328 PolarHBondContact N-O 3.33Å; I3254-N3328 VanDerWaalsContact N-O 3.1Å; I3254-L3329 HydrophobicContact CB-CD1 3.73Å; I3254-L3329 HydrophobicContact CG2-CD1 3.47Å; I3254-L3329 VanDerWaalsContact CG2-CD1 3.47Å; I3254-T3330 PolarHBondContact O-N 2.83Å |
| 3255 | Q | 75 | Confident | 81.5 | Confident | 24 Ų | 24 | 49.4 Ų | 49.4 | 11% | 0.112 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.4 | 149.8 | -88.8 | 167.5 | -66.3 | 0 | 0 | 107.4 | T3330 | Q3255-T3330 WeakPolarHBondContact CA-O 3.4Å; Q3255-T3330 WeakPolarHBondContact CG-OG1 3.46Å |
| 3256 | H | 75.4 | Confident | 81.8 | Confident | 43 Ų | 43 | 53.9 Ų | 53.9 | 20% | 0.199 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 143.6 | -178.9 | -160.7 | 68.5 | 0 | 0 | 0 | 109.8 | I3254 G3258 G3259 E3260 T3261 T3304 L3329 T3330 L3331 S3332 | I3254-H3256 HydrophobicContact CG2-CB 3.77Å; H3256-G3258 VanDerWaalsContact C-N 3.3Å; H3256-G3258 PolarHBondContact CD2-O 3.28Å; H3256-G3258 PolarHBondContact NE2-O 3.37Å; H3256-G3258 VanDerWaalsContact NE2-O 3.12Å; H3256-G3258 PolarHBondContact O-N 3.49Å; H3256-G3259 PolarHBondContact NE2-O 2.83Å; H3256-E3260 PolarHBondContact CE1-O 2.99Å; H3256-E3260 VanDerWaalsContact NE2-C 3.29Å; H3256-E3260 PolarHBondContact NE2-O 2.72Å; H3256-T3261 VanDerWaalsContact CG-OG1 3.22Å; H3256-T3261 PolarHBondContact ND1-OG1 2.55Å; H3256-T3261 VanDerWaalsContact ND1-OG1 3.08Å; H3256-T3304 PolarHBondContact CD2-OG1 3.32Å; H3256-L3329 HydrophobicContact CB-CD1 4.36Å; H3256-T3330 PolarHBondContact N-O 3.24Å; H3256-T3330 VanDerWaalsContact N-O 3.17Å; H3256-L3331 HydrophobicContact CB-CD2 4.26Å; H3256-L3331 CarbonylContact O-C 3.54Å; H3256-L3331 VanDerWaalsContact O-CA 3.23Å; H3256-L3331 WeakPolarHBondContact O-CA 3.46Å; H3256-L3331 WeakPolarHBondContact O-CD2 3.34Å; H3256-S3332 PolarHBondContact O-N 2.89Å; H3256-S3332 PolarHBondContact O-OG 3.1Å |
| 3257 | A | 57.1 | Low | 82 | Confident | 80 Ų | 80 | 51.3 Ų | 51.3 | 66% | 0.661 | 28% | 0.282 | S | S | * | . | trans | -92.3 | 18.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 3258 | G | 65.6 | Low | 81.9 | Confident | 32 Ų | 32 | 50.8 Ų | 50.8 | 33% | 0.33 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 91 | 163.1 | -166.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H3256 T3304 | H3256-G3258 VanDerWaalsContact C-N 3.3Å; H3256-G3258 PolarHBondContact CD2-O 3.28Å; H3256-G3258 PolarHBondContact NE2-O 3.37Å; H3256-G3258 VanDerWaalsContact NE2-O 3.12Å; H3256-G3258 PolarHBondContact O-N 3.49Å; G3258-T3304 WeakPolarHBondContact CA-O 3.4Å |
| 3259 | G | 74.1 | Confident | 81.7 | Confident | 25 Ų | 25 | 46.6 Ų | 46.6 | 26% | 0.258 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 87.7 | -161 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | H3256 T3261 D3303 T3304 | H3256-G3259 PolarHBondContact NE2-O 2.83Å; G3259-T3261 PolarHBondContact O-N 3.03Å; G3259-D3303 PolarHBondContact N-OD1 3.11Å; G3259-T3304 WeakPolarHBondContact O-CB 3.45Å; G3259-T3304 PolarHBondContact O-N 2.81Å; G3259-T3304 PolarHBondContact O-OG1 2.66Å |
| 3260 | E | 79.7 | Confident | 81 | Confident | 162 Ų | 162 | 46.4 Ų | 46.4 | 76% | 0.757 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -70.1 | 112.3 | -176 | -70.2 | -169.8 | 164.2 | 0 | 0 | 112.6 | H3256 I3301 S3302 | H3256-E3260 PolarHBondContact CE1-O 2.99Å; H3256-E3260 VanDerWaalsContact NE2-C 3.29Å; H3256-E3260 PolarHBondContact NE2-O 2.72Å; E3260-I3301 CarbonylContact C-O 3.48Å; E3260-I3301 WeakPolarHBondContact CA-O 3.18Å; E3260-S3302 VanDerWaalsContact CG-O 3.28Å; E3260-S3302 WeakPolarHBondContact CG-O 3.36Å |
| 3261 | T | 82.8 | Confident | 80.5 | Confident | 12 Ų | 12 | 48.7 Ų | 48.7 | 7% | 0.074 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 162.1 | 170.1 | -140.6 | 0 | 0 | 0 | 0 | 113.1 | I3254 H3256 G3259 L3300 I3301 T3304 L3329 | I3254-T3261 HydrophobicContact CD1-CG2 4.25Å; I3254-T3261 HydrophobicContact CG2-CG2 4.48Å; H3256-T3261 VanDerWaalsContact CG-OG1 3.22Å; H3256-T3261 PolarHBondContact ND1-OG1 2.55Å; H3256-T3261 VanDerWaalsContact ND1-OG1 3.08Å; G3259-T3261 PolarHBondContact O-N 3.03Å; T3261-L3300 CarbonylContact O-C 3.54Å; T3261-L3300 WeakPolarHBondContact O-CA 3.42Å; T3261-I3301 HydrophobicContact CG2-CB 4.06Å; T3261-I3301 HydrophobicContact CG2-CD1 3.96Å; T3261-I3301 HydrophobicContact CG2-CG1 4.18Å; T3261-I3301 PolarHBondContact N-O 2.7Å; T3261-I3301 PolarHBondContact O-N 3.49Å; T3261-T3304 WeakPolarHBondContact CB-OG1 3.33Å; T3261-T3304 HydrophobicContact CG2-CG2 4.26Å; T3261-T3304 WeakPolarHBondContact CG2-OG1 3.31Å; T3261-L3329 HydrophobicContact CG2-CD1 4.19Å; T3261-L3329 HydrophobicContact CG2-CD2 4.36Å |
| 3262 | Q | 87.7 | Confident | 80.1 | Confident | 100 Ų | 100 | 54 Ų | 54 | 47% | 0.467 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 129.3 | 171.6 | 56 | 173.3 | -3.4 | 0 | 0 | 112.4 | I3254 F3298 L3299 L3300 | I3254-Q3262 VanDerWaalsContact CD1-C 3.49Å; I3254-Q3262 VanDerWaalsContact CD1-O 3.3Å; I3254-Q3262 WeakPolarHBondContact CD1-O 3.49Å; Q3262-F3298 VanDerWaalsContact OE1-CD1 3.3Å; Q3262-L3299 CarbonylContact C-O 3.59Å; Q3262-L3299 VanDerWaalsContact CA-O 3.28Å; Q3262-L3299 WeakPolarHBondContact CA-O 3.48Å; Q3262-L3300 HydrophobicContact CB-CB 4.46Å; Q3262-L3300 HydrophobicContact CB-CD2 4.18Å; Q3262-L3300 HydrophobicContact CB-CG 3.98Å |
| 3263 | F | 89.5 | Confident | 80 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 140.6 | 157.7 | -69.8 | -81.7 | 0 | 0 | 0 | 109.1 | L3251 I3254 W3277 F3298 L3299 Y3312 A3327 L3329 | L3251-F3263 HydrophobicContact CD2-CB 3.93Å; L3251-F3263 HydrophobicContact CD2-CD1 3.89Å; L3251-F3263 HydrophobicContact CD2-CG 4.17Å; I3254-F3263 HydrophobicContact CB-CE1 4.24Å; I3254-F3263 HydrophobicContact CB-CZ 4.44Å; I3254-F3263 HydrophobicContact CD1-CB 4.23Å; I3254-F3263 HydrophobicContact CD1-CD1 3.42Å; I3254-F3263 VanDerWaalsContact CD1-CD1 3.42Å; I3254-F3263 HydrophobicContact CD1-CD2 3.8Å; I3254-F3263 HydrophobicContact CD1-CE1 3.63Å; I3254-F3263 HydrophobicContact CD1-CE2 3.99Å; I3254-F3263 HydrophobicContact CD1-CG 3.52Å; I3254-F3263 HydrophobicContact CD1-CZ 3.93Å; I3254-F3263 HydrophobicContact CG1-CD1 3.76Å; I3254-F3263 HydrophobicContact CG1-CE1 3.66Å; I3254-F3263 HydrophobicContact CG1-CG 4.37Å; I3254-F3263 HydrophobicContact CG1-CZ 4.21Å; F3263-W3277 HydrophobicContact CB-CH2 3.4Å; F3263-W3277 VanDerWaalsContact CB-CH2 3.4Å; F3263-W3277 HydrophobicContact CB-CZ3 3.36Å; F3263-W3277 HydrophobicContact CD2-CZ3 4.21Å; F3263-W3277 HydrophobicContact CG-CH2 4.39Å; F3263-W3277 AromaticContact CG-CZ3 3.87Å; F3263-W3277 HydrophobicContact CG-CZ3 3.87Å; F3263-F3298 CarbonylContact O-C 3.54Å; F3263-F3298 WeakPolarHBondContact O-CA 3.32Å; F3263-L3299 HydrophobicContact CB-CB 4.41Å; F3263-L3299 HydrophobicContact CD2-CD2 4.36Å; F3263-L3299 PolarHBondContact N-O 2.76Å; F3263-L3299 PolarHBondContact O-N 2.7Å; F3263-Y3312 HydrophobicContact CD2-CD1 4.32Å; F3263-Y3312 HydrophobicContact CD2-CG 4.28Å; F3263-Y3312 AromaticContact CE2-CD1 3.85Å; F3263-Y3312 HydrophobicContact CE2-CD1 3.85Å; F3263-Y3312 AromaticContact CE2-CD2 3.49Å; F3263-Y3312 HydrophobicContact CE2-CD2 3.49Å; F3263-Y3312 VanDerWaalsContact CE2-CD2 3.49Å; F3263-Y3312 HydrophobicContact CE2-CE1 4.17Å; F3263-Y3312 AromaticContact CE2-CE2 3.88Å; F3263-Y3312 HydrophobicContact CE2-CE2 3.88Å; F3263-Y3312 AromaticContact CE2-CG 3.49Å; F3263-Y3312 HydrophobicContact CE2-CG 3.49Å; F3263-Y3312 VanDerWaalsContact CE2-CG 3.49Å; F3263-Y3312 AromaticContact CZ-CD2 3.63Å; F3263-Y3312 HydrophobicContact CZ-CD2 3.63Å; F3263-Y3312 HydrophobicContact CZ-CE2 4.3Å; F3263-Y3312 AromaticContact CZ-CG 3.84Å; F3263-Y3312 HydrophobicContact CZ-CG 3.84Å; F3263-A3327 HydrophobicContact CD1-CB 4.36Å; F3263-A3327 HydrophobicContact CE1-CB 3.75Å; F3263-L3329 HydrophobicContact CE2-CB 4.14Å; F3263-L3329 HydrophobicContact CE2-CD2 4.4Å; F3263-L3329 HydrophobicContact CZ-CB 3.82Å |
| 3264 | C | 89.1 | Confident | 79.9 | Confident | 26 Ų | 26 | 48.7 Ų | 48.7 | 18% | 0.176 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 124.7 | 170.2 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | F3298 | C3264-F3298 HydrophobicContact CB-CD1 3.72Å; C3264-F3298 HydrophobicContact CB-CE1 3.77Å; C3264-F3298 WeakPolarHBondContact SG-CE1 3.3Å |
| 3265 | V | 91.4 | Very high | 80 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 146 | 163.5 | -62.5 | 0 | 0 | 0 | 0 | 109.5 | F3247 Q3249 L3251 V3267 V3275 W3277 N3296 Y3297 C3314 | F3247-V3265 HydrophobicContact CD1-CB 3.93Å; F3247-V3265 HydrophobicContact CD1-CG1 4.08Å; F3247-V3265 HydrophobicContact CE1-CB 3.89Å; F3247-V3265 HydrophobicContact CE1-CG1 3.85Å; F3247-V3265 HydrophobicContact CE1-CG2 4.19Å; Q3249-V3265 WeakPolarHBondContact O-CA 3.18Å; L3251-V3265 HydrophobicContact CB-CG1 4.4Å; L3251-V3265 HydrophobicContact CD2-CG1 3.3Å; L3251-V3265 HydrophobicContact CG-CG1 3.64Å; V3265-V3267 HydrophobicContact CB-CG2 4.21Å; V3265-V3267 HydrophobicContact CG2-CG2 3.77Å; V3265-V3275 HydrophobicContact CG2-CG1 4.14Å; V3265-W3277 HydrophobicContact CG1-CH2 4.3Å; V3265-W3277 HydrophobicContact CG2-CZ2 4.28Å; V3265-N3296 CarbonylContact O-C 3.51Å; V3265-N3296 WeakPolarHBondContact O-CA 3.28Å; V3265-Y3297 PolarHBondContact N-O 3.37Å; V3265-Y3297 PolarHBondContact O-N 2.85Å; V3265-C3314 HydrophobicContact CG1-CB 4.12Å |
| 3266 | R | 90.4 | Very high | 80.4 | Confident | 101 Ų | 101 | 48.4 Ų | 48.4 | 38% | 0.381 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 115.8 | 163.7 | -167.3 | 177.4 | 176.2 | -171.5 | -1.1 | 109.2 | F3247 L3248 Q3249 D3295 N3296 | F3247-R3266 CarbonylContact C-O 3.39Å; F3247-R3266 WeakPolarHBondContact CA-O 3.3Å; L3248-R3266 HydrophobicContact CB-CB 4.2Å; L3248-R3266 HydrophobicContact CB-CG 4.15Å; L3248-R3266 HydrophobicContact CD1-CG 4.22Å; L3248-R3266 PolarHBondContact N-O 2.9Å; Q3249-R3266 HydrophobicContact CB-CB 3.72Å; Q3249-R3266 PolarHBondContact N-O 2.9Å; Q3249-R3266 VanDerWaalsContact N-O 3.09Å; Q3249-R3266 PolarHBondContact O-N 2.73Å; R3266-D3295 CarbonylContact C-O 3.54Å; R3266-D3295 WeakPolarHBondContact CA-O 3.44Å; R3266-D3295 HydrophobicContact CG-CB 3.64Å; R3266-D3295 IonicContact CZ-OD2 2.98Å; R3266-D3295 VanDerWaalsContact CZ-OD2 3.29Å; R3266-D3295 IonicContact NE-OD2 3.21Å; R3266-D3295 PolarHBondContact NE-OD2 2.81Å; R3266-D3295 IonicContact NH2-OD2 3.8Å; R3266-D3295 PolarHBondContact NH2-OD2 3.04Å; R3266-N3296 WeakPolarHBondContact CD-OD1 3.36Å; R3266-N3296 VanDerWaalsContact CG-OD1 3.27Å; R3266-N3296 WeakPolarHBondContact CG-OD1 3.37Å |
| 3267 | V | 88.2 | Confident | 80.8 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.8 | -173.3 | 174.5 | 0 | 0 | 0 | 0 | 109.3 | P3245 F3247 V3265 P3273 V3275 D3295 Y3297 A3316 | P3245-V3267 HydrophobicContact CB-CG1 4.5Å; F3247-V3267 HydrophobicContact CD1-CG2 3.68Å; F3247-V3267 HydrophobicContact CE1-CG2 3.51Å; F3247-V3267 HydrophobicContact CZ-CG2 4.4Å; V3265-V3267 HydrophobicContact CB-CG2 4.21Å; V3265-V3267 HydrophobicContact CG2-CG2 3.77Å; V3267-P3273 HydrophobicContact CG1-CB 3.84Å; V3267-P3273 HydrophobicContact CG1-CG 3.61Å; V3267-V3275 HydrophobicContact CB-CG2 4.27Å; V3267-V3275 HydrophobicContact CG1-CG2 4.34Å; V3267-V3275 HydrophobicContact CG2-CG2 3.93Å; V3267-D3295 PolarHBondContact N-O 3.36Å; V3267-Y3297 HydrophobicContact CB-CD2 4.17Å; V3267-Y3297 HydrophobicContact CB-CE2 3.91Å; V3267-Y3297 HydrophobicContact CG2-CD2 4.34Å; V3267-A3316 HydrophobicContact CG1-CB 3.82Å; V3267-A3316 HydrophobicContact CG2-CB 4.04Å |
| 3268 | T | 85.6 | Confident | 81.8 | Confident | 36 Ų | 36 | 47 Ų | 47 | 22% | 0.221 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 158.5 | 163 | -167.1 | 0 | 0 | 0 | 0 | 110.1 | P3245 K3246 L3248 | P3245-T3268 CarbonylContact C-O 3.52Å; P3245-T3268 VanDerWaalsContact CA-O 3.27Å; P3245-T3268 WeakPolarHBondContact CA-O 3.46Å; K3246-T3268 HydrophobicContact CB-CG2 3.74Å; K3246-T3268 HydrophobicContact CD-CG2 4.33Å; K3246-T3268 PolarHBondContact N-O 3.47Å; K3246-T3268 PolarHBondContact O-N 2.68Å; L3248-T3268 HydrophobicContact CD1-CG2 4.28Å; L3248-T3268 HydrophobicContact CD2-CG2 3.71Å; L3248-T3268 HydrophobicContact CG-CG2 3.75Å |
| 3269 | G | 79.6 | Confident | 82.2 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | trans | 158.4 | 150.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | F3243 P3271 | F3243-G3269 WeakPolarHBondContact O-CA 3.46Å; G3269-P3271 CarbonylContact C-O 3.55Å; G3269-P3271 CarbonylContact O-C 3.57Å | ||
| 3270 | K | 68.9 | Low | 81.5 | Confident | 75 Ų | 75 | 52.3 Ų | 52.3 | 33% | 0.326 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -134.6 | 119.9 | -178.6 | -71.9 | 172.5 | 178.2 | 166.7 | 0 | 108 | E2966 F3243 N3318 H3320 | E2966-K3270 IonicContact OE1-NZ 2.69Å; E2966-K3270 PolarHBondContact OE1-NZ 2.88Å; F3243-K3270 HydrophobicContact CD1-CB 3.85Å; F3243-K3270 WeakPolarHBondContact CD1-O 3.27Å; F3243-K3270 HydrophobicContact CE1-CB 4.44Å; F3243-K3270 HydrophobicContact CG-CB 4.44Å; F3243-K3270 PolarHBondContact O-N 3.09Å; K3270-N3318 PolarHBondContact N-ND2 3.17Å; K3270-N3318 PolarHBondContact O-ND2 3.34Å; K3270-H3320 PolarHBondContact O-CD2 3.05Å; K3270-H3320 PolarHBondContact O-NE2 2.7Å |
| 3271 | P | 73.3 | Confident | 80.2 | Confident | 69 Ų | 69 | 47 Ų | 47 | 45% | 0.448 | 26% | 0.256 | S | S | . | . | S | Bend | cis | -59.3 | 162.8 | -8.2 | 28.8 | -35.8 | 0 | 0 | 0 | 112.5 | G3269 N3318 I3319 | G3269-P3271 CarbonylContact C-O 3.55Å; G3269-P3271 CarbonylContact O-C 3.57Å; P3271-N3318 HydrophobicContact CG-CB 4.46Å; P3271-N3318 PolarHBondContact O-ND2 2.82Å; P3271-I3319 HydrophobicContact CG-CD1 4.13Å; P3271-I3319 HydrophobicContact CG-CG1 4.06Å |
| 3272 | Q | 77.7 | Confident | 78.1 | Confident | 124 Ų | 124 | 55.7 Ų | 55.7 | 58% | 0.579 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 125.6 | -176.8 | 179.2 | 167.4 | 5 | 0 | 0 | 111 | R3294 Y3297 | Q3272-R3294 PolarHBondContact NE2-O 3.04Å; Q3272-Y3297 WeakPolarHBondContact CG-OH 3.49Å; Q3272-Y3297 PolarHBondContact NE2-OH 3.05Å |
| 3273 | P | 80.3 | Confident | 76.2 | Confident | 6 Ų | 6 | 53.6 Ų | 53.6 | 4% | 0.039 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 146.4 | -174.6 | -26.9 | 39.1 | 0 | 0 | 0 | 114.4 | P3245 V3267 Y3297 A3316 R3317 N3318 | P3245-P3273 HydrophobicContact CB-CB 4.13Å; P3245-P3273 HydrophobicContact CB-CG 3.84Å; P3245-P3273 HydrophobicContact CG-CB 3.92Å; P3245-P3273 HydrophobicContact CG-CG 3.76Å; V3267-P3273 HydrophobicContact CG1-CB 3.84Å; V3267-P3273 HydrophobicContact CG1-CG 3.61Å; P3273-Y3297 PolarHBondContact O-OH 3.08Å; P3273-A3316 HydrophobicContact CB-CB 4.29Å; P3273-R3317 CarbonylContact C-O 3.43Å; P3273-R3317 VanDerWaalsContact CA-O 3.23Å; P3273-R3317 WeakPolarHBondContact CA-O 3.46Å; P3273-R3317 WeakPolarHBondContact CB-O 3.38Å; P3273-N3318 HydrophobicContact CB-CB 4.49Å; P3273-N3318 HydrophobicContact CG-CB 4.43Å |
| 3274 | T | 82.4 | Confident | 74.1 | Confident | 70 Ų | 70 | 58 Ų | 58 | 43% | 0.429 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 127.2 | 160.7 | -43.7 | 0 | 0 | 0 | 0 | 107.8 | L3276 A3316 R3317 | T3274-L3276 HydrophobicContact CG2-CD2 3.84Å; T3274-L3276 HydrophobicContact CG2-CG 4.25Å; T3274-A3316 CarbonylContact O-C 3.55Å; T3274-A3316 WeakPolarHBondContact O-CA 3.36Å; T3274-R3317 PolarHBondContact N-O 3.24Å; T3274-R3317 PolarHBondContact O-N 2.87Å |
| 3275 | V | 86.4 | Confident | 72.6 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 11% | 0.109 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.4 | 178.6 | 176.7 | 0 | 0 | 0 | 0 | 109.5 | V3265 V3267 Y3297 C3314 V3315 A3316 | V3265-V3275 HydrophobicContact CG2-CG1 4.14Å; V3267-V3275 HydrophobicContact CB-CG2 4.27Å; V3267-V3275 HydrophobicContact CG1-CG2 4.34Å; V3267-V3275 HydrophobicContact CG2-CG2 3.93Å; V3275-Y3297 HydrophobicContact CB-CD1 3.47Å; V3275-Y3297 VanDerWaalsContact CB-CD1 3.47Å; V3275-Y3297 HydrophobicContact CB-CD2 4.45Å; V3275-Y3297 HydrophobicContact CB-CE1 3.75Å; V3275-Y3297 HydrophobicContact CB-CG 3.84Å; V3275-Y3297 HydrophobicContact CG1-CD1 4.15Å; V3275-Y3297 HydrophobicContact CG1-CG 4.09Å; V3275-Y3297 HydrophobicContact CG2-CD1 3.56Å; V3275-Y3297 HydrophobicContact CG2-CD2 3.79Å; V3275-Y3297 HydrophobicContact CG2-CE1 3.5Å; V3275-Y3297 HydrophobicContact CG2-CE2 3.79Å; V3275-Y3297 HydrophobicContact CG2-CG 3.68Å; V3275-C3314 WeakPolarHBondContact CG1-SG 3.34Å; V3275-V3315 WeakPolarHBondContact CA-O 3.36Å; V3275-A3316 HydrophobicContact CG2-CB 4.07Å |
| 3276 | L | 83.5 | Confident | 71.3 | Confident | 20 Ų | 20 | 65.6 Ų | 65.6 | 11% | 0.105 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 138.8 | -164.8 | -55.4 | 166 | 0 | 0 | 0 | 109 | F2946 T3274 F3278 C3314 V3315 R3317 | F2946-L3276 HydrophobicContact CB-CD1 3.98Å; F2946-L3276 HydrophobicContact CD1-CD1 3.27Å; F2946-L3276 HydrophobicContact CD1-CD2 3.93Å; F2946-L3276 HydrophobicContact CD1-CG 4.22Å; F2946-L3276 HydrophobicContact CD2-CD1 3.87Å; F2946-L3276 HydrophobicContact CE1-CD1 3.69Å; F2946-L3276 HydrophobicContact CE1-CD2 3.38Å; F2946-L3276 HydrophobicContact CE1-CG 4.16Å; F2946-L3276 HydrophobicContact CE2-CD1 4.21Å; F2946-L3276 HydrophobicContact CE2-CD2 4.21Å; F2946-L3276 HydrophobicContact CG-CD1 3.36Å; F2946-L3276 HydrophobicContact CZ-CD1 4.14Å; F2946-L3276 HydrophobicContact CZ-CD2 3.54Å; F2946-L3276 HydrophobicContact CZ-CG 4.39Å; T3274-L3276 HydrophobicContact CG2-CD2 3.84Å; T3274-L3276 HydrophobicContact CG2-CG 4.25Å; L3276-F3278 HydrophobicContact CB-CE2 3.77Å; L3276-F3278 HydrophobicContact CB-CZ 4.19Å; L3276-C3314 CarbonylContact O-C 3.59Å; L3276-C3314 VanDerWaalsContact O-CA 3.32Å; L3276-C3314 WeakPolarHBondContact O-CA 3.35Å; L3276-V3315 HydrophobicContact CB-CB 4.31Å; L3276-V3315 WeakPolarHBondContact CB-O 3.42Å; L3276-V3315 PolarHBondContact N-O 2.93Å; L3276-V3315 PolarHBondContact O-N 2.78Å; L3276-R3317 HydrophobicContact CD1-CG 4.33Å |
| 3277 | W | 83.7 | Confident | 70.6 | Confident | 32 Ų | 32 | 63.1 Ų | 63.1 | 12% | 0.121 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.5 | -174.8 | -61.8 | 84.8 | 0 | 0 | 0 | 110.1 | L3251 F3263 V3265 I3290 L3299 C3314 | L3251-W3277 HydrophobicContact CD1-CZ3 4.47Å; L3251-W3277 HydrophobicContact CD2-CE3 4.37Å; L3251-W3277 HydrophobicContact CD2-CH2 3.42Å; L3251-W3277 VanDerWaalsContact CD2-CH2 3.42Å; L3251-W3277 HydrophobicContact CD2-CZ3 3.27Å; L3251-W3277 HydrophobicContact CG-CZ3 4.47Å; F3263-W3277 HydrophobicContact CB-CH2 3.4Å; F3263-W3277 VanDerWaalsContact CB-CH2 3.4Å; F3263-W3277 HydrophobicContact CB-CZ3 3.36Å; F3263-W3277 HydrophobicContact CD2-CZ3 4.21Å; F3263-W3277 HydrophobicContact CG-CH2 4.39Å; F3263-W3277 AromaticContact CG-CZ3 3.87Å; F3263-W3277 HydrophobicContact CG-CZ3 3.87Å; V3265-W3277 HydrophobicContact CG1-CH2 4.3Å; V3265-W3277 HydrophobicContact CG2-CZ2 4.28Å; W3277-I3290 HydrophobicContact CG-CD1 4.36Å; W3277-L3299 HydrophobicContact CB-CD2 4.13Å; W3277-L3299 HydrophobicContact CD2-CB 3.6Å; W3277-L3299 HydrophobicContact CD2-CD2 3.84Å; W3277-L3299 HydrophobicContact CD2-CG 4.3Å; W3277-L3299 HydrophobicContact CE3-CB 3.62Å; W3277-L3299 HydrophobicContact CE3-CD2 3.48Å; W3277-L3299 VanDerWaalsContact CE3-CD2 3.48Å; W3277-L3299 HydrophobicContact CE3-CG 4.21Å; W3277-L3299 HydrophobicContact CG-CB 4.24Å; W3277-L3299 HydrophobicContact CG-CD2 4.13Å; W3277-L3299 HydrophobicContact CH2-CB 3.8Å; W3277-L3299 HydrophobicContact CZ2-CB 3.8Å; W3277-L3299 HydrophobicContact CZ3-CB 3.69Å; W3277-L3299 HydrophobicContact CZ3-CD2 4.09Å; W3277-C3314 HydrophobicContact CE3-CB 4.31Å; W3277-C3314 HydrophobicContact CZ3-CB 4.32Å |
| 3278 | F | 78.5 | Confident | 70.2 | Confident | 62 Ų | 62 | 64.3 Ų | 64.3 | 27% | 0.272 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 161.3 | 175.5 | -54.8 | -89.4 | 0 | 0 | 0 | 109.9 | F2946 L3276 Y3312 E3313 V3315 | F2946-F3278 HydrophobicContact CD2-CE1 4.18Å; F2946-F3278 AromaticContact CD2-CZ 3.59Å; F2946-F3278 HydrophobicContact CD2-CZ 3.59Å; F2946-F3278 HydrophobicContact CE2-CE1 4.19Å; F2946-F3278 AromaticContact CE2-CZ 3.84Å; F2946-F3278 HydrophobicContact CE2-CZ 3.84Å; L3276-F3278 HydrophobicContact CB-CE2 3.77Å; L3276-F3278 HydrophobicContact CB-CZ 4.19Å; F3278-Y3312 CarbonylContact O-C 3.59Å; F3278-Y3312 VanDerWaalsContact O-CA 3.26Å; F3278-Y3312 WeakPolarHBondContact O-CA 3.43Å; F3278-E3313 HydrophobicContact CB-CB 4.37Å; F3278-E3313 PolarHBondContact N-O 2.89Å; F3278-E3313 PolarHBondContact O-N 2.92Å; F3278-V3315 HydrophobicContact CD2-CG2 3.74Å; F3278-V3315 HydrophobicContact CE2-CB 3.99Å; F3278-V3315 HydrophobicContact CE2-CG2 3.54Å |
| 3279 | K | 74.4 | Confident | 69.9 | Low | 35 Ų | 35 | 65.6 Ų | 65.6 | 15% | 0.152 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 155.5 | 166.9 | 175.4 | -179.5 | 173.6 | 175.5 | 0 | 109.1 | G3281 L3283 L3307 D3308 A3309 T3311 Y3312 | K3279-G3281 PolarHBondContact O-N 2.76Å; K3279-G3281 VanDerWaalsContact O-N 3.15Å; K3279-L3283 HydrophobicContact CB-CD1 3.35Å; K3279-L3283 HydrophobicContact CB-CG 3.8Å; K3279-L3283 HydrophobicContact CD-CD1 3.86Å; K3279-L3283 HydrophobicContact CD-CD2 3.94Å; K3279-L3283 HydrophobicContact CD-CG 3.88Å; K3279-L3283 HydrophobicContact CG-CD1 4.25Å; K3279-L3283 HydrophobicContact CG-CG 4.44Å; K3279-L3307 PolarHBondContact NZ-O 2.99Å; K3279-D3308 PolarHBondContact NZ-O 3.05Å; K3279-A3309 WeakPolarHBondContact CE-O 3.23Å; K3279-A3309 PolarHBondContact NZ-O 2.69Å; K3279-T3311 WeakPolarHBondContact CA-O 3.13Å; K3279-Y3312 HydrophobicContact CD-CE1 4.38Å; K3279-Y3312 HydrophobicContact CD-CE2 3.93Å |
| 3280 | V | 59.2 | Low | 70.1 | Confident | 134 Ų | 134 | 70.1 Ų | 70.1 | 81% | 0.812 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -76.5 | 94.6 | 167.2 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | ||
| 3281 | G | 50.6 | Low | 70.7 | Confident | 50 Ų | 50 | 73.1 Ų | 73.1 | 52% | 0.515 | 40% | 0.404 | S | S | . | . | S | Bend | trans | 122 | 144.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111 | K3279 | K3279-G3281 PolarHBondContact O-N 2.76Å; K3279-G3281 VanDerWaalsContact O-N 3.15Å |
| 3282 | F | 39.8 | Very low | 71.1 | Confident | 195 Ų | 195 | 73.5 Ų | 73.5 | 86% | 0.855 | 41% | 0.405 | S | S | * | . | trans | -62.1 | 135.7 | -169.6 | -144.1 | -93.7 | 0 | 0 | 0 | 112.1 | S3284 | F3282-S3284 WeakPolarHBondContact CE1-OG 3.42Š| ||
| 3283 | L | 46.9 | Very low | 71.2 | Confident | 55 Ų | 55 | 71.5 Ų | 71.5 | 29% | 0.288 | 40% | 0.398 | S | S | . | . | trans | -131.8 | 96.2 | 176.2 | -78 | -174.3 | 0 | 0 | 0 | 111.3 | K3279 H3288 Y3312 | K3279-L3283 HydrophobicContact CB-CD1 3.35Å; K3279-L3283 HydrophobicContact CB-CG 3.8Å; K3279-L3283 HydrophobicContact CD-CD1 3.86Å; K3279-L3283 HydrophobicContact CD-CD2 3.94Å; K3279-L3283 HydrophobicContact CD-CG 3.88Å; K3279-L3283 HydrophobicContact CG-CD1 4.25Å; K3279-L3283 HydrophobicContact CG-CG 4.44Å; L3283-H3288 WeakPolarHBondContact CD2-NE2 3.49Å; L3283-Y3312 HydrophobicContact CD1-CD1 3.94Å; L3283-Y3312 HydrophobicContact CD1-CE1 3.4Å | ||
| 3284 | S | 45.7 | Very low | 71.2 | Confident | 94 Ų | 94 | 80.3 Ų | 80.3 | 66% | 0.657 | 43% | 0.431 | S | S | * | . | trans | -163.1 | 72.3 | 164.7 | 64.3 | 0 | 0 | 0 | 0 | 110.2 | F3282 | F3282-S3284 WeakPolarHBondContact CE1-OG 3.42Š| ||
| 3285 | D | 57.7 | Low | 71.1 | Confident | 62 Ų | 62 | 79.8 Ų | 79.8 | 33% | 0.332 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -117.4 | 175.9 | 170.9 | 75.3 | -0.4 | 0 | 0 | 0 | 111.3 | R3287 H3288 | D3285-R3287 PolarHBondContact O-N 2.83Å; D3285-R3287 PolarHBondContact OD1-N 2.95Å; D3285-R3287 IonicContact OD2-CZ 2.74Å; D3285-R3287 IonicContact OD2-NE 2.69Å; D3285-R3287 PolarHBondContact OD2-NE 3.01Å; D3285-R3287 IonicContact OD2-NH2 2.82Å; D3285-R3287 PolarHBondContact OD2-NH2 2.97Å; D3285-H3288 IonicContact OD1-CE1 2.87Å; D3285-H3288 IonicContact OD1-CG 2.68Å; D3285-H3288 PolarHBondContact OD1-N 3.32Å; D3285-H3288 IonicContact OD1-ND1 3.2Å; D3285-H3288 PolarHBondContact OD1-ND1 2.72Å |
| 3286 | S | 64.1 | Low | 71.1 | Confident | 124 Ų | 124 | 80.7 Ų | 80.7 | 87% | 0.867 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -6.1 | -179.6 | 50.5 | 0 | 0 | 0 | 0 | 114.5 | ||
| 3287 | R | 76.6 | Confident | 71.4 | Confident | 50 Ų | 50 | 80.5 Ų | 80.5 | 19% | 0.189 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -31.1 | -177.6 | -58.8 | 178.4 | -59.6 | 121.3 | 12.1 | 111.6 | D3285 I3301 S3302 D3303 C3305 D3308 | D3285-R3287 PolarHBondContact O-N 2.83Å; D3285-R3287 PolarHBondContact OD1-N 2.95Å; D3285-R3287 IonicContact OD2-CZ 2.74Å; D3285-R3287 IonicContact OD2-NE 2.69Å; D3285-R3287 PolarHBondContact OD2-NE 3.01Å; D3285-R3287 IonicContact OD2-NH2 2.82Å; D3285-R3287 PolarHBondContact OD2-NH2 2.97Å; R3287-I3301 CarbonylContact O-C 3.59Å; R3287-I3301 VanDerWaalsContact O-CA 3.3Å; R3287-I3301 WeakPolarHBondContact O-CA 3.18Å; R3287-S3302 WeakPolarHBondContact CA-OG 3.46Å; R3287-S3302 PolarHBondContact O-N 2.74Å; R3287-S3302 PolarHBondContact O-OG 2.71Å; R3287-D3303 PolarHBondContact NH1-O 2.87Å; R3287-C3305 PolarHBondContact NH1-SG 3.14Å; R3287-D3308 IonicContact CZ-OD1 3.66Å; R3287-D3308 IonicContact CZ-OD2 2.64Å; R3287-D3308 IonicContact NH1-OD1 3.38Å; R3287-D3308 PolarHBondContact NH1-OD1 3.3Å; R3287-D3308 IonicContact NH1-OD2 2.75Å; R3287-D3308 PolarHBondContact NH1-OD2 2.81Å; R3287-D3308 IonicContact NH2-OD1 3.42Å; R3287-D3308 PolarHBondContact NH2-OD1 3.28Å; R3287-D3308 IonicContact NH2-OD2 3.76Å |
| 3288 | H | 80.1 | Confident | 71.7 | Confident | 29 Ų | 29 | 80.8 Ų | 80.8 | 13% | 0.134 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 125.7 | 178 | -68.1 | 78.1 | 0 | 0 | 0 | 112.1 | L3283 D3285 L3299 L3300 D3308 Y3312 | L3283-H3288 WeakPolarHBondContact CD2-NE2 3.49Å; D3285-H3288 IonicContact OD1-CE1 2.87Å; D3285-H3288 IonicContact OD1-CG 2.68Å; D3285-H3288 PolarHBondContact OD1-N 3.32Å; D3285-H3288 IonicContact OD1-ND1 3.2Å; D3285-H3288 PolarHBondContact OD1-ND1 2.72Å; H3288-L3299 HydrophobicContact CB-CD1 4.32Å; H3288-L3300 CarbonylContact C-O 3.54Å; H3288-L3300 WeakPolarHBondContact CA-O 3.5Å; H3288-D3308 IonicContact CE1-OD1 3.12Å; H3288-D3308 PolarHBondContact CE1-OD1 2.87Å; H3288-D3308 VanDerWaalsContact CE1-OD1 3.31Å; H3288-D3308 IonicContact NE2-OD1 2.76Å; H3288-Y3312 AromaticContact NE2-CE1 3.99Å; H3288-Y3312 AromaticContact NE2-CZ 3.91Å; H3288-Y3312 PolarHBondContact NE2-OH 2.82Å |
| 3289 | S | 79.5 | Confident | 72.2 | Confident | 63 Ų | 63 | 78.1 Ų | 78.1 | 44% | 0.441 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 140.2 | 174.4 | 63.8 | 0 | 0 | 0 | 0 | 112.8 | L3300 | S3289-L3300 PolarHBondContact N-O 2.78Å; S3289-L3300 PolarHBondContact O-N 2.83Å |
| 3290 | I | 83.6 | Confident | 72.8 | Confident | 106 Ų | 106 | 78.6 Ų | 78.6 | 54% | 0.544 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 136.5 | -179.4 | -64 | 164.9 | 0 | 0 | 0 | 109.4 | W3277 F3298 L3299 | W3277-I3290 HydrophobicContact CG-CD1 4.36Å; I3290-F3298 VanDerWaalsContact CA-O 3.31Å; I3290-F3298 WeakPolarHBondContact CA-O 3.43Å; I3290-L3299 HydrophobicContact CG1-CD1 3.85Å |
| 3291 | K | 79.9 | Confident | 74.1 | Confident | 137 Ų | 137 | 72.3 Ų | 72.3 | 60% | 0.596 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 148.5 | -176.9 | -157.7 | 173.2 | -171.6 | 172.3 | 0 | 110.5 | F3298 L3300 | K3291-F3298 HydrophobicContact CB-CB 4.28Å; K3291-F3298 PolarHBondContact N-O 2.96Å; K3291-F3298 PolarHBondContact O-N 2.61Å; K3291-L3300 HydrophobicContact CB-CD1 3.66Å; K3291-L3300 HydrophobicContact CD-CD1 4.05Å |
| 3292 | V | 81.7 | Confident | 75.5 | Confident | 78 Ų | 78 | 72.8 Ų | 72.8 | 47% | 0.473 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 130.5 | -176.9 | -171.7 | 0 | 0 | 0 | 0 | 110.6 | N3296 Y3297 | V3292-N3296 WeakPolarHBondContact CA-O 3.39Å; V3292-Y3297 HydrophobicContact CB-CD1 4.39Å; V3292-Y3297 HydrophobicContact CG1-CD1 3.87Å; V3292-Y3297 HydrophobicContact CG1-CE1 3.94Å; V3292-Y3297 HydrophobicContact CG1-CG 4.26Å; V3292-Y3297 HydrophobicContact CG2-CD1 3.62Å; V3292-Y3297 HydrophobicContact CG2-CE1 4.15Å; V3292-Y3297 HydrophobicContact CG2-CG 4.37Å |
| 3293 | D | 79.9 | Confident | 77.3 | Confident | 82 Ų | 82 | 66.4 Ų | 66.4 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 100.6 | 166.7 | 177.2 | 36.9 | 0 | 0 | 0 | 109.6 | D3295 N3296 F3298 | D3293-D3295 PolarHBondContact O-N 2.79Å; D3293-D3295 VanDerWaalsContact O-N 3.12Å; D3293-N3296 PolarHBondContact N-O 3.48Å; D3293-N3296 WeakPolarHBondContact O-CB 3.44Å; D3293-N3296 PolarHBondContact O-N 3.45Å; D3293-N3296 PolarHBondContact O-ND2 3.24Å; D3293-F3298 HydrophobicContact CB-CE2 4.36Å |
| 3294 | R | 80.1 | Confident | 78.6 | Confident | 190 Ų | 190 | 64 Ų | 64 | 72% | 0.717 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | -106.4 | -178.8 | -50.8 | 169.9 | -153.6 | -161 | 1.9 | 112 | Q3272 | Q3272-R3294 PolarHBondContact NE2-O 3.04Š|
| 3295 | D | 80.6 | Confident | 79.9 | Confident | 59 Ų | 59 | 61.2 Ų | 61.2 | 32% | 0.316 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -13.4 | 179.9 | -43.7 | -23.6 | 0 | 0 | 0 | 111.8 | R3266 V3267 D3293 Y3297 | R3266-D3295 CarbonylContact C-O 3.54Å; R3266-D3295 WeakPolarHBondContact CA-O 3.44Å; R3266-D3295 HydrophobicContact CG-CB 3.64Å; R3266-D3295 IonicContact CZ-OD2 2.98Å; R3266-D3295 VanDerWaalsContact CZ-OD2 3.29Å; R3266-D3295 IonicContact NE-OD2 3.21Å; R3266-D3295 PolarHBondContact NE-OD2 2.81Å; R3266-D3295 IonicContact NH2-OD2 3.8Å; R3266-D3295 PolarHBondContact NH2-OD2 3.04Å; V3267-D3295 PolarHBondContact N-O 3.36Å; D3293-D3295 PolarHBondContact O-N 2.79Å; D3293-D3295 VanDerWaalsContact O-N 3.12Å; D3295-Y3297 VanDerWaalsContact O-CD2 3.3Å; D3295-Y3297 WeakPolarHBondContact O-CD2 3.2Å; D3295-Y3297 WeakPolarHBondContact O-CE2 3.29Å |
| 3296 | N | 87.6 | Confident | 80.7 | Confident | 38 Ų | 38 | 61.3 Ų | 61.3 | 20% | 0.203 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 127.8 | -175 | -51.2 | -54.3 | 0 | 0 | 0 | 109.8 | V3265 R3266 V3292 D3293 F3298 | V3265-N3296 CarbonylContact O-C 3.51Å; V3265-N3296 WeakPolarHBondContact O-CA 3.28Å; R3266-N3296 WeakPolarHBondContact CD-OD1 3.36Å; R3266-N3296 VanDerWaalsContact CG-OD1 3.27Å; R3266-N3296 WeakPolarHBondContact CG-OD1 3.37Å; V3292-N3296 WeakPolarHBondContact CA-O 3.39Å; D3293-N3296 PolarHBondContact N-O 3.48Å; D3293-N3296 WeakPolarHBondContact O-CB 3.44Å; D3293-N3296 PolarHBondContact O-N 3.45Å; D3293-N3296 PolarHBondContact O-ND2 3.24Å; N3296-F3298 HydrophobicContact CB-CD2 4.44Å; N3296-F3298 HydrophobicContact CB-CE2 3.58Å; N3296-F3298 HydrophobicContact CB-CZ 3.86Å |
| 3297 | Y | 89 | Confident | 81 | Confident | 15 Ų | 15 | 61 Ų | 61 | 6% | 0.059 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.2 | 177.4 | -57.5 | -112.9 | 0 | 0 | 0 | 107.8 | V3265 V3267 Q3272 P3273 V3275 V3292 D3295 | V3265-Y3297 PolarHBondContact N-O 3.37Å; V3265-Y3297 PolarHBondContact O-N 2.85Å; V3267-Y3297 HydrophobicContact CB-CD2 4.17Å; V3267-Y3297 HydrophobicContact CB-CE2 3.91Å; V3267-Y3297 HydrophobicContact CG2-CD2 4.34Å; Q3272-Y3297 WeakPolarHBondContact CG-OH 3.49Å; Q3272-Y3297 PolarHBondContact NE2-OH 3.05Å; P3273-Y3297 PolarHBondContact O-OH 3.08Å; V3275-Y3297 HydrophobicContact CB-CD1 3.47Å; V3275-Y3297 VanDerWaalsContact CB-CD1 3.47Å; V3275-Y3297 HydrophobicContact CB-CD2 4.45Å; V3275-Y3297 HydrophobicContact CB-CE1 3.75Å; V3275-Y3297 HydrophobicContact CB-CG 3.84Å; V3275-Y3297 HydrophobicContact CG1-CD1 4.15Å; V3275-Y3297 HydrophobicContact CG1-CG 4.09Å; V3275-Y3297 HydrophobicContact CG2-CD1 3.56Å; V3275-Y3297 HydrophobicContact CG2-CD2 3.79Å; V3275-Y3297 HydrophobicContact CG2-CE1 3.5Å; V3275-Y3297 HydrophobicContact CG2-CE2 3.79Å; V3275-Y3297 HydrophobicContact CG2-CG 3.68Å; V3292-Y3297 HydrophobicContact CB-CD1 4.39Å; V3292-Y3297 HydrophobicContact CG1-CD1 3.87Å; V3292-Y3297 HydrophobicContact CG1-CE1 3.94Å; V3292-Y3297 HydrophobicContact CG1-CG 4.26Å; V3292-Y3297 HydrophobicContact CG2-CD1 3.62Å; V3292-Y3297 HydrophobicContact CG2-CE1 4.15Å; V3292-Y3297 HydrophobicContact CG2-CG 4.37Å; D3295-Y3297 VanDerWaalsContact O-CD2 3.3Å; D3295-Y3297 WeakPolarHBondContact O-CD2 3.2Å; D3295-Y3297 WeakPolarHBondContact O-CE2 3.29Å |
| 3298 | F | 90.1 | Very high | 81.2 | Confident | 39 Ų | 39 | 58.8 Ų | 58.8 | 17% | 0.171 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 141.4 | -174 | -57.1 | -99 | 0 | 0 | 0 | 110 | Q3262 F3263 C3264 I3290 K3291 D3293 N3296 L3300 | Q3262-F3298 VanDerWaalsContact OE1-CD1 3.3Å; F3263-F3298 CarbonylContact O-C 3.54Å; F3263-F3298 WeakPolarHBondContact O-CA 3.32Å; C3264-F3298 HydrophobicContact CB-CD1 3.72Å; C3264-F3298 HydrophobicContact CB-CE1 3.77Å; C3264-F3298 WeakPolarHBondContact SG-CE1 3.3Å; I3290-F3298 VanDerWaalsContact CA-O 3.31Å; I3290-F3298 WeakPolarHBondContact CA-O 3.43Å; K3291-F3298 HydrophobicContact CB-CB 4.28Å; K3291-F3298 PolarHBondContact N-O 2.96Å; K3291-F3298 PolarHBondContact O-N 2.61Å; D3293-F3298 HydrophobicContact CB-CE2 4.36Å; N3296-F3298 HydrophobicContact CB-CD2 4.44Å; N3296-F3298 HydrophobicContact CB-CE2 3.58Å; N3296-F3298 HydrophobicContact CB-CZ 3.86Å; F3298-L3300 HydrophobicContact CB-CD1 4.02Å; F3298-L3300 HydrophobicContact CB-CG 4.46Å |
| 3299 | L | 88.6 | Confident | 81 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 105.7 | 159.5 | 172.5 | 64.7 | 0 | 0 | 0 | 106.9 | Q3262 F3263 W3277 H3288 I3290 Y3312 | Q3262-L3299 CarbonylContact C-O 3.59Å; Q3262-L3299 VanDerWaalsContact CA-O 3.28Å; Q3262-L3299 WeakPolarHBondContact CA-O 3.48Å; F3263-L3299 HydrophobicContact CB-CB 4.41Å; F3263-L3299 HydrophobicContact CD2-CD2 4.36Å; F3263-L3299 PolarHBondContact N-O 2.76Å; F3263-L3299 PolarHBondContact O-N 2.7Å; W3277-L3299 HydrophobicContact CB-CD2 4.13Å; W3277-L3299 HydrophobicContact CD2-CB 3.6Å; W3277-L3299 HydrophobicContact CD2-CD2 3.84Å; W3277-L3299 HydrophobicContact CD2-CG 4.3Å; W3277-L3299 HydrophobicContact CE3-CB 3.62Å; W3277-L3299 HydrophobicContact CE3-CD2 3.48Å; W3277-L3299 VanDerWaalsContact CE3-CD2 3.48Å; W3277-L3299 HydrophobicContact CE3-CG 4.21Å; W3277-L3299 HydrophobicContact CG-CB 4.24Å; W3277-L3299 HydrophobicContact CG-CD2 4.13Å; W3277-L3299 HydrophobicContact CH2-CB 3.8Å; W3277-L3299 HydrophobicContact CZ2-CB 3.8Å; W3277-L3299 HydrophobicContact CZ3-CB 3.69Å; W3277-L3299 HydrophobicContact CZ3-CD2 4.09Å; H3288-L3299 HydrophobicContact CB-CD1 4.32Å; I3290-L3299 HydrophobicContact CG1-CD1 3.85Å; L3299-Y3312 HydrophobicContact CD2-CD1 3.51Å; L3299-Y3312 HydrophobicContact CD2-CE1 3.59Å |
| 3300 | L | 87.7 | Confident | 81.2 | Confident | 45 Ų | 45 | 57.5 Ų | 57.5 | 24% | 0.236 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 145.5 | 175.9 | -56.2 | 106.5 | 0 | 0 | 0 | 109.8 | T3261 Q3262 H3288 S3289 K3291 F3298 | T3261-L3300 CarbonylContact O-C 3.54Å; T3261-L3300 WeakPolarHBondContact O-CA 3.42Å; Q3262-L3300 HydrophobicContact CB-CB 4.46Å; Q3262-L3300 HydrophobicContact CB-CD2 4.18Å; Q3262-L3300 HydrophobicContact CB-CG 3.98Å; H3288-L3300 CarbonylContact C-O 3.54Å; H3288-L3300 WeakPolarHBondContact CA-O 3.5Å; S3289-L3300 PolarHBondContact N-O 2.78Å; S3289-L3300 PolarHBondContact O-N 2.83Å; K3291-L3300 HydrophobicContact CB-CD1 3.66Å; K3291-L3300 HydrophobicContact CD-CD1 4.05Å; F3298-L3300 HydrophobicContact CB-CD1 4.02Å; F3298-L3300 HydrophobicContact CB-CG 4.46Å |
| 3301 | I | 87.1 | Confident | 81.2 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 111.8 | 176.7 | -48.6 | 177.8 | 0 | 0 | 0 | 106.3 | E3260 T3261 R3287 T3304 Y3312 L3329 | E3260-I3301 CarbonylContact C-O 3.48Å; E3260-I3301 WeakPolarHBondContact CA-O 3.18Å; T3261-I3301 HydrophobicContact CG2-CB 4.06Å; T3261-I3301 HydrophobicContact CG2-CD1 3.96Å; T3261-I3301 HydrophobicContact CG2-CG1 4.18Å; T3261-I3301 PolarHBondContact N-O 2.7Å; T3261-I3301 PolarHBondContact O-N 3.49Å; R3287-I3301 CarbonylContact O-C 3.59Å; R3287-I3301 VanDerWaalsContact O-CA 3.3Å; R3287-I3301 WeakPolarHBondContact O-CA 3.18Å; I3301-T3304 HydrophobicContact CG2-CG2 4.45Å; I3301-Y3312 HydrophobicContact CD1-CE1 4.28Å; I3301-L3329 HydrophobicContact CD1-CD2 3.52Å |
| 3302 | S | 78.3 | Confident | 81.6 | Confident | 60 Ų | 60 | 48.3 Ų | 48.3 | 42% | 0.42 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -79.4 | -24.6 | -163.4 | 54.2 | 0 | 0 | 0 | 0 | 116 | E3260 R3287 | E3260-S3302 VanDerWaalsContact CG-O 3.28Å; E3260-S3302 WeakPolarHBondContact CG-O 3.36Å; R3287-S3302 WeakPolarHBondContact CA-OG 3.46Å; R3287-S3302 PolarHBondContact O-N 2.74Å; R3287-S3302 PolarHBondContact O-OG 2.71Å |
| 3303 | D | 78.5 | Confident | 81.9 | Confident | 61 Ų | 61 | 45.8 Ų | 45.8 | 33% | 0.326 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -144.3 | 105.1 | 164.2 | -169.2 | 8 | 0 | 0 | 0 | 108.1 | K2584 G3259 R3287 C3305 | K2584-D3303 IonicContact NZ-OD2 3.48Å; K2584-D3303 PolarHBondContact NZ-OD2 2.66Å; G3259-D3303 PolarHBondContact N-OD1 3.11Å; R3287-D3303 PolarHBondContact NH1-O 2.87Å; D3303-C3305 PolarHBondContact O-N 2.81Å |
| 3304 | T | 75.3 | Confident | 82.4 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | trans | -81.2 | 116.7 | -168.4 | -45.5 | 0 | 0 | 0 | 0 | 111 | H3256 G3258 G3259 T3261 I3301 D3308 L3329 L3331 | H3256-T3304 PolarHBondContact CD2-OG1 3.32Å; G3258-T3304 WeakPolarHBondContact CA-O 3.4Å; G3259-T3304 WeakPolarHBondContact O-CB 3.45Å; G3259-T3304 PolarHBondContact O-N 2.81Å; G3259-T3304 PolarHBondContact O-OG1 2.66Å; T3261-T3304 WeakPolarHBondContact CB-OG1 3.33Å; T3261-T3304 HydrophobicContact CG2-CG2 4.26Å; T3261-T3304 WeakPolarHBondContact CG2-OG1 3.31Å; I3301-T3304 HydrophobicContact CG2-CG2 4.45Å; T3304-D3308 VanDerWaalsContact CA-OD2 3.29Å; T3304-D3308 WeakPolarHBondContact CA-OD2 3.29Å; T3304-D3308 HydrophobicContact CG2-CB 3.89Å; T3304-L3329 HydrophobicContact CG2-CD1 4.32Å; T3304-L3329 HydrophobicContact CG2-CD2 3.74Å; T3304-L3329 HydrophobicContact CG2-CG 4.34Å; T3304-L3331 HydrophobicContact CG2-CD1 4.34Å; T3304-L3331 HydrophobicContact CG2-CD2 3.61Å; T3304-L3331 HydrophobicContact CG2-CG 4.21Å | ||
| 3305 | C | 72.6 | Confident | 82.8 | Confident | 36 Ų | 36 | 32.9 Ų | 32.9 | 24% | 0.243 | 20% | 0.196 | C | C | . | . | trans | -118.8 | 167.4 | -174 | 90.1 | 0 | 0 | 0 | 0 | 112.5 | R3287 D3303 L3307 D3308 L3331 | R3287-C3305 PolarHBondContact NH1-SG 3.14Å; D3303-C3305 PolarHBondContact O-N 2.81Å; C3305-L3307 PolarHBondContact O-N 2.86Å; C3305-D3308 PolarHBondContact N-OD2 2.94Å; C3305-D3308 WeakPolarHBondContact O-CA 3.1Å; C3305-D3308 VanDerWaalsContact O-CB 3.25Å; C3305-D3308 WeakPolarHBondContact O-CB 3.23Å; C3305-D3308 PolarHBondContact O-N 2.94Å; C3305-L3331 WeakPolarHBondContact O-CD1 3.24Å | ||
| 3306 | P | 72.8 | Confident | 83.2 | Confident | 64 Ų | 64 | 30 Ų | 30 | 42% | 0.416 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -51 | -33.6 | -175.1 | -30.5 | 36.8 | 0 | 0 | 0 | 115.3 | D3308 A3309 L3337 | P3306-D3308 PolarHBondContact O-N 3.12Å; P3306-A3309 WeakPolarHBondContact O-CB 3.49Å; P3306-A3309 PolarHBondContact O-N 3.24Å; P3306-L3337 HydrophobicContact CB-CD1 3.9Å; P3306-L3337 HydrophobicContact CG-CD1 3.64Å; P3306-L3337 HydrophobicContact CG-CD2 3.58Å; P3306-L3337 HydrophobicContact CG-CG 4.25Å |
| 3307 | L | 72.4 | Confident | 83.1 | Confident | 117 Ų | 117 | 29 Ų | 29 | 61% | 0.613 | 17% | 0.174 | S | C | * | . | G | 310 helix | trans | -66.8 | -17.1 | 176.8 | -64.7 | 166.5 | 0 | 0 | 0 | 113.1 | K3279 C3305 | K3279-L3307 PolarHBondContact NZ-O 2.99Å; C3305-L3307 PolarHBondContact O-N 2.86Å |
| 3308 | D | 78.9 | Confident | 82.5 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -84.2 | -20.7 | 177 | -54.7 | -28.7 | 0 | 0 | 0 | 112.5 | K3279 R3287 H3288 T3304 C3305 P3306 Y3312 L3329 | K3279-D3308 PolarHBondContact NZ-O 3.05Å; R3287-D3308 IonicContact CZ-OD1 3.66Å; R3287-D3308 IonicContact CZ-OD2 2.64Å; R3287-D3308 IonicContact NH1-OD1 3.38Å; R3287-D3308 PolarHBondContact NH1-OD1 3.3Å; R3287-D3308 IonicContact NH1-OD2 2.75Å; R3287-D3308 PolarHBondContact NH1-OD2 2.81Å; R3287-D3308 IonicContact NH2-OD1 3.42Å; R3287-D3308 PolarHBondContact NH2-OD1 3.28Å; R3287-D3308 IonicContact NH2-OD2 3.76Å; H3288-D3308 IonicContact CE1-OD1 3.12Å; H3288-D3308 PolarHBondContact CE1-OD1 2.87Å; H3288-D3308 VanDerWaalsContact CE1-OD1 3.31Å; H3288-D3308 IonicContact NE2-OD1 2.76Å; T3304-D3308 VanDerWaalsContact CA-OD2 3.29Å; T3304-D3308 WeakPolarHBondContact CA-OD2 3.29Å; T3304-D3308 HydrophobicContact CG2-CB 3.89Å; C3305-D3308 PolarHBondContact N-OD2 2.94Å; C3305-D3308 WeakPolarHBondContact O-CA 3.1Å; C3305-D3308 VanDerWaalsContact O-CB 3.25Å; C3305-D3308 WeakPolarHBondContact O-CB 3.23Å; C3305-D3308 PolarHBondContact O-N 2.94Å; P3306-D3308 PolarHBondContact O-N 3.12Å; D3308-Y3312 VanDerWaalsContact O-CE2 3.25Å; D3308-Y3312 WeakPolarHBondContact O-CE2 3.4Å; D3308-Y3312 PolarHBondContact O-OH 2.8Å; D3308-L3329 HydrophobicContact CB-CD2 3.82Å |
| 3309 | A | 77.8 | Confident | 81.3 | Confident | 38 Ų | 38 | 31.8 Ų | 31.8 | 31% | 0.314 | 19% | 0.191 | S | C | . | . | trans | -58.7 | 147.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K3279 P3306 L3329 | K3279-A3309 WeakPolarHBondContact CE-O 3.23Å; K3279-A3309 PolarHBondContact NZ-O 2.69Å; P3306-A3309 WeakPolarHBondContact O-CB 3.49Å; P3306-A3309 PolarHBondContact O-N 3.24Å; A3309-L3329 CarbonylContact C-O 3.53Å; A3309-L3329 WeakPolarHBondContact CA-O 3.3Å | ||
| 3310 | G | 81.9 | Confident | 80.2 | Confident | 28 Ų | 28 | 32.4 Ų | 32.4 | 29% | 0.289 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 132.1 | 177.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y3312 N3328 L3329 | G3310-Y3312 WeakPolarHBondContact O-CD2 3.46Å; G3310-Y3312 PolarHBondContact O-N 2.96Å; G3310-N3328 WeakPolarHBondContact O-CA 3.13Å; G3310-L3329 PolarHBondContact N-O 3.2Å; G3310-L3329 PolarHBondContact O-N 3.45Å |
| 3311 | T | 84.7 | Confident | 79.5 | Confident | 50 Ų | 50 | 31.6 Ų | 31.6 | 31% | 0.307 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 116.5 | -179.8 | -47 | 0 | 0 | 0 | 0 | 111.5 | K3279 R3326 N3328 | K3279-T3311 WeakPolarHBondContact CA-O 3.13Å; T3311-R3326 HydrophobicContact CG2-CB 4.09Å; T3311-R3326 HydrophobicContact CG2-CG 4.43Å; T3311-N3328 WeakPolarHBondContact CB-OD1 3.42Å; T3311-N3328 PolarHBondContact OG1-OD1 3.07Å |
| 3312 | Y | 88.5 | Confident | 79.3 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 133.3 | 164.6 | -70.3 | -109.5 | 0 | 0 | 0 | 109.1 | F3263 F3278 K3279 L3283 H3288 L3299 I3301 D3308 G3310 R3326 A3327 L3329 | F3263-Y3312 HydrophobicContact CD2-CD1 4.32Å; F3263-Y3312 HydrophobicContact CD2-CG 4.28Å; F3263-Y3312 AromaticContact CE2-CD1 3.85Å; F3263-Y3312 HydrophobicContact CE2-CD1 3.85Å; F3263-Y3312 AromaticContact CE2-CD2 3.49Å; F3263-Y3312 HydrophobicContact CE2-CD2 3.49Å; F3263-Y3312 VanDerWaalsContact CE2-CD2 3.49Å; F3263-Y3312 HydrophobicContact CE2-CE1 4.17Å; F3263-Y3312 AromaticContact CE2-CE2 3.88Å; F3263-Y3312 HydrophobicContact CE2-CE2 3.88Å; F3263-Y3312 AromaticContact CE2-CG 3.49Å; F3263-Y3312 HydrophobicContact CE2-CG 3.49Å; F3263-Y3312 VanDerWaalsContact CE2-CG 3.49Å; F3263-Y3312 AromaticContact CZ-CD2 3.63Å; F3263-Y3312 HydrophobicContact CZ-CD2 3.63Å; F3263-Y3312 HydrophobicContact CZ-CE2 4.3Å; F3263-Y3312 AromaticContact CZ-CG 3.84Å; F3263-Y3312 HydrophobicContact CZ-CG 3.84Å; F3278-Y3312 CarbonylContact O-C 3.59Å; F3278-Y3312 VanDerWaalsContact O-CA 3.26Å; F3278-Y3312 WeakPolarHBondContact O-CA 3.43Å; K3279-Y3312 HydrophobicContact CD-CE1 4.38Å; K3279-Y3312 HydrophobicContact CD-CE2 3.93Å; L3283-Y3312 HydrophobicContact CD1-CD1 3.94Å; L3283-Y3312 HydrophobicContact CD1-CE1 3.4Å; H3288-Y3312 AromaticContact NE2-CE1 3.99Å; H3288-Y3312 AromaticContact NE2-CZ 3.91Å; H3288-Y3312 PolarHBondContact NE2-OH 2.82Å; L3299-Y3312 HydrophobicContact CD2-CD1 3.51Å; L3299-Y3312 HydrophobicContact CD2-CE1 3.59Å; I3301-Y3312 HydrophobicContact CD1-CE1 4.28Å; D3308-Y3312 VanDerWaalsContact O-CE2 3.25Å; D3308-Y3312 WeakPolarHBondContact O-CE2 3.4Å; D3308-Y3312 PolarHBondContact O-OH 2.8Å; G3310-Y3312 WeakPolarHBondContact O-CD2 3.46Å; G3310-Y3312 PolarHBondContact O-N 2.96Å; Y3312-R3326 WeakPolarHBondContact O-CA 3.16Å; Y3312-A3327 PolarHBondContact N-O 3Å; Y3312-A3327 PolarHBondContact O-N 3.08Å; Y3312-A3327 VanDerWaalsContact O-O 3.12Å; Y3312-L3329 HydrophobicContact CD2-CB 3.89Å; Y3312-L3329 HydrophobicContact CE2-CB 3.56Å; Y3312-L3329 HydrophobicContact CE2-CD2 3.8Å; Y3312-L3329 HydrophobicContact CE2-CG 4.36Å |
| 3313 | E | 88.3 | Confident | 79.6 | Confident | 24 Ų | 24 | 33.4 Ų | 33.4 | 11% | 0.112 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 119.5 | 171.4 | -177.9 | 174 | -125.8 | 0 | 0 | 109.5 | F3278 V3315 R3324 R3326 | F3278-E3313 HydrophobicContact CB-CB 4.37Å; F3278-E3313 PolarHBondContact N-O 2.89Å; F3278-E3313 PolarHBondContact O-N 2.92Å; E3313-V3315 HydrophobicContact CG-CG2 3.84Å; E3313-R3324 WeakPolarHBondContact OE1-CD 3.25Å; E3313-R3324 IonicContact OE1-NH1 3.36Å; E3313-R3324 PolarHBondContact OE1-NH1 2.91Å; E3313-R3324 IonicContact OE2-NH1 2.67Å; E3313-R3324 PolarHBondContact OE2-NH1 3.41Å; E3313-R3326 HydrophobicContact CB-CG 3.94Å; E3313-R3326 HydrophobicContact CG-CG 3.83Å; E3313-R3326 IonicContact OE1-CZ 3.72Å; E3313-R3326 IonicContact OE1-NE 2.99Å; E3313-R3326 PolarHBondContact OE1-NE 2.91Å; E3313-R3326 IonicContact OE1-NH2 2.69Å; E3313-R3326 PolarHBondContact OE1-NH2 2.88Å; E3313-R3326 IonicContact OE2-NH2 3.95Å |
| 3314 | C | 88.7 | Confident | 80.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 112.6 | 169.7 | 172.4 | 0 | 0 | 0 | 0 | 108.9 | F3247 L3251 V3265 V3275 L3276 W3277 C3325 | F3247-C3314 WeakPolarHBondContact CZ-O 3.4Å; L3251-C3314 HydrophobicContact CD1-CB 3.53Å; L3251-C3314 HydrophobicContact CD2-CB 3.92Å; L3251-C3314 HydrophobicContact CG-CB 3.69Å; V3265-C3314 HydrophobicContact CG1-CB 4.12Å; V3275-C3314 WeakPolarHBondContact CG1-SG 3.34Å; L3276-C3314 CarbonylContact O-C 3.59Å; L3276-C3314 VanDerWaalsContact O-CA 3.32Å; L3276-C3314 WeakPolarHBondContact O-CA 3.35Å; W3277-C3314 HydrophobicContact CE3-CB 4.31Å; W3277-C3314 HydrophobicContact CZ3-CB 4.32Å; C3314-C3325 PolarHBondContact N-O 3.42Å; C3314-C3325 PolarHBondContact O-N 2.81Å |
| 3315 | V | 89.4 | Confident | 80.7 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 116.3 | 175.2 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | V3275 L3276 F3278 E3313 E3322 R3324 | V3275-V3315 WeakPolarHBondContact CA-O 3.36Å; L3276-V3315 HydrophobicContact CB-CB 4.31Å; L3276-V3315 WeakPolarHBondContact CB-O 3.42Å; L3276-V3315 PolarHBondContact N-O 2.93Å; L3276-V3315 PolarHBondContact O-N 2.78Å; F3278-V3315 HydrophobicContact CD2-CG2 3.74Å; F3278-V3315 HydrophobicContact CE2-CB 3.99Å; F3278-V3315 HydrophobicContact CE2-CG2 3.54Å; E3313-V3315 HydrophobicContact CG-CG2 3.84Å; V3315-E3322 HydrophobicContact CG1-CG 3.47Å; V3315-E3322 VanDerWaalsContact CG1-CG 3.47Å; V3315-E3322 VanDerWaalsContact CG1-OE2 3.28Å; V3315-E3322 WeakPolarHBondContact CG1-OE2 3.41Å; V3315-R3324 HydrophobicContact CG1-CG 4.3Å; V3315-R3324 HydrophobicContact CG2-CG 4.21Å |
| 3316 | A | 88.7 | Confident | 81.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 120.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | P3245 F3247 V3267 P3273 T3274 V3275 E3322 A3323 | P3245-A3316 HydrophobicContact CB-CB 3.78Å; P3245-A3316 WeakPolarHBondContact CB-O 3.39Å; P3245-A3316 VanDerWaalsContact CG-O 3.25Å; P3245-A3316 WeakPolarHBondContact CG-O 3.47Å; F3247-A3316 HydrophobicContact CE1-CB 4.27Å; F3247-A3316 HydrophobicContact CE2-CB 4.36Å; F3247-A3316 HydrophobicContact CZ-CB 3.77Å; V3267-A3316 HydrophobicContact CG1-CB 3.82Å; V3267-A3316 HydrophobicContact CG2-CB 4.04Å; P3273-A3316 HydrophobicContact CB-CB 4.29Å; T3274-A3316 CarbonylContact O-C 3.55Å; T3274-A3316 WeakPolarHBondContact O-CA 3.36Å; V3275-A3316 HydrophobicContact CG2-CB 4.07Å; A3316-E3322 CarbonylContact O-C 3.47Å; A3316-E3322 WeakPolarHBondContact O-CA 3.14Å; A3316-A3323 PolarHBondContact N-O 3.36Å; A3316-A3323 PolarHBondContact O-N 2.89Å |
| 3317 | R | 85.1 | Confident | 82.1 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 6% | 0.057 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 145.6 | -178.2 | 66.7 | 166 | -162.4 | 170.6 | -2.2 | 113.1 | D2944 P3273 T3274 L3276 E3322 | D2944-R3317 VanDerWaalsContact O-CZ 3.26Å; D2944-R3317 PolarHBondContact O-NH1 2.85Å; D2944-R3317 PolarHBondContact O-NH2 2.9Å; P3273-R3317 CarbonylContact C-O 3.43Å; P3273-R3317 VanDerWaalsContact CA-O 3.23Å; P3273-R3317 WeakPolarHBondContact CA-O 3.46Å; P3273-R3317 WeakPolarHBondContact CB-O 3.38Å; T3274-R3317 PolarHBondContact N-O 3.24Å; T3274-R3317 PolarHBondContact O-N 2.87Å; L3276-R3317 HydrophobicContact CD1-CG 4.33Å; R3317-E3322 HydrophobicContact CB-CB 4.39Å; R3317-E3322 HydrophobicContact CB-CG 4.24Å |
| 3318 | N | 77.8 | Confident | 82.6 | Confident | 11 Ų | 11 | 36 Ų | 36 | 6% | 0.059 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 179.4 | 162.2 | 77.3 | 13.7 | 0 | 0 | 0 | 110.7 | F3243 P3245 K3270 P3271 P3273 H3320 G3321 | F3243-N3318 PolarHBondContact O-ND2 2.84Å; P3245-N3318 WeakPolarHBondContact CD-OD1 3.49Å; P3245-N3318 HydrophobicContact CG-CB 4.36Å; K3270-N3318 PolarHBondContact N-ND2 3.17Å; K3270-N3318 PolarHBondContact O-ND2 3.34Å; P3271-N3318 HydrophobicContact CG-CB 4.46Å; P3271-N3318 PolarHBondContact O-ND2 2.82Å; P3273-N3318 HydrophobicContact CB-CB 4.49Å; P3273-N3318 HydrophobicContact CG-CB 4.43Å; N3318-H3320 PolarHBondContact O-N 2.87Å; N3318-H3320 WeakPolarHBondContact OD1-CA 3.39Å; N3318-H3320 WeakPolarHBondContact OD1-CB 3.3Å; N3318-H3320 PolarHBondContact OD1-N 2.95Å; N3318-G3321 PolarHBondContact N-O 3.02Å; N3318-G3321 PolarHBondContact O-N 3.49Å; N3318-G3321 PolarHBondContact OD1-N 2.97Å |
| 3319 | I | 64.3 | Low | 82.9 | Confident | 103 Ų | 103 | 35.9 Ų | 35.9 | 53% | 0.528 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -8.6 | -177.2 | 68.2 | 178 | 0 | 0 | 0 | 115.4 | Y3210 P3271 | Y3210-I3319 HydrophobicContact CE1-CD1 4.38Å; P3271-I3319 HydrophobicContact CG-CD1 4.13Å; P3271-I3319 HydrophobicContact CG-CG1 4.06Å |
| 3320 | H | 65.3 | Low | 82.6 | Confident | 18 Ų | 18 | 35.2 Ų | 35.2 | 8% | 0.083 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -3.1 | 177.5 | -61.1 | -82.3 | 0 | 0 | 0 | 113.7 | R2956 F3243 K3270 N3318 | R2956-H3320 PolarHBondContact NH1-O 3.39Å; F3243-H3320 HydrophobicContact CB-CB 4.1Å; F3243-H3320 AromaticContact CD1-NE2 3.76Å; K3270-H3320 PolarHBondContact O-CD2 3.05Å; K3270-H3320 PolarHBondContact O-NE2 2.7Å; N3318-H3320 PolarHBondContact O-N 2.87Å; N3318-H3320 WeakPolarHBondContact OD1-CA 3.39Å; N3318-H3320 WeakPolarHBondContact OD1-CB 3.3Å; N3318-H3320 PolarHBondContact OD1-N 2.95Å |
| 3321 | G | 72.4 | Confident | 82.1 | Confident | 28 Ų | 28 | 35.7 Ų | 35.7 | 29% | 0.289 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 152.8 | -178.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P3245 N3318 | P3245-G3321 WeakPolarHBondContact CD-O 3.48Å; P3245-G3321 VanDerWaalsContact CG-O 3.32Å; P3245-G3321 WeakPolarHBondContact CG-O 3.27Å; N3318-G3321 PolarHBondContact N-O 3.02Å; N3318-G3321 PolarHBondContact O-N 3.49Å; N3318-G3321 PolarHBondContact OD1-N 2.97Å |
| 3322 | E | 82.7 | Confident | 80.8 | Confident | 80 Ų | 80 | 33.9 Ų | 33.9 | 37% | 0.374 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 138.3 | 175 | -175.6 | 178.6 | 91.9 | 0 | 0 | 109 | V3315 A3316 R3317 R3324 | V3315-E3322 HydrophobicContact CG1-CG 3.47Å; V3315-E3322 VanDerWaalsContact CG1-CG 3.47Å; V3315-E3322 VanDerWaalsContact CG1-OE2 3.28Å; V3315-E3322 WeakPolarHBondContact CG1-OE2 3.41Å; A3316-E3322 CarbonylContact O-C 3.47Å; A3316-E3322 WeakPolarHBondContact O-CA 3.14Å; R3317-E3322 HydrophobicContact CB-CB 4.39Å; R3317-E3322 HydrophobicContact CB-CG 4.24Å; E3322-R3324 HydrophobicContact CG-CG 4.46Å; E3322-R3324 IonicContact OE1-CZ 2.65Å; E3322-R3324 IonicContact OE1-NE 3.9Å; E3322-R3324 PolarHBondContact OE1-NE 2.88Å; E3322-R3324 IonicContact OE1-NH2 3.15Å; E3322-R3324 PolarHBondContact OE1-NH2 2.9Å; E3322-R3324 IonicContact OE2-NH2 2.72Å |
| 3323 | A | 84.7 | Confident | 78.9 | Confident | 19 Ų | 19 | 36.4 Ų | 36.4 | 16% | 0.157 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 137.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | P3245 F3247 A3316 | P3245-A3323 HydrophobicContact CB-CB 3.97Å; P3245-A3323 WeakPolarHBondContact O-CB 3.26Å; F3247-A3323 HydrophobicContact CD2-CB 3.98Å; F3247-A3323 HydrophobicContact CE2-CB 3.67Å; A3316-A3323 PolarHBondContact N-O 3.36Å; A3316-A3323 PolarHBondContact O-N 2.89Å |
| 3324 | R | 91 | Very high | 76.5 | Confident | 128 Ų | 128 | 40 Ų | 40 | 48% | 0.483 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 134 | 175 | -61.8 | -179.3 | 170.2 | -102.4 | -13.9 | 108.8 | E3313 V3315 E3322 | E3313-R3324 WeakPolarHBondContact OE1-CD 3.25Å; E3313-R3324 IonicContact OE1-NH1 3.36Å; E3313-R3324 PolarHBondContact OE1-NH1 2.91Å; E3313-R3324 IonicContact OE2-NH1 2.67Å; E3313-R3324 PolarHBondContact OE2-NH1 3.41Å; V3315-R3324 HydrophobicContact CG1-CG 4.3Å; V3315-R3324 HydrophobicContact CG2-CG 4.21Å; E3322-R3324 HydrophobicContact CG-CG 4.46Å; E3322-R3324 IonicContact OE1-CZ 2.65Å; E3322-R3324 IonicContact OE1-NE 3.9Å; E3322-R3324 PolarHBondContact OE1-NE 2.88Å; E3322-R3324 IonicContact OE1-NH2 3.15Å; E3322-R3324 PolarHBondContact OE1-NH2 2.9Å; E3322-R3324 IonicContact OE2-NH2 2.72Å |
| 3325 | C | 85.9 | Confident | 74.1 | Confident | 26 Ų | 26 | 48.2 Ų | 48.2 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 146.1 | 162.7 | -159.7 | 0 | 0 | 0 | 0 | 108 | F3247 L3251 C3314 | F3247-C3325 HydrophobicContact CD1-CB 4.21Å; F3247-C3325 HydrophobicContact CD2-CB 3.82Å; F3247-C3325 HydrophobicContact CE1-CB 4.03Å; F3247-C3325 HydrophobicContact CE2-CB 3.61Å; F3247-C3325 HydrophobicContact CG-CB 4.12Å; F3247-C3325 HydrophobicContact CZ-CB 3.74Å; L3251-C3325 HydrophobicContact CB-CB 4.45Å; L3251-C3325 HydrophobicContact CG-CB 4.26Å; L3251-C3325 PolarHBondContact N-SG 2.91Å; C3314-C3325 PolarHBondContact N-O 3.42Å; C3314-C3325 PolarHBondContact O-N 2.81Å |
| 3326 | R | 90.6 | Very high | 71.8 | Confident | 159 Ų | 159 | 52.4 Ų | 52.4 | 60% | 0.6 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 144.2 | 176.2 | -68.3 | -178.6 | -177.5 | -171.1 | -4 | 108.3 | T3311 Y3312 E3313 | T3311-R3326 HydrophobicContact CG2-CB 4.09Å; T3311-R3326 HydrophobicContact CG2-CG 4.43Å; Y3312-R3326 WeakPolarHBondContact O-CA 3.16Å; E3313-R3326 HydrophobicContact CB-CG 3.94Å; E3313-R3326 HydrophobicContact CG-CG 3.83Å; E3313-R3326 IonicContact OE1-CZ 3.72Å; E3313-R3326 IonicContact OE1-NE 2.99Å; E3313-R3326 PolarHBondContact OE1-NE 2.91Å; E3313-R3326 IonicContact OE1-NH2 2.69Å; E3313-R3326 PolarHBondContact OE1-NH2 2.88Å; E3313-R3326 IonicContact OE2-NH2 3.95Å |
| 3327 | A | 85.3 | Confident | 69.7 | Low | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 148.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L3251 L3252 D3253 F3263 Y3312 | L3251-A3327 HydrophobicContact CB-CB 3.36Å; L3251-A3327 HydrophobicContact CD1-CB 4.01Å; L3251-A3327 HydrophobicContact CG-CB 4.28Å; L3252-A3327 WeakPolarHBondContact O-CB 3.48Å; D3253-A3327 WeakPolarHBondContact OD1-CA 3.28Å; D3253-A3327 WeakPolarHBondContact OD1-CB 3.31Å; F3263-A3327 HydrophobicContact CD1-CB 4.36Å; F3263-A3327 HydrophobicContact CE1-CB 3.75Å; Y3312-A3327 PolarHBondContact N-O 3Å; Y3312-A3327 PolarHBondContact O-N 3.08Å; Y3312-A3327 VanDerWaalsContact O-O 3.12Å |
| 3328 | N | 83.5 | Confident | 68.5 | Low | 25 Ų | 25 | 62.8 Ų | 62.8 | 13% | 0.134 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 130 | 175.2 | -46.5 | -72.2 | 0 | 0 | 0 | 109.5 | D3253 I3254 G3310 T3311 | D3253-N3328 VanDerWaalsContact CG-N 3.3Å; D3253-N3328 PolarHBondContact OD1-N 3.22Å; D3253-N3328 WeakPolarHBondContact OD2-CB 3.48Å; D3253-N3328 PolarHBondContact OD2-N 2.53Å; D3253-N3328 PolarHBondContact OD2-ND2 2.76Å; I3254-N3328 PolarHBondContact N-O 3.33Å; I3254-N3328 VanDerWaalsContact N-O 3.1Å; G3310-N3328 WeakPolarHBondContact O-CA 3.13Å; T3311-N3328 WeakPolarHBondContact CB-OD1 3.42Å; T3311-N3328 PolarHBondContact OG1-OD1 3.07Å |
| 3329 | L | 84.4 | Confident | 68.1 | Low | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 127.8 | 154.7 | -175.4 | 49.7 | 0 | 0 | 0 | 107 | I3254 H3256 T3261 F3263 I3301 T3304 D3308 A3309 G3310 Y3312 | I3254-L3329 HydrophobicContact CB-CD1 3.73Å; I3254-L3329 HydrophobicContact CG2-CD1 3.47Å; I3254-L3329 VanDerWaalsContact CG2-CD1 3.47Å; H3256-L3329 HydrophobicContact CB-CD1 4.36Å; T3261-L3329 HydrophobicContact CG2-CD1 4.19Å; T3261-L3329 HydrophobicContact CG2-CD2 4.36Å; F3263-L3329 HydrophobicContact CE2-CB 4.14Å; F3263-L3329 HydrophobicContact CE2-CD2 4.4Å; F3263-L3329 HydrophobicContact CZ-CB 3.82Å; I3301-L3329 HydrophobicContact CD1-CD2 3.52Å; T3304-L3329 HydrophobicContact CG2-CD1 4.32Å; T3304-L3329 HydrophobicContact CG2-CD2 3.74Å; T3304-L3329 HydrophobicContact CG2-CG 4.34Å; D3308-L3329 HydrophobicContact CB-CD2 3.82Å; A3309-L3329 CarbonylContact C-O 3.53Å; A3309-L3329 WeakPolarHBondContact CA-O 3.3Å; G3310-L3329 PolarHBondContact N-O 3.2Å; G3310-L3329 PolarHBondContact O-N 3.45Å; Y3312-L3329 HydrophobicContact CD2-CB 3.89Å; Y3312-L3329 HydrophobicContact CE2-CB 3.56Å; Y3312-L3329 HydrophobicContact CE2-CD2 3.8Å; Y3312-L3329 HydrophobicContact CE2-CG 4.36Å |
| 3330 | T | 72.4 | Confident | 68.8 | Low | 25 Ų | 25 | 63 Ų | 63 | 15% | 0.153 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 150.3 | 161 | 55.6 | 0 | 0 | 0 | 0 | 108.5 | I3254 Q3255 H3256 | I3254-T3330 PolarHBondContact O-N 2.83Å; Q3255-T3330 WeakPolarHBondContact CA-O 3.4Å; Q3255-T3330 WeakPolarHBondContact CG-OG1 3.46Å; H3256-T3330 PolarHBondContact N-O 3.24Å; H3256-T3330 VanDerWaalsContact N-O 3.17Å |
| 3331 | L | 70.9 | Confident | 69.6 | Low | 37 Ų | 37 | 63.2 Ų | 63.2 | 19% | 0.194 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 110.8 | 177.7 | -80.2 | 174.5 | 0 | 0 | 0 | 110.3 | H3256 T3304 C3305 G3333 | H3256-L3331 HydrophobicContact CB-CD2 4.26Å; H3256-L3331 CarbonylContact O-C 3.54Å; H3256-L3331 VanDerWaalsContact O-CA 3.23Å; H3256-L3331 WeakPolarHBondContact O-CA 3.46Å; H3256-L3331 WeakPolarHBondContact O-CD2 3.34Å; T3304-L3331 HydrophobicContact CG2-CD1 4.34Å; T3304-L3331 HydrophobicContact CG2-CD2 3.61Å; T3304-L3331 HydrophobicContact CG2-CG 4.21Å; C3305-L3331 WeakPolarHBondContact O-CD1 3.24Å; L3331-G3333 VanDerWaalsContact C-N 3.31Å; L3331-G3333 PolarHBondContact O-N 2.78Å; L3331-G3333 VanDerWaalsContact O-N 3.15Å |
| 3332 | S | 56.1 | Low | 70.5 | Confident | 13 Ų | 13 | 62.2 Ų | 62.2 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | trans | -87.3 | 70.7 | 179.4 | 60.9 | 0 | 0 | 0 | 0 | 110.5 | H3256 | H3256-S3332 PolarHBondContact O-N 2.89Å; H3256-S3332 PolarHBondContact O-OG 3.1Å | ||
| 3333 | G | 50.1 | Low | 70.7 | Confident | 52 Ų | 52 | 62.7 Ų | 62.7 | 54% | 0.536 | 32% | 0.323 | S | S | . | . | trans | -145.1 | 110.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L3331 | L3331-G3333 VanDerWaalsContact C-N 3.31Å; L3331-G3333 PolarHBondContact O-N 2.78Å; L3331-G3333 VanDerWaalsContact O-N 3.15Å | ||
| 3334 | K | 38.1 | Very low | 71 | Confident | 100 Ų | 100 | 62.8 Ų | 62.8 | 44% | 0.435 | 32% | 0.319 | S | S | . | . | trans | -103.6 | 42.1 | -175.2 | -158.1 | -158.5 | -172.6 | 177.9 | 0 | 113.3 | ||||
| 3335 | E | 38.3 | Very low | 70.8 | Confident | 172 Ų | 172 | 60.9 Ų | 60.9 | 80% | 0.804 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -67.1 | 151.9 | 145.7 | -65.4 | -174.6 | 148.6 | 0 | 0 | 107.5 | ||
| 3336 | P | 39.5 | Very low | 71 | Confident | 90 Ų | 90 | 63.2 Ų | 63.2 | 58% | 0.584 | 33% | 0.33 | S | S | * | . | trans | -56.1 | 146.6 | 156.9 | -10.5 | 25.7 | 0 | 0 | 0 | 107.3 | E3338 | P3336-E3338 HydrophobicContact CB-CG 4.35Å; P3336-E3338 PolarHBondContact O-N 2.97Å | ||
| 3337 | L | 45.3 | Very low | 71 | Confident | 88 Ų | 88 | 62 Ų | 62 | 46% | 0.461 | 33% | 0.329 | S | S | . | . | trans | -68.2 | 84.9 | 152.6 | -72.9 | 174.6 | 0 | 0 | 0 | 107.2 | P3306 K3339 F3340 | P3306-L3337 HydrophobicContact CB-CD1 3.9Å; P3306-L3337 HydrophobicContact CG-CD1 3.64Å; P3306-L3337 HydrophobicContact CG-CD2 3.58Å; P3306-L3337 HydrophobicContact CG-CG 4.25Å; L3337-K3339 WeakPolarHBondContact CB-O 3.38Å; L3337-K3339 PolarHBondContact O-N 2.87Å; L3337-F3340 HydrophobicContact CB-CB 4.14Å; L3337-F3340 HydrophobicContact CB-CD1 4.32Å; L3337-F3340 HydrophobicContact CD1-CB 4.17Å | ||
| 3338 | E | 59.3 | Low | 71.3 | Confident | 145 Ų | 145 | 63 Ų | 63 | 68% | 0.678 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -54.7 | -25.3 | 165.4 | -60.4 | -159.4 | 143.8 | 0 | 0 | 110.1 | P3336 R3368 | P3336-E3338 HydrophobicContact CB-CG 4.35Å; P3336-E3338 PolarHBondContact O-N 2.97Å; E3338-R3368 WeakPolarHBondContact O-CB 3.29Å |
| 3339 | K | 70.4 | Confident | 71.4 | Confident | 66 Ų | 66 | 65.5 Ų | 65.5 | 29% | 0.287 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -133.9 | 125.2 | 178.4 | -41.5 | 178 | 170.8 | -139 | 0 | 109.4 | E2582 L3337 R3368 E3418 V3419 | E2582-K3339 IonicContact OE1-NZ 2.73Å; E2582-K3339 PolarHBondContact OE1-NZ 2.86Å; E2582-K3339 IonicContact OE2-NZ 3.31Å; E2582-K3339 PolarHBondContact OE2-NZ 2.9Å; L3337-K3339 WeakPolarHBondContact CB-O 3.38Å; L3337-K3339 PolarHBondContact O-N 2.87Å; K3339-R3368 CarbonylContact C-O 3.37Å; K3339-R3368 WeakPolarHBondContact CA-O 3.43Å; K3339-E3418 HydrophobicContact CD-CG 4.09Å; K3339-E3418 WeakPolarHBondContact CD-OE1 3.5Å; K3339-E3418 WeakPolarHBondContact CE-OE1 3.48Å; K3339-E3418 WeakPolarHBondContact CG-OE1 3.4Å; K3339-E3418 IonicContact NZ-OE1 2.67Å; K3339-E3418 PolarHBondContact NZ-OE1 3.39Å; K3339-E3418 IonicContact NZ-OE2 2.68Å; K3339-E3418 PolarHBondContact NZ-OE2 2.87Å; K3339-V3419 HydrophobicContact CB-CG2 3.33Å |
| 3340 | F | 78.9 | Confident | 71.6 | Confident | 53 Ų | 53 | 70.6 Ų | 70.6 | 23% | 0.232 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 145.9 | 170.1 | 65.4 | -102.7 | 0 | 0 | 0 | 111.4 | L3337 D3366 R3368 N3417 | L3337-F3340 HydrophobicContact CB-CB 4.14Å; L3337-F3340 HydrophobicContact CB-CD1 4.32Å; L3337-F3340 HydrophobicContact CD1-CB 4.17Å; F3340-D3366 HydrophobicContact CE2-CB 4.37Å; F3340-D3366 WeakPolarHBondContact CZ-OD1 3.42Å; F3340-R3368 HydrophobicContact CD1-CB 3.77Å; F3340-R3368 HydrophobicContact CD1-CG 4.03Å; F3340-R3368 HydrophobicContact CE1-CB 3.74Å; F3340-R3368 HydrophobicContact CE1-CG 3.46Å; F3340-R3368 VanDerWaalsContact CE1-CG 3.46Å; F3340-R3368 HydrophobicContact CG-CB 4.44Å; F3340-R3368 HydrophobicContact CZ-CB 4.38Å; F3340-R3368 HydrophobicContact CZ-CG 3.99Å; F3340-R3368 PolarHBondContact N-O 2.89Å; F3340-R3368 PolarHBondContact O-N 2.92Å; F3340-N3417 PolarHBondContact O-ND2 2.74Å |
| 3341 | A | 82.5 | Confident | 72.4 | Confident | 22 Ų | 22 | 72.2 Ų | 72.2 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 154.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V3419 | A3341-V3419 HydrophobicContact CB-CB 4.27Å; A3341-V3419 HydrophobicContact CB-CG1 4.18Å |
| 3342 | P | 90 | Very high | 72.9 | Confident | 7 Ų | 7 | 73.1 Ų | 73.1 | 5% | 0.045 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 139 | -171.6 | -15.2 | 31 | 0 | 0 | 0 | 113 | V3365 D3366 S3371 A3415 N3417 G3420 A3422 | P3342-V3365 HydrophobicContact CB-CG1 3.59Å; P3342-D3366 CarbonylContact C-O 3.58Å; P3342-S3371 WeakPolarHBondContact CB-OG 3.4Å; P3342-S3371 VanDerWaalsContact CG-OG 3.27Å; P3342-S3371 WeakPolarHBondContact CG-OG 3.28Å; P3342-A3415 HydrophobicContact CB-CB 3.73Å; P3342-A3415 HydrophobicContact CG-CB 4.39Å; P3342-N3417 HydrophobicContact CG-CB 4.24Å; P3342-G3420 VanDerWaalsContact CD-C 3.49Å; P3342-G3420 WeakPolarHBondContact CD-O 3.34Å; P3342-G3420 WeakPolarHBondContact CG-O 3.36Å; P3342-A3422 HydrophobicContact CB-CB 4.39Å; P3342-A3422 VanDerWaalsContact O-CB 3.25Å; P3342-A3422 WeakPolarHBondContact O-CB 3.35Å |
| 3343 | V | 87.9 | Confident | 74.3 | Confident | 90 Ų | 90 | 73.2 Ų | 73.2 | 55% | 0.545 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 119.2 | 179 | -177.4 | 0 | 0 | 0 | 0 | 111.6 | V3345 V3365 D3366 | V3343-V3345 PolarHBondContact O-N 2.93Å; V3343-V3345 VanDerWaalsContact O-N 3.14Å; V3343-V3365 CarbonylContact O-C 3.55Å; V3343-V3365 VanDerWaalsContact O-CA 3.28Å; V3343-V3365 WeakPolarHBondContact O-CA 3.42Å; V3343-D3366 PolarHBondContact N-O 2.91Å; V3343-D3366 PolarHBondContact O-N 2.83Å |
| 3344 | F | 90.6 | Very high | 75.5 | Confident | 20 Ų | 20 | 75.5 Ų | 75.5 | 9% | 0.088 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 111.5 | 177.2 | -67.9 | -88.1 | 0 | 0 | 0 | 112.4 | K3347 V3363 K3364 V3365 V3413 A3415 A3422 D3424 | F3344-K3347 HydrophobicContact CB-CG 3.81Å; F3344-V3363 HydrophobicContact CD1-CB 3.93Å; F3344-V3363 HydrophobicContact CD1-CG1 3.94Å; F3344-V3363 HydrophobicContact CD1-CG2 4.47Å; F3344-V3363 HydrophobicContact CE1-CB 4.01Å; F3344-V3363 HydrophobicContact CE1-CG1 4.01Å; F3344-V3363 HydrophobicContact CE1-CG2 4.07Å; F3344-K3364 CarbonylContact C-O 3.55Å; F3344-V3365 HydrophobicContact CD1-CG2 3.57Å; F3344-V3365 HydrophobicContact CE1-CG2 3.57Å; F3344-V3365 HydrophobicContact CG-CG2 4.2Å; F3344-V3365 HydrophobicContact CZ-CG2 4.24Å; F3344-V3413 HydrophobicContact CE1-CG1 3.57Å; F3344-V3413 HydrophobicContact CE1-CG2 4.36Å; F3344-V3413 HydrophobicContact CZ-CG1 3.84Å; F3344-V3413 HydrophobicContact CZ-CG2 4.48Å; F3344-A3415 HydrophobicContact CE2-CB 4.2Å; F3344-A3415 HydrophobicContact CZ-CB 3.84Å; F3344-A3422 HydrophobicContact CD2-CB 3.94Å; F3344-A3422 HydrophobicContact CE2-CB 3.65Å; F3344-D3424 HydrophobicContact CD1-CB 3.99Å; F3344-D3424 HydrophobicContact CD2-CB 3.81Å; F3344-D3424 HydrophobicContact CE1-CB 4Å; F3344-D3424 HydrophobicContact CE2-CB 3.8Å; F3344-D3424 HydrophobicContact CG-CB 3.92Å; F3344-D3424 HydrophobicContact CZ-CB 3.9Å |
| 3345 | V | 86.1 | Confident | 77 | Confident | 89 Ų | 89 | 72.7 Ų | 72.7 | 54% | 0.539 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -33.4 | 176.8 | -150.2 | 0 | 0 | 0 | 0 | 111.7 | V3343 K3364 D3366 | V3343-V3345 PolarHBondContact O-N 2.93Å; V3343-V3345 VanDerWaalsContact O-N 3.14Å; V3345-K3364 PolarHBondContact N-O 2.8Å; V3345-D3366 HydrophobicContact CG2-CB 3.68Å |
| 3346 | E | 91.1 | Very high | 78.7 | Confident | 75 Ų | 75 | 70.8 Ų | 70.8 | 35% | 0.35 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 119.6 | 166 | -68.9 | 176.9 | -159 | 0 | 0 | 106.9 | V3363 K3364 | E3346-V3363 WeakPolarHBondContact O-CA 3.17Å; E3346-V3363 WeakPolarHBondContact O-CB 3.26Å; E3346-K3364 HydrophobicContact CB-CB 4.01Å; E3346-K3364 HydrophobicContact CB-CG 4.22Å; E3346-K3364 HydrophobicContact CG-CB 4.27Å; E3346-K3364 HydrophobicContact CG-CG 4.33Å; E3346-K3364 PolarHBondContact N-O 2.99Å; E3346-K3364 VanDerWaalsContact N-O 3.08Å; E3346-K3364 PolarHBondContact O-N 2.91Å; E3346-K3364 VanDerWaalsContact O-N 3.16Å; E3346-K3364 IonicContact OE1-NZ 2.86Å; E3346-K3364 PolarHBondContact OE1-NZ 3.07Å; E3346-K3364 IonicContact OE2-NZ 3.16Å; E3346-K3364 PolarHBondContact OE2-NZ 3.19Å |
| 3347 | K | 89.9 | Confident | 80.7 | Confident | 132 Ų | 132 | 70.9 Ų | 70.9 | 57% | 0.574 | 38% | 0.375 | S | S | * | . | trans | -101.8 | 161.5 | -172.6 | -75 | -174.8 | 162.7 | -108 | 0 | 111.7 | F3344 D3424 | F3344-K3347 HydrophobicContact CB-CG 3.81Å; K3347-D3424 WeakPolarHBondContact CA-OD2 3.4Å; K3347-D3424 VanDerWaalsContact CB-OD2 3.28Å; K3347-D3424 WeakPolarHBondContact CB-OD2 3.23Å; K3347-D3424 IonicContact NZ-OD1 2.84Å; K3347-D3424 PolarHBondContact NZ-OD1 2.81Å | ||
| 3348 | L | 93.2 | Very high | 82.6 | Confident | 21 Ų | 21 | 71.4 Ų | 71.4 | 11% | 0.11 | 38% | 0.383 | C | S | . | . | trans | -68.2 | 149.6 | 171.5 | -63.2 | -177.1 | 0 | 0 | 0 | 111.7 | M3361 V3363 W3375 V3413 D3424 A3426 | L3348-M3361 HydrophobicContact CB-CE 4.34Å; L3348-M3361 HydrophobicContact CD1-CE 4.07Å; L3348-M3361 HydrophobicContact CD2-CB 4.16Å; L3348-M3361 HydrophobicContact CD2-CE 3.83Å; L3348-M3361 HydrophobicContact CG-CE 4.31Å; L3348-V3363 HydrophobicContact CD2-CG1 3.6Å; L3348-V3363 HydrophobicContact CG-CG1 3.77Å; L3348-W3375 HydrophobicContact CD1-CZ3 4.16Å; L3348-W3375 HydrophobicContact CD2-CH2 3.94Å; L3348-W3375 HydrophobicContact CD2-CZ3 4.03Å; L3348-V3413 HydrophobicContact CD1-CG1 3.92Å; L3348-V3413 HydrophobicContact CG-CG1 4.32Å; L3348-D3424 PolarHBondContact N-OD2 3.18Å; L3348-A3426 HydrophobicContact CB-CB 3.7Å | ||
| 3349 | S | 85.5 | Confident | 84 | Confident | 79 Ų | 79 | 64.5 Ų | 64.5 | 55% | 0.552 | 35% | 0.351 | S | S | * | . | trans | -132.9 | 143.9 | 175 | 59.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 3350 | P | 88.5 | Confident | 85 | Confident | 106 Ų | 106 | 66.3 Ų | 66.3 | 69% | 0.688 | 36% | 0.361 | S | S | * | . | trans | -57.4 | 146.9 | 174.4 | -24.4 | 34.5 | 0 | 0 | 0 | 112.8 | I3427 | P3350-I3427 VanDerWaalsContact CA-O 3.31Å; P3350-I3427 WeakPolarHBondContact CA-O 3.33Å | ||
| 3351 | L | 87.8 | Confident | 85.7 | Confident | 60 Ų | 60 | 64.4 Ų | 64.4 | 31% | 0.314 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 141.4 | -173 | -173.6 | 70.7 | 0 | 0 | 0 | 111.2 | V3353 V3359 I3427 V3428 S3429 | L3351-V3353 HydrophobicContact CD2-CG1 3.94Å; L3351-V3353 HydrophobicContact CG-CG1 4.13Å; L3351-V3359 HydrophobicContact CD2-CG1 4.06Å; L3351-I3427 PolarHBondContact N-O 2.81Å; L3351-V3428 CarbonylContact O-C 3.57Å; L3351-V3428 VanDerWaalsContact O-CA 3.3Å; L3351-V3428 WeakPolarHBondContact O-CA 3.24Å; L3351-S3429 PolarHBondContact O-N 3.39Å; L3351-S3429 PolarHBondContact O-OG 2.82Å |
| 3352 | S | 82.9 | Confident | 86.2 | Confident | 55 Ų | 55 | 64.9 Ų | 64.9 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 140.7 | 165.6 | -152.4 | 0 | 0 | 0 | 0 | 110.1 | S3429 D3431 | S3352-S3429 WeakPolarHBondContact CA-O 3.45Å; S3352-S3429 VanDerWaalsContact CB-OG 3.29Å; S3352-S3429 WeakPolarHBondContact CB-OG 3.31Å; S3352-S3429 PolarHBondContact OG-O 2.74Å; S3352-S3429 PolarHBondContact OG-OG 2.76Å; S3352-D3431 PolarHBondContact OG-OD2 2.81Å |
| 3353 | V | 83.9 | Confident | 86.4 | Confident | 16 Ų | 16 | 64.7 Ų | 64.7 | 10% | 0.097 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 161.2 | -174.7 | -75.4 | 0 | 0 | 0 | 0 | 111 | L3351 E3357 V3359 V3428 S3429 F3430 D3431 | L3351-V3353 HydrophobicContact CD2-CG1 3.94Å; L3351-V3353 HydrophobicContact CG-CG1 4.13Å; V3353-E3357 HydrophobicContact CB-CB 4.41Å; V3353-V3359 HydrophobicContact CG1-CG2 4.47Å; V3353-V3359 HydrophobicContact CG2-CG2 3.99Å; V3353-V3428 HydrophobicContact CG2-CG1 4.04Å; V3353-S3429 WeakPolarHBondContact CG2-O 3.49Å; V3353-S3429 PolarHBondContact N-O 3.37Å; V3353-F3430 HydrophobicContact CG2-CD1 3.62Å; V3353-F3430 HydrophobicContact CG2-CE1 3.46Å; V3353-F3430 VanDerWaalsContact CG2-CE1 3.46Å; V3353-F3430 HydrophobicContact CG2-CG 4.31Å; V3353-F3430 HydrophobicContact CG2-CZ 4.01Å; V3353-F3430 VanDerWaalsContact O-CA 3.32Å; V3353-F3430 WeakPolarHBondContact O-CA 3.19Å; V3353-D3431 PolarHBondContact O-N 2.83Å; V3353-D3431 VanDerWaalsContact O-N 3.14Å |
| 3354 | Q | 76 | Confident | 86.7 | Confident | 99 Ų | 99 | 64.7 Ų | 64.7 | 46% | 0.463 | 35% | 0.351 | S | S | . | . | trans | -77.5 | 150.9 | 167.2 | -57.6 | -65.9 | -69.4 | 0 | 0 | 110.7 | K3356 E3357 | Q3354-K3356 PolarHBondContact O-N 2.85Å; Q3354-E3357 HydrophobicContact CB-CG 3.94Å; Q3354-E3357 WeakPolarHBondContact CB-OE2 3.31Å; Q3354-E3357 PolarHBondContact N-OE2 2.97Å; Q3354-E3357 WeakPolarHBondContact O-CB 3.15Å; Q3354-E3357 PolarHBondContact O-N 2.9Å | ||
| 3355 | P | 69.7 | Low | 86.7 | Confident | 42 Ų | 42 | 64 Ų | 64 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 135.4 | 172.7 | -26.6 | 33.1 | 0 | 0 | 0 | 111.8 | E3357 P3406 F3430 D3431 L3432 | P3355-E3357 VanDerWaalsContact C-N 3.26Å; P3355-E3357 PolarHBondContact O-N 3.35Å; P3355-P3406 HydrophobicContact CG-CB 4.19Å; P3355-F3430 HydrophobicContact CG-CB 4.44Å; P3355-F3430 HydrophobicContact CG-CD1 4.48Å; P3355-D3431 WeakPolarHBondContact CD-O 3.44Å; P3355-L3432 HydrophobicContact CG-CD2 3.79Å; P3355-L3432 HydrophobicContact CG-CG 4.44Å |
| 3356 | K | 73.4 | Confident | 86.8 | Confident | 131 Ų | 131 | 64 Ų | 64 | 57% | 0.57 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | -1.1 | -174.4 | -47.4 | 177.1 | 169.1 | -80.5 | 0 | 116.7 | Q3354 S3403 D3404 | Q3354-K3356 PolarHBondContact O-N 2.85Å; K3356-S3403 PolarHBondContact N-O 2.83Å; K3356-D3404 WeakPolarHBondContact CG-OD1 3.3Å; K3356-D3404 IonicContact NZ-OD1 2.71Å; K3356-D3404 PolarHBondContact NZ-OD1 2.9Å; K3356-D3404 IonicContact NZ-OD2 2.71Å; K3356-D3404 PolarHBondContact NZ-OD2 2.91Å |
| 3357 | E | 81.5 | Confident | 86.6 | Confident | 93 Ų | 93 | 60.5 Ų | 60.5 | 44% | 0.435 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 143.9 | 168.3 | -72.4 | -176.7 | 146.7 | 0 | 0 | 110.7 | V3353 Q3354 P3355 V3359 | V3353-E3357 HydrophobicContact CB-CB 4.41Å; Q3354-E3357 HydrophobicContact CB-CG 3.94Å; Q3354-E3357 WeakPolarHBondContact CB-OE2 3.31Å; Q3354-E3357 PolarHBondContact N-OE2 2.97Å; Q3354-E3357 WeakPolarHBondContact O-CB 3.15Å; Q3354-E3357 PolarHBondContact O-N 2.9Å; P3355-E3357 VanDerWaalsContact C-N 3.26Å; P3355-E3357 PolarHBondContact O-N 3.35Å; E3357-V3359 PolarHBondContact O-N 3.35Å |
| 3358 | P | 85.9 | Confident | 86.2 | Confident | 99 Ų | 99 | 60.8 Ų | 60.8 | 64% | 0.643 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 123 | 177 | 29.2 | -33.4 | 0 | 0 | 0 | 110.2 | ||
| 3359 | V | 88.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 125.6 | 171.2 | 176.9 | 0 | 0 | 0 | 0 | 108.1 | L3351 V3353 E3357 M3361 R3400 F3401 V3428 | L3351-V3359 HydrophobicContact CD2-CG1 4.06Å; V3353-V3359 HydrophobicContact CG1-CG2 4.47Å; V3353-V3359 HydrophobicContact CG2-CG2 3.99Å; E3357-V3359 PolarHBondContact O-N 3.35Å; V3359-M3361 HydrophobicContact CG1-CG 4.16Å; V3359-M3361 HydrophobicContact CG1-SD 4.04Å; V3359-R3400 VanDerWaalsContact O-CA 3.27Å; V3359-R3400 WeakPolarHBondContact O-CA 3.3Å; V3359-F3401 HydrophobicContact CB-CD1 4.02Å; V3359-F3401 HydrophobicContact CB-CD2 4.47Å; V3359-F3401 HydrophobicContact CB-CE1 3.76Å; V3359-F3401 HydrophobicContact CB-CE2 4.24Å; V3359-F3401 HydrophobicContact CB-CG 4.37Å; V3359-F3401 HydrophobicContact CB-CZ 3.88Å; V3359-F3401 HydrophobicContact CG1-CD1 4.03Å; V3359-F3401 HydrophobicContact CG1-CE1 3.39Å; V3359-F3401 HydrophobicContact CG1-CZ 3.67Å; V3359-F3401 HydrophobicContact CG2-CE1 4.45Å; V3359-F3401 HydrophobicContact CG2-CE2 4.15Å; V3359-F3401 HydrophobicContact CG2-CZ 4.05Å; V3359-F3401 PolarHBondContact N-O 2.88Å; V3359-F3401 PolarHBondContact O-N 3.1Å; V3359-V3428 HydrophobicContact CG1-CG1 4.18Å; V3359-V3428 HydrophobicContact CG1-CG2 4.06Å; V3359-V3428 HydrophobicContact CG2-CG1 3.83Å |
| 3360 | E | 91.9 | Very high | 86 | Confident | 104 Ų | 104 | 62.6 Ų | 62.6 | 49% | 0.486 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 122.9 | 173.2 | 179.9 | 167.8 | 165.5 | 0 | 0 | 109.5 | R3400 | E3360-R3400 HydrophobicContact CB-CG 4.12Å; E3360-R3400 VanDerWaalsContact CD-NE 3.25Å; E3360-R3400 HydrophobicContact CG-CG 3.98Å; E3360-R3400 IonicContact OE1-CZ 2.71Å; E3360-R3400 IonicContact OE1-NE 2.69Å; E3360-R3400 IonicContact OE1-NH2 3.58Å; E3360-R3400 PolarHBondContact OE1-NH2 3.09Å; E3360-R3400 IonicContact OE2-CZ 3.47Å; E3360-R3400 VanDerWaalsContact OE2-CZ 3.26Å; E3360-R3400 IonicContact OE2-NE 3.42Å; E3360-R3400 PolarHBondContact OE2-NE 3.44Å; E3360-R3400 IonicContact OE2-NH2 3.55Å; E3360-R3400 PolarHBondContact OE2-NH2 3.48Å |
| 3361 | M | 92.5 | Very high | 86.1 | Confident | 13 Ų | 13 | 58 Ų | 58 | 6% | 0.064 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 141.8 | 179.2 | -70.1 | 172.1 | 63.5 | 0 | 0 | 109.6 | L3348 V3359 T3398 I3399 V3411 A3426 V3428 | L3348-M3361 HydrophobicContact CB-CE 4.34Å; L3348-M3361 HydrophobicContact CD1-CE 4.07Å; L3348-M3361 HydrophobicContact CD2-CB 4.16Å; L3348-M3361 HydrophobicContact CD2-CE 3.83Å; L3348-M3361 HydrophobicContact CG-CE 4.31Å; V3359-M3361 HydrophobicContact CG1-CG 4.16Å; V3359-M3361 HydrophobicContact CG1-SD 4.04Å; M3361-T3398 CarbonylContact O-C 3.51Å; M3361-T3398 VanDerWaalsContact O-CA 3.26Å; M3361-T3398 WeakPolarHBondContact O-CA 3.32Å; M3361-I3399 HydrophobicContact CB-CG2 3.93Å; M3361-I3399 PolarHBondContact N-O 2.83Å; M3361-I3399 PolarHBondContact O-N 3.25Å; M3361-V3411 HydrophobicContact CE-CB 3.72Å; M3361-V3411 HydrophobicContact CE-CG1 3.97Å; M3361-V3411 HydrophobicContact CE-CG2 4.03Å; M3361-V3411 HydrophobicContact SD-CB 4.13Å; M3361-V3411 HydrophobicContact SD-CG1 4.32Å; M3361-V3411 HydrophobicContact SD-CG2 3.77Å; M3361-A3426 HydrophobicContact CE-CB 3.9Å; M3361-V3428 HydrophobicContact CE-CG2 4.49Å; M3361-V3428 HydrophobicContact SD-CG2 3.47Å; M3361-V3428 WeakPolarHBondContact SD-CG2 3.47Å |
| 3362 | G | 92.5 | Very high | 86.2 | Confident | 31 Ų | 31 | 58 Ų | 58 | 32% | 0.32 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 150.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S3397 | G3362-S3397 WeakPolarHBondContact CA-O 3.26Å |
| 3363 | V | 95.4 | Very high | 86.7 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 154.8 | 175.7 | -70.7 | 0 | 0 | 0 | 0 | 111.4 | F3344 E3346 L3348 W3375 A3396 S3397 V3413 | F3344-V3363 HydrophobicContact CD1-CB 3.93Å; F3344-V3363 HydrophobicContact CD1-CG1 3.94Å; F3344-V3363 HydrophobicContact CD1-CG2 4.47Å; F3344-V3363 HydrophobicContact CE1-CB 4.01Å; F3344-V3363 HydrophobicContact CE1-CG1 4.01Å; F3344-V3363 HydrophobicContact CE1-CG2 4.07Å; E3346-V3363 WeakPolarHBondContact O-CA 3.17Å; E3346-V3363 WeakPolarHBondContact O-CB 3.26Å; L3348-V3363 HydrophobicContact CD2-CG1 3.6Å; L3348-V3363 HydrophobicContact CG-CG1 3.77Å; V3363-W3375 HydrophobicContact CG1-CH2 4.47Å; V3363-W3375 HydrophobicContact CG2-CH2 4.22Å; V3363-W3375 HydrophobicContact CG2-CZ2 3.98Å; V3363-A3396 WeakPolarHBondContact O-CA 3.34Å; V3363-S3397 PolarHBondContact N-O 2.9Å; V3363-S3397 PolarHBondContact O-N 2.87Å; V3363-V3413 HydrophobicContact CG1-CG1 3.85Å; V3363-V3413 HydrophobicContact CG2-CG1 4.16Å; V3363-V3413 HydrophobicContact CG2-CG2 4.1Å |
| 3364 | K | 92.8 | Very high | 87.2 | Confident | 91 Ų | 91 | 59 Ų | 59 | 40% | 0.396 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 138.7 | 164.5 | -59.9 | -163.9 | -176.2 | 79.2 | 0 | 109.1 | F3344 V3345 E3346 A3396 | F3344-K3364 CarbonylContact C-O 3.55Å; V3345-K3364 PolarHBondContact N-O 2.8Å; E3346-K3364 HydrophobicContact CB-CB 4.01Å; E3346-K3364 HydrophobicContact CB-CG 4.22Å; E3346-K3364 HydrophobicContact CG-CB 4.27Å; E3346-K3364 HydrophobicContact CG-CG 4.33Å; E3346-K3364 PolarHBondContact N-O 2.99Å; E3346-K3364 VanDerWaalsContact N-O 3.08Å; E3346-K3364 PolarHBondContact O-N 2.91Å; E3346-K3364 VanDerWaalsContact O-N 3.16Å; E3346-K3364 IonicContact OE1-NZ 2.86Å; E3346-K3364 PolarHBondContact OE1-NZ 3.07Å; E3346-K3364 IonicContact OE2-NZ 3.16Å; E3346-K3364 PolarHBondContact OE2-NZ 3.19Å; K3364-A3396 HydrophobicContact CD-CB 4.49Å; K3364-A3396 HydrophobicContact CG-CB 3.99Å |
| 3365 | V | 91.6 | Very high | 88.1 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 121.2 | -172.4 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | P3342 V3343 F3344 L3373 N3395 A3415 | P3342-V3365 HydrophobicContact CB-CG1 3.59Å; V3343-V3365 CarbonylContact O-C 3.55Å; V3343-V3365 VanDerWaalsContact O-CA 3.28Å; V3343-V3365 WeakPolarHBondContact O-CA 3.42Å; F3344-V3365 HydrophobicContact CD1-CG2 3.57Å; F3344-V3365 HydrophobicContact CE1-CG2 3.57Å; F3344-V3365 HydrophobicContact CG-CG2 4.2Å; F3344-V3365 HydrophobicContact CZ-CG2 4.24Å; V3365-L3373 HydrophobicContact CG2-CD2 3.84Å; V3365-N3395 PolarHBondContact N-O 2.9Å; V3365-N3395 WeakPolarHBondContact O-CB 3.09Å; V3365-N3395 PolarHBondContact O-ND2 3.27Å; V3365-A3415 HydrophobicContact CG1-CB 3.87Å; V3365-A3415 HydrophobicContact CG2-CB 4.07Å |
| 3366 | D | 88.1 | Confident | 89.3 | Confident | 90 Ų | 90 | 54.5 Ų | 54.5 | 48% | 0.481 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 127.2 | 169.2 | -154.7 | 0.5 | 0 | 0 | 0 | 107.7 | F3340 P3342 V3343 V3345 | F3340-D3366 HydrophobicContact CE2-CB 4.37Å; F3340-D3366 WeakPolarHBondContact CZ-OD1 3.42Å; P3342-D3366 CarbonylContact C-O 3.58Å; V3343-D3366 PolarHBondContact N-O 2.91Å; V3343-D3366 PolarHBondContact O-N 2.83Å; V3345-D3366 HydrophobicContact CG2-CB 3.68Å |
| 3367 | S | 86.2 | Confident | 90 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.8 | 138 | -165.8 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | P3369 S3371 N3395 N3417 | S3367-P3369 CarbonylContact C-O 3.59Å; S3367-P3369 PolarHBondContact OG-O 3.32Å; S3367-P3369 VanDerWaalsContact OG-O 3.05Å; S3367-S3371 WeakPolarHBondContact CB-OG 3.13Å; S3367-S3371 PolarHBondContact OG-OG 2.91Å; S3367-N3395 PolarHBondContact N-ND2 3.2Å; S3367-N3395 PolarHBondContact O-ND2 2.94Å; S3367-N3417 PolarHBondContact OG-ND2 2.86Å |
| 3368 | R | 83.1 | Confident | 90.1 | Very high | 138 Ų | 138 | 48.5 Ų | 48.5 | 52% | 0.521 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 137.7 | 164.4 | -72.6 | -171 | 179.8 | -177.5 | -1 | 110.4 | E3338 K3339 F3340 N3417 | E3338-R3368 WeakPolarHBondContact O-CB 3.29Å; K3339-R3368 CarbonylContact C-O 3.37Å; K3339-R3368 WeakPolarHBondContact CA-O 3.43Å; F3340-R3368 HydrophobicContact CD1-CB 3.77Å; F3340-R3368 HydrophobicContact CD1-CG 4.03Å; F3340-R3368 HydrophobicContact CE1-CB 3.74Å; F3340-R3368 HydrophobicContact CE1-CG 3.46Å; F3340-R3368 VanDerWaalsContact CE1-CG 3.46Å; F3340-R3368 HydrophobicContact CG-CB 4.44Å; F3340-R3368 HydrophobicContact CZ-CB 4.38Å; F3340-R3368 HydrophobicContact CZ-CG 3.99Å; F3340-R3368 PolarHBondContact N-O 2.89Å; F3340-R3368 PolarHBondContact O-N 2.92Å; R3368-N3417 PolarHBondContact O-ND2 3.38Å |
| 3369 | P | 85.3 | Confident | 89.9 | Confident | 53 Ų | 53 | 46.5 Ų | 46.5 | 34% | 0.344 | 25% | 0.253 | S | S | . | . | S | Bend | cis | -56.3 | 172.2 | -18.7 | 32 | -39.9 | 0 | 0 | 0 | 111.1 | S3367 S3371 E3418 | S3367-P3369 CarbonylContact C-O 3.59Å; S3367-P3369 PolarHBondContact OG-O 3.32Å; S3367-P3369 VanDerWaalsContact OG-O 3.05Å; P3369-S3371 PolarHBondContact O-N 3.04Å; P3369-E3418 WeakPolarHBondContact CD-OE1 3.34Å; P3369-E3418 HydrophobicContact CG-CG 3.89Å; P3369-E3418 VanDerWaalsContact CG-OE1 3.23Å; P3369-E3418 WeakPolarHBondContact CG-OE1 3.19Å |
| 3370 | D | 88.6 | Confident | 89.7 | Confident | 85 Ų | 85 | 52.2 Ų | 52.2 | 46% | 0.455 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -50.7 | 130.3 | 178.6 | -64.6 | -27.2 | 0 | 0 | 0 | 110.6 | R3394 N3395 | D3370-R3394 HydrophobicContact CB-CB 4.15Å; D3370-R3394 WeakPolarHBondContact OD2-CB 3.26Å; D3370-R3394 WeakPolarHBondContact OD2-CD 3.4Å; D3370-R3394 WeakPolarHBondContact OD2-CG 3.45Å; D3370-N3395 VanDerWaalsContact CA-OD1 3.31Å; D3370-N3395 WeakPolarHBondContact CA-OD1 3.39Å |
| 3371 | S | 89.7 | Confident | 89.6 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 7% | 0.07 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 145.2 | -173.2 | -93.2 | 0 | 0 | 0 | 0 | 113.7 | P3342 S3367 P3369 N3395 E3416 | P3342-S3371 WeakPolarHBondContact CB-OG 3.4Å; P3342-S3371 VanDerWaalsContact CG-OG 3.27Å; P3342-S3371 WeakPolarHBondContact CG-OG 3.28Å; S3367-S3371 WeakPolarHBondContact CB-OG 3.13Å; S3367-S3371 PolarHBondContact OG-OG 2.91Å; P3369-S3371 PolarHBondContact O-N 3.04Å; S3371-N3395 PolarHBondContact N-OD1 3.14Å; S3371-E3416 CarbonylContact C-O 3.53Å; S3371-E3416 WeakPolarHBondContact CA-O 3.41Å; S3371-E3416 PolarHBondContact OG-O 3.26Å |
| 3372 | S | 91.4 | Very high | 89.5 | Confident | 60 Ų | 60 | 51.9 Ų | 51.9 | 42% | 0.42 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 130 | 153.3 | 62.5 | 0 | 0 | 0 | 0 | 108.6 | A3415 E3416 | S3372-A3415 WeakPolarHBondContact O-CA 3.43Å; S3372-E3416 PolarHBondContact N-O 2.9Å; S3372-E3416 PolarHBondContact O-N 3.38Å; S3372-E3416 PolarHBondContact OG-O 2.87Å; S3372-E3416 VanDerWaalsContact OG-O 3.1Å |
| 3373 | L | 93.2 | Very high | 89.1 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 12% | 0.115 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 111.9 | -178.2 | -72.3 | 166.8 | 0 | 0 | 0 | 108.8 | V3365 T3392 R3394 V3413 A3415 | V3365-L3373 HydrophobicContact CG2-CD2 3.84Å; L3373-T3392 HydrophobicContact CB-CG2 4.35Å; L3373-T3392 HydrophobicContact CD1-CG2 4.08Å; L3373-R3394 WeakPolarHBondContact CD1-O 3.31Å; L3373-V3413 HydrophobicContact CD2-CG2 4.42Å; L3373-A3415 HydrophobicContact CD2-CB 3.56Å |
| 3374 | Q | 93.5 | Very high | 88.8 | Confident | 69 Ų | 69 | 66.3 Ų | 66.3 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130.1 | -177.6 | -71.2 | -179.4 | -24.5 | 0 | 0 | 110 | F3376 L3381 V3413 K3414 | Q3374-F3376 HydrophobicContact CB-CE2 3.93Å; Q3374-F3376 HydrophobicContact CB-CZ 4.45Å; Q3374-L3381 HydrophobicContact CB-CD1 3.84Å; Q3374-L3381 HydrophobicContact CG-CD1 4.14Å; Q3374-V3413 WeakPolarHBondContact O-CA 3.49Å; Q3374-K3414 HydrophobicContact CB-CB 4.38Å; Q3374-K3414 PolarHBondContact N-O 3.39Å; Q3374-K3414 PolarHBondContact O-N 3.33Å |
| 3375 | W | 95.2 | Very high | 88.3 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 0% | 0.004 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 143.2 | 176.7 | -69.2 | 89.6 | 0 | 0 | 0 | 110.9 | L3348 V3363 V3382 I3390 S3397 I3399 V3411 V3413 | L3348-W3375 HydrophobicContact CD1-CZ3 4.16Å; L3348-W3375 HydrophobicContact CD2-CH2 3.94Å; L3348-W3375 HydrophobicContact CD2-CZ3 4.03Å; V3363-W3375 HydrophobicContact CG1-CH2 4.47Å; V3363-W3375 HydrophobicContact CG2-CH2 4.22Å; V3363-W3375 HydrophobicContact CG2-CZ2 3.98Å; W3375-V3382 HydrophobicContact CB-CG2 3.83Å; W3375-V3382 WeakPolarHBondContact O-CG2 3.34Å; W3375-V3382 PolarHBondContact O-N 3.26Å; W3375-I3390 HydrophobicContact CB-CD1 4.28Å; W3375-I3390 HydrophobicContact CG-CD1 4.5Å; W3375-S3397 PolarHBondContact NE1-OG 2.92Å; W3375-I3399 HydrophobicContact CB-CD1 4.04Å; W3375-I3399 HydrophobicContact CD2-CB 3.79Å; W3375-I3399 HydrophobicContact CD2-CD1 4.32Å; W3375-I3399 HydrophobicContact CD2-CG2 3.91Å; W3375-I3399 HydrophobicContact CE3-CB 3.96Å; W3375-I3399 HydrophobicContact CE3-CD1 4.34Å; W3375-I3399 HydrophobicContact CE3-CG2 3.54Å; W3375-I3399 HydrophobicContact CG-CB 4.24Å; W3375-I3399 HydrophobicContact CG-CD1 4.23Å; W3375-I3399 HydrophobicContact CH2-CB 4.33Å; W3375-I3399 HydrophobicContact CH2-CG2 3.7Å; W3375-I3399 HydrophobicContact CZ2-CB 4.18Å; W3375-I3399 HydrophobicContact CZ2-CG2 4.06Å; W3375-I3399 HydrophobicContact CZ3-CB 4.23Å; W3375-I3399 HydrophobicContact CZ3-CG2 3.43Å; W3375-I3399 VanDerWaalsContact CZ3-CG2 3.43Å; W3375-V3411 HydrophobicContact CE3-CG1 3.7Å; W3375-V3411 HydrophobicContact CZ3-CG1 3.7Å; W3375-V3413 HydrophobicContact CD2-CB 4.05Å; W3375-V3413 HydrophobicContact CD2-CG2 4.14Å; W3375-V3413 HydrophobicContact CE3-CB 3.8Å; W3375-V3413 HydrophobicContact CE3-CG2 4.38Å; W3375-V3413 HydrophobicContact CH2-CB 4.34Å; W3375-V3413 HydrophobicContact CH2-CG1 4.5Å; W3375-V3413 HydrophobicContact CZ2-CG2 4.4Å; W3375-V3413 HydrophobicContact CZ3-CB 3.95Å; W3375-V3413 HydrophobicContact CZ3-CG1 4.29Å |
| 3376 | F | 93.8 | Very high | 87.7 | Confident | 46 Ų | 46 | 70.2 Ų | 70.2 | 20% | 0.202 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 130 | 173.8 | -55.7 | -108.7 | 0 | 0 | 0 | 109.1 | Q3374 I3380 L3381 V3412 K3414 | Q3374-F3376 HydrophobicContact CB-CE2 3.93Å; Q3374-F3376 HydrophobicContact CB-CZ 4.45Å; F3376-I3380 CarbonylContact C-O 3.55Å; F3376-I3380 WeakPolarHBondContact CA-O 3.46Å; F3376-L3381 HydrophobicContact CD1-CB 3.93Å; F3376-L3381 HydrophobicContact CE1-CB 3.74Å; F3376-L3381 HydrophobicContact CE1-CD1 4.08Å; F3376-L3381 HydrophobicContact CE1-CG 4.45Å; F3376-L3381 HydrophobicContact CE2-CD1 4.22Å; F3376-L3381 HydrophobicContact CZ-CB 4.42Å; F3376-L3381 HydrophobicContact CZ-CD1 3.91Å; F3376-V3412 HydrophobicContact CB-CB 4.27Å; F3376-V3412 PolarHBondContact N-O 3.42Å; F3376-V3412 PolarHBondContact O-N 2.99Å; F3376-K3414 HydrophobicContact CE2-CB 3.86Å |
| 3377 | L | 89.2 | Confident | 87.3 | Confident | 20 Ų | 20 | 73.4 Ų | 73.4 | 11% | 0.105 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 123.5 | 171.2 | -91.8 | 162.9 | 0 | 0 | 0 | 107.5 | G3379 I3380 V3382 V3388 I3399 F3401 Y3409 V3411 | L3377-G3379 PolarHBondContact O-N 3.15Å; L3377-G3379 VanDerWaalsContact O-N 3.13Å; L3377-I3380 PolarHBondContact N-O 3.42Å; L3377-I3380 WeakPolarHBondContact O-CB 3.44Å; L3377-I3380 PolarHBondContact O-N 3.16Å; L3377-V3382 HydrophobicContact CB-CG1 4.09Å; L3377-V3382 HydrophobicContact CD1-CG1 4.23Å; L3377-V3382 HydrophobicContact CD1-CG2 4.29Å; L3377-V3388 HydrophobicContact CD1-CG2 4.19Å; L3377-I3399 HydrophobicContact CD1-CD1 3.88Å; L3377-I3399 HydrophobicContact CG-CD1 4.27Å; L3377-F3401 HydrophobicContact CD1-CD1 4.19Å; L3377-F3401 HydrophobicContact CD1-CG 4.18Å; L3377-F3401 HydrophobicContact CD2-CD1 4.35Å; L3377-F3401 HydrophobicContact CD2-CE1 3.88Å; L3377-F3401 HydrophobicContact CD2-CE2 4.12Å; L3377-F3401 HydrophobicContact CD2-CZ 3.76Å; L3377-Y3409 HydrophobicContact CD2-CD1 4.34Å; L3377-V3411 HydrophobicContact CD2-CG2 3.85Å |
| 3378 | E | 83.8 | Confident | 87.4 | Confident | 79 Ų | 79 | 74.4 Ų | 74.4 | 37% | 0.369 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 29.7 | -177.2 | -56.6 | -72.2 | 79.7 | 0 | 0 | 113.4 | I3380 K3407 Y3409 T3410 | E3378-I3380 VanDerWaalsContact C-N 3.3Å; E3378-I3380 PolarHBondContact O-N 2.87Å; E3378-K3407 IonicContact OE2-NZ 3.89Å; E3378-K3407 PolarHBondContact OE2-NZ 3.43Å; E3378-Y3409 HydrophobicContact CG-CD1 3.98Å; E3378-T3410 PolarHBondContact N-O 3.09Å; E3378-T3410 PolarHBondContact OE1-N 3.03Å |
| 3379 | G | 80.4 | Confident | 87.8 | Confident | 57 Ų | 57 | 69.9 Ų | 69.9 | 59% | 0.588 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | -6.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L3377 | L3377-G3379 PolarHBondContact O-N 3.15Å; L3377-G3379 VanDerWaalsContact O-N 3.13Å |
| 3380 | I | 84.9 | Confident | 88.2 | Confident | 119 Ų | 119 | 68.4 Ų | 68.4 | 61% | 0.61 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 126.8 | 177.8 | -55.3 | 176.1 | 0 | 0 | 0 | 109.4 | F3376 L3377 E3378 V3382 | F3376-I3380 CarbonylContact C-O 3.55Å; F3376-I3380 WeakPolarHBondContact CA-O 3.46Å; L3377-I3380 PolarHBondContact N-O 3.42Å; L3377-I3380 WeakPolarHBondContact O-CB 3.44Å; L3377-I3380 PolarHBondContact O-N 3.16Å; E3378-I3380 VanDerWaalsContact C-N 3.3Å; E3378-I3380 PolarHBondContact O-N 2.87Å; I3380-V3382 PolarHBondContact O-N 3.26Å |
| 3381 | L | 90.2 | Very high | 88.3 | Confident | 82 Ų | 82 | 68.3 Ų | 68.3 | 43% | 0.429 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 123.4 | 173.1 | 176.6 | 64.2 | 0 | 0 | 0 | 109.8 | Q3374 F3376 | Q3374-L3381 HydrophobicContact CB-CD1 3.84Å; Q3374-L3381 HydrophobicContact CG-CD1 4.14Å; F3376-L3381 HydrophobicContact CD1-CB 3.93Å; F3376-L3381 HydrophobicContact CE1-CB 3.74Å; F3376-L3381 HydrophobicContact CE1-CD1 4.08Å; F3376-L3381 HydrophobicContact CE1-CG 4.45Å; F3376-L3381 HydrophobicContact CE2-CD1 4.22Å; F3376-L3381 HydrophobicContact CZ-CB 4.42Å; F3376-L3381 HydrophobicContact CZ-CD1 3.91Å |
| 3382 | V | 89.6 | Confident | 88.3 | Confident | 28 Ų | 28 | 71.2 Ų | 71.2 | 17% | 0.17 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 130.7 | 179.1 | -73 | 0 | 0 | 0 | 0 | 111.7 | W3375 L3377 I3380 V3388 I3390 I3399 | W3375-V3382 HydrophobicContact CB-CG2 3.83Å; W3375-V3382 WeakPolarHBondContact O-CG2 3.34Å; W3375-V3382 PolarHBondContact O-N 3.26Å; L3377-V3382 HydrophobicContact CB-CG1 4.09Å; L3377-V3382 HydrophobicContact CD1-CG1 4.23Å; L3377-V3382 HydrophobicContact CD1-CG2 4.29Å; I3380-V3382 PolarHBondContact O-N 3.26Å; V3382-V3388 HydrophobicContact CG2-CG1 4.41Å; V3382-I3390 HydrophobicContact CG2-CD1 4.24Å; V3382-I3390 WeakPolarHBondContact O-CD1 3.27Å; V3382-I3399 HydrophobicContact CG2-CD1 4.03Å |
| 3383 | E | 85.9 | Confident | 88.2 | Confident | 166 Ų | 166 | 74.1 Ų | 74.1 | 78% | 0.776 | 40% | 0.395 | S | S | * | . | trans | -96.7 | 167.9 | 169.7 | -63.8 | -164.3 | 160.1 | 0 | 0 | 111.2 | G3385 | E3383-G3385 PolarHBondContact O-N 3.39Š| ||
| 3384 | R | 88.7 | Confident | 87.9 | Confident | 172 Ų | 172 | 81.1 Ų | 81.1 | 65% | 0.649 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -69.9 | 115 | 179.1 | -173.8 | -179.4 | -168.9 | -164.8 | 4.8 | 111.1 | D3389 I3390 | R3384-D3389 IonicContact CZ-OD1 3.31Å; R3384-D3389 IonicContact NE-OD1 2.78Å; R3384-D3389 PolarHBondContact NE-OD1 3.42Å; R3384-D3389 IonicContact NH2-OD1 2.78Å; R3384-D3389 PolarHBondContact NH2-OD1 2.81Å; R3384-D3389 IonicContact NH2-OD2 3.71Å; R3384-I3390 HydrophobicContact CB-CB 4.39Å; R3384-I3390 WeakPolarHBondContact CD-O 3.48Å; R3384-I3390 PolarHBondContact NE-O 2.96Å |
| 3385 | G | 82.3 | Confident | 87.6 | Confident | 36 Ų | 36 | 79.2 Ų | 79.2 | 37% | 0.371 | 41% | 0.412 | S | S | . | . | trans | -139.7 | -168.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E3383 E3387 V3388 | E3383-G3385 PolarHBondContact O-N 3.39Å; G3385-E3387 VanDerWaalsContact C-N 3.33Å; G3385-V3388 PolarHBondContact N-O 3.35Å; G3385-V3388 VanDerWaalsContact O-O 3.13Å | ||
| 3386 | P | 78.4 | Confident | 87.5 | Confident | 140 Ų | 140 | 80.6 Ų | 80.6 | 91% | 0.909 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -73.9 | -21.5 | 179.9 | 29.7 | -34.6 | 0 | 0 | 0 | 113.9 | ||
| 3387 | E | 80.6 | Confident | 87.5 | Confident | 158 Ų | 158 | 78.4 Ų | 78.4 | 74% | 0.738 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -102 | -17.5 | -178.9 | -64.4 | 175.6 | 179.7 | 0 | 0 | 112.8 | G3385 | G3385-E3387 VanDerWaalsContact C-N 3.33Š|
| 3388 | V | 88.2 | Confident | 87.8 | Confident | 21 Ų | 21 | 79.3 Ų | 79.3 | 13% | 0.127 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 107 | -179 | -174.1 | 0 | 0 | 0 | 0 | 109.3 | L3377 V3382 G3385 I3390 I3399 R3400 F3401 | L3377-V3388 HydrophobicContact CD1-CG2 4.19Å; V3382-V3388 HydrophobicContact CG2-CG1 4.41Å; G3385-V3388 PolarHBondContact N-O 3.35Å; G3385-V3388 VanDerWaalsContact O-O 3.13Å; V3388-I3390 HydrophobicContact CG1-CD1 4.38Å; V3388-I3390 HydrophobicContact CG1-CG1 4Å; V3388-I3399 HydrophobicContact CG1-CD1 3.69Å; V3388-I3399 HydrophobicContact CG1-CG1 3.66Å; V3388-R3400 CarbonylContact C-O 3.56Å; V3388-R3400 WeakPolarHBondContact CA-O 3.47Å; V3388-F3401 HydrophobicContact CG2-CB 4.13Å |
| 3389 | D | 91.2 | Very high | 88.3 | Confident | 44 Ų | 44 | 75.5 Ų | 75.5 | 24% | 0.235 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 113.3 | 174.6 | -174.1 | 45.1 | 0 | 0 | 0 | 109.8 | R3384 Q3391 R3400 | R3384-D3389 IonicContact CZ-OD1 3.31Å; R3384-D3389 IonicContact NE-OD1 2.78Å; R3384-D3389 PolarHBondContact NE-OD1 3.42Å; R3384-D3389 IonicContact NH2-OD1 2.78Å; R3384-D3389 PolarHBondContact NH2-OD1 2.81Å; R3384-D3389 IonicContact NH2-OD2 3.71Å; D3389-Q3391 WeakPolarHBondContact OD2-CG 3.41Å; D3389-Q3391 PolarHBondContact OD2-NE2 2.72Å; D3389-R3400 HydrophobicContact CB-CB 4.49Å; D3389-R3400 PolarHBondContact N-O 2.93Å; D3389-R3400 PolarHBondContact O-N 3.39Å |
| 3390 | I | 93 | Very high | 88.9 | Confident | 21 Ų | 21 | 76.6 Ų | 76.6 | 11% | 0.108 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 121.8 | 175.9 | -55.5 | 176.3 | 0 | 0 | 0 | 108.1 | W3375 V3382 R3384 V3388 T3398 I3399 | W3375-I3390 HydrophobicContact CB-CD1 4.28Å; W3375-I3390 HydrophobicContact CG-CD1 4.5Å; V3382-I3390 HydrophobicContact CG2-CD1 4.24Å; V3382-I3390 WeakPolarHBondContact O-CD1 3.27Å; R3384-I3390 HydrophobicContact CB-CB 4.39Å; R3384-I3390 WeakPolarHBondContact CD-O 3.48Å; R3384-I3390 PolarHBondContact NE-O 2.96Å; V3388-I3390 HydrophobicContact CG1-CD1 4.38Å; V3388-I3390 HydrophobicContact CG1-CG1 4Å; I3390-T3398 WeakPolarHBondContact CA-O 3.2Å; I3390-I3399 HydrophobicContact CG1-CG1 4.32Å |
| 3391 | Q | 91.1 | Very high | 89.1 | Confident | 83 Ų | 83 | 71.6 Ų | 71.6 | 39% | 0.388 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 111.2 | 176.9 | -54.7 | -174 | 0 | 0 | 0 | 108.5 | D3389 S3397 T3398 R3400 | D3389-Q3391 WeakPolarHBondContact OD2-CG 3.41Å; D3389-Q3391 PolarHBondContact OD2-NE2 2.72Å; Q3391-S3397 CarbonylContact O-C 3.59Å; Q3391-S3397 WeakPolarHBondContact O-CA 3.33Å; Q3391-T3398 PolarHBondContact N-O 2.82Å; Q3391-T3398 PolarHBondContact O-N 2.85Å; Q3391-R3400 VanDerWaalsContact CD-NH1 3.33Å; Q3391-R3400 VanDerWaalsContact NE2-NH1 3.13Å |
| 3392 | T | 90.4 | Very high | 88.8 | Confident | 72 Ų | 72 | 71.3 Ų | 71.3 | 44% | 0.442 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 123.1 | 179.4 | -58.7 | 0 | 0 | 0 | 0 | 109.6 | L3373 A3396 S3397 | L3373-T3392 HydrophobicContact CB-CG2 4.35Å; L3373-T3392 HydrophobicContact CD1-CG2 4.08Å; T3392-A3396 CarbonylContact C-O 3.5Å; T3392-A3396 WeakPolarHBondContact CA-O 3.27Å; T3392-S3397 WeakPolarHBondContact OG1-CB 3.31Å; T3392-S3397 PolarHBondContact OG1-OG 2.87Å |
| 3393 | D | 88.5 | Confident | 88 | Confident | 121 Ų | 121 | 70.6 Ų | 70.6 | 65% | 0.647 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 96.2 | 169.7 | -178.7 | 19.1 | 0 | 0 | 0 | 108.1 | N3395 A3396 | D3393-N3395 PolarHBondContact O-N 2.9Å; D3393-A3396 PolarHBondContact N-O 2.77Å; D3393-A3396 PolarHBondContact O-N 2.92Å |
| 3394 | R | 86.8 | Confident | 87.3 | Confident | 169 Ų | 169 | 68.1 Ų | 68.1 | 64% | 0.638 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | -103.6 | -175.4 | -55.1 | 178.7 | -165.6 | -151.9 | 3.1 | 111.9 | D3370 L3373 | D3370-R3394 HydrophobicContact CB-CB 4.15Å; D3370-R3394 WeakPolarHBondContact OD2-CB 3.26Å; D3370-R3394 WeakPolarHBondContact OD2-CD 3.4Å; D3370-R3394 WeakPolarHBondContact OD2-CG 3.45Å; L3373-R3394 WeakPolarHBondContact CD1-O 3.31Å |
| 3395 | N | 88.4 | Confident | 86.3 | Confident | 28 Ų | 28 | 65 Ų | 65 | 15% | 0.15 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 1.5 | -173.8 | -91.1 | -1.9 | 0 | 0 | 0 | 113.5 | V3365 S3367 D3370 S3371 D3393 | V3365-N3395 PolarHBondContact N-O 2.9Å; V3365-N3395 WeakPolarHBondContact O-CB 3.09Å; V3365-N3395 PolarHBondContact O-ND2 3.27Å; S3367-N3395 PolarHBondContact N-ND2 3.2Å; S3367-N3395 PolarHBondContact O-ND2 2.94Å; D3370-N3395 VanDerWaalsContact CA-OD1 3.31Å; D3370-N3395 WeakPolarHBondContact CA-OD1 3.39Å; S3371-N3395 PolarHBondContact N-OD1 3.14Å; D3393-N3395 PolarHBondContact O-N 2.9Å |
| 3396 | A | 92.5 | Very high | 85.6 | Confident | 30 Ų | 30 | 65.9 Ų | 65.9 | 25% | 0.248 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 140 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | V3363 K3364 T3392 D3393 | V3363-A3396 WeakPolarHBondContact O-CA 3.34Å; K3364-A3396 HydrophobicContact CD-CB 4.49Å; K3364-A3396 HydrophobicContact CG-CB 3.99Å; T3392-A3396 CarbonylContact C-O 3.5Å; T3392-A3396 WeakPolarHBondContact CA-O 3.27Å; D3393-A3396 PolarHBondContact N-O 2.77Å; D3393-A3396 PolarHBondContact O-N 2.92Å |
| 3397 | S | 94.5 | Very high | 85.3 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 145 | 171 | -168.6 | 0 | 0 | 0 | 0 | 111.1 | G3362 V3363 W3375 Q3391 T3392 | G3362-S3397 WeakPolarHBondContact CA-O 3.26Å; V3363-S3397 PolarHBondContact N-O 2.9Å; V3363-S3397 PolarHBondContact O-N 2.87Å; W3375-S3397 PolarHBondContact NE1-OG 2.92Å; Q3391-S3397 CarbonylContact O-C 3.59Å; Q3391-S3397 WeakPolarHBondContact O-CA 3.33Å; T3392-S3397 WeakPolarHBondContact OG1-CB 3.31Å; T3392-S3397 PolarHBondContact OG1-OG 2.87Å |
| 3398 | T | 94.4 | Very high | 85.2 | Confident | 38 Ų | 38 | 62.3 Ų | 62.3 | 23% | 0.233 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 132.4 | 173.2 | 61.8 | 0 | 0 | 0 | 0 | 110.2 | M3361 I3390 Q3391 | M3361-T3398 CarbonylContact O-C 3.51Å; M3361-T3398 VanDerWaalsContact O-CA 3.26Å; M3361-T3398 WeakPolarHBondContact O-CA 3.32Å; I3390-T3398 WeakPolarHBondContact CA-O 3.2Å; Q3391-T3398 PolarHBondContact N-O 2.82Å; Q3391-T3398 PolarHBondContact O-N 2.85Å |
| 3399 | I | 94.1 | Very high | 85 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 134.8 | 168.1 | -170.8 | 169.1 | 0 | 0 | 0 | 109.5 | M3361 W3375 L3377 V3382 V3388 I3390 F3401 V3411 | M3361-I3399 HydrophobicContact CB-CG2 3.93Å; M3361-I3399 PolarHBondContact N-O 2.83Å; M3361-I3399 PolarHBondContact O-N 3.25Å; W3375-I3399 HydrophobicContact CB-CD1 4.04Å; W3375-I3399 HydrophobicContact CD2-CB 3.79Å; W3375-I3399 HydrophobicContact CD2-CD1 4.32Å; W3375-I3399 HydrophobicContact CD2-CG2 3.91Å; W3375-I3399 HydrophobicContact CE3-CB 3.96Å; W3375-I3399 HydrophobicContact CE3-CD1 4.34Å; W3375-I3399 HydrophobicContact CE3-CG2 3.54Å; W3375-I3399 HydrophobicContact CG-CB 4.24Å; W3375-I3399 HydrophobicContact CG-CD1 4.23Å; W3375-I3399 HydrophobicContact CH2-CB 4.33Å; W3375-I3399 HydrophobicContact CH2-CG2 3.7Å; W3375-I3399 HydrophobicContact CZ2-CB 4.18Å; W3375-I3399 HydrophobicContact CZ2-CG2 4.06Å; W3375-I3399 HydrophobicContact CZ3-CB 4.23Å; W3375-I3399 HydrophobicContact CZ3-CG2 3.43Å; W3375-I3399 VanDerWaalsContact CZ3-CG2 3.43Å; L3377-I3399 HydrophobicContact CD1-CD1 3.88Å; L3377-I3399 HydrophobicContact CG-CD1 4.27Å; V3382-I3399 HydrophobicContact CG2-CD1 4.03Å; V3388-I3399 HydrophobicContact CG1-CD1 3.69Å; V3388-I3399 HydrophobicContact CG1-CG1 3.66Å; I3390-I3399 HydrophobicContact CG1-CG1 4.32Å; I3399-F3401 HydrophobicContact CD1-CD1 4.43Å; I3399-F3401 HydrophobicContact CG1-CD1 4.36Å; I3399-V3411 HydrophobicContact CG2-CG1 4.33Å |
| 3400 | R | 92.7 | Very high | 84.9 | Confident | 80 Ų | 80 | 63.6 Ų | 63.6 | 30% | 0.302 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129.9 | 164.9 | -69.2 | -174.4 | 179.9 | 99 | 8.7 | 110 | V3359 E3360 V3388 D3389 Q3391 | V3359-R3400 VanDerWaalsContact O-CA 3.27Å; V3359-R3400 WeakPolarHBondContact O-CA 3.3Å; E3360-R3400 HydrophobicContact CB-CG 4.12Å; E3360-R3400 VanDerWaalsContact CD-NE 3.25Å; E3360-R3400 HydrophobicContact CG-CG 3.98Å; E3360-R3400 IonicContact OE1-CZ 2.71Å; E3360-R3400 IonicContact OE1-NE 2.69Å; E3360-R3400 IonicContact OE1-NH2 3.58Å; E3360-R3400 PolarHBondContact OE1-NH2 3.09Å; E3360-R3400 IonicContact OE2-CZ 3.47Å; E3360-R3400 VanDerWaalsContact OE2-CZ 3.26Å; E3360-R3400 IonicContact OE2-NE 3.42Å; E3360-R3400 PolarHBondContact OE2-NE 3.44Å; E3360-R3400 IonicContact OE2-NH2 3.55Å; E3360-R3400 PolarHBondContact OE2-NH2 3.48Å; V3388-R3400 CarbonylContact C-O 3.56Å; V3388-R3400 WeakPolarHBondContact CA-O 3.47Å; D3389-R3400 HydrophobicContact CB-CB 4.49Å; D3389-R3400 PolarHBondContact N-O 2.93Å; D3389-R3400 PolarHBondContact O-N 3.39Å; Q3391-R3400 VanDerWaalsContact CD-NH1 3.33Å; Q3391-R3400 VanDerWaalsContact NE2-NH1 3.13Å |
| 3401 | F | 90.7 | Very high | 84.9 | Confident | 14 Ų | 14 | 62.6 Ų | 62.6 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 164.8 | 172.4 | 70.3 | -83.5 | 0 | 0 | 0 | 110.7 | V3359 L3377 V3388 I3399 Y3409 V3411 V3428 | V3359-F3401 HydrophobicContact CB-CD1 4.02Å; V3359-F3401 HydrophobicContact CB-CD2 4.47Å; V3359-F3401 HydrophobicContact CB-CE1 3.76Å; V3359-F3401 HydrophobicContact CB-CE2 4.24Å; V3359-F3401 HydrophobicContact CB-CG 4.37Å; V3359-F3401 HydrophobicContact CB-CZ 3.88Å; V3359-F3401 HydrophobicContact CG1-CD1 4.03Å; V3359-F3401 HydrophobicContact CG1-CE1 3.39Å; V3359-F3401 HydrophobicContact CG1-CZ 3.67Å; V3359-F3401 HydrophobicContact CG2-CE1 4.45Å; V3359-F3401 HydrophobicContact CG2-CE2 4.15Å; V3359-F3401 HydrophobicContact CG2-CZ 4.05Å; V3359-F3401 PolarHBondContact N-O 2.88Å; V3359-F3401 PolarHBondContact O-N 3.1Å; L3377-F3401 HydrophobicContact CD1-CD1 4.19Å; L3377-F3401 HydrophobicContact CD1-CG 4.18Å; L3377-F3401 HydrophobicContact CD2-CD1 4.35Å; L3377-F3401 HydrophobicContact CD2-CE1 3.88Å; L3377-F3401 HydrophobicContact CD2-CE2 4.12Å; L3377-F3401 HydrophobicContact CD2-CZ 3.76Å; V3388-F3401 HydrophobicContact CG2-CB 4.13Å; I3399-F3401 HydrophobicContact CD1-CD1 4.43Å; I3399-F3401 HydrophobicContact CG1-CD1 4.36Å; F3401-Y3409 HydrophobicContact CE2-CD1 4.5Å; F3401-Y3409 HydrophobicContact CE2-CG 4.4Å; F3401-V3411 HydrophobicContact CE1-CG2 4.05Å; F3401-V3411 HydrophobicContact CZ-CG2 4.21Å; F3401-V3428 HydrophobicContact CZ-CG2 4.41Å |
| 3402 | S | 83.2 | Confident | 85.1 | Confident | 75 Ų | 75 | 60.2 Ų | 60.2 | 52% | 0.524 | 31% | 0.313 | S | S | . | . | trans | -140.4 | 134.4 | 174.9 | 57.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 3403 | S | 73.2 | Confident | 85.3 | Confident | 13 Ų | 13 | 56.8 Ų | 56.8 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | trans | -117.2 | 136.4 | 176.9 | -169.2 | 0 | 0 | 0 | 0 | 112.4 | K3356 I3405 Y3409 | K3356-S3403 PolarHBondContact N-O 2.83Å; S3403-I3405 VanDerWaalsContact C-N 3.28Å; S3403-I3405 PolarHBondContact OG-N 3.28Å; S3403-I3405 PolarHBondContact OG-O 2.94Å; S3403-Y3409 PolarHBondContact OG-OH 2.95Å | ||
| 3404 | D | 71.2 | Confident | 85.6 | Confident | 114 Ų | 114 | 53.1 Ų | 53.1 | 61% | 0.61 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -78.9 | -12.7 | 165.1 | -90.9 | 12.9 | 0 | 0 | 0 | 112.4 | K3356 P3406 | K3356-D3404 WeakPolarHBondContact CG-OD1 3.3Å; K3356-D3404 IonicContact NZ-OD1 2.71Å; K3356-D3404 PolarHBondContact NZ-OD1 2.9Å; K3356-D3404 IonicContact NZ-OD2 2.71Å; K3356-D3404 PolarHBondContact NZ-OD2 2.91Å; D3404-P3406 WeakPolarHBondContact O-CD 3.22Å |
| 3405 | I | 67.9 | Low | 85.9 | Confident | 107 Ų | 107 | 45 Ų | 45 | 55% | 0.549 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -100.5 | 108.6 | -177.7 | -54 | 176.5 | 0 | 0 | 0 | 109.1 | S3403 K3407 | S3403-I3405 VanDerWaalsContact C-N 3.28Å; S3403-I3405 PolarHBondContact OG-N 3.28Å; S3403-I3405 PolarHBondContact OG-O 2.94Å; I3405-K3407 VanDerWaalsContact C-N 3.27Å; I3405-K3407 HydrophobicContact CG2-CB 4.43Å; I3405-K3407 HydrophobicContact CG2-CG 4.15Å; I3405-K3407 PolarHBondContact O-N 2.87Å |
| 3406 | P | 67.6 | Low | 86 | Confident | 55 Ų | 55 | 46.6 Ų | 46.6 | 36% | 0.357 | 25% | 0.246 | S | C | . | . | trans | -80.5 | 70 | -176.7 | 35.2 | -38.2 | 0 | 0 | 0 | 111.5 | P3355 D3404 F3430 L3432 | P3355-P3406 HydrophobicContact CG-CB 4.19Å; D3404-P3406 WeakPolarHBondContact O-CD 3.22Å; P3406-F3430 HydrophobicContact CB-CB 3.86Å; P3406-F3430 HydrophobicContact CB-CG 4.26Å; P3406-L3432 HydrophobicContact CB-CD1 3.84Å; P3406-L3432 HydrophobicContact CB-CD2 3.89Å; P3406-L3432 HydrophobicContact CB-CG 3.93Å; P3406-L3432 HydrophobicContact CG-CD1 3.77Å; P3406-L3432 HydrophobicContact CG-CD2 3.89Å; P3406-L3432 HydrophobicContact CG-CG 4.21Å | ||
| 3407 | K | 71 | Confident | 85.8 | Confident | 87 Ų | 87 | 46 Ų | 46 | 38% | 0.378 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -116.4 | 165.1 | 172.3 | 68.8 | 157.7 | -170 | 165 | 0 | 110.9 | E3378 I3405 Y3409 F3430 | E3378-K3407 IonicContact OE2-NZ 3.89Å; E3378-K3407 PolarHBondContact OE2-NZ 3.43Å; I3405-K3407 VanDerWaalsContact C-N 3.27Å; I3405-K3407 HydrophobicContact CG2-CB 4.43Å; I3405-K3407 HydrophobicContact CG2-CG 4.15Å; I3405-K3407 PolarHBondContact O-N 2.87Å; K3407-Y3409 HydrophobicContact CD-CE2 4.29Å; K3407-Y3409 VanDerWaalsContact CE-CE1 3.41Å; K3407-Y3409 HydrophobicContact CG-CD2 4.03Å; K3407-Y3409 HydrophobicContact CG-CE2 3.43Å; K3407-Y3409 VanDerWaalsContact CG-CE2 3.43Å; K3407-Y3409 WeakPolarHBondContact O-CD2 3.5Å; K3407-Y3409 WeakPolarHBondContact O-CE2 3.29Å; K3407-F3430 WeakPolarHBondContact O-CD2 3.44Å |
| 3408 | Q | 78.6 | Confident | 85.4 | Confident | 135 Ų | 135 | 50 Ų | 50 | 63% | 0.631 | 26% | 0.258 | S | S | * | . | trans | -67.2 | 144.7 | 167.4 | -73 | 179 | -14 | 0 | 0 | 110.9 | I3427 V3428 | Q3408-I3427 HydrophobicContact CB-CG2 4.34Å; Q3408-I3427 HydrophobicContact CG-CG2 4.42Å; Q3408-V3428 VanDerWaalsContact CA-O 3.26Å; Q3408-V3428 WeakPolarHBondContact CA-O 3.45Å | ||
| 3409 | Y | 84.3 | Confident | 84.7 | Confident | 28 Ų | 28 | 50.8 Ų | 50.8 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 136.3 | 173.9 | -71.8 | -100.5 | 0 | 0 | 0 | 110.2 | L3377 E3378 F3401 S3403 K3407 I3427 V3428 F3430 | L3377-Y3409 HydrophobicContact CD2-CD1 4.34Å; E3378-Y3409 HydrophobicContact CG-CD1 3.98Å; F3401-Y3409 HydrophobicContact CE2-CD1 4.5Å; F3401-Y3409 HydrophobicContact CE2-CG 4.4Å; S3403-Y3409 PolarHBondContact OG-OH 2.95Å; K3407-Y3409 HydrophobicContact CD-CE2 4.29Å; K3407-Y3409 VanDerWaalsContact CE-CE1 3.41Å; K3407-Y3409 HydrophobicContact CG-CD2 4.03Å; K3407-Y3409 HydrophobicContact CG-CE2 3.43Å; K3407-Y3409 VanDerWaalsContact CG-CE2 3.43Å; K3407-Y3409 WeakPolarHBondContact O-CD2 3.5Å; K3407-Y3409 WeakPolarHBondContact O-CE2 3.29Å; Y3409-I3427 WeakPolarHBondContact O-CA 3.28Å; Y3409-V3428 PolarHBondContact N-O 2.91Å; Y3409-V3428 PolarHBondContact O-N 2.85Å; Y3409-F3430 AromaticContact CD2-CE2 3.84Å; Y3409-F3430 HydrophobicContact CD2-CE2 3.84Å; Y3409-F3430 AromaticContact CE2-CE2 3.78Å; Y3409-F3430 HydrophobicContact CE2-CE2 3.78Å |
| 3410 | T | 89.4 | Confident | 84.1 | Confident | 64 Ų | 64 | 51.9 Ų | 51.9 | 39% | 0.393 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 121.5 | 170.4 | -49.6 | 0 | 0 | 0 | 0 | 109 | E3378 V3412 | E3378-T3410 PolarHBondContact N-O 3.09Å; E3378-T3410 PolarHBondContact OE1-N 3.03Å; T3410-V3412 HydrophobicContact CG2-CG2 4.12Å |
| 3411 | V | 92.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.3 | 175.6 | -173.5 | 0 | 0 | 0 | 0 | 108.3 | M3361 W3375 L3377 I3399 F3401 S3425 A3426 V3428 | M3361-V3411 HydrophobicContact CE-CB 3.72Å; M3361-V3411 HydrophobicContact CE-CG1 3.97Å; M3361-V3411 HydrophobicContact CE-CG2 4.03Å; M3361-V3411 HydrophobicContact SD-CB 4.13Å; M3361-V3411 HydrophobicContact SD-CG1 4.32Å; M3361-V3411 HydrophobicContact SD-CG2 3.77Å; W3375-V3411 HydrophobicContact CE3-CG1 3.7Å; W3375-V3411 HydrophobicContact CZ3-CG1 3.7Å; L3377-V3411 HydrophobicContact CD2-CG2 3.85Å; I3399-V3411 HydrophobicContact CG2-CG1 4.33Å; F3401-V3411 HydrophobicContact CE1-CG2 4.05Å; F3401-V3411 HydrophobicContact CZ-CG2 4.21Å; V3411-S3425 CarbonylContact O-C 3.55Å; V3411-S3425 VanDerWaalsContact O-CA 3.24Å; V3411-S3425 WeakPolarHBondContact O-CA 3.24Å; V3411-S3425 WeakPolarHBondContact O-CB 3.48Å; V3411-A3426 PolarHBondContact N-O 3.44Å; V3411-A3426 PolarHBondContact O-N 3.11Å; V3411-V3428 HydrophobicContact CG2-CG2 4Å |
| 3412 | V | 94.6 | Very high | 83.8 | Confident | 33 Ų | 33 | 53 Ų | 53 | 20% | 0.2 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 142.9 | 178.3 | -172.1 | 0 | 0 | 0 | 0 | 108.8 | F3376 T3410 V3423 D3424 | F3376-V3412 HydrophobicContact CB-CB 4.27Å; F3376-V3412 PolarHBondContact N-O 3.42Å; F3376-V3412 PolarHBondContact O-N 2.99Å; T3410-V3412 HydrophobicContact CG2-CG2 4.12Å; V3412-V3423 HydrophobicContact CG1-CG1 3.41Å; V3412-V3423 VanDerWaalsContact CG1-CG1 3.41Å; V3412-D3424 WeakPolarHBondContact CA-O 3.02Å |
| 3413 | V | 94.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.5 | 171.9 | 56.5 | 0 | 0 | 0 | 0 | 110.2 | F3344 L3348 V3363 L3373 Q3374 W3375 V3423 D3424 | F3344-V3413 HydrophobicContact CE1-CG1 3.57Å; F3344-V3413 HydrophobicContact CE1-CG2 4.36Å; F3344-V3413 HydrophobicContact CZ-CG1 3.84Å; F3344-V3413 HydrophobicContact CZ-CG2 4.48Å; L3348-V3413 HydrophobicContact CD1-CG1 3.92Å; L3348-V3413 HydrophobicContact CG-CG1 4.32Å; V3363-V3413 HydrophobicContact CG1-CG1 3.85Å; V3363-V3413 HydrophobicContact CG2-CG1 4.16Å; V3363-V3413 HydrophobicContact CG2-CG2 4.1Å; L3373-V3413 HydrophobicContact CD2-CG2 4.42Å; Q3374-V3413 WeakPolarHBondContact O-CA 3.49Å; W3375-V3413 HydrophobicContact CD2-CB 4.05Å; W3375-V3413 HydrophobicContact CD2-CG2 4.14Å; W3375-V3413 HydrophobicContact CE3-CB 3.8Å; W3375-V3413 HydrophobicContact CE3-CG2 4.38Å; W3375-V3413 HydrophobicContact CH2-CB 4.34Å; W3375-V3413 HydrophobicContact CH2-CG1 4.5Å; W3375-V3413 HydrophobicContact CZ2-CG2 4.4Å; W3375-V3413 HydrophobicContact CZ3-CB 3.95Å; W3375-V3413 HydrophobicContact CZ3-CG1 4.29Å; V3413-V3423 WeakPolarHBondContact O-CA 3.41Å; V3413-D3424 HydrophobicContact CG1-CB 4.27Å; V3413-D3424 PolarHBondContact N-O 2.86Å; V3413-D3424 PolarHBondContact O-N 2.86Å; V3413-D3424 VanDerWaalsContact O-N 3.09Å |
| 3414 | K | 94.8 | Very high | 85.2 | Confident | 44 Ų | 44 | 54 Ų | 54 | 19% | 0.191 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 125 | 172.4 | -174.4 | -163.5 | -176.8 | -160.1 | 0 | 108.1 | Q3374 F3376 E3416 I3421 V3423 | Q3374-K3414 HydrophobicContact CB-CB 4.38Å; Q3374-K3414 PolarHBondContact N-O 3.39Å; Q3374-K3414 PolarHBondContact O-N 3.33Å; F3376-K3414 HydrophobicContact CE2-CB 3.86Å; K3414-E3416 IonicContact NZ-OE1 3.6Å; K3414-E3416 PolarHBondContact NZ-OE1 3.47Å; K3414-E3416 IonicContact NZ-OE2 3.58Å; K3414-E3416 PolarHBondContact NZ-OE2 3.3Å; K3414-I3421 HydrophobicContact CD-CG2 4.33Å; K3414-I3421 HydrophobicContact CG-CG2 3.81Å; K3414-V3423 HydrophobicContact CG-CG2 4.33Å |
| 3415 | A | 93.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 126.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | P3342 F3344 V3365 S3372 L3373 I3421 A3422 | P3342-A3415 HydrophobicContact CB-CB 3.73Å; P3342-A3415 HydrophobicContact CG-CB 4.39Å; F3344-A3415 HydrophobicContact CE2-CB 4.2Å; F3344-A3415 HydrophobicContact CZ-CB 3.84Å; V3365-A3415 HydrophobicContact CG1-CB 3.87Å; V3365-A3415 HydrophobicContact CG2-CB 4.07Å; S3372-A3415 WeakPolarHBondContact O-CA 3.43Å; L3373-A3415 HydrophobicContact CD2-CB 3.56Å; A3415-I3421 CarbonylContact O-C 3.57Å; A3415-I3421 WeakPolarHBondContact O-CA 3.22Å; A3415-A3422 PolarHBondContact N-O 2.75Å; A3415-A3422 PolarHBondContact O-N 3.29Å |
| 3416 | E | 91.2 | Very high | 87.5 | Confident | 60 Ų | 60 | 47.4 Ų | 47.4 | 28% | 0.28 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 136.5 | -177.9 | 174.7 | 168.3 | -120.6 | 0 | 0 | 109.6 | S3371 S3372 K3414 I3421 | S3371-E3416 CarbonylContact C-O 3.53Å; S3371-E3416 WeakPolarHBondContact CA-O 3.41Å; S3371-E3416 PolarHBondContact OG-O 3.26Å; S3372-E3416 PolarHBondContact N-O 2.9Å; S3372-E3416 PolarHBondContact O-N 3.38Å; S3372-E3416 PolarHBondContact OG-O 2.87Å; S3372-E3416 VanDerWaalsContact OG-O 3.1Å; K3414-E3416 IonicContact NZ-OE1 3.6Å; K3414-E3416 PolarHBondContact NZ-OE1 3.47Å; K3414-E3416 IonicContact NZ-OE2 3.58Å; K3414-E3416 PolarHBondContact NZ-OE2 3.3Å; E3416-I3421 HydrophobicContact CB-CG1 4.17Å; E3416-I3421 HydrophobicContact CG-CG1 3.89Å; E3416-I3421 VanDerWaalsContact OE1-CD1 3.28Å; E3416-I3421 WeakPolarHBondContact OE1-CD1 3.33Å; E3416-I3421 WeakPolarHBondContact OE1-CG1 3.46Å |
| 3417 | N | 87.8 | Confident | 88.5 | Confident | 17 Ų | 17 | 48.8 Ų | 48.8 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 178.4 | 163.5 | 74.9 | 17.8 | 0 | 0 | 0 | 108.6 | F3340 P3342 S3367 R3368 V3419 G3420 | F3340-N3417 PolarHBondContact O-ND2 2.74Å; P3342-N3417 HydrophobicContact CG-CB 4.24Å; S3367-N3417 PolarHBondContact OG-ND2 2.86Å; R3368-N3417 PolarHBondContact O-ND2 3.38Å; N3417-V3419 PolarHBondContact O-N 2.81Å; N3417-V3419 WeakPolarHBondContact OD1-CA 3.47Å; N3417-V3419 PolarHBondContact OD1-N 2.95Å; N3417-G3420 PolarHBondContact N-O 2.8Å; N3417-G3420 PolarHBondContact O-N 2.98Å; N3417-G3420 VanDerWaalsContact O-N 3.12Å; N3417-G3420 VanDerWaalsContact O-O 3.07Å; N3417-G3420 PolarHBondContact OD1-N 3.3Å |
| 3418 | E | 85.2 | Confident | 89.3 | Confident | 87 Ų | 87 | 44.6 Ų | 44.6 | 41% | 0.407 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -14.6 | -177.8 | 52.3 | -168.9 | -175.8 | 0 | 0 | 115.6 | E2582 K3339 P3369 | E2582-E3418 HydrophobicContact CG-CB 3.89Å; K3339-E3418 HydrophobicContact CD-CG 4.09Å; K3339-E3418 WeakPolarHBondContact CD-OE1 3.5Å; K3339-E3418 WeakPolarHBondContact CE-OE1 3.48Å; K3339-E3418 WeakPolarHBondContact CG-OE1 3.4Å; K3339-E3418 IonicContact NZ-OE1 2.67Å; K3339-E3418 PolarHBondContact NZ-OE1 3.39Å; K3339-E3418 IonicContact NZ-OE2 2.68Å; K3339-E3418 PolarHBondContact NZ-OE2 2.87Å; P3369-E3418 WeakPolarHBondContact CD-OE1 3.34Å; P3369-E3418 HydrophobicContact CG-CG 3.89Å; P3369-E3418 VanDerWaalsContact CG-OE1 3.23Å; P3369-E3418 WeakPolarHBondContact CG-OE1 3.19Å |
| 3419 | V | 80.2 | Confident | 89.3 | Confident | 54 Ų | 54 | 39.9 Ų | 39.9 | 33% | 0.327 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -15.5 | 177.8 | -168.2 | 0 | 0 | 0 | 0 | 112.8 | K3339 A3341 N3417 | K3339-V3419 HydrophobicContact CB-CG2 3.33Å; A3341-V3419 HydrophobicContact CB-CB 4.27Å; A3341-V3419 HydrophobicContact CB-CG1 4.18Å; N3417-V3419 PolarHBondContact O-N 2.81Å; N3417-V3419 WeakPolarHBondContact OD1-CA 3.47Å; N3417-V3419 PolarHBondContact OD1-N 2.95Å |
| 3420 | G | 81.8 | Confident | 88.9 | Confident | 22 Ų | 22 | 39.5 Ų | 39.5 | 23% | 0.227 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168 | -174.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | P3342 N3417 | P3342-G3420 VanDerWaalsContact CD-C 3.49Å; P3342-G3420 WeakPolarHBondContact CD-O 3.34Å; P3342-G3420 WeakPolarHBondContact CG-O 3.36Å; N3417-G3420 PolarHBondContact N-O 2.8Å; N3417-G3420 PolarHBondContact O-N 2.98Å; N3417-G3420 VanDerWaalsContact O-N 3.12Å; N3417-G3420 VanDerWaalsContact O-O 3.07Å; N3417-G3420 PolarHBondContact OD1-N 3.3Å |
| 3421 | I | 89.3 | Confident | 87.8 | Confident | 98 Ų | 98 | 40.4 Ų | 40.4 | 50% | 0.503 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 137.3 | -177 | -58.4 | 167.3 | 0 | 0 | 0 | 108.9 | K3414 A3415 E3416 V3423 | K3414-I3421 HydrophobicContact CD-CG2 4.33Å; K3414-I3421 HydrophobicContact CG-CG2 3.81Å; A3415-I3421 CarbonylContact O-C 3.57Å; A3415-I3421 WeakPolarHBondContact O-CA 3.22Å; E3416-I3421 HydrophobicContact CB-CG1 4.17Å; E3416-I3421 HydrophobicContact CG-CG1 3.89Å; E3416-I3421 VanDerWaalsContact OE1-CD1 3.28Å; E3416-I3421 WeakPolarHBondContact OE1-CD1 3.33Å; E3416-I3421 WeakPolarHBondContact OE1-CG1 3.46Å; I3421-V3423 HydrophobicContact CG2-CG2 4.27Å |
| 3422 | A | 87 | Confident | 86.4 | Confident | 21 Ų | 21 | 43.1 Ų | 43.1 | 17% | 0.174 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 153.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | P3342 F3344 A3415 | P3342-A3422 HydrophobicContact CB-CB 4.39Å; P3342-A3422 VanDerWaalsContact O-CB 3.25Å; P3342-A3422 WeakPolarHBondContact O-CB 3.35Å; F3344-A3422 HydrophobicContact CD2-CB 3.94Å; F3344-A3422 HydrophobicContact CE2-CB 3.65Å; A3415-A3422 PolarHBondContact N-O 2.75Å; A3415-A3422 PolarHBondContact O-N 3.29Å |
| 3423 | V | 93.5 | Very high | 85.2 | Confident | 89 Ų | 89 | 46.4 Ų | 46.4 | 54% | 0.539 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 142.3 | 176.9 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | V3412 V3413 K3414 I3421 | V3412-V3423 HydrophobicContact CG1-CG1 3.41Å; V3412-V3423 VanDerWaalsContact CG1-CG1 3.41Å; V3413-V3423 WeakPolarHBondContact O-CA 3.41Å; K3414-V3423 HydrophobicContact CG-CG2 4.33Å; I3421-V3423 HydrophobicContact CG2-CG2 4.27Å |
| 3424 | D | 93.9 | Very high | 84.3 | Confident | 20 Ų | 20 | 52.7 Ų | 52.7 | 11% | 0.107 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 151 | 175.9 | -156.3 | 63 | 0 | 0 | 0 | 109.2 | F3344 K3347 L3348 V3412 V3413 | F3344-D3424 HydrophobicContact CD1-CB 3.99Å; F3344-D3424 HydrophobicContact CD2-CB 3.81Å; F3344-D3424 HydrophobicContact CE1-CB 4Å; F3344-D3424 HydrophobicContact CE2-CB 3.8Å; F3344-D3424 HydrophobicContact CG-CB 3.92Å; F3344-D3424 HydrophobicContact CZ-CB 3.9Å; K3347-D3424 WeakPolarHBondContact CA-OD2 3.4Å; K3347-D3424 VanDerWaalsContact CB-OD2 3.28Å; K3347-D3424 WeakPolarHBondContact CB-OD2 3.23Å; K3347-D3424 IonicContact NZ-OD1 2.84Å; K3347-D3424 PolarHBondContact NZ-OD1 2.81Å; L3348-D3424 PolarHBondContact N-OD2 3.18Å; V3412-D3424 WeakPolarHBondContact CA-O 3.02Å; V3413-D3424 HydrophobicContact CG1-CB 4.27Å; V3413-D3424 PolarHBondContact N-O 2.86Å; V3413-D3424 PolarHBondContact O-N 2.86Å; V3413-D3424 VanDerWaalsContact O-N 3.09Å |
| 3425 | S | 93.9 | Very high | 83.6 | Confident | 74 Ų | 74 | 54.9 Ų | 54.9 | 52% | 0.517 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 155.1 | -172.5 | 61.8 | 0 | 0 | 0 | 0 | 114.1 | V3411 | V3411-S3425 CarbonylContact O-C 3.55Å; V3411-S3425 VanDerWaalsContact O-CA 3.24Å; V3411-S3425 WeakPolarHBondContact O-CA 3.24Å; V3411-S3425 WeakPolarHBondContact O-CB 3.48Å |
| 3426 | A | 92 | Very high | 83.3 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 7% | 0.066 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 168.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L3348 M3361 V3411 | L3348-A3426 HydrophobicContact CB-CB 3.7Å; M3361-A3426 HydrophobicContact CE-CB 3.9Å; V3411-A3426 PolarHBondContact N-O 3.44Å; V3411-A3426 PolarHBondContact O-N 3.11Å |
| 3427 | I | 89 | Confident | 83.3 | Confident | 83 Ų | 83 | 54.3 Ų | 54.3 | 43% | 0.426 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 140.3 | -179.1 | -60 | 171.8 | 0 | 0 | 0 | 110 | P3350 L3351 Q3408 Y3409 | P3350-I3427 VanDerWaalsContact CA-O 3.31Å; P3350-I3427 WeakPolarHBondContact CA-O 3.33Å; L3351-I3427 PolarHBondContact N-O 2.81Å; Q3408-I3427 HydrophobicContact CB-CG2 4.34Å; Q3408-I3427 HydrophobicContact CG-CG2 4.42Å; Y3409-I3427 WeakPolarHBondContact O-CA 3.28Å |
| 3428 | V | 87.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 133.3 | 172.6 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | L3351 V3353 V3359 M3361 F3401 Q3408 Y3409 V3411 | L3351-V3428 CarbonylContact O-C 3.57Å; L3351-V3428 VanDerWaalsContact O-CA 3.3Å; L3351-V3428 WeakPolarHBondContact O-CA 3.24Å; V3353-V3428 HydrophobicContact CG2-CG1 4.04Å; V3359-V3428 HydrophobicContact CG1-CG1 4.18Å; V3359-V3428 HydrophobicContact CG1-CG2 4.06Å; V3359-V3428 HydrophobicContact CG2-CG1 3.83Å; M3361-V3428 HydrophobicContact CE-CG2 4.49Å; M3361-V3428 HydrophobicContact SD-CG2 3.47Å; M3361-V3428 WeakPolarHBondContact SD-CG2 3.47Å; F3401-V3428 HydrophobicContact CZ-CG2 4.41Å; Q3408-V3428 VanDerWaalsContact CA-O 3.26Å; Q3408-V3428 WeakPolarHBondContact CA-O 3.45Å; Y3409-V3428 PolarHBondContact N-O 2.91Å; Y3409-V3428 PolarHBondContact O-N 2.85Å; V3411-V3428 HydrophobicContact CG2-CG2 4Å |
| 3429 | S | 79.3 | Confident | 83.6 | Confident | 35 Ų | 35 | 54.2 Ų | 54.2 | 25% | 0.245 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 157.4 | 177.9 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | L3351 S3352 V3353 | L3351-S3429 PolarHBondContact O-N 3.39Å; L3351-S3429 PolarHBondContact O-OG 2.82Å; S3352-S3429 WeakPolarHBondContact CA-O 3.45Å; S3352-S3429 VanDerWaalsContact CB-OG 3.29Å; S3352-S3429 WeakPolarHBondContact CB-OG 3.31Å; S3352-S3429 PolarHBondContact OG-O 2.74Å; S3352-S3429 PolarHBondContact OG-OG 2.76Å; V3353-S3429 WeakPolarHBondContact CG2-O 3.49Å; V3353-S3429 PolarHBondContact N-O 3.37Å |
| 3430 | F | 74.9 | Confident | 83.8 | Confident | 20 Ų | 20 | 56.4 Ų | 56.4 | 9% | 0.088 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 132.7 | 175.5 | -68.3 | -87 | 0 | 0 | 0 | 112.1 | V3353 P3355 P3406 K3407 Y3409 | V3353-F3430 HydrophobicContact CG2-CD1 3.62Å; V3353-F3430 HydrophobicContact CG2-CE1 3.46Å; V3353-F3430 VanDerWaalsContact CG2-CE1 3.46Å; V3353-F3430 HydrophobicContact CG2-CG 4.31Å; V3353-F3430 HydrophobicContact CG2-CZ 4.01Å; V3353-F3430 VanDerWaalsContact O-CA 3.32Å; V3353-F3430 WeakPolarHBondContact O-CA 3.19Å; P3355-F3430 HydrophobicContact CG-CB 4.44Å; P3355-F3430 HydrophobicContact CG-CD1 4.48Å; P3406-F3430 HydrophobicContact CB-CB 3.86Å; P3406-F3430 HydrophobicContact CB-CG 4.26Å; K3407-F3430 WeakPolarHBondContact O-CD2 3.44Å; Y3409-F3430 AromaticContact CD2-CE2 3.84Å; Y3409-F3430 HydrophobicContact CD2-CE2 3.84Å; Y3409-F3430 AromaticContact CE2-CE2 3.78Å; Y3409-F3430 HydrophobicContact CE2-CE2 3.78Å |
| 3431 | D | 66.7 | Low | 83.9 | Confident | 84 Ų | 84 | 57.4 Ų | 57.4 | 45% | 0.449 | 32% | 0.323 | S | S | . | . | trans | -91 | 121.9 | 177.7 | -69.5 | -68.2 | 0 | 0 | 0 | 111.4 | S3352 V3353 P3355 | S3352-D3431 PolarHBondContact OG-OD2 2.81Å; V3353-D3431 PolarHBondContact O-N 2.83Å; V3353-D3431 VanDerWaalsContact O-N 3.14Å; P3355-D3431 WeakPolarHBondContact CD-O 3.44Å | ||
| 3432 | L | 63.7 | Low | 83.3 | Confident | 57 Ų | 57 | 60.3 Ų | 60.3 | 30% | 0.298 | 34% | 0.335 | S | S | . | . | trans | -113.6 | 145 | -172 | -83.9 | 172.1 | 0 | 0 | 0 | 114.4 | P3355 P3406 Y3463 | P3355-L3432 HydrophobicContact CG-CD2 3.79Å; P3355-L3432 HydrophobicContact CG-CG 4.44Å; P3406-L3432 HydrophobicContact CB-CD1 3.84Å; P3406-L3432 HydrophobicContact CB-CD2 3.89Å; P3406-L3432 HydrophobicContact CB-CG 3.93Å; P3406-L3432 HydrophobicContact CG-CD1 3.77Å; P3406-L3432 HydrophobicContact CG-CD2 3.89Å; P3406-L3432 HydrophobicContact CG-CG 4.21Å; L3432-Y3463 HydrophobicContact CB-CD1 3.85Å; L3432-Y3463 HydrophobicContact CB-CD2 4.43Å; L3432-Y3463 HydrophobicContact CB-CE1 3.38Å; L3432-Y3463 HydrophobicContact CB-CE2 4.02Å; L3432-Y3463 HydrophobicContact CB-CG 4.36Å; L3432-Y3463 VanDerWaalsContact CB-CZ 3.47Å; L3432-Y3463 HydrophobicContact CD1-CD2 3.98Å; L3432-Y3463 HydrophobicContact CD1-CE1 4.45Å; L3432-Y3463 HydrophobicContact CD1-CE2 3.53Å; L3432-Y3463 HydrophobicContact CG-CE2 4.46Å; L3432-Y3463 WeakPolarHBondContact O-CE1 3.39Å | ||
| 3433 | P | 70 | Confident | 82.5 | Confident | 101 Ų | 101 | 62.3 Ų | 62.3 | 66% | 0.656 | 35% | 0.346 | S | S | * | . | trans | -80.1 | 138.5 | 178.2 | 32.4 | -34.3 | 0 | 0 | 0 | 112.9 | Y3463 | P3433-Y3463 WeakPolarHBondContact O-CD1 3.35Š| ||
| 3434 | K | 74.5 | Confident | 81.7 | Confident | 132 Ų | 132 | 65.8 Ų | 65.8 | 57% | 0.574 | 35% | 0.354 | S | S | * | . | trans | -69 | 139.6 | -179.5 | -57.1 | -172.2 | 176.5 | -161.8 | 0 | 112.7 | Y3463 E3513 V3514 | K3434-Y3463 CarbonylContact C-O 3.57Å; K3434-Y3463 VanDerWaalsContact CA-O 3.32Å; K3434-Y3463 WeakPolarHBondContact CA-O 3.13Å; K3434-E3513 VanDerWaalsContact CD-OE1 3.26Å; K3434-E3513 WeakPolarHBondContact CD-OE1 3.18Å; K3434-E3513 WeakPolarHBondContact CE-OE1 3.38Å; K3434-E3513 IonicContact NZ-OE1 2.64Å; K3434-E3513 PolarHBondContact NZ-OE1 2.75Å; K3434-E3513 IonicContact NZ-OE2 2.65Å; K3434-E3513 PolarHBondContact NZ-OE2 3.25Å; K3434-V3514 HydrophobicContact CB-CG2 3.86Å | ||
| 3435 | K | 81.2 | Confident | 81.3 | Confident | 91 Ų | 91 | 68.5 Ų | 68.5 | 40% | 0.396 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 130.7 | -170.5 | 177.9 | -176.6 | 179.2 | -176.2 | 0 | 111.1 | D3461 Y3463 N3512 | K3435-D3461 WeakPolarHBondContact CE-OD1 3.49Å; K3435-D3461 WeakPolarHBondContact CE-OD2 3.27Å; K3435-D3461 IonicContact NZ-OD1 3.49Å; K3435-D3461 PolarHBondContact NZ-OD1 2.86Å; K3435-D3461 IonicContact NZ-OD2 2.7Å; K3435-D3461 PolarHBondContact NZ-OD2 2.84Å; K3435-Y3463 PolarHBondContact N-O 2.88Å; K3435-Y3463 PolarHBondContact O-N 2.95Å; K3435-Y3463 VanDerWaalsContact O-O 3.06Å; K3435-N3512 PolarHBondContact O-ND2 3.02Å |
| 3436 | A | 86.8 | Confident | 80.8 | Confident | 38 Ų | 38 | 66.6 Ų | 66.6 | 31% | 0.314 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 156 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V3514 | A3436-V3514 HydrophobicContact CB-CB 4.04Å; A3436-V3514 HydrophobicContact CB-CG1 4.01Å |
| 3437 | P | 91.1 | Very high | 80.4 | Confident | 10 Ų | 10 | 71.4 Ų | 71.4 | 7% | 0.065 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 138.3 | -174.5 | -15.3 | 31.7 | 0 | 0 | 0 | 111.4 | D3461 P3466 A3510 N3512 G3515 A3517 | P3437-D3461 CarbonylContact C-O 3.54Å; P3437-D3461 WeakPolarHBondContact CA-O 3.49Å; P3437-P3466 HydrophobicContact CB-CB 3.89Å; P3437-P3466 HydrophobicContact CB-CG 4.31Å; P3437-P3466 HydrophobicContact CG-CB 3.89Å; P3437-A3510 HydrophobicContact CB-CB 3.91Å; P3437-N3512 WeakPolarHBondContact CD-OD1 3.26Å; P3437-N3512 HydrophobicContact CG-CB 4.29Å; P3437-G3515 VanDerWaalsContact CD-C 3.42Å; P3437-G3515 WeakPolarHBondContact CD-O 3.45Å; P3437-G3515 VanDerWaalsContact CG-O 3.24Å; P3437-G3515 WeakPolarHBondContact CG-O 3.35Å; P3437-A3517 HydrophobicContact CB-CB 4.34Å; P3437-A3517 WeakPolarHBondContact O-CB 3.34Å |
| 3438 | T | 90.3 | Very high | 80.1 | Confident | 65 Ų | 65 | 68 Ų | 68 | 40% | 0.399 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 128.6 | 177.9 | -57.4 | 0 | 0 | 0 | 0 | 109.3 | L3440 V3460 D3461 | T3438-L3440 HydrophobicContact CG2-CD2 4.07Å; T3438-V3460 CarbonylContact O-C 3.5Å; T3438-V3460 VanDerWaalsContact O-CA 3.3Å; T3438-V3460 WeakPolarHBondContact O-CA 3.43Å; T3438-V3460 WeakPolarHBondContact O-CG1 3.33Å; T3438-D3461 PolarHBondContact N-O 2.82Å; T3438-D3461 PolarHBondContact O-N 2.77Å |
| 3439 | I | 89.6 | Confident | 79.6 | Confident | 36 Ų | 36 | 72.7 Ų | 72.7 | 19% | 0.185 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 119.4 | 176.4 | -61.1 | 172.1 | 0 | 0 | 0 | 108.6 | M3458 V3460 L3508 A3517 A3519 | I3439-M3458 HydrophobicContact CG2-CE 3.61Å; I3439-V3460 HydrophobicContact CG1-CG1 4.41Å; I3439-V3460 HydrophobicContact CG1-CG2 4.48Å; I3439-L3508 HydrophobicContact CD1-CD2 4.39Å; I3439-L3508 HydrophobicContact CD1-CG 4.42Å; I3439-A3517 HydrophobicContact CD1-CB 4.14Å; I3439-A3517 HydrophobicContact CG1-CB 4.04Å; I3439-A3519 HydrophobicContact CD1-CB 3.78Å; I3439-A3519 HydrophobicContact CG2-CB 4.16Å |
| 3440 | L | 84.1 | Confident | 79.3 | Confident | 100 Ų | 100 | 80.3 Ų | 80.3 | 52% | 0.524 | 40% | 0.403 | S | S | . | . | trans | -91 | -23.6 | -173.4 | -57 | 177.6 | 0 | 0 | 0 | 113 | T3438 L3459 D3461 | T3438-L3440 HydrophobicContact CG2-CD2 4.07Å; L3440-L3459 HydrophobicContact CB-CB 3.98Å; L3440-L3459 HydrophobicContact CD1-CB 4.46Å; L3440-L3459 PolarHBondContact N-O 3.01Å; L3440-D3461 HydrophobicContact CD1-CB 4.01Å; L3440-D3461 HydrophobicContact CD2-CB 4.47Å; L3440-D3461 HydrophobicContact CG-CB 4.24Å | ||
| 3441 | T | 82.9 | Confident | 79.2 | Confident | 43 Ų | 43 | 81.2 Ų | 81.2 | 26% | 0.264 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -82.4 | 126.2 | 179.5 | -65.2 | 0 | 0 | 0 | 0 | 112.1 | M3458 L3459 | T3441-M3458 HydrophobicContact CG2-CE 4.04Å; T3441-M3458 HydrophobicContact CG2-CG 4.32Å; T3441-M3458 WeakPolarHBondContact O-CE 3.31Å; T3441-M3458 WeakPolarHBondContact OG1-CA 3.35Å; T3441-L3459 PolarHBondContact OG1-N 2.66Å |
| 3442 | Q | 76 | Confident | 79.8 | Confident | 159 Ų | 159 | 80.7 Ų | 80.7 | 74% | 0.743 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 123.8 | 170 | -68.7 | -174.1 | -5.5 | 0 | 0 | 111.3 | ||
| 3443 | P | 71.4 | Confident | 80.8 | Confident | 64 Ų | 64 | 85.1 Ų | 85.1 | 42% | 0.416 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 145.5 | 176.5 | 28.9 | -34.7 | 0 | 0 | 0 | 112 | R3520 I3521 | P3443-R3520 WeakPolarHBondContact CB-O 3.21Å; P3443-I3521 HydrophobicContact CB-CD1 4.35Å; P3443-I3521 HydrophobicContact CB-CG1 3.49Å; P3443-I3521 VanDerWaalsContact CB-CG1 3.49Å |
| 3444 | K | 76.4 | Confident | 81.6 | Confident | 161 Ų | 161 | 80.4 Ų | 80.4 | 70% | 0.7 | 40% | 0.396 | S | S | * | . | trans | -135.8 | 145.7 | 179.1 | -65.9 | 177.2 | -177 | 171.6 | 0 | 110.3 | I3521 | K3444-I3521 WeakPolarHBondContact O-CG2 3.4Š| ||
| 3445 | T | 84.7 | Confident | 82.3 | Confident | 78 Ų | 78 | 78.2 Ų | 78.2 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | trans | -65.4 | 135.4 | 175.6 | -52.1 | 0 | 0 | 0 | 0 | 111.6 | N3522 | T3445-N3522 WeakPolarHBondContact CA-O 3.42Å; T3445-N3522 HydrophobicContact CG2-CB 4.11Å | ||
| 3446 | I | 84.8 | Confident | 82.6 | Confident | 33 Ų | 33 | 75 Ų | 75 | 17% | 0.169 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 134.1 | 177.7 | -59.7 | 177.8 | 0 | 0 | 0 | 109.9 | I3448 I3454 L3456 I3521 N3522 V3523 H3524 | I3446-I3448 HydrophobicContact CG2-CB 4.08Å; I3446-I3448 HydrophobicContact CG2-CG2 4.07Å; I3446-I3454 HydrophobicContact CD1-CD1 4.48Å; I3446-I3454 HydrophobicContact CD1-CG2 3.84Å; I3446-L3456 HydrophobicContact CD1-CD1 3.89Å; I3446-L3456 HydrophobicContact CD1-CD2 3.93Å; I3446-L3456 HydrophobicContact CD1-CG 3.83Å; I3446-I3521 HydrophobicContact CD1-CG2 4.04Å; I3446-I3521 HydrophobicContact CG1-CG2 4.15Å; I3446-N3522 PolarHBondContact N-O 2.92Å; I3446-V3523 HydrophobicContact CB-CG2 4.45Å; I3446-V3523 CarbonylContact O-C 3.6Å; I3446-V3523 WeakPolarHBondContact O-CA 3.47Å; I3446-H3524 PolarHBondContact O-N 3.21Å |
| 3447 | N | 83 | Confident | 82.8 | Confident | 109 Ų | 109 | 75.9 Ų | 75.9 | 58% | 0.583 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 126.6 | 166.8 | -54.6 | -73.5 | 0 | 0 | 0 | 107.9 | H3524 L3526 | N3447-H3524 PolarHBondContact OD1-CD2 2.79Å; N3447-L3526 HydrophobicContact CB-CD1 4.37Å |
| 3448 | I | 81.8 | Confident | 82.7 | Confident | 12 Ų | 12 | 75.5 Ų | 75.5 | 6% | 0.062 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 155.6 | -167.4 | -174.2 | 161.6 | 0 | 0 | 0 | 111.1 | I3446 E3452 Y3453 I3454 T3498 V3523 H3524 L3525 L3526 | I3446-I3448 HydrophobicContact CG2-CB 4.08Å; I3446-I3448 HydrophobicContact CG2-CG2 4.07Å; I3448-E3452 HydrophobicContact CD1-CB 3.84Å; I3448-E3452 HydrophobicContact CG1-CB 3.52Å; I3448-Y3453 VanDerWaalsContact CD1-C 3.4Å; I3448-Y3453 WeakPolarHBondContact CD1-O 3.41Å; I3448-I3454 HydrophobicContact CD1-CG1 3.67Å; I3448-T3498 HydrophobicContact CD1-CG2 3.86Å; I3448-T3498 HydrophobicContact CG1-CG2 4.16Å; I3448-T3498 HydrophobicContact CG2-CG2 3.8Å; I3448-V3523 HydrophobicContact CG2-CG1 4.04Å; I3448-H3524 WeakPolarHBondContact CG2-O 3.48Å; I3448-H3524 PolarHBondContact N-O 2.81Å; I3448-L3525 HydrophobicContact CG2-CD2 4.33Å; I3448-L3525 CarbonylContact O-C 3.55Å; I3448-L3525 WeakPolarHBondContact O-CA 3.42Å; I3448-L3526 PolarHBondContact O-N 3.5Å |
| 3449 | R | 78.3 | Confident | 82.6 | Confident | 99 Ų | 99 | 75.9 Ų | 75.9 | 37% | 0.374 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 160.4 | 172.4 | -57.7 | -170.5 | -179.3 | 96.8 | -2.3 | 112.9 | G3451 E3452 T3498 L3526 | R3449-G3451 PolarHBondContact O-N 3.05Å; R3449-E3452 VanDerWaalsContact CB-CD 3.4Å; R3449-E3452 HydrophobicContact CB-CG 3.98Å; R3449-E3452 WeakPolarHBondContact CB-OE2 3.37Å; R3449-E3452 WeakPolarHBondContact CD-OE1 3.4Å; R3449-E3452 WeakPolarHBondContact CG-OE1 3.35Å; R3449-E3452 IonicContact CZ-OE1 3.78Å; R3449-E3452 PolarHBondContact N-OE2 2.78Å; R3449-E3452 IonicContact NE-OE1 3.98Å; R3449-E3452 IonicContact NH1-OE1 2.82Å; R3449-E3452 PolarHBondContact NH1-OE1 3.25Å; R3449-E3452 WeakPolarHBondContact O-CB 3.13Å; R3449-E3452 PolarHBondContact O-N 3.01Å; R3449-E3452 VanDerWaalsContact O-N 3.11Å; R3449-T3498 PolarHBondContact O-OG1 2.94Å; R3449-T3498 VanDerWaalsContact O-OG1 3.1Å; R3449-L3526 WeakPolarHBondContact CA-O 3.4Å; R3449-L3526 WeakPolarHBondContact CB-O 3.32Å; R3449-L3526 HydrophobicContact CG-CB 3.97Å |
| 3450 | R | 73.5 | Confident | 82.6 | Confident | 194 Ų | 194 | 74.2 Ų | 74.2 | 73% | 0.732 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 119.5 | 170.6 | -117.3 | 173.5 | 177.3 | 163.7 | -3.3 | 111.1 | L3525 L3526 | R3450-L3525 HydrophobicContact CB-CD2 4.49Å; R3450-L3525 HydrophobicContact CG-CD2 4.2Å; R3450-L3526 PolarHBondContact N-O 2.93Å |
| 3451 | G | 71.3 | Confident | 82.8 | Confident | 39 Ų | 39 | 72 Ų | 72 | 40% | 0.402 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -4.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | R3449 T3498 | R3449-G3451 PolarHBondContact O-N 3.05Å; G3451-T3498 PolarHBondContact N-OG1 3.41Å |
| 3452 | E | 79.4 | Confident | 82.8 | Confident | 74 Ų | 74 | 70.5 Ų | 70.5 | 35% | 0.346 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 157.1 | 166 | -71.6 | 170.3 | -177.9 | 0 | 0 | 110.1 | I3448 R3449 T3498 | I3448-E3452 HydrophobicContact CD1-CB 3.84Å; I3448-E3452 HydrophobicContact CG1-CB 3.52Å; R3449-E3452 VanDerWaalsContact CB-CD 3.4Å; R3449-E3452 HydrophobicContact CB-CG 3.98Å; R3449-E3452 WeakPolarHBondContact CB-OE2 3.37Å; R3449-E3452 WeakPolarHBondContact CD-OE1 3.4Å; R3449-E3452 WeakPolarHBondContact CG-OE1 3.35Å; R3449-E3452 IonicContact CZ-OE1 3.78Å; R3449-E3452 PolarHBondContact N-OE2 2.78Å; R3449-E3452 IonicContact NE-OE1 3.98Å; R3449-E3452 IonicContact NH1-OE1 2.82Å; R3449-E3452 PolarHBondContact NH1-OE1 3.25Å; R3449-E3452 WeakPolarHBondContact O-CB 3.13Å; R3449-E3452 PolarHBondContact O-N 3.01Å; R3449-E3452 VanDerWaalsContact O-N 3.11Å; E3452-T3498 PolarHBondContact N-OG1 3.3Å; E3452-T3498 WeakPolarHBondContact O-CG2 3.44Å; E3452-T3498 PolarHBondContact O-N 3.46Å; E3452-T3498 VanDerWaalsContact O-N 3.07Å; E3452-T3498 PolarHBondContact O-OG1 2.89Å |
| 3453 | Y | 84.7 | Confident | 83 | Confident | 149 Ų | 149 | 67 Ų | 67 | 58% | 0.584 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 135.9 | -177.4 | -73.9 | -100.1 | 0 | 0 | 0 | 112.6 | I3448 F3496 | I3448-Y3453 VanDerWaalsContact CD1-C 3.4Å; I3448-Y3453 WeakPolarHBondContact CD1-O 3.41Å; Y3453-F3496 WeakPolarHBondContact CA-O 3.04Å |
| 3454 | I | 87.1 | Confident | 83.4 | Confident | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.015 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 130.6 | 163.8 | -66.8 | -177.4 | 0 | 0 | 0 | 107.8 | I3446 I3448 L3456 V3495 F3496 T3498 A3503 I3506 V3523 | I3446-I3454 HydrophobicContact CD1-CD1 4.48Å; I3446-I3454 HydrophobicContact CD1-CG2 3.84Å; I3448-I3454 HydrophobicContact CD1-CG1 3.67Å; I3454-L3456 HydrophobicContact CG2-CD1 3.96Å; I3454-L3456 HydrophobicContact CG2-CG 3.93Å; I3454-V3495 CarbonylContact O-C 3.59Å; I3454-V3495 VanDerWaalsContact O-CA 3.27Å; I3454-V3495 WeakPolarHBondContact O-CA 3.49Å; I3454-F3496 HydrophobicContact CB-CD1 4.29Å; I3454-F3496 HydrophobicContact CB-CE1 3.96Å; I3454-F3496 HydrophobicContact CB-CE2 4.46Å; I3454-F3496 HydrophobicContact CB-CZ 4.07Å; I3454-F3496 HydrophobicContact CD1-CE1 4.38Å; I3454-F3496 HydrophobicContact CD1-CE2 3.97Å; I3454-F3496 HydrophobicContact CD1-CZ 3.66Å; I3454-F3496 HydrophobicContact CG1-CZ 4.34Å; I3454-F3496 HydrophobicContact CG2-CD1 4.4Å; I3454-F3496 HydrophobicContact CG2-CE1 3.8Å; I3454-F3496 HydrophobicContact CG2-CZ 4.16Å; I3454-F3496 PolarHBondContact N-O 2.9Å; I3454-F3496 PolarHBondContact O-N 2.94Å; I3454-T3498 HydrophobicContact CD1-CG2 4.09Å; I3454-T3498 HydrophobicContact CG1-CG2 4.04Å; I3454-A3503 HydrophobicContact CD1-CB 4.37Å; I3454-I3506 HydrophobicContact CD1-CD1 4.27Å; I3454-I3506 HydrophobicContact CG2-CD1 4.31Å; I3454-V3523 HydrophobicContact CD1-CG1 3.84Å; I3454-V3523 HydrophobicContact CD1-CG2 4.02Å |
| 3455 | D | 89.4 | Confident | 83.7 | Confident | 85 Ų | 85 | 60.8 Ų | 60.8 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 110.1 | 170.7 | -175.5 | -8.1 | 0 | 0 | 0 | 107.4 | R3493 V3495 | D3455-R3493 IonicContact OD1-CZ 2.67Å; D3455-R3493 IonicContact OD1-NE 3.58Å; D3455-R3493 PolarHBondContact OD1-NE 2.82Å; D3455-R3493 IonicContact OD1-NH2 3.68Å; D3455-R3493 PolarHBondContact OD1-NH2 2.77Å; D3455-R3493 IonicContact OD2-CZ 3.53Å; D3455-R3493 IonicContact OD2-NE 3.46Å; D3455-R3493 IonicContact OD2-NH2 3.37Å; D3455-R3493 PolarHBondContact OD2-NH2 2.91Å; D3455-V3495 HydrophobicContact CB-CG2 4.37Å |
| 3456 | L | 88.7 | Confident | 83.8 | Confident | 23 Ų | 23 | 57.6 Ų | 57.6 | 12% | 0.12 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 119.6 | -174.7 | -92 | 173.6 | 0 | 0 | 0 | 109.9 | I3446 I3454 W3470 R3493 L3494 I3506 I3521 | I3446-L3456 HydrophobicContact CD1-CD1 3.89Å; I3446-L3456 HydrophobicContact CD1-CD2 3.93Å; I3446-L3456 HydrophobicContact CD1-CG 3.83Å; I3454-L3456 HydrophobicContact CG2-CD1 3.96Å; I3454-L3456 HydrophobicContact CG2-CG 3.93Å; L3456-W3470 HydrophobicContact CB-CH2 4.33Å; L3456-R3493 CarbonylContact O-C 3.57Å; L3456-R3493 WeakPolarHBondContact O-CA 3.22Å; L3456-R3493 WeakPolarHBondContact O-CG 3.3Å; L3456-L3494 PolarHBondContact N-O 2.83Å; L3456-L3494 PolarHBondContact O-N 3.01Å; L3456-I3506 HydrophobicContact CD1-CB 4.47Å; L3456-I3506 HydrophobicContact CD1-CD1 3.56Å; L3456-I3506 HydrophobicContact CD1-CG2 4.14Å; L3456-I3521 HydrophobicContact CD1-CD1 3.8Å; L3456-I3521 HydrophobicContact CD1-CG2 4.16Å; L3456-I3521 HydrophobicContact CD2-CD1 3.71Å; L3456-I3521 HydrophobicContact CG-CD1 4.38Å |
| 3457 | T | 89.8 | Confident | 83.9 | Confident | 58 Ų | 58 | 62.9 Ų | 62.9 | 36% | 0.356 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 130.9 | 173.5 | -56.2 | 0 | 0 | 0 | 0 | 110.2 | Q3491 R3493 | T3457-Q3491 VanDerWaalsContact CG2-CD 3.47Å; T3457-Q3491 HydrophobicContact CG2-CG 3.67Å; T3457-R3493 HydrophobicContact CG2-CB 4.42Å; T3457-R3493 WeakPolarHBondContact OG1-CD 3.34Å; T3457-R3493 WeakPolarHBondContact OG1-CG 3.36Å |
| 3458 | M | 88.8 | Confident | 84.3 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 135.2 | 177.4 | -62 | -157.7 | 78.2 | 0 | 0 | 110.7 | I3439 T3441 W3470 Q3491 A3492 L3508 A3519 I3521 | I3439-M3458 HydrophobicContact CG2-CE 3.61Å; T3441-M3458 HydrophobicContact CG2-CE 4.04Å; T3441-M3458 HydrophobicContact CG2-CG 4.32Å; T3441-M3458 WeakPolarHBondContact O-CE 3.31Å; T3441-M3458 WeakPolarHBondContact OG1-CA 3.35Å; M3458-W3470 HydrophobicContact CG-CH2 4Å; M3458-W3470 HydrophobicContact SD-CH2 4.17Å; M3458-Q3491 CarbonylContact O-C 3.58Å; M3458-Q3491 WeakPolarHBondContact O-CA 3.34Å; M3458-A3492 PolarHBondContact N-O 2.89Å; M3458-A3492 PolarHBondContact O-N 2.62Å; M3458-A3492 VanDerWaalsContact O-O 3.09Å; M3458-L3508 HydrophobicContact CB-CD2 3.68Å; M3458-L3508 HydrophobicContact CG-CD2 4.19Å; M3458-L3508 HydrophobicContact SD-CB 4.17Å; M3458-L3508 HydrophobicContact SD-CD2 3.84Å; M3458-A3519 HydrophobicContact CE-CB 3.69Å; M3458-A3519 HydrophobicContact SD-CB 4.11Å; M3458-I3521 HydrophobicContact SD-CD1 3.94Å |
| 3459 | L | 89.2 | Confident | 84.7 | Confident | 73 Ų | 73 | 58.9 Ų | 58.9 | 38% | 0.382 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 139.5 | 175.3 | -62.8 | 173.7 | 0 | 0 | 0 | 109.8 | L3440 T3441 S3490 Q3491 | L3440-L3459 HydrophobicContact CB-CB 3.98Å; L3440-L3459 HydrophobicContact CD1-CB 4.46Å; L3440-L3459 PolarHBondContact N-O 3.01Å; T3441-L3459 PolarHBondContact OG1-N 2.66Å; L3459-S3490 WeakPolarHBondContact CA-O 3.33Å; L3459-Q3491 HydrophobicContact CD2-CB 4.14Å; L3459-Q3491 HydrophobicContact CD2-CG 4.13Å |
| 3460 | V | 89.8 | Confident | 85.4 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 160.7 | -177.4 | -163.8 | 0 | 0 | 0 | 0 | 108.8 | T3438 I3439 P3466 L3468 S3490 L3508 A3510 | T3438-V3460 CarbonylContact O-C 3.5Å; T3438-V3460 VanDerWaalsContact O-CA 3.3Å; T3438-V3460 WeakPolarHBondContact O-CA 3.43Å; T3438-V3460 WeakPolarHBondContact O-CG1 3.33Å; I3439-V3460 HydrophobicContact CG1-CG1 4.41Å; I3439-V3460 HydrophobicContact CG1-CG2 4.48Å; V3460-P3466 HydrophobicContact CG1-CG 3.86Å; V3460-L3468 HydrophobicContact CB-CD2 4.24Å; V3460-L3468 HydrophobicContact CG1-CD2 3.92Å; V3460-L3468 HydrophobicContact CG2-CD1 4.29Å; V3460-L3468 HydrophobicContact CG2-CD2 4.01Å; V3460-S3490 PolarHBondContact N-O 2.81Å; V3460-S3490 CarbonylContact O-C 3.52Å; V3460-S3490 VanDerWaalsContact O-CA 3.24Å; V3460-S3490 WeakPolarHBondContact O-CA 3.29Å; V3460-S3490 VanDerWaalsContact O-O 3.14Å; V3460-L3508 HydrophobicContact CG2-CD2 4.2Å; V3460-A3510 HydrophobicContact CG1-CB 3.85Å |
| 3461 | D | 86.6 | Confident | 86.3 | Confident | 53 Ų | 53 | 48.2 Ų | 48.2 | 28% | 0.283 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 125.8 | -174.2 | 175.6 | 12.7 | 0 | 0 | 0 | 110.3 | K3435 P3437 T3438 L3440 | K3435-D3461 WeakPolarHBondContact CE-OD1 3.49Å; K3435-D3461 WeakPolarHBondContact CE-OD2 3.27Å; K3435-D3461 IonicContact NZ-OD1 3.49Å; K3435-D3461 PolarHBondContact NZ-OD1 2.86Å; K3435-D3461 IonicContact NZ-OD2 2.7Å; K3435-D3461 PolarHBondContact NZ-OD2 2.84Å; P3437-D3461 CarbonylContact C-O 3.54Å; P3437-D3461 WeakPolarHBondContact CA-O 3.49Å; T3438-D3461 PolarHBondContact N-O 2.82Å; T3438-D3461 PolarHBondContact O-N 2.77Å; L3440-D3461 HydrophobicContact CD1-CB 4.01Å; L3440-D3461 HydrophobicContact CD2-CB 4.47Å; L3440-D3461 HydrophobicContact CG-CB 4.24Å |
| 3462 | G | 84.1 | Confident | 87.2 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 12% | 0.124 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179 | 161 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 3463 | Y | 79.5 | Confident | 87.6 | Confident | 84 Ų | 84 | 46.7 Ų | 46.7 | 33% | 0.329 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 129 | 175.9 | -169.2 | -98.4 | 0 | 0 | 0 | 112.3 | L3432 P3433 K3434 K3435 | L3432-Y3463 HydrophobicContact CB-CD1 3.85Å; L3432-Y3463 HydrophobicContact CB-CD2 4.43Å; L3432-Y3463 HydrophobicContact CB-CE1 3.38Å; L3432-Y3463 HydrophobicContact CB-CE2 4.02Å; L3432-Y3463 HydrophobicContact CB-CG 4.36Å; L3432-Y3463 VanDerWaalsContact CB-CZ 3.47Å; L3432-Y3463 HydrophobicContact CD1-CD2 3.98Å; L3432-Y3463 HydrophobicContact CD1-CE1 4.45Å; L3432-Y3463 HydrophobicContact CD1-CE2 3.53Å; L3432-Y3463 HydrophobicContact CG-CE2 4.46Å; L3432-Y3463 WeakPolarHBondContact O-CE1 3.39Å; P3433-Y3463 WeakPolarHBondContact O-CD1 3.35Å; K3434-Y3463 CarbonylContact C-O 3.57Å; K3434-Y3463 VanDerWaalsContact CA-O 3.32Å; K3434-Y3463 WeakPolarHBondContact CA-O 3.13Å; K3435-Y3463 PolarHBondContact N-O 2.88Å; K3435-Y3463 PolarHBondContact O-N 2.95Å; K3435-Y3463 VanDerWaalsContact O-O 3.06Å |
| 3464 | P | 80.6 | Confident | 87.6 | Confident | 41 Ų | 41 | 41.9 Ų | 41.9 | 27% | 0.266 | 23% | 0.229 | S | C | . | . | S | Bend | cis | -54 | 159.5 | -9.3 | -24 | 35 | 0 | 0 | 0 | 112.4 | N3512 E3513 | P3464-N3512 PolarHBondContact O-ND2 3.1Å; P3464-E3513 WeakPolarHBondContact CD-OE1 3.44Å; P3464-E3513 HydrophobicContact CG-CG 4.38Å; P3464-E3513 WeakPolarHBondContact CG-OE1 3.35Å |
| 3465 | P | 82.4 | Confident | 87.6 | Confident | 55 Ų | 55 | 44.7 Ų | 44.7 | 36% | 0.357 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -48.2 | 130.1 | -178.9 | -31.1 | 37.3 | 0 | 0 | 0 | 111.8 | D3489 | P3465-D3489 HydrophobicContact CB-CB 4.12Å; P3465-D3489 WeakPolarHBondContact CB-OD1 3.45Å; P3465-D3489 HydrophobicContact CG-CB 4.12Å; P3465-D3489 VanDerWaalsContact CG-CG 3.47Å |
| 3466 | P | 86.1 | Confident | 87.6 | Confident | 11 Ų | 11 | 47.6 Ų | 47.6 | 7% | 0.071 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 135.8 | -177.5 | 27.6 | -32.5 | 0 | 0 | 0 | 111.6 | P3437 V3460 L3468 A3510 E3511 N3512 | P3437-P3466 HydrophobicContact CB-CB 3.89Å; P3437-P3466 HydrophobicContact CB-CG 4.31Å; P3437-P3466 HydrophobicContact CG-CB 3.89Å; V3460-P3466 HydrophobicContact CG1-CG 3.86Å; P3466-L3468 HydrophobicContact CB-CD2 4.15Å; P3466-L3468 HydrophobicContact CG-CD2 3.93Å; P3466-L3468 WeakPolarHBondContact O-CG 3.41Å; P3466-L3468 PolarHBondContact O-N 2.96Å; P3466-A3510 HydrophobicContact CB-CB 4.24Å; P3466-E3511 CarbonylContact C-O 3.34Å; P3466-E3511 WeakPolarHBondContact CA-O 3.25Å; P3466-N3512 HydrophobicContact CB-CB 4.43Å |
| 3467 | K | 88.3 | Confident | 87.4 | Confident | 143 Ų | 143 | 47.3 Ų | 47.3 | 62% | 0.622 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 118.7 | 162.2 | 180 | -178.6 | 178.3 | -177.9 | 0 | 107.9 | A3510 E3511 | K3467-A3510 CarbonylContact O-C 3.59Å; K3467-A3510 WeakPolarHBondContact O-CA 3.41Å; K3467-E3511 PolarHBondContact N-O 2.86Å; K3467-E3511 PolarHBondContact O-N 2.69Å |
| 3468 | L | 90.9 | Very high | 87 | Confident | 9 Ų | 9 | 52.6 Ų | 52.6 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 153.7 | 177 | -50.8 | 179 | 0 | 0 | 0 | 108.5 | V3460 P3466 E3487 A3492 L3508 L3509 A3510 | V3460-L3468 HydrophobicContact CB-CD2 4.24Å; V3460-L3468 HydrophobicContact CG1-CD2 3.92Å; V3460-L3468 HydrophobicContact CG2-CD1 4.29Å; V3460-L3468 HydrophobicContact CG2-CD2 4.01Å; P3466-L3468 HydrophobicContact CB-CD2 4.15Å; P3466-L3468 HydrophobicContact CG-CD2 3.93Å; P3466-L3468 WeakPolarHBondContact O-CG 3.41Å; P3466-L3468 PolarHBondContact O-N 2.96Å; L3468-E3487 VanDerWaalsContact CB-CD 3.49Å; L3468-E3487 HydrophobicContact CB-CG 4.15Å; L3468-E3487 WeakPolarHBondContact CB-OE1 3.37Å; L3468-E3487 HydrophobicContact CD1-CB 4.3Å; L3468-E3487 HydrophobicContact CD1-CG 4.27Å; L3468-A3492 HydrophobicContact CB-CB 4.37Å; L3468-A3492 HydrophobicContact CD1-CB 3.6Å; L3468-A3492 HydrophobicContact CG-CB 4.49Å; L3468-L3508 HydrophobicContact CB-CD1 4.36Å; L3468-L3509 CarbonylContact C-O 3.49Å; L3468-L3509 WeakPolarHBondContact CA-O 3.38Å; L3468-A3510 HydrophobicContact CD2-CB 3.51Å |
| 3469 | T | 90.4 | Very high | 86.6 | Confident | 29 Ų | 29 | 58.1 Ų | 58.1 | 18% | 0.178 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 123.3 | 179.1 | -56.1 | 0 | 0 | 0 | 0 | 110.6 | Y3476 L3509 | T3469-Y3476 HydrophobicContact CG2-CD1 3.62Å; T3469-Y3476 HydrophobicContact CG2-CE1 3.81Å; T3469-L3509 PolarHBondContact N-O 3.47Å; T3469-L3509 PolarHBondContact O-N 2.82Å |
| 3470 | W | 92.6 | Very high | 86.1 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 1% | 0.011 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 148.3 | 176.9 | -70.8 | 95.3 | 0 | 0 | 0 | 113.1 | L3456 M3458 V3477 A3492 L3494 I3506 L3508 | L3456-W3470 HydrophobicContact CB-CH2 4.33Å; M3458-W3470 HydrophobicContact CG-CH2 4Å; M3458-W3470 HydrophobicContact SD-CH2 4.17Å; W3470-V3477 HydrophobicContact CB-CB 4.06Å; W3470-V3477 HydrophobicContact CB-CG2 3.94Å; W3470-V3477 PolarHBondContact O-N 2.91Å; W3470-A3492 HydrophobicContact CZ2-CB 3.9Å; W3470-L3494 HydrophobicContact CB-CD2 4.22Å; W3470-L3494 HydrophobicContact CD2-CB 3.63Å; W3470-L3494 HydrophobicContact CD2-CD2 3.77Å; W3470-L3494 HydrophobicContact CD2-CG 4.26Å; W3470-L3494 HydrophobicContact CE3-CB 3.98Å; W3470-L3494 HydrophobicContact CE3-CD2 3.55Å; W3470-L3494 HydrophobicContact CE3-CG 4.4Å; W3470-L3494 HydrophobicContact CG-CB 4.1Å; W3470-L3494 HydrophobicContact CG-CD2 4.08Å; W3470-L3494 HydrophobicContact CG-CG 4.49Å; W3470-L3494 HydrophobicContact CH2-CB 4.1Å; W3470-L3494 HydrophobicContact CZ2-CB 3.78Å; W3470-L3494 HydrophobicContact CZ3-CB 4.2Å; W3470-L3494 HydrophobicContact CZ3-CD2 4.14Å; W3470-I3506 HydrophobicContact CE3-CG2 3.83Å; W3470-I3506 HydrophobicContact CZ3-CG2 3.85Å; W3470-L3508 HydrophobicContact CD2-CB 4.44Å; W3470-L3508 HydrophobicContact CD2-CD1 4.05Å; W3470-L3508 HydrophobicContact CE3-CB 4.02Å; W3470-L3508 HydrophobicContact CE3-CD1 4.49Å; W3470-L3508 HydrophobicContact CG-CD1 4.43Å; W3470-L3508 HydrophobicContact CH2-CB 4.16Å; W3470-L3508 HydrophobicContact CH2-CD2 4.36Å; W3470-L3508 HydrophobicContact CZ2-CD1 4.19Å; W3470-L3508 HydrophobicContact CZ2-CD2 4.28Å; W3470-L3508 HydrophobicContact CZ3-CB 3.88Å |
| 3471 | R | 92.5 | Very high | 85.3 | Confident | 65 Ų | 65 | 66.7 Ų | 66.7 | 25% | 0.245 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 145.8 | 165.9 | -66.8 | 172.1 | 179.1 | 160 | 2.5 | 111.2 | A3475 Y3476 I3506 E3507 | R3471-A3475 CarbonylContact C-O 3.56Å; R3471-A3475 WeakPolarHBondContact CA-O 3.32Å; R3471-A3475 VanDerWaalsContact CB-O 3.25Å; R3471-A3475 WeakPolarHBondContact CB-O 3.37Å; R3471-Y3476 HydrophobicContact CG-CD1 3.72Å; R3471-Y3476 HydrophobicContact CG-CE1 4.07Å; R3471-Y3476 HydrophobicContact CG-CG 4.39Å; R3471-Y3476 VanDerWaalsContact NE-CE1 3.25Å; R3471-Y3476 PolarHBondContact NH2-OH 2.79Å; R3471-I3506 CarbonylContact O-C 3.5Å; R3471-I3506 WeakPolarHBondContact O-CA 3.19Å; R3471-E3507 HydrophobicContact CB-CB 4.14Å; R3471-E3507 HydrophobicContact CB-CG 4.33Å; R3471-E3507 WeakPolarHBondContact CD-OE2 3.41Å; R3471-E3507 IonicContact CZ-OE2 2.76Å; R3471-E3507 PolarHBondContact N-O 3.06Å; R3471-E3507 IonicContact NE-OE2 3.56Å; R3471-E3507 IonicContact NH1-OE2 2.8Å; R3471-E3507 PolarHBondContact NH1-OE2 2.99Å; R3471-E3507 PolarHBondContact O-N 2.71Å |
| 3472 | V | 90.2 | Very high | 84.9 | Confident | 7 Ų | 7 | 67.3 Ų | 67.3 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.9 | 168 | 177.7 | 0 | 0 | 0 | 0 | 108.8 | G3474 A3475 V3477 L3494 F3496 I3501 A3503 I3506 | V3472-G3474 PolarHBondContact O-N 2.89Å; V3472-G3474 VanDerWaalsContact O-N 3.13Å; V3472-A3475 PolarHBondContact N-O 3.39Å; V3472-A3475 PolarHBondContact O-N 3.09Å; V3472-V3477 HydrophobicContact CB-CG2 4.15Å; V3472-V3477 HydrophobicContact CG2-CG2 3.6Å; V3472-L3494 HydrophobicContact CG2-CD2 4.21Å; V3472-F3496 HydrophobicContact CG2-CE1 4.34Å; V3472-F3496 HydrophobicContact CG2-CZ 4.22Å; V3472-I3501 HydrophobicContact CB-CG2 4.12Å; V3472-I3501 HydrophobicContact CG1-CG2 3.54Å; V3472-A3503 HydrophobicContact CG1-CB 3.62Å; V3472-I3506 HydrophobicContact CG2-CG1 4.23Å; V3472-I3506 HydrophobicContact CG2-CG2 4.2Å |
| 3473 | N | 88 | Confident | 84.9 | Confident | 75 Ų | 75 | 67 Ų | 67 | 40% | 0.401 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 29 | -174.8 | -55.2 | -35.7 | 0 | 0 | 0 | 113.9 | A3475 P3502 K3504 E3505 | N3473-A3475 VanDerWaalsContact C-N 3.33Å; N3473-A3475 PolarHBondContact O-N 3.17Å; N3473-P3502 PolarHBondContact ND2-O 3.18Å; N3473-K3504 WeakPolarHBondContact OD1-CB 3.31Å; N3473-K3504 PolarHBondContact OD1-N 2.97Å; N3473-E3505 PolarHBondContact N-O 3.5Å; N3473-E3505 PolarHBondContact OD1-N 2.88Å |
| 3474 | G | 84.5 | Confident | 85.2 | Confident | 48 Ų | 48 | 67.7 Ų | 67.7 | 50% | 0.495 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -7.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116 | V3472 | V3472-G3474 PolarHBondContact O-N 2.89Å; V3472-G3474 VanDerWaalsContact O-N 3.13Å |
| 3475 | A | 86.8 | Confident | 85.6 | Confident | 62 Ų | 62 | 67.3 Ų | 67.3 | 51% | 0.512 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 143.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | R3471 V3472 N3473 | R3471-A3475 CarbonylContact C-O 3.56Å; R3471-A3475 WeakPolarHBondContact CA-O 3.32Å; R3471-A3475 VanDerWaalsContact CB-O 3.25Å; R3471-A3475 WeakPolarHBondContact CB-O 3.37Å; V3472-A3475 PolarHBondContact N-O 3.39Å; V3472-A3475 PolarHBondContact O-N 3.09Å; N3473-A3475 VanDerWaalsContact C-N 3.33Å; N3473-A3475 PolarHBondContact O-N 3.17Å |
| 3476 | Y | 89.3 | Confident | 85.7 | Confident | 145 Ų | 145 | 68.7 Ų | 68.7 | 57% | 0.569 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 146.1 | 170.4 | -66.8 | -70.6 | 0 | 0 | 0 | 110.7 | T3469 R3471 | T3469-Y3476 HydrophobicContact CG2-CD1 3.62Å; T3469-Y3476 HydrophobicContact CG2-CE1 3.81Å; R3471-Y3476 HydrophobicContact CG-CD1 3.72Å; R3471-Y3476 HydrophobicContact CG-CE1 4.07Å; R3471-Y3476 HydrophobicContact CG-CG 4.39Å; R3471-Y3476 VanDerWaalsContact NE-CE1 3.25Å; R3471-Y3476 PolarHBondContact NH2-OH 2.79Å |
| 3477 | V | 85.4 | Confident | 85.2 | Confident | 18 Ų | 18 | 71.3 Ų | 71.3 | 11% | 0.109 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -96.4 | 124.1 | 175.3 | -170.2 | 0 | 0 | 0 | 0 | 109 | W3470 V3472 V3483 I3485 L3494 I3501 | W3470-V3477 HydrophobicContact CB-CB 4.06Å; W3470-V3477 HydrophobicContact CB-CG2 3.94Å; W3470-V3477 PolarHBondContact O-N 2.91Å; V3472-V3477 HydrophobicContact CB-CG2 4.15Å; V3472-V3477 HydrophobicContact CG2-CG2 3.6Å; V3477-V3483 HydrophobicContact CG1-CG1 3.41Å; V3477-V3483 VanDerWaalsContact CG1-CG1 3.41Å; V3477-I3485 HydrophobicContact CB-CD1 4.2Å; V3477-I3485 HydrophobicContact CG1-CD1 4.07Å; V3477-L3494 HydrophobicContact CG1-CD1 4Å; V3477-I3501 HydrophobicContact CG1-CD1 4.38Å |
| 3478 | E | 80.9 | Confident | 84.7 | Confident | 169 Ų | 169 | 68.2 Ų | 68.2 | 79% | 0.79 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -104 | 150.5 | 168.5 | -66.7 | 173.7 | 178 | 0 | 0 | 108.8 | ||
| 3479 | E | 81.2 | Confident | 83.7 | Confident | 116 Ų | 116 | 73.1 Ų | 73.1 | 54% | 0.542 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 146.3 | 176.9 | -68.4 | -151.1 | 101.2 | 0 | 0 | 111.9 | V3483 R3484 I3485 | E3479-V3483 WeakPolarHBondContact CA-O 3.47Å; E3479-R3484 WeakPolarHBondContact OE1-CA 3.34Å; E3479-I3485 HydrophobicContact CG-CB 4.02Å; E3479-I3485 HydrophobicContact CG-CD1 4.2Å; E3479-I3485 HydrophobicContact CG-CG1 4.17Å; E3479-I3485 PolarHBondContact OE1-N 2.86Å |
| 3480 | S | 78.3 | Confident | 83.2 | Confident | 68 Ų | 68 | 75 Ų | 75 | 48% | 0.476 | 39% | 0.39 | S | S | . | . | B | Isolated β-bridge | trans | -158.7 | 174.8 | 175.7 | 64.5 | 0 | 0 | 0 | 0 | 110.9 | N3482 V3483 | S3480-N3482 PolarHBondContact O-N 2.87Å; S3480-V3483 PolarHBondContact N-O 3.45Å; S3480-V3483 CarbonylContact O-C 3.57Å; S3480-V3483 PolarHBondContact O-N 3.23Å; S3480-V3483 WeakPolarHBondContact OG-CB 3.31Å; S3480-V3483 WeakPolarHBondContact OG-CG2 3.36Å |
| 3481 | E | 72.6 | Confident | 82.8 | Confident | 187 Ų | 187 | 78.3 Ų | 78.3 | 87% | 0.874 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | -27 | 179.3 | -169.2 | -179.1 | -140.9 | 0 | 0 | 114.2 | ||
| 3482 | N | 78.6 | Confident | 82.6 | Confident | 67 Ų | 67 | 75.2 Ų | 75.2 | 36% | 0.358 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 6.4 | -179.4 | -67.7 | -96.9 | 0 | 0 | 0 | 114.1 | S3480 F3496 S3497 S3500 | S3480-N3482 PolarHBondContact O-N 2.87Å; N3482-F3496 VanDerWaalsContact O-CA 3.3Å; N3482-F3496 WeakPolarHBondContact O-CA 3.49Å; N3482-S3497 PolarHBondContact O-N 2.98Å; N3482-S3500 PolarHBondContact O-OG 2.93Å |
| 3483 | V | 84.9 | Confident | 82.7 | Confident | 4 Ų | 4 | 78.3 Ų | 78.3 | 2% | 0.024 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 111.6 | -172.8 | -176 | 0 | 0 | 0 | 0 | 109.6 | V3477 E3479 S3480 L3494 V3495 F3496 I3501 | V3477-V3483 HydrophobicContact CG1-CG1 3.41Å; V3477-V3483 VanDerWaalsContact CG1-CG1 3.41Å; E3479-V3483 WeakPolarHBondContact CA-O 3.47Å; S3480-V3483 PolarHBondContact N-O 3.45Å; S3480-V3483 CarbonylContact O-C 3.57Å; S3480-V3483 PolarHBondContact O-N 3.23Å; S3480-V3483 WeakPolarHBondContact OG-CB 3.31Å; S3480-V3483 WeakPolarHBondContact OG-CG2 3.36Å; V3483-L3494 HydrophobicContact CG1-CD1 4.21Å; V3483-V3495 CarbonylContact C-O 3.56Å; V3483-V3495 WeakPolarHBondContact CA-O 3.38Å; V3483-F3496 HydrophobicContact CB-CB 4.31Å; V3483-F3496 HydrophobicContact CG1-CB 4.24Å; V3483-F3496 HydrophobicContact CG2-CB 3.96Å; V3483-I3501 HydrophobicContact CG1-CD1 4.28Å; V3483-I3501 HydrophobicContact CG2-CD1 3.75Å; V3483-I3501 HydrophobicContact CG2-CG1 4.08Å |
| 3484 | R | 85.4 | Confident | 82.8 | Confident | 100 Ų | 100 | 74.8 Ų | 74.8 | 38% | 0.377 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 141.8 | 177.9 | -61 | -174.6 | -174.7 | -171.5 | 1.5 | 111.8 | E2542 E3479 Y3486 V3495 | E2542-R3484 IonicContact OE2-NH1 2.78Å; E3479-R3484 WeakPolarHBondContact OE1-CA 3.34Å; R3484-Y3486 HydrophobicContact CB-CE2 3.85Å; R3484-Y3486 WeakPolarHBondContact CD-OH 3.4Å; R3484-Y3486 PolarHBondContact NH1-OH 3.16Å; R3484-V3495 PolarHBondContact N-O 2.84Å; R3484-V3495 PolarHBondContact O-N 3.43Å |
| 3485 | I | 88.4 | Confident | 83.1 | Confident | 33 Ų | 33 | 73.7 Ų | 73.7 | 17% | 0.169 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.9 | 176.3 | -64.5 | 171.2 | 0 | 0 | 0 | 107.8 | V3477 E3479 E3487 R3493 L3494 | V3477-I3485 HydrophobicContact CB-CD1 4.2Å; V3477-I3485 HydrophobicContact CG1-CD1 4.07Å; E3479-I3485 HydrophobicContact CG-CB 4.02Å; E3479-I3485 HydrophobicContact CG-CD1 4.2Å; E3479-I3485 HydrophobicContact CG-CG1 4.17Å; E3479-I3485 PolarHBondContact OE1-N 2.86Å; I3485-E3487 HydrophobicContact CG2-CG 3.77Å; I3485-E3487 WeakPolarHBondContact CG2-OE1 3.33Å; I3485-R3493 CarbonylContact C-O 3.55Å; I3485-R3493 WeakPolarHBondContact CA-O 3.4Å; I3485-L3494 HydrophobicContact CG1-CD1 4.02Å |
| 3486 | Y | 83.7 | Confident | 83.2 | Confident | 83 Ų | 83 | 70.8 Ų | 70.8 | 33% | 0.325 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 124.9 | 174.8 | -48.6 | -99.9 | 0 | 0 | 0 | 108.6 | R3484 A3492 R3493 V3495 | R3484-Y3486 HydrophobicContact CB-CE2 3.85Å; R3484-Y3486 WeakPolarHBondContact CD-OH 3.4Å; R3484-Y3486 PolarHBondContact NH1-OH 3.16Å; Y3486-A3492 CarbonylContact O-C 3.58Å; Y3486-A3492 WeakPolarHBondContact O-CA 3.48Å; Y3486-R3493 HydrophobicContact CD2-CB 4.22Å; Y3486-R3493 HydrophobicContact CD2-CG 4.04Å; Y3486-R3493 PolarHBondContact N-O 3.26Å; Y3486-R3493 PolarHBondContact O-N 2.85Å; Y3486-V3495 HydrophobicContact CD2-CG2 4.44Å; Y3486-V3495 HydrophobicContact CE2-CG2 3.88Å |
| 3487 | E | 77.3 | Confident | 82.9 | Confident | 67 Ų | 67 | 64 Ų | 64 | 31% | 0.313 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 141.4 | -175.1 | -65.9 | -178.8 | 171.5 | 0 | 0 | 110.6 | L3468 I3485 Q3491 A3492 | L3468-E3487 VanDerWaalsContact CB-CD 3.49Å; L3468-E3487 HydrophobicContact CB-CG 4.15Å; L3468-E3487 WeakPolarHBondContact CB-OE1 3.37Å; L3468-E3487 HydrophobicContact CD1-CB 4.3Å; L3468-E3487 HydrophobicContact CD1-CG 4.27Å; I3485-E3487 HydrophobicContact CG2-CG 3.77Å; I3485-E3487 WeakPolarHBondContact CG2-OE1 3.33Å; E3487-Q3491 CarbonylContact C-O 3.51Å; E3487-Q3491 WeakPolarHBondContact CA-O 3.12Å; E3487-A3492 HydrophobicContact CG-CB 4.35Å |
| 3488 | T | 77.4 | Confident | 82.5 | Confident | 78 Ų | 78 | 63.7 Ų | 63.7 | 48% | 0.479 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 166.4 | 177 | 64.1 | 0 | 0 | 0 | 0 | 108.3 | S3490 Q3491 | T3488-S3490 PolarHBondContact O-N 2.96Å; T3488-Q3491 PolarHBondContact N-O 3.38Å; T3488-Q3491 PolarHBondContact O-N 2.89Å; T3488-Q3491 WeakPolarHBondContact OG1-CB 3.33Å; T3488-Q3491 PolarHBondContact OG1-N 2.97Å; T3488-Q3491 VanDerWaalsContact OG1-N 3.09Å; T3488-Q3491 PolarHBondContact OG1-O 2.87Å |
| 3489 | D | 69.7 | Low | 82.2 | Confident | 111 Ų | 111 | 59.9 Ų | 59.9 | 59% | 0.594 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -18.3 | 177.7 | -62.6 | 3.6 | 0 | 0 | 0 | 115.3 | P3465 | P3465-D3489 HydrophobicContact CB-CB 4.12Å; P3465-D3489 WeakPolarHBondContact CB-OD1 3.45Å; P3465-D3489 HydrophobicContact CG-CB 4.12Å; P3465-D3489 VanDerWaalsContact CG-CG 3.47Å |
| 3490 | S | 78.7 | Confident | 81.9 | Confident | 70 Ų | 70 | 56.5 Ų | 56.5 | 49% | 0.49 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.7 | 1.3 | -177.3 | 65.2 | 0 | 0 | 0 | 0 | 115.9 | L3459 V3460 T3488 | L3459-S3490 WeakPolarHBondContact CA-O 3.33Å; V3460-S3490 PolarHBondContact N-O 2.81Å; V3460-S3490 CarbonylContact O-C 3.52Å; V3460-S3490 VanDerWaalsContact O-CA 3.24Å; V3460-S3490 WeakPolarHBondContact O-CA 3.29Å; V3460-S3490 VanDerWaalsContact O-O 3.14Å; T3488-S3490 PolarHBondContact O-N 2.96Å |
| 3491 | Q | 84.6 | Confident | 81.8 | Confident | 72 Ų | 72 | 55.1 Ų | 55.1 | 34% | 0.336 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 132.3 | -174.4 | -174.1 | 178.5 | 112.2 | 0 | 0 | 112.6 | T3457 M3458 L3459 E3487 T3488 | T3457-Q3491 VanDerWaalsContact CG2-CD 3.47Å; T3457-Q3491 HydrophobicContact CG2-CG 3.67Å; M3458-Q3491 CarbonylContact O-C 3.58Å; M3458-Q3491 WeakPolarHBondContact O-CA 3.34Å; L3459-Q3491 HydrophobicContact CD2-CB 4.14Å; L3459-Q3491 HydrophobicContact CD2-CG 4.13Å; E3487-Q3491 CarbonylContact C-O 3.51Å; E3487-Q3491 WeakPolarHBondContact CA-O 3.12Å; T3488-Q3491 PolarHBondContact N-O 3.38Å; T3488-Q3491 PolarHBondContact O-N 2.89Å; T3488-Q3491 WeakPolarHBondContact OG1-CB 3.33Å; T3488-Q3491 PolarHBondContact OG1-N 2.97Å; T3488-Q3491 VanDerWaalsContact OG1-N 3.09Å; T3488-Q3491 PolarHBondContact OG1-O 2.87Å |
| 3492 | A | 87.7 | Confident | 82 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 140 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | M3458 L3468 W3470 Y3486 E3487 L3508 | M3458-A3492 PolarHBondContact N-O 2.89Å; M3458-A3492 PolarHBondContact O-N 2.62Å; M3458-A3492 VanDerWaalsContact O-O 3.09Å; L3468-A3492 HydrophobicContact CB-CB 4.37Å; L3468-A3492 HydrophobicContact CD1-CB 3.6Å; L3468-A3492 HydrophobicContact CG-CB 4.49Å; W3470-A3492 HydrophobicContact CZ2-CB 3.9Å; Y3486-A3492 CarbonylContact O-C 3.58Å; Y3486-A3492 WeakPolarHBondContact O-CA 3.48Å; E3487-A3492 HydrophobicContact CG-CB 4.35Å; A3492-L3508 HydrophobicContact CB-CD1 3.91Å; A3492-L3508 HydrophobicContact CB-CD2 3.93Å |
| 3493 | R | 92.5 | Very high | 82 | Confident | 72 Ų | 72 | 48 Ų | 48 | 27% | 0.272 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 138.6 | 173.8 | 176.6 | -177.7 | -179.9 | -151.7 | 5.6 | 111.1 | D3455 L3456 T3457 I3485 Y3486 V3495 | D3455-R3493 IonicContact OD1-CZ 2.67Å; D3455-R3493 IonicContact OD1-NE 3.58Å; D3455-R3493 PolarHBondContact OD1-NE 2.82Å; D3455-R3493 IonicContact OD1-NH2 3.68Å; D3455-R3493 PolarHBondContact OD1-NH2 2.77Å; D3455-R3493 IonicContact OD2-CZ 3.53Å; D3455-R3493 IonicContact OD2-NE 3.46Å; D3455-R3493 IonicContact OD2-NH2 3.37Å; D3455-R3493 PolarHBondContact OD2-NH2 2.91Å; L3456-R3493 CarbonylContact O-C 3.57Å; L3456-R3493 WeakPolarHBondContact O-CA 3.22Å; L3456-R3493 WeakPolarHBondContact O-CG 3.3Å; T3457-R3493 HydrophobicContact CG2-CB 4.42Å; T3457-R3493 WeakPolarHBondContact OG1-CD 3.34Å; T3457-R3493 WeakPolarHBondContact OG1-CG 3.36Å; I3485-R3493 CarbonylContact C-O 3.55Å; I3485-R3493 WeakPolarHBondContact CA-O 3.4Å; Y3486-R3493 HydrophobicContact CD2-CB 4.22Å; Y3486-R3493 HydrophobicContact CD2-CG 4.04Å; Y3486-R3493 PolarHBondContact N-O 3.26Å; Y3486-R3493 PolarHBondContact O-N 2.85Å; R3493-V3495 HydrophobicContact CG-CG2 4.06Å |
| 3494 | L | 91.5 | Very high | 82 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 125 | 179.3 | 169.1 | 63.7 | 0 | 0 | 0 | 109.4 | L3456 W3470 V3472 V3477 V3483 I3485 F3496 I3506 | L3456-L3494 PolarHBondContact N-O 2.83Å; L3456-L3494 PolarHBondContact O-N 3.01Å; W3470-L3494 HydrophobicContact CB-CD2 4.22Å; W3470-L3494 HydrophobicContact CD2-CB 3.63Å; W3470-L3494 HydrophobicContact CD2-CD2 3.77Å; W3470-L3494 HydrophobicContact CD2-CG 4.26Å; W3470-L3494 HydrophobicContact CE3-CB 3.98Å; W3470-L3494 HydrophobicContact CE3-CD2 3.55Å; W3470-L3494 HydrophobicContact CE3-CG 4.4Å; W3470-L3494 HydrophobicContact CG-CB 4.1Å; W3470-L3494 HydrophobicContact CG-CD2 4.08Å; W3470-L3494 HydrophobicContact CG-CG 4.49Å; W3470-L3494 HydrophobicContact CH2-CB 4.1Å; W3470-L3494 HydrophobicContact CZ2-CB 3.78Å; W3470-L3494 HydrophobicContact CZ3-CB 4.2Å; W3470-L3494 HydrophobicContact CZ3-CD2 4.14Å; V3472-L3494 HydrophobicContact CG2-CD2 4.21Å; V3477-L3494 HydrophobicContact CG1-CD1 4Å; V3483-L3494 HydrophobicContact CG1-CD1 4.21Å; I3485-L3494 HydrophobicContact CG1-CD1 4.02Å; L3494-F3496 HydrophobicContact CD1-CD1 3.98Å; L3494-F3496 HydrophobicContact CD2-CD1 4.1Å; L3494-F3496 HydrophobicContact CD2-CE1 3.8Å; L3494-F3496 HydrophobicContact CG-CD1 3.77Å; L3494-F3496 HydrophobicContact CG-CE1 3.94Å; L3494-I3506 HydrophobicContact CD2-CG2 3.81Å |
| 3495 | V | 89.8 | Confident | 82.3 | Confident | 26 Ų | 26 | 53.8 Ų | 53.8 | 16% | 0.158 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 120.6 | -178.7 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | I3454 D3455 V3483 R3484 Y3486 R3493 | I3454-V3495 CarbonylContact O-C 3.59Å; I3454-V3495 VanDerWaalsContact O-CA 3.27Å; I3454-V3495 WeakPolarHBondContact O-CA 3.49Å; D3455-V3495 HydrophobicContact CB-CG2 4.37Å; V3483-V3495 CarbonylContact C-O 3.56Å; V3483-V3495 WeakPolarHBondContact CA-O 3.38Å; R3484-V3495 PolarHBondContact N-O 2.84Å; R3484-V3495 PolarHBondContact O-N 3.43Å; Y3486-V3495 HydrophobicContact CD2-CG2 4.44Å; Y3486-V3495 HydrophobicContact CE2-CG2 3.88Å; R3493-V3495 HydrophobicContact CG-CG2 4.06Å |
| 3496 | F | 89.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 155.2 | 177.7 | 64.8 | -81.4 | 0 | 0 | 0 | 113.3 | Y3453 I3454 V3472 N3482 V3483 L3494 I3501 A3503 I3506 | Y3453-F3496 WeakPolarHBondContact CA-O 3.04Å; I3454-F3496 HydrophobicContact CB-CD1 4.29Å; I3454-F3496 HydrophobicContact CB-CE1 3.96Å; I3454-F3496 HydrophobicContact CB-CE2 4.46Å; I3454-F3496 HydrophobicContact CB-CZ 4.07Å; I3454-F3496 HydrophobicContact CD1-CE1 4.38Å; I3454-F3496 HydrophobicContact CD1-CE2 3.97Å; I3454-F3496 HydrophobicContact CD1-CZ 3.66Å; I3454-F3496 HydrophobicContact CG1-CZ 4.34Å; I3454-F3496 HydrophobicContact CG2-CD1 4.4Å; I3454-F3496 HydrophobicContact CG2-CE1 3.8Å; I3454-F3496 HydrophobicContact CG2-CZ 4.16Å; I3454-F3496 PolarHBondContact N-O 2.9Å; I3454-F3496 PolarHBondContact O-N 2.94Å; V3472-F3496 HydrophobicContact CG2-CE1 4.34Å; V3472-F3496 HydrophobicContact CG2-CZ 4.22Å; N3482-F3496 VanDerWaalsContact O-CA 3.3Å; N3482-F3496 WeakPolarHBondContact O-CA 3.49Å; V3483-F3496 HydrophobicContact CB-CB 4.31Å; V3483-F3496 HydrophobicContact CG1-CB 4.24Å; V3483-F3496 HydrophobicContact CG2-CB 3.96Å; L3494-F3496 HydrophobicContact CD1-CD1 3.98Å; L3494-F3496 HydrophobicContact CD2-CD1 4.1Å; L3494-F3496 HydrophobicContact CD2-CE1 3.8Å; L3494-F3496 HydrophobicContact CG-CD1 3.77Å; L3494-F3496 HydrophobicContact CG-CE1 3.94Å; F3496-I3501 HydrophobicContact CD2-CB 3.82Å; F3496-I3501 HydrophobicContact CD2-CD1 4.39Å; F3496-I3501 HydrophobicContact CD2-CG1 4.27Å; F3496-I3501 HydrophobicContact CE2-CB 3.94Å; F3496-A3503 HydrophobicContact CE2-CB 3.83Å; F3496-A3503 HydrophobicContact CZ-CB 3.72Å; F3496-I3506 HydrophobicContact CE1-CD1 3.99Å; F3496-I3506 HydrophobicContact CZ-CD1 3.78Å |
| 3497 | S | 82.8 | Confident | 82.9 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.014 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 139.4 | 173.5 | -173.8 | 0 | 0 | 0 | 0 | 112.1 | N3482 S3499 S3500 I3501 | N3482-S3497 PolarHBondContact O-N 2.98Å; S3497-S3499 PolarHBondContact O-N 3.29Å; S3497-S3499 VanDerWaalsContact O-N 3.11Å; S3497-S3499 PolarHBondContact OG-N 2.9Å; S3497-S3499 PolarHBondContact OG-OG 3Å; S3497-S3500 PolarHBondContact N-OG 2.83Å; S3497-S3500 PolarHBondContact O-N 2.87Å; S3497-S3500 PolarHBondContact O-OG 3.46Å; S3497-I3501 PolarHBondContact O-N 3.03Å |
| 3498 | T | 76.9 | Confident | 83.7 | Confident | 12 Ų | 12 | 45.8 Ų | 45.8 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -11.7 | 172 | 54.5 | 0 | 0 | 0 | 0 | 114.1 | I3448 R3449 G3451 E3452 I3454 L3525 | I3448-T3498 HydrophobicContact CD1-CG2 3.86Å; I3448-T3498 HydrophobicContact CG1-CG2 4.16Å; I3448-T3498 HydrophobicContact CG2-CG2 3.8Å; R3449-T3498 PolarHBondContact O-OG1 2.94Å; R3449-T3498 VanDerWaalsContact O-OG1 3.1Å; G3451-T3498 PolarHBondContact N-OG1 3.41Å; E3452-T3498 PolarHBondContact N-OG1 3.3Å; E3452-T3498 WeakPolarHBondContact O-CG2 3.44Å; E3452-T3498 PolarHBondContact O-N 3.46Å; E3452-T3498 VanDerWaalsContact O-N 3.07Å; E3452-T3498 PolarHBondContact O-OG1 2.89Å; I3454-T3498 HydrophobicContact CD1-CG2 4.09Å; I3454-T3498 HydrophobicContact CG1-CG2 4.04Å; T3498-L3525 HydrophobicContact CG2-CD2 4.41Å |
| 3499 | S | 75.7 | Confident | 84.4 | Confident | 90 Ų | 90 | 43.6 Ų | 43.6 | 63% | 0.629 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -23.5 | 167.9 | 59.3 | 0 | 0 | 0 | 0 | 113.6 | S3497 | S3497-S3499 PolarHBondContact O-N 3.29Å; S3497-S3499 VanDerWaalsContact O-N 3.11Å; S3497-S3499 PolarHBondContact OG-N 2.9Å; S3497-S3499 PolarHBondContact OG-OG 3Å |
| 3500 | S | 74 | Confident | 85.4 | Confident | 44 Ų | 44 | 38.3 Ų | 38.3 | 31% | 0.308 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -44 | -178.5 | 67.3 | 0 | 0 | 0 | 0 | 112.8 | N3482 S3497 | N3482-S3500 PolarHBondContact O-OG 2.93Å; S3497-S3500 PolarHBondContact N-OG 2.83Å; S3497-S3500 PolarHBondContact O-N 2.87Å; S3497-S3500 PolarHBondContact O-OG 3.46Å |
| 3501 | I | 76.8 | Confident | 86 | Confident | 39 Ų | 39 | 39.4 Ų | 39.4 | 20% | 0.2 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -127.3 | 117.7 | 172 | -49.6 | 178.8 | 0 | 0 | 0 | 109.4 | V3472 V3477 V3483 F3496 S3497 A3503 | V3472-I3501 HydrophobicContact CB-CG2 4.12Å; V3472-I3501 HydrophobicContact CG1-CG2 3.54Å; V3477-I3501 HydrophobicContact CG1-CD1 4.38Å; V3483-I3501 HydrophobicContact CG1-CD1 4.28Å; V3483-I3501 HydrophobicContact CG2-CD1 3.75Å; V3483-I3501 HydrophobicContact CG2-CG1 4.08Å; F3496-I3501 HydrophobicContact CD2-CB 3.82Å; F3496-I3501 HydrophobicContact CD2-CD1 4.39Å; F3496-I3501 HydrophobicContact CD2-CG1 4.27Å; F3496-I3501 HydrophobicContact CE2-CB 3.94Å; S3497-I3501 PolarHBondContact O-N 3.03Å; I3501-A3503 VanDerWaalsContact C-N 3.26Å; I3501-A3503 PolarHBondContact O-N 2.86Å |
| 3502 | P | 76.9 | Confident | 86.2 | Confident | 94 Ų | 94 | 37 Ų | 37 | 61% | 0.61 | 20% | 0.197 | S | C | * | . | trans | -77.4 | 75.9 | 175.6 | 31.8 | -34.5 | 0 | 0 | 0 | 110.8 | N3473 | N3473-P3502 PolarHBondContact ND2-O 3.18Š| ||
| 3503 | A | 78 | Confident | 86.1 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 8% | 0.083 | 23% | 0.225 | C | C | . | . | trans | -66 | 139.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | I3454 V3472 F3496 I3501 I3506 V3523 | I3454-A3503 HydrophobicContact CD1-CB 4.37Å; V3472-A3503 HydrophobicContact CG1-CB 3.62Å; F3496-A3503 HydrophobicContact CE2-CB 3.83Å; F3496-A3503 HydrophobicContact CZ-CB 3.72Å; I3501-A3503 VanDerWaalsContact C-N 3.26Å; I3501-A3503 PolarHBondContact O-N 2.86Å; A3503-I3506 HydrophobicContact CB-CD1 4.27Å; A3503-I3506 HydrophobicContact CB-CG1 4.19Å; A3503-V3523 HydrophobicContact CB-CB 4.41Å; A3503-V3523 HydrophobicContact CB-CG1 4.49Å; A3503-V3523 HydrophobicContact CB-CG2 4.03Å | ||
| 3504 | K | 84.9 | Confident | 85.9 | Confident | 156 Ų | 156 | 42.7 Ų | 42.7 | 68% | 0.678 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -120.8 | -43.6 | 165.1 | -61.1 | 177.2 | -178.8 | 174.6 | 0 | 110.4 | N3473 N3522 V3523 | N3473-K3504 WeakPolarHBondContact OD1-CB 3.31Å; N3473-K3504 PolarHBondContact OD1-N 2.97Å; K3504-N3522 CarbonylContact O-C 3.33Å; K3504-N3522 WeakPolarHBondContact O-CA 3.4Å; K3504-V3523 PolarHBondContact O-N 2.85Å |
| 3505 | E | 91.1 | Very high | 85.7 | Confident | 70 Ų | 70 | 44 Ų | 44 | 33% | 0.327 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 143.6 | 176 | -176.4 | 172.7 | -131.2 | 0 | 0 | 109.3 | N3473 R3520 I3521 | N3473-E3505 PolarHBondContact N-O 3.5Å; N3473-E3505 PolarHBondContact OD1-N 2.88Å; E3505-R3520 WeakPolarHBondContact OE1-CD 3.37Å; E3505-R3520 IonicContact OE1-NE 3.37Å; E3505-I3521 CarbonylContact C-O 3.49Å; E3505-I3521 VanDerWaalsContact CA-O 3.3Å; E3505-I3521 WeakPolarHBondContact CA-O 3.26Å |
| 3506 | I | 92.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 124.9 | 178.3 | -51.6 | 176.2 | 0 | 0 | 0 | 107.1 | I3454 L3456 W3470 R3471 V3472 L3494 F3496 A3503 R3520 I3521 V3523 | I3454-I3506 HydrophobicContact CD1-CD1 4.27Å; I3454-I3506 HydrophobicContact CG2-CD1 4.31Å; L3456-I3506 HydrophobicContact CD1-CB 4.47Å; L3456-I3506 HydrophobicContact CD1-CD1 3.56Å; L3456-I3506 HydrophobicContact CD1-CG2 4.14Å; W3470-I3506 HydrophobicContact CE3-CG2 3.83Å; W3470-I3506 HydrophobicContact CZ3-CG2 3.85Å; R3471-I3506 CarbonylContact O-C 3.5Å; R3471-I3506 WeakPolarHBondContact O-CA 3.19Å; V3472-I3506 HydrophobicContact CG2-CG1 4.23Å; V3472-I3506 HydrophobicContact CG2-CG2 4.2Å; L3494-I3506 HydrophobicContact CD2-CG2 3.81Å; F3496-I3506 HydrophobicContact CE1-CD1 3.99Å; F3496-I3506 HydrophobicContact CZ-CD1 3.78Å; A3503-I3506 HydrophobicContact CB-CD1 4.27Å; A3503-I3506 HydrophobicContact CB-CG1 4.19Å; I3506-R3520 CarbonylContact O-C 3.52Å; I3506-R3520 WeakPolarHBondContact O-CA 3.06Å; I3506-I3521 HydrophobicContact CB-CB 4.28Å; I3506-I3521 PolarHBondContact N-O 2.98Å; I3506-I3521 PolarHBondContact O-N 2.92Å; I3506-V3523 HydrophobicContact CD1-CG2 3.75Å; I3506-V3523 HydrophobicContact CG1-CG2 4.11Å |
| 3507 | E | 92.9 | Very high | 86 | Confident | 14 Ų | 14 | 48 Ų | 48 | 7% | 0.065 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 143.9 | 174.1 | -39.5 | -168.3 | 108.2 | 0 | 0 | 111 | R3471 A3519 R3520 | R3471-E3507 HydrophobicContact CB-CB 4.14Å; R3471-E3507 HydrophobicContact CB-CG 4.33Å; R3471-E3507 WeakPolarHBondContact CD-OE2 3.41Å; R3471-E3507 IonicContact CZ-OE2 2.76Å; R3471-E3507 PolarHBondContact N-O 3.06Å; R3471-E3507 IonicContact NE-OE2 3.56Å; R3471-E3507 IonicContact NH1-OE2 2.8Å; R3471-E3507 PolarHBondContact NH1-OE2 2.99Å; R3471-E3507 PolarHBondContact O-N 2.71Å; E3507-A3519 VanDerWaalsContact CA-O 3.26Å; E3507-A3519 WeakPolarHBondContact CA-O 3.48Å; E3507-R3520 HydrophobicContact CG-CG 4.24Å; E3507-R3520 IonicContact OE1-CZ 3.8Å; E3507-R3520 IonicContact OE1-NE 2.77Å; E3507-R3520 PolarHBondContact OE1-NE 2.85Å; E3507-R3520 IonicContact OE1-NH2 3.11Å; E3507-R3520 PolarHBondContact OE1-NH2 2.98Å |
| 3508 | L | 93.6 | Very high | 86.5 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 126.4 | 161.3 | 172.7 | 62.7 | 0 | 0 | 0 | 108.4 | I3439 M3458 V3460 L3468 W3470 A3492 V3518 A3519 | I3439-L3508 HydrophobicContact CD1-CD2 4.39Å; I3439-L3508 HydrophobicContact CD1-CG 4.42Å; M3458-L3508 HydrophobicContact CB-CD2 3.68Å; M3458-L3508 HydrophobicContact CG-CD2 4.19Å; M3458-L3508 HydrophobicContact SD-CB 4.17Å; M3458-L3508 HydrophobicContact SD-CD2 3.84Å; V3460-L3508 HydrophobicContact CG2-CD2 4.2Å; L3468-L3508 HydrophobicContact CB-CD1 4.36Å; W3470-L3508 HydrophobicContact CD2-CB 4.44Å; W3470-L3508 HydrophobicContact CD2-CD1 4.05Å; W3470-L3508 HydrophobicContact CE3-CB 4.02Å; W3470-L3508 HydrophobicContact CE3-CD1 4.49Å; W3470-L3508 HydrophobicContact CG-CD1 4.43Å; W3470-L3508 HydrophobicContact CH2-CB 4.16Å; W3470-L3508 HydrophobicContact CH2-CD2 4.36Å; W3470-L3508 HydrophobicContact CZ2-CD1 4.19Å; W3470-L3508 HydrophobicContact CZ2-CD2 4.28Å; W3470-L3508 HydrophobicContact CZ3-CB 3.88Å; A3492-L3508 HydrophobicContact CB-CD1 3.91Å; A3492-L3508 HydrophobicContact CB-CD2 3.93Å; L3508-V3518 CarbonylContact O-C 3.55Å; L3508-V3518 VanDerWaalsContact O-CA 3.26Å; L3508-V3518 WeakPolarHBondContact O-CA 3.4Å; L3508-A3519 PolarHBondContact N-O 3.01Å; L3508-A3519 PolarHBondContact O-N 3.44Å |
| 3509 | L | 92.1 | Very high | 87.1 | Confident | 33 Ų | 33 | 51.7 Ų | 51.7 | 17% | 0.173 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 142.7 | 168.6 | 173.4 | 68 | 0 | 0 | 0 | 109.1 | L3468 T3469 V3518 | L3468-L3509 CarbonylContact C-O 3.49Å; L3468-L3509 WeakPolarHBondContact CA-O 3.38Å; T3469-L3509 PolarHBondContact N-O 3.47Å; T3469-L3509 PolarHBondContact O-N 2.82Å; L3509-V3518 HydrophobicContact CD1-CG2 3.73Å |
| 3510 | A | 92.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 127 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | P3437 V3460 P3466 K3467 L3468 T3516 A3517 | P3437-A3510 HydrophobicContact CB-CB 3.91Å; V3460-A3510 HydrophobicContact CG1-CB 3.85Å; P3466-A3510 HydrophobicContact CB-CB 4.24Å; K3467-A3510 CarbonylContact O-C 3.59Å; K3467-A3510 WeakPolarHBondContact O-CA 3.41Å; L3468-A3510 HydrophobicContact CD2-CB 3.51Å; A3510-T3516 CarbonylContact O-C 3.55Å; A3510-T3516 WeakPolarHBondContact O-CA 3.33Å; A3510-A3517 PolarHBondContact N-O 2.74Å; A3510-A3517 PolarHBondContact O-N 2.71Å |
| 3511 | E | 90.9 | Very high | 88.7 | Confident | 93 Ų | 93 | 52.3 Ų | 52.3 | 44% | 0.435 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 130.4 | -170.7 | 175.6 | 169.8 | -146.6 | 0 | 0 | 111.7 | P3466 K3467 T3516 | P3466-E3511 CarbonylContact C-O 3.34Å; P3466-E3511 WeakPolarHBondContact CA-O 3.25Å; K3467-E3511 PolarHBondContact N-O 2.86Å; K3467-E3511 PolarHBondContact O-N 2.69Å; E3511-T3516 HydrophobicContact CB-CG2 4.01Å; E3511-T3516 HydrophobicContact CG-CG2 3.89Å |
| 3512 | N | 87.6 | Confident | 89.3 | Confident | 21 Ų | 21 | 54.3 Ų | 54.3 | 11% | 0.112 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 177.6 | 164.1 | 76 | 8.5 | 0 | 0 | 0 | 110.8 | K3435 P3437 P3464 P3466 V3514 G3515 | K3435-N3512 PolarHBondContact O-ND2 3.02Å; P3437-N3512 WeakPolarHBondContact CD-OD1 3.26Å; P3437-N3512 HydrophobicContact CG-CB 4.29Å; P3464-N3512 PolarHBondContact O-ND2 3.1Å; P3466-N3512 HydrophobicContact CB-CB 4.43Å; N3512-V3514 PolarHBondContact O-N 2.74Å; N3512-V3514 WeakPolarHBondContact OD1-CA 3.41Å; N3512-V3514 WeakPolarHBondContact OD1-CB 3.22Å; N3512-V3514 PolarHBondContact OD1-N 3.32Å; N3512-G3515 PolarHBondContact N-O 2.8Å; N3512-G3515 PolarHBondContact O-N 2.91Å; N3512-G3515 VanDerWaalsContact O-O 3.1Å; N3512-G3515 PolarHBondContact OD1-N 3.2Å |
| 3513 | E | 85.9 | Confident | 89.8 | Confident | 123 Ų | 123 | 50.4 Ų | 50.4 | 58% | 0.575 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -10 | -179.7 | 59.4 | 167.3 | 158.6 | 0 | 0 | 115.2 | K3434 P3464 | K3434-E3513 VanDerWaalsContact CD-OE1 3.26Å; K3434-E3513 WeakPolarHBondContact CD-OE1 3.18Å; K3434-E3513 WeakPolarHBondContact CE-OE1 3.38Å; K3434-E3513 IonicContact NZ-OE1 2.64Å; K3434-E3513 PolarHBondContact NZ-OE1 2.75Å; K3434-E3513 IonicContact NZ-OE2 2.65Å; K3434-E3513 PolarHBondContact NZ-OE2 3.25Å; P3464-E3513 WeakPolarHBondContact CD-OE1 3.44Å; P3464-E3513 HydrophobicContact CG-CG 4.38Å; P3464-E3513 WeakPolarHBondContact CG-OE1 3.35Å |
| 3514 | V | 87.8 | Confident | 90.1 | Very high | 69 Ų | 69 | 54.8 Ų | 54.8 | 42% | 0.418 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -19.3 | 179.8 | -157.9 | 0 | 0 | 0 | 0 | 112.3 | K3434 A3436 N3512 | K3434-V3514 HydrophobicContact CB-CG2 3.86Å; A3436-V3514 HydrophobicContact CB-CB 4.04Å; A3436-V3514 HydrophobicContact CB-CG1 4.01Å; N3512-V3514 PolarHBondContact O-N 2.74Å; N3512-V3514 WeakPolarHBondContact OD1-CA 3.41Å; N3512-V3514 WeakPolarHBondContact OD1-CB 3.22Å; N3512-V3514 PolarHBondContact OD1-N 3.32Å |
| 3515 | G | 89.2 | Confident | 89.6 | Confident | 26 Ų | 26 | 51.5 Ų | 51.5 | 27% | 0.268 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.4 | -166.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | P3437 N3512 | P3437-G3515 VanDerWaalsContact CD-C 3.42Å; P3437-G3515 WeakPolarHBondContact CD-O 3.45Å; P3437-G3515 VanDerWaalsContact CG-O 3.24Å; P3437-G3515 WeakPolarHBondContact CG-O 3.35Å; N3512-G3515 PolarHBondContact N-O 2.8Å; N3512-G3515 PolarHBondContact O-N 2.91Å; N3512-G3515 VanDerWaalsContact O-O 3.1Å; N3512-G3515 PolarHBondContact OD1-N 3.2Å |
| 3516 | T | 92.5 | Very high | 88.6 | Confident | 91 Ų | 91 | 52.5 Ų | 52.5 | 56% | 0.558 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 144.8 | -175.5 | 57.6 | 0 | 0 | 0 | 0 | 113.1 | A3510 E3511 | A3510-T3516 CarbonylContact O-C 3.55Å; A3510-T3516 WeakPolarHBondContact O-CA 3.33Å; E3511-T3516 HydrophobicContact CB-CG2 4.01Å; E3511-T3516 HydrophobicContact CG-CG2 3.89Å |
| 3517 | A | 91.7 | Very high | 86.9 | Confident | 20 Ų | 20 | 59 Ų | 59 | 17% | 0.165 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 153.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P3437 I3439 A3510 | P3437-A3517 HydrophobicContact CB-CB 4.34Å; P3437-A3517 WeakPolarHBondContact O-CB 3.34Å; I3439-A3517 HydrophobicContact CD1-CB 4.14Å; I3439-A3517 HydrophobicContact CG1-CB 4.04Å; A3510-A3517 PolarHBondContact N-O 2.74Å; A3510-A3517 PolarHBondContact O-N 2.71Å |
| 3518 | V | 92.7 | Very high | 84.6 | Confident | 81 Ų | 81 | 67.6 Ų | 67.6 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 138.7 | -179.1 | -178 | 0 | 0 | 0 | 0 | 111.3 | L3508 L3509 | L3508-V3518 CarbonylContact O-C 3.55Å; L3508-V3518 VanDerWaalsContact O-CA 3.26Å; L3508-V3518 WeakPolarHBondContact O-CA 3.4Å; L3509-V3518 HydrophobicContact CD1-CG2 3.73Å |
| 3519 | A | 90.7 | Very high | 82 | Confident | 10 Ų | 10 | 73.6 Ų | 73.6 | 8% | 0.083 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 155.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I3439 M3458 E3507 L3508 | I3439-A3519 HydrophobicContact CD1-CB 3.78Å; I3439-A3519 HydrophobicContact CG2-CB 4.16Å; M3458-A3519 HydrophobicContact CE-CB 3.69Å; M3458-A3519 HydrophobicContact SD-CB 4.11Å; E3507-A3519 VanDerWaalsContact CA-O 3.26Å; E3507-A3519 WeakPolarHBondContact CA-O 3.48Å; L3508-A3519 PolarHBondContact N-O 3.01Å; L3508-A3519 PolarHBondContact O-N 3.44Å |
| 3520 | R | 92.5 | Very high | 79.3 | Confident | 143 Ų | 143 | 75.5 Ų | 75.5 | 54% | 0.54 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 137.8 | -175.8 | -69.7 | -175.8 | 170.1 | 145.7 | 1.9 | 113 | P3443 E3505 I3506 E3507 | P3443-R3520 WeakPolarHBondContact CB-O 3.21Å; E3505-R3520 WeakPolarHBondContact OE1-CD 3.37Å; E3505-R3520 IonicContact OE1-NE 3.37Å; I3506-R3520 CarbonylContact O-C 3.52Å; I3506-R3520 WeakPolarHBondContact O-CA 3.06Å; E3507-R3520 HydrophobicContact CG-CG 4.24Å; E3507-R3520 IonicContact OE1-CZ 3.8Å; E3507-R3520 IonicContact OE1-NE 2.77Å; E3507-R3520 PolarHBondContact OE1-NE 2.85Å; E3507-R3520 IonicContact OE1-NH2 3.11Å; E3507-R3520 PolarHBondContact OE1-NH2 2.98Å |
| 3521 | I | 91.1 | Very high | 76.5 | Confident | 5 Ų | 5 | 81.7 Ų | 81.7 | 3% | 0.026 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 137.4 | -175.2 | -69.6 | 153.2 | 0 | 0 | 0 | 110 | P3443 K3444 I3446 L3456 M3458 E3505 I3506 | P3443-I3521 HydrophobicContact CB-CD1 4.35Å; P3443-I3521 HydrophobicContact CB-CG1 3.49Å; P3443-I3521 VanDerWaalsContact CB-CG1 3.49Å; K3444-I3521 WeakPolarHBondContact O-CG2 3.4Å; I3446-I3521 HydrophobicContact CD1-CG2 4.04Å; I3446-I3521 HydrophobicContact CG1-CG2 4.15Å; L3456-I3521 HydrophobicContact CD1-CD1 3.8Å; L3456-I3521 HydrophobicContact CD1-CG2 4.16Å; L3456-I3521 HydrophobicContact CD2-CD1 3.71Å; L3456-I3521 HydrophobicContact CG-CD1 4.38Å; M3458-I3521 HydrophobicContact SD-CD1 3.94Å; E3505-I3521 CarbonylContact C-O 3.49Å; E3505-I3521 VanDerWaalsContact CA-O 3.3Å; E3505-I3521 WeakPolarHBondContact CA-O 3.26Å; I3506-I3521 HydrophobicContact CB-CB 4.28Å; I3506-I3521 PolarHBondContact N-O 2.98Å; I3506-I3521 PolarHBondContact O-N 2.92Å |
| 3522 | N | 89.8 | Confident | 73.8 | Confident | 81 Ų | 81 | 87 Ų | 87 | 43% | 0.433 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 150.6 | 179.1 | -70.8 | -70.9 | 0 | 0 | 0 | 112.2 | T3445 I3446 K3504 | T3445-N3522 WeakPolarHBondContact CA-O 3.42Å; T3445-N3522 HydrophobicContact CG2-CB 4.11Å; I3446-N3522 PolarHBondContact N-O 2.92Å; K3504-N3522 CarbonylContact O-C 3.33Å; K3504-N3522 WeakPolarHBondContact O-CA 3.4Å |
| 3523 | V | 86.8 | Confident | 71.3 | Confident | 12 Ų | 12 | 95.3 Ų | 95.3 | 7% | 0.073 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 139.1 | -174.6 | -175.6 | 0 | 0 | 0 | 0 | 112.4 | I3446 I3448 I3454 A3503 K3504 I3506 | I3446-V3523 HydrophobicContact CB-CG2 4.45Å; I3446-V3523 CarbonylContact O-C 3.6Å; I3446-V3523 WeakPolarHBondContact O-CA 3.47Å; I3448-V3523 HydrophobicContact CG2-CG1 4.04Å; I3454-V3523 HydrophobicContact CD1-CG1 3.84Å; I3454-V3523 HydrophobicContact CD1-CG2 4.02Å; A3503-V3523 HydrophobicContact CB-CB 4.41Å; A3503-V3523 HydrophobicContact CB-CG1 4.49Å; A3503-V3523 HydrophobicContact CB-CG2 4.03Å; K3504-V3523 PolarHBondContact O-N 2.85Å; I3506-V3523 HydrophobicContact CD1-CG2 3.75Å; I3506-V3523 HydrophobicContact CG1-CG2 4.11Å |
| 3524 | H | 83.5 | Confident | 68.8 | Low | 102 Ų | 102 | 96.5 Ų | 96.5 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 146.7 | 177.6 | -60.5 | -33.9 | 0 | 0 | 0 | 112.4 | I3446 N3447 I3448 | I3446-H3524 PolarHBondContact O-N 3.21Å; N3447-H3524 PolarHBondContact OD1-CD2 2.79Å; I3448-H3524 WeakPolarHBondContact CG2-O 3.48Å; I3448-H3524 PolarHBondContact N-O 2.81Å |
| 3525 | L | 75.5 | Confident | 66.4 | Low | 87 Ų | 87 | 102.2 Ų | 102.2 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 150.9 | -172.3 | -82.8 | 168.1 | 0 | 0 | 0 | 114.8 | I3448 R3450 T3498 | I3448-L3525 HydrophobicContact CG2-CD2 4.33Å; I3448-L3525 CarbonylContact O-C 3.55Å; I3448-L3525 WeakPolarHBondContact O-CA 3.42Å; R3450-L3525 HydrophobicContact CB-CD2 4.49Å; R3450-L3525 HydrophobicContact CG-CD2 4.2Å; T3498-L3525 HydrophobicContact CG2-CD2 4.41Å |
| 3526 | L | 69.7 | Low | 63.8 | Low | 90 Ų | 90 | 107.8 Ų | 107.8 | 47% | 0.471 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -139.7 | 156.1 | -173.8 | -61.6 | 172.1 | 0 | 0 | 0 | 113.8 | N3447 I3448 R3449 R3450 | N3447-L3526 HydrophobicContact CB-CD1 4.37Å; I3448-L3526 PolarHBondContact O-N 3.5Å; R3449-L3526 WeakPolarHBondContact CA-O 3.4Å; R3449-L3526 WeakPolarHBondContact CB-O 3.32Å; R3449-L3526 HydrophobicContact CG-CB 3.97Å; R3450-L3526 PolarHBondContact N-O 2.93Å |
| 3527 | D | 55.2 | Low | 61.2 | Low | 138 Ų | 138 | 109.6 Ų | 109.6 | 74% | 0.738 | 58% | 0.584 | S | S | * | * | trans | -118 | 179.3 | -174.9 | -62.9 | -53.1 | 0 | 0 | 0 | 114.6 | ||||
| 3528 | W | 46.5 | Very low | 58.8 | Low | 194 Ų | 194 | 118.7 Ų | 118.7 | 74% | 0.735 | 62% | 0.62 | S | S | * | * | trans | -148.3 | 164.6 | -164 | -167.8 | 61.1 | 0 | 0 | 0 | 119.2 | A3530 | W3528-A3530 HydrophobicContact CH2-CB 3.48Å; W3528-A3530 VanDerWaalsContact CH2-CB 3.48Å; W3528-A3530 HydrophobicContact CZ2-CB 3.92Å; W3528-A3530 HydrophobicContact CZ3-CB 3.82Å | ||
| 3529 | T | 37.7 | Very low | 56.1 | Low | 127 Ų | 127 | 119.5 Ų | 119.5 | 78% | 0.779 | 63% | 0.634 | S | S | * | * | trans | -154.2 | 157.8 | 179.6 | 49.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 3530 | A | 35.6 | Very low | 53.5 | Low | 73 Ų | 73 | 124.9 Ų | 124.9 | 60% | 0.603 | 67% | 0.669 | S | S | * | * | trans | -150.7 | 159.4 | -161.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | W3528 | W3528-A3530 HydrophobicContact CH2-CB 3.48Å; W3528-A3530 VanDerWaalsContact CH2-CB 3.48Å; W3528-A3530 HydrophobicContact CZ2-CB 3.92Å; W3528-A3530 HydrophobicContact CZ3-CB 3.82Å | ||
| 3531 | P | 34 | Very low | 51.1 | Low | 130 Ų | 130 | 123.2 Ų | 123.2 | 84% | 0.844 | 68% | 0.676 | S | S | * | * | trans | -131.9 | -165.6 | 170.9 | 39 | -20.6 | 0 | 0 | 0 | 118.6 | ||||
| 3532 | Q | 34.3 | Very low | 48.5 | Very low | 204 Ų | 204 | 129.7 Ų | 129.7 | 95% | 0.953 | 71% | 0.71 | S | S | * | * | trans | -120 | -172 | -154.3 | -60.7 | -180 | -54 | 0 | 0 | 120.9 | ||||
| 3533 | Q | 34.1 | Very low | 46 | Very low | 195 Ų | 195 | 132.1 Ų | 132.1 | 91% | 0.911 | 72% | 0.719 | S | S | * | * | trans | -130.3 | 175.5 | -163.7 | -64.9 | -179.3 | -35.4 | 0 | 0 | 118.9 | ||||
| 3534 | V | 34.8 | Very low | 43.7 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 90% | 0.897 | 73% | 0.727 | S | S | * | * | trans | -153.4 | 161.8 | 179.2 | -173.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 3535 | E | 37.7 | Very low | 41.7 | Very low | 189 Ų | 189 | 130.9 Ų | 130.9 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | trans | -133.2 | 175.6 | -174 | -58.8 | -175 | 119.8 | 0 | 0 | 118.7 | ||||
| 3536 | V | 34.1 | Very low | 40.2 | Very low | 144 Ų | 144 | 132.4 Ų | 132.4 | 87% | 0.873 | 74% | 0.742 | S | S | * | * | trans | -153.2 | 150.7 | -179.8 | -172.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 3537 | P | 36.8 | Very low | 39.1 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | trans | -118 | -163.2 | -172.6 | 43.9 | -34.7 | 0 | 0 | 0 | 120.7 | ||||
| 3538 | K | 41.5 | Very low | 39.3 | Very low | 212 Ų | 212 | 128.8 Ų | 128.8 | 92% | 0.922 | 74% | 0.739 | S | S | * | * | trans | -130 | 163.5 | -165.5 | -70.2 | -178.7 | 175.7 | 177.3 | 0 | 118.5 | ||||
| 3539 | A | 35.6 | Very low | 39.9 | Very low | 97 Ų | 97 | 123.8 Ų | 123.8 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | trans | -158.2 | 174 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 3540 | P | 37.3 | Very low | 41.5 | Very low | 123 Ų | 123 | 123.1 Ų | 123.1 | 80% | 0.799 | 72% | 0.72 | S | S | * | * | trans | -117.1 | -142.2 | -153.5 | 48.4 | -37.4 | 0 | 0 | 0 | 118.3 | ||||
| 3541 | P | 41.9 | Very low | 43.4 | Very low | 108 Ų | 108 | 122.5 Ų | 122.5 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | -136.9 | -152.2 | -125.6 | 41.2 | -15.2 | 0 | 0 | 0 | 118.4 | |||||
| 3542 | L | 37.3 | Very low | 45.2 | Very low | 141 Ų | 141 | 118.4 Ų | 118.4 | 74% | 0.738 | 68% | 0.681 | S | S | * | * | trans | 89.6 | 163.7 | 172.8 | -52.7 | 174.4 | 0 | 0 | 0 | 116.8 | ||||
| 3543 | E | 35.8 | Very low | 46.9 | Very low | 133 Ų | 133 | 112.4 Ų | 112.4 | 62% | 0.621 | 66% | 0.659 | S | S | * | * | cis | -157.2 | -170.7 | 3.9 | -145.1 | -121.8 | -88.5 | 0 | 0 | 113 | L3575 L3576 | E3543-L3575 VanDerWaalsContact O-CB 3.31Å; E3543-L3575 WeakPolarHBondContact O-CB 3.41Å; E3543-L3576 PolarHBondContact O-N 3.32Å | ||
| 3544 | G | 38.8 | Very low | 48.3 | Very low | 22 Ų | 22 | 106.4 Ų | 106.4 | 23% | 0.227 | 63% | 0.634 | C | S | . | * | trans | 74 | -175.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | L3575 S3577 | G3544-L3575 VanDerWaalsContact O-CB 3.27Å; G3544-L3575 WeakPolarHBondContact O-CB 3.46Å; G3544-S3577 PolarHBondContact N-OG 3.22Å; G3544-S3577 PolarHBondContact O-OG 2.79Å | ||
| 3545 | G | 41 | Very low | 49.4 | Very low | 66 Ų | 66 | 107.3 Ų | 107.3 | 68% | 0.68 | 62% | 0.621 | S | S | * | * | trans | -165.8 | 130 | -179.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 3546 | M | 45.4 | Very low | 50.2 | Low | 118 Ų | 118 | 105.7 Ų | 105.7 | 58% | 0.581 | 62% | 0.618 | S | S | * | * | trans | -125.7 | 139.5 | 159.9 | 179.5 | 179.7 | 174.9 | 0 | 0 | 107.5 | I3573 K3574 | M3546-I3573 VanDerWaalsContact O-CG1 3.22Å; M3546-I3573 WeakPolarHBondContact O-CG1 3.39Å; M3546-K3574 HydrophobicContact CB-CB 3.63Å; M3546-K3574 HydrophobicContact CB-CD 4.49Å; M3546-K3574 HydrophobicContact CG-CB 4.39Å; M3546-K3574 HydrophobicContact SD-CB 4.1Å; M3546-K3574 HydrophobicContact SD-CD 3.65Å | ||
| 3547 | A | 46.8 | Very low | 51.3 | Low | 79 Ų | 79 | 100.7 Ų | 100.7 | 65% | 0.653 | 59% | 0.588 | S | S | * | * | trans | -53.7 | 137.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 3548 | P | 58.1 | Low | 51.8 | Low | 74 Ų | 74 | 97.9 Ų | 97.9 | 48% | 0.481 | 57% | 0.565 | S | S | . | * | trans | -71.3 | 139.3 | -177.4 | 28.2 | -34.3 | 0 | 0 | 0 | 112.5 | V3571 I3573 L3579 | P3548-V3571 HydrophobicContact CB-CG1 3.55Å; P3548-I3573 HydrophobicContact CB-CB 4.41Å; P3548-I3573 HydrophobicContact CB-CD1 4.29Å; P3548-I3573 HydrophobicContact CB-CG1 4.3Å; P3548-L3579 HydrophobicContact CB-CD1 3.58Å; P3548-L3579 HydrophobicContact CG-CD1 4Å | ||
| 3549 | V | 59.8 | Low | 52.2 | Low | 88 Ų | 88 | 89 Ų | 89 | 53% | 0.533 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 125.7 | 176.4 | 179.7 | 0 | 0 | 0 | 0 | 109.7 | V3551 V3571 R3572 | V3549-V3551 PolarHBondContact O-N 3.19Å; V3549-V3571 CarbonylContact O-C 3.59Å; V3549-V3571 WeakPolarHBondContact O-CA 3.29Å; V3549-R3572 PolarHBondContact N-O 2.93Å; V3549-R3572 PolarHBondContact O-N 2.75Å |
| 3550 | I | 70.3 | Confident | 52.4 | Low | 114 Ų | 114 | 84.9 Ų | 84.9 | 59% | 0.585 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 118.5 | 170.7 | -61.3 | 175.8 | 0 | 0 | 0 | 108.3 | P3553 | I3550-P3553 HydrophobicContact CG2-CB 4.22Å |
| 3551 | V | 76.6 | Confident | 52.2 | Low | 60 Ų | 60 | 86.2 Ų | 86.2 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -35.6 | 177 | -174.9 | 0 | 0 | 0 | 0 | 110.9 | V3549 Q3570 R3572 | V3549-V3551 PolarHBondContact O-N 3.19Å; V3551-Q3570 HydrophobicContact CB-CB 4.3Å; V3551-Q3570 PolarHBondContact N-O 3.12Å; V3551-R3572 HydrophobicContact CG2-CB 3.47Å; V3551-R3572 VanDerWaalsContact CG2-CB 3.47Å |
| 3552 | V | 71.2 | Confident | 52.2 | Low | 43 Ų | 43 | 89 Ų | 89 | 26% | 0.261 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 116.1 | 171.6 | -177 | 0 | 0 | 0 | 0 | 106.6 | C3569 Q3570 | V3552-C3569 WeakPolarHBondContact O-CA 3.43Å; V3552-C3569 WeakPolarHBondContact O-CB 3.34Å; V3552-Q3570 HydrophobicContact CB-CB 3.9Å; V3552-Q3570 HydrophobicContact CB-CG 4.19Å; V3552-Q3570 HydrophobicContact CG2-CB 3.98Å; V3552-Q3570 HydrophobicContact CG2-CG 4.09Å; V3552-Q3570 PolarHBondContact N-O 3.01Å; V3552-Q3570 PolarHBondContact O-N 3.5Å |
| 3553 | P | 70.1 | Confident | 52.5 | Low | 78 Ų | 78 | 86.9 Ų | 86.9 | 51% | 0.506 | 49% | 0.489 | S | S | . | . | trans | -67.4 | 167 | 176.9 | 31.1 | -36.1 | 0 | 0 | 0 | 110.8 | I3550 | I3550-P3553 HydrophobicContact CG2-CB 4.22Š| ||
| 3554 | L | 63.5 | Low | 52.7 | Low | 70 Ų | 70 | 89.5 Ų | 89.5 | 37% | 0.366 | 49% | 0.493 | S | S | . | . | trans | -55.1 | 151.6 | 160.1 | -70.8 | 168.8 | 0 | 0 | 0 | 109.6 | L3567 C3569 I3583 | L3554-L3567 HydrophobicContact CD2-CB 4.07Å; L3554-C3569 HydrophobicContact CD2-CB 4.19Å; L3554-C3569 HydrophobicContact CG-CB 4.28Å; L3554-I3583 HydrophobicContact CD1-CG1 4.29Å; L3554-I3583 HydrophobicContact CD1-CG2 4.06Å | ||
| 3555 | R | 58.7 | Low | 53.3 | Low | 167 Ų | 167 | 91.6 Ų | 91.6 | 63% | 0.63 | 50% | 0.501 | S | S | * | . | trans | -124.6 | 153.4 | 172.9 | -59.1 | -176.4 | -177 | -155.1 | -2.6 | 107.4 | T3557 | R3555-T3557 PolarHBondContact O-N 2.68Å; R3555-T3557 PolarHBondContact O-OG1 2.81Å | ||
| 3556 | D | 54.7 | Low | 54.3 | Low | 155 Ų | 155 | 96.6 Ų | 96.6 | 83% | 0.829 | 50% | 0.504 | S | S | * | . | trans | -56 | 123.9 | 171.5 | -47.1 | -57.7 | 0 | 0 | 0 | 107.9 | ||||
| 3557 | T | 57 | Low | 55.1 | Low | 38 Ų | 38 | 94.8 Ų | 94.8 | 23% | 0.233 | 50% | 0.497 | C | S | . | . | trans | -131.1 | 101.1 | -167.7 | -56.8 | 0 | 0 | 0 | 0 | 106.9 | P2601 R3555 V3565 L3567 | P2601-T3557 HydrophobicContact CB-CG2 3.49Å; P2601-T3557 VanDerWaalsContact CB-CG2 3.49Å; R3555-T3557 PolarHBondContact O-N 2.68Å; R3555-T3557 PolarHBondContact O-OG1 2.81Å; T3557-V3565 HydrophobicContact CG2-CG1 3.46Å; T3557-V3565 VanDerWaalsContact CG2-CG1 3.46Å; T3557-L3567 HydrophobicContact CG2-CD2 4Å | ||
| 3558 | I | 46.2 | Very low | 55.9 | Low | 69 Ų | 69 | 94.4 Ų | 94.4 | 35% | 0.354 | 49% | 0.49 | S | S | . | . | trans | -78 | 150.9 | 179.9 | -56.7 | 170 | 0 | 0 | 0 | 109.4 | ||||
| 3559 | G | 50.1 | Low | 56.4 | Low | 27 Ų | 27 | 92.9 Ų | 92.9 | 28% | 0.278 | 48% | 0.48 | S | S | . | . | trans | -179.8 | 154.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 3560 | D | 40.1 | Very low | 57.1 | Low | 9 Ų | 9 | 94.4 Ų | 94.4 | 5% | 0.048 | 48% | 0.481 | C | S | . | . | trans | -69.2 | 165.4 | -168.9 | -68.2 | -24.3 | 0 | 0 | 0 | 114.9 | N2599 F2626 E3562 D3563 | N2599-D3560 PolarHBondContact ND2-OD2 3.08Å; N2599-D3560 VanDerWaalsContact OD1-CG 3.32Å; N2599-D3560 PolarHBondContact OD1-N 3.38Å; N2599-D3560 PolarHBondContact OD1-OD1 3.32Å; N2599-D3560 PolarHBondContact OD1-OD2 3.18Å; F2626-D3560 WeakPolarHBondContact CD1-OD1 3.38Å; F2626-D3560 HydrophobicContact CE1-CB 4.03Å; F2626-D3560 WeakPolarHBondContact CE1-OD1 3.44Å; D3560-E3562 PolarHBondContact O-N 3.43Å; D3560-D3563 PolarHBondContact O-N 2.97Å | ||
| 3561 | M | 34 | Very low | 56.9 | Low | 152 Ų | 152 | 90.9 Ų | 90.9 | 75% | 0.749 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 119 | 175.2 | -84.3 | -161.1 | -65.5 | 0 | 0 | 111.6 | F2626 | F2626-M3561 HydrophobicContact CZ-CG 4.42Š|
| 3562 | E | 40 | Very low | 56.6 | Low | 166 Ų | 166 | 96.4 Ų | 96.4 | 78% | 0.776 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.8 | -15.6 | -170.8 | -60.2 | -160.6 | -177.1 | 0 | 0 | 115.1 | R2511 D3560 | R2511-E3562 IonicContact NH1-OE2 3.76Å; R2511-E3562 PolarHBondContact NH1-OE2 2.69Å; D3560-E3562 PolarHBondContact O-N 3.43Å |
| 3563 | D | 44.2 | Very low | 56.1 | Low | 96 Ų | 96 | 96.8 Ų | 96.8 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -83.7 | 159 | -179.4 | -161.2 | 21 | 0 | 0 | 0 | 115.5 | D3560 V3565 | D3560-D3563 PolarHBondContact O-N 2.97Å; D3563-V3565 PolarHBondContact O-N 3.44Å |
| 3564 | R | 40.8 | Very low | 55.4 | Low | 188 Ų | 188 | 100.5 Ų | 100.5 | 71% | 0.709 | 49% | 0.488 | S | S | * | . | trans | -89.1 | 72 | -173.7 | -74.5 | -173.9 | 158.5 | -173 | -4.3 | 113.5 | W2832 K3566 | W2832-R3564 HydrophobicContact CH2-CG 4.24Å; W2832-R3564 VanDerWaalsContact CH2-NE 3.31Å; W2832-R3564 HydrophobicContact CZ2-CG 4.26Å; W2832-R3564 VanDerWaalsContact CZ2-NE 3.26Å; W2832-R3564 VanDerWaalsContact CZ2-NH2 3.29Å; R3564-K3566 PolarHBondContact O-N 2.95Å | ||
| 3565 | V | 51.9 | Low | 54.7 | Low | 66 Ų | 66 | 100.8 Ų | 100.8 | 40% | 0.4 | 49% | 0.489 | S | S | . | . | trans | -50.4 | 121.1 | 174.9 | -174.2 | 0 | 0 | 0 | 0 | 112.6 | T3557 D3563 L3567 | T3557-V3565 HydrophobicContact CG2-CG1 3.46Å; T3557-V3565 VanDerWaalsContact CG2-CG1 3.46Å; D3563-V3565 PolarHBondContact O-N 3.44Å; V3565-L3567 HydrophobicContact CG1-CD2 4.19Å; V3565-L3567 HydrophobicContact CG1-CG 4.39Å; V3565-L3567 PolarHBondContact O-N 2.79Å | ||
| 3566 | K | 60.1 | Low | 53.9 | Low | 171 Ų | 171 | 100 Ų | 100 | 74% | 0.743 | 50% | 0.497 | S | S | * | . | trans | -100.6 | 74.5 | -175.7 | -166.5 | -175.1 | 173.9 | 177.7 | 0 | 113.7 | R3564 S3568 | R3564-K3566 PolarHBondContact O-N 2.95Å; K3566-S3568 PolarHBondContact O-N 2.96Å; K3566-S3568 PolarHBondContact O-OG 3.45Å | ||
| 3567 | L | 62.6 | Low | 53.3 | Low | 80 Ų | 80 | 94.6 Ų | 94.6 | 42% | 0.419 | 47% | 0.471 | S | S | . | . | trans | -54.4 | 126.8 | 172.4 | -60.6 | 178.7 | 0 | 0 | 0 | 111.5 | L3554 T3557 V3565 I3583 | L3554-L3567 HydrophobicContact CD2-CB 4.07Å; T3557-L3567 HydrophobicContact CG2-CD2 4Å; V3565-L3567 HydrophobicContact CG1-CD2 4.19Å; V3565-L3567 HydrophobicContact CG1-CG 4.39Å; V3565-L3567 PolarHBondContact O-N 2.79Å; L3567-I3583 HydrophobicContact CD1-CD1 4.48Å; L3567-I3583 HydrophobicContact CD1-CG2 3.53Å | ||
| 3568 | S | 64.6 | Low | 52.8 | Low | 72 Ų | 72 | 101.2 Ų | 101.2 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | trans | -134.2 | 116.2 | -169.6 | -64.9 | 0 | 0 | 0 | 0 | 111.6 | K3566 | K3566-S3568 PolarHBondContact O-N 2.96Å; K3566-S3568 PolarHBondContact O-OG 3.45Å | ||
| 3569 | C | 68 | Low | 53.2 | Low | 42 Ų | 42 | 101.8 Ų | 101.8 | 28% | 0.284 | 50% | 0.503 | S | S | . | . | trans | -123 | 166.1 | 168.4 | 77.3 | 0 | 0 | 0 | 0 | 110.7 | V3552 L3554 | V3552-C3569 WeakPolarHBondContact O-CA 3.43Å; V3552-C3569 WeakPolarHBondContact O-CB 3.34Å; L3554-C3569 HydrophobicContact CD2-CB 4.19Å; L3554-C3569 HydrophobicContact CG-CB 4.28Å | ||
| 3570 | Q | 73.9 | Confident | 53.2 | Low | 119 Ų | 119 | 105.8 Ų | 105.8 | 56% | 0.556 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127.2 | 167.8 | -69.5 | -169.6 | -17.2 | 0 | 0 | 110.4 | V3551 V3552 | V3551-Q3570 HydrophobicContact CB-CB 4.3Å; V3551-Q3570 PolarHBondContact N-O 3.12Å; V3552-Q3570 HydrophobicContact CB-CB 3.9Å; V3552-Q3570 HydrophobicContact CB-CG 4.19Å; V3552-Q3570 HydrophobicContact CG2-CB 3.98Å; V3552-Q3570 HydrophobicContact CG2-CG 4.09Å; V3552-Q3570 PolarHBondContact N-O 3.01Å; V3552-Q3570 PolarHBondContact O-N 3.5Å |
| 3571 | V | 67.8 | Low | 54 | Low | 41 Ų | 41 | 109.4 Ų | 109.4 | 25% | 0.248 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 130.3 | 173.6 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | P3548 V3549 L3579 L3581 | P3548-V3571 HydrophobicContact CB-CG1 3.55Å; V3549-V3571 CarbonylContact O-C 3.59Å; V3549-V3571 WeakPolarHBondContact O-CA 3.29Å; V3571-L3579 HydrophobicContact CB-CD2 4.17Å; V3571-L3579 HydrophobicContact CG1-CD1 3.91Å; V3571-L3579 HydrophobicContact CG1-CD2 4.25Å; V3571-L3579 HydrophobicContact CG2-CD2 4.47Å; V3571-L3581 HydrophobicContact CG2-CD1 3.96Å |
| 3572 | R | 68.3 | Low | 54.9 | Low | 175 Ų | 175 | 107 Ų | 107 | 66% | 0.66 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 110.5 | 171.2 | -179.5 | 179.8 | -64.5 | 161.7 | 1.7 | 108.5 | V3549 V3551 | V3549-R3572 PolarHBondContact N-O 2.93Å; V3549-R3572 PolarHBondContact O-N 2.75Å; V3551-R3572 HydrophobicContact CG2-CB 3.47Å; V3551-R3572 VanDerWaalsContact CG2-CB 3.47Å |
| 3573 | I | 62.6 | Low | 55.6 | Low | 52 Ų | 52 | 101.9 Ų | 101.9 | 27% | 0.267 | 50% | 0.499 | S | S | . | . | trans | -123.7 | 145 | 170.4 | -158.8 | 176.1 | 0 | 0 | 0 | 107.7 | M3546 P3548 L3575 L3579 | M3546-I3573 VanDerWaalsContact O-CG1 3.22Å; M3546-I3573 WeakPolarHBondContact O-CG1 3.39Å; P3548-I3573 HydrophobicContact CB-CB 4.41Å; P3548-I3573 HydrophobicContact CB-CD1 4.29Å; P3548-I3573 HydrophobicContact CB-CG1 4.3Å; I3573-L3575 WeakPolarHBondContact CG2-O 3.45Å; I3573-L3579 HydrophobicContact CD1-CB 4.34Å; I3573-L3579 HydrophobicContact CD1-CD1 4.26Å | ||
| 3574 | K | 54.1 | Low | 55.8 | Low | 156 Ų | 156 | 102.6 Ų | 102.6 | 68% | 0.678 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -90.3 | -13 | -172 | -156.5 | 173.2 | 178.9 | -178.4 | 0 | 114.1 | M3546 | M3546-K3574 HydrophobicContact CB-CB 3.63Å; M3546-K3574 HydrophobicContact CB-CD 4.49Å; M3546-K3574 HydrophobicContact CG-CB 4.39Å; M3546-K3574 HydrophobicContact SD-CB 4.1Å; M3546-K3574 HydrophobicContact SD-CD 3.65Å |
| 3575 | L | 49.1 | Very low | 56 | Low | 76 Ų | 76 | 97.2 Ų | 97.2 | 40% | 0.398 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -148.1 | 163.3 | -175.5 | -84.5 | 89.5 | 0 | 0 | 0 | 109.5 | E3543 G3544 I3573 | E3543-L3575 VanDerWaalsContact O-CB 3.31Å; E3543-L3575 WeakPolarHBondContact O-CB 3.41Å; G3544-L3575 VanDerWaalsContact O-CB 3.27Å; G3544-L3575 WeakPolarHBondContact O-CB 3.46Å; I3573-L3575 WeakPolarHBondContact CG2-O 3.45Å |
| 3576 | L | 42.8 | Very low | 55.4 | Low | 150 Ų | 150 | 103.9 Ų | 103.9 | 79% | 0.785 | 51% | 0.512 | S | S | * | . | trans | -101.8 | -7.2 | -158.4 | -84.6 | 160.7 | 0 | 0 | 0 | 116.6 | E3543 H3578 | E3543-L3576 PolarHBondContact O-N 3.32Å; L3576-H3578 PolarHBondContact O-N 2.95Å | ||
| 3577 | S | 41.1 | Very low | 54.2 | Low | 42 Ų | 42 | 96.2 Ų | 96.2 | 29% | 0.294 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -79.9 | 113 | 178.4 | 16.8 | 0 | 0 | 0 | 0 | 112.8 | G3544 | G3544-S3577 PolarHBondContact N-OG 3.22Å; G3544-S3577 PolarHBondContact O-OG 2.79Å |
| 3578 | H | 47 | Very low | 52.6 | Low | 177 Ų | 177 | 99.4 Ų | 99.4 | 82% | 0.819 | 50% | 0.495 | S | S | * | . | trans | 63.3 | 69.1 | 164.2 | -48.2 | -67.3 | 0 | 0 | 0 | 116.4 | L3576 | L3576-H3578 PolarHBondContact O-N 2.95Š| ||
| 3579 | L | 53.9 | Low | 51.1 | Low | 81 Ų | 81 | 98.9 Ų | 98.9 | 42% | 0.424 | 49% | 0.489 | S | S | . | . | trans | -78.7 | 120.4 | 154.7 | -178.4 | 69.4 | 0 | 0 | 0 | 109.5 | P3548 V3571 I3573 | P3548-L3579 HydrophobicContact CB-CD1 3.58Å; P3548-L3579 HydrophobicContact CG-CD1 4Å; V3571-L3579 HydrophobicContact CB-CD2 4.17Å; V3571-L3579 HydrophobicContact CG1-CD1 3.91Å; V3571-L3579 HydrophobicContact CG1-CD2 4.25Å; V3571-L3579 HydrophobicContact CG2-CD2 4.47Å; I3573-L3579 HydrophobicContact CD1-CB 4.34Å; I3573-L3579 HydrophobicContact CD1-CD1 4.26Å | ||
| 3580 | L | 50.9 | Low | 50.3 | Low | 110 Ų | 110 | 101.7 Ų | 101.7 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | trans | -99.1 | 136.7 | 164.7 | -90.3 | 153.6 | 0 | 0 | 0 | 109.1 | F3582 | L3580-F3582 HydrophobicContact CB-CE2 4.26Å; L3580-F3582 HydrophobicContact CD2-CZ 4.29Å | ||
| 3581 | L | 57.3 | Low | 49 | Very low | 85 Ų | 85 | 100.8 Ų | 100.8 | 45% | 0.445 | 50% | 0.497 | S | S | . | . | trans | -131.6 | 131.6 | 177.7 | -164.9 | 82.6 | 0 | 0 | 0 | 107.6 | V3571 I3583 | V3571-L3581 HydrophobicContact CG2-CD1 3.96Å; L3581-I3583 HydrophobicContact CD2-CD1 4.27Å; L3581-I3583 HydrophobicContact CD2-CG1 4.4Å | ||
| 3582 | F | 52.1 | Low | 48 | Very low | 101 Ų | 101 | 104.1 Ų | 104.1 | 44% | 0.443 | 51% | 0.511 | S | S | . | . | trans | -115.4 | 145 | 177.6 | -62.4 | -84.7 | 0 | 0 | 0 | 108.9 | F2841 L3580 P3589 | F2841-F3582 HydrophobicContact CE2-CZ 4.2Å; L3580-F3582 HydrophobicContact CB-CE2 4.26Å; L3580-F3582 HydrophobicContact CD2-CZ 4.29Å; F3582-P3589 HydrophobicContact CD1-CB 4.39Å | ||
| 3583 | I | 53.6 | Low | 46.8 | Very low | 59 Ų | 59 | 99.9 Ų | 99.9 | 30% | 0.303 | 50% | 0.502 | S | S | . | . | trans | -135.3 | 94 | -173.6 | -59.5 | -173 | 0 | 0 | 0 | 108.7 | L3554 L3567 L3581 S3585 P3589 | L3554-I3583 HydrophobicContact CD1-CG1 4.29Å; L3554-I3583 HydrophobicContact CD1-CG2 4.06Å; L3567-I3583 HydrophobicContact CD1-CD1 4.48Å; L3567-I3583 HydrophobicContact CD1-CG2 3.53Å; L3581-I3583 HydrophobicContact CD2-CD1 4.27Å; L3581-I3583 HydrophobicContact CD2-CG1 4.4Å; I3583-S3585 PolarHBondContact O-N 3.29Å; I3583-P3589 PolarHBondContact N-OXT 3.35Å; I3583-P3589 VanDerWaalsContact N-OXT 3.08Å | ||
| 3584 | L | 49 | Very low | 45.8 | Very low | 111 Ų | 111 | 102.9 Ų | 102.9 | 58% | 0.581 | 52% | 0.516 | S | S | * | . | trans | -73 | 112.2 | -175.9 | -67.9 | 157.3 | 0 | 0 | 0 | 111.5 | E3588 P3589 | L3584-E3588 CarbonylContact C-O 3.46Å; L3584-E3588 WeakPolarHBondContact CA-O 3.31Å; L3584-P3589 HydrophobicContact CD2-CB 4.08Å; L3584-P3589 HydrophobicContact CD2-CG 3.74Å | ||
| 3585 | S | 44.6 | Very low | 45.3 | Very low | 75 Ų | 75 | 99.4 Ų | 99.4 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | B | Isolated β-bridge | trans | -105.1 | 115.3 | 172 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | I3583 G3587 E3588 | I3583-S3585 PolarHBondContact O-N 3.29Å; S3585-G3587 PolarHBondContact O-N 2.81Å; S3585-E3588 PolarHBondContact N-O 2.97Å; S3585-E3588 PolarHBondContact O-N 2.72Å |
| 3586 | Y | 39.2 | Very low | 45 | Very low | 206 Ų | 206 | 101.1 Ų | 101.1 | 81% | 0.808 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 4.9 | -167.7 | -67.3 | -90.7 | 0 | 0 | 0 | 115.6 | ||
| 3587 | G | 36 | Very low | 45.2 | Very low | 10 Ų | 10 | 97.3 Ų | 97.3 | 10% | 0.103 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 104.2 | 8.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q2751 S3585 | Q2751-G3587 WeakPolarHBondContact CB-O 3.22Å; Q2751-G3587 WeakPolarHBondContact CG-O 3.27Å; Q2751-G3587 PolarHBondContact NE2-O 2.97Å; Q2751-G3587 PolarHBondContact OE1-O 3.28Å; S3585-G3587 PolarHBondContact O-N 2.81Å |
| 3588 | E | 28.9 | Very low | 45.5 | Very low | 148 Ų | 148 | 101.9 Ų | 101.9 | 69% | 0.692 | 51% | 0.509 | S | S | * | . | B | Isolated β-bridge | trans | -94.6 | 120.9 | 166.2 | -60.9 | -160.7 | 144.1 | 0 | 0 | 109.9 | L3584 S3585 | L3584-E3588 CarbonylContact C-O 3.46Å; L3584-E3588 WeakPolarHBondContact CA-O 3.31Å; S3585-E3588 PolarHBondContact N-O 2.97Å; S3585-E3588 PolarHBondContact O-N 2.72Å |
| 3589 | P | 33.6 | Very low | 45.4 | Very low | 60 Ų | 60 | 95.1 Ų | 95.1 | 39% | 0.39 | 48% | 0.481 | S | S | . | . | trans | -70.2 | 0 | -171.5 | -22.7 | 30.4 | 0 | 0 | 0 | 120.2 | F2838 F3582 I3583 L3584 | F2838-P3589 HydrophobicContact CE2-CB 3.9Å; F2838-P3589 HydrophobicContact CE2-CG 3.81Å; F2838-P3589 HydrophobicContact CZ-CB 4.25Å; F2838-P3589 HydrophobicContact CZ-CG 3.68Å; F3582-P3589 HydrophobicContact CD1-CB 4.39Å; I3583-P3589 PolarHBondContact N-OXT 3.35Å; I3583-P3589 VanDerWaalsContact N-OXT 3.08Å; L3584-P3589 HydrophobicContact CD2-CB 4.08Å; L3584-P3589 HydrophobicContact CD2-CG 3.74Å |
Retrieved 3,589 of 3,589 residues in 2076.2 ms
(Link to these results)