| 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 | 34.6 | Very low | 70.3 | Confident | 239 Ų | 239 | 90.1 Ų | 90.1 | 100% | 1.177 | 44% | 0.444 | S | S | * | . | 0 | 99.9 | 0 | -168.7 | 174.3 | -80.8 | 0 | 0 | 105.3 | |||||
| 2 | T | 43 | Very low | 71.3 | Confident | 128 Ų | 128 | 91.3 Ų | 91.3 | 79% | 0.785 | 45% | 0.454 | S | S | * | . | trans | -74 | 126.4 | -171.9 | 41.1 | 0 | 0 | 0 | 0 | 110 | E4 | T2-E4 PolarHBondContact O-N 3.32Å; T2-E4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | E | 53.9 | Low | 72.1 | Confident | 181 Ų | 181 | 86.1 Ų | 86.1 | 85% | 0.846 | 43% | 0.426 | S | S | * | . | trans | -69.5 | 105 | 171.7 | -68 | -172.7 | 115.1 | 0 | 0 | 108.8 | V5 | E3-V5 PolarHBondContact O-N 3.33Š| ||
| 4 | E | 65.5 | Low | 72.9 | Confident | 117 Ų | 117 | 90.1 Ų | 90.1 | 55% | 0.547 | 45% | 0.448 | S | S | . | . | trans | -70 | 98.9 | 175.4 | -68.2 | -174.7 | 118.8 | 0 | 0 | 109.5 | T2 I6 Y30 R42 | T2-E4 PolarHBondContact O-N 3.32Å; T2-E4 VanDerWaalsContact O-N 3.1Å; E4-I6 PolarHBondContact O-N 3.49Å; E4-Y30 HydrophobicContact CB-CD1 4.04Å; E4-Y30 HydrophobicContact CB-CE1 4.48Å; E4-R42 IonicContact OE1-CZ 3.86Å; E4-R42 IonicContact OE1-NH2 3.73Å; E4-R42 PolarHBondContact OE1-NH2 2.97Å | ||
| 5 | V | 79.8 | Confident | 73.7 | Confident | 56 Ų | 56 | 86.5 Ų | 86.5 | 34% | 0.339 | 44% | 0.438 | S | S | . | . | trans | -69.7 | 124.2 | 179.2 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | E3 L31 R58 | E3-V5 PolarHBondContact O-N 3.33Å; V5-L31 HydrophobicContact CB-CB 4.18Å; V5-L31 HydrophobicContact CB-CD2 4.32Å; V5-L31 HydrophobicContact CG1-CB 4.24Å; V5-L31 HydrophobicContact CG1-CD2 3.88Å; V5-L31 WeakPolarHBondContact O-CB 3.36Å; V5-L31 PolarHBondContact O-N 3.21Å; V5-R58 HydrophobicContact CG1-CG 4.09Å | ||
| 6 | I | 85.5 | Confident | 73.7 | Confident | 55 Ų | 55 | 91.1 Ų | 91.1 | 28% | 0.282 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 129.8 | 177.6 | -62.2 | 171.2 | 0 | 0 | 0 | 109.7 | E4 R28 L29 Y30 K59 | E4-I6 PolarHBondContact O-N 3.49Å; I6-R28 HydrophobicContact CG2-CB 4.33Å; I6-L29 WeakPolarHBondContact CA-O 3.36Å; I6-Y30 HydrophobicContact CD1-CE1 4.14Å; I6-Y30 HydrophobicContact CG1-CD1 3.94Å; I6-Y30 HydrophobicContact CG1-CE1 3.91Å; I6-K59 PolarHBondContact O-N 2.95Å |
| 7 | V | 87.9 | Confident | 73.4 | Confident | 0 Ų | 0 | 92.8 Ų | 92.8 | 0% | 0 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 158.1 | 166.7 | -65.2 | 0 | 0 | 0 | 0 | 111.3 | R28 L29 L31 W39 V41 V56 E57 R58 | V7-R28 WeakPolarHBondContact O-CA 3.38Å; V7-L29 HydrophobicContact CG2-CB 3.88Å; V7-L29 HydrophobicContact CG2-CD1 4.38Å; V7-L29 PolarHBondContact N-O 2.83Å; V7-L29 PolarHBondContact O-N 2.74Å; V7-L31 HydrophobicContact CG1-CB 3.97Å; V7-L31 HydrophobicContact CG1-CD1 4.4Å; V7-L31 HydrophobicContact CG1-CD2 4.14Å; V7-L31 HydrophobicContact CG1-CG 4.42Å; V7-W39 HydrophobicContact CG1-CE3 4.14Å; V7-W39 HydrophobicContact CG1-CZ3 3.92Å; V7-V41 HydrophobicContact CG2-CG1 3.9Å; V7-V56 HydrophobicContact CB-CB 4.25Å; V7-V56 HydrophobicContact CG2-CB 4.28Å; V7-V56 HydrophobicContact CG2-CG1 4.42Å; V7-E57 CarbonylContact C-O 3.5Å; V7-E57 WeakPolarHBondContact CA-O 3.37Å; V7-E57 WeakPolarHBondContact CB-O 3.3Å; V7-R58 HydrophobicContact CG1-CB 4.38Å; V7-R58 HydrophobicContact CG1-CG 3.6Å |
| 8 | V | 85.7 | Confident | 73.6 | Confident | 24 Ų | 24 | 97.4 Ų | 97.4 | 15% | 0.145 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.5 | 175.6 | 176.4 | 0 | 0 | 0 | 0 | 109 | K10 E27 R28 V56 E57 K59 | V8-K10 PolarHBondContact O-N 3.14Å; V8-E27 CarbonylContact C-O 3.58Å; V8-E27 VanDerWaalsContact CA-O 3.25Å; V8-E27 WeakPolarHBondContact CA-O 3.49Å; V8-R28 HydrophobicContact CG2-CG 4.06Å; V8-V56 CarbonylContact O-C 3.54Å; V8-V56 WeakPolarHBondContact O-CA 3.47Å; V8-E57 PolarHBondContact N-O 3.14Å; V8-E57 PolarHBondContact O-N 2.94Å; V8-K59 HydrophobicContact CG2-CB 3.89Å; V8-K59 HydrophobicContact CG2-CD 3.69Å; V8-K59 HydrophobicContact CG2-CG 4.43Å |
| 9 | A | 87.8 | Confident | 73.8 | Confident | 0 Ų | 0 | 99.3 Ų | 99.3 | 0% | 0 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 128.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | I23 R24 N26 E27 Y55 V56 | A9-I23 HydrophobicContact CB-CB 4.18Å; A9-I23 HydrophobicContact CB-CD1 3.81Å; A9-I23 HydrophobicContact CB-CG1 4.27Å; A9-R24 WeakPolarHBondContact CB-O 3.41Å; A9-N26 WeakPolarHBondContact O-CA 3.49Å; A9-N26 PolarHBondContact O-N 3.21Å; A9-E27 PolarHBondContact N-O 2.7Å; A9-Y55 CarbonylContact C-O 3.54Å; A9-Y55 WeakPolarHBondContact CA-O 3.08Å; A9-V56 HydrophobicContact CB-CG1 4.29Å |
| 10 | K | 78.1 | Confident | 74.5 | Confident | 71 Ų | 71 | 95.4 Ų | 95.4 | 31% | 0.309 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -94.4 | -11.2 | 178.2 | -2.6 | -176.9 | -163.7 | -163.4 | 0 | 113.6 | V8 K25 Y55 E57 | V8-K10 PolarHBondContact O-N 3.14Å; K10-K25 VanDerWaalsContact O-CD 3.25Å; K10-K25 WeakPolarHBondContact O-CD 3.3Å; K10-K25 WeakPolarHBondContact O-CE 3.4Å; K10-K25 WeakPolarHBondContact O-CG 3.31Å; K10-Y55 PolarHBondContact N-O 3.15Å; K10-E57 HydrophobicContact CD-CB 4.11Å; K10-E57 WeakPolarHBondContact CD-OE2 2.85Å; K10-E57 WeakPolarHBondContact CE-OE2 3.43Å; K10-E57 HydrophobicContact CG-CB 4.22Å; K10-E57 IonicContact NZ-OE2 2.8Å; K10-E57 PolarHBondContact NZ-OE2 2.96Å |
| 11 | W | 71.8 | Confident | 75.1 | Confident | 120 Ų | 120 | 91.2 Ų | 91.2 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -141.1 | 161.8 | 173.8 | -56.4 | -100.8 | 0 | 0 | 0 | 110.3 | N54 Y55 | W11-N54 WeakPolarHBondContact CZ3-O 2.94Å; W11-Y55 HydrophobicContact CB-CD1 3.84Å; W11-Y55 HydrophobicContact CB-CE1 3.98Å; W11-Y55 HydrophobicContact CE3-CG 4.42Å |
| 12 | D | 81.9 | Confident | 77.7 | Confident | 105 Ų | 105 | 83.5 Ų | 83.5 | 56% | 0.561 | 42% | 0.42 | S | S | * | . | trans | -73.9 | 139.7 | 168.3 | -53.4 | -73.2 | 0 | 0 | 0 | 110 | I23 R24 K25 | D12-I23 CarbonylContact C-O 3.56Å; D12-I23 WeakPolarHBondContact CA-O 3.48Å; D12-R24 VanDerWaalsContact OD1-CA 3.26Å; D12-R24 WeakPolarHBondContact OD1-CA 3.16Å; D12-K25 PolarHBondContact OD1-N 3.46Å | ||
| 13 | Y | 81.6 | Confident | 79.9 | Confident | 23 Ų | 23 | 77.6 Ų | 77.6 | 9% | 0.09 | 38% | 0.383 | C | S | . | . | B | Isolated β-bridge | trans | -141.6 | 134 | 176.3 | 178.7 | -96.4 | 0 | 0 | 0 | 109.5 | E20 D22 I23 W38 P52 Y55 | Y13-E20 PolarHBondContact OH-OE2 3.21Å; Y13-D22 WeakPolarHBondContact O-CA 3.38Å; Y13-I23 HydrophobicContact CD1-CG1 4.48Å; Y13-I23 PolarHBondContact N-O 2.88Å; Y13-I23 PolarHBondContact O-N 2.83Å; Y13-W38 HydrophobicContact CE1-CZ3 4.35Å; Y13-W38 VanDerWaalsContact OH-CH2 3.25Å; Y13-W38 WeakPolarHBondContact OH-CH2 3.5Å; Y13-P52 HydrophobicContact CD2-CG 4.15Å; Y13-P52 HydrophobicContact CE2-CG 3.87Å; Y13-Y55 HydrophobicContact CD2-CD1 4.23Å; Y13-Y55 HydrophobicContact CD2-CE1 4.1Å; Y13-Y55 HydrophobicContact CG-CD1 4.42Å |
| 14 | I | 83.8 | Confident | 81.4 | Confident | 142 Ų | 142 | 77.1 Ų | 77.1 | 73% | 0.728 | 37% | 0.373 | S | S | * | . | trans | -107.6 | 124.6 | 177.8 | -60.3 | 170.5 | 0 | 0 | 0 | 106.6 | Q16 | I14-Q16 PolarHBondContact O-N 2.91Š| ||
| 15 | A | 84.8 | Confident | 82.3 | Confident | 36 Ų | 36 | 76.9 Ų | 76.9 | 30% | 0.298 | 37% | 0.371 | S | S | . | . | trans | -53.8 | 126.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | E20 | A15-E20 HydrophobicContact CB-CB 3.74Š| ||
| 16 | Q | 72.9 | Confident | 82.4 | Confident | 160 Ų | 160 | 80 Ų | 80 | 75% | 0.748 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -98.6 | -14.6 | 176.7 | -55.5 | -174.5 | 18.3 | 0 | 0 | 111.9 | I14 E20 | I14-Q16 PolarHBondContact O-N 2.91Å; Q16-E20 WeakPolarHBondContact CA-OE2 3.46Å; Q16-E20 PolarHBondContact N-OE2 3.23Å |
| 17 | Q | 69.9 | Low | 82.5 | Confident | 120 Ų | 120 | 79.4 Ų | 79.4 | 56% | 0.561 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -134.5 | 154.8 | 179.6 | -57.7 | 177.5 | 59.7 | 0 | 0 | 111.6 | Q19 E20 | Q17-Q19 PolarHBondContact O-N 3.22Å; Q17-E20 HydrophobicContact CB-CG 4.08Å; Q17-E20 VanDerWaalsContact CD-OE1 3.28Å; Q17-E20 WeakPolarHBondContact CG-OE1 3.39Å; Q17-E20 PolarHBondContact N-OE2 2.95Å; Q17-E20 VanDerWaalsContact N-OE2 3.13Å; Q17-E20 PolarHBondContact NE2-OE1 2.88Å; Q17-E20 WeakPolarHBondContact O-CB 3.43Å; Q17-E20 PolarHBondContact O-N 3.27Å |
| 18 | D | 75.8 | Confident | 82.6 | Confident | 176 Ų | 176 | 85.8 Ų | 85.8 | 94% | 0.941 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -12 | -177.1 | -52.2 | -74.3 | 0 | 0 | 0 | 115.3 | ||
| 19 | Q | 77.9 | Confident | 82.8 | Confident | 134 Ų | 134 | 84.6 Ų | 84.6 | 63% | 0.626 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -7.8 | 178 | -59.8 | -176.7 | 47.4 | 0 | 0 | 112.9 | Q17 G49 Y50 | Q17-Q19 PolarHBondContact O-N 3.22Å; Q19-G49 CarbonylContact O-C 3.57Å; Q19-G49 VanDerWaalsContact O-CA 3.26Å; Q19-G49 WeakPolarHBondContact O-CA 3.46Å; Q19-Y50 HydrophobicContact CB-CD2 4.07Å; Q19-Y50 HydrophobicContact CB-CE2 4.41Å; Q19-Y50 VanDerWaalsContact O-CD2 3.31Å; Q19-Y50 WeakPolarHBondContact O-CD2 3.38Å; Q19-Y50 PolarHBondContact O-N 3.39Å |
| 20 | E | 87.9 | Confident | 82.8 | Confident | 20 Ų | 20 | 88.2 Ų | 88.2 | 9% | 0.093 | 41% | 0.413 | C | S | . | . | B | Isolated β-bridge | trans | -89.6 | 161 | -178.8 | -64.6 | 167.6 | -171.4 | 0 | 0 | 110.9 | Y13 A15 Q16 Q17 W38 Y50 | Y13-E20 PolarHBondContact OH-OE2 3.21Å; A15-E20 HydrophobicContact CB-CB 3.74Å; Q16-E20 WeakPolarHBondContact CA-OE2 3.46Å; Q16-E20 PolarHBondContact N-OE2 3.23Å; Q17-E20 HydrophobicContact CB-CG 4.08Å; Q17-E20 VanDerWaalsContact CD-OE1 3.28Å; Q17-E20 WeakPolarHBondContact CG-OE1 3.39Å; Q17-E20 PolarHBondContact N-OE2 2.95Å; Q17-E20 VanDerWaalsContact N-OE2 3.13Å; Q17-E20 PolarHBondContact NE2-OE1 2.88Å; Q17-E20 WeakPolarHBondContact O-CB 3.43Å; Q17-E20 PolarHBondContact O-N 3.27Å; E20-W38 HydrophobicContact CG-CE3 4.34Å; E20-W38 HydrophobicContact CG-CH2 4.3Å; E20-W38 HydrophobicContact CG-CZ3 3.67Å; E20-W38 WeakPolarHBondContact OE1-CH2 3.45Å; E20-Y50 CarbonylContact C-O 3.54Å; E20-Y50 WeakPolarHBondContact CA-O 3.36Å; E20-Y50 WeakPolarHBondContact CB-O 3.28Å |
| 21 | L | 87.4 | Confident | 83.3 | Confident | 8 Ų | 8 | 85.8 Ų | 85.8 | 4% | 0.042 | 40% | 0.403 | C | S | . | . | trans | -113.6 | 132.9 | 176.9 | -159.5 | 68.4 | 0 | 0 | 0 | 110.3 | I23 V41 N43 Q47 Y50 V51 | L21-I23 HydrophobicContact CD2-CG2 4.4Å; L21-V41 HydrophobicContact CD2-CG2 3.92Å; L21-N43 HydrophobicContact CD2-CB 3.97Å; L21-Q47 HydrophobicContact CD1-CB 3.84Å; L21-Y50 PolarHBondContact N-O 3.38Å; L21-V51 HydrophobicContact CB-CG1 3.96Å | ||
| 22 | D | 87.8 | Confident | 83.9 | Confident | 78 Ų | 78 | 84.2 Ų | 84.2 | 42% | 0.417 | 40% | 0.403 | S | S | . | . | trans | -67.7 | 134.5 | 164.7 | 61.4 | -68.4 | 0 | 0 | 0 | 109.8 | Y13 | Y13-D22 WeakPolarHBondContact O-CA 3.38Š| ||
| 23 | I | 89.9 | Confident | 83.7 | Confident | 3 Ų | 3 | 81.6 Ų | 81.6 | 2% | 0.015 | 39% | 0.389 | C | S | . | . | B | Isolated β-bridge | trans | -138.6 | 142 | -179.6 | 57.2 | 168.5 | 0 | 0 | 0 | 109.8 | A9 D12 Y13 L21 L29 V51 V56 | A9-I23 HydrophobicContact CB-CB 4.18Å; A9-I23 HydrophobicContact CB-CD1 3.81Å; A9-I23 HydrophobicContact CB-CG1 4.27Å; D12-I23 CarbonylContact C-O 3.56Å; D12-I23 WeakPolarHBondContact CA-O 3.48Å; Y13-I23 HydrophobicContact CD1-CG1 4.48Å; Y13-I23 PolarHBondContact N-O 2.88Å; Y13-I23 PolarHBondContact O-N 2.83Å; L21-I23 HydrophobicContact CD2-CG2 4.4Å; I23-L29 HydrophobicContact CB-CD1 4.18Å; I23-L29 HydrophobicContact CD1-CD1 4.49Å; I23-L29 HydrophobicContact CG2-CD1 3.49Å; I23-L29 VanDerWaalsContact CG2-CD1 3.49Å; I23-L29 HydrophobicContact CG2-CD2 3.91Å; I23-L29 HydrophobicContact CG2-CG 4.33Å; I23-V51 HydrophobicContact CD1-CB 3.95Å; I23-V51 HydrophobicContact CD1-CG1 3.91Å; I23-V51 HydrophobicContact CD1-CG2 4.4Å; I23-V51 HydrophobicContact CG1-CG1 4.23Å; I23-V51 HydrophobicContact CG2-CG1 3.73Å; I23-V56 HydrophobicContact CD1-CG1 3.85Å |
| 24 | R | 86.5 | Confident | 83.7 | Confident | 171 Ų | 171 | 83.7 Ų | 83.7 | 65% | 0.645 | 40% | 0.402 | S | S | * | . | trans | -104.8 | 151.6 | 178 | -61.9 | -175.9 | -172.9 | -179.9 | 2.7 | 111.8 | A9 D12 N26 E27 | A9-R24 WeakPolarHBondContact CB-O 3.41Å; D12-R24 VanDerWaalsContact OD1-CA 3.26Å; D12-R24 WeakPolarHBondContact OD1-CA 3.16Å; R24-N26 PolarHBondContact O-N 3.45Å; R24-E27 HydrophobicContact CB-CB 4.36Å; R24-E27 PolarHBondContact N-OE2 3.12Å; R24-E27 WeakPolarHBondContact O-CB 3.17Å; R24-E27 PolarHBondContact O-N 3.44Å | ||
| 25 | K | 84.3 | Confident | 82.6 | Confident | 113 Ų | 113 | 80 Ų | 80 | 49% | 0.491 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 132.4 | 174.8 | -178.7 | 163.4 | -175 | 165.1 | 0 | 110.8 | K10 D12 E27 | K10-K25 VanDerWaalsContact O-CD 3.25Å; K10-K25 WeakPolarHBondContact O-CD 3.3Å; K10-K25 WeakPolarHBondContact O-CE 3.4Å; K10-K25 WeakPolarHBondContact O-CG 3.31Å; D12-K25 PolarHBondContact OD1-N 3.46Å; K25-E27 PolarHBondContact O-N 3.47Å |
| 26 | N | 81.7 | Confident | 81.9 | Confident | 120 Ų | 120 | 84.5 Ų | 84.5 | 64% | 0.642 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 7.5 | -172.1 | -53.5 | -44.6 | 0 | 0 | 0 | 116 | A9 R24 | A9-N26 WeakPolarHBondContact O-CA 3.49Å; A9-N26 PolarHBondContact O-N 3.21Å; R24-N26 PolarHBondContact O-N 3.45Å |
| 27 | E | 87.7 | Confident | 81.4 | Confident | 43 Ų | 43 | 82 Ų | 82 | 20% | 0.201 | 40% | 0.397 | C | S | . | . | trans | -66.5 | 144.2 | 171.9 | -171.7 | 170.9 | 177.3 | 0 | 0 | 111.3 | V8 A9 R24 K25 L29 | V8-E27 CarbonylContact C-O 3.58Å; V8-E27 VanDerWaalsContact CA-O 3.25Å; V8-E27 WeakPolarHBondContact CA-O 3.49Å; A9-E27 PolarHBondContact N-O 2.7Å; R24-E27 HydrophobicContact CB-CB 4.36Å; R24-E27 PolarHBondContact N-OE2 3.12Å; R24-E27 WeakPolarHBondContact O-CB 3.17Å; R24-E27 PolarHBondContact O-N 3.44Å; K25-E27 PolarHBondContact O-N 3.47Å; E27-L29 HydrophobicContact CG-CD2 3.91Å | ||
| 28 | R | 88.8 | Confident | 81.9 | Confident | 134 Ų | 134 | 80.5 Ų | 80.5 | 51% | 0.506 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 125.7 | -179.2 | -68.6 | 166.9 | 179.9 | -111.6 | 13.3 | 109.7 | I6 V7 V8 | I6-R28 HydrophobicContact CG2-CB 4.33Å; V7-R28 WeakPolarHBondContact O-CA 3.38Å; V8-R28 HydrophobicContact CG2-CG 4.06Å |
| 29 | L | 89.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 147.5 | -175.1 | -43.1 | 158.1 | 0 | 0 | 0 | 108.4 | I6 V7 I23 E27 V41 R42 N43 V56 | I6-L29 WeakPolarHBondContact CA-O 3.36Å; V7-L29 HydrophobicContact CG2-CB 3.88Å; V7-L29 HydrophobicContact CG2-CD1 4.38Å; V7-L29 PolarHBondContact N-O 2.83Å; V7-L29 PolarHBondContact O-N 2.74Å; I23-L29 HydrophobicContact CB-CD1 4.18Å; I23-L29 HydrophobicContact CD1-CD1 4.49Å; I23-L29 HydrophobicContact CG2-CD1 3.49Å; I23-L29 VanDerWaalsContact CG2-CD1 3.49Å; I23-L29 HydrophobicContact CG2-CD2 3.91Å; I23-L29 HydrophobicContact CG2-CG 4.33Å; E27-L29 HydrophobicContact CG-CD2 3.91Å; L29-V41 HydrophobicContact CB-CB 4.04Å; L29-V41 HydrophobicContact CD1-CB 4.34Å; L29-V41 HydrophobicContact CD1-CG2 4.09Å; L29-R42 CarbonylContact C-O 3.54Å; L29-R42 WeakPolarHBondContact CA-O 3.26Å; L29-N43 HydrophobicContact CD2-CB 3.81Å; L29-V56 HydrophobicContact CD1-CG1 4.07Å |
| 30 | Y | 89.4 | Confident | 82.9 | Confident | 75 Ų | 75 | 72 Ų | 72 | 29% | 0.294 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 122.6 | 171.6 | -59.9 | -83.4 | 0 | 0 | 0 | 108.7 | E4 I6 V41 R42 | E4-Y30 HydrophobicContact CB-CD1 4.04Å; E4-Y30 HydrophobicContact CB-CE1 4.48Å; I6-Y30 HydrophobicContact CD1-CE1 4.14Å; I6-Y30 HydrophobicContact CG1-CD1 3.94Å; I6-Y30 HydrophobicContact CG1-CE1 3.91Å; Y30-V41 CarbonylContact O-C 3.4Å; Y30-V41 VanDerWaalsContact O-CA 3.27Å; Y30-V41 WeakPolarHBondContact O-CA 3.47Å; Y30-R42 PolarHBondContact N-O 3Å; Y30-R42 PolarHBondContact O-N 3.24Å |
| 31 | L | 88.1 | Confident | 83 | Confident | 20 Ų | 20 | 71 Ų | 71 | 11% | 0.105 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 127.5 | 174.3 | -178.1 | 64.7 | 0 | 0 | 0 | 109.3 | V5 V7 D34 W39 V41 R58 | V5-L31 HydrophobicContact CB-CB 4.18Å; V5-L31 HydrophobicContact CB-CD2 4.32Å; V5-L31 HydrophobicContact CG1-CB 4.24Å; V5-L31 HydrophobicContact CG1-CD2 3.88Å; V5-L31 WeakPolarHBondContact O-CB 3.36Å; V5-L31 PolarHBondContact O-N 3.21Å; V7-L31 HydrophobicContact CG1-CB 3.97Å; V7-L31 HydrophobicContact CG1-CD1 4.4Å; V7-L31 HydrophobicContact CG1-CD2 4.14Å; V7-L31 HydrophobicContact CG1-CG 4.42Å; L31-D34 HydrophobicContact CD1-CB 4.16Å; L31-D34 HydrophobicContact CD2-CB 4.06Å; L31-W39 HydrophobicContact CD1-CB 3.91Å; L31-W39 HydrophobicContact CD1-CD2 4.07Å; L31-W39 HydrophobicContact CD1-CE3 3.81Å; L31-W39 HydrophobicContact CD1-CG 4.15Å; L31-V41 HydrophobicContact CD1-CG1 4.23Å; L31-R58 HydrophobicContact CD2-CG 4.2Å |
| 32 | L | 83.9 | Confident | 83.2 | Confident | 87 Ų | 87 | 73.2 Ų | 73.2 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -34.2 | 177.1 | -58.7 | -179.9 | 0 | 0 | 0 | 111.9 | R40 R42 T48 | L32-R40 HydrophobicContact CB-CB 4.31Å; L32-R40 HydrophobicContact CB-CG 4.38Å; L32-R40 WeakPolarHBondContact CB-O 3.48Å; L32-R40 HydrophobicContact CD1-CG 4.35Å; L32-R40 PolarHBondContact N-O 3.47Å; L32-R42 HydrophobicContact CD1-CB 4.08Å; L32-R42 HydrophobicContact CD2-CB 4.5Å; L32-R42 HydrophobicContact CG-CB 4.3Å; L32-T48 HydrophobicContact CD1-CG2 3.73Å |
| 33 | D | 77.7 | Confident | 83.2 | Confident | 51 Ų | 51 | 69.9 Ų | 69.9 | 27% | 0.273 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 123.1 | -178.5 | -177.7 | 4.3 | 0 | 0 | 0 | 110 | S35 W39 R40 | D33-S35 WeakPolarHBondContact OD1-CB 3.44Å; D33-S35 PolarHBondContact OD1-N 3.23Å; D33-S35 PolarHBondContact OD1-OG 3.44Å; D33-S35 PolarHBondContact OD2-OG 3.04Å; D33-W39 CarbonylContact O-C 3.55Å; D33-W39 VanDerWaalsContact O-CA 3.28Å; D33-W39 WeakPolarHBondContact O-CA 3.35Å; D33-R40 HydrophobicContact CB-CB 3.8Å; D33-R40 PolarHBondContact N-O 3.19Å; D33-R40 PolarHBondContact O-N 2.73Å |
| 34 | D | 82 | Confident | 82.9 | Confident | 67 Ų | 67 | 74.9 Ų | 74.9 | 36% | 0.358 | 35% | 0.352 | S | S | . | . | trans | -112.5 | 13.5 | 172.4 | 67.6 | -27.5 | 0 | 0 | 0 | 113.7 | L31 K36 W39 R58 | L31-D34 HydrophobicContact CD1-CB 4.16Å; L31-D34 HydrophobicContact CD2-CB 4.06Å; D34-K36 PolarHBondContact O-N 2.79Å; D34-W39 HydrophobicContact CB-CD2 3.92Å; D34-W39 HydrophobicContact CB-CG 4.09Å; D34-W39 HydrophobicContact CB-CZ2 4.17Å; D34-R58 IonicContact OD2-CZ 2.68Å; D34-R58 IonicContact OD2-NH1 2.72Å; D34-R58 PolarHBondContact OD2-NH1 2.96Å; D34-R58 IonicContact OD2-NH2 3.93Å | ||
| 35 | S | 61 | Low | 82.9 | Confident | 64 Ų | 64 | 69.9 Ų | 69.9 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -67.6 | -7.7 | -174.3 | 67.6 | 0 | 0 | 0 | 0 | 115.4 | D33 | D33-S35 WeakPolarHBondContact OD1-CB 3.44Å; D33-S35 PolarHBondContact OD1-N 3.23Å; D33-S35 PolarHBondContact OD1-OG 3.44Å; D33-S35 PolarHBondContact OD2-OG 3.04Å |
| 36 | K | 68.8 | Low | 82.9 | Confident | 130 Ų | 130 | 69.7 Ų | 69.7 | 57% | 0.565 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -133.6 | 172.2 | -173.9 | -64.3 | 176.2 | -174.2 | 172.9 | 0 | 111.2 | D34 W38 W39 | D34-K36 PolarHBondContact O-N 2.79Å; K36-W38 PolarHBondContact O-N 3.21Å; K36-W39 PolarHBondContact O-NE1 2.75Å |
| 37 | T | 63 | Low | 83.1 | Confident | 107 Ų | 107 | 69 Ų | 69 | 66% | 0.656 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -67.8 | -17.8 | 172.6 | 49.8 | 0 | 0 | 0 | 0 | 113.8 | S53 | T37-S53 VanDerWaalsContact O-CB 3.26Å; T37-S53 WeakPolarHBondContact O-CB 3.3Å; T37-S53 PolarHBondContact O-N 3.44Å; T37-S53 PolarHBondContact O-OG 2.81Å |
| 38 | W | 81.3 | Confident | 83.2 | Confident | 90 Ų | 90 | 70 Ų | 70 | 34% | 0.341 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 116.9 | 169.2 | -72.9 | 75.5 | 0 | 0 | 0 | 108.5 | Y13 E20 K36 Y50 V51 P52 | Y13-W38 HydrophobicContact CE1-CZ3 4.35Å; Y13-W38 VanDerWaalsContact OH-CH2 3.25Å; Y13-W38 WeakPolarHBondContact OH-CH2 3.5Å; E20-W38 HydrophobicContact CG-CE3 4.34Å; E20-W38 HydrophobicContact CG-CH2 4.3Å; E20-W38 HydrophobicContact CG-CZ3 3.67Å; E20-W38 WeakPolarHBondContact OE1-CH2 3.45Å; K36-W38 PolarHBondContact O-N 3.21Å; W38-Y50 HydrophobicContact CB-CD1 4.44Å; W38-V51 CarbonylContact C-O 3.5Å; W38-V51 WeakPolarHBondContact CA-O 3.49Å; W38-P52 HydrophobicContact CE3-CG 4.16Å; W38-P52 HydrophobicContact CH2-CG 3.97Å; W38-P52 HydrophobicContact CZ2-CG 4.35Å; W38-P52 HydrophobicContact CZ3-CG 3.83Å |
| 39 | W | 87.2 | Confident | 83.1 | Confident | 31 Ų | 31 | 63.8 Ų | 63.8 | 12% | 0.117 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 133.5 | -178.5 | -70 | 1.9 | 0 | 0 | 0 | 109.7 | V7 L31 D33 D34 K36 V41 Y50 V51 S53 V56 R58 | V7-W39 HydrophobicContact CG1-CE3 4.14Å; V7-W39 HydrophobicContact CG1-CZ3 3.92Å; L31-W39 HydrophobicContact CD1-CB 3.91Å; L31-W39 HydrophobicContact CD1-CD2 4.07Å; L31-W39 HydrophobicContact CD1-CE3 3.81Å; L31-W39 HydrophobicContact CD1-CG 4.15Å; D33-W39 CarbonylContact O-C 3.55Å; D33-W39 VanDerWaalsContact O-CA 3.28Å; D33-W39 WeakPolarHBondContact O-CA 3.35Å; D34-W39 HydrophobicContact CB-CD2 3.92Å; D34-W39 HydrophobicContact CB-CG 4.09Å; D34-W39 HydrophobicContact CB-CZ2 4.17Å; K36-W39 PolarHBondContact O-NE1 2.75Å; W39-V41 HydrophobicContact CB-CG1 4.37Å; W39-Y50 WeakPolarHBondContact O-CA 3.3Å; W39-V51 HydrophobicContact CB-CG2 4.49Å; W39-V51 PolarHBondContact N-O 3.48Å; W39-V51 PolarHBondContact O-N 3.02Å; W39-S53 VanDerWaalsContact NE1-CB 3.33Å; W39-V56 HydrophobicContact CD2-CG2 4.14Å; W39-V56 HydrophobicContact CE3-CG2 3.39Å; W39-V56 HydrophobicContact CZ3-CG2 3.82Å; W39-R58 HydrophobicContact CH2-CG 4.4Å; W39-R58 HydrophobicContact CZ3-CG 4.14Å |
| 40 | R | 86.5 | Confident | 82.9 | Confident | 100 Ų | 100 | 66.7 Ų | 66.7 | 38% | 0.377 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 122.8 | 171.5 | -162 | 179.8 | 175.2 | -176.1 | -1.8 | 108.3 | L32 D33 T48 Y50 | L32-R40 HydrophobicContact CB-CB 4.31Å; L32-R40 HydrophobicContact CB-CG 4.38Å; L32-R40 WeakPolarHBondContact CB-O 3.48Å; L32-R40 HydrophobicContact CD1-CG 4.35Å; L32-R40 PolarHBondContact N-O 3.47Å; D33-R40 HydrophobicContact CB-CB 3.8Å; D33-R40 PolarHBondContact N-O 3.19Å; D33-R40 PolarHBondContact O-N 2.73Å; R40-T48 PolarHBondContact NH2-OG1 3.05Å; R40-Y50 HydrophobicContact CB-CD1 3.97Å; R40-Y50 HydrophobicContact CB-CE1 3.75Å; R40-Y50 HydrophobicContact CG-CD1 4.3Å; R40-Y50 HydrophobicContact CG-CE1 4Å |
| 41 | V | 91.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 159.4 | -176.5 | -64.2 | 0 | 0 | 0 | 0 | 110.7 | V7 L21 L29 Y30 L31 W39 T48 G49 V51 | V7-V41 HydrophobicContact CG2-CG1 3.9Å; L21-V41 HydrophobicContact CD2-CG2 3.92Å; L29-V41 HydrophobicContact CB-CB 4.04Å; L29-V41 HydrophobicContact CD1-CB 4.34Å; L29-V41 HydrophobicContact CD1-CG2 4.09Å; Y30-V41 CarbonylContact O-C 3.4Å; Y30-V41 VanDerWaalsContact O-CA 3.27Å; Y30-V41 WeakPolarHBondContact O-CA 3.47Å; L31-V41 HydrophobicContact CD1-CG1 4.23Å; W39-V41 HydrophobicContact CB-CG1 4.37Å; V41-T48 VanDerWaalsContact O-CA 3.25Å; V41-T48 WeakPolarHBondContact O-CA 3.47Å; V41-G49 PolarHBondContact N-O 2.94Å; V41-G49 PolarHBondContact O-N 2.93Å; V41-V51 HydrophobicContact CB-CG2 4.34Å; V41-V51 HydrophobicContact CG1-CG2 3.77Å; V41-V51 HydrophobicContact CG2-CB 4.21Å; V41-V51 HydrophobicContact CG2-CG1 3.57Å; V41-V51 HydrophobicContact CG2-CG2 3.58Å |
| 42 | R | 89.8 | Confident | 82.3 | Confident | 53 Ų | 53 | 63.1 Ų | 63.1 | 20% | 0.2 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 124.4 | 174.8 | 179.7 | -179.1 | 59.4 | 151.3 | -9.9 | 109.9 | E4 L29 Y30 L32 N46 Q47 T48 | E4-R42 IonicContact OE1-CZ 3.86Å; E4-R42 IonicContact OE1-NH2 3.73Å; E4-R42 PolarHBondContact OE1-NH2 2.97Å; L29-R42 CarbonylContact C-O 3.54Å; L29-R42 WeakPolarHBondContact CA-O 3.26Å; Y30-R42 PolarHBondContact N-O 3Å; Y30-R42 PolarHBondContact O-N 3.24Å; L32-R42 HydrophobicContact CD1-CB 4.08Å; L32-R42 HydrophobicContact CD2-CB 4.5Å; L32-R42 HydrophobicContact CG-CB 4.3Å; R42-N46 PolarHBondContact NH1-OD1 3.37Å; R42-Q47 VanDerWaalsContact CA-O 3.27Å; R42-Q47 WeakPolarHBondContact CA-O 3.32Å; R42-T48 HydrophobicContact CB-CG2 4.02Å; R42-T48 HydrophobicContact CG-CG2 4.04Å |
| 43 | N | 88.6 | Confident | 82 | Confident | 8 Ų | 8 | 60.2 Ų | 60.2 | 4% | 0.043 | 32% | 0.316 | C | S | . | . | trans | -77.3 | 178.4 | 175.5 | 69.1 | 10.3 | 0 | 0 | 0 | 112.2 | L21 L29 A45 N46 Q47 | L21-N43 HydrophobicContact CD2-CB 3.97Å; L29-N43 HydrophobicContact CD2-CB 3.81Å; N43-A45 PolarHBondContact O-N 2.8Å; N43-A45 WeakPolarHBondContact OD1-CA 3.49Å; N43-A45 WeakPolarHBondContact OD1-CB 3.36Å; N43-A45 PolarHBondContact OD1-N 3.27Å; N43-N46 PolarHBondContact O-N 3.47Å; N43-N46 VanDerWaalsContact O-N 3.14Å; N43-N46 PolarHBondContact OD1-N 2.93Å; N43-Q47 PolarHBondContact N-O 2.65Å; N43-Q47 PolarHBondContact ND2-OE1 2.81Å; N43-Q47 PolarHBondContact OD1-N 2.84Å; N43-Q47 PolarHBondContact OD1-O 2.81Å | ||
| 44 | T | 84.3 | Confident | 82.2 | Confident | 109 Ų | 109 | 63.9 Ų | 63.9 | 67% | 0.669 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -15.6 | 176.6 | 51.1 | 0 | 0 | 0 | 0 | 113.8 | N46 | T44-N46 VanDerWaalsContact C-N 3.29Š|
| 45 | A | 85.1 | Confident | 82 | Confident | 66 Ų | 66 | 65 Ų | 65 | 55% | 0.545 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 9.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | N43 Q47 | N43-A45 PolarHBondContact O-N 2.8Å; N43-A45 WeakPolarHBondContact OD1-CA 3.49Å; N43-A45 WeakPolarHBondContact OD1-CB 3.36Å; N43-A45 PolarHBondContact OD1-N 3.27Å; A45-Q47 HydrophobicContact CB-CG 4.47Å; A45-Q47 PolarHBondContact O-N 2.92Å |
| 46 | N | 84.6 | Confident | 83.1 | Confident | 109 Ų | 109 | 62.1 Ų | 62.1 | 58% | 0.583 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 60.7 | 11 | -174.2 | -73.6 | -52.7 | 0 | 0 | 0 | 115.5 | R42 N43 T44 | R42-N46 PolarHBondContact NH1-OD1 3.37Å; N43-N46 PolarHBondContact O-N 3.47Å; N43-N46 VanDerWaalsContact O-N 3.14Å; N43-N46 PolarHBondContact OD1-N 2.93Å; T44-N46 VanDerWaalsContact C-N 3.29Å |
| 47 | Q | 85.7 | Confident | 83.7 | Confident | 105 Ų | 105 | 60.3 Ų | 60.3 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | trans | -73.2 | 135.5 | 170.4 | -62.7 | 164.4 | -59.8 | 0 | 0 | 108.7 | L21 R42 N43 A45 | L21-Q47 HydrophobicContact CD1-CB 3.84Å; R42-Q47 VanDerWaalsContact CA-O 3.27Å; R42-Q47 WeakPolarHBondContact CA-O 3.32Å; N43-Q47 PolarHBondContact N-O 2.65Å; N43-Q47 PolarHBondContact ND2-OE1 2.81Å; N43-Q47 PolarHBondContact OD1-N 2.84Å; N43-Q47 PolarHBondContact OD1-O 2.81Å; A45-Q47 HydrophobicContact CB-CG 4.47Å; A45-Q47 PolarHBondContact O-N 2.92Å | ||
| 48 | T | 89.6 | Confident | 84.6 | Confident | 64 Ų | 64 | 60.6 Ų | 60.6 | 39% | 0.393 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 134.4 | 176.3 | 76.6 | 0 | 0 | 0 | 0 | 110.3 | L32 R40 V41 R42 | L32-T48 HydrophobicContact CD1-CG2 3.73Å; R40-T48 PolarHBondContact NH2-OG1 3.05Å; V41-T48 VanDerWaalsContact O-CA 3.25Å; V41-T48 WeakPolarHBondContact O-CA 3.47Å; R42-T48 HydrophobicContact CB-CG2 4.02Å; R42-T48 HydrophobicContact CG-CG2 4.04Å |
| 49 | G | 86.8 | Confident | 83.7 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 179.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q19 V41 | Q19-G49 CarbonylContact O-C 3.57Å; Q19-G49 VanDerWaalsContact O-CA 3.26Å; Q19-G49 WeakPolarHBondContact O-CA 3.46Å; V41-G49 PolarHBondContact N-O 2.94Å; V41-G49 PolarHBondContact O-N 2.93Å |
| 50 | Y | 87.3 | Confident | 81.8 | Confident | 61 Ų | 61 | 66.8 Ų | 66.8 | 24% | 0.239 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 142.2 | 176.5 | -64.3 | -76.3 | 0 | 0 | 0 | 111.5 | Q19 E20 L21 W38 W39 R40 | Q19-Y50 HydrophobicContact CB-CD2 4.07Å; Q19-Y50 HydrophobicContact CB-CE2 4.41Å; Q19-Y50 VanDerWaalsContact O-CD2 3.31Å; Q19-Y50 WeakPolarHBondContact O-CD2 3.38Å; Q19-Y50 PolarHBondContact O-N 3.39Å; E20-Y50 CarbonylContact C-O 3.54Å; E20-Y50 WeakPolarHBondContact CA-O 3.36Å; E20-Y50 WeakPolarHBondContact CB-O 3.28Å; L21-Y50 PolarHBondContact N-O 3.38Å; W38-Y50 HydrophobicContact CB-CD1 4.44Å; W39-Y50 WeakPolarHBondContact O-CA 3.3Å; R40-Y50 HydrophobicContact CB-CD1 3.97Å; R40-Y50 HydrophobicContact CB-CE1 3.75Å; R40-Y50 HydrophobicContact CG-CD1 4.3Å; R40-Y50 HydrophobicContact CG-CE1 4Å |
| 51 | V | 86.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 149.6 | 172.8 | -60.2 | 0 | 0 | 0 | 0 | 109.9 | L21 I23 W38 W39 V41 S53 V56 | L21-V51 HydrophobicContact CB-CG1 3.96Å; I23-V51 HydrophobicContact CD1-CB 3.95Å; I23-V51 HydrophobicContact CD1-CG1 3.91Å; I23-V51 HydrophobicContact CD1-CG2 4.4Å; I23-V51 HydrophobicContact CG1-CG1 4.23Å; I23-V51 HydrophobicContact CG2-CG1 3.73Å; W38-V51 CarbonylContact C-O 3.5Å; W38-V51 WeakPolarHBondContact CA-O 3.49Å; W39-V51 HydrophobicContact CB-CG2 4.49Å; W39-V51 PolarHBondContact N-O 3.48Å; W39-V51 PolarHBondContact O-N 3.02Å; V41-V51 HydrophobicContact CB-CG2 4.34Å; V41-V51 HydrophobicContact CG1-CG2 3.77Å; V41-V51 HydrophobicContact CG2-CB 4.21Å; V41-V51 HydrophobicContact CG2-CG1 3.57Å; V41-V51 HydrophobicContact CG2-CG2 3.58Å; V51-S53 PolarHBondContact O-N 3.38Å; V51-V56 HydrophobicContact CG2-CG1 3.87Å; V51-V56 HydrophobicContact CG2-CG2 4.13Å |
| 52 | P | 76.8 | Confident | 77.1 | Confident | 20 Ų | 20 | 74.3 Ų | 74.3 | 13% | 0.13 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 130.8 | 176.7 | -22 | 33 | 0 | 0 | 0 | 110.9 | Y13 W38 N54 Y55 | Y13-P52 HydrophobicContact CD2-CG 4.15Å; Y13-P52 HydrophobicContact CE2-CG 3.87Å; W38-P52 HydrophobicContact CE3-CG 4.16Å; W38-P52 HydrophobicContact CH2-CG 3.97Å; W38-P52 HydrophobicContact CZ2-CG 4.35Å; W38-P52 HydrophobicContact CZ3-CG 3.83Å; P52-N54 PolarHBondContact O-N 2.97Å; P52-Y55 HydrophobicContact CB-CD2 3.77Å; P52-Y55 HydrophobicContact CB-CE2 4.49Å; P52-Y55 HydrophobicContact CB-CG 4.27Å; P52-Y55 HydrophobicContact CG-CD2 4.17Å; P52-Y55 HydrophobicContact CG-CG 4.44Å; P52-Y55 WeakPolarHBondContact O-CB 3.3Å; P52-Y55 PolarHBondContact O-N 2.76Å |
| 53 | S | 78.5 | Confident | 74.6 | Confident | 25 Ų | 25 | 79.5 Ų | 79.5 | 18% | 0.175 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -56.3 | -37.4 | 180 | 61 | 0 | 0 | 0 | 0 | 112.2 | T37 W39 V51 Y55 V56 | T37-S53 VanDerWaalsContact O-CB 3.26Å; T37-S53 WeakPolarHBondContact O-CB 3.3Å; T37-S53 PolarHBondContact O-N 3.44Å; T37-S53 PolarHBondContact O-OG 2.81Å; W39-S53 VanDerWaalsContact NE1-CB 3.33Å; V51-S53 PolarHBondContact O-N 3.38Å; S53-Y55 PolarHBondContact O-N 2.96Å; S53-Y55 VanDerWaalsContact O-N 3.16Å; S53-V56 WeakPolarHBondContact O-CG2 3.03Å; S53-V56 PolarHBondContact O-N 2.9Å |
| 54 | N | 80.4 | Confident | 72.1 | Confident | 128 Ų | 128 | 89.7 Ų | 89.7 | 68% | 0.684 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -63.5 | -18.3 | 177.9 | -70.5 | -5.9 | 0 | 0 | 0 | 113.3 | W11 P52 | W11-N54 WeakPolarHBondContact CZ3-O 2.94Å; P52-N54 PolarHBondContact O-N 2.97Å |
| 55 | Y | 78.7 | Confident | 69.7 | Low | 90 Ų | 90 | 88.2 Ų | 88.2 | 35% | 0.353 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -91.6 | -6.4 | -177.9 | -82.9 | -119.6 | 0 | 0 | 0 | 113.6 | A9 K10 W11 Y13 P52 S53 | A9-Y55 CarbonylContact C-O 3.54Å; A9-Y55 WeakPolarHBondContact CA-O 3.08Å; K10-Y55 PolarHBondContact N-O 3.15Å; W11-Y55 HydrophobicContact CB-CD1 3.84Å; W11-Y55 HydrophobicContact CB-CE1 3.98Å; W11-Y55 HydrophobicContact CE3-CG 4.42Å; Y13-Y55 HydrophobicContact CD2-CD1 4.23Å; Y13-Y55 HydrophobicContact CD2-CE1 4.1Å; Y13-Y55 HydrophobicContact CG-CD1 4.42Å; P52-Y55 HydrophobicContact CB-CD2 3.77Å; P52-Y55 HydrophobicContact CB-CE2 4.49Å; P52-Y55 HydrophobicContact CB-CG 4.27Å; P52-Y55 HydrophobicContact CG-CD2 4.17Å; P52-Y55 HydrophobicContact CG-CG 4.44Å; P52-Y55 WeakPolarHBondContact O-CB 3.3Å; P52-Y55 PolarHBondContact O-N 2.76Å; S53-Y55 PolarHBondContact O-N 2.96Å; S53-Y55 VanDerWaalsContact O-N 3.16Å |
| 56 | V | 84.5 | Confident | 67.2 | Low | 5 Ų | 5 | 88.7 Ų | 88.7 | 3% | 0.03 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 153.3 | -174 | -73 | 0 | 0 | 0 | 0 | 112.7 | V7 V8 A9 I23 L29 W39 V51 S53 | V7-V56 HydrophobicContact CB-CB 4.25Å; V7-V56 HydrophobicContact CG2-CB 4.28Å; V7-V56 HydrophobicContact CG2-CG1 4.42Å; V8-V56 CarbonylContact O-C 3.54Å; V8-V56 WeakPolarHBondContact O-CA 3.47Å; A9-V56 HydrophobicContact CB-CG1 4.29Å; I23-V56 HydrophobicContact CD1-CG1 3.85Å; L29-V56 HydrophobicContact CD1-CG1 4.07Å; W39-V56 HydrophobicContact CD2-CG2 4.14Å; W39-V56 HydrophobicContact CE3-CG2 3.39Å; W39-V56 HydrophobicContact CZ3-CG2 3.82Å; V51-V56 HydrophobicContact CG2-CG1 3.87Å; V51-V56 HydrophobicContact CG2-CG2 4.13Å; S53-V56 WeakPolarHBondContact O-CG2 3.03Å; S53-V56 PolarHBondContact O-N 2.9Å |
| 57 | E | 81.1 | Confident | 65.3 | Low | 91 Ų | 91 | 90.9 Ų | 90.9 | 43% | 0.425 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 131.8 | -178.2 | -162.6 | 173.2 | 120.6 | 0 | 0 | 112 | V7 V8 K10 K59 | V7-E57 CarbonylContact C-O 3.5Å; V7-E57 WeakPolarHBondContact CA-O 3.37Å; V7-E57 WeakPolarHBondContact CB-O 3.3Å; V8-E57 PolarHBondContact N-O 3.14Å; V8-E57 PolarHBondContact O-N 2.94Å; K10-E57 HydrophobicContact CD-CB 4.11Å; K10-E57 WeakPolarHBondContact CD-OE2 2.85Å; K10-E57 WeakPolarHBondContact CE-OE2 3.43Å; K10-E57 HydrophobicContact CG-CB 4.22Å; K10-E57 IonicContact NZ-OE2 2.8Å; K10-E57 PolarHBondContact NZ-OE2 2.96Å; E57-K59 PolarHBondContact O-N 2.7Å; E57-K59 VanDerWaalsContact O-N 3.13Å |
| 58 | R | 81.6 | Confident | 63.3 | Low | 114 Ų | 114 | 92 Ų | 92 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 106.9 | 177.2 | -78.8 | -175.6 | -79 | -149.9 | -12.9 | 112 | V5 V7 L31 D34 W39 N60 S61 | V5-R58 HydrophobicContact CG1-CG 4.09Å; V7-R58 HydrophobicContact CG1-CB 4.38Å; V7-R58 HydrophobicContact CG1-CG 3.6Å; L31-R58 HydrophobicContact CD2-CG 4.2Å; D34-R58 IonicContact OD2-CZ 2.68Å; D34-R58 IonicContact OD2-NH1 2.72Å; D34-R58 PolarHBondContact OD2-NH1 2.96Å; D34-R58 IonicContact OD2-NH2 3.93Å; W39-R58 HydrophobicContact CH2-CG 4.4Å; W39-R58 HydrophobicContact CZ3-CG 4.14Å; R58-N60 PolarHBondContact O-N 3.44Å; R58-S61 PolarHBondContact O-N 2.69Å |
| 59 | K | 63.4 | Low | 60.9 | Low | 123 Ų | 123 | 97.6 Ų | 97.6 | 54% | 0.535 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | 53.5 | 174 | -168 | 160.3 | -176.8 | 158.3 | 0 | 112.2 | I6 V8 E57 | I6-K59 PolarHBondContact O-N 2.95Å; V8-K59 HydrophobicContact CG2-CB 3.89Å; V8-K59 HydrophobicContact CG2-CD 3.69Å; V8-K59 HydrophobicContact CG2-CG 4.43Å; E57-K59 PolarHBondContact O-N 2.7Å; E57-K59 VanDerWaalsContact O-N 3.13Å |
| 60 | N | 46.2 | Very low | 58.1 | Low | 127 Ų | 127 | 105.3 Ų | 105.3 | 68% | 0.679 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.4 | 13.8 | 157.6 | -155.2 | 32.4 | 0 | 0 | 0 | 113.4 | R58 L62 | R58-N60 PolarHBondContact O-N 3.44Å; N60-L62 PolarHBondContact O-N 2.92Å |
| 61 | S | 39.7 | Very low | 55.9 | Low | 113 Ų | 113 | 110.2 Ų | 110.2 | 79% | 0.79 | 58% | 0.577 | S | S | * | * | trans | -78 | 51.3 | 174.9 | -156.8 | 0 | 0 | 0 | 0 | 112.6 | R58 | R58-S61 PolarHBondContact O-N 2.69Š| ||
| 62 | L | 39.4 | Very low | 53.4 | Low | 146 Ų | 146 | 118.3 Ų | 118.3 | 76% | 0.764 | 61% | 0.612 | S | S | * | * | trans | -140.2 | 111 | 173.2 | -89.2 | 170.1 | 0 | 0 | 0 | 110.4 | N60 | N60-L62 PolarHBondContact O-N 2.92Š| ||
| 63 | K | 37.5 | Very low | 51.2 | Low | 162 Ų | 162 | 123.7 Ų | 123.7 | 70% | 0.704 | 64% | 0.64 | S | S | * | * | trans | 89.5 | 72.9 | 164.5 | -51.8 | -176.6 | -178.5 | -173.9 | 0 | 119.3 | ||||
| 64 | K | 36.6 | Very low | 49 | Very low | 221 Ų | 221 | 128.3 Ų | 128.3 | 96% | 0.961 | 67% | 0.667 | S | S | * | * | S | Bend | -135.3 | 111.3 | 123.3 | -75.3 | -175.8 | -176.7 | 169.2 | 0 | 107.9 | |||
| 65 | G | 32.5 | Very low | 46.6 | Very low | 79 Ų | 79 | 130.6 Ų | 130.6 | 81% | 0.814 | 68% | 0.678 | S | S | * | * | S | Bend | cis | -124.1 | 127.6 | 3.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 66 | S | 32.5 | Very low | 44.1 | Very low | 76 Ų | 76 | 130 Ų | 130 | 53% | 0.531 | 70% | 0.699 | S | S | . | * | trans | -121.8 | 98.1 | 151.9 | 177 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 67 | L | 44.8 | Very low | 41.4 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 81% | 0.806 | 74% | 0.742 | S | S | * | * | trans | -111.4 | 58.8 | -172.4 | -148.7 | 163.4 | 0 | 0 | 0 | 110.5 | ||||
| 68 | V | 43.9 | Very low | 38.8 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 79% | 0.788 | 76% | 0.756 | S | S | * | * | trans | -132.2 | 128.2 | 154 | -95.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 69 | K | 38.9 | Very low | 36.2 | Very low | 181 Ų | 181 | 142.2 Ų | 142.2 | 79% | 0.787 | 78% | 0.781 | S | S | * | * | trans | -86 | 134.4 | -165.7 | -64.4 | 163.5 | 179.9 | 169.9 | 0 | 109.8 | I71 | K69-I71 PolarHBondContact O-N 2.82Å; K69-I71 VanDerWaalsContact O-N 3.14Å | ||
| 70 | N | 29 | Very low | 34.5 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -64.3 | 112.8 | 158.2 | -80.1 | 6 | 0 | 0 | 0 | 108.4 | K72 | N70-K72 VanDerWaalsContact C-N 3.35Å; N70-K72 PolarHBondContact O-N 2.86Å; N70-K72 VanDerWaalsContact O-N 3.15Å | ||
| 71 | I | 40.3 | Very low | 33.5 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -78.8 | 94.3 | 161.8 | -77.4 | 174.3 | 0 | 0 | 0 | 107.7 | K69 | K69-I71 PolarHBondContact O-N 2.82Å; K69-I71 VanDerWaalsContact O-N 3.14Å | ||
| 72 | K | 34.4 | Very low | 32.9 | Very low | 171 Ų | 171 | 147.4 Ų | 147.4 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | 10.8 | 105.4 | 142 | -169.2 | 171.1 | -177.6 | 175.3 | 0 | 117.7 | N70 | N70-K72 VanDerWaalsContact C-N 3.35Å; N70-K72 PolarHBondContact O-N 2.86Å; N70-K72 VanDerWaalsContact O-N 3.15Å | ||
| 73 | D | 31.8 | Very low | 32.2 | Very low | 133 Ų | 133 | 149.9 Ų | 149.9 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | 41.9 | 144.4 | 123.5 | -52.8 | -61.1 | 0 | 0 | 0 | 123.6 | |||||
| 74 | T | 30.7 | Very low | 31.7 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | 97.1 | 138.3 | 149.4 | 77.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 75 | L | 30.4 | Very low | 31.1 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | 77.3 | 132.7 | 162.8 | -49.5 | 179.7 | 0 | 0 | 0 | 118.9 | ||||
| 76 | G | 26.9 | Very low | 30.8 | Very low | 77 Ų | 77 | 142.6 Ų | 142.6 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | 135.6 | 96.7 | 146.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 77 | L | 28.4 | Very low | 30.6 | Very low | 179 Ų | 179 | 150.3 Ų | 150.3 | 94% | 0.937 | 81% | 0.805 | S | S | * | * | trans | -68.2 | 130.8 | 169.8 | -73.2 | 67 | 0 | 0 | 0 | 112.8 | ||||
| 78 | G | 25.9 | Very low | 29.6 | Very low | 69 Ų | 69 | 149.7 Ų | 149.7 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | 73.4 | 159.4 | 124.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 79 | K | 27.5 | Very low | 28.6 | Very low | 220 Ų | 220 | 147.5 Ų | 147.5 | 96% | 0.957 | 80% | 0.798 | S | S | * | * | trans | 67.3 | 124.4 | 175.5 | -56.8 | 172.4 | 177.9 | 172.1 | 0 | 114.8 | ||||
| 80 | G | 26.1 | Very low | 27.8 | Very low | 73 Ų | 73 | 143.9 Ų | 143.9 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | cis | 116 | 127.6 | 25.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 81 | K | 26 | Very low | 27.8 | Very low | 181 Ų | 181 | 142 Ų | 142 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | trans | 90.7 | 111.6 | 165.9 | -65.4 | -179.4 | 175.4 | 174.2 | 0 | 121.4 | ||||
| 82 | R | 27 | Very low | 27 | Very low | 217 Ų | 217 | 140.3 Ų | 140.3 | 82% | 0.819 | 79% | 0.79 | S | S | * | * | 67.6 | 123 | 119.8 | -64.7 | 179 | -178.8 | -174 | -1.1 | 121.3 | |||||
| 83 | K | 25 | Very low | 26.7 | Very low | 199 Ų | 199 | 137.7 Ų | 137.7 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | 37.8 | 130.5 | 116.5 | -87.3 | -171.2 | 178.1 | -172.2 | 0 | 117.3 | |||||
| 84 | T | 26.2 | Very low | 26.5 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 69% | 0.693 | 80% | 0.795 | S | S | * | * | cis | -168 | 162.9 | 36.5 | 47.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 85 | S | 25.4 | Very low | 26.2 | Very low | 117 Ų | 117 | 136 Ų | 136 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 70 | 152.7 | 149.2 | -60 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 86 | A | 26.5 | Very low | 25.8 | Very low | 79 Ų | 79 | 133.9 Ų | 133.9 | 65% | 0.653 | 78% | 0.783 | S | S | * | * | cis | -172 | 145.1 | -22.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 87 | R | 26.4 | Very low | 25.8 | Very low | 238 Ų | 238 | 136.3 Ų | 136.3 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | trans | 63 | 142.5 | 165.5 | -58.7 | 179.1 | -175.8 | 173.8 | -0.6 | 115.5 | ||||
| 88 | D | 24.1 | Very low | 25.5 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | cis | -153.1 | 178.4 | -4.3 | -122.1 | -125.3 | 0 | 0 | 0 | 107.1 | ||||
| 89 | A | 23.7 | Very low | 25.6 | Very low | 84 Ų | 84 | 143.5 Ų | 143.5 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | cis | -136.5 | -122.3 | 16.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 90 | S | 22.9 | Very low | 25.8 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -147 | 168.9 | -174.3 | -39.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 91 | P | 28.1 | Very low | 25.9 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | -132 | 161.2 | 53.8 | 33.6 | -14.3 | 0 | 0 | 0 | 117.4 | |||||
| 92 | T | 24.2 | Very low | 26 | Very low | 127 Ų | 127 | 140 Ų | 140 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -80.5 | -173.3 | 165.9 | 48.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 93 | P | 27.8 | Very low | 25.9 | Very low | 116 Ų | 116 | 133 Ų | 133 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | cis | -130.8 | 176.1 | -2.3 | 33.5 | -12.6 | 0 | 0 | 0 | 115.8 | ||||
| 94 | S | 27.1 | Very low | 26.1 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -103.1 | 141.2 | 155.5 | -55 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 95 | S | 25 | Very low | 26 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | 176.6 | 133.5 | 131.9 | -112.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 96 | D | 22.6 | Very low | 26 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | 65 | 139.4 | 140.1 | -57.4 | -52.9 | 0 | 0 | 0 | 124.1 | ||||
| 97 | T | 26.1 | Very low | 25.9 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | 65.9 | 148.1 | 159.3 | 34.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 98 | E | 21.8 | Very low | 25.8 | Very low | 175 Ų | 175 | 119.3 Ų | 119.3 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | cis | -158.1 | 164.7 | 18.1 | -132.5 | 163 | 150 | 0 | 0 | 110.8 | ||||
| 99 | Y | 29.1 | Very low | 26.2 | Very low | 225 Ų | 225 | 119.4 Ų | 119.4 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -76.1 | 148.9 | 163.2 | -96.5 | -94.8 | 0 | 0 | 0 | 110 | ||||
| 100 | P | 31.5 | Very low | 26.4 | Very low | 122 Ų | 122 | 122.5 Ų | 122.5 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | -147.5 | 180 | 117.7 | 34.8 | -16.8 | 0 | 0 | 0 | 116 | |||||
| 101 | S | 27 | Very low | 27 | Very low | 114 Ų | 114 | 121.8 Ų | 121.8 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | -88.2 | 153.1 | -161.7 | -48.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 102 | N | 29.4 | Very low | 27 | Very low | 165 Ų | 165 | 120 Ų | 120 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | trans | 44.5 | 120.2 | 137.3 | -156.8 | 58 | 0 | 0 | 0 | 121.4 | ||||
| 103 | G | 24.5 | Very low | 27.3 | Very low | 69 Ų | 69 | 118.5 Ų | 118.5 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | trans | 171.1 | 83.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 104 | S | 27.9 | Very low | 27.5 | Very low | 127 Ų | 127 | 121.7 Ų | 121.7 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | trans | 11.1 | 132.3 | 153.5 | -51.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 105 | G | 25.1 | Very low | 27.8 | Very low | 83 Ų | 83 | 126.3 Ų | 126.3 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | trans | 149.9 | 87 | 142.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 106 | G | 25.1 | Very low | 28.6 | Very low | 87 Ų | 87 | 128.3 Ų | 128.3 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | trans | 83.1 | 104.4 | 132.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 107 | G | 24.7 | Very low | 29.4 | Very low | 89 Ų | 89 | 128.7 Ų | 128.7 | 92% | 0.918 | 82% | 0.816 | S | S | * | * | 106.4 | 121.7 | 129.2 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 108 | G | 24.5 | Very low | 30.2 | Very low | 72 Ų | 72 | 129.8 Ų | 129.8 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | 128.5 | 76.1 | 147.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 109 | V | 32.9 | Very low | 31.8 | Very low | 142 Ų | 142 | 124.4 Ų | 124.4 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | 27.7 | 113.9 | 148.2 | -92.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 110 | V | 27.5 | Very low | 33.4 | Very low | 150 Ų | 150 | 119.2 Ų | 119.2 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | -157.4 | 150.3 | 114.9 | -94.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 111 | G | 35 | Very low | 35.3 | Very low | 89 Ų | 89 | 115.5 Ų | 115.5 | 92% | 0.918 | 75% | 0.754 | S | S | * | * | trans | -71 | 134.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 112 | A | 27.8 | Very low | 37.6 | Very low | 89 Ų | 89 | 111.1 Ų | 111.1 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | trans | -118.2 | 129 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | E114 | A112-E114 PolarHBondContact O-N 2.93Š| ||
| 113 | A | 32.2 | Very low | 39.8 | Very low | 96 Ų | 96 | 103.3 Ų | 103.3 | 79% | 0.793 | 68% | 0.681 | S | S | * | * | trans | -65.2 | 124.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | R115 | A113-R115 PolarHBondContact O-N 3.03Š| ||
| 114 | E | 31.8 | Very low | 42.2 | Very low | 184 Ų | 184 | 101.7 Ų | 101.7 | 86% | 0.86 | 66% | 0.658 | S | S | * | * | trans | -64.7 | 108.5 | -175.8 | -68.1 | -149.3 | 136.6 | 0 | 0 | 111 | A112 I116 | A112-E114 PolarHBondContact O-N 2.93Å; E114-I116 PolarHBondContact O-N 3.18Å | ||
| 115 | R | 32.9 | Very low | 44.3 | Very low | 213 Ų | 213 | 95.8 Ų | 95.8 | 80% | 0.804 | 62% | 0.616 | S | S | * | * | trans | -77.3 | 109.8 | 167.2 | -60.8 | -177.1 | -154 | 154.1 | 7.2 | 107 | A113 Y117 | A113-R115 PolarHBondContact O-N 3.03Å; R115-Y117 HydrophobicContact CB-CD2 3.71Å; R115-Y117 HydrophobicContact CB-CE2 3.82Å; R115-Y117 HydrophobicContact CG-CE2 4.37Å; R115-Y117 PolarHBondContact O-N 3.29Å | ||
| 116 | I | 40.6 | Very low | 45.9 | Very low | 145 Ų | 145 | 96.5 Ų | 96.5 | 74% | 0.744 | 60% | 0.595 | S | S | * | * | trans | -81.2 | 64.5 | 178.9 | -47.3 | 175.4 | 0 | 0 | 0 | 109.4 | E114 | E114-I116 PolarHBondContact O-N 3.18Š| ||
| 117 | Y | 40.5 | Very low | 47.4 | Very low | 139 Ų | 139 | 97 Ų | 97 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | trans | -139.9 | 82.4 | 175.7 | -32 | -72.1 | 0 | 0 | 0 | 110.6 | R115 E149 | R115-Y117 HydrophobicContact CB-CD2 3.71Å; R115-Y117 HydrophobicContact CB-CE2 3.82Å; R115-Y117 HydrophobicContact CG-CE2 4.37Å; R115-Y117 PolarHBondContact O-N 3.29Å; Y117-E149 HydrophobicContact CD1-CG 3.91Å | ||
| 118 | D | 41.8 | Very low | 49.1 | Very low | 151 Ų | 151 | 95.9 Ų | 95.9 | 81% | 0.807 | 56% | 0.555 | S | S | * | * | trans | -161.6 | 57.5 | 155.9 | -89.4 | -37.3 | 0 | 0 | 0 | 107.3 | ||||
| 119 | L | 56.3 | Low | 50.8 | Low | 62 Ų | 62 | 93.8 Ų | 93.8 | 33% | 0.325 | 53% | 0.525 | S | S | . | . | trans | -67.9 | 140.8 | 160.4 | -65.6 | 174.3 | 0 | 0 | 0 | 106.6 | I121 V147 M148 K150 | L119-I121 HydrophobicContact CB-CD1 4.32Å; L119-I121 HydrophobicContact CB-CG1 4.3Å; L119-I121 HydrophobicContact CD1-CD1 4.3Å; L119-I121 HydrophobicContact CD2-CD1 3.97Å; L119-I121 HydrophobicContact CD2-CG1 4.47Å; L119-I121 HydrophobicContact CG-CD1 4.43Å; L119-V147 CarbonylContact C-O 3.51Å; L119-V147 VanDerWaalsContact C-O 3.29Å; L119-V147 VanDerWaalsContact O-O 3.09Å; L119-M148 PolarHBondContact N-O 3.16Å; L119-M148 VanDerWaalsContact O-CA 3.29Å; L119-M148 WeakPolarHBondContact O-CA 3.44Å; L119-K150 HydrophobicContact CD1-CD 4.12Å; L119-K150 HydrophobicContact CD1-CG 3.96Å | ||
| 120 | N | 62.8 | Low | 52.4 | Low | 116 Ų | 116 | 92 Ų | 92 | 62% | 0.62 | 51% | 0.514 | S | S | * | . | trans | -131.4 | 44.1 | 173.6 | -156.1 | 96.5 | 0 | 0 | 0 | 109.2 | P122 V146 | N120-P122 WeakPolarHBondContact O-CD 3.4Å; N120-V146 HydrophobicContact CB-CG1 4.31Å | ||
| 121 | I | 70.9 | Confident | 54.4 | Low | 43 Ų | 43 | 86.2 Ų | 86.2 | 22% | 0.221 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 118.5 | -170.1 | -58.7 | 172.1 | 0 | 0 | 0 | 108.5 | L119 V146 V147 E174 | L119-I121 HydrophobicContact CB-CD1 4.32Å; L119-I121 HydrophobicContact CB-CG1 4.3Å; L119-I121 HydrophobicContact CD1-CD1 4.3Å; L119-I121 HydrophobicContact CD2-CD1 3.97Å; L119-I121 HydrophobicContact CD2-CG1 4.47Å; L119-I121 HydrophobicContact CG-CD1 4.43Å; I121-V146 CarbonylContact O-C 3.58Å; I121-V147 HydrophobicContact CB-CB 4.38Å; I121-V147 PolarHBondContact N-O 2.88Å; I121-V147 PolarHBondContact O-N 2.81Å; I121-E174 VanDerWaalsContact CD1-OE1 3.27Å; I121-E174 WeakPolarHBondContact CD1-OE1 3.37Å; I121-E174 HydrophobicContact CG2-CB 4.11Å; I121-E174 HydrophobicContact CG2-CG 4.27Å; I121-E174 WeakPolarHBondContact CG2-OE1 3.31Å |
| 122 | P | 76 | Confident | 55.3 | Low | 23 Ų | 23 | 90.4 Ų | 90.4 | 15% | 0.149 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 138.4 | 171.1 | 30.4 | -33.5 | 0 | 0 | 0 | 109.3 | N120 E175 M177 | N120-P122 WeakPolarHBondContact O-CD 3.4Å; P122-E175 HydrophobicContact CG-CB 4.35Å; P122-E175 WeakPolarHBondContact CG-O 3.4Å; P122-E175 WeakPolarHBondContact O-CB 3.26Å; P122-E175 PolarHBondContact O-N 2.84Å; P122-M177 HydrophobicContact CG-CE 3.73Å; P122-M177 HydrophobicContact CG-CG 4.11Å |
| 123 | A | 75.8 | Confident | 56.6 | Low | 0 Ų | 0 | 92.8 Ų | 92.8 | 0% | 0 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 143.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | R144 V145 V147 V172 Q173 | A123-R144 WeakPolarHBondContact O-CA 3.15Å; A123-V145 HydrophobicContact CB-CG2 4.22Å; A123-V145 PolarHBondContact N-O 2.83Å; A123-V145 PolarHBondContact O-N 2.62Å; A123-V147 HydrophobicContact CB-CG2 3.74Å; A123-V172 HydrophobicContact CB-CB 3.98Å; A123-V172 HydrophobicContact CB-CG2 4.08Å; A123-Q173 CarbonylContact C-O 3.43Å; A123-Q173 WeakPolarHBondContact CA-O 3.43Å; A123-Q173 WeakPolarHBondContact CB-O 3.32Å |
| 124 | V | 73.9 | Confident | 57.8 | Low | 36 Ų | 36 | 97.9 Ų | 97.9 | 22% | 0.218 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 125.2 | 177.1 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | K126 R144 V172 Q173 | V124-K126 PolarHBondContact O-N 3.14Å; V124-R144 HydrophobicContact CG2-CG 4.37Å; V124-V172 WeakPolarHBondContact O-CA 3.21Å; V124-Q173 PolarHBondContact N-O 2.83Å; V124-Q173 PolarHBondContact O-N 3.4Å |
| 125 | V | 73.3 | Confident | 59.2 | Low | 2 Ų | 2 | 92.4 Ų | 92.4 | 1% | 0.012 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 118.1 | 177.1 | -179.4 | 0 | 0 | 0 | 0 | 110 | F127 L139 L140 G142 S143 V145 Y171 V172 | V125-F127 WeakPolarHBondContact CG1-O 3.48Å; V125-L139 HydrophobicContact CB-CB 4.45Å; V125-L139 HydrophobicContact CG1-CB 3.63Å; V125-L139 HydrophobicContact CG1-CD1 4.34Å; V125-L139 HydrophobicContact CG2-CB 3.89Å; V125-L139 HydrophobicContact CG2-CD1 4.46Å; V125-L139 HydrophobicContact CG2-CD2 4.11Å; V125-L139 HydrophobicContact CG2-CG 4.4Å; V125-L140 VanDerWaalsContact CB-O 3.26Å; V125-L140 WeakPolarHBondContact CB-O 3.4Å; V125-L140 WeakPolarHBondContact CG1-O 2.73Å; V125-G142 PolarHBondContact O-N 3.45Å; V125-S143 WeakPolarHBondContact CG2-O 3.49Å; V125-S143 PolarHBondContact N-O 2.83Å; V125-V145 HydrophobicContact CG2-CG1 3.77Å; V125-V145 HydrophobicContact CG2-CG2 4.36Å; V125-Y171 CarbonylContact C-O 3.5Å; V125-Y171 WeakPolarHBondContact CA-O 3.21Å; V125-V172 HydrophobicContact CG2-CG1 4.17Å |
| 126 | K | 58.1 | Low | 61.1 | Low | 98 Ų | 98 | 83.6 Ų | 83.6 | 43% | 0.426 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -86.3 | -31.7 | 176.6 | -65.9 | -67.5 | -177.1 | 172.3 | 0 | 112.3 | V124 K141 Y171 Q173 | V124-K126 PolarHBondContact O-N 3.14Å; K126-K141 VanDerWaalsContact O-CD 3.29Å; K126-K141 WeakPolarHBondContact O-CD 3.18Å; K126-K141 WeakPolarHBondContact O-CE 3.42Å; K126-K141 WeakPolarHBondContact O-CG 3.48Å; K126-Y171 PolarHBondContact N-O 2.96Å; K126-Q173 HydrophobicContact CD-CB 4.15Å; K126-Q173 HydrophobicContact CG-CB 3.84Å |
| 127 | F | 57.3 | Low | 62.7 | Low | 99 Ų | 99 | 77.1 Ų | 77.1 | 43% | 0.434 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -133.9 | 136.6 | -176.1 | -56.6 | -79 | 0 | 0 | 0 | 109.9 | V125 Y171 | V125-F127 WeakPolarHBondContact CG1-O 3.48Å; F127-Y171 HydrophobicContact CB-CD1 3.52Å; F127-Y171 HydrophobicContact CB-CE1 3.91Å; F127-Y171 HydrophobicContact CB-CG 4.08Å; F127-Y171 PolarHBondContact N-O 3.21Å |
| 128 | A | 59.8 | Low | 64.2 | Low | 64 Ų | 64 | 73.4 Ų | 73.4 | 53% | 0.529 | 38% | 0.379 | S | S | . | . | trans | -71.4 | 139.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | L139 K141 | A128-L139 WeakPolarHBondContact CA-O 3.48Å; A128-K141 HydrophobicContact CB-CB 4.13Å | ||
| 129 | Y | 59.8 | Low | 65.9 | Low | 29 Ų | 29 | 66.2 Ų | 66.2 | 11% | 0.114 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -135 | 130.7 | 179.3 | 173.3 | -113.3 | 0 | 0 | 0 | 108.6 | E136 L137 T138 L139 W155 F167 P168 Y171 | Y129-E136 HydrophobicContact CE1-CB 4.47Å; Y129-E136 PolarHBondContact OH-OE1 3.43Å; Y129-E136 PolarHBondContact OH-OE2 3.3Å; Y129-E136 VanDerWaalsContact OH-OE2 3.08Å; Y129-L137 WeakPolarHBondContact CD1-O 3.3Å; Y129-T138 CarbonylContact O-C 3.47Å; Y129-T138 VanDerWaalsContact O-CA 3.25Å; Y129-T138 WeakPolarHBondContact O-CA 3.27Å; Y129-T138 WeakPolarHBondContact O-CG2 3.46Å; Y129-L139 HydrophobicContact CD1-CG 4.33Å; Y129-L139 PolarHBondContact N-O 3.16Å; Y129-L139 PolarHBondContact O-N 2.79Å; Y129-L139 VanDerWaalsContact O-O 3.11Å; Y129-W155 WeakPolarHBondContact OH-CH2 3.25Å; Y129-F167 HydrophobicContact CD1-CB 4.1Å; Y129-F167 HydrophobicContact CE1-CB 4.26Å; Y129-P168 HydrophobicContact CD2-CG 4.34Å; Y129-P168 HydrophobicContact CE2-CG 4.19Å; Y129-Y171 HydrophobicContact CD2-CE1 4.43Å; Y129-Y171 HydrophobicContact CG-CD1 4.48Å |
| 130 | T | 66.3 | Low | 66.5 | Low | 104 Ų | 104 | 68.1 Ų | 68.1 | 64% | 0.638 | 35% | 0.35 | S | S | * | . | trans | -100.4 | 124.9 | 176.2 | -56.1 | 0 | 0 | 0 | 0 | 107.9 | E132 | T130-E132 PolarHBondContact O-N 3.13Š| ||
| 131 | A | 68.8 | Low | 66.8 | Low | 29 Ų | 29 | 69.8 Ų | 69.8 | 24% | 0.24 | 35% | 0.352 | C | S | . | . | trans | -59.8 | 123.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | E136 T138 | A131-E136 HydrophobicContact CB-CB 3.63Å; A131-E136 WeakPolarHBondContact CB-O 3.47Å; A131-T138 WeakPolarHBondContact CB-OG1 3.2Å; A131-T138 PolarHBondContact N-OG1 3.07Å; A131-T138 VanDerWaalsContact N-OG1 3.07Å | ||
| 132 | E | 54.3 | Low | 66.3 | Low | 177 Ų | 177 | 70.3 Ų | 70.3 | 83% | 0.827 | 37% | 0.368 | S | S | * | . | trans | -94.7 | -17.2 | 175.5 | -56.1 | -166.7 | 153.1 | 0 | 0 | 111.2 | T130 E136 | T130-E132 PolarHBondContact O-N 3.13Å; E132-E136 WeakPolarHBondContact CA-OE2 3.49Å; E132-E136 PolarHBondContact N-OE2 2.91Å | ||
| 133 | R | 54.9 | Low | 66.2 | Low | 138 Ų | 138 | 70.2 Ų | 70.2 | 52% | 0.521 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -123.6 | 161.3 | 179 | -53.1 | 172.2 | 54.8 | 116.5 | -6.7 | 112.8 | D135 E136 | R133-D135 WeakPolarHBondContact CB-OD1 3.22Å; R133-D135 IonicContact CZ-OD1 3.62Å; R133-D135 IonicContact NE-OD1 2.68Å; R133-D135 PolarHBondContact NE-OD1 2.81Å; R133-D135 IonicContact NE-OD2 3.74Å; R133-D135 IonicContact NH2-OD1 2.93Å; R133-D135 IonicContact NH2-OD2 3.79Å; R133-D135 PolarHBondContact O-N 3.05Å; R133-E136 HydrophobicContact CB-CB 4.49Å; R133-E136 HydrophobicContact CB-CG 4.02Å; R133-E136 VanDerWaalsContact CD-OE1 3.23Å; R133-E136 WeakPolarHBondContact CD-OE1 3.44Å; R133-E136 PolarHBondContact N-OE2 3.11Å; R133-E136 PolarHBondContact O-N 2.85Å |
| 134 | E | 57.4 | Low | 66.4 | Low | 204 Ų | 204 | 77.7 Ų | 77.7 | 95% | 0.953 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -18.5 | 178.9 | 64.5 | -173.8 | 133.1 | 0 | 0 | 114.1 | ||
| 135 | D | 61.9 | Low | 66.7 | Low | 68 Ų | 68 | 76.1 Ų | 76.1 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -4.2 | 175.2 | 54.9 | -39.8 | 0 | 0 | 0 | 114.2 | R133 G165 W166 | R133-D135 WeakPolarHBondContact CB-OD1 3.22Å; R133-D135 IonicContact CZ-OD1 3.62Å; R133-D135 IonicContact NE-OD1 2.68Å; R133-D135 PolarHBondContact NE-OD1 2.81Å; R133-D135 IonicContact NE-OD2 3.74Å; R133-D135 IonicContact NH2-OD1 2.93Å; R133-D135 IonicContact NH2-OD2 3.79Å; R133-D135 PolarHBondContact O-N 3.05Å; D135-G165 CarbonylContact O-C 3.56Å; D135-G165 VanDerWaalsContact O-CA 3.24Å; D135-G165 WeakPolarHBondContact O-CA 3.45Å; D135-W166 VanDerWaalsContact O-CD1 3.28Å; D135-W166 PolarHBondContact O-N 2.79Å |
| 136 | E | 73.6 | Confident | 66.9 | Low | 29 Ų | 29 | 78 Ų | 78 | 14% | 0.136 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -96.5 | 157 | -178.2 | -71 | 168.4 | 176.2 | 0 | 0 | 113 | Y129 A131 E132 R133 W155 W166 | Y129-E136 HydrophobicContact CE1-CB 4.47Å; Y129-E136 PolarHBondContact OH-OE1 3.43Å; Y129-E136 PolarHBondContact OH-OE2 3.3Å; Y129-E136 VanDerWaalsContact OH-OE2 3.08Å; A131-E136 HydrophobicContact CB-CB 3.63Å; A131-E136 WeakPolarHBondContact CB-O 3.47Å; E132-E136 WeakPolarHBondContact CA-OE2 3.49Å; E132-E136 PolarHBondContact N-OE2 2.91Å; R133-E136 HydrophobicContact CB-CB 4.49Å; R133-E136 HydrophobicContact CB-CG 4.02Å; R133-E136 VanDerWaalsContact CD-OE1 3.23Å; R133-E136 WeakPolarHBondContact CD-OE1 3.44Å; R133-E136 PolarHBondContact N-OE2 3.11Å; R133-E136 PolarHBondContact O-N 2.85Å; E136-W155 HydrophobicContact CG-CZ3 4.11Å; E136-W166 CarbonylContact C-O 3.52Å; E136-W166 VanDerWaalsContact CA-O 3.23Å; E136-W166 WeakPolarHBondContact CA-O 3.39Å |
| 137 | L | 73.1 | Confident | 67.9 | Low | 9 Ų | 9 | 73.4 Ų | 73.4 | 5% | 0.047 | 38% | 0.378 | C | S | . | . | trans | -113 | 117.1 | 179.9 | -171.4 | 73.4 | 0 | 0 | 0 | 111.4 | Y129 L139 G158 H160 R163 W166 F167 | Y129-L137 WeakPolarHBondContact CD1-O 3.3Å; L137-L139 HydrophobicContact CD2-CD2 4.13Å; L137-L139 HydrophobicContact CG-CD2 4.47Å; L137-L139 PolarHBondContact O-N 3.44Å; L137-G158 WeakPolarHBondContact CD2-O 3.22Å; L137-H160 HydrophobicContact CD1-CB 4.24Å; L137-H160 HydrophobicContact CD2-CB 3.83Å; L137-H160 HydrophobicContact CG-CB 4.32Å; L137-R163 HydrophobicContact CD1-CB 3.9Å; L137-R163 WeakPolarHBondContact CD1-O 3.27Å; L137-W166 PolarHBondContact N-O 2.63Å; L137-F167 HydrophobicContact CB-CD1 4.05Å; L137-F167 HydrophobicContact CD2-CD1 3.8Å; L137-F167 HydrophobicContact CD2-CE1 3.85Å | ||
| 138 | T | 72.8 | Confident | 68.3 | Low | 60 Ų | 60 | 70.9 Ų | 70.9 | 37% | 0.368 | 37% | 0.368 | S | S | . | . | trans | -62.2 | 118.5 | 170.4 | -63.1 | 0 | 0 | 0 | 0 | 110.7 | Y129 A131 L140 | Y129-T138 CarbonylContact O-C 3.47Å; Y129-T138 VanDerWaalsContact O-CA 3.25Å; Y129-T138 WeakPolarHBondContact O-CA 3.27Å; Y129-T138 WeakPolarHBondContact O-CG2 3.46Å; A131-T138 WeakPolarHBondContact CB-OG1 3.2Å; A131-T138 PolarHBondContact N-OG1 3.07Å; A131-T138 VanDerWaalsContact N-OG1 3.07Å; T138-L140 HydrophobicContact CG2-CD2 4.42Å | ||
| 139 | L | 76.1 | Confident | 68.8 | Low | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -96.8 | 133.8 | 174 | -53 | -179.3 | 0 | 0 | 0 | 110.3 | V125 A128 Y129 L137 V145 F167 V172 | V125-L139 HydrophobicContact CB-CB 4.45Å; V125-L139 HydrophobicContact CG1-CB 3.63Å; V125-L139 HydrophobicContact CG1-CD1 4.34Å; V125-L139 HydrophobicContact CG2-CB 3.89Å; V125-L139 HydrophobicContact CG2-CD1 4.46Å; V125-L139 HydrophobicContact CG2-CD2 4.11Å; V125-L139 HydrophobicContact CG2-CG 4.4Å; A128-L139 WeakPolarHBondContact CA-O 3.48Å; Y129-L139 HydrophobicContact CD1-CG 4.33Å; Y129-L139 PolarHBondContact N-O 3.16Å; Y129-L139 PolarHBondContact O-N 2.79Å; Y129-L139 VanDerWaalsContact O-O 3.11Å; L137-L139 HydrophobicContact CD2-CD2 4.13Å; L137-L139 HydrophobicContact CG-CD2 4.47Å; L137-L139 PolarHBondContact O-N 3.44Å; L139-V145 HydrophobicContact CD2-CG1 3.87Å; L139-V145 HydrophobicContact CD2-CG2 4.47Å; L139-F167 HydrophobicContact CD1-CB 3.75Å; L139-F167 HydrophobicContact CD1-CD2 3.85Å; L139-F167 HydrophobicContact CD1-CG 3.85Å; L139-F167 HydrophobicContact CD2-CB 4.12Å; L139-F167 HydrophobicContact CD2-CD1 3.81Å; L139-F167 HydrophobicContact CD2-CD2 4.33Å; L139-F167 HydrophobicContact CD2-CE1 4.21Å; L139-F167 HydrophobicContact CD2-CG 3.84Å; L139-F167 HydrophobicContact CG-CB 3.94Å; L139-F167 HydrophobicContact CG-CG 4.14Å; L139-V172 HydrophobicContact CD1-CG1 3.72Å |
| 140 | L | 69.3 | Low | 69.1 | Low | 102 Ų | 102 | 72.5 Ų | 72.5 | 53% | 0.534 | 36% | 0.364 | S | S | . | . | trans | -105.7 | 125.5 | 174.2 | -62.9 | 176.9 | 0 | 0 | 0 | 108.7 | V125 T138 G142 S143 | V125-L140 VanDerWaalsContact CB-O 3.26Å; V125-L140 WeakPolarHBondContact CB-O 3.4Å; V125-L140 WeakPolarHBondContact CG1-O 2.73Å; T138-L140 HydrophobicContact CG2-CD2 4.42Å; L140-G142 PolarHBondContact O-N 2.92Å; L140-S143 VanDerWaalsContact O-CB 3.29Å; L140-S143 WeakPolarHBondContact O-CB 3.21Å; L140-S143 PolarHBondContact O-N 3.16Å; L140-S143 PolarHBondContact O-OG 2.79Å; L140-S143 VanDerWaalsContact O-OG 3.13Å | ||
| 141 | K | 69.9 | Low | 68.4 | Low | 150 Ų | 150 | 69.3 Ų | 69.3 | 65% | 0.652 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 125.2 | -179.6 | -179.5 | 165.4 | -178.5 | 166.6 | 0 | 111 | K126 A128 | K126-K141 VanDerWaalsContact O-CD 3.29Å; K126-K141 WeakPolarHBondContact O-CD 3.18Å; K126-K141 WeakPolarHBondContact O-CE 3.42Å; K126-K141 WeakPolarHBondContact O-CG 3.48Å; A128-K141 HydrophobicContact CB-CB 4.13Å |
| 142 | G | 60.4 | Low | 67.1 | Low | 55 Ų | 55 | 74.6 Ų | 74.6 | 57% | 0.567 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | -4.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | V125 L140 | V125-G142 PolarHBondContact O-N 3.45Å; L140-G142 PolarHBondContact O-N 2.92Å |
| 143 | S | 73.8 | Confident | 66.6 | Low | 20 Ų | 20 | 71.4 Ų | 71.4 | 14% | 0.14 | 37% | 0.37 | C | S | . | . | trans | -76.8 | 161.3 | 173.1 | 87.7 | 0 | 0 | 0 | 0 | 111.8 | V125 L140 H160 | V125-S143 WeakPolarHBondContact CG2-O 3.49Å; V125-S143 PolarHBondContact N-O 2.83Å; L140-S143 VanDerWaalsContact O-CB 3.29Å; L140-S143 WeakPolarHBondContact O-CB 3.21Å; L140-S143 PolarHBondContact O-N 3.16Å; L140-S143 PolarHBondContact O-OG 2.79Å; L140-S143 VanDerWaalsContact O-OG 3.13Å; S143-H160 WeakPolarHBondContact CB-NE2 3.3Å; S143-H160 PolarHBondContact OG-CE1 2.91Å; S143-H160 PolarHBondContact OG-NE2 2.82Å | ||
| 144 | R | 79.7 | Confident | 66.7 | Low | 158 Ų | 158 | 66.2 Ų | 66.2 | 60% | 0.596 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 126.6 | 178 | -71.2 | 168.5 | 170.1 | -96 | -14.2 | 108.9 | A123 V124 H160 E175 | A123-R144 WeakPolarHBondContact O-CA 3.15Å; V124-R144 HydrophobicContact CG2-CG 4.37Å; R144-H160 PolarHBondContact O-CD2 3.39Å; R144-E175 IonicContact CZ-OE1 3.65Å; R144-E175 IonicContact CZ-OE2 2.86Å; R144-E175 VanDerWaalsContact CZ-OE2 3.26Å; R144-E175 VanDerWaalsContact NH1-CD 3.35Å; R144-E175 IonicContact NH1-OE1 3.42Å; R144-E175 PolarHBondContact NH1-OE1 3.1Å; R144-E175 IonicContact NH1-OE2 3.67Å; R144-E175 PolarHBondContact NH1-OE2 3.03Å; R144-E175 IonicContact NH2-OE1 3.76Å; R144-E175 PolarHBondContact NH2-OE1 2.84Å; R144-E175 IonicContact NH2-OE2 2.68Å; R144-E175 PolarHBondContact NH2-OE2 3.18Å |
| 145 | V | 80.8 | Confident | 67.1 | Low | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.012 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 150.3 | 176.9 | -54.6 | 0 | 0 | 0 | 0 | 109.7 | A123 V125 L139 S159 H160 F167 V172 | A123-V145 HydrophobicContact CB-CG2 4.22Å; A123-V145 PolarHBondContact N-O 2.83Å; A123-V145 PolarHBondContact O-N 2.62Å; V125-V145 HydrophobicContact CG2-CG1 3.77Å; V125-V145 HydrophobicContact CG2-CG2 4.36Å; L139-V145 HydrophobicContact CD2-CG1 3.87Å; L139-V145 HydrophobicContact CD2-CG2 4.47Å; V145-S159 WeakPolarHBondContact CA-O 3.34Å; V145-H160 HydrophobicContact CB-CB 4.41Å; V145-H160 HydrophobicContact CG1-CB 3.72Å; V145-F167 HydrophobicContact CG2-CE1 4.35Å; V145-F167 HydrophobicContact CG2-CZ 3.9Å; V145-V172 HydrophobicContact CG2-CG1 3.89Å |
| 146 | V | 77.2 | Confident | 67.8 | Low | 43 Ų | 43 | 59.1 Ų | 59.1 | 26% | 0.261 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 114.3 | 176.7 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | N120 I121 M148 G158 S159 | N120-V146 HydrophobicContact CB-CG1 4.31Å; I121-V146 CarbonylContact O-C 3.58Å; V146-M148 PolarHBondContact O-N 3.05Å; V146-G158 CarbonylContact O-C 3.57Å; V146-G158 WeakPolarHBondContact O-CA 3.41Å; V146-S159 PolarHBondContact N-O 2.86Å; V146-S159 PolarHBondContact O-N 3.3Å |
| 147 | V | 78 | Confident | 67.8 | Low | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 119.1 | 174.5 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | L119 I121 A123 K150 W156 F167 | L119-V147 CarbonylContact C-O 3.51Å; L119-V147 VanDerWaalsContact C-O 3.29Å; L119-V147 VanDerWaalsContact O-O 3.09Å; I121-V147 HydrophobicContact CB-CB 4.38Å; I121-V147 PolarHBondContact N-O 2.88Å; I121-V147 PolarHBondContact O-N 2.81Å; A123-V147 HydrophobicContact CB-CG2 3.74Å; V147-K150 HydrophobicContact CG1-CG 3.95Å; V147-W156 HydrophobicContact CB-CE3 4.38Å; V147-W156 HydrophobicContact CG1-CB 4.28Å; V147-W156 HydrophobicContact CG1-CD2 4.12Å; V147-W156 HydrophobicContact CG1-CE3 3.76Å; V147-W156 HydrophobicContact CG1-CG 4.37Å; V147-W156 HydrophobicContact CG1-CZ3 4.45Å; V147-W156 HydrophobicContact CG2-CE3 3.66Å; V147-W156 HydrophobicContact CG2-CZ3 4.01Å; V147-F167 HydrophobicContact CG2-CZ 4.24Å |
| 148 | M | 66.5 | Low | 68.1 | Low | 47 Ų | 47 | 61.5 Ų | 61.5 | 23% | 0.232 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -33.6 | -177 | -61.3 | -174.1 | 80.2 | 0 | 0 | 113 | L119 V146 R157 V164 | L119-M148 PolarHBondContact N-O 3.16Å; L119-M148 VanDerWaalsContact O-CA 3.29Å; L119-M148 WeakPolarHBondContact O-CA 3.44Å; V146-M148 PolarHBondContact O-N 3.05Å; M148-R157 PolarHBondContact N-O 2.88Å; M148-V164 HydrophobicContact SD-CG1 4.07Å; M148-V164 HydrophobicContact SD-CG2 4.4Å |
| 149 | E | 69.6 | Low | 68.3 | Low | 44 Ų | 44 | 60.2 Ų | 60.2 | 21% | 0.206 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 144.9 | -175.2 | -157.1 | 175.2 | 161.2 | 0 | 0 | 109.6 | Y117 W156 R157 W166 | Y117-E149 HydrophobicContact CD1-CG 3.91Å; E149-W156 CarbonylContact O-C 3.35Å; E149-W156 WeakPolarHBondContact O-CA 3.4Å; E149-R157 HydrophobicContact CB-CB 3.57Å; E149-R157 PolarHBondContact N-O 3.33Å; E149-R157 VanDerWaalsContact N-O 3.1Å; E149-R157 PolarHBondContact O-N 2.9Å; E149-R157 WeakPolarHBondContact OE2-CD 3.15Å; E149-W166 HydrophobicContact CB-CH2 4.43Å; E149-W166 HydrophobicContact CG-CH2 4.28Å |
| 150 | K | 67.6 | Low | 68.4 | Low | 82 Ų | 82 | 62.2 Ų | 62.2 | 36% | 0.357 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 112.5 | 176.3 | -63.8 | -174.7 | 179.3 | 177.5 | 0 | 109.8 | L119 V147 W156 E174 | L119-K150 HydrophobicContact CD1-CD 4.12Å; L119-K150 HydrophobicContact CD1-CG 3.96Å; V147-K150 HydrophobicContact CG1-CG 3.95Å; K150-W156 HydrophobicContact CB-CG 4.42Å; K150-W156 HydrophobicContact CD-CD2 4.32Å; K150-W156 HydrophobicContact CD-CH2 4.45Å; K150-W156 HydrophobicContact CD-CZ2 3.84Å; K150-W156 HydrophobicContact CG-CD2 3.93Å; K150-W156 HydrophobicContact CG-CG 3.99Å; K150-W156 HydrophobicContact CG-CZ2 4.34Å; K150-E174 WeakPolarHBondContact CE-OE1 3.22Å; K150-E174 IonicContact NZ-OE1 2.64Å; K150-E174 PolarHBondContact NZ-OE1 2.87Å; K150-E174 IonicContact NZ-OE2 3.67Å; K150-E174 PolarHBondContact NZ-OE2 2.83Å |
| 151 | C | 50.5 | Low | 68.3 | Low | 38 Ų | 38 | 61.7 Ų | 61.7 | 26% | 0.257 | 34% | 0.339 | S | S | . | . | trans | -87.8 | 149.2 | 172.7 | -67.8 | 0 | 0 | 0 | 0 | 111.1 | D153 G154 W155 W166 | C151-D153 WeakPolarHBondContact CB-OD1 3.25Å; C151-D153 PolarHBondContact O-N 3.09Å; C151-G154 PolarHBondContact O-N 2.84Å; C151-W155 VanDerWaalsContact CB-O 3.27Å; C151-W155 WeakPolarHBondContact CB-O 3.44Å; C151-W155 PolarHBondContact N-O 3.47Å; C151-W166 HydrophobicContact CB-CZ3 4.39Å; C151-W166 WeakPolarHBondContact SG-CH2 3.4Å; C151-W166 WeakPolarHBondContact SG-CZ3 3.27Å | ||
| 152 | S | 41.5 | Very low | 68 | Low | 140 Ų | 140 | 58.2 Ų | 58.2 | 98% | 0.979 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | 1.4 | -179.8 | 58.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 153 | D | 44.1 | Very low | 68 | Low | 110 Ų | 110 | 64.6 Ų | 64.6 | 59% | 0.588 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 3.8 | 176.2 | 60.7 | 3.1 | 0 | 0 | 0 | 113.1 | C151 W155 | C151-D153 WeakPolarHBondContact CB-OD1 3.25Å; C151-D153 PolarHBondContact O-N 3.09Å; D153-W155 PolarHBondContact OD1-N 3.26Å |
| 154 | G | 56.7 | Low | 68 | Low | 29 Ų | 29 | 66.9 Ų | 66.9 | 30% | 0.299 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 88.9 | 5.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | C151 S169 | C151-G154 PolarHBondContact O-N 2.84Å; G154-S169 WeakPolarHBondContact O-CB 3.48Å; G154-S169 PolarHBondContact O-N 3.48Å; G154-S169 PolarHBondContact O-OG 2.86Å |
| 155 | W | 66.6 | Low | 67.5 | Low | 84 Ų | 84 | 59.4 Ų | 59.4 | 32% | 0.318 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 129.3 | 174.6 | -70.9 | 82.5 | 0 | 0 | 0 | 111.7 | Y129 E136 C151 D153 W166 P168 | Y129-W155 WeakPolarHBondContact OH-CH2 3.25Å; E136-W155 HydrophobicContact CG-CZ3 4.11Å; C151-W155 VanDerWaalsContact CB-O 3.27Å; C151-W155 WeakPolarHBondContact CB-O 3.44Å; C151-W155 PolarHBondContact N-O 3.47Å; D153-W155 PolarHBondContact OD1-N 3.26Å; W155-W166 HydrophobicContact CB-CE3 4.16Å; W155-W166 HydrophobicContact CE3-CB 3.93Å; W155-W166 HydrophobicContact CZ3-CB 4.39Å; W155-P168 HydrophobicContact CH2-CG 4.37Å; W155-P168 HydrophobicContact CZ3-CG 4.31Å |
| 156 | W | 77 | Confident | 67.1 | Low | 38 Ų | 38 | 62.2 Ų | 62.2 | 14% | 0.144 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 139.2 | 175.3 | -70 | 5.4 | 0 | 0 | 0 | 109.2 | V147 E149 K150 W166 F167 S169 V172 E174 | V147-W156 HydrophobicContact CB-CE3 4.38Å; V147-W156 HydrophobicContact CG1-CB 4.28Å; V147-W156 HydrophobicContact CG1-CD2 4.12Å; V147-W156 HydrophobicContact CG1-CE3 3.76Å; V147-W156 HydrophobicContact CG1-CG 4.37Å; V147-W156 HydrophobicContact CG1-CZ3 4.45Å; V147-W156 HydrophobicContact CG2-CE3 3.66Å; V147-W156 HydrophobicContact CG2-CZ3 4.01Å; E149-W156 CarbonylContact O-C 3.35Å; E149-W156 WeakPolarHBondContact O-CA 3.4Å; K150-W156 HydrophobicContact CB-CG 4.42Å; K150-W156 HydrophobicContact CD-CD2 4.32Å; K150-W156 HydrophobicContact CD-CH2 4.45Å; K150-W156 HydrophobicContact CD-CZ2 3.84Å; K150-W156 HydrophobicContact CG-CD2 3.93Å; K150-W156 HydrophobicContact CG-CG 3.99Å; K150-W156 HydrophobicContact CG-CZ2 4.34Å; W156-W166 CarbonylContact O-C 3.5Å; W156-W166 WeakPolarHBondContact O-CA 3.46Å; W156-F167 HydrophobicContact CB-CD2 4.25Å; W156-F167 HydrophobicContact CB-CE2 3.8Å; W156-F167 HydrophobicContact CB-CZ 4.25Å; W156-F167 HydrophobicContact CE3-CE2 4.42Å; W156-F167 PolarHBondContact N-O 3.13Å; W156-F167 PolarHBondContact O-N 2.81Å; W156-S169 VanDerWaalsContact CE2-CB 3.4Å; W156-V172 HydrophobicContact CE3-CG2 3.58Å; W156-V172 HydrophobicContact CZ3-CG2 3.59Å; W156-E174 HydrophobicContact CH2-CG 3.68Å; W156-E174 HydrophobicContact CZ3-CG 3.6Å |
| 157 | R | 72.8 | Confident | 66.8 | Low | 88 Ų | 88 | 60.2 Ų | 60.2 | 33% | 0.332 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 136.8 | 170.5 | -158.4 | 174.4 | 171 | -110.3 | -5.2 | 107.9 | M148 E149 V164 G165 W166 | M148-R157 PolarHBondContact N-O 2.88Å; E149-R157 HydrophobicContact CB-CB 3.57Å; E149-R157 PolarHBondContact N-O 3.33Å; E149-R157 VanDerWaalsContact N-O 3.1Å; E149-R157 PolarHBondContact O-N 2.9Å; E149-R157 WeakPolarHBondContact OE2-CD 3.15Å; R157-V164 HydrophobicContact CG-CG1 4.19Å; R157-G165 WeakPolarHBondContact CA-O 3.49Å; R157-W166 HydrophobicContact CB-CD2 3.99Å; R157-W166 HydrophobicContact CB-CE3 3.68Å; R157-W166 HydrophobicContact CB-CH2 3.84Å; R157-W166 HydrophobicContact CB-CZ2 4.14Å; R157-W166 HydrophobicContact CB-CZ3 3.61Å; R157-W166 HydrophobicContact CG-CD2 4.1Å; R157-W166 HydrophobicContact CG-CE3 4.31Å; R157-W166 HydrophobicContact CG-CH2 4.39Å; R157-W166 HydrophobicContact CG-CZ2 4.19Å; R157-W166 HydrophobicContact CG-CZ3 4.46Å |
| 158 | G | 79.1 | Confident | 66.2 | Low | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 178.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114 | L137 V146 V164 G165 | L137-G158 WeakPolarHBondContact CD2-O 3.22Å; V146-G158 CarbonylContact O-C 3.57Å; V146-G158 WeakPolarHBondContact O-CA 3.41Å; G158-V164 VanDerWaalsContact O-CA 3.28Å; G158-V164 WeakPolarHBondContact O-CA 3.44Å; G158-V164 WeakPolarHBondContact O-CG1 3.33Å; G158-G165 PolarHBondContact N-O 2.99Å; G158-G165 PolarHBondContact O-N 2.86Å |
| 159 | S | 77.1 | Confident | 66.1 | Low | 33 Ų | 33 | 60 Ų | 60 | 23% | 0.231 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 135.5 | -177.2 | -171 | 0 | 0 | 0 | 0 | 111.6 | V145 V146 R163 | V145-S159 WeakPolarHBondContact CA-O 3.34Å; V146-S159 PolarHBondContact N-O 2.86Å; V146-S159 PolarHBondContact O-N 3.3Å; S159-R163 CarbonylContact C-O 3.43Å; S159-R163 VanDerWaalsContact CA-O 3.29Å; S159-R163 WeakPolarHBondContact CA-O 3.33Å; S159-R163 PolarHBondContact OG-O 2.68Å |
| 160 | H | 77.9 | Confident | 65.7 | Low | 43 Ų | 43 | 63.1 Ų | 63.1 | 20% | 0.199 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 125.9 | 173.2 | -175.8 | -136 | 0 | 0 | 0 | 109.7 | L137 S143 R144 V145 G162 R163 | L137-H160 HydrophobicContact CD1-CB 4.24Å; L137-H160 HydrophobicContact CD2-CB 3.83Å; L137-H160 HydrophobicContact CG-CB 4.32Å; S143-H160 WeakPolarHBondContact CB-NE2 3.3Å; S143-H160 PolarHBondContact OG-CE1 2.91Å; S143-H160 PolarHBondContact OG-NE2 2.82Å; R144-H160 PolarHBondContact O-CD2 3.39Å; V145-H160 HydrophobicContact CB-CB 4.41Å; V145-H160 HydrophobicContact CG1-CB 3.72Å; H160-G162 PolarHBondContact O-N 2.93Å; H160-G162 VanDerWaalsContact O-N 3.13Å; H160-R163 PolarHBondContact N-O 2.99Å; H160-R163 PolarHBondContact O-N 2.88Å |
| 161 | A | 67.6 | Low | 65.5 | Low | 92 Ų | 92 | 63.3 Ų | 63.3 | 76% | 0.76 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 40.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R163 | A161-R163 VanDerWaalsContact C-N 3.28Å; A161-R163 PolarHBondContact O-N 3.29Å |
| 162 | G | 63.3 | Low | 66.5 | Low | 77 Ų | 77 | 62.1 Ų | 62.1 | 79% | 0.794 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | -1.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | H160 | H160-G162 PolarHBondContact O-N 2.93Å; H160-G162 VanDerWaalsContact O-N 3.13Å |
| 163 | R | 60.4 | Low | 67.9 | Low | 189 Ų | 189 | 59.8 Ų | 59.8 | 71% | 0.713 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 142.8 | 168.4 | -85.8 | 178.2 | -83.1 | -163.7 | -6.2 | 110.2 | L137 S159 H160 A161 | L137-R163 HydrophobicContact CD1-CB 3.9Å; L137-R163 WeakPolarHBondContact CD1-O 3.27Å; S159-R163 CarbonylContact C-O 3.43Å; S159-R163 VanDerWaalsContact CA-O 3.29Å; S159-R163 WeakPolarHBondContact CA-O 3.33Å; S159-R163 PolarHBondContact OG-O 2.68Å; H160-R163 PolarHBondContact N-O 2.99Å; H160-R163 PolarHBondContact O-N 2.88Å; A161-R163 VanDerWaalsContact C-N 3.28Å; A161-R163 PolarHBondContact O-N 3.29Å |
| 164 | V | 74.4 | Confident | 69.4 | Low | 67 Ų | 67 | 57 Ų | 57 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 133.6 | 177.7 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | M148 R157 G158 | M148-V164 HydrophobicContact SD-CG1 4.07Å; M148-V164 HydrophobicContact SD-CG2 4.4Å; R157-V164 HydrophobicContact CG-CG1 4.19Å; G158-V164 VanDerWaalsContact O-CA 3.28Å; G158-V164 WeakPolarHBondContact O-CA 3.44Å; G158-V164 WeakPolarHBondContact O-CG1 3.33Å |
| 165 | G | 69.8 | Low | 69.9 | Low | 2 Ų | 2 | 58.5 Ų | 58.5 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | 177.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D135 R157 G158 | D135-G165 CarbonylContact O-C 3.56Å; D135-G165 VanDerWaalsContact O-CA 3.24Å; D135-G165 WeakPolarHBondContact O-CA 3.45Å; R157-G165 WeakPolarHBondContact CA-O 3.49Å; G158-G165 PolarHBondContact N-O 2.99Å; G158-G165 PolarHBondContact O-N 2.86Å |
| 166 | W | 71.9 | Confident | 69.1 | Low | 61 Ų | 61 | 62 Ų | 62 | 23% | 0.231 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 143.9 | 179.8 | -62.4 | 100.5 | 0 | 0 | 0 | 112.2 | D135 E136 L137 E149 C151 W155 W156 R157 | D135-W166 VanDerWaalsContact O-CD1 3.28Å; D135-W166 PolarHBondContact O-N 2.79Å; E136-W166 CarbonylContact C-O 3.52Å; E136-W166 VanDerWaalsContact CA-O 3.23Å; E136-W166 WeakPolarHBondContact CA-O 3.39Å; L137-W166 PolarHBondContact N-O 2.63Å; E149-W166 HydrophobicContact CB-CH2 4.43Å; E149-W166 HydrophobicContact CG-CH2 4.28Å; C151-W166 HydrophobicContact CB-CZ3 4.39Å; C151-W166 WeakPolarHBondContact SG-CH2 3.4Å; C151-W166 WeakPolarHBondContact SG-CZ3 3.27Å; W155-W166 HydrophobicContact CB-CE3 4.16Å; W155-W166 HydrophobicContact CE3-CB 3.93Å; W155-W166 HydrophobicContact CZ3-CB 4.39Å; W156-W166 CarbonylContact O-C 3.5Å; W156-W166 WeakPolarHBondContact O-CA 3.46Å; R157-W166 HydrophobicContact CB-CD2 3.99Å; R157-W166 HydrophobicContact CB-CE3 3.68Å; R157-W166 HydrophobicContact CB-CH2 3.84Å; R157-W166 HydrophobicContact CB-CZ2 4.14Å; R157-W166 HydrophobicContact CB-CZ3 3.61Å; R157-W166 HydrophobicContact CG-CD2 4.1Å; R157-W166 HydrophobicContact CG-CE3 4.31Å; R157-W166 HydrophobicContact CG-CH2 4.39Å; R157-W166 HydrophobicContact CG-CZ2 4.19Å; R157-W166 HydrophobicContact CG-CZ3 4.46Å |
| 167 | F | 71.3 | Confident | 67.3 | Low | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 157.8 | 173.5 | 54.2 | -98.8 | 0 | 0 | 0 | 111 | Y129 L137 L139 V145 V147 W156 V172 | Y129-F167 HydrophobicContact CD1-CB 4.1Å; Y129-F167 HydrophobicContact CE1-CB 4.26Å; L137-F167 HydrophobicContact CB-CD1 4.05Å; L137-F167 HydrophobicContact CD2-CD1 3.8Å; L137-F167 HydrophobicContact CD2-CE1 3.85Å; L139-F167 HydrophobicContact CD1-CB 3.75Å; L139-F167 HydrophobicContact CD1-CD2 3.85Å; L139-F167 HydrophobicContact CD1-CG 3.85Å; L139-F167 HydrophobicContact CD2-CB 4.12Å; L139-F167 HydrophobicContact CD2-CD1 3.81Å; L139-F167 HydrophobicContact CD2-CD2 4.33Å; L139-F167 HydrophobicContact CD2-CE1 4.21Å; L139-F167 HydrophobicContact CD2-CG 3.84Å; L139-F167 HydrophobicContact CG-CB 3.94Å; L139-F167 HydrophobicContact CG-CG 4.14Å; V145-F167 HydrophobicContact CG2-CE1 4.35Å; V145-F167 HydrophobicContact CG2-CZ 3.9Å; V147-F167 HydrophobicContact CG2-CZ 4.24Å; W156-F167 HydrophobicContact CB-CD2 4.25Å; W156-F167 HydrophobicContact CB-CE2 3.8Å; W156-F167 HydrophobicContact CB-CZ 4.25Å; W156-F167 HydrophobicContact CE3-CE2 4.42Å; W156-F167 PolarHBondContact N-O 3.13Å; W156-F167 PolarHBondContact O-N 2.81Å; F167-V172 HydrophobicContact CD2-CG1 4Å; F167-V172 HydrophobicContact CD2-CG2 4.46Å; F167-V172 HydrophobicContact CE2-CB 4.35Å; F167-V172 HydrophobicContact CE2-CG1 3.63Å; F167-V172 HydrophobicContact CE2-CG2 3.71Å; F167-V172 HydrophobicContact CZ-CG1 4.33Å |
| 168 | P | 63.6 | Low | 65.9 | Low | 24 Ų | 24 | 66.3 Ų | 66.3 | 16% | 0.156 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 135 | 178.9 | -16.4 | 30.3 | 0 | 0 | 0 | 111.5 | Y129 W155 N170 Y171 | Y129-P168 HydrophobicContact CD2-CG 4.34Å; Y129-P168 HydrophobicContact CE2-CG 4.19Å; W155-P168 HydrophobicContact CH2-CG 4.37Å; W155-P168 HydrophobicContact CZ3-CG 4.31Å; P168-N170 PolarHBondContact O-N 3.4Å; P168-Y171 HydrophobicContact CB-CD2 3.74Å; P168-Y171 HydrophobicContact CB-CE2 4.17Å; P168-Y171 HydrophobicContact CB-CG 4.49Å; P168-Y171 HydrophobicContact CG-CD2 4.11Å; P168-Y171 HydrophobicContact CG-CE2 4.31Å; P168-Y171 PolarHBondContact O-N 3.32Å; P168-Y171 VanDerWaalsContact O-N 3.15Å |
| 169 | S | 64.6 | Low | 63.8 | Low | 18 Ų | 18 | 72.8 Ų | 72.8 | 13% | 0.126 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -54.1 | -39.8 | -178.6 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | G154 W156 Y171 V172 | G154-S169 WeakPolarHBondContact O-CB 3.48Å; G154-S169 PolarHBondContact O-N 3.48Å; G154-S169 PolarHBondContact O-OG 2.86Å; W156-S169 VanDerWaalsContact CE2-CB 3.4Å; S169-Y171 PolarHBondContact O-N 3.34Å; S169-V172 WeakPolarHBondContact O-CG2 3.39Å; S169-V172 PolarHBondContact O-N 3.03Å |
| 170 | N | 62.1 | Low | 61.8 | Low | 110 Ų | 110 | 78.4 Ų | 78.4 | 59% | 0.588 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -69.7 | -7.6 | -173.3 | -55.3 | 5.6 | 0 | 0 | 0 | 113.1 | P168 | P168-N170 PolarHBondContact O-N 3.4Š|
| 171 | Y | 62.3 | Low | 59.7 | Low | 87 Ų | 87 | 83.8 Ų | 83.8 | 34% | 0.341 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -91 | -7.6 | -179.5 | -77.2 | -119 | 0 | 0 | 0 | 112.5 | V125 K126 F127 Y129 P168 S169 | V125-Y171 CarbonylContact C-O 3.5Å; V125-Y171 WeakPolarHBondContact CA-O 3.21Å; K126-Y171 PolarHBondContact N-O 2.96Å; F127-Y171 HydrophobicContact CB-CD1 3.52Å; F127-Y171 HydrophobicContact CB-CE1 3.91Å; F127-Y171 HydrophobicContact CB-CG 4.08Å; F127-Y171 PolarHBondContact N-O 3.21Å; Y129-Y171 HydrophobicContact CD2-CE1 4.43Å; Y129-Y171 HydrophobicContact CG-CD1 4.48Å; P168-Y171 HydrophobicContact CB-CD2 3.74Å; P168-Y171 HydrophobicContact CB-CE2 4.17Å; P168-Y171 HydrophobicContact CB-CG 4.49Å; P168-Y171 HydrophobicContact CG-CD2 4.11Å; P168-Y171 HydrophobicContact CG-CE2 4.31Å; P168-Y171 PolarHBondContact O-N 3.32Å; P168-Y171 VanDerWaalsContact O-N 3.15Å; S169-Y171 PolarHBondContact O-N 3.34Å |
| 172 | V | 73.3 | Confident | 58.2 | Low | 12 Ų | 12 | 82.3 Ų | 82.3 | 7% | 0.073 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 149.2 | 178.9 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | A123 V124 V125 L139 V145 W156 F167 S169 | A123-V172 HydrophobicContact CB-CB 3.98Å; A123-V172 HydrophobicContact CB-CG2 4.08Å; V124-V172 WeakPolarHBondContact O-CA 3.21Å; V125-V172 HydrophobicContact CG2-CG1 4.17Å; L139-V172 HydrophobicContact CD1-CG1 3.72Å; V145-V172 HydrophobicContact CG2-CG1 3.89Å; W156-V172 HydrophobicContact CE3-CG2 3.58Å; W156-V172 HydrophobicContact CZ3-CG2 3.59Å; F167-V172 HydrophobicContact CD2-CG1 4Å; F167-V172 HydrophobicContact CD2-CG2 4.46Å; F167-V172 HydrophobicContact CE2-CB 4.35Å; F167-V172 HydrophobicContact CE2-CG1 3.63Å; F167-V172 HydrophobicContact CE2-CG2 3.71Å; F167-V172 HydrophobicContact CZ-CG1 4.33Å; S169-V172 WeakPolarHBondContact O-CG2 3.39Å; S169-V172 PolarHBondContact O-N 3.03Å |
| 173 | Q | 70.6 | Confident | 56.7 | Low | 91 Ų | 91 | 86.7 Ų | 86.7 | 43% | 0.425 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 125.1 | 169.3 | 176.7 | 70.3 | 64 | 0 | 0 | 108.4 | A123 V124 K126 E175 | A123-Q173 CarbonylContact C-O 3.43Å; A123-Q173 WeakPolarHBondContact CA-O 3.43Å; A123-Q173 WeakPolarHBondContact CB-O 3.32Å; V124-Q173 PolarHBondContact N-O 2.83Å; V124-Q173 PolarHBondContact O-N 3.4Å; K126-Q173 HydrophobicContact CD-CB 4.15Å; K126-Q173 HydrophobicContact CG-CB 3.84Å; Q173-E175 PolarHBondContact O-N 2.88Å |
| 174 | E | 75.5 | Confident | 55.5 | Low | 51 Ų | 51 | 80.9 Ų | 80.9 | 24% | 0.238 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 128 | 173.7 | -58.7 | -167.5 | 100 | 0 | 0 | 110.4 | I121 K150 W156 L176 | I121-E174 VanDerWaalsContact CD1-OE1 3.27Å; I121-E174 WeakPolarHBondContact CD1-OE1 3.37Å; I121-E174 HydrophobicContact CG2-CB 4.11Å; I121-E174 HydrophobicContact CG2-CG 4.27Å; I121-E174 WeakPolarHBondContact CG2-OE1 3.31Å; K150-E174 WeakPolarHBondContact CE-OE1 3.22Å; K150-E174 IonicContact NZ-OE1 2.64Å; K150-E174 PolarHBondContact NZ-OE1 2.87Å; K150-E174 IonicContact NZ-OE2 3.67Å; K150-E174 PolarHBondContact NZ-OE2 2.83Å; W156-E174 HydrophobicContact CH2-CG 3.68Å; W156-E174 HydrophobicContact CZ3-CG 3.6Å; E174-L176 PolarHBondContact O-N 3.28Å |
| 175 | E | 66.1 | Low | 53.3 | Low | 62 Ų | 62 | 85.3 Ų | 85.3 | 29% | 0.29 | 49% | 0.49 | S | S | . | . | trans | -92.7 | 90.5 | 173.8 | -165.1 | 175.2 | -146.6 | 0 | 0 | 106.2 | P122 R144 Q173 M177 | P122-E175 HydrophobicContact CG-CB 4.35Å; P122-E175 WeakPolarHBondContact CG-O 3.4Å; P122-E175 WeakPolarHBondContact O-CB 3.26Å; P122-E175 PolarHBondContact O-N 2.84Å; R144-E175 IonicContact CZ-OE1 3.65Å; R144-E175 IonicContact CZ-OE2 2.86Å; R144-E175 VanDerWaalsContact CZ-OE2 3.26Å; R144-E175 VanDerWaalsContact NH1-CD 3.35Å; R144-E175 IonicContact NH1-OE1 3.42Å; R144-E175 PolarHBondContact NH1-OE1 3.1Å; R144-E175 IonicContact NH1-OE2 3.67Å; R144-E175 PolarHBondContact NH1-OE2 3.03Å; R144-E175 IonicContact NH2-OE1 3.76Å; R144-E175 PolarHBondContact NH2-OE1 2.84Å; R144-E175 IonicContact NH2-OE2 2.68Å; R144-E175 PolarHBondContact NH2-OE2 3.18Å; Q173-E175 PolarHBondContact O-N 2.88Å; E175-M177 PolarHBondContact O-N 3.01Å | ||
| 176 | L | 50.8 | Low | 51.7 | Low | 158 Ų | 158 | 89.9 Ų | 89.9 | 83% | 0.827 | 52% | 0.521 | S | S | * | . | trans | -56.1 | 113 | 172.1 | -71.9 | 168.7 | 0 | 0 | 0 | 107.5 | E174 G178 | E174-L176 PolarHBondContact O-N 3.28Å; L176-G178 VanDerWaalsContact C-N 3.34Å; L176-G178 PolarHBondContact O-N 3Å | ||
| 177 | M | 38.9 | Very low | 50.5 | Low | 149 Ų | 149 | 92.7 Ų | 92.7 | 73% | 0.734 | 55% | 0.547 | S | S | * | . | trans | -60.8 | 103.9 | 166.6 | -69.1 | -171.5 | -177.9 | 0 | 0 | 106.6 | P122 E175 V179 | P122-M177 HydrophobicContact CG-CE 3.73Å; P122-M177 HydrophobicContact CG-CG 4.11Å; E175-M177 PolarHBondContact O-N 3.01Å; M177-V179 PolarHBondContact O-N 3.05Å | ||
| 178 | G | 42.6 | Very low | 48.7 | Very low | 67 Ų | 67 | 104.7 Ų | 104.7 | 69% | 0.691 | 59% | 0.592 | S | S | * | * | trans | -53.6 | 130.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | L176 D180 | L176-G178 VanDerWaalsContact C-N 3.34Å; L176-G178 PolarHBondContact O-N 3Å; G178-D180 PolarHBondContact O-N 3.34Å | ||
| 179 | V | 36 | Very low | 47 | Very low | 136 Ų | 136 | 107.6 Ų | 107.6 | 82% | 0.824 | 62% | 0.618 | S | S | * | * | trans | -61.2 | 115.3 | 170.1 | 177.1 | 0 | 0 | 0 | 0 | 106.1 | M177 D181 | M177-V179 PolarHBondContact O-N 3.05Å; V179-D181 VanDerWaalsContact C-N 3.33Å; V179-D181 PolarHBondContact O-N 3.09Å | ||
| 180 | D | 34.9 | Very low | 45.4 | Very low | 150 Ų | 150 | 117.5 Ų | 117.5 | 80% | 0.802 | 65% | 0.654 | S | S | * | * | trans | -68.1 | 91.4 | 176.3 | -172.7 | -111.3 | 0 | 0 | 0 | 108.3 | G178 | G178-D180 PolarHBondContact O-N 3.34Š| ||
| 181 | D | 34.4 | Very low | 43.8 | Very low | 157 Ų | 157 | 120.7 Ų | 120.7 | 84% | 0.84 | 67% | 0.671 | S | S | * | * | trans | -99.7 | 90.5 | 158.8 | -144.1 | -82.6 | 0 | 0 | 0 | 105.8 | V179 D183 | V179-D181 VanDerWaalsContact C-N 3.33Å; V179-D181 PolarHBondContact O-N 3.09Å; D181-D183 PolarHBondContact O-N 3.47Å | ||
| 182 | G | 34.8 | Very low | 42 | Very low | 60 Ų | 60 | 120 Ų | 120 | 62% | 0.619 | 69% | 0.689 | S | S | * | * | trans | -76.3 | 120.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 183 | D | 33.1 | Very low | 39.9 | Very low | 169 Ų | 169 | 122.8 Ų | 122.8 | 90% | 0.904 | 72% | 0.721 | S | S | * | * | trans | -141 | 137.9 | 141.2 | -162.9 | -139.4 | 0 | 0 | 0 | 109.2 | D181 | D181-D183 PolarHBondContact O-N 3.47Š| ||
| 184 | G | 34.3 | Very low | 37.8 | Very low | 67 Ų | 67 | 124.7 Ų | 124.7 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | trans | -111.9 | 143.8 | -165.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 185 | D | 29.2 | Very low | 35.7 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | -149.9 | 167.3 | 126.5 | -164.4 | -140.2 | 0 | 0 | 0 | 111.2 | |||||
| 186 | S | 35.8 | Very low | 34 | Very low | 97 Ų | 97 | 133.8 Ų | 133.8 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | trans | -103.8 | -155 | -147.3 | -50.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 187 | P | 47.6 | Very low | 33 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | -119.3 | 166 | -116.4 | 34.8 | -16.4 | 0 | 0 | 0 | 113.8 | |||||
| 188 | R | 32.3 | Very low | 32.7 | Very low | 253 Ų | 253 | 131.6 Ų | 131.6 | 96% | 0.955 | 80% | 0.796 | S | S | * | * | trans | -150.4 | 123.4 | 154.6 | -129.9 | 169.2 | 165.8 | 109.5 | 0.4 | 115.6 | ||||
| 189 | A | 28.3 | Very low | 31.9 | Very low | 84 Ų | 84 | 131.7 Ų | 131.7 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | trans | -77.4 | 156 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 190 | Y | 30.4 | Very low | 31.5 | Very low | 227 Ų | 227 | 137.5 Ų | 137.5 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -10.7 | 128.2 | 157 | -51.6 | -90.7 | 0 | 0 | 0 | 117.8 | ||||
| 191 | L | 28.7 | Very low | 31.2 | Very low | 177 Ų | 177 | 135.1 Ų | 135.1 | 93% | 0.927 | 81% | 0.805 | S | S | * | * | -155.9 | 142 | 122.4 | -156.7 | 63.4 | 0 | 0 | 0 | 110.3 | |||||
| 192 | G | 25.1 | Very low | 31 | Very low | 71 Ų | 71 | 131.4 Ų | 131.4 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | trans | -98.5 | 172 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 193 | G | 27.9 | Very low | 30.8 | Very low | 71 Ų | 71 | 132.4 Ų | 132.4 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | trans | 99.5 | 135.6 | 150.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 194 | T | 28 | Very low | 30.8 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | 82.4 | 79.2 | 155.7 | -7.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 195 | L | 31 | Very low | 31.2 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | 34.9 | 125.8 | 117.6 | -49.9 | 171.4 | 0 | 0 | 0 | 119.3 | |||||
| 196 | L | 30.6 | Very low | 32.1 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | 159.2 | 114.4 | 102.7 | -82.9 | -179.4 | 0 | 0 | 0 | 112.5 | |||||
| 197 | A | 30.2 | Very low | 33 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -167 | 113.9 | 143.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 198 | N | 32.2 | Very low | 33.6 | Very low | 159 Ų | 159 | 128.2 Ų | 128.2 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | -46.2 | 148.5 | -176.3 | -57.1 | -21.9 | 0 | 0 | 0 | 115.6 | ||||
| 199 | G | 24.9 | Very low | 35.2 | Very low | 68 Ų | 68 | 118.7 Ų | 118.7 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | cis | 126.5 | 109.9 | -0.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 200 | R | 28 | Very low | 37 | Very low | 258 Ų | 258 | 118.3 Ų | 118.3 | 97% | 0.974 | 72% | 0.715 | S | S | * | * | trans | -178.2 | 66 | 146.2 | -101.9 | 168.2 | -172.3 | -166.8 | 2.7 | 111.2 | ||||
| 201 | A | 29.5 | Very low | 38.7 | Very low | 101 Ų | 101 | 107.5 Ų | 107.5 | 84% | 0.835 | 67% | 0.672 | S | S | * | * | trans | -132.1 | 95.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | G203 | A201-G203 PolarHBondContact O-N 3.28Å; A201-G203 VanDerWaalsContact O-N 3.14Å | ||
| 202 | G | 28.3 | Very low | 40.4 | Very low | 79 Ų | 79 | 102.1 Ų | 102.1 | 81% | 0.814 | 64% | 0.642 | S | S | * | * | trans | -75.8 | 97.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | R204 | G202-R204 PolarHBondContact O-N 3.05Š| ||
| 203 | G | 30.9 | Very low | 42.4 | Very low | 80 Ų | 80 | 98.8 Ų | 98.8 | 83% | 0.825 | 61% | 0.608 | S | S | * | * | trans | -60.5 | 101.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A201 G205 | A201-G203 PolarHBondContact O-N 3.28Å; A201-G203 VanDerWaalsContact O-N 3.14Å; G203-G205 PolarHBondContact O-N 3.36Å | ||
| 204 | R | 34.2 | Very low | 43.3 | Very low | 235 Ų | 235 | 98.8 Ų | 98.8 | 89% | 0.887 | 59% | 0.591 | S | S | * | * | trans | -65.5 | 119.9 | 165.3 | -77.6 | -179.1 | 168.2 | 177.8 | -4.1 | 107.5 | G202 V206 | G202-R204 PolarHBondContact O-N 3.05Å; R204-V206 PolarHBondContact O-N 2.83Å | ||
| 205 | G | 42 | Very low | 44.3 | Very low | 58 Ų | 58 | 98.8 Ų | 98.8 | 60% | 0.598 | 58% | 0.577 | S | S | * | * | trans | -54.6 | 124 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | G203 V207 | G203-G205 PolarHBondContact O-N 3.36Å; G205-V207 PolarHBondContact O-N 3.39Å; G205-V207 VanDerWaalsContact O-N 3.11Å | ||
| 206 | V | 47.3 | Very low | 45.2 | Very low | 108 Ų | 108 | 95.9 Ų | 95.9 | 66% | 0.655 | 57% | 0.567 | S | S | * | * | trans | -73 | 106.9 | -179.4 | -176.1 | 0 | 0 | 0 | 0 | 106.9 | R204 L208 | R204-V206 PolarHBondContact O-N 2.83Å; V206-L208 HydrophobicContact CG1-CD2 4.29Å; V206-L208 PolarHBondContact O-N 2.93Å | ||
| 207 | V | 56.1 | Low | 46.5 | Very low | 55 Ų | 55 | 90.2 Ų | 90.2 | 33% | 0.333 | 54% | 0.536 | S | S | . | . | trans | -64.1 | 109.7 | 168.8 | 175.4 | 0 | 0 | 0 | 0 | 106.6 | G205 L210 E234 | G205-V207 PolarHBondContact O-N 3.39Å; G205-V207 VanDerWaalsContact O-N 3.11Å; V207-L210 HydrophobicContact CG1-CD1 3.91Å; V207-E234 HydrophobicContact CG1-CB 3.76Å; V207-E234 HydrophobicContact CG1-CG 3.89Å; V207-E234 HydrophobicContact CG2-CB 4.06Å; V207-E234 HydrophobicContact CG2-CG 4.13Å | ||
| 208 | L | 59.9 | Low | 47.4 | Very low | 71 Ų | 71 | 90.5 Ų | 90.5 | 37% | 0.372 | 53% | 0.531 | S | S | . | . | trans | -72.7 | -47.8 | -177.4 | -60.3 | 177.9 | 0 | 0 | 0 | 110 | V206 V235 I236 | V206-L208 HydrophobicContact CG1-CD2 4.29Å; V206-L208 PolarHBondContact O-N 2.93Å; L208-V235 WeakPolarHBondContact CB-O 3.29Å; L208-V235 PolarHBondContact N-O 2.97Å; L208-I236 VanDerWaalsContact CD1-O 3.25Å; L208-I236 WeakPolarHBondContact CD1-O 3.5Å; L208-I236 WeakPolarHBondContact CG-O 3.34Å | ||
| 209 | H | 65.3 | Low | 48.7 | Very low | 52 Ų | 52 | 84 Ų | 84 | 24% | 0.241 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 150.4 | -175.2 | -62 | 65.5 | 0 | 0 | 0 | 109.6 | V235 K238 V265 | H209-V235 HydrophobicContact CB-CB 4.12Å; H209-V235 HydrophobicContact CB-CG2 4.05Å; H209-V235 PolarHBondContact O-N 2.83Å; H209-K238 PolarHBondContact CE1-NZ 2.68Å; H209-K238 PolarHBondContact ND1-NZ 3.4Å; H209-K238 PolarHBondContact NE2-NZ 3.15Å; H209-V265 HydrophobicContact CB-CG1 4.32Å |
| 210 | L | 65.7 | Low | 49.6 | Very low | 76 Ų | 76 | 88.1 Ų | 88.1 | 40% | 0.398 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 143 | 159.6 | -85.4 | 73.6 | 0 | 0 | 0 | 108.6 | V207 I232 M233 L266 | V207-L210 HydrophobicContact CG1-CD1 3.91Å; L210-I232 HydrophobicContact CD2-CG2 4.07Å; L210-M233 CarbonylContact C-O 3.37Å; L210-M233 WeakPolarHBondContact CA-O 3.06Å; L210-L266 HydrophobicContact CB-CB 4.3Å; L210-L266 PolarHBondContact O-N 3.06Å |
| 211 | V | 66.3 | Low | 50.5 | Low | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 148.4 | 176.6 | -69.9 | 0 | 0 | 0 | 0 | 110.7 | I232 M233 V235 W246 V263 V264 V265 | V211-I232 CarbonylContact O-C 3.57Å; V211-I232 WeakPolarHBondContact O-CA 3.2Å; V211-M233 HydrophobicContact CG2-CB 3.84Å; V211-M233 HydrophobicContact CG2-CG 4.13Å; V211-M233 WeakPolarHBondContact CG2-O 3.48Å; V211-M233 PolarHBondContact N-O 2.9Å; V211-M233 PolarHBondContact O-N 2.82Å; V211-V235 HydrophobicContact CB-CG2 4.33Å; V211-V235 HydrophobicContact CG1-CG2 3.49Å; V211-V235 VanDerWaalsContact CG1-CG2 3.49Å; V211-V235 HydrophobicContact CG2-CG2 3.9Å; V211-W246 HydrophobicContact CG1-CE3 4.15Å; V211-W246 HydrophobicContact CG1-CZ3 3.87Å; V211-V263 HydrophobicContact CB-CB 4.03Å; V211-V263 HydrophobicContact CB-CG1 4.44Å; V211-V263 HydrophobicContact CB-CG2 4.45Å; V211-V263 HydrophobicContact CG1-CB 4.48Å; V211-V263 HydrophobicContact CG1-CG2 4.42Å; V211-V263 HydrophobicContact CG2-CB 4.31Å; V211-V263 HydrophobicContact CG2-CG1 4.24Å; V211-V264 CarbonylContact C-O 3.56Å; V211-V264 WeakPolarHBondContact CA-O 3.32Å; V211-V265 HydrophobicContact CG1-CG2 4Å |
| 212 | Q | 64.4 | Low | 51.4 | Low | 64 Ų | 64 | 83.2 Ų | 83.2 | 30% | 0.299 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 135.4 | 170.9 | -178.1 | 170.1 | 42.3 | 0 | 0 | 110 | G230 E231 I232 V263 V264 L266 | Q212-G230 PolarHBondContact NE2-O 2.86Å; Q212-G230 VanDerWaalsContact NE2-O 3.13Å; Q212-E231 WeakPolarHBondContact CA-O 3.01Å; Q212-I232 HydrophobicContact CB-CG1 4.47Å; Q212-I232 HydrophobicContact CG-CG1 4.47Å; Q212-V263 CarbonylContact O-C 3.56Å; Q212-V263 VanDerWaalsContact O-CA 3.31Å; Q212-V263 WeakPolarHBondContact O-CA 3.35Å; Q212-V264 HydrophobicContact CB-CG1 4.02Å; Q212-V264 PolarHBondContact N-O 2.92Å; Q212-V264 PolarHBondContact O-N 2.99Å; Q212-L266 HydrophobicContact CB-CD1 3.87Å; Q212-L266 HydrophobicContact CB-CD2 4.25Å; Q212-L266 HydrophobicContact CB-CG 3.92Å |
| 213 | T | 68.2 | Low | 52.7 | Low | 2 Ų | 2 | 85.7 Ų | 85.7 | 1% | 0.012 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 132.9 | 177.8 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | F227 E228 G230 E231 M233 Y262 V263 | T213-F227 HydrophobicContact CG2-CB 4.06Å; T213-F227 HydrophobicContact CG2-CD1 4.41Å; T213-F227 HydrophobicContact CG2-CD2 3.2Å; T213-F227 HydrophobicContact CG2-CE2 3.6Å; T213-F227 HydrophobicContact CG2-CG 3.66Å; T213-F227 HydrophobicContact CG2-CZ 4.39Å; T213-E228 PolarHBondContact OG1-O 3.02Å; T213-G230 WeakPolarHBondContact O-CA 3.22Å; T213-G230 PolarHBondContact O-N 2.99Å; T213-G230 PolarHBondContact OG1-N 2.91Å; T213-E231 PolarHBondContact N-O 3.42Å; T213-E231 PolarHBondContact OG1-N 2.82Å; T213-E231 PolarHBondContact OG1-O 2.9Å; T213-M233 HydrophobicContact CG2-CG 4.01Å; T213-M233 HydrophobicContact CG2-SD 3.54Å; T213-M233 VanDerWaalsContact CG2-SD 3.54Å; T213-Y262 CarbonylContact C-O 3.53Å; T213-Y262 WeakPolarHBondContact CA-O 3.48Å; T213-V263 HydrophobicContact CG2-CG1 3.95Å |
| 214 | L | 46.5 | Very low | 54.4 | Low | 71 Ų | 71 | 84.3 Ų | 84.3 | 37% | 0.372 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -88.9 | -23.9 | -179.4 | -64.1 | 177.3 | 0 | 0 | 0 | 112.6 | K229 Y262 V264 | L214-K229 WeakPolarHBondContact O-CD 3.42Å; L214-K229 VanDerWaalsContact O-CE 3.28Å; L214-K229 WeakPolarHBondContact O-CE 3.2Å; L214-K229 WeakPolarHBondContact O-CG 3.3Å; L214-Y262 PolarHBondContact N-O 2.98Å; L214-V264 HydrophobicContact CD1-CB 4.41Å; L214-V264 HydrophobicContact CD2-CB 4.17Å; L214-V264 HydrophobicContact CD2-CG1 3.78Å; L214-V264 HydrophobicContact CG-CB 4.39Å; L214-V264 HydrophobicContact CG-CG1 4.36Å |
| 215 | Y | 49 | Very low | 56.1 | Low | 130 Ų | 130 | 73.4 Ų | 73.4 | 51% | 0.51 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -139.7 | 153.7 | -175.2 | -53.8 | -74.7 | 0 | 0 | 0 | 109.5 | F227 Y262 | Y215-F227 WeakPolarHBondContact O-CE2 3.35Å; Y215-Y262 HydrophobicContact CD2-CD1 4.34Å |
| 216 | P | 49.6 | Very low | 57.3 | Low | 87 Ų | 87 | 74 Ų | 74 | 57% | 0.565 | 40% | 0.397 | S | S | * | . | trans | -74.4 | 145.8 | 170.8 | 33.5 | -30.6 | 0 | 0 | 0 | 109.5 | ||||
| 217 | F | 58.7 | Low | 58.5 | Low | 38 Ų | 38 | 69.1 Ų | 69.1 | 17% | 0.167 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -138.8 | 121.2 | -179.7 | -176.3 | -104.8 | 0 | 0 | 0 | 110.2 | E224 L225 N226 F227 W245 P259 Y262 | F217-E224 HydrophobicContact CE1-CB 4.43Å; F217-E224 WeakPolarHBondContact CZ-OE2 3.32Å; F217-L225 WeakPolarHBondContact CD1-O 3.27Å; F217-N226 WeakPolarHBondContact O-CA 3.34Å; F217-F227 HydrophobicContact CB-CD1 4.09Å; F217-F227 HydrophobicContact CB-CD2 3.74Å; F217-F227 HydrophobicContact CB-CE1 3.64Å; F217-F227 HydrophobicContact CB-CE2 3.31Å; F217-F227 HydrophobicContact CB-CG 4.13Å; F217-F227 HydrophobicContact CB-CZ 3.25Å; F217-F227 HydrophobicContact CD1-CD1 4.19Å; F217-F227 AromaticContact CD1-CE1 3.59Å; F217-F227 HydrophobicContact CD1-CE1 3.59Å; F217-F227 AromaticContact CD1-CZ 3.95Å; F217-F227 HydrophobicContact CD1-CZ 3.95Å; F217-F227 AromaticContact CG-CE1 3.87Å; F217-F227 HydrophobicContact CG-CE1 3.87Å; F217-F227 HydrophobicContact CG-CE2 4.29Å; F217-F227 AromaticContact CG-CZ 3.74Å; F217-F227 HydrophobicContact CG-CZ 3.74Å; F217-F227 PolarHBondContact N-O 2.77Å; F217-F227 PolarHBondContact O-N 2.82Å; F217-W245 HydrophobicContact CZ-CH2 4.41Å; F217-P259 HydrophobicContact CE2-CG 4.32Å; F217-P259 HydrophobicContact CZ-CG 4.3Å; F217-Y262 HydrophobicContact CB-CD1 4.35Å; F217-Y262 HydrophobicContact CD2-CD1 4.29Å; F217-Y262 HydrophobicContact CD2-CE1 4.12Å |
| 218 | S | 48.6 | Very low | 58.8 | Low | 108 Ų | 108 | 73.3 Ų | 73.3 | 76% | 0.755 | 38% | 0.383 | S | S | * | . | trans | -121.6 | 115.7 | 177.9 | 57.7 | 0 | 0 | 0 | 0 | 109.3 | N226 | S218-N226 VanDerWaalsContact CA-OD1 3.24Å; S218-N226 WeakPolarHBondContact CA-OD1 3.29Å | ||
| 219 | S | 59.2 | Low | 58.3 | Low | 24 Ų | 24 | 77.1 Ų | 77.1 | 17% | 0.168 | 40% | 0.396 | C | S | . | . | trans | -124.5 | 148.8 | -179.2 | -163.8 | 0 | 0 | 0 | 0 | 111.4 | T221 E224 N226 | S219-T221 PolarHBondContact OG-OG1 2.72Å; S219-E224 VanDerWaalsContact CB-OE2 3.24Å; S219-E224 WeakPolarHBondContact CB-OE2 3.47Å; S219-E224 PolarHBondContact OG-OE2 3.48Å; S219-N226 PolarHBondContact N-OD1 3.19Å; S219-N226 PolarHBondContact O-ND2 2.88Å; S219-N226 PolarHBondContact O-OD1 3.07Å | ||
| 220 | T | 43.2 | Very low | 57.7 | Low | 153 Ų | 153 | 76.1 Ų | 76.1 | 94% | 0.939 | 40% | 0.4 | S | S | * | . | trans | -97.2 | -6.6 | -177.7 | 50.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 221 | T | 46.9 | Very low | 57.7 | Low | 58 Ų | 58 | 73.8 Ų | 73.8 | 36% | 0.356 | 39% | 0.387 | S | S | . | . | trans | -80.9 | 132.9 | 172.9 | 33.2 | 0 | 0 | 0 | 0 | 110.8 | S219 E223 E224 | S219-T221 PolarHBondContact OG-OG1 2.72Å; T221-E223 PolarHBondContact O-N 2.8Å; T221-E224 PolarHBondContact O-N 3.46Å; T221-E224 WeakPolarHBondContact OG1-CB 3.26Å; T221-E224 WeakPolarHBondContact OG1-CG 3.43Å; T221-E224 PolarHBondContact OG1-OE1 2.85Å; T221-E224 PolarHBondContact OG1-OE2 3.18Å | ||
| 222 | E | 49.7 | Very low | 58 | Low | 198 Ų | 198 | 77.6 Ų | 77.6 | 93% | 0.925 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -13.3 | -178.9 | 64.9 | -172.9 | 142.5 | 0 | 0 | 114 | ||
| 223 | E | 54.3 | Low | 58.4 | Low | 132 Ų | 132 | 74.7 Ų | 74.7 | 62% | 0.617 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -17.1 | 177.4 | -57.7 | -177.3 | 123 | 0 | 0 | 112.6 | T221 L257 | T221-E223 PolarHBondContact O-N 2.8Å; E223-L257 PolarHBondContact O-N 2.82Å |
| 224 | E | 67.6 | Low | 58.6 | Low | 51 Ų | 51 | 78 Ų | 78 | 24% | 0.238 | 41% | 0.408 | C | S | . | . | B | Isolated β-bridge | trans | -99.7 | 140.3 | -179.7 | -72.7 | 172.6 | -131 | 0 | 0 | 111.6 | F217 S219 T221 W245 | F217-E224 HydrophobicContact CE1-CB 4.43Å; F217-E224 WeakPolarHBondContact CZ-OE2 3.32Å; S219-E224 VanDerWaalsContact CB-OE2 3.24Å; S219-E224 WeakPolarHBondContact CB-OE2 3.47Å; S219-E224 PolarHBondContact OG-OE2 3.48Å; T221-E224 PolarHBondContact O-N 3.46Å; T221-E224 WeakPolarHBondContact OG1-CB 3.26Å; T221-E224 WeakPolarHBondContact OG1-CG 3.43Å; T221-E224 PolarHBondContact OG1-OE1 2.85Å; T221-E224 PolarHBondContact OG1-OE2 3.18Å; E224-W245 HydrophobicContact CG-CH2 4.31Å; E224-W245 HydrophobicContact CG-CZ3 3.93Å |
| 225 | L | 69.3 | Low | 59.9 | Low | 5 Ų | 5 | 74.6 Ų | 74.6 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -92.3 | 125 | -176.3 | -162.4 | 128.9 | 0 | 0 | 0 | 111.6 | F217 F227 M233 N250 I254 L257 V258 | F217-L225 WeakPolarHBondContact CD1-O 3.27Å; L225-F227 HydrophobicContact CD2-CB 4.36Å; L225-F227 HydrophobicContact CD2-CD1 4.26Å; L225-F227 WeakPolarHBondContact O-CD1 3.44Å; L225-F227 WeakPolarHBondContact O-CE1 3.5Å; L225-M233 HydrophobicContact CD2-CE 3.29Å; L225-M233 HydrophobicContact CD2-SD 4.25Å; L225-N250 HydrophobicContact CD2-CB 4Å; L225-I254 HydrophobicContact CD1-CB 4.14Å; L225-I254 HydrophobicContact CD1-CG2 3.96Å; L225-I254 WeakPolarHBondContact CD1-O 3.21Å; L225-L257 PolarHBondContact N-O 3.44Å; L225-V258 HydrophobicContact CB-CG2 3.9Å; L225-V258 HydrophobicContact CD2-CG2 4.36Å |
| 226 | N | 67.7 | Low | 60.8 | Low | 71 Ų | 71 | 70.6 Ų | 70.6 | 38% | 0.38 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 130.7 | 174.2 | -75.7 | -106 | 0 | 0 | 0 | 110.5 | F217 S218 S219 | F217-N226 WeakPolarHBondContact O-CA 3.34Å; S218-N226 VanDerWaalsContact CA-OD1 3.24Å; S218-N226 WeakPolarHBondContact CA-OD1 3.29Å; S219-N226 PolarHBondContact N-OD1 3.19Å; S219-N226 PolarHBondContact O-ND2 2.88Å; S219-N226 PolarHBondContact O-OD1 3.07Å |
| 227 | F | 71.9 | Confident | 61.4 | Low | 6 Ų | 6 | 70.5 Ų | 70.5 | 3% | 0.026 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -147.9 | 151.5 | -176.6 | 54.6 | -100.4 | 0 | 0 | 0 | 113.7 | T213 Y215 F217 L225 E231 M233 V258 Y262 | T213-F227 HydrophobicContact CG2-CB 4.06Å; T213-F227 HydrophobicContact CG2-CD1 4.41Å; T213-F227 HydrophobicContact CG2-CD2 3.2Å; T213-F227 HydrophobicContact CG2-CE2 3.6Å; T213-F227 HydrophobicContact CG2-CG 3.66Å; T213-F227 HydrophobicContact CG2-CZ 4.39Å; Y215-F227 WeakPolarHBondContact O-CE2 3.35Å; F217-F227 HydrophobicContact CB-CD1 4.09Å; F217-F227 HydrophobicContact CB-CD2 3.74Å; F217-F227 HydrophobicContact CB-CE1 3.64Å; F217-F227 HydrophobicContact CB-CE2 3.31Å; F217-F227 HydrophobicContact CB-CG 4.13Å; F217-F227 HydrophobicContact CB-CZ 3.25Å; F217-F227 HydrophobicContact CD1-CD1 4.19Å; F217-F227 AromaticContact CD1-CE1 3.59Å; F217-F227 HydrophobicContact CD1-CE1 3.59Å; F217-F227 AromaticContact CD1-CZ 3.95Å; F217-F227 HydrophobicContact CD1-CZ 3.95Å; F217-F227 AromaticContact CG-CE1 3.87Å; F217-F227 HydrophobicContact CG-CE1 3.87Å; F217-F227 HydrophobicContact CG-CE2 4.29Å; F217-F227 AromaticContact CG-CZ 3.74Å; F217-F227 HydrophobicContact CG-CZ 3.74Å; F217-F227 PolarHBondContact N-O 2.77Å; F217-F227 PolarHBondContact O-N 2.82Å; L225-F227 HydrophobicContact CD2-CB 4.36Å; L225-F227 HydrophobicContact CD2-CD1 4.26Å; L225-F227 WeakPolarHBondContact O-CD1 3.44Å; L225-F227 WeakPolarHBondContact O-CE1 3.5Å; F227-E231 WeakPolarHBondContact CA-OE2 3.23Å; F227-M233 HydrophobicContact CB-CE 3.75Å; F227-M233 HydrophobicContact CB-SD 4.06Å; F227-M233 HydrophobicContact CD1-SD 4.15Å; F227-M233 HydrophobicContact CG-CE 4.44Å; F227-M233 HydrophobicContact CG-SD 4.15Å; F227-V258 HydrophobicContact CD1-CG1 4.35Å; F227-V258 HydrophobicContact CD1-CG2 3.97Å; F227-V258 HydrophobicContact CE1-CB 4.11Å; F227-V258 HydrophobicContact CE1-CG1 3.56Å; F227-V258 HydrophobicContact CE1-CG2 3.76Å; F227-V258 HydrophobicContact CZ-CG1 3.86Å; F227-Y262 HydrophobicContact CE2-CD1 4.38Å; F227-Y262 HydrophobicContact CZ-CD1 4.38Å |
| 228 | E | 62.5 | Low | 61.8 | Low | 143 Ų | 143 | 72.5 Ų | 72.5 | 67% | 0.668 | 38% | 0.378 | S | S | * | . | trans | -94.8 | 162.9 | 175.4 | -65.8 | -170.4 | 117.5 | 0 | 0 | 111.7 | T213 G230 E231 | T213-E228 PolarHBondContact OG1-O 3.02Å; E228-G230 PolarHBondContact O-N 3.22Å; E228-E231 PolarHBondContact N-OE2 3.13Å; E228-E231 VanDerWaalsContact N-OE2 3.13Å; E228-E231 WeakPolarHBondContact O-CB 3.35Å; E228-E231 PolarHBondContact O-N 3.07Å | ||
| 229 | K | 50.8 | Low | 62.1 | Low | 150 Ų | 150 | 68.9 Ų | 68.9 | 65% | 0.652 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 128.7 | 177.2 | 176.7 | 172.8 | 179.7 | -176.4 | 0 | 111.2 | L214 E231 | L214-K229 WeakPolarHBondContact O-CD 3.42Å; L214-K229 VanDerWaalsContact O-CE 3.28Å; L214-K229 WeakPolarHBondContact O-CE 3.2Å; L214-K229 WeakPolarHBondContact O-CG 3.3Å; K229-E231 VanDerWaalsContact C-N 3.33Å |
| 230 | G | 51.2 | Low | 61.1 | Low | 31 Ų | 31 | 76.9 Ų | 76.9 | 32% | 0.32 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q212 T213 E228 | Q212-G230 PolarHBondContact NE2-O 2.86Å; Q212-G230 VanDerWaalsContact NE2-O 3.13Å; T213-G230 WeakPolarHBondContact O-CA 3.22Å; T213-G230 PolarHBondContact O-N 2.99Å; T213-G230 PolarHBondContact OG1-N 2.91Å; E228-G230 PolarHBondContact O-N 3.22Å |
| 231 | E | 66.1 | Low | 61 | Low | 27 Ų | 27 | 76.1 Ų | 76.1 | 13% | 0.126 | 38% | 0.377 | C | S | . | . | trans | -63.5 | 139.2 | 173 | -170.2 | 170.1 | -176.6 | 0 | 0 | 110.4 | Q212 T213 F227 E228 K229 M233 R252 | Q212-E231 WeakPolarHBondContact CA-O 3.01Å; T213-E231 PolarHBondContact N-O 3.42Å; T213-E231 PolarHBondContact OG1-N 2.82Å; T213-E231 PolarHBondContact OG1-O 2.9Å; F227-E231 WeakPolarHBondContact CA-OE2 3.23Å; E228-E231 PolarHBondContact N-OE2 3.13Å; E228-E231 VanDerWaalsContact N-OE2 3.13Å; E228-E231 WeakPolarHBondContact O-CB 3.35Å; E228-E231 PolarHBondContact O-N 3.07Å; K229-E231 VanDerWaalsContact C-N 3.33Å; E231-M233 HydrophobicContact CG-CE 4.28Å; E231-R252 IonicContact OE1-NH2 2.76Å; E231-R252 IonicContact OE2-NH2 3.71Å | ||
| 232 | I | 72.3 | Confident | 61.1 | Low | 81 Ų | 81 | 77.3 Ų | 77.3 | 42% | 0.415 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 134 | 179.7 | -59.5 | 175.5 | 0 | 0 | 0 | 109.3 | L210 V211 Q212 L266 | L210-I232 HydrophobicContact CD2-CG2 4.07Å; V211-I232 CarbonylContact O-C 3.57Å; V211-I232 WeakPolarHBondContact O-CA 3.2Å; Q212-I232 HydrophobicContact CB-CG1 4.47Å; Q212-I232 HydrophobicContact CG-CG1 4.47Å; I232-L266 HydrophobicContact CD1-CD1 3.81Å; I232-L266 HydrophobicContact CG1-CD1 3.97Å; I232-L266 HydrophobicContact CG2-CD1 4.18Å |
| 233 | M | 73.7 | Confident | 61.4 | Low | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 152.3 | -171.2 | -19.4 | -158.7 | 80.7 | 0 | 0 | 111.1 | L210 V211 T213 L225 F227 E231 C248 K249 N250 V258 | L210-M233 CarbonylContact C-O 3.37Å; L210-M233 WeakPolarHBondContact CA-O 3.06Å; V211-M233 HydrophobicContact CG2-CB 3.84Å; V211-M233 HydrophobicContact CG2-CG 4.13Å; V211-M233 WeakPolarHBondContact CG2-O 3.48Å; V211-M233 PolarHBondContact N-O 2.9Å; V211-M233 PolarHBondContact O-N 2.82Å; T213-M233 HydrophobicContact CG2-CG 4.01Å; T213-M233 HydrophobicContact CG2-SD 3.54Å; T213-M233 VanDerWaalsContact CG2-SD 3.54Å; L225-M233 HydrophobicContact CD2-CE 3.29Å; L225-M233 HydrophobicContact CD2-SD 4.25Å; F227-M233 HydrophobicContact CB-CE 3.75Å; F227-M233 HydrophobicContact CB-SD 4.06Å; F227-M233 HydrophobicContact CD1-SD 4.15Å; F227-M233 HydrophobicContact CG-CE 4.44Å; F227-M233 HydrophobicContact CG-SD 4.15Å; E231-M233 HydrophobicContact CG-CE 4.28Å; M233-C248 HydrophobicContact CB-CB 4.28Å; M233-K249 CarbonylContact C-O 3.48Å; M233-K249 WeakPolarHBondContact CA-O 3.38Å; M233-K249 WeakPolarHBondContact CB-O 3.42Å; M233-N250 HydrophobicContact CE-CB 3.47Å; M233-N250 VanDerWaalsContact CE-CB 3.47Å; M233-V258 HydrophobicContact SD-CG2 4.26Å |
| 234 | E | 71 | Confident | 61.6 | Low | 71 Ų | 71 | 69 Ų | 69 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 113 | 177.6 | -66.3 | -177.5 | 149.8 | 0 | 0 | 109.7 | V207 I236 C248 K249 | V207-E234 HydrophobicContact CG1-CB 3.76Å; V207-E234 HydrophobicContact CG1-CG 3.89Å; V207-E234 HydrophobicContact CG2-CB 4.06Å; V207-E234 HydrophobicContact CG2-CG 4.13Å; E234-I236 PolarHBondContact O-N 3.23Å; E234-C248 CarbonylContact O-C 3.55Å; E234-C248 WeakPolarHBondContact O-CA 3.49Å; E234-K249 HydrophobicContact CB-CB 4.36Å; E234-K249 PolarHBondContact N-O 2.93Å; E234-K249 PolarHBondContact O-N 3.38Å |
| 235 | V | 73.8 | Confident | 61.5 | Low | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 117.3 | 169.6 | -176.1 | 0 | 0 | 0 | 0 | 107.9 | L208 H209 V211 K238 W246 | L208-V235 WeakPolarHBondContact CB-O 3.29Å; L208-V235 PolarHBondContact N-O 2.97Å; H209-V235 HydrophobicContact CB-CB 4.12Å; H209-V235 HydrophobicContact CB-CG2 4.05Å; H209-V235 PolarHBondContact O-N 2.83Å; V211-V235 HydrophobicContact CB-CG2 4.33Å; V211-V235 HydrophobicContact CG1-CG2 3.49Å; V211-V235 VanDerWaalsContact CG1-CG2 3.49Å; V211-V235 HydrophobicContact CG2-CG2 3.9Å; V235-K238 HydrophobicContact CG1-CG 4.09Å; V235-W246 HydrophobicContact CG1-CB 4.31Å; V235-W246 HydrophobicContact CG1-CE3 4.48Å; V235-W246 HydrophobicContact CG2-CE3 3.8Å; V235-W246 HydrophobicContact CG2-CZ3 4.37Å |
| 236 | I | 69.1 | Low | 61.7 | Low | 46 Ų | 46 | 71 Ų | 71 | 24% | 0.236 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -35.5 | 176.1 | -59.8 | 173.7 | 0 | 0 | 0 | 110.5 | L208 E234 R247 K249 V255 | L208-I236 VanDerWaalsContact CD1-O 3.25Å; L208-I236 WeakPolarHBondContact CD1-O 3.5Å; L208-I236 WeakPolarHBondContact CG-O 3.34Å; E234-I236 PolarHBondContact O-N 3.23Å; I236-R247 PolarHBondContact N-O 3.17Å; I236-K249 HydrophobicContact CD1-CB 3.63Å; I236-K249 HydrophobicContact CD1-CD 3.89Å; I236-K249 HydrophobicContact CD1-CG 4.34Å; I236-K249 HydrophobicContact CG1-CB 4.17Å; I236-V255 HydrophobicContact CD1-CG1 4.2Å; I236-V255 HydrophobicContact CD1-CG2 3.92Å |
| 237 | E | 62.8 | Low | 61.7 | Low | 86 Ų | 86 | 72.8 Ų | 72.8 | 40% | 0.402 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 140.3 | -171.2 | -164 | 178.8 | 171.1 | 0 | 0 | 110.8 | R247 | E237-R247 HydrophobicContact CB-CB 3.9Å; E237-R247 PolarHBondContact N-O 2.95Å; E237-R247 WeakPolarHBondContact O-CB 3.46Å; E237-R247 PolarHBondContact O-N 2.81Å; E237-R247 WeakPolarHBondContact OE2-CD 3.42Å; E237-R247 IonicContact OE2-CZ 3.47Å; E237-R247 IonicContact OE2-NE 2.69Å; E237-R247 IonicContact OE2-NH1 2.63Å; E237-R247 PolarHBondContact OE2-NH1 2.83Å |
| 238 | K | 67.1 | Low | 61.9 | Low | 80 Ų | 80 | 72.5 Ų | 72.5 | 35% | 0.348 | 36% | 0.355 | S | S | . | . | trans | -113.7 | 97.7 | 170.8 | -64.8 | 178.4 | -174.9 | 174 | 0 | 106.2 | H209 V235 E240 W246 | H209-K238 PolarHBondContact CE1-NZ 2.68Å; H209-K238 PolarHBondContact ND1-NZ 3.4Å; H209-K238 PolarHBondContact NE2-NZ 3.15Å; V235-K238 HydrophobicContact CG1-CG 4.09Å; K238-E240 PolarHBondContact O-N 3.46Å; K238-W246 HydrophobicContact CG-CD2 4.46Å; K238-W246 HydrophobicContact CG-CG 4.32Å | ||
| 239 | P | 53.8 | Low | 62.5 | Low | 32 Ų | 32 | 69 Ų | 69 | 21% | 0.208 | 34% | 0.337 | C | S | . | . | trans | -64.4 | 121.8 | -178.5 | 25.4 | -32.5 | 0 | 0 | 0 | 109.9 | N241 D242 W245 | P239-N241 PolarHBondContact O-N 2.82Å; P239-N241 VanDerWaalsContact O-N 3.15Å; P239-D242 HydrophobicContact CG-CB 4.38Å; P239-D242 CarbonylContact O-C 3.37Å; P239-D242 PolarHBondContact O-N 3.33Å; P239-W245 VanDerWaalsContact CD-O 3.27Å; P239-W245 WeakPolarHBondContact CD-O 3.41Å; P239-W245 WeakPolarHBondContact CG-O 3.2Å | ||
| 240 | E | 39.6 | Very low | 63.4 | Low | 191 Ų | 191 | 62.2 Ų | 62.2 | 89% | 0.893 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.6 | 177.7 | -72.5 | 178.6 | 83.9 | 0 | 0 | 112.7 | K238 | K238-E240 PolarHBondContact O-N 3.46Š|
| 241 | N | 39.3 | Very low | 64.1 | Low | 137 Ų | 137 | 65.4 Ų | 65.4 | 73% | 0.733 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -24.8 | 175.9 | -60.2 | -19.8 | 0 | 0 | 0 | 113.6 | P239 | P239-N241 PolarHBondContact O-N 2.82Å; P239-N241 VanDerWaalsContact O-N 3.15Å |
| 242 | D | 50.1 | Low | 63.9 | Low | 83 Ų | 83 | 71.7 Ų | 71.7 | 44% | 0.444 | 35% | 0.348 | S | S | . | . | trans | -143.6 | 73.5 | -174.8 | -98.7 | -59.4 | 0 | 0 | 0 | 110.9 | P239 E244 W245 | P239-D242 HydrophobicContact CG-CB 4.38Å; P239-D242 CarbonylContact O-C 3.37Å; P239-D242 PolarHBondContact O-N 3.33Å; D242-E244 PolarHBondContact O-N 2.69Å; D242-W245 PolarHBondContact O-N 2.8Å; D242-W245 VanDerWaalsContact O-N 3.07Å | ||
| 243 | P | 56.7 | Low | 63.4 | Low | 82 Ų | 82 | 69.7 Ų | 69.7 | 53% | 0.532 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -13 | -170.6 | 25.6 | -35.6 | 0 | 0 | 0 | 115.1 | W246 | P243-W246 PolarHBondContact O-NE1 3.13Š|
| 244 | E | 58 | Low | 63 | Low | 73 Ų | 73 | 74.3 Ų | 74.3 | 34% | 0.341 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -6.5 | 177.6 | -68.4 | -63 | 110.2 | 0 | 0 | 113.9 | D242 K260 N261 | D242-E244 PolarHBondContact O-N 2.69Å; E244-K260 VanDerWaalsContact O-CB 3.28Å; E244-K260 WeakPolarHBondContact O-CB 3.31Å; E244-K260 PolarHBondContact O-N 3.28Å; E244-K260 WeakPolarHBondContact OE1-CD 3.32Å; E244-K260 IonicContact OE1-NZ 2.66Å; E244-K260 PolarHBondContact OE1-NZ 3.47Å; E244-N261 PolarHBondContact OE2-ND2 2.63Å |
| 245 | W | 64.2 | Low | 63 | Low | 72 Ų | 72 | 73.7 Ų | 73.7 | 27% | 0.273 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 115.2 | 176.5 | -71.6 | 88.1 | 0 | 0 | 0 | 110.7 | F217 E224 P239 D242 L257 P259 | F217-W245 HydrophobicContact CZ-CH2 4.41Å; E224-W245 HydrophobicContact CG-CH2 4.31Å; E224-W245 HydrophobicContact CG-CZ3 3.93Å; P239-W245 VanDerWaalsContact CD-O 3.27Å; P239-W245 WeakPolarHBondContact CD-O 3.41Å; P239-W245 WeakPolarHBondContact CG-O 3.2Å; D242-W245 PolarHBondContact O-N 2.8Å; D242-W245 VanDerWaalsContact O-N 3.07Å; W245-L257 HydrophobicContact CE3-CB 3.86Å; W245-L257 HydrophobicContact CZ3-CB 4.45Å; W245-P259 HydrophobicContact CE3-CB 4.48Å; W245-P259 HydrophobicContact CE3-CG 3.94Å; W245-P259 HydrophobicContact CH2-CG 3.75Å; W245-P259 HydrophobicContact CZ2-CG 4.27Å; W245-P259 HydrophobicContact CZ3-CG 3.55Å |
| 246 | W | 73.4 | Confident | 62.9 | Low | 28 Ų | 28 | 74 Ų | 74 | 11% | 0.106 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 139.1 | -178.3 | -66 | -2.9 | 0 | 0 | 0 | 110.6 | V211 V235 K238 P243 C248 V258 K260 V263 V265 | V211-W246 HydrophobicContact CG1-CE3 4.15Å; V211-W246 HydrophobicContact CG1-CZ3 3.87Å; V235-W246 HydrophobicContact CG1-CB 4.31Å; V235-W246 HydrophobicContact CG1-CE3 4.48Å; V235-W246 HydrophobicContact CG2-CE3 3.8Å; V235-W246 HydrophobicContact CG2-CZ3 4.37Å; K238-W246 HydrophobicContact CG-CD2 4.46Å; K238-W246 HydrophobicContact CG-CG 4.32Å; P243-W246 PolarHBondContact O-NE1 3.13Å; W246-C248 PolarHBondContact O-N 2.78Å; W246-V258 PolarHBondContact N-O 3.33Å; W246-V258 PolarHBondContact O-N 2.83Å; W246-K260 HydrophobicContact CH2-CG 4.27Å; W246-K260 HydrophobicContact CZ2-CD 3.74Å; W246-K260 HydrophobicContact CZ2-CG 3.75Å; W246-V263 HydrophobicContact CE3-CG2 4.25Å; W246-V263 HydrophobicContact CZ3-CG2 4.42Å; W246-V265 HydrophobicContact CH2-CG2 3.9Å; W246-V265 HydrophobicContact CZ3-CG2 3.75Å |
| 247 | R | 68 | Low | 62.7 | Low | 108 Ų | 108 | 74.6 Ų | 74.6 | 41% | 0.408 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 99.8 | 179.4 | -157.7 | 172.6 | 167.6 | -125 | -6.2 | 108.4 | I236 E237 V255 L257 | I236-R247 PolarHBondContact N-O 3.17Å; E237-R247 HydrophobicContact CB-CB 3.9Å; E237-R247 PolarHBondContact N-O 2.95Å; E237-R247 WeakPolarHBondContact O-CB 3.46Å; E237-R247 PolarHBondContact O-N 2.81Å; E237-R247 WeakPolarHBondContact OE2-CD 3.42Å; E237-R247 IonicContact OE2-CZ 3.47Å; E237-R247 IonicContact OE2-NE 2.69Å; E237-R247 IonicContact OE2-NH1 2.63Å; E237-R247 PolarHBondContact OE2-NH1 2.83Å; R247-V255 HydrophobicContact CG-CG1 4.01Å; R247-L257 HydrophobicContact CB-CD2 4.22Å; R247-L257 HydrophobicContact CG-CD2 4.29Å |
| 248 | C | 77 | Confident | 63.1 | Low | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 153.1 | -171.4 | -66.4 | 0 | 0 | 0 | 0 | 111 | M233 E234 W246 V255 G256 V258 | M233-C248 HydrophobicContact CB-CB 4.28Å; E234-C248 CarbonylContact O-C 3.55Å; E234-C248 WeakPolarHBondContact O-CA 3.49Å; W246-C248 PolarHBondContact O-N 2.78Å; C248-V255 WeakPolarHBondContact O-CA 3.45Å; C248-G256 PolarHBondContact N-O 2.79Å; C248-G256 PolarHBondContact O-N 3.2Å; C248-V258 HydrophobicContact CB-CB 4.06Å; C248-V258 HydrophobicContact CB-CG2 3.64Å |
| 249 | K | 74.6 | Confident | 62.9 | Low | 69 Ų | 69 | 67.3 Ų | 67.3 | 30% | 0.3 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 128.1 | 174.9 | -178.9 | 179.8 | 169.5 | -161.5 | 0 | 110.2 | M233 E234 I236 I254 V255 | M233-K249 CarbonylContact C-O 3.48Å; M233-K249 WeakPolarHBondContact CA-O 3.38Å; M233-K249 WeakPolarHBondContact CB-O 3.42Å; E234-K249 HydrophobicContact CB-CB 4.36Å; E234-K249 PolarHBondContact N-O 2.93Å; E234-K249 PolarHBondContact O-N 3.38Å; I236-K249 HydrophobicContact CD1-CB 3.63Å; I236-K249 HydrophobicContact CD1-CD 3.89Å; I236-K249 HydrophobicContact CD1-CG 4.34Å; I236-K249 HydrophobicContact CG1-CB 4.17Å; K249-I254 CarbonylContact C-O 3.55Å; K249-I254 VanDerWaalsContact CA-O 3.23Å; K249-I254 WeakPolarHBondContact CA-O 3.17Å; K249-V255 HydrophobicContact CB-CG2 4.01Å; K249-V255 HydrophobicContact CD-CG2 4.16Å; K249-V255 HydrophobicContact CG-CG2 3.94Å |
| 250 | N | 70.4 | Confident | 63.3 | Low | 7 Ų | 7 | 69.6 Ų | 69.6 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 170.3 | 177.4 | 68.4 | 12.5 | 0 | 0 | 0 | 112.5 | L225 M233 R252 G253 I254 | L225-N250 HydrophobicContact CD2-CB 4Å; M233-N250 HydrophobicContact CE-CB 3.47Å; M233-N250 VanDerWaalsContact CE-CB 3.47Å; N250-R252 PolarHBondContact O-N 3.41Å; N250-R252 VanDerWaalsContact O-N 3.13Å; N250-R252 WeakPolarHBondContact OD1-CA 3.27Å; N250-R252 WeakPolarHBondContact OD1-CB 3.06Å; N250-R252 PolarHBondContact OD1-N 3.35Å; N250-R252 VanDerWaalsContact OD1-N 3.11Å; N250-G253 PolarHBondContact O-N 2.99Å; N250-G253 PolarHBondContact OD1-N 2.85Å; N250-I254 PolarHBondContact N-O 2.93Å; N250-I254 WeakPolarHBondContact OD1-CB 3.28Å; N250-I254 PolarHBondContact OD1-N 2.66Å; N250-I254 PolarHBondContact OD1-O 2.82Å |
| 251 | S | 64.8 | Low | 64.1 | Low | 99 Ų | 99 | 65.8 Ų | 65.8 | 69% | 0.692 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -26.5 | 173.4 | 60.4 | 0 | 0 | 0 | 0 | 113.9 | G253 | S251-G253 VanDerWaalsContact C-N 3.27Å; S251-G253 PolarHBondContact O-N 2.69Å |
| 252 | R | 61.7 | Low | 64.9 | Low | 159 Ų | 159 | 63.6 Ų | 63.6 | 60% | 0.6 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -2.6 | 176.3 | -65.6 | 172.4 | -86.4 | -177.5 | -7.8 | 113.4 | E231 N250 I254 | E231-R252 IonicContact OE1-NH2 2.76Å; E231-R252 IonicContact OE2-NH2 3.71Å; N250-R252 PolarHBondContact O-N 3.41Å; N250-R252 VanDerWaalsContact O-N 3.13Å; N250-R252 WeakPolarHBondContact OD1-CA 3.27Å; N250-R252 WeakPolarHBondContact OD1-CB 3.06Å; N250-R252 PolarHBondContact OD1-N 3.35Å; N250-R252 VanDerWaalsContact OD1-N 3.11Å; R252-I254 VanDerWaalsContact C-N 3.33Å; R252-I254 HydrophobicContact CB-CD1 4.48Å; R252-I254 HydrophobicContact CB-CG1 4.4Å |
| 253 | G | 62.1 | Low | 65.7 | Low | 39 Ų | 39 | 60.3 Ų | 60.3 | 40% | 0.402 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 84.4 | -0.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | N250 S251 | N250-G253 PolarHBondContact O-N 2.99Å; N250-G253 PolarHBondContact OD1-N 2.85Å; S251-G253 VanDerWaalsContact C-N 3.27Å; S251-G253 PolarHBondContact O-N 2.69Å |
| 254 | I | 65.3 | Low | 65.7 | Low | 98 Ų | 98 | 59.4 Ų | 59.4 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | trans | -73.9 | 139.3 | 176.9 | -51.1 | 175.7 | 0 | 0 | 0 | 108.2 | L225 K249 N250 R252 | L225-I254 HydrophobicContact CD1-CB 4.14Å; L225-I254 HydrophobicContact CD1-CG2 3.96Å; L225-I254 WeakPolarHBondContact CD1-O 3.21Å; K249-I254 CarbonylContact C-O 3.55Å; K249-I254 VanDerWaalsContact CA-O 3.23Å; K249-I254 WeakPolarHBondContact CA-O 3.17Å; N250-I254 PolarHBondContact N-O 2.93Å; N250-I254 WeakPolarHBondContact OD1-CB 3.28Å; N250-I254 PolarHBondContact OD1-N 2.66Å; N250-I254 PolarHBondContact OD1-O 2.82Å; R252-I254 VanDerWaalsContact C-N 3.33Å; R252-I254 HydrophobicContact CB-CD1 4.48Å; R252-I254 HydrophobicContact CB-CG1 4.4Å | ||
| 255 | V | 72.1 | Confident | 66.3 | Low | 58 Ų | 58 | 58.8 Ų | 58.8 | 35% | 0.352 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 136.5 | 178.7 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | I236 R247 C248 K249 | I236-V255 HydrophobicContact CD1-CG1 4.2Å; I236-V255 HydrophobicContact CD1-CG2 3.92Å; R247-V255 HydrophobicContact CG-CG1 4.01Å; C248-V255 WeakPolarHBondContact O-CA 3.45Å; K249-V255 HydrophobicContact CB-CG2 4.01Å; K249-V255 HydrophobicContact CD-CG2 4.16Å; K249-V255 HydrophobicContact CG-CG2 3.94Å |
| 256 | G | 70.3 | Confident | 66.2 | Low | 8 Ų | 8 | 58.1 Ų | 58.1 | 8% | 0.082 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.9 | 179.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | C248 | C248-G256 PolarHBondContact N-O 2.79Å; C248-G256 PolarHBondContact O-N 3.2Å |
| 257 | L | 65.6 | Low | 64.9 | Low | 58 Ų | 58 | 60.2 Ų | 60.2 | 30% | 0.304 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 137.4 | 179.6 | -62.4 | 174.2 | 0 | 0 | 0 | 111 | E223 L225 W245 R247 | E223-L257 PolarHBondContact O-N 2.82Å; L225-L257 PolarHBondContact N-O 3.44Å; W245-L257 HydrophobicContact CE3-CB 3.86Å; W245-L257 HydrophobicContact CZ3-CB 4.45Å; R247-L257 HydrophobicContact CB-CD2 4.22Å; R247-L257 HydrophobicContact CG-CD2 4.29Å |
| 258 | V | 71.4 | Confident | 63.4 | Low | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 127.6 | -179.4 | 170.4 | 0 | 0 | 0 | 0 | 109.2 | L225 F227 M233 W246 C248 K260 V263 | L225-V258 HydrophobicContact CB-CG2 3.9Å; L225-V258 HydrophobicContact CD2-CG2 4.36Å; F227-V258 HydrophobicContact CD1-CG1 4.35Å; F227-V258 HydrophobicContact CD1-CG2 3.97Å; F227-V258 HydrophobicContact CE1-CB 4.11Å; F227-V258 HydrophobicContact CE1-CG1 3.56Å; F227-V258 HydrophobicContact CE1-CG2 3.76Å; F227-V258 HydrophobicContact CZ-CG1 3.86Å; M233-V258 HydrophobicContact SD-CG2 4.26Å; W246-V258 PolarHBondContact N-O 3.33Å; W246-V258 PolarHBondContact O-N 2.83Å; C248-V258 HydrophobicContact CB-CB 4.06Å; C248-V258 HydrophobicContact CB-CG2 3.64Å; V258-K260 PolarHBondContact O-N 3.4Å; V258-V263 HydrophobicContact CG1-CG1 3.52Å; V258-V263 HydrophobicContact CG1-CG2 4.39Å |
| 259 | P | 61.8 | Low | 61.3 | Low | 13 Ų | 13 | 74.1 Ų | 74.1 | 8% | 0.084 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 129 | 177.5 | -18 | 27.9 | 0 | 0 | 0 | 111.6 | F217 W245 N261 Y262 | F217-P259 HydrophobicContact CE2-CG 4.32Å; F217-P259 HydrophobicContact CZ-CG 4.3Å; W245-P259 HydrophobicContact CE3-CB 4.48Å; W245-P259 HydrophobicContact CE3-CG 3.94Å; W245-P259 HydrophobicContact CH2-CG 3.75Å; W245-P259 HydrophobicContact CZ2-CG 4.27Å; W245-P259 HydrophobicContact CZ3-CG 3.55Å; P259-N261 PolarHBondContact O-N 3.25Å; P259-Y262 HydrophobicContact CB-CD2 3.85Å; P259-Y262 HydrophobicContact CB-CG 4.32Å; P259-Y262 HydrophobicContact CG-CD2 4.26Å; P259-Y262 HydrophobicContact CG-CG 4.48Å; P259-Y262 WeakPolarHBondContact O-CB 3.49Å; P259-Y262 PolarHBondContact O-N 2.96Å |
| 260 | K | 63.1 | Low | 59.6 | Low | 79 Ų | 79 | 76.6 Ų | 76.6 | 34% | 0.343 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -55.3 | -38.5 | 177.2 | 175.8 | 179.2 | 156.7 | -155.4 | 0 | 112.7 | E244 W246 V258 Y262 V263 | E244-K260 VanDerWaalsContact O-CB 3.28Å; E244-K260 WeakPolarHBondContact O-CB 3.31Å; E244-K260 PolarHBondContact O-N 3.28Å; E244-K260 WeakPolarHBondContact OE1-CD 3.32Å; E244-K260 IonicContact OE1-NZ 2.66Å; E244-K260 PolarHBondContact OE1-NZ 3.47Å; W246-K260 HydrophobicContact CH2-CG 4.27Å; W246-K260 HydrophobicContact CZ2-CD 3.74Å; W246-K260 HydrophobicContact CZ2-CG 3.75Å; V258-K260 PolarHBondContact O-N 3.4Å; K260-Y262 PolarHBondContact O-N 2.96Å; K260-Y262 VanDerWaalsContact O-N 3.17Å; K260-V263 WeakPolarHBondContact O-CG2 3.37Å; K260-V263 PolarHBondContact O-N 3.37Å; K260-V263 VanDerWaalsContact O-O 3.13Å |
| 261 | N | 56.8 | Low | 57.9 | Low | 112 Ų | 112 | 79.1 Ų | 79.1 | 60% | 0.599 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -69.4 | -8.2 | 178.6 | -63.6 | -62.3 | 0 | 0 | 0 | 114.2 | E244 P259 | E244-N261 PolarHBondContact OE2-ND2 2.63Å; P259-N261 PolarHBondContact O-N 3.25Å |
| 262 | Y | 55.5 | Low | 56.7 | Low | 91 Ų | 91 | 80.2 Ų | 80.2 | 36% | 0.357 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -101 | -1.2 | 178 | -80.9 | -117.4 | 0 | 0 | 0 | 112.8 | T213 L214 Y215 F217 F227 P259 K260 | T213-Y262 CarbonylContact C-O 3.53Å; T213-Y262 WeakPolarHBondContact CA-O 3.48Å; L214-Y262 PolarHBondContact N-O 2.98Å; Y215-Y262 HydrophobicContact CD2-CD1 4.34Å; F217-Y262 HydrophobicContact CB-CD1 4.35Å; F217-Y262 HydrophobicContact CD2-CD1 4.29Å; F217-Y262 HydrophobicContact CD2-CE1 4.12Å; F227-Y262 HydrophobicContact CE2-CD1 4.38Å; F227-Y262 HydrophobicContact CZ-CD1 4.38Å; P259-Y262 HydrophobicContact CB-CD2 3.85Å; P259-Y262 HydrophobicContact CB-CG 4.32Å; P259-Y262 HydrophobicContact CG-CD2 4.26Å; P259-Y262 HydrophobicContact CG-CG 4.48Å; P259-Y262 WeakPolarHBondContact O-CB 3.49Å; P259-Y262 PolarHBondContact O-N 2.96Å; K260-Y262 PolarHBondContact O-N 2.96Å; K260-Y262 VanDerWaalsContact O-N 3.17Å |
| 263 | V | 66.9 | Low | 55.7 | Low | 14 Ų | 14 | 78.4 Ų | 78.4 | 9% | 0.085 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 145.8 | -174.4 | -69.4 | 0 | 0 | 0 | 0 | 113.5 | V211 Q212 T213 W246 V258 K260 | V211-V263 HydrophobicContact CB-CB 4.03Å; V211-V263 HydrophobicContact CB-CG1 4.44Å; V211-V263 HydrophobicContact CB-CG2 4.45Å; V211-V263 HydrophobicContact CG1-CB 4.48Å; V211-V263 HydrophobicContact CG1-CG2 4.42Å; V211-V263 HydrophobicContact CG2-CB 4.31Å; V211-V263 HydrophobicContact CG2-CG1 4.24Å; Q212-V263 CarbonylContact O-C 3.56Å; Q212-V263 VanDerWaalsContact O-CA 3.31Å; Q212-V263 WeakPolarHBondContact O-CA 3.35Å; T213-V263 HydrophobicContact CG2-CG1 3.95Å; W246-V263 HydrophobicContact CE3-CG2 4.25Å; W246-V263 HydrophobicContact CZ3-CG2 4.42Å; V258-V263 HydrophobicContact CG1-CG1 3.52Å; V258-V263 HydrophobicContact CG1-CG2 4.39Å; K260-V263 WeakPolarHBondContact O-CG2 3.37Å; K260-V263 PolarHBondContact O-N 3.37Å; K260-V263 VanDerWaalsContact O-O 3.13Å |
| 264 | V | 57.1 | Low | 54.3 | Low | 62 Ų | 62 | 82.2 Ų | 82.2 | 38% | 0.376 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136.4 | 170.8 | 65 | 0 | 0 | 0 | 0 | 110.1 | V211 Q212 L214 L266 | V211-V264 CarbonylContact C-O 3.56Å; V211-V264 WeakPolarHBondContact CA-O 3.32Å; Q212-V264 HydrophobicContact CB-CG1 4.02Å; Q212-V264 PolarHBondContact N-O 2.92Å; Q212-V264 PolarHBondContact O-N 2.99Å; L214-V264 HydrophobicContact CD1-CB 4.41Å; L214-V264 HydrophobicContact CD2-CB 4.17Å; L214-V264 HydrophobicContact CD2-CG1 3.78Å; L214-V264 HydrophobicContact CG-CB 4.39Å; L214-V264 HydrophobicContact CG-CG1 4.36Å; V264-L266 PolarHBondContact O-N 3.48Å |
| 265 | V | 70.1 | Confident | 53 | Low | 61 Ų | 61 | 83.5 Ų | 83.5 | 37% | 0.37 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 121.5 | 176.6 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | H209 V211 W246 | H209-V265 HydrophobicContact CB-CG1 4.32Å; V211-V265 HydrophobicContact CG1-CG2 4Å; W246-V265 HydrophobicContact CH2-CG2 3.9Å; W246-V265 HydrophobicContact CZ3-CG2 3.75Å |
| 266 | L | 62.5 | Low | 51 | Low | 58 Ų | 58 | 87 Ų | 87 | 30% | 0.304 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 124.1 | 167.4 | -67.3 | -177.9 | 0 | 0 | 0 | 108.6 | L210 Q212 I232 V264 | L210-L266 HydrophobicContact CB-CB 4.3Å; L210-L266 PolarHBondContact O-N 3.06Å; Q212-L266 HydrophobicContact CB-CD1 3.87Å; Q212-L266 HydrophobicContact CB-CD2 4.25Å; Q212-L266 HydrophobicContact CB-CG 3.92Å; I232-L266 HydrophobicContact CD1-CD1 3.81Å; I232-L266 HydrophobicContact CG1-CD1 3.97Å; I232-L266 HydrophobicContact CG2-CD1 4.18Å; V264-L266 PolarHBondContact O-N 3.48Å |
| 267 | G | 46.7 | Very low | 49.5 | Very low | 71 Ų | 71 | 92.4 Ų | 92.4 | 73% | 0.732 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 149 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 268 | E | 35.8 | Very low | 47.9 | Very low | 160 Ų | 160 | 94.5 Ų | 94.5 | 75% | 0.748 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -58 | 142.7 | -171.2 | -63.1 | 170 | 106.5 | 0 | 0 | 113.8 | ||
| 269 | R | 33.5 | Very low | 45.9 | Very low | 241 Ų | 241 | 99.4 Ų | 99.4 | 91% | 0.909 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 121.9 | 171.7 | -166.9 | 176.6 | -173.9 | 173.3 | 2.3 | 108.3 | G271 | R269-G271 PolarHBondContact O-N 3.04Š|
| 270 | P | 38.5 | Very low | 45.1 | Very low | 121 Ų | 121 | 105.3 Ų | 105.3 | 79% | 0.786 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 124.4 | -171.5 | 23.8 | -33.4 | 0 | 0 | 0 | 111.6 | ||
| 271 | G | 35.4 | Very low | 43.7 | Very low | 59 Ų | 59 | 109.4 Ų | 109.4 | 61% | 0.608 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 160.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R269 | R269-G271 PolarHBondContact O-N 3.04Š|
| 272 | P | 39.1 | Very low | 42.5 | Very low | 122 Ų | 122 | 108.4 Ų | 108.4 | 79% | 0.792 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 146.8 | -175 | 27.3 | -34.7 | 0 | 0 | 0 | 112 | S274 | P272-S274 PolarHBondContact O-N 3.11Š|
| 273 | P | 39.8 | Very low | 41.8 | Very low | 121 Ų | 121 | 115.7 Ų | 115.7 | 79% | 0.786 | 69% | 0.692 | S | S | * | * | trans | -77.8 | 108.1 | -166.6 | 30.1 | -35.5 | 0 | 0 | 0 | 112.7 | T275 | P273-T275 PolarHBondContact O-N 2.83Š| ||
| 274 | S | 33.3 | Very low | 40.5 | Very low | 120 Ų | 120 | 123 Ų | 123 | 84% | 0.839 | 72% | 0.719 | S | S | * | * | trans | -75.3 | 105.6 | 152.5 | 41.1 | 0 | 0 | 0 | 0 | 108.7 | P272 T276 | P272-S274 PolarHBondContact O-N 3.11Å; S274-T276 PolarHBondContact O-N 3.13Å | ||
| 275 | T | 37.7 | Very low | 40.5 | Very low | 125 Ų | 125 | 124.7 Ų | 124.7 | 77% | 0.767 | 72% | 0.724 | S | S | * | * | trans | -61.5 | 116.8 | -175.7 | 47.8 | 0 | 0 | 0 | 0 | 113.6 | P273 | P273-T275 PolarHBondContact O-N 2.83Š| ||
| 276 | T | 30.3 | Very low | 39.8 | Very low | 132 Ų | 132 | 122.8 Ų | 122.8 | 81% | 0.81 | 72% | 0.717 | S | S | * | * | trans | -159.8 | 95 | 136.7 | 21.5 | 0 | 0 | 0 | 0 | 111.1 | S274 A278 | S274-T276 PolarHBondContact O-N 3.13Å; T276-A278 PolarHBondContact O-N 3.23Å | ||
| 277 | S | 39.3 | Very low | 39.7 | Very low | 120 Ų | 120 | 121.6 Ų | 121.6 | 84% | 0.839 | 71% | 0.713 | S | S | * | * | trans | 17.6 | 98.1 | 145.9 | 55.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 278 | A | 31.5 | Very low | 40.4 | Very low | 103 Ų | 103 | 119 Ų | 119 | 85% | 0.851 | 68% | 0.684 | S | S | * | * | trans | -146.5 | 137.4 | 139.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | T276 | T276-A278 PolarHBondContact O-N 3.23Š| ||
| 279 | S | 28.9 | Very low | 41.4 | Very low | 103 Ų | 103 | 122.7 Ų | 122.7 | 72% | 0.72 | 69% | 0.691 | S | S | * | * | trans | -68 | 158.5 | -171 | -48.2 | 0 | 0 | 0 | 0 | 113.4 | Q281 | S279-Q281 PolarHBondContact O-N 2.95Š| ||
| 280 | P | 46.3 | Very low | 42.3 | Very low | 137 Ų | 137 | 114.9 Ų | 114.9 | 89% | 0.89 | 67% | 0.673 | S | S | * | * | trans | -73.8 | 91.6 | 179.8 | 31.4 | -35 | 0 | 0 | 0 | 110.6 | ||||
| 281 | Q | 31.7 | Very low | 43.3 | Very low | 165 Ų | 165 | 111.2 Ų | 111.2 | 77% | 0.771 | 66% | 0.658 | S | S | * | * | trans | -83.9 | 143.9 | 162.1 | -65.8 | -163.8 | -61.3 | 0 | 0 | 109.6 | S279 | S279-Q281 PolarHBondContact O-N 2.95Š| ||
| 282 | S | 31.9 | Very low | 44.7 | Very low | 90 Ų | 90 | 115.3 Ų | 115.3 | 63% | 0.629 | 66% | 0.655 | S | S | * | * | trans | -47 | 162.9 | 177.2 | -171.5 | 0 | 0 | 0 | 0 | 112.7 | Y284 | S282-Y284 VanDerWaalsContact O-CD2 3.3Å; S282-Y284 WeakPolarHBondContact O-CD2 3.41Å; S282-Y284 PolarHBondContact O-N 3.32Å | ||
| 283 | R | 40.9 | Very low | 46.2 | Very low | 245 Ų | 245 | 110.5 Ų | 110.5 | 93% | 0.925 | 62% | 0.622 | S | S | * | * | trans | -67.6 | 67.8 | 171.2 | -68.9 | -173 | -70.8 | 180 | -2.1 | 111 | M285 | R283-M285 PolarHBondContact O-N 2.98Å; R283-M285 VanDerWaalsContact O-N 3.14Å | ||
| 284 | Y | 40.9 | Very low | 47.3 | Very low | 166 Ų | 166 | 107 Ų | 107 | 65% | 0.651 | 60% | 0.603 | S | S | * | * | trans | -71.7 | 98 | 168.5 | -72.2 | -79.8 | 0 | 0 | 0 | 107.9 | S282 G286 | S282-Y284 VanDerWaalsContact O-CD2 3.3Å; S282-Y284 WeakPolarHBondContact O-CD2 3.41Å; S282-Y284 PolarHBondContact O-N 3.32Å; Y284-G286 PolarHBondContact O-N 3.02Å | ||
| 285 | M | 56.9 | Low | 48.7 | Very low | 99 Ų | 99 | 104.3 Ų | 104.3 | 49% | 0.488 | 59% | 0.594 | S | S | . | * | trans | -70.4 | 69.3 | 151.3 | -83.6 | -167.5 | 161.6 | 0 | 0 | 108.1 | R283 Y300 I311 | R283-M285 PolarHBondContact O-N 2.98Å; R283-M285 VanDerWaalsContact O-N 3.14Å; M285-Y300 VanDerWaalsContact O-CE1 3.3Å; M285-Y300 WeakPolarHBondContact O-CE1 3.29Å; M285-I311 HydrophobicContact CB-CD1 4.45Å; M285-I311 HydrophobicContact SD-CD1 3.86Å; M285-I311 HydrophobicContact SD-CG1 4.18Å | ||
| 286 | G | 54.2 | Low | 50.4 | Low | 20 Ų | 20 | 102 Ų | 102 | 21% | 0.206 | 57% | 0.572 | C | S | . | * | trans | -93.7 | -174.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y284 A288 | Y284-G286 PolarHBondContact O-N 3.02Å; G286-A288 PolarHBondContact O-N 2.85Å | ||
| 287 | P | 60.4 | Low | 52.6 | Low | 34 Ų | 34 | 100 Ų | 100 | 22% | 0.221 | 56% | 0.556 | C | S | . | * | S | Bend | trans | -49.6 | 136.2 | 176.8 | 18 | -33.6 | 0 | 0 | 0 | 113.8 | R289 R296 Y299 L393 | P287-R289 PolarHBondContact O-N 2.57Å; P287-R296 WeakPolarHBondContact CB-O 3.29Å; P287-Y299 CarbonylContact C-O 3.4Å; P287-Y299 WeakPolarHBondContact CA-O 2.92Å; P287-L393 HydrophobicContact CG-CD2 4.45Å |
| 288 | A | 61.3 | Low | 54.6 | Low | 16 Ų | 16 | 95.4 Ų | 95.4 | 13% | 0.132 | 52% | 0.52 | C | S | . | . | trans | -62.5 | 132.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112 | G286 S290 A294 G295 Y299 Y300 | G286-A288 PolarHBondContact O-N 2.85Å; A288-S290 VanDerWaalsContact C-N 3.31Å; A288-A294 WeakPolarHBondContact O-CA 3.38Å; A288-G295 PolarHBondContact O-N 3.43Å; A288-Y299 HydrophobicContact CB-CD1 4.03Å; A288-Y299 HydrophobicContact CB-CE1 4.32Å; A288-Y299 PolarHBondContact N-O 3.43Å; A288-Y300 VanDerWaalsContact CB-C 3.48Å | ||
| 289 | R | 57.6 | Low | 57 | Low | 238 Ų | 238 | 90.6 Ų | 90.6 | 90% | 0.898 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -90.8 | 4.9 | 177 | -62.6 | -178.7 | 135.3 | -137.9 | -4.8 | 113.1 | P287 | P287-R289 PolarHBondContact O-N 2.57Š|
| 290 | S | 51.7 | Low | 59.3 | Low | 76 Ų | 76 | 86.2 Ų | 86.2 | 53% | 0.531 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -142.3 | 156.1 | -179.2 | 52.2 | 0 | 0 | 0 | 0 | 110.2 | A288 | A288-S290 VanDerWaalsContact C-N 3.31Š|
| 291 | G | 61 | Low | 60.7 | Low | 45 Ų | 45 | 79.7 Ų | 79.7 | 46% | 0.464 | 41% | 0.405 | S | S | . | . | S | Bend | trans | 102.2 | -178.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F293 A294 | G291-F293 PolarHBondContact O-N 2.92Å; G291-A294 WeakPolarHBondContact O-CB 3.43Å; G291-A294 PolarHBondContact O-N 2.89Å |
| 292 | R | 64.9 | Low | 62.5 | Low | 145 Ų | 145 | 77.8 Ų | 77.8 | 55% | 0.547 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -19.4 | -166.5 | -142 | -171.3 | -55.1 | -160.9 | 12.5 | 114.3 | ||
| 293 | F | 69.2 | Low | 64.2 | Low | 20 Ų | 20 | 74.4 Ų | 74.4 | 9% | 0.088 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | 30.1 | 177.9 | -55.5 | -65.8 | 0 | 0 | 0 | 111.8 | G291 G295 R296 W298 Y299 F333 Y355 M365 | G291-F293 PolarHBondContact O-N 2.92Å; F293-G295 PolarHBondContact O-N 2.85Å; F293-R296 VanDerWaalsContact CD1-NH1 3.27Å; F293-R296 WeakPolarHBondContact O-CB 3.33Å; F293-R296 PolarHBondContact O-N 2.82Å; F293-W298 HydrophobicContact CB-CH2 4.11Å; F293-W298 HydrophobicContact CB-CZ3 4.05Å; F293-W298 HydrophobicContact CD1-CH2 4.05Å; F293-W298 HydrophobicContact CD2-CH2 4.23Å; F293-W298 HydrophobicContact CD2-CZ3 4.11Å; F293-W298 AromaticContact CG-CH2 3.88Å; F293-W298 HydrophobicContact CG-CH2 3.88Å; F293-W298 HydrophobicContact CG-CZ3 4.04Å; F293-Y299 VanDerWaalsContact C-CD1 3.44Å; F293-Y299 HydrophobicContact CB-CD1 3.7Å; F293-Y299 HydrophobicContact CB-CD2 4.05Å; F293-Y299 HydrophobicContact CB-CE1 4.11Å; F293-Y299 HydrophobicContact CB-CE2 4.46Å; F293-Y299 HydrophobicContact CB-CG 3.63Å; F293-Y299 HydrophobicContact CD2-CD2 4.03Å; F293-Y299 AromaticContact CD2-CE2 3.99Å; F293-Y299 HydrophobicContact CD2-CE2 3.99Å; F293-Y299 HydrophobicContact CD2-CG 4.48Å; F293-Y299 WeakPolarHBondContact O-CD1 3.15Å; F293-F333 HydrophobicContact CD2-CE1 4.09Å; F293-F333 HydrophobicContact CD2-CZ 4.35Å; F293-F333 HydrophobicContact CE2-CD1 4.26Å; F293-F333 AromaticContact CE2-CE1 3.73Å; F293-F333 HydrophobicContact CE2-CE1 3.73Å; F293-F333 HydrophobicContact CE2-CE2 4.06Å; F293-F333 AromaticContact CE2-CZ 3.62Å; F293-F333 HydrophobicContact CE2-CZ 3.62Å; F293-F333 HydrophobicContact CZ-CZ 4.44Å; F293-Y355 HydrophobicContact CE2-CE1 4.43Å; F293-Y355 AromaticContact CZ-CE1 3.89Å; F293-Y355 HydrophobicContact CZ-CE1 3.89Å; F293-Y355 AromaticContact CZ-CZ 3.89Å; F293-Y355 WeakPolarHBondContact CZ-OH 3.26Å; F293-M365 HydrophobicContact CE1-CB 3.91Å; F293-M365 HydrophobicContact CE2-CB 4.13Å; F293-M365 HydrophobicContact CE2-CG 4.15Å; F293-M365 HydrophobicContact CZ-CB 3.57Å; F293-M365 HydrophobicContact CZ-CG 4.1Å |
| 294 | A | 63.8 | Low | 65.9 | Low | 48 Ų | 48 | 65.2 Ų | 65.2 | 40% | 0.397 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 134.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A288 G291 | A288-A294 WeakPolarHBondContact O-CA 3.38Å; G291-A294 WeakPolarHBondContact O-CB 3.43Å; G291-A294 PolarHBondContact O-N 2.89Å |
| 295 | G | 61.9 | Low | 67.5 | Low | 63 Ų | 63 | 62.5 Ų | 62.5 | 65% | 0.649 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 11.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A288 F293 | A288-G295 PolarHBondContact O-N 3.43Å; F293-G295 PolarHBondContact O-N 2.85Å |
| 296 | R | 74.8 | Confident | 68.1 | Low | 78 Ų | 78 | 64.3 Ų | 64.3 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | trans | -97.5 | 133.1 | 168.6 | -65.1 | -169.1 | 179 | 174.4 | -16.6 | 111.3 | P287 F293 W298 Y299 D366 | P287-R296 WeakPolarHBondContact CB-O 3.29Å; F293-R296 VanDerWaalsContact CD1-NH1 3.27Å; F293-R296 WeakPolarHBondContact O-CB 3.33Å; F293-R296 PolarHBondContact O-N 2.82Å; R296-W298 HydrophobicContact CB-CD2 4.21Å; R296-W298 HydrophobicContact CB-CZ2 4.44Å; R296-W298 VanDerWaalsContact NH1-CH2 3.34Å; R296-W298 PolarHBondContact O-N 3.25Å; R296-Y299 PolarHBondContact O-N 3.1Å; R296-D366 VanDerWaalsContact CZ-CG 3.44Å; R296-D366 IonicContact CZ-OD1 3.01Å; R296-D366 IonicContact CZ-OD2 3.08Å; R296-D366 IonicContact NE-OD1 3.64Å; R296-D366 IonicContact NH1-OD1 2.85Å; R296-D366 PolarHBondContact NH1-OD1 3.48Å; R296-D366 IonicContact NH1-OD2 3.28Å; R296-D366 PolarHBondContact NH1-OD2 2.85Å; R296-D366 VanDerWaalsContact NH2-CG 3.28Å; R296-D366 IonicContact NH2-OD1 3.14Å; R296-D366 PolarHBondContact NH2-OD1 2.78Å; R296-D366 VanDerWaalsContact NH2-OD1 3.14Å; R296-D366 IonicContact NH2-OD2 2.74Å; R296-D366 PolarHBondContact NH2-OD2 3.33Å | ||
| 297 | D | 74.9 | Confident | 68.9 | Low | 90 Ų | 90 | 66.6 Ų | 66.6 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -30.2 | -174.7 | -56.1 | -50.4 | 0 | 0 | 0 | 114.3 | A391 L392 L393 | D297-A391 HydrophobicContact CB-CB 4.18Å; D297-L392 VanDerWaalsContact O-O 3.07Å; D297-L393 HydrophobicContact CB-CD2 3.77Å |
| 298 | W | 81 | Confident | 69.6 | Low | 22 Ų | 22 | 65 Ų | 65 | 8% | 0.083 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -10.2 | 179.6 | 47.6 | -103.8 | 0 | 0 | 0 | 114.8 | F293 R296 F321 L322 I323 M365 A391 | F293-W298 HydrophobicContact CB-CH2 4.11Å; F293-W298 HydrophobicContact CB-CZ3 4.05Å; F293-W298 HydrophobicContact CD1-CH2 4.05Å; F293-W298 HydrophobicContact CD2-CH2 4.23Å; F293-W298 HydrophobicContact CD2-CZ3 4.11Å; F293-W298 AromaticContact CG-CH2 3.88Å; F293-W298 HydrophobicContact CG-CH2 3.88Å; F293-W298 HydrophobicContact CG-CZ3 4.04Å; R296-W298 HydrophobicContact CB-CD2 4.21Å; R296-W298 HydrophobicContact CB-CZ2 4.44Å; R296-W298 VanDerWaalsContact NH1-CH2 3.34Å; R296-W298 PolarHBondContact O-N 3.25Å; W298-F321 HydrophobicContact CB-CD2 4.43Å; W298-F321 HydrophobicContact CB-CE2 3.67Å; W298-F321 HydrophobicContact CB-CZ 4.14Å; W298-F321 HydrophobicContact CG-CE2 4.27Å; W298-L322 CarbonylContact O-C 3.57Å; W298-L322 WeakPolarHBondContact O-CA 3.45Å; W298-I323 HydrophobicContact CD2-CD1 3.97Å; W298-I323 HydrophobicContact CE3-CB 3.84Å; W298-I323 HydrophobicContact CE3-CD1 3.4Å; W298-I323 HydrophobicContact CE3-CG1 4.13Å; W298-I323 HydrophobicContact CE3-CG2 4.32Å; W298-I323 HydrophobicContact CH2-CD1 4.41Å; W298-I323 HydrophobicContact CZ3-CB 4.15Å; W298-I323 HydrophobicContact CZ3-CD1 3.67Å; W298-I323 HydrophobicContact CZ3-CG2 4.12Å; W298-I323 PolarHBondContact O-N 2.64Å; W298-M365 HydrophobicContact CH2-CB 3.87Å; W298-M365 HydrophobicContact CH2-CG 3.59Å; W298-M365 HydrophobicContact CZ2-CG 4.47Å; W298-M365 HydrophobicContact CZ3-CG 3.93Å; W298-A391 HydrophobicContact CB-CB 3.78Å |
| 299 | Y | 81.9 | Confident | 70.4 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.008 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 120.5 | -174.4 | -178.2 | -119.1 | 0 | 0 | 0 | 110.9 | P287 A288 F293 R296 G301 I323 D325 F333 | P287-Y299 CarbonylContact C-O 3.4Å; P287-Y299 WeakPolarHBondContact CA-O 2.92Å; A288-Y299 HydrophobicContact CB-CD1 4.03Å; A288-Y299 HydrophobicContact CB-CE1 4.32Å; A288-Y299 PolarHBondContact N-O 3.43Å; F293-Y299 VanDerWaalsContact C-CD1 3.44Å; F293-Y299 HydrophobicContact CB-CD1 3.7Å; F293-Y299 HydrophobicContact CB-CD2 4.05Å; F293-Y299 HydrophobicContact CB-CE1 4.11Å; F293-Y299 HydrophobicContact CB-CE2 4.46Å; F293-Y299 HydrophobicContact CB-CG 3.63Å; F293-Y299 HydrophobicContact CD2-CD2 4.03Å; F293-Y299 AromaticContact CD2-CE2 3.99Å; F293-Y299 HydrophobicContact CD2-CE2 3.99Å; F293-Y299 HydrophobicContact CD2-CG 4.48Å; F293-Y299 WeakPolarHBondContact O-CD1 3.15Å; R296-Y299 PolarHBondContact O-N 3.1Å; Y299-G301 VanDerWaalsContact CZ-CA 3.47Å; Y299-I323 WeakPolarHBondContact CA-O 3.39Å; Y299-I323 HydrophobicContact CD2-CG2 4.1Å; Y299-I323 WeakPolarHBondContact CD2-O 2.96Å; Y299-D325 VanDerWaalsContact CE2-OD1 3.3Å; Y299-D325 WeakPolarHBondContact CE2-OD1 3.42Å; Y299-D325 PolarHBondContact OH-OD1 3.03Å; Y299-D325 PolarHBondContact OH-OD2 2.92Å; Y299-F333 HydrophobicContact CE2-CD1 4.33Å; Y299-F333 HydrophobicContact CE2-CE1 4.23Å |
| 300 | Y | 77.4 | Confident | 71.1 | Confident | 12 Ų | 12 | 58 Ų | 58 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 2.3 | 179.7 | -81.7 | -115.8 | 0 | 0 | 0 | 112.8 | M285 A288 N302 I303 I311 L322 I323 L392 | M285-Y300 VanDerWaalsContact O-CE1 3.3Å; M285-Y300 WeakPolarHBondContact O-CE1 3.29Å; A288-Y300 VanDerWaalsContact CB-C 3.48Å; Y300-N302 PolarHBondContact O-N 3.05Å; Y300-I303 VanDerWaalsContact CB-CD1 3.5Å; Y300-I303 HydrophobicContact CD1-CD1 4.06Å; Y300-I303 HydrophobicContact CG-CD1 4.1Å; Y300-I311 HydrophobicContact CD1-CD1 4.11Å; Y300-I311 HydrophobicContact CE1-CD1 4.21Å; Y300-I311 HydrophobicContact CE1-CG2 4.27Å; Y300-L322 HydrophobicContact CD1-CD2 4.32Å; Y300-L322 HydrophobicContact CD2-CB 3.6Å; Y300-L322 HydrophobicContact CD2-CD2 4.32Å; Y300-L322 HydrophobicContact CD2-CG 4.45Å; Y300-L322 HydrophobicContact CE1-CD2 4.47Å; Y300-L322 HydrophobicContact CE2-CB 3.88Å; Y300-L322 HydrophobicContact CE2-CD2 4.48Å; Y300-L322 HydrophobicContact CG-CB 4.22Å; Y300-L322 HydrophobicContact CG-CD2 4.24Å; Y300-I323 PolarHBondContact N-O 2.86Å; Y300-L392 HydrophobicContact CE2-CB 4.37Å; Y300-L392 PolarHBondContact OH-O 2.8Å |
| 301 | G | 75.5 | Confident | 72.3 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 64 | -132.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y299 I303 R324 D325 | Y299-G301 VanDerWaalsContact CZ-CA 3.47Å; G301-I303 PolarHBondContact O-N 3.2Å; G301-R324 WeakPolarHBondContact O-CA 3.38Å; G301-R324 WeakPolarHBondContact O-CB 3.48Å; G301-D325 PolarHBondContact O-N 2.86Å |
| 302 | N | 71 | Confident | 73.2 | Confident | 125 Ų | 125 | 52.6 Ų | 52.6 | 67% | 0.668 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -79.9 | 45.6 | -169 | -47.7 | 93.2 | 0 | 0 | 0 | 113.5 | Y300 D325 | Y300-N302 PolarHBondContact O-N 3.05Å; N302-D325 PolarHBondContact ND2-OD2 3.34Å |
| 303 | I | 67.5 | Low | 73.7 | Confident | 19 Ų | 19 | 50.1 Ų | 50.1 | 10% | 0.097 | 27% | 0.27 | C | S | . | . | trans | -94.1 | 141.7 | 174.2 | 63.1 | 163 | 0 | 0 | 0 | 112.2 | Y300 G301 E307 A308 I311 L322 R324 | Y300-I303 VanDerWaalsContact CB-CD1 3.5Å; Y300-I303 HydrophobicContact CD1-CD1 4.06Å; Y300-I303 HydrophobicContact CG-CD1 4.1Å; G301-I303 PolarHBondContact O-N 3.2Å; I303-E307 HydrophobicContact CB-CB 4.19Å; I303-A308 HydrophobicContact CD1-CB 3.9Å; I303-I311 HydrophobicContact CD1-CD1 3.98Å; I303-L322 HydrophobicContact CD1-CD1 3.85Å; I303-L322 HydrophobicContact CD1-CD2 4.13Å; I303-R324 HydrophobicContact CD1-CB 4.32Å; I303-R324 HydrophobicContact CG1-CB 3.56Å; I303-R324 HydrophobicContact CG1-CG 4.45Å; I303-R324 WeakPolarHBondContact O-CD 3.49Å; I303-R324 PolarHBondContact O-NH1 3.15Å; I303-R324 VanDerWaalsContact O-NH1 3.13Å | ||
| 304 | T | 76.4 | Confident | 73.9 | Confident | 51 Ų | 51 | 55.6 Ų | 55.6 | 31% | 0.313 | 30% | 0.296 | S | S | . | . | trans | -67.6 | 166.5 | 176.3 | 61 | 0 | 0 | 0 | 0 | 111.9 | H306 E307 A308 E327 | T304-H306 PolarHBondContact O-N 2.91Å; T304-E307 VanDerWaalsContact CB-OE2 3.3Å; T304-E307 WeakPolarHBondContact CB-OE2 3.27Å; T304-E307 WeakPolarHBondContact CG2-OE2 3Å; T304-E307 PolarHBondContact N-OE2 3.23Å; T304-E307 PolarHBondContact O-N 3.02Å; T304-E307 WeakPolarHBondContact OG1-CB 3.32Å; T304-E307 VanDerWaalsContact OG1-CD 3.32Å; T304-E307 VanDerWaalsContact OG1-CG 3.27Å; T304-E307 WeakPolarHBondContact OG1-CG 3.49Å; T304-E307 PolarHBondContact OG1-N 3.44Å; T304-E307 VanDerWaalsContact OG1-N 3.13Å; T304-E307 PolarHBondContact OG1-OE2 3.27Å; T304-A308 WeakPolarHBondContact O-CB 3.39Å; T304-A308 PolarHBondContact O-N 3.27Å; T304-E327 WeakPolarHBondContact CA-OE2 3.49Å; T304-E327 WeakPolarHBondContact CB-OE2 3.47Å | ||
| 305 | R | 75.1 | Confident | 74.3 | Confident | 110 Ų | 110 | 59.8 Ų | 59.8 | 42% | 0.415 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.8 | -43.7 | 170.9 | -173.6 | -179 | 163.7 | 168.2 | -3 | 111.4 | A308 E309 R324 E327 H345 | R305-A308 WeakPolarHBondContact O-CB 3.49Å; R305-A308 PolarHBondContact O-N 2.65Å; R305-E309 HydrophobicContact CG-CG 4.45Å; R305-E309 IonicContact CZ-OE1 3.87Å; R305-E309 VanDerWaalsContact CZ-OE1 3.28Å; R305-E309 IonicContact NE-OE1 2.69Å; R305-E309 PolarHBondContact NE-OE1 3.19Å; R305-E309 IonicContact NH2-OE1 2.62Å; R305-E309 PolarHBondContact NH2-OE1 2.85Å; R305-E309 WeakPolarHBondContact O-CG 3.47Å; R305-E309 PolarHBondContact O-N 2.71Å; R305-R324 VanDerWaalsContact CA-CZ 3.47Å; R305-R324 VanDerWaalsContact CB-NH2 3.29Å; R305-E327 WeakPolarHBondContact CB-OE1 3.4Å; R305-E327 VanDerWaalsContact N-CD 3.25Å; R305-E327 PolarHBondContact N-OE1 3.21Å; R305-E327 PolarHBondContact N-OE2 3.35Å; R305-H345 PolarHBondContact NE-CD2 3.17Å |
| 306 | H | 69 | Low | 74.9 | Confident | 136 Ų | 136 | 57.4 Ų | 57.4 | 63% | 0.63 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -69.1 | -40.5 | -175.1 | -173.8 | 61.3 | 0 | 0 | 0 | 111.8 | T304 E309 C310 | T304-H306 PolarHBondContact O-N 2.91Å; H306-E309 PolarHBondContact O-N 3.29Å; H306-C310 WeakPolarHBondContact O-CB 3.44Å; H306-C310 PolarHBondContact O-N 2.95Å |
| 307 | E | 70.3 | Confident | 74.9 | Confident | 68 Ų | 68 | 59.6 Ų | 59.6 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 171.9 | -72.3 | 163.1 | 126 | 0 | 0 | 111 | I303 T304 E309 C310 I311 | I303-E307 HydrophobicContact CB-CB 4.19Å; T304-E307 VanDerWaalsContact CB-OE2 3.3Å; T304-E307 WeakPolarHBondContact CB-OE2 3.27Å; T304-E307 WeakPolarHBondContact CG2-OE2 3Å; T304-E307 PolarHBondContact N-OE2 3.23Å; T304-E307 PolarHBondContact O-N 3.02Å; T304-E307 WeakPolarHBondContact OG1-CB 3.32Å; T304-E307 VanDerWaalsContact OG1-CD 3.32Å; T304-E307 VanDerWaalsContact OG1-CG 3.27Å; T304-E307 WeakPolarHBondContact OG1-CG 3.49Å; T304-E307 PolarHBondContact OG1-N 3.44Å; T304-E307 VanDerWaalsContact OG1-N 3.13Å; T304-E307 PolarHBondContact OG1-OE2 3.27Å; E307-E309 VanDerWaalsContact C-N 3.34Å; E307-E309 PolarHBondContact O-N 3.35Å; E307-C310 WeakPolarHBondContact O-CB 3.08Å; E307-C310 PolarHBondContact O-N 3.31Å; E307-C310 VanDerWaalsContact O-N 3.1Å; E307-I311 WeakPolarHBondContact O-CD1 3.46Å; E307-I311 WeakPolarHBondContact O-CG1 3.37Å; E307-I311 PolarHBondContact O-N 3.19Å |
| 308 | A | 76.2 | Confident | 75 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I303 T304 R305 C310 L312 L322 | I303-A308 HydrophobicContact CD1-CB 3.9Å; T304-A308 WeakPolarHBondContact O-CB 3.39Å; T304-A308 PolarHBondContact O-N 3.27Å; R305-A308 WeakPolarHBondContact O-CB 3.49Å; R305-A308 PolarHBondContact O-N 2.65Å; A308-C310 VanDerWaalsContact C-N 3.33Å; A308-L312 VanDerWaalsContact O-CB 3.29Å; A308-L312 WeakPolarHBondContact O-CB 3.32Å; A308-L312 WeakPolarHBondContact O-CD1 3.28Å; A308-L312 VanDerWaalsContact O-CG 3.26Å; A308-L312 WeakPolarHBondContact O-CG 3.24Å; A308-L312 PolarHBondContact O-N 3.45Å; A308-L322 HydrophobicContact CB-CD1 3.83Å; A308-L322 HydrophobicContact CB-CD2 4.33Å |
| 309 | E | 76.8 | Confident | 74.6 | Confident | 39 Ų | 39 | 60.6 Ų | 60.6 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 173.9 | -74.2 | 176 | 172.5 | 0 | 0 | 111.6 | R305 H306 E307 N313 N343 H345 | R305-E309 HydrophobicContact CG-CG 4.45Å; R305-E309 IonicContact CZ-OE1 3.87Å; R305-E309 VanDerWaalsContact CZ-OE1 3.28Å; R305-E309 IonicContact NE-OE1 2.69Å; R305-E309 PolarHBondContact NE-OE1 3.19Å; R305-E309 IonicContact NH2-OE1 2.62Å; R305-E309 PolarHBondContact NH2-OE1 2.85Å; R305-E309 WeakPolarHBondContact O-CG 3.47Å; R305-E309 PolarHBondContact O-N 2.71Å; H306-E309 PolarHBondContact O-N 3.29Å; E307-E309 VanDerWaalsContact C-N 3.34Å; E307-E309 PolarHBondContact O-N 3.35Å; E309-N313 WeakPolarHBondContact O-CB 3.1Å; E309-N313 PolarHBondContact O-N 3.06Å; E309-N313 PolarHBondContact O-ND2 2.84Å; E309-N343 HydrophobicContact CG-CB 4.45Å; E309-N343 PolarHBondContact O-ND2 2.82Å; E309-H345 WeakPolarHBondContact CG-NE2 3.47Å; E309-H345 IonicContact OE1-CD2 3.95Å; E309-H345 IonicContact OE1-NE2 3.2Å; E309-H345 PolarHBondContact OE1-NE2 3.1Å; E309-H345 VanDerWaalsContact OE1-NE2 3.07Å |
| 310 | C | 71.9 | Confident | 74.7 | Confident | 69 Ų | 69 | 60.7 Ų | 60.7 | 47% | 0.466 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.3 | -50.9 | 179 | -168.5 | 0 | 0 | 0 | 0 | 111.8 | H306 E307 A308 L312 N313 E314 | H306-C310 WeakPolarHBondContact O-CB 3.44Å; H306-C310 PolarHBondContact O-N 2.95Å; E307-C310 WeakPolarHBondContact O-CB 3.08Å; E307-C310 PolarHBondContact O-N 3.31Å; E307-C310 VanDerWaalsContact O-N 3.1Å; A308-C310 VanDerWaalsContact C-N 3.33Å; C310-L312 PolarHBondContact O-N 3.33Å; C310-N313 PolarHBondContact O-N 3.21Å; C310-N313 VanDerWaalsContact O-N 3.09Å; C310-E314 WeakPolarHBondContact O-CB 3.4Å; C310-E314 PolarHBondContact O-N 2.62Å |
| 311 | I | 77.8 | Confident | 75.2 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.036 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.5 | -42.8 | -179.2 | -51.6 | 155.6 | 0 | 0 | 0 | 110.2 | M285 Y300 I303 E307 N313 E314 R315 L392 | M285-I311 HydrophobicContact CB-CD1 4.45Å; M285-I311 HydrophobicContact SD-CD1 3.86Å; M285-I311 HydrophobicContact SD-CG1 4.18Å; Y300-I311 HydrophobicContact CD1-CD1 4.11Å; Y300-I311 HydrophobicContact CE1-CD1 4.21Å; Y300-I311 HydrophobicContact CE1-CG2 4.27Å; I303-I311 HydrophobicContact CD1-CD1 3.98Å; E307-I311 WeakPolarHBondContact O-CD1 3.46Å; E307-I311 WeakPolarHBondContact O-CG1 3.37Å; E307-I311 PolarHBondContact O-N 3.19Å; I311-N313 VanDerWaalsContact C-N 3.26Å; I311-N313 PolarHBondContact O-N 2.87Å; I311-E314 PolarHBondContact O-N 2.85Å; I311-R315 WeakPolarHBondContact O-CB 3.44Å; I311-R315 PolarHBondContact O-N 3.21Å; I311-L392 HydrophobicContact CB-CD2 4.23Å; I311-L392 HydrophobicContact CG2-CD2 3.52Å |
| 312 | L | 79.6 | Confident | 75.8 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.1 | -23.9 | 174.7 | -72.5 | 166.3 | 0 | 0 | 0 | 113.4 | A308 C310 G316 D320 L322 K338 L392 | A308-L312 VanDerWaalsContact O-CB 3.29Å; A308-L312 WeakPolarHBondContact O-CB 3.32Å; A308-L312 WeakPolarHBondContact O-CD1 3.28Å; A308-L312 VanDerWaalsContact O-CG 3.26Å; A308-L312 WeakPolarHBondContact O-CG 3.24Å; A308-L312 PolarHBondContact O-N 3.45Å; C310-L312 PolarHBondContact O-N 3.33Å; L312-G316 VanDerWaalsContact O-CA 3.25Å; L312-G316 WeakPolarHBondContact O-CA 3.44Å; L312-G316 PolarHBondContact O-N 2.83Å; L312-D320 HydrophobicContact CD2-CB 4.31Å; L312-D320 WeakPolarHBondContact CD2-O 3.42Å; L312-L322 HydrophobicContact CD1-CD2 4.36Å; L312-L322 HydrophobicContact CD1-CG 4.29Å; L312-L322 HydrophobicContact CD2-CD2 4.43Å; L312-L322 HydrophobicContact CG-CD2 4.03Å; L312-L322 HydrophobicContact CG-CG 4.39Å; L312-K338 HydrophobicContact CB-CB 4.43Å; L312-K338 HydrophobicContact CD2-CB 4.03Å; L312-K338 WeakPolarHBondContact O-CD 3.46Å; L312-K338 WeakPolarHBondContact O-CE 3.37Å; L312-L392 HydrophobicContact CD2-CD2 3.8Å; L312-L392 HydrophobicContact CG-CD2 4.17Å |
| 313 | N | 76.1 | Confident | 76.5 | Confident | 94 Ų | 94 | 54.1 Ų | 54.1 | 50% | 0.503 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -88.9 | -30 | 175.8 | -74.5 | -25.1 | 0 | 0 | 0 | 113.6 | E309 C310 I311 K338 N343 | E309-N313 WeakPolarHBondContact O-CB 3.1Å; E309-N313 PolarHBondContact O-N 3.06Å; E309-N313 PolarHBondContact O-ND2 2.84Å; C310-N313 PolarHBondContact O-N 3.21Å; C310-N313 VanDerWaalsContact O-N 3.09Å; I311-N313 VanDerWaalsContact C-N 3.26Å; I311-N313 PolarHBondContact O-N 2.87Å; N313-K338 PolarHBondContact OD1-NZ 3.46Å; N313-N343 PolarHBondContact OD1-ND2 3.16Å; N313-N343 PolarHBondContact OD1-OD1 3.13Å |
| 314 | E | 72.9 | Confident | 77.4 | Confident | 134 Ų | 134 | 53.6 Ų | 53.6 | 63% | 0.626 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -78.9 | -37 | 176.7 | -171.7 | -169.6 | -141.5 | 0 | 0 | 111.8 | C310 I311 | C310-E314 WeakPolarHBondContact O-CB 3.4Å; C310-E314 PolarHBondContact O-N 2.62Å; I311-E314 PolarHBondContact O-N 2.85Å |
| 315 | R | 71.6 | Confident | 77.4 | Confident | 137 Ų | 137 | 52.9 Ų | 52.9 | 52% | 0.517 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128 | -17.5 | -167.1 | -58.1 | 172.8 | -166.2 | -99.5 | -17.7 | 114.8 | I311 L392 | I311-R315 WeakPolarHBondContact O-CB 3.44Å; I311-R315 PolarHBondContact O-N 3.21Å; R315-L392 HydrophobicContact CB-CD1 4.24Å |
| 316 | G | 75.9 | Confident | 77.2 | Confident | 12 Ų | 12 | 48.2 Ų | 48.2 | 12% | 0.124 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -86 | 133.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L312 D320 K338 | L312-G316 VanDerWaalsContact O-CA 3.25Å; L312-G316 WeakPolarHBondContact O-CA 3.44Å; L312-G316 PolarHBondContact O-N 2.83Å; G316-D320 WeakPolarHBondContact CA-OD2 3.5Å; G316-K338 VanDerWaalsContact O-CE 3.26Å; G316-K338 WeakPolarHBondContact O-CE 3.4Å |
| 317 | E | 74.9 | Confident | 76.8 | Confident | 125 Ų | 125 | 46.9 Ų | 46.9 | 58% | 0.584 | 23% | 0.23 | S | C | * | . | P | Polyproline II helix | trans | -93.6 | 171 | 166.9 | -64.6 | -177.7 | 114 | 0 | 0 | 111.3 | G319 D320 K338 K390 | E317-G319 PolarHBondContact O-N 3.05Å; E317-D320 PolarHBondContact N-OD2 2.85Å; E317-D320 WeakPolarHBondContact O-CB 3.29Å; E317-D320 PolarHBondContact O-N 3Å; E317-K338 VanDerWaalsContact O-CB 3.22Å; E317-K338 WeakPolarHBondContact O-CB 3.23Å; E317-K338 WeakPolarHBondContact O-CG 3Å; E317-K390 IonicContact OE2-NZ 2.75Å; E317-K390 PolarHBondContact OE2-NZ 3.15Å |
| 318 | E | 76.5 | Confident | 75.9 | Confident | 127 Ų | 127 | 48.8 Ų | 48.8 | 59% | 0.593 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 126.6 | -178.6 | -170.7 | -170.3 | 159.9 | 0 | 0 | 111.7 | V340 | E318-V340 HydrophobicContact CG-CG2 3.96Å; E318-V340 VanDerWaalsContact OE2-CG2 3.3Å; E318-V340 WeakPolarHBondContact OE2-CG2 3.29Å |
| 319 | G | 72.3 | Confident | 75.2 | Confident | 5 Ų | 5 | 50 Ų | 50 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | -5.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E317 L337 K338 V389 | E317-G319 PolarHBondContact O-N 3.05Å; G319-L337 WeakPolarHBondContact O-CD1 3.23Å; G319-K338 PolarHBondContact N-O 2.76Å; G319-V389 PolarHBondContact O-N 3.27Å |
| 320 | D | 84.4 | Confident | 74.3 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 133.5 | 178 | -68.9 | 17.9 | 0 | 0 | 0 | 110.9 | L312 G316 E317 L337 K338 K390 L392 | L312-D320 HydrophobicContact CD2-CB 4.31Å; L312-D320 WeakPolarHBondContact CD2-O 3.42Å; G316-D320 WeakPolarHBondContact CA-OD2 3.5Å; E317-D320 PolarHBondContact N-OD2 2.85Å; E317-D320 WeakPolarHBondContact O-CB 3.29Å; E317-D320 PolarHBondContact O-N 3Å; D320-L337 WeakPolarHBondContact O-CA 3.25Å; D320-L337 WeakPolarHBondContact O-CD1 3.46Å; D320-K338 HydrophobicContact CB-CB 4.13Å; D320-K338 WeakPolarHBondContact O-CB 3.26Å; D320-K338 PolarHBondContact O-N 2.85Å; D320-K390 WeakPolarHBondContact CA-O 3.41Å; D320-K390 WeakPolarHBondContact OD1-CE 3.37Å; D320-K390 WeakPolarHBondContact OD1-CG 3.36Å; D320-K390 IonicContact OD1-NZ 3.33Å; D320-K390 WeakPolarHBondContact OD2-CE 3.4Å; D320-K390 IonicContact OD2-NZ 2.96Å; D320-L392 HydrophobicContact CB-CD1 4.16Å |
| 321 | F | 88.4 | Confident | 74.2 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 154.8 | -179 | 74.6 | -80.7 | 0 | 0 | 0 | 113.1 | W298 I323 S336 L337 V369 L388 K390 A391 L392 | W298-F321 HydrophobicContact CB-CD2 4.43Å; W298-F321 HydrophobicContact CB-CE2 3.67Å; W298-F321 HydrophobicContact CB-CZ 4.14Å; W298-F321 HydrophobicContact CG-CE2 4.27Å; F321-I323 HydrophobicContact CE2-CD1 4.3Å; F321-S336 CarbonylContact C-O 3.47Å; F321-S336 WeakPolarHBondContact CA-O 3.4Å; F321-S336 WeakPolarHBondContact CB-O 3.24Å; F321-L337 HydrophobicContact CB-CD1 4.01Å; F321-V369 HydrophobicContact CE2-CG1 3.85Å; F321-V369 HydrophobicContact CE2-CG2 3.98Å; F321-V369 HydrophobicContact CZ-CG1 3.49Å; F321-V369 VanDerWaalsContact CZ-CG1 3.49Å; F321-V369 HydrophobicContact CZ-CG2 4.47Å; F321-L388 HydrophobicContact CB-CD2 3.76Å; F321-L388 HydrophobicContact CD1-CB 3.56Å; F321-L388 HydrophobicContact CD1-CD2 4.22Å; F321-L388 HydrophobicContact CD1-CG 4.34Å; F321-L388 HydrophobicContact CD2-CB 4.46Å; F321-L388 HydrophobicContact CD2-CD1 4.19Å; F321-L388 HydrophobicContact CD2-CD2 4.29Å; F321-L388 HydrophobicContact CE1-CB 3.71Å; F321-L388 HydrophobicContact CE2-CD1 4.31Å; F321-L388 HydrophobicContact CG-CB 3.99Å; F321-L388 HydrophobicContact CG-CD1 4.41Å; F321-L388 HydrophobicContact CG-CD2 3.83Å; F321-L388 HydrophobicContact CG-CG 4.27Å; F321-L388 HydrophobicContact CZ-CB 4.24Å; F321-K390 WeakPolarHBondContact CD1-O 3.44Å; F321-K390 VanDerWaalsContact CE1-C 3.41Å; F321-K390 WeakPolarHBondContact CE1-O 3.4Å; F321-K390 PolarHBondContact N-O 3.14Å; F321-A391 HydrophobicContact CZ-CB 4.49Å; F321-A391 WeakPolarHBondContact O-CA 3.28Å; F321-L392 PolarHBondContact O-N 3.01Å |
| 322 | L | 87.2 | Confident | 74.3 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 158.9 | 167.4 | 65.7 | 78.4 | 0 | 0 | 0 | 109.8 | W298 Y300 I303 A308 L312 R324 S336 L392 | W298-L322 CarbonylContact O-C 3.57Å; W298-L322 WeakPolarHBondContact O-CA 3.45Å; Y300-L322 HydrophobicContact CD1-CD2 4.32Å; Y300-L322 HydrophobicContact CD2-CB 3.6Å; Y300-L322 HydrophobicContact CD2-CD2 4.32Å; Y300-L322 HydrophobicContact CD2-CG 4.45Å; Y300-L322 HydrophobicContact CE1-CD2 4.47Å; Y300-L322 HydrophobicContact CE2-CB 3.88Å; Y300-L322 HydrophobicContact CE2-CD2 4.48Å; Y300-L322 HydrophobicContact CG-CB 4.22Å; Y300-L322 HydrophobicContact CG-CD2 4.24Å; I303-L322 HydrophobicContact CD1-CD1 3.85Å; I303-L322 HydrophobicContact CD1-CD2 4.13Å; A308-L322 HydrophobicContact CB-CD1 3.83Å; A308-L322 HydrophobicContact CB-CD2 4.33Å; L312-L322 HydrophobicContact CD1-CD2 4.36Å; L312-L322 HydrophobicContact CD1-CG 4.29Å; L312-L322 HydrophobicContact CD2-CD2 4.43Å; L312-L322 HydrophobicContact CG-CD2 4.03Å; L312-L322 HydrophobicContact CG-CG 4.39Å; L322-R324 HydrophobicContact CD1-CB 4.34Å; L322-S336 PolarHBondContact N-O 3.4Å; L322-S336 PolarHBondContact O-N 3.25Å; L322-L392 HydrophobicContact CD2-CD2 3.99Å |
| 323 | I | 86.5 | Confident | 74.6 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 131.5 | 176.8 | -70.7 | 161.2 | 0 | 0 | 0 | 107.8 | W298 Y299 Y300 F321 F333 V335 M365 V369 | W298-I323 HydrophobicContact CD2-CD1 3.97Å; W298-I323 HydrophobicContact CE3-CB 3.84Å; W298-I323 HydrophobicContact CE3-CD1 3.4Å; W298-I323 HydrophobicContact CE3-CG1 4.13Å; W298-I323 HydrophobicContact CE3-CG2 4.32Å; W298-I323 HydrophobicContact CH2-CD1 4.41Å; W298-I323 HydrophobicContact CZ3-CB 4.15Å; W298-I323 HydrophobicContact CZ3-CD1 3.67Å; W298-I323 HydrophobicContact CZ3-CG2 4.12Å; W298-I323 PolarHBondContact O-N 2.64Å; Y299-I323 WeakPolarHBondContact CA-O 3.39Å; Y299-I323 HydrophobicContact CD2-CG2 4.1Å; Y299-I323 WeakPolarHBondContact CD2-O 2.96Å; Y300-I323 PolarHBondContact N-O 2.86Å; F321-I323 HydrophobicContact CE2-CD1 4.3Å; I323-F333 HydrophobicContact CG2-CB 4.37Å; I323-V335 HydrophobicContact CD1-CG2 4.35Å; I323-V335 HydrophobicContact CG1-CB 4.45Å; I323-V335 HydrophobicContact CG1-CG2 3.89Å; I323-M365 HydrophobicContact CB-CE 4.4Å; I323-M365 HydrophobicContact CD1-CE 3.87Å; I323-M365 HydrophobicContact CD1-CG 4.22Å; I323-M365 HydrophobicContact CG1-CE 4.1Å; I323-M365 HydrophobicContact CG2-CE 3.4Å; I323-V369 HydrophobicContact CD1-CG2 3.49Å; I323-V369 VanDerWaalsContact CD1-CG2 3.49Å |
| 324 | R | 84.9 | Confident | 74.9 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 3% | 0.03 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 163.2 | -179.9 | 67.5 | -164.7 | -171.2 | 78 | -0.5 | 110.3 | G301 I303 R305 L322 E327 F333 S334 S336 | G301-R324 WeakPolarHBondContact O-CA 3.38Å; G301-R324 WeakPolarHBondContact O-CB 3.48Å; I303-R324 HydrophobicContact CD1-CB 4.32Å; I303-R324 HydrophobicContact CG1-CB 3.56Å; I303-R324 HydrophobicContact CG1-CG 4.45Å; I303-R324 WeakPolarHBondContact O-CD 3.49Å; I303-R324 PolarHBondContact O-NH1 3.15Å; I303-R324 VanDerWaalsContact O-NH1 3.13Å; R305-R324 VanDerWaalsContact CA-CZ 3.47Å; R305-R324 VanDerWaalsContact CB-NH2 3.29Å; L322-R324 HydrophobicContact CD1-CB 4.34Å; R324-E327 IonicContact CZ-OE1 2.69Å; R324-E327 IonicContact NH1-OE1 3.26Å; R324-E327 PolarHBondContact NH1-OE1 2.77Å; R324-E327 IonicContact NH2-OE1 3.28Å; R324-E327 PolarHBondContact NH2-OE1 3.41Å; R324-F333 CarbonylContact O-C 3.29Å; R324-F333 WeakPolarHBondContact O-CA 3.35Å; R324-S334 PolarHBondContact N-O 3.2Å; R324-S334 PolarHBondContact O-N 2.83Å; R324-S336 PolarHBondContact NE-OG 2.93Å |
| 325 | D | 77.8 | Confident | 75.6 | Confident | 36 Ų | 36 | 44.3 Ų | 44.3 | 19% | 0.193 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 149.1 | 172.5 | -60.3 | -15.6 | 0 | 0 | 0 | 109.9 | Y299 G301 N302 E327 F333 | Y299-D325 VanDerWaalsContact CE2-OD1 3.3Å; Y299-D325 WeakPolarHBondContact CE2-OD1 3.42Å; Y299-D325 PolarHBondContact OH-OD1 3.03Å; Y299-D325 PolarHBondContact OH-OD2 2.92Å; G301-D325 PolarHBondContact O-N 2.86Å; N302-D325 PolarHBondContact ND2-OD2 3.34Å; D325-E327 PolarHBondContact O-N 2.85Å; D325-F333 WeakPolarHBondContact OD1-CD1 3.31Å; D325-F333 VanDerWaalsContact OD1-CE1 3.3Å; D325-F333 WeakPolarHBondContact OD1-CE1 3.48Å |
| 326 | S | 70 | Confident | 76.2 | Confident | 12 Ų | 12 | 37.8 Ų | 37.8 | 8% | 0.084 | 22% | 0.218 | C | C | . | . | trans | -84.2 | 115.7 | -176.3 | -159.1 | 0 | 0 | 0 | 0 | 111.7 | S328 S329 D332 | S326-S328 PolarHBondContact O-N 2.82Å; S326-S328 VanDerWaalsContact O-N 3.16Å; S326-S329 CarbonylContact O-C 3.45Å; S326-S329 PolarHBondContact O-N 2.98Å; S326-S329 VanDerWaalsContact O-N 3.09Å; S326-D332 WeakPolarHBondContact CB-O 3.36Å; S326-D332 PolarHBondContact N-O 3.19Å | ||
| 327 | E | 61.6 | Low | 76.8 | Confident | 108 Ų | 108 | 37.3 Ų | 37.3 | 51% | 0.505 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -32.7 | 177.8 | -68.2 | 150.2 | -72.3 | 0 | 0 | 113.2 | T304 R305 R324 D325 | T304-E327 WeakPolarHBondContact CA-OE2 3.49Å; T304-E327 WeakPolarHBondContact CB-OE2 3.47Å; R305-E327 WeakPolarHBondContact CB-OE1 3.4Å; R305-E327 VanDerWaalsContact N-CD 3.25Å; R305-E327 PolarHBondContact N-OE1 3.21Å; R305-E327 PolarHBondContact N-OE2 3.35Å; R324-E327 IonicContact CZ-OE1 2.69Å; R324-E327 IonicContact NH1-OE1 3.26Å; R324-E327 PolarHBondContact NH1-OE1 2.77Å; R324-E327 IonicContact NH2-OE1 3.28Å; R324-E327 PolarHBondContact NH2-OE1 3.41Å; D325-E327 PolarHBondContact O-N 2.85Å |
| 328 | S | 51 | Low | 77.2 | Confident | 107 Ų | 107 | 33.2 Ų | 33.2 | 75% | 0.748 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -6.9 | -177.1 | -44.4 | 0 | 0 | 0 | 0 | 113.7 | S326 | S326-S328 PolarHBondContact O-N 2.82Å; S326-S328 VanDerWaalsContact O-N 3.16Å |
| 329 | S | 60.8 | Low | 77.3 | Confident | 26 Ų | 26 | 27.4 Ų | 27.4 | 18% | 0.182 | 17% | 0.167 | C | C | . | . | trans | -160.7 | 99.8 | -170.1 | -58.5 | 0 | 0 | 0 | 0 | 110.3 | S326 S331 D332 K347 | S326-S329 CarbonylContact O-C 3.45Å; S326-S329 PolarHBondContact O-N 2.98Å; S326-S329 VanDerWaalsContact O-N 3.09Å; S329-S331 PolarHBondContact O-N 3.13Å; S329-D332 VanDerWaalsContact CB-OD2 3.3Å; S329-D332 WeakPolarHBondContact CB-OD2 3.28Å; S329-D332 PolarHBondContact O-N 2.92Å; S329-K347 PolarHBondContact OG-NZ 2.91Å | ||
| 330 | P | 59.2 | Low | 77.2 | Confident | 139 Ų | 139 | 32.1 Ų | 32.1 | 90% | 0.903 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -5.3 | -171.5 | 26.1 | -34.9 | 0 | 0 | 0 | 115.1 | ||
| 331 | S | 68.6 | Low | 76.2 | Confident | 58 Ų | 58 | 40.8 Ų | 40.8 | 41% | 0.406 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -23 | 171.3 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | S329 L350 | S329-S331 PolarHBondContact O-N 3.13Å; S331-L350 WeakPolarHBondContact O-CB 3.26Å |
| 332 | D | 80.4 | Confident | 75.5 | Confident | 15 Ų | 15 | 46.5 Ų | 46.5 | 8% | 0.08 | 26% | 0.26 | C | S | . | . | trans | -102.9 | 166.8 | -166.8 | -64.1 | -19.9 | 0 | 0 | 0 | 111.8 | S326 S329 K347 V348 Q349 L350 | S326-D332 WeakPolarHBondContact CB-O 3.36Å; S326-D332 PolarHBondContact N-O 3.19Å; S329-D332 VanDerWaalsContact CB-OD2 3.3Å; S329-D332 WeakPolarHBondContact CB-OD2 3.28Å; S329-D332 PolarHBondContact O-N 2.92Å; D332-K347 WeakPolarHBondContact OD2-CE 3.37Å; D332-K347 IonicContact OD2-NZ 3.07Å; D332-K347 PolarHBondContact OD2-NZ 2.79Å; D332-V348 WeakPolarHBondContact CB-O 3.24Å; D332-Q349 WeakPolarHBondContact OD1-CA 3.25Å; D332-L350 PolarHBondContact OD1-N 3.13Å | ||
| 333 | F | 84.9 | Confident | 75.1 | Confident | 3 Ų | 3 | 47 Ų | 47 | 1% | 0.013 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 168.3 | 178.1 | -57.5 | -85.3 | 0 | 0 | 0 | 111 | F293 Y299 I323 R324 D325 V348 L350 Y355 M365 | F293-F333 HydrophobicContact CD2-CE1 4.09Å; F293-F333 HydrophobicContact CD2-CZ 4.35Å; F293-F333 HydrophobicContact CE2-CD1 4.26Å; F293-F333 AromaticContact CE2-CE1 3.73Å; F293-F333 HydrophobicContact CE2-CE1 3.73Å; F293-F333 HydrophobicContact CE2-CE2 4.06Å; F293-F333 AromaticContact CE2-CZ 3.62Å; F293-F333 HydrophobicContact CE2-CZ 3.62Å; F293-F333 HydrophobicContact CZ-CZ 4.44Å; Y299-F333 HydrophobicContact CE2-CD1 4.33Å; Y299-F333 HydrophobicContact CE2-CE1 4.23Å; I323-F333 HydrophobicContact CG2-CB 4.37Å; R324-F333 CarbonylContact O-C 3.29Å; R324-F333 WeakPolarHBondContact O-CA 3.35Å; D325-F333 WeakPolarHBondContact OD1-CD1 3.31Å; D325-F333 VanDerWaalsContact OD1-CE1 3.3Å; D325-F333 WeakPolarHBondContact OD1-CE1 3.48Å; F333-V348 HydrophobicContact CB-CB 4.22Å; F333-V348 PolarHBondContact N-O 3.32Å; F333-V348 PolarHBondContact O-N 2.83Å; F333-L350 HydrophobicContact CE2-CD2 4.46Å; F333-Y355 HydrophobicContact CD2-CD1 4.38Å; F333-Y355 HydrophobicContact CD2-CE1 4.06Å; F333-Y355 AromaticContact CE2-CE1 3.83Å; F333-Y355 HydrophobicContact CE2-CE1 3.83Å; F333-M365 HydrophobicContact CB-CE 3.7Å; F333-M365 HydrophobicContact CG-CE 4.16Å |
| 334 | S | 83 | Confident | 74.7 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.063 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 119.6 | 176 | -66.4 | 0 | 0 | 0 | 0 | 110.1 | R324 F346 | R324-S334 PolarHBondContact N-O 3.2Å; R324-S334 PolarHBondContact O-N 2.83Å; S334-F346 WeakPolarHBondContact CA-O 3.46Å |
| 335 | V | 88.4 | Confident | 74.6 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 121.3 | 169.4 | 179.3 | 0 | 0 | 0 | 0 | 107.4 | I323 H345 F346 V348 M365 L368 I377 L388 | I323-V335 HydrophobicContact CD1-CG2 4.35Å; I323-V335 HydrophobicContact CG1-CB 4.45Å; I323-V335 HydrophobicContact CG1-CG2 3.89Å; V335-H345 CarbonylContact O-C 3.58Å; V335-H345 WeakPolarHBondContact O-CA 3.4Å; V335-F346 HydrophobicContact CB-CB 4.4Å; V335-F346 PolarHBondContact N-O 2.91Å; V335-F346 PolarHBondContact O-N 2.88Å; V335-V348 HydrophobicContact CG2-CG2 3.65Å; V335-M365 HydrophobicContact CG2-CE 4.47Å; V335-L368 HydrophobicContact CG2-CD2 4.2Å; V335-I377 HydrophobicContact CG1-CD1 4.16Å; V335-L388 HydrophobicContact CG1-CD1 4.19Å; V335-L388 HydrophobicContact CG1-CD2 3.73Å |
| 336 | S | 84.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 125.6 | 175.9 | -51.9 | 0 | 0 | 0 | 0 | 108.3 | F321 L322 R324 H345 | F321-S336 CarbonylContact C-O 3.47Å; F321-S336 WeakPolarHBondContact CA-O 3.4Å; F321-S336 WeakPolarHBondContact CB-O 3.24Å; L322-S336 PolarHBondContact N-O 3.4Å; L322-S336 PolarHBondContact O-N 3.25Å; R324-S336 PolarHBondContact NE-OG 2.93Å; S336-H345 VanDerWaalsContact CB-ND1 3.33Å; S336-H345 WeakPolarHBondContact CB-ND1 3.27Å; S336-H345 PolarHBondContact OG-ND1 3.02Å |
| 337 | L | 86.9 | Confident | 75.3 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.4 | -170.7 | 174.9 | 63.4 | 0 | 0 | 0 | 110.4 | G319 D320 F321 N343 K344 F346 I377 L386 Y387 L388 | G319-L337 WeakPolarHBondContact O-CD1 3.23Å; D320-L337 WeakPolarHBondContact O-CA 3.25Å; D320-L337 WeakPolarHBondContact O-CD1 3.46Å; F321-L337 HydrophobicContact CB-CD1 4.01Å; L337-N343 CarbonylContact O-C 3.55Å; L337-N343 VanDerWaalsContact O-CA 3.27Å; L337-N343 WeakPolarHBondContact O-CA 3.42Å; L337-K344 PolarHBondContact N-O 3.19Å; L337-K344 PolarHBondContact O-N 3.08Å; L337-F346 HydrophobicContact CB-CE2 4.12Å; L337-F346 HydrophobicContact CD2-CE2 3.97Å; L337-I377 HydrophobicContact CD2-CG2 3.58Å; L337-L386 HydrophobicContact CD2-CB 3.82Å; L337-L386 HydrophobicContact CD2-CD1 4.35Å; L337-Y387 WeakPolarHBondContact CD1-O 3.41Å; L337-L388 HydrophobicContact CD1-CD2 4.03Å; L337-L388 HydrophobicContact CD2-CD2 4.19Å; L337-L388 HydrophobicContact CG-CD2 4.5Å |
| 338 | K | 84.1 | Confident | 76.4 | Confident | 39 Ų | 39 | 50.3 Ų | 50.3 | 17% | 0.17 | 27% | 0.272 | C | S | . | . | trans | -73.7 | 124.7 | 171.1 | -177.7 | 55.2 | 160 | 170.9 | 0 | 110 | L312 N313 G316 E317 G319 D320 N343 | L312-K338 HydrophobicContact CB-CB 4.43Å; L312-K338 HydrophobicContact CD2-CB 4.03Å; L312-K338 WeakPolarHBondContact O-CD 3.46Å; L312-K338 WeakPolarHBondContact O-CE 3.37Å; N313-K338 PolarHBondContact OD1-NZ 3.46Å; G316-K338 VanDerWaalsContact O-CE 3.26Å; G316-K338 WeakPolarHBondContact O-CE 3.4Å; E317-K338 VanDerWaalsContact O-CB 3.22Å; E317-K338 WeakPolarHBondContact O-CB 3.23Å; E317-K338 WeakPolarHBondContact O-CG 3Å; G319-K338 PolarHBondContact N-O 2.76Å; D320-K338 HydrophobicContact CB-CB 4.13Å; D320-K338 WeakPolarHBondContact O-CB 3.26Å; D320-K338 PolarHBondContact O-N 2.85Å; K338-N343 WeakPolarHBondContact CD-OD1 3.46Å | ||
| 339 | A | 77.6 | Confident | 77.8 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 5% | 0.05 | 26% | 0.258 | C | S | . | . | trans | -131 | 163.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | E341 K344 L386 | A339-E341 PolarHBondContact O-N 3.27Å; A339-K344 HydrophobicContact CB-CG 4.42Å; A339-L386 HydrophobicContact CB-CD1 3.75Å; A339-L386 HydrophobicContact CB-CD2 3.93Å | ||
| 340 | V | 71.4 | Confident | 78.5 | Confident | 103 Ų | 103 | 50 Ų | 50 | 62% | 0.624 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -56.1 | -53.8 | -169.6 | -174.6 | 0 | 0 | 0 | 0 | 112.9 | E318 | E318-V340 HydrophobicContact CG-CG2 3.96Å; E318-V340 VanDerWaalsContact OE2-CG2 3.3Å; E318-V340 WeakPolarHBondContact OE2-CG2 3.29Å |
| 341 | E | 64 | Low | 79.1 | Confident | 187 Ų | 187 | 46.2 Ų | 46.2 | 87% | 0.874 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -83.8 | -49 | 179.9 | -66.4 | -171.8 | 112.1 | 0 | 0 | 113.4 | A339 | A339-E341 PolarHBondContact O-N 3.27Š|
| 342 | K | 71.9 | Confident | 79.4 | Confident | 120 Ų | 120 | 51.6 Ų | 51.6 | 52% | 0.522 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -154.4 | 131.5 | -171.2 | -172.9 | 169.5 | -174.8 | 166.2 | 0 | 111.7 | K344 | K342-K344 PolarHBondContact O-N 2.92Š|
| 343 | N | 79.3 | Confident | 79.1 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 5% | 0.053 | 28% | 0.28 | C | S | . | . | trans | -55.1 | 134.1 | 176.5 | -58.1 | -11.2 | 0 | 0 | 0 | 110.7 | E309 N313 L337 K338 | E309-N343 HydrophobicContact CG-CB 4.45Å; E309-N343 PolarHBondContact O-ND2 2.82Å; N313-N343 PolarHBondContact OD1-ND2 3.16Å; N313-N343 PolarHBondContact OD1-OD1 3.13Å; L337-N343 CarbonylContact O-C 3.55Å; L337-N343 VanDerWaalsContact O-CA 3.27Å; L337-N343 WeakPolarHBondContact O-CA 3.42Å; K338-N343 WeakPolarHBondContact CD-OD1 3.46Å | ||
| 344 | K | 78.4 | Confident | 78.8 | Confident | 69 Ų | 69 | 55 Ų | 55 | 30% | 0.3 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 142.1 | -179.6 | -60.8 | -75.2 | -178.2 | 166.4 | 0 | 108.8 | L337 A339 K342 F346 Y378 L386 | L337-K344 PolarHBondContact N-O 3.19Å; L337-K344 PolarHBondContact O-N 3.08Å; A339-K344 HydrophobicContact CB-CG 4.42Å; K342-K344 PolarHBondContact O-N 2.92Å; K344-F346 HydrophobicContact CB-CE2 3.65Å; K344-F346 HydrophobicContact CB-CZ 3.61Å; K344-F346 HydrophobicContact CG-CZ 4.32Å; K344-Y378 PolarHBondContact NZ-OH 2.8Å; K344-L386 HydrophobicContact CG-CD1 3.84Å |
| 345 | H | 82.3 | Confident | 78.7 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 21% | 0.213 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 127.1 | 175.3 | -56.2 | -86.5 | 0 | 0 | 0 | 109.2 | R305 E309 V335 S336 | R305-H345 PolarHBondContact NE-CD2 3.17Å; E309-H345 WeakPolarHBondContact CG-NE2 3.47Å; E309-H345 IonicContact OE1-CD2 3.95Å; E309-H345 IonicContact OE1-NE2 3.2Å; E309-H345 PolarHBondContact OE1-NE2 3.1Å; E309-H345 VanDerWaalsContact OE1-NE2 3.07Å; V335-H345 CarbonylContact O-C 3.58Å; V335-H345 WeakPolarHBondContact O-CA 3.4Å; S336-H345 VanDerWaalsContact CB-ND1 3.33Å; S336-H345 WeakPolarHBondContact CB-ND1 3.27Å; S336-H345 PolarHBondContact OG-ND1 3.02Å |
| 346 | F | 83 | Confident | 78.1 | Confident | 34 Ų | 34 | 56.1 Ų | 56.1 | 15% | 0.149 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 120.3 | 179.8 | -50.7 | -85.7 | 0 | 0 | 0 | 108.7 | S334 V335 L337 K344 I357 I377 Y378 | S334-F346 WeakPolarHBondContact CA-O 3.46Å; V335-F346 HydrophobicContact CB-CB 4.4Å; V335-F346 PolarHBondContact N-O 2.91Å; V335-F346 PolarHBondContact O-N 2.88Å; L337-F346 HydrophobicContact CB-CE2 4.12Å; L337-F346 HydrophobicContact CD2-CE2 3.97Å; K344-F346 HydrophobicContact CB-CE2 3.65Å; K344-F346 HydrophobicContact CB-CZ 3.61Å; K344-F346 HydrophobicContact CG-CZ 4.32Å; F346-I357 HydrophobicContact CB-CD1 3.69Å; F346-I357 HydrophobicContact CB-CG1 4.32Å; F346-I357 HydrophobicContact CG-CD1 4.43Å; F346-I377 HydrophobicContact CB-CD1 4.38Å; F346-I377 HydrophobicContact CD1-CG1 4.29Å; F346-I377 HydrophobicContact CD2-CD1 3.63Å; F346-I377 HydrophobicContact CD2-CG1 4.05Å; F346-I377 HydrophobicContact CE1-CG1 4.38Å; F346-I377 HydrophobicContact CE2-CD1 4.03Å; F346-I377 HydrophobicContact CE2-CG1 4.15Å; F346-I377 HydrophobicContact CE2-CG2 3.85Å; F346-I377 HydrophobicContact CG-CD1 3.96Å; F346-I377 HydrophobicContact CG-CG1 4.13Å; F346-I377 HydrophobicContact CZ-CG1 4.31Å; F346-I377 HydrophobicContact CZ-CG2 3.96Å; F346-Y378 HydrophobicContact CE1-CD2 4.41Å; F346-Y378 HydrophobicContact CZ-CG 4.48Å |
| 347 | K | 79.8 | Confident | 78 | Confident | 84 Ų | 84 | 56.5 Ų | 56.5 | 37% | 0.365 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 131.8 | 175.1 | -170.7 | 174.3 | -179 | -173.9 | 0 | 109.4 | S329 D332 Q349 | S329-K347 PolarHBondContact OG-NZ 2.91Å; D332-K347 WeakPolarHBondContact OD2-CE 3.37Å; D332-K347 IonicContact OD2-NZ 3.07Å; D332-K347 PolarHBondContact OD2-NZ 2.79Å; K347-Q349 HydrophobicContact CD-CG 4.38Å; K347-Q349 HydrophobicContact CG-CG 4.45Å |
| 348 | V | 84.4 | Confident | 77.4 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 106.3 | 171.6 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | D332 F333 V335 Y355 C356 I357 M365 L368 | D332-V348 WeakPolarHBondContact CB-O 3.24Å; F333-V348 HydrophobicContact CB-CB 4.22Å; F333-V348 PolarHBondContact N-O 3.32Å; F333-V348 PolarHBondContact O-N 2.83Å; V335-V348 HydrophobicContact CG2-CG2 3.65Å; V348-Y355 HydrophobicContact CG1-CD1 4.13Å; V348-C356 CarbonylContact C-O 3.58Å; V348-C356 VanDerWaalsContact CA-O 3.31Å; V348-C356 WeakPolarHBondContact CA-O 3.45Å; V348-I357 HydrophobicContact CG2-CB 4.23Å; V348-I357 HydrophobicContact CG2-CD1 4.13Å; V348-M365 HydrophobicContact CB-CE 4.18Å; V348-M365 HydrophobicContact CG1-CE 4.13Å; V348-M365 HydrophobicContact CG1-SD 4.02Å; V348-M365 HydrophobicContact CG2-CE 4.05Å; V348-L368 HydrophobicContact CB-CD1 4.47Å; V348-L368 HydrophobicContact CG1-CD1 3.61Å; V348-L368 HydrophobicContact CG2-CD1 3.96Å |
| 349 | Q | 80.9 | Confident | 76.8 | Confident | 95 Ų | 95 | 68 Ų | 68 | 44% | 0.444 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 138.3 | 177 | -69.3 | 170.4 | -44.6 | 0 | 0 | 110 | D332 K347 C356 | D332-Q349 WeakPolarHBondContact OD1-CA 3.25Å; K347-Q349 HydrophobicContact CD-CG 4.38Å; K347-Q349 HydrophobicContact CG-CG 4.45Å; Q349-C356 HydrophobicContact CB-CB 4.35Å; Q349-C356 PolarHBondContact N-O 2.7Å; Q349-C356 PolarHBondContact O-N 2.89Å |
| 350 | L | 74.9 | Confident | 76.7 | Confident | 32 Ų | 32 | 73.6 Ų | 73.6 | 17% | 0.168 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 113 | 170.8 | -178.7 | 63.2 | 0 | 0 | 0 | 109.1 | S331 D332 F333 Y355 | S331-L350 WeakPolarHBondContact O-CB 3.26Å; D332-L350 PolarHBondContact OD1-N 3.13Å; F333-L350 HydrophobicContact CE2-CD2 4.46Å; L350-Y355 HydrophobicContact CD1-CD1 4.11Å; L350-Y355 HydrophobicContact CD1-CD2 4.35Å; L350-Y355 HydrophobicContact CD1-CE1 3.83Å; L350-Y355 HydrophobicContact CD1-CE2 4.07Å; L350-Y355 HydrophobicContact CD1-CG 4.34Å |
| 351 | S | 72.9 | Confident | 77.3 | Confident | 59 Ų | 59 | 77.3 Ų | 77.3 | 41% | 0.413 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 122.6 | -179.9 | -56.9 | 0 | 0 | 0 | 0 | 109.8 | G353 V354 | S351-G353 PolarHBondContact O-N 2.98Å; S351-V354 PolarHBondContact N-O 2.99Å; S351-V354 WeakPolarHBondContact O-CA 3.47Å; S351-V354 WeakPolarHBondContact O-CB 3.42Å; S351-V354 PolarHBondContact O-N 2.88Å |
| 352 | D | 75.3 | Confident | 78.3 | Confident | 172 Ų | 172 | 69.2 Ų | 69.2 | 92% | 0.92 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 38 | -179.2 | -139.5 | -98.8 | 0 | 0 | 0 | 113.8 | V354 | D352-V354 PolarHBondContact O-N 3.05Š|
| 353 | G | 72.4 | Confident | 78.8 | Confident | 51 Ų | 51 | 69.4 Ų | 69.4 | 53% | 0.526 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | -1.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | S351 | S351-G353 PolarHBondContact O-N 2.98Š|
| 354 | V | 79.8 | Confident | 78.8 | Confident | 37 Ų | 37 | 70.4 Ų | 70.4 | 22% | 0.224 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.7 | 179.4 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | S351 D352 R361 F362 | S351-V354 PolarHBondContact N-O 2.99Å; S351-V354 WeakPolarHBondContact O-CA 3.47Å; S351-V354 WeakPolarHBondContact O-CB 3.42Å; S351-V354 PolarHBondContact O-N 2.88Å; D352-V354 PolarHBondContact O-N 3.05Å; V354-R361 HydrophobicContact CG1-CB 3.88Å; V354-F362 WeakPolarHBondContact CG1-O 3.48Å |
| 355 | Y | 80.8 | Confident | 78.9 | Confident | 26 Ų | 26 | 67.2 Ų | 67.2 | 10% | 0.102 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 116.3 | 178.3 | -61.8 | -93.8 | 0 | 0 | 0 | 109.7 | F293 F333 V348 L350 R361 F362 M365 | F293-Y355 HydrophobicContact CE2-CE1 4.43Å; F293-Y355 AromaticContact CZ-CE1 3.89Å; F293-Y355 HydrophobicContact CZ-CE1 3.89Å; F293-Y355 AromaticContact CZ-CZ 3.89Å; F293-Y355 WeakPolarHBondContact CZ-OH 3.26Å; F333-Y355 HydrophobicContact CD2-CD1 4.38Å; F333-Y355 HydrophobicContact CD2-CE1 4.06Å; F333-Y355 AromaticContact CE2-CE1 3.83Å; F333-Y355 HydrophobicContact CE2-CE1 3.83Å; V348-Y355 HydrophobicContact CG1-CD1 4.13Å; L350-Y355 HydrophobicContact CD1-CD1 4.11Å; L350-Y355 HydrophobicContact CD1-CD2 4.35Å; L350-Y355 HydrophobicContact CD1-CE1 3.83Å; L350-Y355 HydrophobicContact CD1-CE2 4.07Å; L350-Y355 HydrophobicContact CD1-CG 4.34Å; Y355-R361 CarbonylContact O-C 3.56Å; Y355-R361 WeakPolarHBondContact O-CA 3.22Å; Y355-F362 PolarHBondContact N-O 2.93Å; Y355-F362 PolarHBondContact O-N 2.99Å; Y355-M365 HydrophobicContact CD1-CB 4.34Å; Y355-M365 HydrophobicContact CD1-SD 3.75Å; Y355-M365 HydrophobicContact CE1-CB 4.25Å; Y355-M365 HydrophobicContact CE1-SD 4.28Å; Y355-M365 HydrophobicContact CG-SD 4.36Å |
| 356 | C | 75.5 | Confident | 78.8 | Confident | 8 Ų | 8 | 67.5 Ų | 67.5 | 5% | 0.054 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130.9 | -174.2 | -58 | 0 | 0 | 0 | 0 | 110.7 | V348 Q349 R360 R361 | V348-C356 CarbonylContact C-O 3.58Å; V348-C356 VanDerWaalsContact CA-O 3.31Å; V348-C356 WeakPolarHBondContact CA-O 3.45Å; Q349-C356 HydrophobicContact CB-CB 4.35Å; Q349-C356 PolarHBondContact N-O 2.7Å; Q349-C356 PolarHBondContact O-N 2.89Å; C356-R360 WeakPolarHBondContact CA-O 3.25Å; C356-R361 PolarHBondContact SG-NH1 2.74Å; C356-R361 VanDerWaalsContact SG-NH1 3.37Å |
| 357 | I | 81.7 | Confident | 78.7 | Confident | 8 Ų | 8 | 70.3 Ų | 70.3 | 4% | 0.041 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 113.3 | -179.9 | 174.9 | 175.1 | 0 | 0 | 0 | 109.4 | F346 V348 Q359 R360 F362 L368 Y372 I377 | F346-I357 HydrophobicContact CB-CD1 3.69Å; F346-I357 HydrophobicContact CB-CG1 4.32Å; F346-I357 HydrophobicContact CG-CD1 4.43Å; V348-I357 HydrophobicContact CG2-CB 4.23Å; V348-I357 HydrophobicContact CG2-CD1 4.13Å; I357-Q359 PolarHBondContact O-N 3.35Å; I357-R360 PolarHBondContact N-O 3.07Å; I357-R360 PolarHBondContact O-N 3.28Å; I357-F362 HydrophobicContact CG2-CD2 4.05Å; I357-F362 HydrophobicContact CG2-CE2 3.63Å; I357-L368 HydrophobicContact CB-CD1 4.33Å; I357-L368 HydrophobicContact CG2-CD1 3.62Å; I357-L368 HydrophobicContact CG2-CG 4.05Å; I357-Y372 HydrophobicContact CD1-CE2 4.17Å; I357-Y372 HydrophobicContact CG2-CE2 3.59Å; I357-I377 HydrophobicContact CD1-CD1 3.76Å; I357-I377 HydrophobicContact CD1-CG1 4.09Å |
| 358 | G | 74.6 | Confident | 79 | Confident | 78 Ų | 78 | 66.3 Ų | 66.3 | 80% | 0.804 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | -118.8 | -166.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 359 | Q | 71.6 | Confident | 79 | Confident | 203 Ų | 203 | 66.5 Ų | 66.5 | 95% | 0.949 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -4.2 | 177.8 | -65.4 | -179.7 | -10.7 | 0 | 0 | 114 | I357 | I357-Q359 PolarHBondContact O-N 3.35Š|
| 360 | R | 75 | Confident | 78.9 | Confident | 123 Ų | 123 | 66.8 Ų | 66.8 | 46% | 0.464 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 150.7 | -178.1 | -61.6 | -165.9 | -173.1 | -103.5 | -5.1 | 111.6 | C356 I357 F362 H371 Y372 | C356-R360 WeakPolarHBondContact CA-O 3.25Å; I357-R360 PolarHBondContact N-O 3.07Å; I357-R360 PolarHBondContact O-N 3.28Å; R360-F362 HydrophobicContact CB-CE2 3.59Å; R360-F362 HydrophobicContact CB-CZ 3.84Å; R360-H371 PolarHBondContact NH1-NE2 2.9Å; R360-Y372 WeakPolarHBondContact CD-OH 3.42Å |
| 361 | R | 84.7 | Confident | 79.3 | Confident | 181 Ų | 181 | 69.2 Ų | 69.2 | 68% | 0.683 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 138.9 | -177 | -61.3 | -176.1 | 176.8 | -97.4 | 2.8 | 109.3 | V354 Y355 C356 | V354-R361 HydrophobicContact CG1-CB 3.88Å; Y355-R361 CarbonylContact O-C 3.56Å; Y355-R361 WeakPolarHBondContact O-CA 3.22Å; C356-R361 PolarHBondContact SG-NH1 2.74Å; C356-R361 VanDerWaalsContact SG-NH1 3.37Å |
| 362 | F | 85.5 | Confident | 79.7 | Confident | 17 Ų | 17 | 67 Ų | 67 | 8% | 0.075 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 143.6 | -175.5 | -58.4 | -83.4 | 0 | 0 | 0 | 110.4 | V354 Y355 I357 R360 E367 L368 H371 Y372 | V354-F362 WeakPolarHBondContact CG1-O 3.48Å; Y355-F362 PolarHBondContact N-O 2.93Å; Y355-F362 PolarHBondContact O-N 2.99Å; I357-F362 HydrophobicContact CG2-CD2 4.05Å; I357-F362 HydrophobicContact CG2-CE2 3.63Å; R360-F362 HydrophobicContact CB-CE2 3.59Å; R360-F362 HydrophobicContact CB-CZ 3.84Å; F362-E367 HydrophobicContact CB-CB 4.4Å; F362-E367 HydrophobicContact CD1-CB 4.3Å; F362-L368 HydrophobicContact CB-CB 4.03Å; F362-L368 HydrophobicContact CD1-CB 4.32Å; F362-L368 HydrophobicContact CD2-CB 3.76Å; F362-L368 HydrophobicContact CD2-CD1 3.84Å; F362-L368 HydrophobicContact CD2-CG 3.74Å; F362-L368 HydrophobicContact CE2-CB 4.31Å; F362-L368 HydrophobicContact CE2-CD1 4.35Å; F362-L368 HydrophobicContact CE2-CG 3.98Å; F362-L368 HydrophobicContact CG-CB 3.76Å; F362-L368 HydrophobicContact CG-CG 4.27Å; F362-H371 HydrophobicContact CD1-CB 4.35Å; F362-H371 HydrophobicContact CE1-CB 3.45Å; F362-H371 VanDerWaalsContact CE1-CB 3.45Å; F362-H371 AromaticContact CE1-CD2 3.84Å; F362-H371 AromaticContact CE1-CG 3.5Å; F362-H371 HydrophobicContact CZ-CB 3.96Å; F362-H371 AromaticContact CZ-CD2 3.6Å; F362-H371 AromaticContact CZ-CG 3.78Å; F362-Y372 HydrophobicContact CE2-CD2 4.47Å; F362-Y372 AromaticContact CE2-CE2 3.63Å; F362-Y372 HydrophobicContact CE2-CE2 3.63Å; F362-Y372 HydrophobicContact CZ-CD2 4.33Å; F362-Y372 AromaticContact CZ-CE2 3.7Å; F362-Y372 HydrophobicContact CZ-CE2 3.7Å |
| 363 | N | 81.5 | Confident | 79.9 | Confident | 124 Ų | 124 | 63.2 Ų | 63.2 | 66% | 0.663 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -83.5 | -16.6 | -178.3 | -69 | 82.2 | 0 | 0 | 0 | 112.2 | E367 | N363-E367 WeakPolarHBondContact CA-OE2 3.13Å; N363-E367 WeakPolarHBondContact CB-OE2 3.33Å; N363-E367 PolarHBondContact N-OE2 2.88Å |
| 364 | S | 80.5 | Confident | 80 | Confident | 32 Ų | 32 | 68 Ų | 68 | 22% | 0.224 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -141.3 | 160.5 | 169.8 | 67.6 | 0 | 0 | 0 | 0 | 112.7 | D366 E367 L368 | S364-D366 PolarHBondContact O-N 3.13Å; S364-E367 PolarHBondContact N-OE2 3.35Å; S364-E367 PolarHBondContact O-N 2.83Å; S364-E367 WeakPolarHBondContact OG-CB 3.39Å; S364-E367 VanDerWaalsContact OG-CG 3.31Å; S364-E367 WeakPolarHBondContact OG-CG 3.49Å; S364-E367 PolarHBondContact OG-N 2.95Å; S364-E367 VanDerWaalsContact OG-N 3.12Å; S364-L368 PolarHBondContact O-N 2.88Å |
| 365 | M | 79.1 | Confident | 79.9 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68 | -27.1 | 173.1 | -160.3 | 64.1 | 157.4 | 0 | 0 | 111.9 | F293 W298 I323 F333 V335 V348 Y355 L368 V369 | F293-M365 HydrophobicContact CE1-CB 3.91Å; F293-M365 HydrophobicContact CE2-CB 4.13Å; F293-M365 HydrophobicContact CE2-CG 4.15Å; F293-M365 HydrophobicContact CZ-CB 3.57Å; F293-M365 HydrophobicContact CZ-CG 4.1Å; W298-M365 HydrophobicContact CH2-CB 3.87Å; W298-M365 HydrophobicContact CH2-CG 3.59Å; W298-M365 HydrophobicContact CZ2-CG 4.47Å; W298-M365 HydrophobicContact CZ3-CG 3.93Å; I323-M365 HydrophobicContact CB-CE 4.4Å; I323-M365 HydrophobicContact CD1-CE 3.87Å; I323-M365 HydrophobicContact CD1-CG 4.22Å; I323-M365 HydrophobicContact CG1-CE 4.1Å; I323-M365 HydrophobicContact CG2-CE 3.4Å; F333-M365 HydrophobicContact CB-CE 3.7Å; F333-M365 HydrophobicContact CG-CE 4.16Å; V335-M365 HydrophobicContact CG2-CE 4.47Å; V348-M365 HydrophobicContact CB-CE 4.18Å; V348-M365 HydrophobicContact CG1-CE 4.13Å; V348-M365 HydrophobicContact CG1-SD 4.02Å; V348-M365 HydrophobicContact CG2-CE 4.05Å; Y355-M365 HydrophobicContact CD1-CB 4.34Å; Y355-M365 HydrophobicContact CD1-SD 3.75Å; Y355-M365 HydrophobicContact CE1-CB 4.25Å; Y355-M365 HydrophobicContact CE1-SD 4.28Å; Y355-M365 HydrophobicContact CG-SD 4.36Å; M365-L368 WeakPolarHBondContact O-CB 3.38Å; M365-L368 PolarHBondContact O-N 2.91Å; M365-L368 HydrophobicContact SD-CD1 4Å; M365-L368 HydrophobicContact SD-CD2 4.5Å; M365-V369 WeakPolarHBondContact O-CG2 3.13Å; M365-V369 PolarHBondContact O-N 2.76Å |
| 366 | D | 81.3 | Confident | 79.9 | Confident | 53 Ų | 53 | 67.9 Ų | 67.9 | 28% | 0.283 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.8 | -44.9 | 174.5 | -54.8 | -85.9 | 0 | 0 | 0 | 111.7 | R296 S364 L368 V369 E370 | R296-D366 VanDerWaalsContact CZ-CG 3.44Å; R296-D366 IonicContact CZ-OD1 3.01Å; R296-D366 IonicContact CZ-OD2 3.08Å; R296-D366 IonicContact NE-OD1 3.64Å; R296-D366 IonicContact NH1-OD1 2.85Å; R296-D366 PolarHBondContact NH1-OD1 3.48Å; R296-D366 IonicContact NH1-OD2 3.28Å; R296-D366 PolarHBondContact NH1-OD2 2.85Å; R296-D366 VanDerWaalsContact NH2-CG 3.28Å; R296-D366 IonicContact NH2-OD1 3.14Å; R296-D366 PolarHBondContact NH2-OD1 2.78Å; R296-D366 VanDerWaalsContact NH2-OD1 3.14Å; R296-D366 IonicContact NH2-OD2 2.74Å; R296-D366 PolarHBondContact NH2-OD2 3.33Å; S364-D366 PolarHBondContact O-N 3.13Å; D366-L368 VanDerWaalsContact C-N 3.31Å; D366-L368 PolarHBondContact O-N 3.38Å; D366-V369 PolarHBondContact O-N 2.78Å; D366-E370 VanDerWaalsContact O-CB 3.28Å; D366-E370 WeakPolarHBondContact O-CB 3.46Å; D366-E370 WeakPolarHBondContact O-CG 3.47Å; D366-E370 PolarHBondContact O-N 2.83Å |
| 367 | E | 80.3 | Confident | 80.1 | Confident | 93 Ų | 93 | 68.4 Ų | 68.4 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 173.6 | -78.1 | 170.8 | 179.9 | 0 | 0 | 112.1 | F362 N363 S364 H371 | F362-E367 HydrophobicContact CB-CB 4.4Å; F362-E367 HydrophobicContact CD1-CB 4.3Å; N363-E367 WeakPolarHBondContact CA-OE2 3.13Å; N363-E367 WeakPolarHBondContact CB-OE2 3.33Å; N363-E367 PolarHBondContact N-OE2 2.88Å; S364-E367 PolarHBondContact N-OE2 3.35Å; S364-E367 PolarHBondContact O-N 2.83Å; S364-E367 WeakPolarHBondContact OG-CB 3.39Å; S364-E367 VanDerWaalsContact OG-CG 3.31Å; S364-E367 WeakPolarHBondContact OG-CG 3.49Å; S364-E367 PolarHBondContact OG-N 2.95Å; S364-E367 VanDerWaalsContact OG-N 3.12Å; E367-H371 WeakPolarHBondContact O-CB 3.39Å; E367-H371 PolarHBondContact O-N 2.81Å |
| 368 | L | 86.6 | Confident | 80 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.8 | -49.9 | 174.1 | -175.1 | 158.7 | 0 | 0 | 0 | 110.2 | V335 V348 I357 F362 S364 M365 D366 H371 Y372 | V335-L368 HydrophobicContact CG2-CD2 4.2Å; V348-L368 HydrophobicContact CB-CD1 4.47Å; V348-L368 HydrophobicContact CG1-CD1 3.61Å; V348-L368 HydrophobicContact CG2-CD1 3.96Å; I357-L368 HydrophobicContact CB-CD1 4.33Å; I357-L368 HydrophobicContact CG2-CD1 3.62Å; I357-L368 HydrophobicContact CG2-CG 4.05Å; F362-L368 HydrophobicContact CB-CB 4.03Å; F362-L368 HydrophobicContact CD1-CB 4.32Å; F362-L368 HydrophobicContact CD2-CB 3.76Å; F362-L368 HydrophobicContact CD2-CD1 3.84Å; F362-L368 HydrophobicContact CD2-CG 3.74Å; F362-L368 HydrophobicContact CE2-CB 4.31Å; F362-L368 HydrophobicContact CE2-CD1 4.35Å; F362-L368 HydrophobicContact CE2-CG 3.98Å; F362-L368 HydrophobicContact CG-CB 3.76Å; F362-L368 HydrophobicContact CG-CG 4.27Å; S364-L368 PolarHBondContact O-N 2.88Å; M365-L368 WeakPolarHBondContact O-CB 3.38Å; M365-L368 PolarHBondContact O-N 2.91Å; M365-L368 HydrophobicContact SD-CD1 4Å; M365-L368 HydrophobicContact SD-CD2 4.5Å; D366-L368 VanDerWaalsContact C-N 3.31Å; D366-L368 PolarHBondContact O-N 3.38Å; L368-H371 PolarHBondContact O-N 2.95Å; L368-Y372 HydrophobicContact CD2-CD2 3.94Å; L368-Y372 HydrophobicContact CD2-CE2 4.35Å; L368-Y372 HydrophobicContact CG-CD2 4.1Å; L368-Y372 HydrophobicContact CG-CE2 4.16Å; L368-Y372 WeakPolarHBondContact O-CD2 3.38Å; L368-Y372 PolarHBondContact O-N 2.8Å |
| 369 | V | 84.3 | Confident | 80.1 | Confident | 4 Ų | 4 | 71.6 Ų | 71.6 | 2% | 0.024 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.5 | -46.2 | 178.9 | 169.4 | 0 | 0 | 0 | 0 | 112.1 | F321 I323 M365 D366 H371 Y372 K373 L388 | F321-V369 HydrophobicContact CE2-CG1 3.85Å; F321-V369 HydrophobicContact CE2-CG2 3.98Å; F321-V369 HydrophobicContact CZ-CG1 3.49Å; F321-V369 VanDerWaalsContact CZ-CG1 3.49Å; F321-V369 HydrophobicContact CZ-CG2 4.47Å; I323-V369 HydrophobicContact CD1-CG2 3.49Å; I323-V369 VanDerWaalsContact CD1-CG2 3.49Å; M365-V369 WeakPolarHBondContact O-CG2 3.13Å; M365-V369 PolarHBondContact O-N 2.76Å; D366-V369 PolarHBondContact O-N 2.78Å; V369-H371 VanDerWaalsContact C-N 3.32Å; V369-H371 PolarHBondContact O-N 2.82Å; V369-Y372 PolarHBondContact O-N 2.68Å; V369-K373 HydrophobicContact CG1-CD 4.21Å; V369-K373 WeakPolarHBondContact O-CB 3.22Å; V369-K373 WeakPolarHBondContact O-CG 3.25Å; V369-K373 PolarHBondContact O-N 3.41Å; V369-L388 HydrophobicContact CG2-CD1 4.45Å |
| 370 | E | 79.8 | Confident | 80 | Confident | 100 Ų | 100 | 62.7 Ų | 62.7 | 47% | 0.467 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59 | -39.3 | 174.9 | -86.4 | -95.6 | 133.9 | 0 | 0 | 112.7 | D366 K374 | D366-E370 VanDerWaalsContact O-CB 3.28Å; D366-E370 WeakPolarHBondContact O-CB 3.46Å; D366-E370 WeakPolarHBondContact O-CG 3.47Å; D366-E370 PolarHBondContact O-N 2.83Å; E370-K374 IonicContact OE2-NZ 2.7Å; E370-K374 PolarHBondContact OE2-NZ 3.32Å |
| 371 | H | 81.6 | Confident | 79.7 | Confident | 83 Ų | 83 | 64.6 Ų | 64.6 | 38% | 0.384 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68 | -48.7 | 177.6 | -176.8 | 84.8 | 0 | 0 | 0 | 110.7 | R360 F362 E367 L368 V369 K373 K374 A375 | R360-H371 PolarHBondContact NH1-NE2 2.9Å; F362-H371 HydrophobicContact CD1-CB 4.35Å; F362-H371 HydrophobicContact CE1-CB 3.45Å; F362-H371 VanDerWaalsContact CE1-CB 3.45Å; F362-H371 AromaticContact CE1-CD2 3.84Å; F362-H371 AromaticContact CE1-CG 3.5Å; F362-H371 HydrophobicContact CZ-CB 3.96Å; F362-H371 AromaticContact CZ-CD2 3.6Å; F362-H371 AromaticContact CZ-CG 3.78Å; E367-H371 WeakPolarHBondContact O-CB 3.39Å; E367-H371 PolarHBondContact O-N 2.81Å; L368-H371 PolarHBondContact O-N 2.95Å; V369-H371 VanDerWaalsContact C-N 3.32Å; V369-H371 PolarHBondContact O-N 2.82Å; H371-K373 VanDerWaalsContact C-N 3.27Å; H371-K373 PolarHBondContact O-N 3.01Å; H371-K374 CarbonylContact O-C 3.46Å; H371-K374 PolarHBondContact O-N 3.18Å; H371-A375 PolarHBondContact O-N 2.75Å |
| 372 | Y | 82.1 | Confident | 78.9 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 5% | 0.047 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -80 | -4.8 | -178.3 | -70.1 | -66.5 | 0 | 0 | 0 | 114.9 | I357 R360 F362 L368 V369 A375 I377 L388 | I357-Y372 HydrophobicContact CD1-CE2 4.17Å; I357-Y372 HydrophobicContact CG2-CE2 3.59Å; R360-Y372 WeakPolarHBondContact CD-OH 3.42Å; F362-Y372 HydrophobicContact CE2-CD2 4.47Å; F362-Y372 AromaticContact CE2-CE2 3.63Å; F362-Y372 HydrophobicContact CE2-CE2 3.63Å; F362-Y372 HydrophobicContact CZ-CD2 4.33Å; F362-Y372 AromaticContact CZ-CE2 3.7Å; F362-Y372 HydrophobicContact CZ-CE2 3.7Å; L368-Y372 HydrophobicContact CD2-CD2 3.94Å; L368-Y372 HydrophobicContact CD2-CE2 4.35Å; L368-Y372 HydrophobicContact CG-CD2 4.1Å; L368-Y372 HydrophobicContact CG-CE2 4.16Å; L368-Y372 WeakPolarHBondContact O-CD2 3.38Å; L368-Y372 PolarHBondContact O-N 2.8Å; V369-Y372 PolarHBondContact O-N 2.68Å; Y372-A375 CarbonylContact C-O 3.55Å; Y372-A375 VanDerWaalsContact CA-O 3.26Å; Y372-A375 WeakPolarHBondContact CA-O 3.42Å; Y372-A375 VanDerWaalsContact O-O 3.06Å; Y372-I377 HydrophobicContact CD1-CB 3.52Å; Y372-I377 HydrophobicContact CD1-CD1 4.49Å; Y372-I377 HydrophobicContact CD1-CG1 3.81Å; Y372-I377 HydrophobicContact CD2-CD1 4.31Å; Y372-I377 HydrophobicContact CD2-CG1 4.37Å; Y372-I377 HydrophobicContact CE1-CB 3.99Å; Y372-I377 HydrophobicContact CE1-CG1 3.93Å; Y372-I377 HydrophobicContact CG-CB 3.93Å; Y372-I377 HydrophobicContact CG-CD1 4.17Å; Y372-I377 HydrophobicContact CG-CG1 4Å; Y372-L388 PolarHBondContact O-N 3.03Å |
| 373 | K | 80 | Confident | 78.2 | Confident | 94 Ų | 94 | 65.6 Ų | 65.6 | 41% | 0.409 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.7 | -33.5 | 157.6 | -85.4 | 167.5 | 175.2 | -173.2 | 0 | 112.5 | V369 H371 L388 | V369-K373 HydrophobicContact CG1-CD 4.21Å; V369-K373 WeakPolarHBondContact O-CB 3.22Å; V369-K373 WeakPolarHBondContact O-CG 3.25Å; V369-K373 PolarHBondContact O-N 3.41Å; H371-K373 VanDerWaalsContact C-N 3.27Å; H371-K373 PolarHBondContact O-N 3.01Å; K373-L388 WeakPolarHBondContact CG-O 3.26Å |
| 374 | K | 74.8 | Confident | 77.8 | Confident | 151 Ų | 151 | 64.5 Ų | 64.5 | 66% | 0.657 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -102.3 | -28.5 | -173.2 | -64 | 164.6 | -169.9 | 156 | 0 | 112.9 | E370 H371 | E370-K374 IonicContact OE2-NZ 2.7Å; E370-K374 PolarHBondContact OE2-NZ 3.32Å; H371-K374 CarbonylContact O-C 3.46Å; H371-K374 PolarHBondContact O-N 3.18Å |
| 375 | A | 77.6 | Confident | 77.7 | Confident | 19 Ų | 19 | 68.6 Ų | 68.6 | 16% | 0.157 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -120 | 146.6 | 179 | 0 | 0 | 0 | 0 | 0 | 110.6 | H371 Y372 I377 | H371-A375 PolarHBondContact O-N 2.75Å; Y372-A375 CarbonylContact C-O 3.55Å; Y372-A375 VanDerWaalsContact CA-O 3.26Å; Y372-A375 WeakPolarHBondContact CA-O 3.42Å; Y372-A375 VanDerWaalsContact O-O 3.06Å; A375-I377 PolarHBondContact O-N 2.78Å |
| 376 | P | 80 | Confident | 77.6 | Confident | 41 Ų | 41 | 69.3 Ų | 69.3 | 27% | 0.266 | 35% | 0.349 | S | S | . | . | trans | -68.7 | 132.8 | -178.5 | 27.9 | -34 | 0 | 0 | 0 | 111.5 | Y378 K385 L386 Y387 | P376-Y378 VanDerWaalsContact C-N 3.33Å; P376-K385 HydrophobicContact CB-CB 3.94Å; P376-K385 HydrophobicContact CB-CG 4.19Å; P376-K385 HydrophobicContact CG-CD 4.34Å; P376-K385 HydrophobicContact CG-CG 4.34Å; P376-L386 CarbonylContact C-O 3.57Å; P376-L386 WeakPolarHBondContact CA-O 3.27Å; P376-Y387 HydrophobicContact CB-CD1 4.38Å; P376-Y387 HydrophobicContact CB-CE1 4Å; P376-Y387 HydrophobicContact CB-CE2 4.36Å; P376-Y387 HydrophobicContact CG-CE1 4.36Å | ||
| 377 | I | 80.8 | Confident | 77.7 | Confident | 20 Ų | 20 | 70.4 Ų | 70.4 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -77.1 | -25.1 | 173.4 | -164.9 | 168.6 | 0 | 0 | 0 | 111.9 | V335 L337 F346 I357 Y372 A375 L386 L388 | V335-I377 HydrophobicContact CG1-CD1 4.16Å; L337-I377 HydrophobicContact CD2-CG2 3.58Å; F346-I377 HydrophobicContact CB-CD1 4.38Å; F346-I377 HydrophobicContact CD1-CG1 4.29Å; F346-I377 HydrophobicContact CD2-CD1 3.63Å; F346-I377 HydrophobicContact CD2-CG1 4.05Å; F346-I377 HydrophobicContact CE1-CG1 4.38Å; F346-I377 HydrophobicContact CE2-CD1 4.03Å; F346-I377 HydrophobicContact CE2-CG1 4.15Å; F346-I377 HydrophobicContact CE2-CG2 3.85Å; F346-I377 HydrophobicContact CG-CD1 3.96Å; F346-I377 HydrophobicContact CG-CG1 4.13Å; F346-I377 HydrophobicContact CZ-CG1 4.31Å; F346-I377 HydrophobicContact CZ-CG2 3.96Å; I357-I377 HydrophobicContact CD1-CD1 3.76Å; I357-I377 HydrophobicContact CD1-CG1 4.09Å; Y372-I377 HydrophobicContact CD1-CB 3.52Å; Y372-I377 HydrophobicContact CD1-CD1 4.49Å; Y372-I377 HydrophobicContact CD1-CG1 3.81Å; Y372-I377 HydrophobicContact CD2-CD1 4.31Å; Y372-I377 HydrophobicContact CD2-CG1 4.37Å; Y372-I377 HydrophobicContact CE1-CB 3.99Å; Y372-I377 HydrophobicContact CE1-CG1 3.93Å; Y372-I377 HydrophobicContact CG-CB 3.93Å; Y372-I377 HydrophobicContact CG-CD1 4.17Å; Y372-I377 HydrophobicContact CG-CG1 4Å; A375-I377 PolarHBondContact O-N 2.78Å; I377-L386 HydrophobicContact CG2-CB 4.44Å; I377-L386 PolarHBondContact N-O 2.89Å; I377-L388 HydrophobicContact CD1-CD1 4.26Å; I377-L388 HydrophobicContact CD1-CD2 3.9Å; I377-L388 HydrophobicContact CD1-CG 4.21Å; I377-L388 HydrophobicContact CG2-CD2 4.27Å |
| 378 | Y | 78.6 | Confident | 77.8 | Confident | 78 Ų | 78 | 66 Ų | 66 | 31% | 0.306 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 142.2 | 174.7 | 177.1 | -100.2 | 0 | 0 | 0 | 110.1 | K344 F346 P376 L386 | K344-Y378 PolarHBondContact NZ-OH 2.8Å; F346-Y378 HydrophobicContact CE1-CD2 4.41Å; F346-Y378 HydrophobicContact CZ-CG 4.48Å; P376-Y378 VanDerWaalsContact C-N 3.33Å; Y378-L386 HydrophobicContact CD1-CD1 3.74Å; Y378-L386 HydrophobicContact CD1-CG 4.16Å; Y378-L386 HydrophobicContact CG-CD1 4.37Å; Y378-L386 PolarHBondContact O-N 3.4Å |
| 379 | T | 76.5 | Confident | 77.4 | Confident | 75 Ų | 75 | 70.3 Ų | 70.3 | 46% | 0.46 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 125.2 | 167.8 | -51.3 | 0 | 0 | 0 | 0 | 107.7 | E384 K385 | T379-E384 CarbonylContact C-O 3.55Å; T379-E384 VanDerWaalsContact CA-O 3.29Å; T379-E384 WeakPolarHBondContact CA-O 3.15Å; T379-K385 HydrophobicContact CG2-CG 4.02Å |
| 380 | S | 69.6 | Low | 77.2 | Confident | 16 Ų | 16 | 74.3 Ų | 74.3 | 11% | 0.112 | 37% | 0.372 | C | S | . | . | trans | -74.4 | 152.8 | 174.2 | -173.8 | 0 | 0 | 0 | 0 | 110.1 | H382 G383 E384 | S380-H382 PolarHBondContact O-N 2.9Å; S380-G383 WeakPolarHBondContact O-CA 3.36Å; S380-G383 PolarHBondContact O-N 3.25Å; S380-E384 WeakPolarHBondContact CB-OE2 3.25Å; S380-E384 PolarHBondContact N-O 2.87Å; S380-E384 PolarHBondContact OG-OE2 3Å | ||
| 381 | D | 68.4 | Low | 77.1 | Confident | 163 Ų | 163 | 70.5 Ų | 70.5 | 87% | 0.872 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.6 | 172.8 | -62.9 | -51.2 | 0 | 0 | 0 | 111.9 | G383 | D381-G383 PolarHBondContact O-N 3.14Š|
| 382 | H | 68.2 | Low | 76.8 | Confident | 172 Ų | 172 | 66.7 Ų | 66.7 | 80% | 0.796 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 2.7 | 172.4 | -60.1 | -53.5 | 0 | 0 | 0 | 114 | S380 | S380-H382 PolarHBondContact O-N 2.9Š|
| 383 | G | 71.2 | Confident | 75.7 | Confident | 47 Ų | 47 | 72.8 Ų | 72.8 | 49% | 0.485 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 88.4 | -3.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S380 D381 | S380-G383 WeakPolarHBondContact O-CA 3.36Å; S380-G383 PolarHBondContact O-N 3.25Å; D381-G383 PolarHBondContact O-N 3.14Å |
| 384 | E | 72 | Confident | 75.5 | Confident | 100 Ų | 100 | 71.8 Ų | 71.8 | 47% | 0.467 | 37% | 0.371 | S | S | . | . | trans | -63.6 | 136.9 | 175.5 | -53.5 | 166.5 | 109.6 | 0 | 0 | 110.6 | T379 S380 | T379-E384 CarbonylContact C-O 3.55Å; T379-E384 VanDerWaalsContact CA-O 3.29Å; T379-E384 WeakPolarHBondContact CA-O 3.15Å; S380-E384 WeakPolarHBondContact CB-OE2 3.25Å; S380-E384 PolarHBondContact N-O 2.87Å; S380-E384 PolarHBondContact OG-OE2 3Å | ||
| 385 | K | 78.6 | Confident | 75.6 | Confident | 118 Ų | 118 | 67.6 Ų | 67.6 | 51% | 0.513 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 115.6 | -175.7 | -75.1 | 175.2 | -172.6 | 172.9 | 0 | 109.2 | P376 T379 Y387 | P376-K385 HydrophobicContact CB-CB 3.94Å; P376-K385 HydrophobicContact CB-CG 4.19Å; P376-K385 HydrophobicContact CG-CD 4.34Å; P376-K385 HydrophobicContact CG-CG 4.34Å; T379-K385 HydrophobicContact CG2-CG 4.02Å; K385-Y387 HydrophobicContact CB-CD2 4.41Å; K385-Y387 HydrophobicContact CB-CE2 3.51Å; K385-Y387 VanDerWaalsContact O-CD2 3.27Å; K385-Y387 WeakPolarHBondContact O-CD2 3.02Å; K385-Y387 VanDerWaalsContact O-CE2 3.3Å; K385-Y387 WeakPolarHBondContact O-CE2 3.37Å |
| 386 | L | 77.8 | Confident | 75.5 | Confident | 16 Ų | 16 | 70.3 Ų | 70.3 | 8% | 0.084 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 136.2 | 177.1 | -59.1 | 177.7 | 0 | 0 | 0 | 109.8 | L337 A339 K344 P376 I377 Y378 | L337-L386 HydrophobicContact CD2-CB 3.82Å; L337-L386 HydrophobicContact CD2-CD1 4.35Å; A339-L386 HydrophobicContact CB-CD1 3.75Å; A339-L386 HydrophobicContact CB-CD2 3.93Å; K344-L386 HydrophobicContact CG-CD1 3.84Å; P376-L386 CarbonylContact C-O 3.57Å; P376-L386 WeakPolarHBondContact CA-O 3.27Å; I377-L386 HydrophobicContact CG2-CB 4.44Å; I377-L386 PolarHBondContact N-O 2.89Å; Y378-L386 HydrophobicContact CD1-CD1 3.74Å; Y378-L386 HydrophobicContact CD1-CG 4.16Å; Y378-L386 HydrophobicContact CG-CD1 4.37Å; Y378-L386 PolarHBondContact O-N 3.4Å |
| 387 | Y | 83.2 | Confident | 75.2 | Confident | 77 Ų | 77 | 72 Ų | 72 | 30% | 0.302 | 37% | 0.373 | S | S | . | . | trans | -126.3 | 156.6 | 180 | -60.2 | -99 | 0 | 0 | 0 | 109.1 | L337 P376 K385 V389 | L337-Y387 WeakPolarHBondContact CD1-O 3.41Å; P376-Y387 HydrophobicContact CB-CD1 4.38Å; P376-Y387 HydrophobicContact CB-CE1 4Å; P376-Y387 HydrophobicContact CB-CE2 4.36Å; P376-Y387 HydrophobicContact CG-CE1 4.36Å; K385-Y387 HydrophobicContact CB-CD2 4.41Å; K385-Y387 HydrophobicContact CB-CE2 3.51Å; K385-Y387 VanDerWaalsContact O-CD2 3.27Å; K385-Y387 WeakPolarHBondContact O-CD2 3.02Å; K385-Y387 VanDerWaalsContact O-CE2 3.3Å; K385-Y387 WeakPolarHBondContact O-CE2 3.37Å; Y387-V389 PolarHBondContact O-N 2.97Å; Y387-V389 VanDerWaalsContact O-N 3.16Å | ||
| 388 | L | 83.4 | Confident | 74.8 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 39% | 0.39 | C | S | . | . | trans | -81.3 | 86 | 170 | -59.7 | -171.2 | 0 | 0 | 0 | 108.4 | F321 V335 L337 V369 Y372 K373 I377 | F321-L388 HydrophobicContact CB-CD2 3.76Å; F321-L388 HydrophobicContact CD1-CB 3.56Å; F321-L388 HydrophobicContact CD1-CD2 4.22Å; F321-L388 HydrophobicContact CD1-CG 4.34Å; F321-L388 HydrophobicContact CD2-CB 4.46Å; F321-L388 HydrophobicContact CD2-CD1 4.19Å; F321-L388 HydrophobicContact CD2-CD2 4.29Å; F321-L388 HydrophobicContact CE1-CB 3.71Å; F321-L388 HydrophobicContact CE2-CD1 4.31Å; F321-L388 HydrophobicContact CG-CB 3.99Å; F321-L388 HydrophobicContact CG-CD1 4.41Å; F321-L388 HydrophobicContact CG-CD2 3.83Å; F321-L388 HydrophobicContact CG-CG 4.27Å; F321-L388 HydrophobicContact CZ-CB 4.24Å; V335-L388 HydrophobicContact CG1-CD1 4.19Å; V335-L388 HydrophobicContact CG1-CD2 3.73Å; L337-L388 HydrophobicContact CD1-CD2 4.03Å; L337-L388 HydrophobicContact CD2-CD2 4.19Å; L337-L388 HydrophobicContact CG-CD2 4.5Å; V369-L388 HydrophobicContact CG2-CD1 4.45Å; Y372-L388 PolarHBondContact O-N 3.03Å; K373-L388 WeakPolarHBondContact CG-O 3.26Å; I377-L388 HydrophobicContact CD1-CD1 4.26Å; I377-L388 HydrophobicContact CD1-CD2 3.9Å; I377-L388 HydrophobicContact CD1-CG 4.21Å; I377-L388 HydrophobicContact CG2-CD2 4.27Å | ||
| 389 | V | 78.1 | Confident | 74.6 | Confident | 91 Ų | 91 | 75.1 Ų | 75.1 | 55% | 0.552 | 40% | 0.396 | S | S | * | . | trans | -75.4 | -62 | -169.7 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | G319 Y387 | G319-V389 PolarHBondContact O-N 3.27Å; Y387-V389 PolarHBondContact O-N 2.97Å; Y387-V389 VanDerWaalsContact O-N 3.16Å | ||
| 390 | K | 78.9 | Confident | 74.4 | Confident | 87 Ų | 87 | 75.1 Ų | 75.1 | 38% | 0.378 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 148 | 178.7 | 61.2 | 178 | 179.2 | 176.4 | 0 | 111.8 | E317 D320 F321 | E317-K390 IonicContact OE2-NZ 2.75Å; E317-K390 PolarHBondContact OE2-NZ 3.15Å; D320-K390 WeakPolarHBondContact CA-O 3.41Å; D320-K390 WeakPolarHBondContact OD1-CE 3.37Å; D320-K390 WeakPolarHBondContact OD1-CG 3.36Å; D320-K390 IonicContact OD1-NZ 3.33Å; D320-K390 WeakPolarHBondContact OD2-CE 3.4Å; D320-K390 IonicContact OD2-NZ 2.96Å; F321-K390 WeakPolarHBondContact CD1-O 3.44Å; F321-K390 VanDerWaalsContact CE1-C 3.41Å; F321-K390 WeakPolarHBondContact CE1-O 3.4Å; F321-K390 PolarHBondContact N-O 3.14Å |
| 391 | A | 78.9 | Confident | 74.8 | Confident | 20 Ų | 20 | 79.6 Ų | 79.6 | 17% | 0.165 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 137.1 | 168 | 0 | 0 | 0 | 0 | 0 | 108.4 | D297 W298 F321 | D297-A391 HydrophobicContact CB-CB 4.18Å; W298-A391 HydrophobicContact CB-CB 3.78Å; F321-A391 HydrophobicContact CZ-CB 4.49Å; F321-A391 WeakPolarHBondContact O-CA 3.28Å |
| 392 | L | 73.8 | Confident | 75.4 | Confident | 4 Ų | 4 | 72.7 Ų | 72.7 | 2% | 0.021 | 38% | 0.375 | C | S | . | . | trans | -67.6 | 137 | 169.1 | -161.9 | 66.8 | 0 | 0 | 0 | 109.2 | D297 Y300 I311 L312 R315 D320 F321 L322 | D297-L392 VanDerWaalsContact O-O 3.07Å; Y300-L392 HydrophobicContact CE2-CB 4.37Å; Y300-L392 PolarHBondContact OH-O 2.8Å; I311-L392 HydrophobicContact CB-CD2 4.23Å; I311-L392 HydrophobicContact CG2-CD2 3.52Å; L312-L392 HydrophobicContact CD2-CD2 3.8Å; L312-L392 HydrophobicContact CG-CD2 4.17Å; R315-L392 HydrophobicContact CB-CD1 4.24Å; D320-L392 HydrophobicContact CB-CD1 4.16Å; F321-L392 PolarHBondContact O-N 3.01Å; L322-L392 HydrophobicContact CD2-CD2 3.99Å | ||
| 393 | L | 60.2 | Low | 76 | Confident | 140 Ų | 140 | 63.6 Ų | 63.6 | 73% | 0.733 | 34% | 0.336 | S | S | * | . | trans | -130.7 | 0 | -172.7 | -83.8 | 172.8 | 0 | 0 | 0 | 111.9 | P287 D297 | P287-L393 HydrophobicContact CG-CD2 4.45Å; D297-L393 HydrophobicContact CB-CD2 3.77Å |
Retrieved 393 of 393 residues in 69.1 ms
(Link to these results)