| 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 | T | 26.9 | Very low | 55 | Low | 130 Ų | 130 | 92.1 Ų | 92.1 | 80% | 0.798 | 48% | 0.476 | S | S | * | . | 0 | 108.2 | 0 | 46.6 | 0 | 0 | 0 | 0 | 108.2 | R326 | T1-R326 PolarHBondContact OG1-NH1 3Š| |||
| 2 | N | 26 | Very low | 56.1 | Low | 129 Ų | 129 | 90 Ų | 90 | 69% | 0.69 | 49% | 0.493 | S | S | * | . | cis | -130.6 | 157.5 | 3.9 | -61.7 | -22.9 | 0 | 0 | 0 | 107 | ||||
| 3 | H | 30.4 | Very low | 57.4 | Low | 167 Ų | 167 | 85.2 Ų | 85.2 | 77% | 0.773 | 47% | 0.465 | S | S | * | . | S | Bend | cis | -148.7 | -16.4 | 48.9 | -86.8 | -93.2 | 0 | 0 | 0 | 117 | ||
| 4 | N | 41.8 | Very low | 58.9 | Low | 131 Ų | 131 | 89.8 Ų | 89.8 | 70% | 0.701 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -115.5 | 36.4 | -159.3 | -68.5 | -7.1 | 0 | 0 | 0 | 116.8 | ||
| 5 | T | 58.8 | Low | 60.6 | Low | 65 Ų | 65 | 84.3 Ų | 84.3 | 40% | 0.399 | 45% | 0.452 | S | S | . | . | trans | -105.5 | -14.5 | -179.7 | 53.4 | 0 | 0 | 0 | 0 | 115.6 | R395 V396 | T5-R395 WeakPolarHBondContact O-CA 3.43Å; T5-V396 PolarHBondContact O-N 3.46Å; T5-V396 VanDerWaalsContact O-N 3.16Å | ||
| 6 | N | 58.9 | Low | 62.2 | Low | 91 Ų | 91 | 82 Ų | 82 | 49% | 0.487 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 121.7 | 176.9 | -62 | -8.8 | 0 | 0 | 0 | 108.2 | I393 R395 | N6-I393 HydrophobicContact CB-CG2 3.91Å; N6-R395 PolarHBondContact OD1-NE 3.09Å |
| 7 | L | 64.3 | Low | 63.8 | Low | 32 Ų | 32 | 79.5 Ų | 79.5 | 17% | 0.168 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -40.6 | -179.4 | -117.7 | 147.9 | 0 | 0 | 0 | 111.7 | L40 P43 L394 V396 | L7-L40 HydrophobicContact CD1-CD2 3.81Å; L7-L40 HydrophobicContact CD2-CD2 4.02Å; L7-P43 HydrophobicContact CD2-CB 3.79Å; L7-P43 HydrophobicContact CD2-CG 3.86Å; L7-P43 WeakPolarHBondContact O-CB 3.11Å; L7-P43 WeakPolarHBondContact O-CG 3.48Å; L7-L394 HydrophobicContact CB-CD2 4.47Å; L7-L394 HydrophobicContact CB-CG 4.46Å; L7-L394 PolarHBondContact N-O 3.03Å; L7-V396 HydrophobicContact CD1-CB 3.74Å; L7-V396 HydrophobicContact CD1-CG2 3.25Å |
| 8 | L | 75.3 | Confident | 65.4 | Low | 21 Ų | 21 | 75.2 Ų | 75.2 | 11% | 0.11 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 149.4 | -178.6 | -170.1 | 56.9 | 0 | 0 | 0 | 111.6 | L10 C38 P43 Y46 I393 L394 | L8-L10 HydrophobicContact CD2-CD1 3.95Å; L8-L10 HydrophobicContact CD2-CD2 3.72Å; L8-L10 HydrophobicContact CD2-CG 3.62Å; L8-L10 HydrophobicContact CG-CD2 4.17Å; L8-L10 HydrophobicContact CG-CG 3.9Å; L8-C38 HydrophobicContact CD2-CB 4.23Å; L8-P43 HydrophobicContact CB-CB 4.16Å; L8-P43 HydrophobicContact CD1-CB 4.33Å; L8-P43 WeakPolarHBondContact CD1-O 3.4Å; L8-P43 WeakPolarHBondContact CD2-O 3.42Å; L8-Y46 HydrophobicContact CD1-CD1 4.29Å; L8-Y46 HydrophobicContact CD2-CD1 3.96Å; L8-Y46 HydrophobicContact CD2-CG 4.36Å; L8-I393 CarbonylContact O-C 3.54Å; L8-I393 WeakPolarHBondContact O-CA 3.35Å; L8-L394 HydrophobicContact CB-CB 4.17Å; L8-L394 PolarHBondContact N-O 2.82Å; L8-L394 PolarHBondContact O-N 2.85Å |
| 9 | E | 79.4 | Confident | 66.8 | Low | 99 Ų | 99 | 71.4 Ų | 71.4 | 46% | 0.463 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 103.3 | 171.4 | -175.9 | -174 | -155.3 | 0 | 0 | 108.5 | K11 N392 I393 | E9-K11 HydrophobicContact CG-CG 4.23Å; E9-K11 PolarHBondContact O-N 3.15Å; E9-K11 WeakPolarHBondContact OE1-CE 3.45Å; E9-K11 IonicContact OE1-NZ 3.94Å; E9-K11 PolarHBondContact OE1-NZ 3.47Å; E9-K11 WeakPolarHBondContact OE2-CE 3.19Å; E9-K11 IonicContact OE2-NZ 3.82Å; E9-K11 PolarHBondContact OE2-NZ 3.03Å; E9-N392 CarbonylContact C-O 3.53Å; E9-N392 WeakPolarHBondContact CA-O 3.3Å; E9-I393 HydrophobicContact CB-CG1 4.17Å; E9-I393 HydrophobicContact CG-CG1 3.92Å |
| 10 | L | 74.5 | Confident | 68 | Low | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | trans | -97 | 80 | -175.7 | -74.9 | 172.3 | 0 | 0 | 0 | 111.2 | L8 G12 F13 I15 L29 V36 Y46 W388 N392 | L8-L10 HydrophobicContact CD2-CD1 3.95Å; L8-L10 HydrophobicContact CD2-CD2 3.72Å; L8-L10 HydrophobicContact CD2-CG 3.62Å; L8-L10 HydrophobicContact CG-CD2 4.17Å; L8-L10 HydrophobicContact CG-CG 3.9Å; L10-G12 PolarHBondContact O-N 2.96Å; L10-F13 HydrophobicContact CB-CB 4.31Å; L10-F13 HydrophobicContact CB-CD2 3.73Å; L10-F13 HydrophobicContact CB-CE2 4.47Å; L10-F13 HydrophobicContact CB-CG 4.29Å; L10-F13 HydrophobicContact CD2-CD2 4.11Å; L10-F13 HydrophobicContact CD2-CE2 4.06Å; L10-F13 HydrophobicContact CG-CD2 4.4Å; L10-F13 PolarHBondContact O-N 2.94Å; L10-I15 HydrophobicContact CD1-CD1 3.7Å; L10-L29 HydrophobicContact CD1-CD1 3.68Å; L10-V36 HydrophobicContact CD1-CB 4.29Å; L10-V36 HydrophobicContact CD1-CG1 3.84Å; L10-V36 HydrophobicContact CD1-CG2 4.45Å; L10-V36 HydrophobicContact CD2-CG1 4.45Å; L10-Y46 HydrophobicContact CD2-CD1 3.71Å; L10-Y46 HydrophobicContact CD2-CD2 3.86Å; L10-Y46 HydrophobicContact CD2-CE1 3.49Å; L10-Y46 VanDerWaalsContact CD2-CE1 3.49Å; L10-Y46 HydrophobicContact CD2-CE2 3.64Å; L10-Y46 HydrophobicContact CD2-CG 3.89Å; L10-Y46 VanDerWaalsContact CD2-CZ 3.45Å; L10-W388 HydrophobicContact CB-CH2 3.97Å; L10-W388 HydrophobicContact CD1-CH2 4.38Å; L10-W388 HydrophobicContact CD1-CZ3 4.47Å; L10-N392 PolarHBondContact N-O 3.23Å; L10-N392 WeakPolarHBondContact O-CB 3.47Å | ||
| 11 | K | 69.1 | Low | 69 | Low | 147 Ų | 147 | 65.7 Ų | 65.7 | 64% | 0.639 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 118.6 | 179.7 | -70.2 | 178.5 | 172.2 | 140.2 | 0 | 111.6 | E9 | E9-K11 HydrophobicContact CG-CG 4.23Å; E9-K11 PolarHBondContact O-N 3.15Å; E9-K11 WeakPolarHBondContact OE1-CE 3.45Å; E9-K11 IonicContact OE1-NZ 3.94Å; E9-K11 PolarHBondContact OE1-NZ 3.47Å; E9-K11 WeakPolarHBondContact OE2-CE 3.19Å; E9-K11 IonicContact OE2-NZ 3.82Å; E9-K11 PolarHBondContact OE2-NZ 3.03Å |
| 12 | G | 67.4 | Low | 71.7 | Confident | 67 Ų | 67 | 62.2 Ų | 62.2 | 69% | 0.691 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.7 | -23.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | L10 Q14 | L10-G12 PolarHBondContact O-N 2.96Å; G12-Q14 PolarHBondContact O-N 3.1Å |
| 13 | F | 73 | Confident | 74.5 | Confident | 28 Ų | 28 | 58.6 Ų | 58.6 | 12% | 0.123 | 32% | 0.317 | C | S | . | . | trans | -83 | 115.9 | -171.8 | -66.9 | -91.4 | 0 | 0 | 0 | 112.4 | L10 I15 E34 V36 Y46 N392 | L10-F13 HydrophobicContact CB-CB 4.31Å; L10-F13 HydrophobicContact CB-CD2 3.73Å; L10-F13 HydrophobicContact CB-CE2 4.47Å; L10-F13 HydrophobicContact CB-CG 4.29Å; L10-F13 HydrophobicContact CD2-CD2 4.11Å; L10-F13 HydrophobicContact CD2-CE2 4.06Å; L10-F13 HydrophobicContact CG-CD2 4.4Å; L10-F13 PolarHBondContact O-N 2.94Å; F13-I15 HydrophobicContact CB-CD1 3.65Å; F13-I15 HydrophobicContact CB-CG1 4.05Å; F13-I15 PolarHBondContact O-N 3.38Å; F13-E34 HydrophobicContact CD1-CB 4.37Å; F13-E34 WeakPolarHBondContact CD1-OE2 3.23Å; F13-V36 HydrophobicContact CD1-CG2 3.48Å; F13-V36 VanDerWaalsContact CD1-CG2 3.48Å; F13-V36 HydrophobicContact CE1-CG2 3.48Å; F13-V36 VanDerWaalsContact CE1-CG2 3.48Å; F13-V36 HydrophobicContact CG-CG2 4.22Å; F13-V36 HydrophobicContact CZ-CG2 4.22Å; F13-Y46 HydrophobicContact CE2-CE2 4.22Å; F13-Y46 HydrophobicContact CZ-CE2 4.04Å; F13-N392 PolarHBondContact O-OD1 3.22Å | ||
| 14 | Q | 79.4 | Confident | 76.8 | Confident | 149 Ų | 149 | 51 Ų | 51 | 70% | 0.696 | 28% | 0.283 | S | S | * | . | trans | -81.2 | 61.9 | 176.8 | -64.6 | -167.3 | 7.1 | 0 | 0 | 112.2 | G12 G31 | G12-Q14 PolarHBondContact O-N 3.1Å; Q14-G31 WeakPolarHBondContact O-CA 3.12Å | ||
| 15 | I | 84.4 | Confident | 78.8 | Confident | 8 Ų | 8 | 49.7 Ų | 49.7 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | trans | -70.9 | 136.1 | -178.9 | -70.3 | 148.1 | 0 | 0 | 0 | 111.1 | L10 F13 L29 W388 | L10-I15 HydrophobicContact CD1-CD1 3.7Å; F13-I15 HydrophobicContact CB-CD1 3.65Å; F13-I15 HydrophobicContact CB-CG1 4.05Å; F13-I15 PolarHBondContact O-N 3.38Å; I15-L29 HydrophobicContact CD1-CB 3.75Å; I15-L29 HydrophobicContact CD1-CD1 4.11Å; I15-L29 HydrophobicContact CD1-CG 4.47Å; I15-L29 HydrophobicContact CG1-CB 3.95Å; I15-L29 HydrophobicContact CG2-CB 3.82Å; I15-L29 HydrophobicContact CG2-CD2 4.12Å; I15-W388 HydrophobicContact CB-CD2 4.35Å; I15-W388 HydrophobicContact CB-CZ2 3.78Å; I15-W388 HydrophobicContact CD1-CH2 3.74Å; I15-W388 HydrophobicContact CD1-CZ2 3.57Å; I15-W388 HydrophobicContact CD1-CZ3 4.34Å; I15-W388 HydrophobicContact CG1-CZ2 4.27Å; I15-W388 HydrophobicContact CG2-CD2 4Å; I15-W388 HydrophobicContact CG2-CG 3.96Å; I15-W388 HydrophobicContact CG2-CZ2 4.34Å; I15-W388 PolarHBondContact O-NE1 2.74Å | ||
| 16 | S | 85.1 | Confident | 80.1 | Confident | 47 Ų | 47 | 47 Ų | 47 | 33% | 0.329 | 25% | 0.252 | S | S | . | . | trans | -118.2 | -25.6 | -174 | 66.8 | 0 | 0 | 0 | 0 | 114.4 | C30 | S16-C30 PolarHBondContact N-O 2.87Å; S16-C30 PolarHBondContact OG-O 2.89Å | ||
| 17 | Q | 89.5 | Confident | 81.6 | Confident | 39 Ų | 39 | 42.7 Ų | 42.7 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 149.9 | -176 | -61.7 | -166.3 | -13.5 | 0 | 0 | 112.1 | C30 S58 L60 | Q17-C30 PolarHBondContact N-O 3.27Å; Q17-C30 PolarHBondContact O-N 3.5Å; Q17-S58 PolarHBondContact NE2-O 3.12Å; Q17-L60 HydrophobicContact CB-CB 4.21Å; Q17-L60 HydrophobicContact CB-CD2 4.44Å |
| 18 | I | 92.2 | Very high | 82.9 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 128.1 | -178.4 | -177.4 | 171.4 | 0 | 0 | 0 | 113.1 | V27 L29 D334 N336 L386 W388 L394 | I18-V27 HydrophobicContact CD1-CG1 3.78Å; I18-V27 HydrophobicContact CG1-CG1 3.58Å; I18-L29 HydrophobicContact CB-CD2 3.87Å; I18-L29 HydrophobicContact CD1-CD2 3.76Å; I18-L29 HydrophobicContact CG1-CD2 3.62Å; I18-D334 HydrophobicContact CG2-CB 3.82Å; I18-D334 PolarHBondContact N-OD2 2.79Å; I18-D334 VanDerWaalsContact N-OD2 3.11Å; I18-N336 HydrophobicContact CG2-CB 4.18Å; I18-N336 PolarHBondContact O-ND2 3.09Å; I18-L386 HydrophobicContact CD1-CB 3.86Å; I18-L386 HydrophobicContact CD1-CD2 4.39Å; I18-W388 HydrophobicContact CD1-CB 4.38Å; I18-L394 HydrophobicContact CD1-CD1 3.49Å; I18-L394 VanDerWaalsContact CD1-CD1 3.49Å |
| 19 | A | 92.7 | Very high | 83.7 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 2% | 0.017 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 125 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A28 L60 W62 | A19-A28 HydrophobicContact CB-CB 4.45Å; A19-A28 PolarHBondContact N-O 3.37Å; A19-A28 PolarHBondContact O-N 2.89Å; A19-L60 HydrophobicContact CB-CD2 3.87Å; A19-L60 HydrophobicContact CB-CG 3.87Å; A19-W62 PolarHBondContact O-NE1 3.22Å |
| 20 | A | 90.6 | Very high | 84.2 | Confident | 16 Ų | 16 | 35.4 Ų | 35.4 | 13% | 0.132 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 145.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | W337 L338 L386 | A20-W337 WeakPolarHBondContact CB-O 3.38Å; A20-L338 HydrophobicContact CB-CD1 4.43Å; A20-L386 HydrophobicContact CB-CD1 3.64Å |
| 21 | D | 89 | Confident | 84.7 | Confident | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.043 | 20% | 0.195 | C | C | . | . | trans | -71 | 153.4 | 170.9 | 80.8 | -59.7 | 0 | 0 | 0 | 111.2 | I23 G24 R25 C26 W62 | D21-I23 PolarHBondContact O-N 3.02Å; D21-I23 VanDerWaalsContact O-N 3.14Å; D21-I23 WeakPolarHBondContact OD2-CB 3.48Å; D21-I23 PolarHBondContact OD2-N 2.84Å; D21-G24 PolarHBondContact O-N 2.94Å; D21-G24 VanDerWaalsContact OD1-CA 3.24Å; D21-G24 WeakPolarHBondContact OD1-CA 3.48Å; D21-G24 PolarHBondContact OD1-N 2.74Å; D21-G24 VanDerWaalsContact OD1-N 3.11Å; D21-G24 PolarHBondContact OD2-N 2.72Å; D21-R25 VanDerWaalsContact CG-N 3.33Å; D21-R25 PolarHBondContact OD1-N 3.43Å; D21-R25 PolarHBondContact OD2-N 2.78Å; D21-C26 HydrophobicContact CB-CB 4.42Å; D21-C26 PolarHBondContact N-O 2.89Å; D21-C26 PolarHBondContact OD1-N 3.48Å; D21-W62 HydrophobicContact CB-CD2 4.32Å; D21-W62 HydrophobicContact CB-CG 4.47Å | ||
| 22 | P | 84.8 | Confident | 85.2 | Confident | 57 Ų | 57 | 30.9 Ų | 30.9 | 37% | 0.37 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -10.4 | -176.7 | 27.8 | -36.5 | 0 | 0 | 0 | 114.9 | P64 | P22-P64 WeakPolarHBondContact CB-O 3.47Å; P22-P64 WeakPolarHBondContact CG-O 3.43Å |
| 23 | I | 83.1 | Confident | 85.8 | Confident | 53 Ų | 53 | 30.1 Ų | 30.1 | 27% | 0.272 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -16.7 | 179.4 | -51.2 | -177.5 | 0 | 0 | 0 | 111.4 | D21 R25 H67 | D21-I23 PolarHBondContact O-N 3.02Å; D21-I23 VanDerWaalsContact O-N 3.14Å; D21-I23 WeakPolarHBondContact OD2-CB 3.48Å; D21-I23 PolarHBondContact OD2-N 2.84Å; I23-R25 HydrophobicContact CB-CG 4.3Å; I23-R25 HydrophobicContact CG2-CG 3.99Å; I23-H67 HydrophobicContact CD1-CB 4Å; I23-H67 WeakPolarHBondContact CD1-ND1 3.44Å; I23-H67 HydrophobicContact CG1-CB 4.33Å |
| 24 | G | 80.5 | Confident | 86.3 | Confident | 6 Ų | 6 | 32.2 Ų | 32.2 | 6% | 0.062 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 74.8 | 38.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D21 L338 | D21-G24 PolarHBondContact O-N 2.94Å; D21-G24 VanDerWaalsContact OD1-CA 3.24Å; D21-G24 WeakPolarHBondContact OD1-CA 3.48Å; D21-G24 PolarHBondContact OD1-N 2.74Å; D21-G24 VanDerWaalsContact OD1-N 3.11Å; D21-G24 PolarHBondContact OD2-N 2.72Å; G24-L338 VanDerWaalsContact CA-CD1 3.43Å |
| 25 | R | 82.1 | Confident | 86.8 | Confident | 104 Ų | 104 | 25.1 Ų | 25.1 | 39% | 0.392 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -103.2 | -29.7 | 175.1 | -65.1 | 178.8 | 174.2 | -174.9 | -0.2 | 113.9 | D21 I23 P39 L40 | D21-R25 VanDerWaalsContact CG-N 3.33Å; D21-R25 PolarHBondContact OD1-N 3.43Å; D21-R25 PolarHBondContact OD2-N 2.78Å; I23-R25 HydrophobicContact CB-CG 4.3Å; I23-R25 HydrophobicContact CG2-CG 3.99Å; R25-P39 CarbonylContact O-C 3.49Å; R25-L40 PolarHBondContact O-N 2.9Å |
| 26 | C | 87.2 | Confident | 87 | Confident | 9 Ų | 9 | 24.8 Ų | 24.8 | 6% | 0.061 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 147.6 | -168.7 | -71 | 0 | 0 | 0 | 0 | 112.5 | D21 I37 C38 | D21-C26 HydrophobicContact CB-CB 4.42Å; D21-C26 PolarHBondContact N-O 2.89Å; D21-C26 PolarHBondContact OD1-N 3.48Å; C26-I37 HydrophobicContact CB-CG2 4.27Å; C26-C38 CarbonylContact C-O 3.49Å; C26-C38 WeakPolarHBondContact CA-O 3.26Å |
| 27 | V | 90.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 125.7 | 173.6 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | I18 L29 I37 C38 L40 L386 L394 | I18-V27 HydrophobicContact CD1-CG1 3.78Å; I18-V27 HydrophobicContact CG1-CG1 3.58Å; V27-L29 HydrophobicContact CG1-CD2 3.99Å; V27-L29 HydrophobicContact CG1-CG 4.12Å; V27-I37 WeakPolarHBondContact O-CA 3.26Å; V27-C38 PolarHBondContact N-O 3.16Å; V27-C38 PolarHBondContact O-N 2.64Å; V27-L40 HydrophobicContact CG2-CD1 3.95Å; V27-L40 HydrophobicContact CG2-CD2 3.73Å; V27-L40 HydrophobicContact CG2-CG 3.92Å; V27-L386 HydrophobicContact CG2-CD1 3.66Å; V27-L386 HydrophobicContact CG2-CD2 3.9Å; V27-L386 HydrophobicContact CG2-CG 4.48Å; V27-L394 HydrophobicContact CB-CD2 4.48Å; V27-L394 HydrophobicContact CG1-CD2 4.47Å |
| 28 | A | 91.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 133.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | A19 L35 V36 I37 L60 W62 L70 | A19-A28 HydrophobicContact CB-CB 4.45Å; A19-A28 PolarHBondContact N-O 3.37Å; A19-A28 PolarHBondContact O-N 2.89Å; A28-L35 HydrophobicContact CB-CD1 4.27Å; A28-V36 CarbonylContact C-O 3.5Å; A28-V36 WeakPolarHBondContact CA-O 3.4Å; A28-I37 HydrophobicContact CB-CG1 4.32Å; A28-L60 HydrophobicContact CB-CD2 4.08Å; A28-W62 HydrophobicContact CB-CZ2 3.88Å; A28-L70 HydrophobicContact CB-CD1 4.32Å; A28-L70 HydrophobicContact CB-CD2 3.94Å |
| 29 | L | 91.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 115.8 | -178.4 | -65.6 | 172.1 | 0 | 0 | 0 | 107.5 | L10 I15 I18 V27 V36 W388 L394 | L10-L29 HydrophobicContact CD1-CD1 3.68Å; I15-L29 HydrophobicContact CD1-CB 3.75Å; I15-L29 HydrophobicContact CD1-CD1 4.11Å; I15-L29 HydrophobicContact CD1-CG 4.47Å; I15-L29 HydrophobicContact CG1-CB 3.95Å; I15-L29 HydrophobicContact CG2-CB 3.82Å; I15-L29 HydrophobicContact CG2-CD2 4.12Å; I18-L29 HydrophobicContact CB-CD2 3.87Å; I18-L29 HydrophobicContact CD1-CD2 3.76Å; I18-L29 HydrophobicContact CG1-CD2 3.62Å; V27-L29 HydrophobicContact CG1-CD2 3.99Å; V27-L29 HydrophobicContact CG1-CG 4.12Å; L29-V36 HydrophobicContact CB-CB 4.35Å; L29-V36 PolarHBondContact N-O 2.87Å; L29-V36 PolarHBondContact O-N 3.33Å; L29-W388 HydrophobicContact CD1-CE3 4.28Å; L29-W388 HydrophobicContact CD1-CZ3 4.26Å; L29-W388 HydrophobicContact CD2-CD2 4.44Å; L29-W388 HydrophobicContact CD2-CE3 4.25Å; L29-L394 HydrophobicContact CD1-CD2 4.47Å; L29-L394 HydrophobicContact CD2-CD1 4.31Å |
| 30 | C | 89.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 127.3 | -174.3 | -166.5 | 0 | 0 | 0 | 0 | 112.8 | S16 Q17 L35 C57 L60 I72 | S16-C30 PolarHBondContact N-O 2.87Å; S16-C30 PolarHBondContact OG-O 2.89Å; Q17-C30 PolarHBondContact N-O 3.27Å; Q17-C30 PolarHBondContact O-N 3.5Å; C30-L35 HydrophobicContact CB-CD1 3.93Å; C30-C57 HydrophobicContact CB-CB 4.24Å; C30-L60 HydrophobicContact CB-CD1 3.98Å; C30-L60 HydrophobicContact CB-CD2 3.73Å; C30-L60 HydrophobicContact CB-CG 4.35Å; C30-I72 WeakPolarHBondContact SG-CD1 3.25Å |
| 31 | G | 85 | Confident | 85.5 | Confident | 3 Ų | 3 | 27 Ų | 27 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | trans | -100.5 | -146.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q14 E34 | Q14-G31 WeakPolarHBondContact O-CA 3.12Å; G31-E34 PolarHBondContact N-O 3.19Å | ||
| 32 | T | 80.6 | Confident | 84.9 | Confident | 50 Ų | 50 | 31.9 Ų | 31.9 | 31% | 0.307 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -84.1 | -43 | 176.2 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | S53 | T32-S53 VanDerWaalsContact O-O 3.11Š|
| 33 | D | 79.2 | Confident | 84.4 | Confident | 50 Ų | 50 | 30.6 Ų | 30.6 | 27% | 0.267 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -121.2 | -2 | -169.3 | -65.4 | 47.5 | 0 | 0 | 0 | 111.5 | L51 K54 | D33-L51 PolarHBondContact O-N 2.93Å; D33-K54 VanDerWaalsContact OD2-CG 3.26Å; D33-K54 WeakPolarHBondContact OD2-CG 3.43Å |
| 34 | E | 85.2 | Confident | 84 | Confident | 73 Ų | 73 | 32.6 Ų | 32.6 | 34% | 0.341 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 145.3 | -168.1 | -63 | -180 | 124.9 | 0 | 0 | 112.7 | F13 G31 F49 | F13-E34 HydrophobicContact CD1-CB 4.37Å; F13-E34 WeakPolarHBondContact CD1-OE2 3.23Å; G31-E34 PolarHBondContact N-O 3.19Å; E34-F49 CarbonylContact C-O 3.55Å; E34-F49 WeakPolarHBondContact CA-O 2.95Å |
| 35 | L | 88.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 121.2 | 168.7 | 172.4 | 64.5 | 0 | 0 | 0 | 108.5 | A28 C30 F49 L51 L60 L70 L81 L90 | A28-L35 HydrophobicContact CB-CD1 4.27Å; C30-L35 HydrophobicContact CB-CD1 3.93Å; L35-F49 PolarHBondContact N-O 2.75Å; L35-F49 PolarHBondContact O-N 2.64Å; L35-L51 HydrophobicContact CB-CD1 4.13Å; L35-L51 HydrophobicContact CB-CD2 3.89Å; L35-L51 HydrophobicContact CB-CG 4.24Å; L35-L60 HydrophobicContact CD1-CD1 4.14Å; L35-L70 HydrophobicContact CD1-CD2 4.38Å; L35-L70 HydrophobicContact CD2-CD2 4.03Å; L35-L81 HydrophobicContact CD2-CD1 3.68Å; L35-L90 HydrophobicContact CD2-CD1 3.68Å; L35-L90 HydrophobicContact CD2-CD2 4.32Å |
| 36 | V | 89.4 | Confident | 83.7 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.8 | 175.9 | 179 | 0 | 0 | 0 | 0 | 109.4 | L10 F13 A28 L29 Y46 S47 | L10-V36 HydrophobicContact CD1-CB 4.29Å; L10-V36 HydrophobicContact CD1-CG1 3.84Å; L10-V36 HydrophobicContact CD1-CG2 4.45Å; L10-V36 HydrophobicContact CD2-CG1 4.45Å; F13-V36 HydrophobicContact CD1-CG2 3.48Å; F13-V36 VanDerWaalsContact CD1-CG2 3.48Å; F13-V36 HydrophobicContact CE1-CG2 3.48Å; F13-V36 VanDerWaalsContact CE1-CG2 3.48Å; F13-V36 HydrophobicContact CG-CG2 4.22Å; F13-V36 HydrophobicContact CZ-CG2 4.22Å; A28-V36 CarbonylContact C-O 3.5Å; A28-V36 WeakPolarHBondContact CA-O 3.4Å; L29-V36 HydrophobicContact CB-CB 4.35Å; L29-V36 PolarHBondContact N-O 2.87Å; L29-V36 PolarHBondContact O-N 3.33Å; V36-Y46 HydrophobicContact CG1-CD2 3.62Å; V36-Y46 HydrophobicContact CG1-CG 4.01Å; V36-S47 CarbonylContact C-O 3.23Å; V36-S47 WeakPolarHBondContact CA-O 3.1Å |
| 37 | I | 89.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 120.4 | 171.4 | -62.8 | 174.4 | 0 | 0 | 0 | 108.4 | C26 V27 A28 Y46 S47 F49 W62 L70 W83 L90 | C26-I37 HydrophobicContact CB-CG2 4.27Å; V27-I37 WeakPolarHBondContact O-CA 3.26Å; A28-I37 HydrophobicContact CB-CG1 4.32Å; I37-Y46 CarbonylContact O-C 3.48Å; I37-Y46 VanDerWaalsContact O-CA 3.32Å; I37-Y46 WeakPolarHBondContact O-CA 3.44Å; I37-S47 PolarHBondContact N-O 3.39Å; I37-S47 PolarHBondContact O-N 3.1Å; I37-F49 HydrophobicContact CD1-CE2 4.35Å; I37-W62 HydrophobicContact CD1-CH2 4.17Å; I37-W62 HydrophobicContact CD1-CZ2 4.36Å; I37-W62 HydrophobicContact CG2-CZ2 4.43Å; I37-L70 HydrophobicContact CD1-CD2 4.31Å; I37-W83 HydrophobicContact CB-CH2 4.13Å; I37-W83 HydrophobicContact CB-CZ2 4.39Å; I37-W83 HydrophobicContact CB-CZ3 4.22Å; I37-W83 HydrophobicContact CD1-CD2 3.78Å; I37-W83 HydrophobicContact CD1-CE3 3.46Å; I37-W83 VanDerWaalsContact CD1-CE3 3.46Å; I37-W83 HydrophobicContact CD1-CG 4.3Å; I37-W83 HydrophobicContact CD1-CZ3 3.87Å; I37-W83 HydrophobicContact CG2-CD2 4.22Å; I37-W83 HydrophobicContact CG2-CE3 4.44Å; I37-W83 HydrophobicContact CG2-CH2 3.87Å; I37-W83 HydrophobicContact CG2-CZ2 3.62Å; I37-W83 HydrophobicContact CG2-CZ3 4.27Å; I37-L90 HydrophobicContact CD1-CD1 3.61Å |
| 38 | C | 87.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 112.3 | -173.3 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | L8 C26 V27 L40 | L8-C38 HydrophobicContact CD2-CB 4.23Å; C26-C38 CarbonylContact C-O 3.49Å; C26-C38 WeakPolarHBondContact CA-O 3.26Å; V27-C38 PolarHBondContact N-O 3.16Å; V27-C38 PolarHBondContact O-N 2.64Å; C38-L40 PolarHBondContact O-N 3.32Å |
| 39 | P | 85.4 | Confident | 82.7 | Confident | 24 Ų | 24 | 42.7 Ų | 42.7 | 16% | 0.156 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 120.5 | 171.7 | -19.1 | 33.1 | 0 | 0 | 0 | 111.5 | R25 K41 H42 P43 Q45 | R25-P39 CarbonylContact O-C 3.49Å; P39-K41 PolarHBondContact O-N 3.33Å; P39-H42 CarbonylContact O-C 3.56Å; P39-H42 PolarHBondContact O-N 3.04Å; P39-H42 VanDerWaalsContact O-N 3.11Å; P39-P43 VanDerWaalsContact O-CA 3.32Å; P39-P43 WeakPolarHBondContact O-CA 3.48Å; P39-P43 VanDerWaalsContact O-N 3.11Å; P39-Q45 WeakPolarHBondContact CD-O 3.28Å; P39-Q45 WeakPolarHBondContact CG-O 3.31Å |
| 40 | L | 80 | Confident | 82.1 | Confident | 17 Ų | 17 | 47.6 Ų | 47.6 | 9% | 0.089 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -20.7 | -174.3 | -73.1 | 169.5 | 0 | 0 | 0 | 114.4 | L7 R25 V27 C38 L338 | L7-L40 HydrophobicContact CD1-CD2 3.81Å; L7-L40 HydrophobicContact CD2-CD2 4.02Å; R25-L40 PolarHBondContact O-N 2.9Å; V27-L40 HydrophobicContact CG2-CD1 3.95Å; V27-L40 HydrophobicContact CG2-CD2 3.73Å; V27-L40 HydrophobicContact CG2-CG 3.92Å; C38-L40 PolarHBondContact O-N 3.32Å; L40-L338 HydrophobicContact CD1-CD1 3.56Å; L40-L338 HydrophobicContact CD1-CD2 3.81Å; L40-L338 HydrophobicContact CD1-CG 4.36Å |
| 41 | K | 76.5 | Confident | 81.4 | Confident | 111 Ų | 111 | 48.2 Ų | 48.2 | 48% | 0.483 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -33.2 | 173.7 | -64.5 | -170.2 | -179.8 | -176 | 0 | 112.3 | P39 N344 | P39-K41 PolarHBondContact O-N 3.33Å; K41-N344 PolarHBondContact NZ-OD1 2.95Å |
| 42 | H | 76.1 | Confident | 80.4 | Confident | 112 Ų | 112 | 54 Ų | 54 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -138.2 | 72.1 | -177 | -60.7 | -37.1 | 0 | 0 | 0 | 109.3 | P39 S44 Q45 | P39-H42 CarbonylContact O-C 3.56Å; P39-H42 PolarHBondContact O-N 3.04Å; P39-H42 VanDerWaalsContact O-N 3.11Å; H42-S44 PolarHBondContact O-N 3.3Å; H42-S44 VanDerWaalsContact O-N 3.1Å; H42-Q45 HydrophobicContact CB-CB 4.28Å; H42-Q45 HydrophobicContact CB-CG 4.16Å; H42-Q45 VanDerWaalsContact CB-OE1 3.32Å; H42-Q45 WeakPolarHBondContact O-CB 3.35Å; H42-Q45 PolarHBondContact O-N 3.44Å |
| 43 | P | 74.9 | Confident | 79.5 | Confident | 29 Ų | 29 | 53.3 Ų | 53.3 | 19% | 0.188 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26.4 | -170.9 | 25.9 | -38.8 | 0 | 0 | 0 | 113.8 | L7 L8 P39 Q45 | L7-P43 HydrophobicContact CD2-CB 3.79Å; L7-P43 HydrophobicContact CD2-CG 3.86Å; L7-P43 WeakPolarHBondContact O-CB 3.11Å; L7-P43 WeakPolarHBondContact O-CG 3.48Å; L8-P43 HydrophobicContact CB-CB 4.16Å; L8-P43 HydrophobicContact CD1-CB 4.33Å; L8-P43 WeakPolarHBondContact CD1-O 3.4Å; L8-P43 WeakPolarHBondContact CD2-O 3.42Å; P39-P43 VanDerWaalsContact O-CA 3.32Å; P39-P43 WeakPolarHBondContact O-CA 3.48Å; P39-P43 VanDerWaalsContact O-N 3.11Å; P43-Q45 PolarHBondContact O-N 3.44Å |
| 44 | S | 73.9 | Confident | 78.5 | Confident | 95 Ų | 95 | 59.2 Ų | 59.2 | 66% | 0.664 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -13.6 | 173.8 | 52.9 | 0 | 0 | 0 | 0 | 114.3 | H42 | H42-S44 PolarHBondContact O-N 3.3Å; H42-S44 VanDerWaalsContact O-N 3.1Å |
| 45 | Q | 76.4 | Confident | 77.4 | Confident | 125 Ų | 125 | 59.7 Ų | 59.7 | 58% | 0.584 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -99.4 | 48.4 | 177 | -63.6 | -179.9 | -29.7 | 0 | 0 | 110.8 | P39 H42 P43 | P39-Q45 WeakPolarHBondContact CD-O 3.28Å; P39-Q45 WeakPolarHBondContact CG-O 3.31Å; H42-Q45 HydrophobicContact CB-CB 4.28Å; H42-Q45 HydrophobicContact CB-CG 4.16Å; H42-Q45 VanDerWaalsContact CB-OE1 3.32Å; H42-Q45 WeakPolarHBondContact O-CB 3.35Å; H42-Q45 PolarHBondContact O-N 3.44Å; P43-Q45 PolarHBondContact O-N 3.44Å |
| 46 | Y | 80.7 | Confident | 76.4 | Confident | 93 Ų | 93 | 61.5 Ų | 61.5 | 37% | 0.365 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 143.9 | 177.4 | 65.9 | -93 | 0 | 0 | 0 | 111.8 | L8 L10 F13 V36 I37 | L8-Y46 HydrophobicContact CD1-CD1 4.29Å; L8-Y46 HydrophobicContact CD2-CD1 3.96Å; L8-Y46 HydrophobicContact CD2-CG 4.36Å; L10-Y46 HydrophobicContact CD2-CD1 3.71Å; L10-Y46 HydrophobicContact CD2-CD2 3.86Å; L10-Y46 HydrophobicContact CD2-CE1 3.49Å; L10-Y46 VanDerWaalsContact CD2-CE1 3.49Å; L10-Y46 HydrophobicContact CD2-CE2 3.64Å; L10-Y46 HydrophobicContact CD2-CG 3.89Å; L10-Y46 VanDerWaalsContact CD2-CZ 3.45Å; F13-Y46 HydrophobicContact CE2-CE2 4.22Å; F13-Y46 HydrophobicContact CZ-CE2 4.04Å; V36-Y46 HydrophobicContact CG1-CD2 3.62Å; V36-Y46 HydrophobicContact CG1-CG 4.01Å; I37-Y46 CarbonylContact O-C 3.48Å; I37-Y46 VanDerWaalsContact O-CA 3.32Å; I37-Y46 WeakPolarHBondContact O-CA 3.44Å |
| 47 | S | 82.7 | Confident | 76.2 | Confident | 24 Ų | 24 | 62.1 Ų | 62.1 | 17% | 0.168 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 116.3 | 172.2 | -63.6 | 0 | 0 | 0 | 0 | 110 | V36 I37 F49 C88 | V36-S47 CarbonylContact C-O 3.23Å; V36-S47 WeakPolarHBondContact CA-O 3.1Å; I37-S47 PolarHBondContact N-O 3.39Å; I37-S47 PolarHBondContact O-N 3.1Å; S47-F49 VanDerWaalsContact CB-CE2 3.44Å; S47-C88 PolarHBondContact OG-O 2.91Å |
| 48 | G | 82.5 | Confident | 76.1 | Confident | 46 Ų | 46 | 63.3 Ų | 63.3 | 47% | 0.474 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 128.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 49 | F | 82.9 | Confident | 76.2 | Confident | 43 Ų | 43 | 63.7 Ų | 63.7 | 19% | 0.189 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 119.2 | 179.2 | -58.6 | -77.4 | 0 | 0 | 0 | 110.2 | E34 L35 I37 S47 W83 L90 | E34-F49 CarbonylContact C-O 3.55Å; E34-F49 WeakPolarHBondContact CA-O 2.95Å; L35-F49 PolarHBondContact N-O 2.75Å; L35-F49 PolarHBondContact O-N 2.64Å; I37-F49 HydrophobicContact CD1-CE2 4.35Å; S47-F49 VanDerWaalsContact CB-CE2 3.44Å; F49-W83 HydrophobicContact CE2-CE3 4.43Å; F49-W83 AromaticContact CE2-CZ3 3.76Å; F49-W83 HydrophobicContact CE2-CZ3 3.76Å; F49-W83 AromaticContact CZ-CZ3 3.8Å; F49-W83 HydrophobicContact CZ-CZ3 3.8Å; F49-L90 HydrophobicContact CD1-CB 4Å; F49-L90 HydrophobicContact CD2-CB 3.99Å; F49-L90 HydrophobicContact CE1-CB 3.8Å; F49-L90 HydrophobicContact CE2-CB 3.77Å; F49-L90 HydrophobicContact CG-CB 4.1Å; F49-L90 HydrophobicContact CG-CD2 4.45Å; F49-L90 HydrophobicContact CZ-CB 3.68Å |
| 50 | S | 78.1 | Confident | 76.6 | Confident | 103 Ų | 103 | 63.4 Ų | 63.4 | 72% | 0.72 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 132.7 | 170.8 | -175.2 | 0 | 0 | 0 | 0 | 110 | ||
| 51 | L | 75.2 | Confident | 77.2 | Confident | 14 Ų | 14 | 63.5 Ų | 63.5 | 7% | 0.073 | 37% | 0.365 | C | S | . | . | trans | -98.3 | 139.4 | -179.1 | -55.1 | 179.9 | 0 | 0 | 0 | 109.6 | D33 L35 S53 I72 | D33-L51 PolarHBondContact O-N 2.93Å; L35-L51 HydrophobicContact CB-CD1 4.13Å; L35-L51 HydrophobicContact CB-CD2 3.89Å; L35-L51 HydrophobicContact CB-CG 4.24Å; L51-S53 PolarHBondContact O-N 3.24Å; L51-I72 HydrophobicContact CD1-CD1 3.93Å | ||
| 52 | P | 63.3 | Low | 78 | Confident | 123 Ų | 123 | 58.9 Ų | 58.9 | 80% | 0.799 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -73 | 13.3 | -170.5 | 29.8 | -37.1 | 0 | 0 | 0 | 115.3 | ||
| 53 | S | 61.5 | Low | 78.8 | Confident | 36 Ų | 36 | 54.1 Ų | 54.1 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | trans | -144.4 | 122.7 | -175.9 | 60.7 | 0 | 0 | 0 | 0 | 112 | T32 L51 L55 R74 | T32-S53 VanDerWaalsContact O-O 3.11Å; L51-S53 PolarHBondContact O-N 3.24Å; S53-L55 PolarHBondContact O-N 3.15Å; S53-R74 PolarHBondContact OG-NE 2.88Å | ||
| 54 | K | 58.8 | Low | 79.3 | Confident | 174 Ų | 174 | 54.6 Ų | 54.6 | 76% | 0.757 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -75 | 42.7 | 179.3 | -47.4 | -162.4 | 173.7 | -173.6 | 0 | 114.3 | D33 | D33-K54 VanDerWaalsContact OD2-CG 3.26Å; D33-K54 WeakPolarHBondContact OD2-CG 3.43Å |
| 55 | L | 61.4 | Low | 79.9 | Confident | 83 Ų | 83 | 55.6 Ų | 55.6 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -140.4 | 124.5 | -168.5 | -73.5 | 172.9 | 0 | 0 | 0 | 109.9 | S53 | S53-L55 PolarHBondContact O-N 3.15Š|
| 56 | G | 68.8 | Low | 80.3 | Confident | 39 Ų | 39 | 51.2 Ų | 51.2 | 40% | 0.402 | 30% | 0.304 | S | S | . | . | trans | -47.2 | 140.6 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 57 | C | 84.5 | Confident | 80.5 | Confident | 13 Ų | 13 | 49.4 Ų | 49.4 | 9% | 0.088 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 135.5 | 165.6 | -170.8 | 0 | 0 | 0 | 0 | 110.8 | C30 G59 I72 | C30-C57 HydrophobicContact CB-CB 4.24Å; C57-G59 PolarHBondContact SG-O 2.77Å; C57-G59 VanDerWaalsContact SG-O 3.33Å; C57-I72 VanDerWaalsContact SG-CG1 3.59Å |
| 58 | S | 87.2 | Confident | 80.6 | Confident | 26 Ų | 26 | 50.2 Ų | 50.2 | 18% | 0.182 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -23.1 | 177.7 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | Q17 A73 I103 | Q17-S58 PolarHBondContact NE2-O 3.12Å; S58-A73 PolarHBondContact N-O 3.1Å; S58-A73 WeakPolarHBondContact OG-CB 3.36Å; S58-A73 PolarHBondContact OG-O 3.31Å; S58-I103 WeakPolarHBondContact CB-O 3.4Å; S58-I103 PolarHBondContact OG-O 2.78Å |
| 59 | G | 89.4 | Confident | 81 | Confident | 7 Ų | 7 | 51 Ų | 51 | 7% | 0.072 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 138.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | C57 I72 A73 L106 | C57-G59 PolarHBondContact SG-O 2.77Å; C57-G59 VanDerWaalsContact SG-O 3.33Å; G59-I72 CarbonylContact O-C 3.5Å; G59-I72 WeakPolarHBondContact O-CA 3.16Å; G59-A73 PolarHBondContact O-N 3.17Å; G59-L106 WeakPolarHBondContact O-CD2 2.91Å |
| 60 | L | 93.7 | Very high | 81.4 | Confident | 18 Ų | 18 | 49 Ų | 49 | 9% | 0.094 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 117.7 | -179.2 | -175.3 | 76.2 | 0 | 0 | 0 | 108.5 | Q17 A19 A28 C30 L35 L70 A71 I72 | Q17-L60 HydrophobicContact CB-CB 4.21Å; Q17-L60 HydrophobicContact CB-CD2 4.44Å; A19-L60 HydrophobicContact CB-CD2 3.87Å; A19-L60 HydrophobicContact CB-CG 3.87Å; A28-L60 HydrophobicContact CB-CD2 4.08Å; C30-L60 HydrophobicContact CB-CD1 3.98Å; C30-L60 HydrophobicContact CB-CD2 3.73Å; C30-L60 HydrophobicContact CB-CG 4.35Å; L35-L60 HydrophobicContact CD1-CD1 4.14Å; L60-L70 HydrophobicContact CD1-CD1 3.9Å; L60-L70 HydrophobicContact CD1-CD2 4.36Å; L60-L70 HydrophobicContact CD1-CG 4.32Å; L60-L70 HydrophobicContact CG-CD1 4.25Å; L60-A71 WeakPolarHBondContact CA-O 3.4Å; L60-I72 HydrophobicContact CD1-CB 4.37Å; L60-I72 HydrophobicContact CD1-CG1 4.25Å |
| 61 | A | 93.5 | Very high | 82.1 | Confident | 19 Ų | 19 | 44.1 Ų | 44.1 | 16% | 0.157 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 129.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | A71 L106 W108 | A61-A71 PolarHBondContact N-O 2.72Å; A61-A71 VanDerWaalsContact N-O 3.07Å; A61-A71 PolarHBondContact O-N 2.9Å; A61-L106 HydrophobicContact CB-CD1 3.56Å; A61-W108 PolarHBondContact O-NE1 2.85Å |
| 62 | W | 92.9 | Very high | 82.9 | Confident | 15 Ų | 15 | 43.4 Ų | 43.4 | 6% | 0.057 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 146.7 | 166.5 | -67.8 | 95.6 | 0 | 0 | 0 | 110.6 | A19 D21 A28 I37 H67 L70 W83 W108 | A19-W62 PolarHBondContact O-NE1 3.22Å; D21-W62 HydrophobicContact CB-CD2 4.32Å; D21-W62 HydrophobicContact CB-CG 4.47Å; A28-W62 HydrophobicContact CB-CZ2 3.88Å; I37-W62 HydrophobicContact CD1-CH2 4.17Å; I37-W62 HydrophobicContact CD1-CZ2 4.36Å; I37-W62 HydrophobicContact CG2-CZ2 4.43Å; W62-H67 WeakPolarHBondContact CZ3-O 3.37Å; W62-L70 HydrophobicContact CD2-CB 4.27Å; W62-L70 HydrophobicContact CD2-CD1 3.94Å; W62-L70 HydrophobicContact CE3-CB 3.9Å; W62-L70 HydrophobicContact CE3-CD1 4.44Å; W62-L70 HydrophobicContact CG-CD1 4.04Å; W62-L70 HydrophobicContact CH2-CB 4.43Å; W62-L70 HydrophobicContact CH2-CD2 4.36Å; W62-L70 HydrophobicContact CZ2-CD2 4.22Å; W62-L70 HydrophobicContact CZ3-CB 3.98Å; W62-W83 HydrophobicContact CH2-CB 3.84Å; W62-W83 AromaticContact CH2-CD1 3.64Å; W62-W83 AromaticContact CH2-CG 3.72Å; W62-W83 HydrophobicContact CH2-CG 3.72Å; W62-W83 HydrophobicContact CZ3-CB 3.83Å; W62-W83 AromaticContact CZ3-CD1 3.96Å; W62-W83 HydrophobicContact CZ3-CG 4.09Å; W62-W108 PolarHBondContact O-NE1 2.81Å |
| 63 | H | 91.8 | Very high | 84.2 | Confident | 11 Ų | 11 | 37.6 Ų | 37.6 | 5% | 0.051 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 132 | 174.2 | 174 | -80.9 | 0 | 0 | 0 | 110.1 | N65 D66 K69 W108 P113 | H63-N65 VanDerWaalsContact C-N 3.27Å; H63-N65 PolarHBondContact ND1-N 3.42Å; H63-N65 PolarHBondContact O-N 3.33Å; H63-N65 VanDerWaalsContact O-N 3.11Å; H63-D66 HydrophobicContact CB-CB 4.39Å; H63-D66 WeakPolarHBondContact ND1-CB 3.42Å; H63-D66 PolarHBondContact ND1-N 2.83Å; H63-D66 PolarHBondContact O-N 2.87Å; H63-K69 HydrophobicContact CB-CB 3.66Å; H63-K69 PolarHBondContact N-O 2.89Å; H63-W108 HydrophobicContact CB-CD2 4.41Å; H63-W108 HydrophobicContact CB-CH2 4.42Å; H63-W108 HydrophobicContact CB-CZ2 4.02Å; H63-W108 AromaticContact CD2-CE3 3.89Å; H63-W108 AromaticContact CD2-CH2 3.91Å; H63-W108 AromaticContact CD2-CZ3 3.66Å; H63-P113 PolarHBondContact CD2-O 2.74Å; H63-P113 WeakPolarHBondContact NE2-CB 3.37Å; H63-P113 PolarHBondContact NE2-O 3.42Å |
| 64 | P | 87.1 | Confident | 85.3 | Confident | 40 Ų | 40 | 36.6 Ų | 36.6 | 26% | 0.26 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -29.6 | -164.9 | 22.1 | -33.9 | 0 | 0 | 0 | 114.3 | P22 W108 | P22-P64 WeakPolarHBondContact CB-O 3.47Å; P22-P64 WeakPolarHBondContact CG-O 3.43Å; P64-W108 HydrophobicContact CG-CB 4.23Å |
| 65 | N | 85.6 | Confident | 86.5 | Confident | 115 Ų | 115 | 35.2 Ų | 35.2 | 62% | 0.615 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110 | -0.2 | -176.9 | -61.7 | -4 | 0 | 0 | 0 | 113.5 | H63 | H63-N65 VanDerWaalsContact C-N 3.27Å; H63-N65 PolarHBondContact ND1-N 3.42Å; H63-N65 PolarHBondContact O-N 3.33Å; H63-N65 VanDerWaalsContact O-N 3.11Å |
| 66 | D | 85.1 | Confident | 87.7 | Confident | 33 Ų | 33 | 32.8 Ų | 32.8 | 18% | 0.176 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 103.3 | -169.9 | -172.3 | -10.3 | 0 | 0 | 0 | 111.1 | H63 T68 K69 | H63-D66 HydrophobicContact CB-CB 4.39Å; H63-D66 WeakPolarHBondContact ND1-CB 3.42Å; H63-D66 PolarHBondContact ND1-N 2.83Å; H63-D66 PolarHBondContact O-N 2.87Å; D66-T68 VanDerWaalsContact CG-OG1 3.25Å; D66-T68 PolarHBondContact O-N 3.2Å; D66-T68 VanDerWaalsContact O-N 3.13Å; D66-T68 WeakPolarHBondContact OD1-CB 3.44Å; D66-T68 PolarHBondContact OD1-N 2.93Å; D66-T68 PolarHBondContact OD1-OG1 2.8Å; D66-T68 PolarHBondContact OD2-OG1 3.17Å; D66-K69 PolarHBondContact O-N 2.88Å; D66-K69 VanDerWaalsContact O-N 3.16Å; D66-K69 IonicContact OD2-NZ 2.75Å; D66-K69 PolarHBondContact OD2-NZ 3.2Å |
| 67 | H | 84.5 | Confident | 88.5 | Confident | 55 Ų | 55 | 37.6 Ų | 37.6 | 26% | 0.255 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | -3.7 | 179.6 | 69.6 | -90.1 | 0 | 0 | 0 | 114 | I23 W62 | I23-H67 HydrophobicContact CD1-CB 4Å; I23-H67 WeakPolarHBondContact CD1-ND1 3.44Å; I23-H67 HydrophobicContact CG1-CB 4.33Å; W62-H67 WeakPolarHBondContact CZ3-O 3.37Å |
| 68 | T | 85.7 | Confident | 88.7 | Confident | 41 Ų | 41 | 37 Ų | 37 | 25% | 0.252 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -16.2 | 172.6 | 71.4 | 0 | 0 | 0 | 0 | 112.9 | D66 L82 W83 | D66-T68 VanDerWaalsContact CG-OG1 3.25Å; D66-T68 PolarHBondContact O-N 3.2Å; D66-T68 VanDerWaalsContact O-N 3.13Å; D66-T68 WeakPolarHBondContact OD1-CB 3.44Å; D66-T68 PolarHBondContact OD1-N 2.93Å; D66-T68 PolarHBondContact OD1-OG1 2.8Å; D66-T68 PolarHBondContact OD2-OG1 3.17Å; T68-L82 CarbonylContact O-C 3.53Å; T68-L82 VanDerWaalsContact O-CA 3.3Å; T68-L82 WeakPolarHBondContact O-CA 3.28Å; T68-W83 PolarHBondContact O-N 3.3Å |
| 69 | K | 89.1 | Confident | 88.8 | Confident | 64 Ų | 64 | 37 Ų | 37 | 28% | 0.278 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 124.6 | -173.9 | -70 | -176.1 | -178 | 77.7 | 0 | 112.5 | H63 D66 L82 L132 | H63-K69 HydrophobicContact CB-CB 3.66Å; H63-K69 PolarHBondContact N-O 2.89Å; D66-K69 PolarHBondContact O-N 2.88Å; D66-K69 VanDerWaalsContact O-N 3.16Å; D66-K69 IonicContact OD2-NZ 2.75Å; D66-K69 PolarHBondContact OD2-NZ 3.2Å; K69-L82 HydrophobicContact CG-CD2 3.87Å; K69-L132 HydrophobicContact CD-CD1 4.22Å |
| 70 | L | 91.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 123.6 | 178.1 | 175.5 | 60.9 | 0 | 0 | 0 | 110.3 | A28 L35 I37 L60 W62 L81 | A28-L70 HydrophobicContact CB-CD1 4.32Å; A28-L70 HydrophobicContact CB-CD2 3.94Å; L35-L70 HydrophobicContact CD1-CD2 4.38Å; L35-L70 HydrophobicContact CD2-CD2 4.03Å; I37-L70 HydrophobicContact CD1-CD2 4.31Å; L60-L70 HydrophobicContact CD1-CD1 3.9Å; L60-L70 HydrophobicContact CD1-CD2 4.36Å; L60-L70 HydrophobicContact CD1-CG 4.32Å; L60-L70 HydrophobicContact CG-CD1 4.25Å; W62-L70 HydrophobicContact CD2-CB 4.27Å; W62-L70 HydrophobicContact CD2-CD1 3.94Å; W62-L70 HydrophobicContact CE3-CB 3.9Å; W62-L70 HydrophobicContact CE3-CD1 4.44Å; W62-L70 HydrophobicContact CG-CD1 4.04Å; W62-L70 HydrophobicContact CH2-CB 4.43Å; W62-L70 HydrophobicContact CH2-CD2 4.36Å; W62-L70 HydrophobicContact CZ2-CD2 4.22Å; W62-L70 HydrophobicContact CZ3-CB 3.98Å; L70-L81 HydrophobicContact CB-CB 4.35Å; L70-L81 HydrophobicContact CD2-CD1 4.47Å; L70-L81 PolarHBondContact N-O 2.84Å; L70-L81 WeakPolarHBondContact O-CB 3.47Å; L70-L81 PolarHBondContact O-N 3.17Å |
| 71 | A | 92.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 137.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L60 A61 L80 L106 W108 I116 | L60-A71 WeakPolarHBondContact CA-O 3.4Å; A61-A71 PolarHBondContact N-O 2.72Å; A61-A71 VanDerWaalsContact N-O 3.07Å; A61-A71 PolarHBondContact O-N 2.9Å; A71-L80 HydrophobicContact CB-CD2 3.93Å; A71-L106 HydrophobicContact CB-CD1 4.05Å; A71-L106 HydrophobicContact CB-CD2 4.02Å; A71-W108 HydrophobicContact CB-CZ2 3.73Å; A71-I116 HydrophobicContact CB-CD1 3.68Å |
| 72 | I | 92.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 126.5 | 173.7 | -168.1 | 177.9 | 0 | 0 | 0 | 110.9 | C30 L51 C57 G59 L60 R74 C78 E79 L81 | C30-I72 WeakPolarHBondContact SG-CD1 3.25Å; L51-I72 HydrophobicContact CD1-CD1 3.93Å; C57-I72 VanDerWaalsContact SG-CG1 3.59Å; G59-I72 CarbonylContact O-C 3.5Å; G59-I72 WeakPolarHBondContact O-CA 3.16Å; L60-I72 HydrophobicContact CD1-CB 4.37Å; L60-I72 HydrophobicContact CD1-CG1 4.25Å; I72-R74 HydrophobicContact CD1-CG 3.93Å; I72-R74 HydrophobicContact CG1-CG 3.94Å; I72-C78 CarbonylContact O-C 3.27Å; I72-C78 WeakPolarHBondContact O-CA 3.44Å; I72-E79 HydrophobicContact CG2-CB 3.78Å; I72-E79 PolarHBondContact N-O 2.87Å; I72-E79 PolarHBondContact O-N 3.42Å; I72-L81 HydrophobicContact CB-CD1 4.27Å; I72-L81 HydrophobicContact CG2-CD1 3.67Å; I72-L81 HydrophobicContact CG2-CG 4.05Å |
| 73 | A | 90.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 116.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | S58 G59 I103 L106 | S58-A73 PolarHBondContact N-O 3.1Å; S58-A73 WeakPolarHBondContact OG-CB 3.36Å; S58-A73 PolarHBondContact OG-O 3.31Å; G59-A73 PolarHBondContact O-N 3.17Å; A73-I103 HydrophobicContact CB-CB 4.18Å; A73-I103 HydrophobicContact CB-CD1 4.49Å; A73-I103 HydrophobicContact CB-CG2 3.73Å; A73-L106 HydrophobicContact CB-CD2 3.8Å |
| 74 | R | 85.3 | Confident | 87.6 | Confident | 15 Ų | 15 | 40.2 Ų | 40.2 | 6% | 0.057 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 121.5 | 177.6 | -53.6 | -160.7 | -53.8 | -94.5 | -4.8 | 109.7 | S53 I72 N76 R77 E79 | S53-R74 PolarHBondContact OG-NE 2.88Å; I72-R74 HydrophobicContact CD1-CG 3.93Å; I72-R74 HydrophobicContact CG1-CG 3.94Å; R74-N76 PolarHBondContact O-N 2.94Å; R74-R77 PolarHBondContact N-O 2.93Å; R74-R77 PolarHBondContact O-N 2.86Å; R74-R77 VanDerWaalsContact O-O 3.07Å; R74-E79 IonicContact CZ-OE1 2.85Å; R74-E79 IonicContact CZ-OE2 2.92Å; R74-E79 IonicContact NH1-OE1 3.21Å; R74-E79 IonicContact NH1-OE2 3.08Å; R74-E79 PolarHBondContact NH1-OE2 3.21Å; R74-E79 IonicContact NH2-OE1 3.33Å; R74-E79 PolarHBondContact NH2-OE1 2.99Å; R74-E79 IonicContact NH2-OE2 2.79Å; R74-E79 PolarHBondContact NH2-OE2 3.29Å |
| 75 | R | 83.9 | Confident | 87 | Confident | 145 Ų | 145 | 40.6 Ų | 40.6 | 55% | 0.547 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | -110.7 | -176.3 | -168.5 | -174.7 | 178.9 | 140.1 | -6.5 | 110.8 | V102 I103 | R75-V102 HydrophobicContact CG-CG2 4.31Å; R75-V102 CarbonylContact O-C 3.58Å; R75-V102 VanDerWaalsContact O-CA 3.28Å; R75-V102 WeakPolarHBondContact O-CA 3.34Å; R75-I103 PolarHBondContact O-N 2.9Å |
| 76 | N | 86.3 | Confident | 86.5 | Confident | 33 Ų | 33 | 42.3 Ų | 42.3 | 18% | 0.176 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 22.3 | -175.2 | 69.8 | -48.3 | 0 | 0 | 0 | 113.6 | R74 Y99 R101 | R74-N76 PolarHBondContact O-N 2.94Å; N76-Y99 PolarHBondContact ND2-O 2.82Å; N76-R101 VanDerWaalsContact CB-O 3.25Å; N76-R101 WeakPolarHBondContact CB-O 3.14Å |
| 77 | R | 85.5 | Confident | 85.8 | Confident | 140 Ų | 140 | 46 Ų | 46 | 53% | 0.528 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 142.1 | 173.5 | -64.9 | -175.9 | 179.6 | -176.5 | -1 | 110.5 | R74 I103 | R74-R77 PolarHBondContact N-O 2.93Å; R74-R77 PolarHBondContact O-N 2.86Å; R74-R77 VanDerWaalsContact O-O 3.07Å; R77-I103 VanDerWaalsContact C-CD1 3.44Å |
| 78 | C | 89.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 112.9 | 165.8 | -178 | 0 | 0 | 0 | 0 | 108 | I72 S95 L96 I103 T118 | I72-C78 CarbonylContact O-C 3.27Å; I72-C78 WeakPolarHBondContact O-CA 3.44Å; C78-S95 CarbonylContact O-C 3.58Å; C78-L96 HydrophobicContact CB-CB 4.23Å; C78-L96 PolarHBondContact N-O 3.33Å; C78-L96 PolarHBondContact O-N 2.7Å; C78-I103 HydrophobicContact CB-CD1 3.91Å; C78-T118 HydrophobicContact CB-CG2 4.25Å |
| 79 | E | 89.2 | Confident | 84.8 | Confident | 26 Ų | 26 | 50.8 Ų | 50.8 | 12% | 0.121 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 142.5 | -179.1 | -74.8 | 164.8 | -148.8 | 0 | 0 | 110.6 | I72 R74 L81 | I72-E79 HydrophobicContact CG2-CB 3.78Å; I72-E79 PolarHBondContact N-O 2.87Å; I72-E79 PolarHBondContact O-N 3.42Å; R74-E79 IonicContact CZ-OE1 2.85Å; R74-E79 IonicContact CZ-OE2 2.92Å; R74-E79 IonicContact NH1-OE1 3.21Å; R74-E79 IonicContact NH1-OE2 3.08Å; R74-E79 PolarHBondContact NH1-OE2 3.21Å; R74-E79 IonicContact NH2-OE1 3.33Å; R74-E79 PolarHBondContact NH2-OE1 2.99Å; R74-E79 IonicContact NH2-OE2 2.79Å; R74-E79 PolarHBondContact NH2-OE2 3.29Å; E79-L81 HydrophobicContact CB-CD2 4.29Å |
| 80 | L | 90.2 | Very high | 84.4 | Confident | 14 Ų | 14 | 49.3 Ų | 49.3 | 7% | 0.073 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 109.4 | 177.9 | -64.2 | 174.6 | 0 | 0 | 0 | 107.8 | A71 N93 T94 L96 W108 L132 M135 | A71-L80 HydrophobicContact CB-CD2 3.93Å; L80-N93 WeakPolarHBondContact O-CB 3.3Å; L80-N93 PolarHBondContact O-N 2.68Å; L80-T94 PolarHBondContact N-O 2.9Å; L80-T94 PolarHBondContact O-N 2.78Å; L80-L96 HydrophobicContact CD1-CD1 4.12Å; L80-L96 HydrophobicContact CD1-CD2 4.14Å; L80-L96 HydrophobicContact CD1-CG 4.05Å; L80-L96 HydrophobicContact CG-CD1 4.41Å; L80-L96 HydrophobicContact CG-CG 4.4Å; L80-W108 HydrophobicContact CD2-CH2 3.88Å; L80-W108 HydrophobicContact CD2-CZ2 3.99Å; L80-L132 HydrophobicContact CD1-CD2 3.39Å; L80-M135 HydrophobicContact CD1-SD 4Å |
| 81 | L | 89.3 | Confident | 83.7 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 134.3 | -173.6 | -52.1 | 175.6 | 0 | 0 | 0 | 108.9 | L35 L70 I72 E79 L90 S91 T92 | L35-L81 HydrophobicContact CD2-CD1 3.68Å; L70-L81 HydrophobicContact CB-CB 4.35Å; L70-L81 HydrophobicContact CD2-CD1 4.47Å; L70-L81 PolarHBondContact N-O 2.84Å; L70-L81 WeakPolarHBondContact O-CB 3.47Å; L70-L81 PolarHBondContact O-N 3.17Å; I72-L81 HydrophobicContact CB-CD1 4.27Å; I72-L81 HydrophobicContact CG2-CD1 3.67Å; I72-L81 HydrophobicContact CG2-CG 4.05Å; E79-L81 HydrophobicContact CB-CD2 4.29Å; L81-L90 HydrophobicContact CB-CD1 4.03Å; L81-L90 HydrophobicContact CB-CD2 4.35Å; L81-L90 HydrophobicContact CB-CG 4.15Å; L81-L90 HydrophobicContact CD1-CD1 4.06Å; L81-L90 HydrophobicContact CD1-CD2 4Å; L81-L90 HydrophobicContact CD1-CG 4.44Å; L81-L90 HydrophobicContact CD2-CD2 4.15Å; L81-L90 HydrophobicContact CG-CD2 4.39Å; L81-S91 WeakPolarHBondContact CA-O 3.47Å; L81-T92 HydrophobicContact CD2-CG2 3.83Å |
| 82 | L | 88.6 | Confident | 82.7 | Confident | 50 Ų | 50 | 57.4 Ų | 57.4 | 26% | 0.262 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 119.8 | 170.2 | -76.9 | 171.8 | 0 | 0 | 0 | 109.5 | T68 K69 L90 S91 N93 | T68-L82 CarbonylContact O-C 3.53Å; T68-L82 VanDerWaalsContact O-CA 3.3Å; T68-L82 WeakPolarHBondContact O-CA 3.28Å; K69-L82 HydrophobicContact CG-CD2 3.87Å; L82-L90 WeakPolarHBondContact O-CA 3.4Å; L82-S91 WeakPolarHBondContact CB-OG 3.38Å; L82-S91 PolarHBondContact N-O 2.61Å; L82-S91 PolarHBondContact O-N 3.26Å; L82-S91 PolarHBondContact O-OG 3.49Å; L82-N93 HydrophobicContact CD1-CB 3.78Å; L82-N93 HydrophobicContact CG-CB 3.91Å |
| 83 | W | 86.3 | Confident | 81.6 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 2% | 0.023 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 115.4 | 174.6 | 172.5 | -115.4 | 0 | 0 | 0 | 109.8 | I37 F49 W62 T68 C88 R89 L90 | I37-W83 HydrophobicContact CB-CH2 4.13Å; I37-W83 HydrophobicContact CB-CZ2 4.39Å; I37-W83 HydrophobicContact CB-CZ3 4.22Å; I37-W83 HydrophobicContact CD1-CD2 3.78Å; I37-W83 HydrophobicContact CD1-CE3 3.46Å; I37-W83 VanDerWaalsContact CD1-CE3 3.46Å; I37-W83 HydrophobicContact CD1-CG 4.3Å; I37-W83 HydrophobicContact CD1-CZ3 3.87Å; I37-W83 HydrophobicContact CG2-CD2 4.22Å; I37-W83 HydrophobicContact CG2-CE3 4.44Å; I37-W83 HydrophobicContact CG2-CH2 3.87Å; I37-W83 HydrophobicContact CG2-CZ2 3.62Å; I37-W83 HydrophobicContact CG2-CZ3 4.27Å; F49-W83 HydrophobicContact CE2-CE3 4.43Å; F49-W83 AromaticContact CE2-CZ3 3.76Å; F49-W83 HydrophobicContact CE2-CZ3 3.76Å; F49-W83 AromaticContact CZ-CZ3 3.8Å; F49-W83 HydrophobicContact CZ-CZ3 3.8Å; W62-W83 HydrophobicContact CH2-CB 3.84Å; W62-W83 AromaticContact CH2-CD1 3.64Å; W62-W83 AromaticContact CH2-CG 3.72Å; W62-W83 HydrophobicContact CH2-CG 3.72Å; W62-W83 HydrophobicContact CZ3-CB 3.83Å; W62-W83 AromaticContact CZ3-CD1 3.96Å; W62-W83 HydrophobicContact CZ3-CG 4.09Å; T68-W83 PolarHBondContact O-N 3.3Å; W83-C88 HydrophobicContact CH2-CB 4Å; W83-C88 VanDerWaalsContact CZ3-C 3.44Å; W83-C88 WeakPolarHBondContact CZ3-O 3.4Å; W83-R89 VanDerWaalsContact CE3-O 3.32Å; W83-L90 HydrophobicContact CE3-CB 4.37Å |
| 84 | D | 82.1 | Confident | 81 | Confident | 64 Ų | 64 | 63.5 Ų | 63.5 | 34% | 0.342 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 114 | 167.9 | -167.8 | -42.5 | 0 | 0 | 0 | 109.1 | N86 E87 C88 R89 | D84-N86 VanDerWaalsContact C-N 3.28Å; D84-N86 PolarHBondContact O-N 2.81Å; D84-N86 WeakPolarHBondContact OD1-CA 3.29Å; D84-N86 WeakPolarHBondContact OD1-CB 3.48Å; D84-N86 PolarHBondContact OD1-N 3.03Å; D84-E87 HydrophobicContact CB-CB 4.25Å; D84-E87 PolarHBondContact OD1-N 2.83Å; D84-C88 VanDerWaalsContact O-CA 3.25Å; D84-C88 WeakPolarHBondContact O-CA 3.5Å; D84-C88 PolarHBondContact O-N 2.84Å; D84-R89 PolarHBondContact N-O 2.77Å; D84-R89 PolarHBondContact O-N 3.3Å |
| 85 | V | 75 | Confident | 80.9 | Confident | 48 Ų | 48 | 65.8 Ų | 65.8 | 29% | 0.291 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -29.5 | 179.4 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 86 | N | 73.3 | Confident | 80.9 | Confident | 151 Ų | 151 | 58.9 Ų | 58.9 | 81% | 0.807 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -46.2 | -175.4 | -51.8 | -55.7 | 0 | 0 | 0 | 111.2 | D84 C88 | D84-N86 VanDerWaalsContact C-N 3.28Å; D84-N86 PolarHBondContact O-N 2.81Å; D84-N86 WeakPolarHBondContact OD1-CA 3.29Å; D84-N86 WeakPolarHBondContact OD1-CB 3.48Å; D84-N86 PolarHBondContact OD1-N 3.03Å; N86-C88 VanDerWaalsContact C-N 3.25Å; N86-C88 PolarHBondContact O-N 2.86Å |
| 87 | E | 70.7 | Confident | 80.2 | Confident | 110 Ų | 110 | 58.5 Ų | 58.5 | 51% | 0.514 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -12.4 | 174.8 | -65.2 | -152.5 | 133 | 0 | 0 | 112.8 | D84 R89 | D84-E87 HydrophobicContact CB-CB 4.25Å; D84-E87 PolarHBondContact OD1-N 2.83Å; E87-R89 HydrophobicContact CB-CB 4.06Å; E87-R89 HydrophobicContact CB-CG 3.97Å; E87-R89 PolarHBondContact O-N 3.15Å; E87-R89 IonicContact OE1-CZ 3.97Å; E87-R89 IonicContact OE1-NH1 3.77Å; E87-R89 PolarHBondContact OE1-NH1 3.07Å; E87-R89 WeakPolarHBondContact OE2-CD 3.39Å; E87-R89 IonicContact OE2-CZ 2.87Å; E87-R89 IonicContact OE2-NE 3.87Å; E87-R89 IonicContact OE2-NH1 3.38Å; E87-R89 PolarHBondContact OE2-NH1 3.1Å |
| 88 | C | 74.4 | Confident | 79.6 | Confident | 50 Ų | 50 | 54.3 Ų | 54.3 | 34% | 0.338 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 36.1 | -169.7 | -71.8 | 0 | 0 | 0 | 0 | 112.3 | S47 W83 D84 N86 | S47-C88 PolarHBondContact OG-O 2.91Å; W83-C88 HydrophobicContact CH2-CB 4Å; W83-C88 VanDerWaalsContact CZ3-C 3.44Å; W83-C88 WeakPolarHBondContact CZ3-O 3.4Å; D84-C88 VanDerWaalsContact O-CA 3.25Å; D84-C88 WeakPolarHBondContact O-CA 3.5Å; D84-C88 PolarHBondContact O-N 2.84Å; N86-C88 VanDerWaalsContact C-N 3.25Å; N86-C88 PolarHBondContact O-N 2.86Å |
| 89 | R | 76.2 | Confident | 79.3 | Confident | 147 Ų | 147 | 54.6 Ų | 54.6 | 56% | 0.555 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 150.5 | -177.2 | -75.7 | -171.5 | -171.9 | 139.6 | -1.2 | 111.7 | W83 D84 E87 | W83-R89 VanDerWaalsContact CE3-O 3.32Å; D84-R89 PolarHBondContact N-O 2.77Å; D84-R89 PolarHBondContact O-N 3.3Å; E87-R89 HydrophobicContact CB-CB 4.06Å; E87-R89 HydrophobicContact CB-CG 3.97Å; E87-R89 PolarHBondContact O-N 3.15Å; E87-R89 IonicContact OE1-CZ 3.97Å; E87-R89 IonicContact OE1-NH1 3.77Å; E87-R89 PolarHBondContact OE1-NH1 3.07Å; E87-R89 WeakPolarHBondContact OE2-CD 3.39Å; E87-R89 IonicContact OE2-CZ 2.87Å; E87-R89 IonicContact OE2-NE 3.87Å; E87-R89 IonicContact OE2-NH1 3.38Å; E87-R89 PolarHBondContact OE2-NH1 3.1Å |
| 90 | L | 79 | Confident | 78.9 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 18% | 0.178 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 122.1 | 176.4 | -175.3 | 123.8 | 0 | 0 | 0 | 109.2 | L35 I37 F49 L81 L82 W83 | L35-L90 HydrophobicContact CD2-CD1 3.68Å; L35-L90 HydrophobicContact CD2-CD2 4.32Å; I37-L90 HydrophobicContact CD1-CD1 3.61Å; F49-L90 HydrophobicContact CD1-CB 4Å; F49-L90 HydrophobicContact CD2-CB 3.99Å; F49-L90 HydrophobicContact CE1-CB 3.8Å; F49-L90 HydrophobicContact CE2-CB 3.77Å; F49-L90 HydrophobicContact CG-CB 4.1Å; F49-L90 HydrophobicContact CG-CD2 4.45Å; F49-L90 HydrophobicContact CZ-CB 3.68Å; L81-L90 HydrophobicContact CB-CD1 4.03Å; L81-L90 HydrophobicContact CB-CD2 4.35Å; L81-L90 HydrophobicContact CB-CG 4.15Å; L81-L90 HydrophobicContact CD1-CD1 4.06Å; L81-L90 HydrophobicContact CD1-CD2 4Å; L81-L90 HydrophobicContact CD1-CG 4.44Å; L81-L90 HydrophobicContact CD2-CD2 4.15Å; L81-L90 HydrophobicContact CG-CD2 4.39Å; L82-L90 WeakPolarHBondContact O-CA 3.4Å; W83-L90 HydrophobicContact CE3-CB 4.37Å |
| 91 | S | 77.9 | Confident | 78.8 | Confident | 66 Ų | 66 | 63.8 Ų | 63.8 | 46% | 0.462 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 142.6 | 177.1 | 56.6 | 0 | 0 | 0 | 0 | 110.8 | L81 L82 N93 | L81-S91 WeakPolarHBondContact CA-O 3.47Å; L82-S91 WeakPolarHBondContact CB-OG 3.38Å; L82-S91 PolarHBondContact N-O 2.61Å; L82-S91 PolarHBondContact O-N 3.26Å; L82-S91 PolarHBondContact O-OG 3.49Å; S91-N93 PolarHBondContact O-N 3.42Å |
| 92 | T | 72.1 | Confident | 78.8 | Confident | 104 Ų | 104 | 66.8 Ų | 66.8 | 64% | 0.638 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 114 | 173 | 50.3 | 0 | 0 | 0 | 0 | 109.1 | L81 | L81-T92 HydrophobicContact CD2-CG2 3.83Å |
| 93 | N | 69.2 | Low | 78.9 | Confident | 86 Ų | 86 | 64.4 Ų | 64.4 | 46% | 0.46 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -59.7 | 177 | -173.8 | 6.6 | 0 | 0 | 0 | 110.3 | L80 L82 S91 | L80-N93 WeakPolarHBondContact O-CB 3.3Å; L80-N93 PolarHBondContact O-N 2.68Å; L82-N93 HydrophobicContact CD1-CB 3.78Å; L82-N93 HydrophobicContact CG-CB 3.91Å; S91-N93 PolarHBondContact O-N 3.42Å |
| 94 | T | 78.3 | Confident | 79.2 | Confident | 41 Ų | 41 | 66.1 Ų | 66.1 | 25% | 0.252 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 163.3 | -176.5 | 52.1 | 0 | 0 | 0 | 0 | 112 | L80 M135 | L80-T94 PolarHBondContact N-O 2.9Å; L80-T94 PolarHBondContact O-N 2.78Å; T94-M135 HydrophobicContact CG2-CE 3.68Å; T94-M135 HydrophobicContact CG2-SD 3.92Å; T94-M135 PolarHBondContact OG1-SD 3.41Å |
| 95 | S | 82.4 | Confident | 79.7 | Confident | 63 Ų | 63 | 63.8 Ų | 63.8 | 44% | 0.441 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 118.6 | 171.8 | 67.1 | 0 | 0 | 0 | 0 | 111.4 | C78 G97 | C78-S95 CarbonylContact O-C 3.58Å; S95-G97 PolarHBondContact O-N 2.82Å |
| 96 | L | 83.7 | Confident | 80.7 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 115 | 169.7 | -50.5 | 175 | 0 | 0 | 0 | 108.1 | C78 L80 I116 W130 M135 | C78-L96 HydrophobicContact CB-CB 4.23Å; C78-L96 PolarHBondContact N-O 3.33Å; C78-L96 PolarHBondContact O-N 2.7Å; L80-L96 HydrophobicContact CD1-CD1 4.12Å; L80-L96 HydrophobicContact CD1-CD2 4.14Å; L80-L96 HydrophobicContact CD1-CG 4.05Å; L80-L96 HydrophobicContact CG-CD1 4.41Å; L80-L96 HydrophobicContact CG-CG 4.4Å; L96-I116 HydrophobicContact CD1-CG2 3.69Å; L96-W130 HydrophobicContact CB-CD2 4.04Å; L96-W130 HydrophobicContact CB-CE3 4.26Å; L96-W130 HydrophobicContact CB-CG 4.5Å; L96-W130 HydrophobicContact CB-CH2 4.48Å; L96-W130 HydrophobicContact CB-CZ2 4.29Å; L96-W130 HydrophobicContact CB-CZ3 4.46Å; L96-W130 HydrophobicContact CD1-CB 4.03Å; L96-W130 HydrophobicContact CD1-CD2 4.25Å; L96-W130 HydrophobicContact CD1-CG 3.85Å; L96-W130 HydrophobicContact CD2-CB 4.31Å; L96-W130 HydrophobicContact CD2-CD2 4.07Å; L96-W130 HydrophobicContact CD2-CE3 3.88Å; L96-W130 HydrophobicContact CD2-CG 4.27Å; L96-W130 HydrophobicContact CG-CD2 4.34Å; L96-W130 HydrophobicContact CG-CG 4.44Å; L96-M135 HydrophobicContact CD2-CB 4.09Å; L96-M135 HydrophobicContact CD2-CG 3.94Å; L96-M135 HydrophobicContact CD2-SD 4.38Å |
| 97 | G | 71.8 | Confident | 81.7 | Confident | 24 Ų | 24 | 56.9 Ų | 56.9 | 25% | 0.247 | 32% | 0.322 | C | S | . | . | trans | -130.5 | -172.3 | -161.1 | 0 | 0 | 0 | 0 | 0 | 116 | S95 R125 W130 | S95-G97 PolarHBondContact O-N 2.82Å; G97-R125 PolarHBondContact O-NH1 2.95Å; G97-W130 VanDerWaalsContact O-CH2 3.31Å; G97-W130 WeakPolarHBondContact O-CH2 3.41Å | ||
| 98 | G | 73.7 | Confident | 82.8 | Confident | 53 Ų | 53 | 52.1 Ų | 52.1 | 55% | 0.546 | 30% | 0.3 | S | S | . | . | trans | 78.4 | 23.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R125 | G98-R125 VanDerWaalsContact O-CD 3.25Å; G98-R125 WeakPolarHBondContact O-CD 3.16Å; G98-R125 VanDerWaalsContact O-CZ 3.25Å; G98-R125 PolarHBondContact O-NE 2.98Å; G98-R125 PolarHBondContact O-NH1 2.87Å; G98-R125 VanDerWaalsContact O-NH1 3.13Å | ||
| 99 | Y | 81.6 | Confident | 83.7 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | trans | -82 | 138.3 | 163 | -64.5 | -82 | 0 | 0 | 0 | 110.5 | N76 R101 I103 T118 R125 C128 W130 | N76-Y99 PolarHBondContact ND2-O 2.82Å; Y99-R101 WeakPolarHBondContact CB-O 3.41Å; Y99-I103 HydrophobicContact CD2-CD1 3.59Å; Y99-I103 HydrophobicContact CD2-CG1 3.78Å; Y99-I103 HydrophobicContact CE2-CD1 3.49Å; Y99-I103 VanDerWaalsContact CE2-CD1 3.49Å; Y99-I103 HydrophobicContact CE2-CG1 3.87Å; Y99-I103 HydrophobicContact CG-CD1 4.42Å; Y99-I103 HydrophobicContact CG-CG1 4.11Å; Y99-T118 VanDerWaalsContact OH-CB 3.3Å; Y99-T118 WeakPolarHBondContact OH-CB 3.43Å; Y99-T118 PolarHBondContact OH-OG1 3.06Å; Y99-R125 HydrophobicContact CD1-CB 3.85Å; Y99-R125 HydrophobicContact CE1-CB 3.92Å; Y99-R125 WeakPolarHBondContact CE1-O 3.45Å; Y99-C128 HydrophobicContact CE1-CB 4.41Å; Y99-C128 VanDerWaalsContact OH-CB 3.27Å; Y99-C128 WeakPolarHBondContact OH-CB 3.49Å; Y99-W130 HydrophobicContact CE2-CZ2 4.13Å; Y99-W130 PolarHBondContact OH-NE1 3.19Å | ||
| 100 | V | 81.4 | Confident | 84.3 | Confident | 95 Ų | 95 | 45.4 Ų | 45.4 | 58% | 0.576 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -80.6 | -31.1 | 171.7 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | D122 | V100-D122 WeakPolarHBondContact CB-OD2 3.41Å; V100-D122 PolarHBondContact N-OD2 2.95Å; V100-D122 VanDerWaalsContact N-OD2 3.13Å |
| 101 | R | 87.8 | Confident | 84.7 | Confident | 138 Ų | 138 | 46.5 Ų | 46.5 | 52% | 0.521 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -120.2 | 176.3 | -175.9 | -58.4 | -177.1 | 172.8 | 170.9 | -3.8 | 113.2 | N76 Y99 S120 T121 D122 | N76-R101 VanDerWaalsContact CB-O 3.25Å; N76-R101 WeakPolarHBondContact CB-O 3.14Å; Y99-R101 WeakPolarHBondContact CB-O 3.41Å; R101-S120 PolarHBondContact O-OG 2.87Å; R101-T121 WeakPolarHBondContact CB-OG1 3.32Å; R101-T121 WeakPolarHBondContact CD-O 3.44Å; R101-T121 PolarHBondContact NH1-O 2.78Å; R101-D122 HydrophobicContact CB-CB 4.39Å |
| 102 | V | 89 | Confident | 85.2 | Confident | 66 Ų | 66 | 46.4 Ų | 46.4 | 40% | 0.4 | 28% | 0.275 | S | S | . | . | trans | -64.6 | 136.4 | -176.2 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | R75 S120 T121 | R75-V102 HydrophobicContact CG-CG2 4.31Å; R75-V102 CarbonylContact O-C 3.58Å; R75-V102 VanDerWaalsContact O-CA 3.28Å; R75-V102 WeakPolarHBondContact O-CA 3.34Å; V102-S120 VanDerWaalsContact O-CA 3.31Å; V102-S120 WeakPolarHBondContact O-CA 3.32Å; V102-S120 PolarHBondContact O-OG 3.05Å; V102-T121 PolarHBondContact N-OG1 3.49Å; V102-T121 PolarHBondContact O-N 2.8Å; V102-T121 PolarHBondContact O-OG1 2.8Å | ||
| 103 | I | 91.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 130.6 | 167.5 | -57.4 | 175.4 | 0 | 0 | 0 | 107.2 | S58 A73 R75 R77 C78 Y99 T119 | S58-I103 WeakPolarHBondContact CB-O 3.4Å; S58-I103 PolarHBondContact OG-O 2.78Å; A73-I103 HydrophobicContact CB-CB 4.18Å; A73-I103 HydrophobicContact CB-CD1 4.49Å; A73-I103 HydrophobicContact CB-CG2 3.73Å; R75-I103 PolarHBondContact O-N 2.9Å; R77-I103 VanDerWaalsContact C-CD1 3.44Å; C78-I103 HydrophobicContact CB-CD1 3.91Å; Y99-I103 HydrophobicContact CD2-CD1 3.59Å; Y99-I103 HydrophobicContact CD2-CG1 3.78Å; Y99-I103 HydrophobicContact CE2-CD1 3.49Å; Y99-I103 VanDerWaalsContact CE2-CD1 3.49Å; Y99-I103 HydrophobicContact CE2-CG1 3.87Å; Y99-I103 HydrophobicContact CG-CD1 4.42Å; Y99-I103 HydrophobicContact CG-CG1 4.11Å; I103-T119 CarbonylContact C-O 3.59Å; I103-T119 WeakPolarHBondContact CA-O 3.49Å; I103-T119 VanDerWaalsContact CG2-O 3.24Å; I103-T119 WeakPolarHBondContact CG2-O 3.36Å |
| 104 | N | 91.9 | Very high | 86.9 | Confident | 41 Ų | 41 | 43.3 Ų | 43.3 | 22% | 0.219 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -34.3 | -174.3 | -62.5 | -25 | 0 | 0 | 0 | 112.6 | T119 T121 P148 I149 | N104-T119 PolarHBondContact N-O 3.08Å; N104-T121 WeakPolarHBondContact ND2-CG2 3.42Å; N104-P148 PolarHBondContact ND2-O 3.31Å; N104-I149 WeakPolarHBondContact CB-O 3.26Å |
| 105 | S | 93.5 | Very high | 87.6 | Confident | 15 Ų | 15 | 42.1 Ų | 42.1 | 11% | 0.105 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 148.9 | -177.5 | 166.2 | 0 | 0 | 0 | 0 | 110.4 | T119 I149 V151 | S105-T119 WeakPolarHBondContact CB-OG1 3.21Å; S105-T119 PolarHBondContact N-OG1 3.29Å; S105-T119 VanDerWaalsContact N-OG1 3.17Å; S105-T119 PolarHBondContact O-N 3.24Å; S105-T119 PolarHBondContact O-OG1 2.96Å; S105-I149 VanDerWaalsContact CB-O 3.31Å; S105-I149 WeakPolarHBondContact CB-O 3.36Å; S105-V151 PolarHBondContact OG-N 2.83Å |
| 106 | L | 94.6 | Very high | 88.1 | Confident | 13 Ų | 13 | 39.1 Ų | 39.1 | 7% | 0.068 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 154.3 | 170.7 | 70.7 | 84.8 | 0 | 0 | 0 | 109.9 | G59 A61 A71 A73 I116 A117 T118 | G59-L106 WeakPolarHBondContact O-CD2 2.91Å; A61-L106 HydrophobicContact CB-CD1 3.56Å; A71-L106 HydrophobicContact CB-CD1 4.05Å; A71-L106 HydrophobicContact CB-CD2 4.02Å; A73-L106 HydrophobicContact CB-CD2 3.8Å; L106-I116 HydrophobicContact CD1-CD1 4.32Å; L106-A117 CarbonylContact C-O 3.59Å; L106-A117 VanDerWaalsContact CA-O 3.29Å; L106-A117 WeakPolarHBondContact CA-O 3.28Å; L106-T118 HydrophobicContact CB-CG2 3.78Å |
| 107 | D | 95.1 | Very high | 88.6 | Confident | 41 Ų | 41 | 39 Ų | 39 | 22% | 0.219 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 145.4 | 168.5 | -170 | 31 | 0 | 0 | 0 | 112.2 | A117 V151 K152 W153 | D107-A117 PolarHBondContact N-O 2.71Å; D107-A117 PolarHBondContact O-N 2.87Å; D107-V151 HydrophobicContact CB-CG1 4.3Å; D107-K152 VanDerWaalsContact OD2-CA 3.24Å; D107-K152 WeakPolarHBondContact OD2-CA 3.28Å; D107-W153 PolarHBondContact O-NE1 3.33Å; D107-W153 PolarHBondContact OD2-N 2.66Å |
| 108 | W | 94.1 | Very high | 89.7 | Confident | 10 Ų | 10 | 37.9 Ų | 37.9 | 4% | 0.038 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 143.1 | 178.1 | -71 | 105.3 | 0 | 0 | 0 | 110.9 | A61 W62 H63 P64 A71 L80 P110 I116 L132 | A61-W108 PolarHBondContact O-NE1 2.85Å; W62-W108 PolarHBondContact O-NE1 2.81Å; H63-W108 HydrophobicContact CB-CD2 4.41Å; H63-W108 HydrophobicContact CB-CH2 4.42Å; H63-W108 HydrophobicContact CB-CZ2 4.02Å; H63-W108 AromaticContact CD2-CE3 3.89Å; H63-W108 AromaticContact CD2-CH2 3.91Å; H63-W108 AromaticContact CD2-CZ3 3.66Å; P64-W108 HydrophobicContact CG-CB 4.23Å; A71-W108 HydrophobicContact CB-CZ2 3.73Å; L80-W108 HydrophobicContact CD2-CH2 3.88Å; L80-W108 HydrophobicContact CD2-CZ2 3.99Å; W108-P110 WeakPolarHBondContact O-CD 3.2Å; W108-I116 HydrophobicContact CD2-CB 4.23Å; W108-I116 HydrophobicContact CD2-CD1 4.26Å; W108-I116 HydrophobicContact CD2-CG1 4.28Å; W108-I116 HydrophobicContact CE3-CB 3.73Å; W108-I116 HydrophobicContact CE3-CD1 4.47Å; W108-I116 HydrophobicContact CE3-CG1 4.28Å; W108-I116 HydrophobicContact CH2-CB 4.41Å; W108-I116 HydrophobicContact CH2-CD1 4.29Å; W108-I116 HydrophobicContact CZ2-CD1 4.1Å; W108-I116 HydrophobicContact CZ3-CB 3.81Å; W108-I116 HydrophobicContact CZ3-CD1 4.46Å; W108-I116 HydrophobicContact CZ3-CG2 4.32Å; W108-L132 HydrophobicContact CH2-CD1 3.92Å; W108-L132 HydrophobicContact CH2-CD2 4.1Å; W108-L132 HydrophobicContact CH2-CG 4.39Å; W108-L132 HydrophobicContact CZ3-CD1 3.83Å; W108-L132 HydrophobicContact CZ3-CD2 4.19Å; W108-L132 HydrophobicContact CZ3-CG 4.13Å |
| 109 | S | 93.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | trans | -71.8 | 121.4 | 171 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | V111 H112 L115 | S109-V111 PolarHBondContact O-N 3.49Å; S109-H112 WeakPolarHBondContact CB-O 3.26Å; S109-H112 PolarHBondContact OG-N 3.34Å; S109-L115 PolarHBondContact N-O 3.4Å | ||
| 110 | P | 87.9 | Confident | 91.2 | Very high | 56 Ų | 56 | 35.1 Ų | 35.1 | 36% | 0.364 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -72.1 | -15.5 | 178.5 | 28.7 | -32.7 | 0 | 0 | 0 | 112.7 | W108 | W108-P110 WeakPolarHBondContact O-CD 3.2Š|
| 111 | V | 87.3 | Confident | 91.6 | Very high | 56 Ų | 56 | 32.5 Ų | 32.5 | 34% | 0.339 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -100.7 | -25.7 | -179 | -167.5 | 0 | 0 | 0 | 0 | 112 | S109 | S109-V111 PolarHBondContact O-N 3.49Š|
| 112 | H | 88.9 | Confident | 91.6 | Very high | 64 Ų | 64 | 26.6 Ų | 26.6 | 30% | 0.296 | 15% | 0.146 | S | C | . | . | trans | -128.5 | 94.1 | -178.1 | -76.4 | -10.3 | 0 | 0 | 0 | 110.3 | S109 F114 L115 | S109-H112 WeakPolarHBondContact CB-O 3.26Å; S109-H112 PolarHBondContact OG-N 3.34Å; H112-F114 PolarHBondContact O-N 2.83Å; H112-F114 VanDerWaalsContact O-N 3.08Å; H112-L115 HydrophobicContact CB-CB 4.27Å; H112-L115 HydrophobicContact CB-CD1 3.84Å; H112-L115 HydrophobicContact CB-CG 3.96Å; H112-L115 PolarHBondContact O-N 3.49Å | ||
| 113 | P | 87.1 | Confident | 91.4 | Very high | 31 Ų | 31 | 27.7 Ų | 27.7 | 20% | 0.201 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -34.2 | -169.3 | 19.7 | -32.2 | 0 | 0 | 0 | 113.7 | H63 L115 | H63-P113 PolarHBondContact CD2-O 2.74Å; H63-P113 WeakPolarHBondContact NE2-CB 3.37Å; H63-P113 PolarHBondContact NE2-O 3.42Å; P113-L115 PolarHBondContact O-N 2.88Å |
| 114 | F | 89.8 | Confident | 91.1 | Very high | 94 Ų | 94 | 33.8 Ų | 33.8 | 41% | 0.412 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -8.9 | 178.9 | -50.9 | -69.2 | 0 | 0 | 0 | 114.5 | H112 D131 L132 R133 | H112-F114 PolarHBondContact O-N 2.83Å; H112-F114 VanDerWaalsContact O-N 3.08Å; F114-D131 WeakPolarHBondContact CB-OD1 3.4Å; F114-D131 CarbonylContact O-C 3.57Å; F114-D131 VanDerWaalsContact O-CA 3.31Å; F114-D131 WeakPolarHBondContact O-CA 3.41Å; F114-L132 HydrophobicContact CB-CB 4.34Å; F114-L132 HydrophobicContact CD1-CB 4.32Å; F114-L132 WeakPolarHBondContact O-CG 3.12Å; F114-L132 PolarHBondContact O-N 3.46Å; F114-R133 HydrophobicContact CB-CG 4.39Å; F114-R133 HydrophobicContact CD1-CG 4.03Å; F114-R133 HydrophobicContact CG-CG 4.09Å |
| 115 | L | 92.7 | Very high | 90.9 | Very high | 16 Ų | 16 | 35.3 Ų | 35.3 | 8% | 0.084 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 125.8 | -176 | -62.9 | -174.8 | 0 | 0 | 0 | 112.9 | S109 H112 P113 V129 W130 D131 W153 L174 | S109-L115 PolarHBondContact N-O 3.4Å; H112-L115 HydrophobicContact CB-CB 4.27Å; H112-L115 HydrophobicContact CB-CD1 3.84Å; H112-L115 HydrophobicContact CB-CG 3.96Å; H112-L115 PolarHBondContact O-N 3.49Å; P113-L115 PolarHBondContact O-N 2.88Å; L115-V129 HydrophobicContact CD2-CG1 4.36Å; L115-W130 WeakPolarHBondContact CA-O 3.4Å; L115-D131 HydrophobicContact CD2-CB 4Å; L115-W153 HydrophobicContact CB-CH2 4.17Å; L115-W153 HydrophobicContact CB-CZ2 4.08Å; L115-W153 HydrophobicContact CD1-CH2 4.06Å; L115-L174 HydrophobicContact CD1-CD1 4.01Å |
| 116 | I | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129.4 | 170.9 | -174 | 174.6 | 0 | 0 | 0 | 109.9 | A71 L96 L106 W108 V129 W130 | A71-I116 HydrophobicContact CB-CD1 3.68Å; L96-I116 HydrophobicContact CD1-CG2 3.69Å; L106-I116 HydrophobicContact CD1-CD1 4.32Å; W108-I116 HydrophobicContact CD2-CB 4.23Å; W108-I116 HydrophobicContact CD2-CD1 4.26Å; W108-I116 HydrophobicContact CD2-CG1 4.28Å; W108-I116 HydrophobicContact CE3-CB 3.73Å; W108-I116 HydrophobicContact CE3-CD1 4.47Å; W108-I116 HydrophobicContact CE3-CG1 4.28Å; W108-I116 HydrophobicContact CH2-CB 4.41Å; W108-I116 HydrophobicContact CH2-CD1 4.29Å; W108-I116 HydrophobicContact CZ2-CD1 4.1Å; W108-I116 HydrophobicContact CZ3-CB 3.81Å; W108-I116 HydrophobicContact CZ3-CD1 4.46Å; W108-I116 HydrophobicContact CZ3-CG2 4.32Å; I116-V129 WeakPolarHBondContact O-CA 3.17Å; I116-W130 HydrophobicContact CG2-CB 3.86Å; I116-W130 HydrophobicContact CG2-CG 4.49Å; I116-W130 PolarHBondContact N-O 2.86Å; I116-W130 VanDerWaalsContact N-O 3.15Å; I116-W130 PolarHBondContact O-N 2.77Å |
| 117 | A | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 143.8 | 172 | 0 | 0 | 0 | 0 | 0 | 109.8 | L106 D107 V129 V151 W153 | L106-A117 CarbonylContact C-O 3.59Å; L106-A117 VanDerWaalsContact CA-O 3.29Å; L106-A117 WeakPolarHBondContact CA-O 3.28Å; D107-A117 PolarHBondContact N-O 2.71Å; D107-A117 PolarHBondContact O-N 2.87Å; A117-V129 HydrophobicContact CB-CG2 4.22Å; A117-V151 HydrophobicContact CB-CG1 4.34Å; A117-V151 HydrophobicContact CB-CG2 3.77Å; A117-W153 HydrophobicContact CB-CZ2 3.84Å |
| 118 | T | 94.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 140.7 | -177.6 | 36.5 | 0 | 0 | 0 | 0 | 109.2 | C78 Y99 L106 I127 C128 W130 | C78-T118 HydrophobicContact CB-CG2 4.25Å; Y99-T118 VanDerWaalsContact OH-CB 3.3Å; Y99-T118 WeakPolarHBondContact OH-CB 3.43Å; Y99-T118 PolarHBondContact OH-OG1 3.06Å; L106-T118 HydrophobicContact CB-CG2 3.78Å; T118-I127 WeakPolarHBondContact O-CA 3.36Å; T118-C128 PolarHBondContact N-O 3.16Å; T118-C128 PolarHBondContact O-N 3.01Å; T118-C128 PolarHBondContact OG1-O 3.05Å; T118-W130 VanDerWaalsContact OG1-CD1 3.26Å; T118-W130 PolarHBondContact OG1-NE1 2.84Å |
| 119 | T | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 142.5 | -176.5 | 47.6 | 0 | 0 | 0 | 0 | 110.9 | I103 N104 S105 A126 I127 P148 V151 T163 | I103-T119 CarbonylContact C-O 3.59Å; I103-T119 WeakPolarHBondContact CA-O 3.49Å; I103-T119 VanDerWaalsContact CG2-O 3.24Å; I103-T119 WeakPolarHBondContact CG2-O 3.36Å; N104-T119 PolarHBondContact N-O 3.08Å; S105-T119 WeakPolarHBondContact CB-OG1 3.21Å; S105-T119 PolarHBondContact N-OG1 3.29Å; S105-T119 VanDerWaalsContact N-OG1 3.17Å; S105-T119 PolarHBondContact O-N 3.24Å; S105-T119 PolarHBondContact O-OG1 2.96Å; T119-A126 CarbonylContact C-O 3.38Å; T119-A126 WeakPolarHBondContact CA-O 3.38Å; T119-I127 HydrophobicContact CG2-CG1 4.36Å; T119-I127 HydrophobicContact CG2-CG2 4.31Å; T119-P148 HydrophobicContact CG2-CB 3.74Å; T119-P148 HydrophobicContact CG2-CG 3.83Å; T119-V151 HydrophobicContact CG2-CB 3.62Å; T119-V151 HydrophobicContact CG2-CG1 3.77Å; T119-T163 HydrophobicContact CG2-CG2 4.12Å |
| 120 | S | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 159.2 | -179.7 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | R101 V102 D122 R125 A126 P148 | R101-S120 PolarHBondContact O-OG 2.87Å; V102-S120 VanDerWaalsContact O-CA 3.31Å; V102-S120 WeakPolarHBondContact O-CA 3.32Å; V102-S120 PolarHBondContact O-OG 3.05Å; S120-D122 PolarHBondContact O-N 3.16Å; S120-D122 WeakPolarHBondContact OG-CB 3.18Å; S120-D122 PolarHBondContact OG-N 3.02Å; S120-D122 VanDerWaalsContact OG-N 3.15Å; S120-R125 WeakPolarHBondContact CB-O 3.11Å; S120-A126 PolarHBondContact N-O 3.33Å; S120-P148 WeakPolarHBondContact O-CD 3.44Å |
| 121 | T | 89.5 | Confident | 90.7 | Very high | 40 Ų | 40 | 30 Ų | 30 | 25% | 0.245 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -72.7 | -4.4 | 164.1 | 45.3 | 0 | 0 | 0 | 0 | 113.5 | R101 V102 N104 | R101-T121 WeakPolarHBondContact CB-OG1 3.32Å; R101-T121 WeakPolarHBondContact CD-O 3.44Å; R101-T121 PolarHBondContact NH1-O 2.78Å; V102-T121 PolarHBondContact N-OG1 3.49Å; V102-T121 PolarHBondContact O-N 2.8Å; V102-T121 PolarHBondContact O-OG1 2.8Å; N104-T121 WeakPolarHBondContact ND2-CG2 3.42Å |
| 122 | D | 87.8 | Confident | 90.8 | Very high | 14 Ų | 14 | 28.6 Ų | 28.6 | 8% | 0.075 | 14% | 0.135 | C | C | . | . | trans | -61.9 | 147.5 | 170.2 | -158.3 | -44.1 | 0 | 0 | 0 | 111.2 | V100 R101 S120 F124 R125 A126 | V100-D122 WeakPolarHBondContact CB-OD2 3.41Å; V100-D122 PolarHBondContact N-OD2 2.95Å; V100-D122 VanDerWaalsContact N-OD2 3.13Å; R101-D122 HydrophobicContact CB-CB 4.39Å; S120-D122 PolarHBondContact O-N 3.16Å; S120-D122 WeakPolarHBondContact OG-CB 3.18Å; S120-D122 PolarHBondContact OG-N 3.02Å; S120-D122 VanDerWaalsContact OG-N 3.15Å; D122-F124 PolarHBondContact OD1-N 3.43Å; D122-R125 HydrophobicContact CB-CB 4.21Å; D122-R125 PolarHBondContact OD1-N 2.86Å; D122-A126 WeakPolarHBondContact O-CA 3.49Å; D122-A126 WeakPolarHBondContact O-CB 2.99Å; D122-A126 PolarHBondContact O-N 2.66Å | ||
| 123 | Q | 85.4 | Confident | 90.7 | Very high | 89 Ų | 89 | 34 Ų | 34 | 42% | 0.416 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -84.5 | -40.7 | 177.9 | -179.3 | 177.5 | -23.3 | 0 | 0 | 111.7 | E143 S144 | Q123-E143 VanDerWaalsContact O-CA 3.27Å; Q123-E143 WeakPolarHBondContact O-CA 3.43Å; Q123-S144 PolarHBondContact O-N 2.89Å |
| 124 | F | 83.8 | Confident | 90.6 | Very high | 128 Ų | 128 | 35.1 Ų | 35.1 | 56% | 0.561 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -24.8 | -175.5 | -63.4 | -75.9 | 0 | 0 | 0 | 112.4 | D122 E143 | D122-F124 PolarHBondContact OD1-N 3.43Å; F124-E143 WeakPolarHBondContact CD1-OE1 3.36Å |
| 125 | R | 87.8 | Confident | 90.3 | Very high | 74 Ų | 74 | 33.7 Ų | 33.7 | 28% | 0.279 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 38.9 | 174.6 | -67.6 | -172.6 | 179.9 | -152 | 4.8 | 111.1 | G97 G98 Y99 S120 D122 I127 | G97-R125 PolarHBondContact O-NH1 2.95Å; G98-R125 VanDerWaalsContact O-CD 3.25Å; G98-R125 WeakPolarHBondContact O-CD 3.16Å; G98-R125 VanDerWaalsContact O-CZ 3.25Å; G98-R125 PolarHBondContact O-NE 2.98Å; G98-R125 PolarHBondContact O-NH1 2.87Å; G98-R125 VanDerWaalsContact O-NH1 3.13Å; Y99-R125 HydrophobicContact CD1-CB 3.85Å; Y99-R125 HydrophobicContact CE1-CB 3.92Å; Y99-R125 WeakPolarHBondContact CE1-O 3.45Å; S120-R125 WeakPolarHBondContact CB-O 3.11Å; D122-R125 HydrophobicContact CB-CB 4.21Å; D122-R125 PolarHBondContact OD1-N 2.86Å; R125-I127 VanDerWaalsContact C-N 3.28Å; R125-I127 PolarHBondContact O-N 2.93Å |
| 126 | A | 90.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -60.6 | -40.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T119 S120 D122 I142 P148 | T119-A126 CarbonylContact C-O 3.38Å; T119-A126 WeakPolarHBondContact CA-O 3.38Å; S120-A126 PolarHBondContact N-O 3.33Å; D122-A126 WeakPolarHBondContact O-CA 3.49Å; D122-A126 WeakPolarHBondContact O-CB 2.99Å; D122-A126 PolarHBondContact O-N 2.66Å; A126-I142 PolarHBondContact N-O 3.18Å; A126-P148 HydrophobicContact CB-CG 4.33Å; A126-P148 WeakPolarHBondContact O-CG 3.05Å |
| 127 | I | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 128.1 | 169.1 | -43.6 | 163.2 | 0 | 0 | 0 | 107.6 | T118 T119 R125 I142 P148 F161 T163 W172 | T118-I127 WeakPolarHBondContact O-CA 3.36Å; T119-I127 HydrophobicContact CG2-CG1 4.36Å; T119-I127 HydrophobicContact CG2-CG2 4.31Å; R125-I127 VanDerWaalsContact C-N 3.28Å; R125-I127 PolarHBondContact O-N 2.93Å; I127-I142 HydrophobicContact CB-CB 4.24Å; I127-I142 PolarHBondContact N-O 2.99Å; I127-I142 PolarHBondContact O-N 3.26Å; I127-P148 HydrophobicContact CG1-CB 4.48Å; I127-P148 HydrophobicContact CG1-CG 3.93Å; I127-F161 HydrophobicContact CD1-CE2 4.37Å; I127-F161 HydrophobicContact CG2-CE2 3.93Å; I127-F161 HydrophobicContact CG2-CZ 4.28Å; I127-T163 HydrophobicContact CD1-CG2 3.65Å; I127-T163 HydrophobicContact CG1-CG2 4.1Å; I127-T163 HydrophobicContact CG2-CG2 4.43Å; I127-W172 HydrophobicContact CD1-CD2 4.12Å; I127-W172 HydrophobicContact CD1-CH2 4Å; I127-W172 HydrophobicContact CD1-CZ2 3.31Å |
| 128 | C | 93.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 133.8 | 170.5 | -64.9 | 0 | 0 | 0 | 0 | 110.5 | Y99 T118 W130 P138 R140 | Y99-C128 HydrophobicContact CE1-CB 4.41Å; Y99-C128 VanDerWaalsContact OH-CB 3.27Å; Y99-C128 WeakPolarHBondContact OH-CB 3.49Å; T118-C128 PolarHBondContact N-O 3.16Å; T118-C128 PolarHBondContact O-N 3.01Å; T118-C128 PolarHBondContact OG1-O 3.05Å; C128-W130 HydrophobicContact CB-CZ2 4.28Å; C128-P138 HydrophobicContact CB-CB 3.91Å; C128-P138 HydrophobicContact CB-CG 4.46Å; C128-R140 CarbonylContact C-O 3.54Å; C128-R140 VanDerWaalsContact CA-O 3.24Å; C128-R140 WeakPolarHBondContact CA-O 3.4Å |
| 129 | V | 93.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 125.1 | 168.9 | 179.2 | 0 | 0 | 0 | 0 | 108.1 | L115 I116 A117 P138 V139 R140 W153 F161 L174 | L115-V129 HydrophobicContact CD2-CG1 4.36Å; I116-V129 WeakPolarHBondContact O-CA 3.17Å; A117-V129 HydrophobicContact CB-CG2 4.22Å; V129-P138 CarbonylContact O-C 3.56Å; V129-P138 WeakPolarHBondContact O-CA 3.32Å; V129-P138 WeakPolarHBondContact O-CB 3.21Å; V129-V139 PolarHBondContact O-N 2.79Å; V129-R140 HydrophobicContact CB-CB 4.38Å; V129-R140 PolarHBondContact N-O 3.09Å; V129-R140 PolarHBondContact O-N 2.87Å; V129-W153 HydrophobicContact CG1-CH2 3.93Å; V129-W153 HydrophobicContact CG1-CZ2 3.95Å; V129-W153 HydrophobicContact CG2-CH2 4.48Å; V129-W153 HydrophobicContact CG2-CZ2 4.4Å; V129-F161 HydrophobicContact CG2-CE1 4.15Å; V129-F161 HydrophobicContact CG2-CZ 4.35Å; V129-L174 HydrophobicContact CB-CD2 4.15Å; V129-L174 HydrophobicContact CG1-CD2 3.96Å; V129-L174 HydrophobicContact CG2-CD2 3.85Å |
| 130 | W | 92.9 | Very high | 88.6 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 2% | 0.019 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 152.3 | -178.1 | -54.4 | 81.5 | 0 | 0 | 0 | 110.4 | L96 G97 Y99 L115 I116 T118 C128 R137 P138 | L96-W130 HydrophobicContact CB-CD2 4.04Å; L96-W130 HydrophobicContact CB-CE3 4.26Å; L96-W130 HydrophobicContact CB-CG 4.5Å; L96-W130 HydrophobicContact CB-CH2 4.48Å; L96-W130 HydrophobicContact CB-CZ2 4.29Å; L96-W130 HydrophobicContact CB-CZ3 4.46Å; L96-W130 HydrophobicContact CD1-CB 4.03Å; L96-W130 HydrophobicContact CD1-CD2 4.25Å; L96-W130 HydrophobicContact CD1-CG 3.85Å; L96-W130 HydrophobicContact CD2-CB 4.31Å; L96-W130 HydrophobicContact CD2-CD2 4.07Å; L96-W130 HydrophobicContact CD2-CE3 3.88Å; L96-W130 HydrophobicContact CD2-CG 4.27Å; L96-W130 HydrophobicContact CG-CD2 4.34Å; L96-W130 HydrophobicContact CG-CG 4.44Å; G97-W130 VanDerWaalsContact O-CH2 3.31Å; G97-W130 WeakPolarHBondContact O-CH2 3.41Å; Y99-W130 HydrophobicContact CE2-CZ2 4.13Å; Y99-W130 PolarHBondContact OH-NE1 3.19Å; L115-W130 WeakPolarHBondContact CA-O 3.4Å; I116-W130 HydrophobicContact CG2-CB 3.86Å; I116-W130 HydrophobicContact CG2-CG 4.49Å; I116-W130 PolarHBondContact N-O 2.86Å; I116-W130 VanDerWaalsContact N-O 3.15Å; I116-W130 PolarHBondContact O-N 2.77Å; T118-W130 VanDerWaalsContact OG1-CD1 3.26Å; T118-W130 PolarHBondContact OG1-NE1 2.84Å; C128-W130 HydrophobicContact CB-CZ2 4.28Å; W130-R137 VanDerWaalsContact CZ3-C 3.49Å; W130-P138 HydrophobicContact CD2-CB 3.9Å; W130-P138 HydrophobicContact CE3-CB 4.07Å; W130-P138 HydrophobicContact CG-CB 4.43Å; W130-P138 HydrophobicContact CH2-CB 4.33Å; W130-P138 HydrophobicContact CH2-CG 4.3Å; W130-P138 HydrophobicContact CZ2-CB 4.17Å; W130-P138 HydrophobicContact CZ2-CG 4.38Å; W130-P138 HydrophobicContact CZ3-CB 4.29Å; W130-P138 HydrophobicContact CZ3-CG 4.49Å |
| 131 | D | 91.7 | Very high | 88.5 | Confident | 19 Ų | 19 | 53.4 Ų | 53.4 | 10% | 0.102 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 125.6 | 172.2 | -172.7 | -30.1 | 0 | 0 | 0 | 108.3 | F114 L115 R133 D134 V139 | F114-D131 WeakPolarHBondContact CB-OD1 3.4Å; F114-D131 CarbonylContact O-C 3.57Å; F114-D131 VanDerWaalsContact O-CA 3.31Å; F114-D131 WeakPolarHBondContact O-CA 3.41Å; L115-D131 HydrophobicContact CD2-CB 4Å; D131-R133 PolarHBondContact O-N 2.86Å; D131-R133 WeakPolarHBondContact OD1-CB 3.5Å; D131-R133 VanDerWaalsContact OD1-CG 3.24Å; D131-R133 WeakPolarHBondContact OD1-CG 3.21Å; D131-R133 IonicContact OD1-CZ 3.62Å; D131-R133 PolarHBondContact OD1-N 2.94Å; D131-R133 IonicContact OD1-NE 2.61Å; D131-R133 PolarHBondContact OD1-NE 3.47Å; D131-R133 IonicContact OD1-NH2 2.87Å; D131-R133 IonicContact OD2-CZ 3.51Å; D131-R133 VanDerWaalsContact OD2-CZ 3.28Å; D131-R133 IonicContact OD2-NE 3.33Å; D131-R133 PolarHBondContact OD2-NE 3.21Å; D131-R133 VanDerWaalsContact OD2-NE 3.08Å; D131-R133 IonicContact OD2-NH2 3.36Å; D131-R133 PolarHBondContact OD2-NH2 3.42Å; D131-D134 CarbonylContact O-C 3.51Å; D131-D134 VanDerWaalsContact O-C 3.23Å; D131-D134 PolarHBondContact O-N 3.49Å; D131-V139 HydrophobicContact CB-CG2 3.49Å; D131-V139 VanDerWaalsContact CB-CG2 3.49Å |
| 132 | L | 88.5 | Confident | 88.5 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 14% | 0.136 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -15.7 | 178 | -63.2 | -171.5 | 0 | 0 | 0 | 113.4 | K69 L80 W108 F114 M135 | K69-L132 HydrophobicContact CD-CD1 4.22Å; L80-L132 HydrophobicContact CD1-CD2 3.39Å; W108-L132 HydrophobicContact CH2-CD1 3.92Å; W108-L132 HydrophobicContact CH2-CD2 4.1Å; W108-L132 HydrophobicContact CH2-CG 4.39Å; W108-L132 HydrophobicContact CZ3-CD1 3.83Å; W108-L132 HydrophobicContact CZ3-CD2 4.19Å; W108-L132 HydrophobicContact CZ3-CG 4.13Å; F114-L132 HydrophobicContact CB-CB 4.34Å; F114-L132 HydrophobicContact CD1-CB 4.32Å; F114-L132 WeakPolarHBondContact O-CG 3.12Å; F114-L132 PolarHBondContact O-N 3.46Å; L132-M135 HydrophobicContact CD2-SD 4.42Å; L132-M135 WeakPolarHBondContact O-CE 3.04Å |
| 133 | R | 87.5 | Confident | 88.6 | Confident | 177 Ų | 177 | 56.8 Ų | 56.8 | 67% | 0.668 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -23.3 | 178.3 | -54.9 | 171.9 | -64.8 | 178.8 | 4.5 | 113.3 | F114 D131 | F114-R133 HydrophobicContact CB-CG 4.39Å; F114-R133 HydrophobicContact CD1-CG 4.03Å; F114-R133 HydrophobicContact CG-CG 4.09Å; D131-R133 PolarHBondContact O-N 2.86Å; D131-R133 WeakPolarHBondContact OD1-CB 3.5Å; D131-R133 VanDerWaalsContact OD1-CG 3.24Å; D131-R133 WeakPolarHBondContact OD1-CG 3.21Å; D131-R133 IonicContact OD1-CZ 3.62Å; D131-R133 PolarHBondContact OD1-N 2.94Å; D131-R133 IonicContact OD1-NE 2.61Å; D131-R133 PolarHBondContact OD1-NE 3.47Å; D131-R133 IonicContact OD1-NH2 2.87Å; D131-R133 IonicContact OD2-CZ 3.51Å; D131-R133 VanDerWaalsContact OD2-CZ 3.28Å; D131-R133 IonicContact OD2-NE 3.33Å; D131-R133 PolarHBondContact OD2-NE 3.21Å; D131-R133 VanDerWaalsContact OD2-NE 3.08Å; D131-R133 IonicContact OD2-NH2 3.36Å; D131-R133 PolarHBondContact OD2-NH2 3.42Å |
| 134 | D | 84.4 | Confident | 88.5 | Confident | 54 Ų | 54 | 53 Ų | 53 | 29% | 0.289 | 26% | 0.258 | S | S | . | . | B | Isolated β-bridge | trans | -137.6 | 78.9 | 173.3 | 179.1 | 11.5 | 0 | 0 | 0 | 109.4 | D131 S136 R137 | D131-D134 CarbonylContact O-C 3.51Å; D131-D134 VanDerWaalsContact O-C 3.23Å; D131-D134 PolarHBondContact O-N 3.49Å; D134-S136 PolarHBondContact O-N 3.38Å; D134-S136 WeakPolarHBondContact OD1-CB 3.35Å; D134-S136 PolarHBondContact OD1-N 2.94Å; D134-S136 PolarHBondContact OD1-OG 2.78Å; D134-R137 VanDerWaalsContact O-O 3.14Å; D134-R137 IonicContact OD2-CZ 3.4Å; D134-R137 IonicContact OD2-NE 2.68Å; D134-R137 PolarHBondContact OD2-NE 2.83Å; D134-R137 IonicContact OD2-NH2 3.21Å; D134-R137 PolarHBondContact OD2-NH2 2.96Å |
| 135 | M | 83.9 | Confident | 88.4 | Confident | 65 Ų | 65 | 54.9 Ų | 54.9 | 32% | 0.32 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 1 | 179.4 | -65 | 177 | -77.2 | 0 | 0 | 113.5 | L80 T94 L96 L132 R137 | L80-M135 HydrophobicContact CD1-SD 4Å; T94-M135 HydrophobicContact CG2-CE 3.68Å; T94-M135 HydrophobicContact CG2-SD 3.92Å; T94-M135 PolarHBondContact OG1-SD 3.41Å; L96-M135 HydrophobicContact CD2-CB 4.09Å; L96-M135 HydrophobicContact CD2-CG 3.94Å; L96-M135 HydrophobicContact CD2-SD 4.38Å; L132-M135 HydrophobicContact CD2-SD 4.42Å; L132-M135 WeakPolarHBondContact O-CE 3.04Å; M135-R137 PolarHBondContact O-N 2.8Å |
| 136 | S | 81.1 | Confident | 88.2 | Confident | 97 Ų | 97 | 52.5 Ų | 52.5 | 68% | 0.678 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -22.9 | -179.3 | 73.7 | 0 | 0 | 0 | 0 | 113.1 | D134 | D134-S136 PolarHBondContact O-N 3.38Å; D134-S136 WeakPolarHBondContact OD1-CB 3.35Å; D134-S136 PolarHBondContact OD1-N 2.94Å; D134-S136 PolarHBondContact OD1-OG 2.78Å |
| 137 | R | 84.5 | Confident | 88 | Confident | 126 Ų | 126 | 54.7 Ų | 54.7 | 48% | 0.475 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -160.3 | 154.9 | -173.4 | 62.9 | -159.9 | 171.1 | 176.9 | 3.3 | 109.5 | W130 D134 M135 | W130-R137 VanDerWaalsContact CZ3-C 3.49Å; D134-R137 VanDerWaalsContact O-O 3.14Å; D134-R137 IonicContact OD2-CZ 3.4Å; D134-R137 IonicContact OD2-NE 2.68Å; D134-R137 PolarHBondContact OD2-NE 2.83Å; D134-R137 IonicContact OD2-NH2 3.21Å; D134-R137 PolarHBondContact OD2-NH2 2.96Å; M135-R137 PolarHBondContact O-N 2.8Å |
| 138 | P | 89.3 | Confident | 87.9 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 14% | 0.136 | 28% | 0.284 | C | S | . | . | trans | -69.3 | 143.4 | 167.7 | 30.7 | -33.7 | 0 | 0 | 0 | 109.9 | C128 V129 W130 R140 A141 | C128-P138 HydrophobicContact CB-CB 3.91Å; C128-P138 HydrophobicContact CB-CG 4.46Å; V129-P138 CarbonylContact O-C 3.56Å; V129-P138 WeakPolarHBondContact O-CA 3.32Å; V129-P138 WeakPolarHBondContact O-CB 3.21Å; W130-P138 HydrophobicContact CD2-CB 3.9Å; W130-P138 HydrophobicContact CE3-CB 4.07Å; W130-P138 HydrophobicContact CG-CB 4.43Å; W130-P138 HydrophobicContact CH2-CB 4.33Å; W130-P138 HydrophobicContact CH2-CG 4.3Å; W130-P138 HydrophobicContact CZ2-CB 4.17Å; W130-P138 HydrophobicContact CZ2-CG 4.38Å; W130-P138 HydrophobicContact CZ3-CB 4.29Å; W130-P138 HydrophobicContact CZ3-CG 4.49Å; P138-R140 PolarHBondContact O-N 3.43Å; P138-A141 HydrophobicContact CG-CB 4Å | ||
| 139 | V | 88.5 | Confident | 87.7 | Confident | 82 Ų | 82 | 58.2 Ų | 58.2 | 50% | 0.497 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -59.6 | -39.1 | 170.7 | -174.2 | 0 | 0 | 0 | 0 | 110.2 | V129 D131 | V129-V139 PolarHBondContact O-N 2.79Å; D131-V139 HydrophobicContact CB-CG2 3.49Å; D131-V139 VanDerWaalsContact CB-CG2 3.49Å |
| 140 | R | 89.6 | Confident | 87.7 | Confident | 56 Ų | 56 | 59.6 Ų | 59.6 | 21% | 0.211 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 122.4 | 176 | -52.4 | -66.1 | -94.1 | 142 | 1.9 | 108.2 | C128 V129 P138 I142 L174 R175 S176 N177 | C128-R140 CarbonylContact C-O 3.54Å; C128-R140 VanDerWaalsContact CA-O 3.24Å; C128-R140 WeakPolarHBondContact CA-O 3.4Å; V129-R140 HydrophobicContact CB-CB 4.38Å; V129-R140 PolarHBondContact N-O 3.09Å; V129-R140 PolarHBondContact O-N 2.87Å; P138-R140 PolarHBondContact O-N 3.43Å; R140-I142 HydrophobicContact CB-CD1 4.45Å; R140-I142 HydrophobicContact CB-CG1 4.24Å; R140-L174 HydrophobicContact CG-CD2 4.33Å; R140-L174 VanDerWaalsContact CZ-O 3.25Å; R140-L174 PolarHBondContact NE-O 2.86Å; R140-L174 PolarHBondContact NH2-O 3.24Å; R140-R175 PolarHBondContact NH2-O 2.79Å; R140-S176 PolarHBondContact NH2-O 3.39Å; R140-N177 PolarHBondContact NH1-OD1 2.92Å; R140-N177 PolarHBondContact NH2-OD1 3.11Å |
| 141 | A | 90.5 | Very high | 87.8 | Confident | 48 Ų | 48 | 59.4 Ų | 59.4 | 40% | 0.397 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 125.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | P138 | P138-A141 HydrophobicContact CG-CB 4Å |
| 142 | I | 90.1 | Very high | 88 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 127.4 | -172.7 | -57.3 | 175.3 | 0 | 0 | 0 | 108 | A126 I127 R140 F161 W172 | A126-I142 PolarHBondContact N-O 3.18Å; I127-I142 HydrophobicContact CB-CB 4.24Å; I127-I142 PolarHBondContact N-O 2.99Å; I127-I142 PolarHBondContact O-N 3.26Å; R140-I142 HydrophobicContact CB-CD1 4.45Å; R140-I142 HydrophobicContact CB-CG1 4.24Å; I142-F161 HydrophobicContact CD1-CZ 4.01Å; I142-W172 HydrophobicContact CD1-CE3 4.36Å; I142-W172 HydrophobicContact CG2-CE3 3.98Å; I142-W172 HydrophobicContact CG2-CH2 3.64Å; I142-W172 HydrophobicContact CG2-CZ3 3.32Å |
| 143 | E | 89.3 | Confident | 88.3 | Confident | 121 Ų | 121 | 59.2 Ų | 59.2 | 57% | 0.565 | 31% | 0.305 | S | S | * | . | trans | -77.9 | 143.4 | 177.8 | -52.7 | -169 | 174.5 | 0 | 0 | 111.2 | Q123 F124 | Q123-E143 VanDerWaalsContact O-CA 3.27Å; Q123-E143 WeakPolarHBondContact O-CA 3.43Å; F124-E143 WeakPolarHBondContact CD1-OE1 3.36Å | ||
| 144 | S | 84.5 | Confident | 88.5 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | trans | -143.9 | 130.3 | 170.7 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | Q123 S146 H165 R170 | Q123-S144 PolarHBondContact O-N 2.89Å; S144-S146 PolarHBondContact O-N 3.47Å; S144-S146 PolarHBondContact OG-N 3.33Å; S144-S146 PolarHBondContact OG-O 3.48Å; S144-H165 PolarHBondContact OG-CE1 2.83Å; S144-R170 PolarHBondContact OG-NH1 3.06Å; S144-R170 VanDerWaalsContact OG-NH1 3.09Å | ||
| 145 | L | 80.1 | Confident | 88.7 | Confident | 168 Ų | 168 | 52.2 Ų | 52.2 | 88% | 0.88 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -68.9 | -9.7 | 176.5 | -61.4 | 175.7 | 0 | 0 | 0 | 113.6 | ||
| 146 | S | 85.3 | Confident | 88.9 | Confident | 24 Ų | 24 | 53.2 Ų | 53.2 | 17% | 0.168 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -132.8 | 132.3 | 173.8 | 61.8 | 0 | 0 | 0 | 0 | 110.1 | S144 P148 H165 R170 | S144-S146 PolarHBondContact O-N 3.47Å; S144-S146 PolarHBondContact OG-N 3.33Å; S144-S146 PolarHBondContact OG-O 3.48Å; S146-P148 WeakPolarHBondContact O-CD 3.27Å; S146-H165 PolarHBondContact O-CE1 2.87Å; S146-H165 PolarHBondContact O-ND1 3.02Å; S146-H165 PolarHBondContact OG-ND1 2.84Å; S146-R170 PolarHBondContact OG-NH1 3.19Å; S146-R170 VanDerWaalsContact OG-NH1 3.09Å; S146-R170 PolarHBondContact OG-NH2 2.94Å |
| 147 | S | 85.8 | Confident | 89.3 | Confident | 47 Ų | 47 | 51.6 Ų | 51.6 | 33% | 0.329 | 26% | 0.261 | S | S | . | . | trans | -55.3 | 122.4 | 178.8 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | H165 | S147-H165 PolarHBondContact O-ND1 2.85Š| ||
| 148 | P | 91 | Very high | 89 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 141.9 | 164.6 | 24.9 | -30 | 0 | 0 | 0 | 110.5 | N104 T119 S120 A126 I127 S146 C164 H165 | N104-P148 PolarHBondContact ND2-O 3.31Å; T119-P148 HydrophobicContact CG2-CB 3.74Å; T119-P148 HydrophobicContact CG2-CG 3.83Å; S120-P148 WeakPolarHBondContact O-CD 3.44Å; A126-P148 HydrophobicContact CB-CG 4.33Å; A126-P148 WeakPolarHBondContact O-CG 3.05Å; I127-P148 HydrophobicContact CG1-CB 4.48Å; I127-P148 HydrophobicContact CG1-CG 3.93Å; S146-P148 WeakPolarHBondContact O-CD 3.27Å; P148-C164 CarbonylContact C-O 3.58Å; P148-C164 VanDerWaalsContact CA-O 3.31Å; P148-C164 WeakPolarHBondContact CA-O 3.31Å; P148-H165 VanDerWaalsContact CA-ND1 3.34Å; P148-H165 WeakPolarHBondContact CA-ND1 3.39Å; P148-H165 VanDerWaalsContact CB-CE1 3.48Å; P148-H165 WeakPolarHBondContact CB-CE1 3.45Å |
| 149 | I | 90.5 | Very high | 88.7 | Confident | 74 Ų | 74 | 47.3 Ų | 47.3 | 38% | 0.379 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -44.2 | -177.6 | -50 | 176.5 | 0 | 0 | 0 | 110.2 | N104 S105 C164 | N104-I149 WeakPolarHBondContact CB-O 3.26Å; S105-I149 VanDerWaalsContact CB-O 3.31Å; S105-I149 WeakPolarHBondContact CB-O 3.36Å; I149-C164 PolarHBondContact N-O 3.19Å |
| 150 | I | 93.1 | Very high | 88.9 | Confident | 29 Ų | 29 | 45.8 Ų | 45.8 | 15% | 0.149 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 142.4 | -178.2 | -63 | 174.6 | 0 | 0 | 0 | 108.9 | K152 T163 C164 R191 D192 F193 | I150-K152 HydrophobicContact CG2-CG 4.11Å; I150-T163 CarbonylContact O-C 3.55Å; I150-T163 VanDerWaalsContact O-CA 3.26Å; I150-T163 WeakPolarHBondContact O-CA 3.48Å; I150-C164 HydrophobicContact CB-CB 4.07Å; I150-C164 PolarHBondContact O-N 3.15Å; I150-R191 WeakPolarHBondContact CD1-O 3.48Å; I150-D192 HydrophobicContact CD1-CB 4.21Å; I150-F193 HydrophobicContact CB-CE1 4.18Å; I150-F193 HydrophobicContact CG2-CD1 4.36Å; I150-F193 HydrophobicContact CG2-CE1 3.79Å |
| 151 | V | 94.7 | Very high | 89.1 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 140.6 | 164.4 | 54.5 | 0 | 0 | 0 | 0 | 109.6 | S105 D107 A117 T119 F161 A162 T163 | S105-V151 PolarHBondContact OG-N 2.83Å; D107-V151 HydrophobicContact CB-CG1 4.3Å; A117-V151 HydrophobicContact CB-CG1 4.34Å; A117-V151 HydrophobicContact CB-CG2 3.77Å; T119-V151 HydrophobicContact CG2-CB 3.62Å; T119-V151 HydrophobicContact CG2-CG1 3.77Å; V151-F161 HydrophobicContact CG2-CD2 3.95Å; V151-A162 WeakPolarHBondContact CA-O 3.42Å; V151-T163 HydrophobicContact CB-CG2 4.02Å; V151-T163 HydrophobicContact CG2-CG2 4.04Å |
| 152 | K | 94.9 | Very high | 89.2 | Confident | 36 Ų | 36 | 40.9 Ų | 40.9 | 16% | 0.157 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 131.9 | 166.4 | -60.8 | -173.3 | -169.4 | 169.9 | 0 | 110.7 | D107 I150 A162 D192 F193 W195 | D107-K152 VanDerWaalsContact OD2-CA 3.24Å; D107-K152 WeakPolarHBondContact OD2-CA 3.28Å; I150-K152 HydrophobicContact CG2-CG 4.11Å; K152-A162 PolarHBondContact N-O 2.83Å; K152-A162 PolarHBondContact O-N 2.94Å; K152-D192 IonicContact NZ-OD1 3.84Å; K152-D192 PolarHBondContact NZ-OD1 2.78Å; K152-D192 IonicContact NZ-OD2 3.28Å; K152-F193 HydrophobicContact CB-CE2 3.94Å; K152-F193 HydrophobicContact CB-CZ 3.8Å; K152-F193 VanDerWaalsContact CD-O 3.25Å; K152-F193 WeakPolarHBondContact CD-O 3.22Å; K152-F193 WeakPolarHBondContact CE-O 3.33Å; K152-F193 HydrophobicContact CG-CE2 4.41Å; K152-F193 HydrophobicContact CG-CZ 4.05Å; K152-F193 PolarHBondContact NZ-O 3.48Å; K152-W195 PolarHBondContact O-NE1 3.45Å |
| 153 | W | 94.8 | Very high | 89.4 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 149.8 | 176 | -72.4 | 90.8 | 0 | 0 | 0 | 112 | D107 L115 A117 V129 F161 L174 W195 | D107-W153 PolarHBondContact O-NE1 3.33Å; D107-W153 PolarHBondContact OD2-N 2.66Å; L115-W153 HydrophobicContact CB-CH2 4.17Å; L115-W153 HydrophobicContact CB-CZ2 4.08Å; L115-W153 HydrophobicContact CD1-CH2 4.06Å; A117-W153 HydrophobicContact CB-CZ2 3.84Å; V129-W153 HydrophobicContact CG1-CH2 3.93Å; V129-W153 HydrophobicContact CG1-CZ2 3.95Å; V129-W153 HydrophobicContact CG2-CH2 4.48Å; V129-W153 HydrophobicContact CG2-CZ2 4.4Å; W153-F161 HydrophobicContact CD2-CB 4.04Å; W153-F161 HydrophobicContact CE3-CB 3.98Å; W153-F161 HydrophobicContact CE3-CD1 4.35Å; W153-F161 HydrophobicContact CG-CB 4.29Å; W153-F161 HydrophobicContact CH2-CD1 4.42Å; W153-F161 HydrophobicContact CZ3-CD1 4.14Å; W153-L174 HydrophobicContact CH2-CD1 4.05Å; W153-L174 HydrophobicContact CH2-CD2 4.1Å; W153-L174 HydrophobicContact CH2-CG 4.38Å; W153-L174 HydrophobicContact CZ3-CD1 4.07Å; W153-L174 HydrophobicContact CZ3-CD2 4.5Å; W153-L174 HydrophobicContact CZ3-CG 4.35Å; W153-W195 PolarHBondContact O-NE1 3.39Å; W153-W195 VanDerWaalsContact O-NE1 3.16Å |
| 154 | N | 93 | Very high | 89.5 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | trans | -65.4 | 137.2 | 167.1 | -174.6 | -73.5 | 0 | 0 | 0 | 109.1 | F156 L157 K160 W195 V200 | N154-F156 PolarHBondContact O-N 2.86Å; N154-F156 PolarHBondContact OD1-N 3.35Å; N154-L157 HydrophobicContact CB-CB 4.16Å; N154-L157 PolarHBondContact OD1-N 2.59Å; N154-K160 HydrophobicContact CB-CB 4.24Å; N154-K160 VanDerWaalsContact CB-O 3.3Å; N154-K160 WeakPolarHBondContact CB-O 3.3Å; N154-K160 PolarHBondContact N-O 3.29Å; N154-W195 HydrophobicContact CB-CD2 4.49Å; N154-W195 HydrophobicContact CB-CH2 4.05Å; N154-W195 HydrophobicContact CB-CZ2 4.01Å; N154-W195 HydrophobicContact CB-CZ3 4.31Å; N154-W195 VanDerWaalsContact ND2-CH2 3.34Å; N154-W195 WeakPolarHBondContact ND2-CH2 3.21Å; N154-W195 WeakPolarHBondContact ND2-CZ3 3.25Å; N154-V200 PolarHBondContact ND2-O 3.45Å | ||
| 155 | R | 88.9 | Confident | 89.8 | Confident | 82 Ų | 82 | 34.5 Ų | 34.5 | 31% | 0.309 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -71.3 | -11.2 | -174.5 | -62.6 | -178.2 | -174.8 | -138.3 | 6 | 114.2 | D194 W195 | R155-D194 IonicContact CZ-OD1 2.81Å; R155-D194 IonicContact NE-OD1 3.3Å; R155-D194 IonicContact NH2-OD1 3.91Å; R155-D194 PolarHBondContact NH2-OD1 3.48Å; R155-D194 IonicContact NH2-OD2 2.67Å; R155-D194 PolarHBondContact NH2-OD2 2.81Å; R155-W195 HydrophobicContact CG-CB 4.01Å; R155-W195 VanDerWaalsContact CZ-O 3.3Å; R155-W195 PolarHBondContact NE-O 3.47Å; R155-W195 PolarHBondContact NH2-O 2.92Å |
| 156 | F | 88.3 | Confident | 89.8 | Confident | 85 Ų | 85 | 29 Ų | 29 | 37% | 0.373 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -131.6 | -38.6 | -173.5 | -48.5 | -93.6 | 0 | 0 | 0 | 113.7 | N154 S158 S196 P197 V200 | N154-F156 PolarHBondContact O-N 2.86Å; N154-F156 PolarHBondContact OD1-N 3.35Å; F156-S158 PolarHBondContact O-N 3.49Å; F156-S196 WeakPolarHBondContact CE2-O 3.47Å; F156-P197 WeakPolarHBondContact CZ-O 3.48Å; F156-V200 HydrophobicContact CB-CG1 4.21Å; F156-V200 HydrophobicContact CB-CG2 4.09Å; F156-V200 HydrophobicContact CD1-CG2 4.35Å; F156-V200 HydrophobicContact CD2-CB 4.12Å; F156-V200 HydrophobicContact CD2-CG1 4.29Å; F156-V200 HydrophobicContact CD2-CG2 3.8Å; F156-V200 HydrophobicContact CE2-CG2 4.2Å; F156-V200 HydrophobicContact CG-CG2 3.86Å |
| 157 | L | 87.7 | Confident | 89.4 | Confident | 63 Ų | 63 | 30.3 Ų | 30.3 | 33% | 0.33 | 17% | 0.166 | S | C | . | . | trans | -86.9 | 100.6 | -175.6 | -62.8 | 178.3 | 0 | 0 | 0 | 110.7 | N154 G159 K160 V200 | N154-L157 HydrophobicContact CB-CB 4.16Å; N154-L157 PolarHBondContact OD1-N 2.59Å; L157-G159 PolarHBondContact O-N 2.98Å; L157-K160 HydrophobicContact CB-CB 4.04Å; L157-K160 HydrophobicContact CB-CG 4.2Å; L157-K160 HydrophobicContact CD1-CD 3.84Å; L157-K160 HydrophobicContact CD1-CG 4.34Å; L157-K160 PolarHBondContact O-N 3.39Å; L157-V200 HydrophobicContact CD1-CG1 3.7Å; L157-V200 HydrophobicContact CD2-CG1 4.01Å; L157-V200 HydrophobicContact CG-CG1 3.56Å | ||
| 158 | S | 78.8 | Confident | 89.4 | Confident | 38 Ų | 38 | 28.2 Ų | 28.2 | 27% | 0.266 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.5 | -33.6 | -175.7 | 57.5 | 0 | 0 | 0 | 0 | 116 | F156 | F156-S158 PolarHBondContact O-N 3.49Š|
| 159 | G | 84.2 | Confident | 89.4 | Confident | 19 Ų | 19 | 28.3 Ų | 28.3 | 20% | 0.196 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 3.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | L157 D173 L174 | L157-G159 PolarHBondContact O-N 2.98Å; G159-D173 CarbonylContact O-C 3.53Å; G159-D173 WeakPolarHBondContact O-CA 3.26Å; G159-L174 WeakPolarHBondContact O-CG 3.13Å; G159-L174 PolarHBondContact O-N 3.05Å |
| 160 | K | 91.4 | Very high | 89.5 | Confident | 50 Ų | 50 | 26 Ų | 26 | 22% | 0.217 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 141.1 | -174.8 | -61.5 | -159.2 | -176.7 | -171.2 | 0 | 114 | N154 L157 W172 E180 | N154-K160 HydrophobicContact CB-CB 4.24Å; N154-K160 VanDerWaalsContact CB-O 3.3Å; N154-K160 WeakPolarHBondContact CB-O 3.3Å; N154-K160 PolarHBondContact N-O 3.29Å; L157-K160 HydrophobicContact CB-CB 4.04Å; L157-K160 HydrophobicContact CB-CG 4.2Å; L157-K160 HydrophobicContact CD1-CD 3.84Å; L157-K160 HydrophobicContact CD1-CG 4.34Å; L157-K160 PolarHBondContact O-N 3.39Å; K160-W172 VanDerWaalsContact CA-O 3.31Å; K160-W172 WeakPolarHBondContact CA-O 3.11Å; K160-E180 VanDerWaalsContact CE-OE2 3.29Å; K160-E180 WeakPolarHBondContact CE-OE2 3.44Å; K160-E180 IonicContact NZ-OE1 2.66Å; K160-E180 PolarHBondContact NZ-OE1 2.87Å; K160-E180 IonicContact NZ-OE2 3.19Å; K160-E180 PolarHBondContact NZ-OE2 3.03Å |
| 161 | F | 93.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 165 | 172.7 | 63 | -87.5 | 0 | 0 | 0 | 110.3 | I127 V129 I142 V151 W153 T163 W172 L174 | I127-F161 HydrophobicContact CD1-CE2 4.37Å; I127-F161 HydrophobicContact CG2-CE2 3.93Å; I127-F161 HydrophobicContact CG2-CZ 4.28Å; V129-F161 HydrophobicContact CG2-CE1 4.15Å; V129-F161 HydrophobicContact CG2-CZ 4.35Å; I142-F161 HydrophobicContact CD1-CZ 4.01Å; V151-F161 HydrophobicContact CG2-CD2 3.95Å; W153-F161 HydrophobicContact CD2-CB 4.04Å; W153-F161 HydrophobicContact CE3-CB 3.98Å; W153-F161 HydrophobicContact CE3-CD1 4.35Å; W153-F161 HydrophobicContact CG-CB 4.29Å; W153-F161 HydrophobicContact CH2-CD1 4.42Å; W153-F161 HydrophobicContact CZ3-CD1 4.14Å; F161-T163 HydrophobicContact CD2-CG2 4.14Å; F161-T163 HydrophobicContact CE2-CG2 4.07Å; F161-W172 HydrophobicContact CD1-CB 4.3Å; F161-W172 HydrophobicContact CD2-CB 4.12Å; F161-W172 AromaticContact CD2-CD1 3.89Å; F161-W172 HydrophobicContact CD2-CG 4.27Å; F161-W172 HydrophobicContact CE1-CB 3.8Å; F161-W172 HydrophobicContact CE2-CB 3.6Å; F161-W172 AromaticContact CE2-CD1 3.46Å; F161-W172 VanDerWaalsContact CE2-CD1 3.46Å; F161-W172 HydrophobicContact CE2-CD2 4.46Å; F161-W172 AromaticContact CE2-CG 3.59Å; F161-W172 HydrophobicContact CE2-CG 3.59Å; F161-W172 HydrophobicContact CG-CB 4.44Å; F161-W172 HydrophobicContact CZ-CB 3.42Å; F161-W172 VanDerWaalsContact CZ-CB 3.42Å; F161-W172 AromaticContact CZ-CG 3.8Å; F161-W172 HydrophobicContact CZ-CG 3.8Å; F161-W172 PolarHBondContact N-O 2.74Å; F161-W172 VanDerWaalsContact N-O 3.09Å; F161-W172 PolarHBondContact O-N 2.68Å; F161-L174 HydrophobicContact CD1-CD2 4.41Å; F161-L174 HydrophobicContact CE1-CD2 3.89Å; F161-L174 HydrophobicContact CE1-CG 4.49Å |
| 162 | A | 94.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 150.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | V151 K152 V169 R170 T171 F193 W195 | V151-A162 WeakPolarHBondContact CA-O 3.42Å; K152-A162 PolarHBondContact N-O 2.83Å; K152-A162 PolarHBondContact O-N 2.94Å; A162-V169 HydrophobicContact CB-CG1 3.97Å; A162-R170 CarbonylContact C-O 3.41Å; A162-R170 VanDerWaalsContact CA-O 3.24Å; A162-R170 WeakPolarHBondContact CA-O 3.37Å; A162-T171 HydrophobicContact CB-CG2 4.47Å; A162-F193 HydrophobicContact CB-CE2 3.71Å; A162-F193 HydrophobicContact CB-CZ 3.92Å; A162-F193 WeakPolarHBondContact O-CZ 3.41Å; A162-W195 HydrophobicContact CB-CZ2 3.65Å |
| 163 | T | 94 | Very high | 89.2 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 133.7 | 171.2 | 59.8 | 0 | 0 | 0 | 0 | 111.7 | T119 I127 I150 V151 F161 H165 V169 R170 W172 | T119-T163 HydrophobicContact CG2-CG2 4.12Å; I127-T163 HydrophobicContact CD1-CG2 3.65Å; I127-T163 HydrophobicContact CG1-CG2 4.1Å; I127-T163 HydrophobicContact CG2-CG2 4.43Å; I150-T163 CarbonylContact O-C 3.55Å; I150-T163 VanDerWaalsContact O-CA 3.26Å; I150-T163 WeakPolarHBondContact O-CA 3.48Å; V151-T163 HydrophobicContact CB-CG2 4.02Å; V151-T163 HydrophobicContact CG2-CG2 4.04Å; F161-T163 HydrophobicContact CD2-CG2 4.14Å; F161-T163 HydrophobicContact CE2-CG2 4.07Å; T163-H165 PolarHBondContact OG1-NE2 3.28Å; T163-V169 WeakPolarHBondContact O-CA 3.4Å; T163-R170 PolarHBondContact N-O 2.94Å; T163-R170 PolarHBondContact O-N 3.37Å; T163-W172 PolarHBondContact OG1-NE1 3.41Å |
| 164 | C | 91.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 131 | 169.3 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | P148 I149 I150 V190 F193 | P148-C164 CarbonylContact C-O 3.58Å; P148-C164 VanDerWaalsContact CA-O 3.31Å; P148-C164 WeakPolarHBondContact CA-O 3.31Å; I149-C164 PolarHBondContact N-O 3.19Å; I150-C164 HydrophobicContact CB-CB 4.07Å; I150-C164 PolarHBondContact O-N 3.15Å; C164-V190 VanDerWaalsContact SG-CB 3.59Å; C164-V190 PolarHBondContact SG-O 3.45Å; C164-F193 HydrophobicContact CB-CD1 3.82Å; C164-F193 HydrophobicContact CB-CE1 3.82Å |
| 165 | H | 89.5 | Confident | 88.6 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 166.9 | 167 | -57.7 | -94.7 | 0 | 0 | 0 | 109.5 | S144 S146 S147 P148 T163 S167 G168 R170 | S144-H165 PolarHBondContact OG-CE1 2.83Å; S146-H165 PolarHBondContact O-CE1 2.87Å; S146-H165 PolarHBondContact O-ND1 3.02Å; S146-H165 PolarHBondContact OG-ND1 2.84Å; S147-H165 PolarHBondContact O-ND1 2.85Å; P148-H165 VanDerWaalsContact CA-ND1 3.34Å; P148-H165 WeakPolarHBondContact CA-ND1 3.39Å; P148-H165 VanDerWaalsContact CB-CE1 3.48Å; P148-H165 WeakPolarHBondContact CB-CE1 3.45Å; T163-H165 PolarHBondContact OG1-NE2 3.28Å; H165-S167 PolarHBondContact O-N 3.08Å; H165-S167 VanDerWaalsContact O-N 3.08Å; H165-G168 PolarHBondContact N-O 3Å; H165-G168 PolarHBondContact O-N 3.48Å; H165-R170 PolarHBondContact CE1-NH1 2.9Å; H165-R170 PolarHBondContact NE2-NH1 3.08Å |
| 166 | S | 81.1 | Confident | 88.4 | Confident | 51 Ų | 51 | 33.3 Ų | 33.3 | 36% | 0.357 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -23.1 | 170.2 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | H189 | S166-H189 PolarHBondContact O-ND1 2.86Š|
| 167 | S | 76.5 | Confident | 88.1 | Confident | 53 Ų | 53 | 34.4 Ų | 34.4 | 37% | 0.371 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 13.5 | 176.8 | 85.2 | 0 | 0 | 0 | 0 | 114.7 | H165 R170 S184 | H165-S167 PolarHBondContact O-N 3.08Å; H165-S167 VanDerWaalsContact O-N 3.08Å; S167-R170 PolarHBondContact OG-NH2 2.82Å; S167-S184 WeakPolarHBondContact O-CB 3.35Å |
| 168 | G | 86.3 | Confident | 88 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 103.7 | -171.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | H165 | H165-G168 PolarHBondContact N-O 3Å; H165-G168 PolarHBondContact O-N 3.48Å |
| 169 | V | 90.9 | Very high | 88.4 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 145.4 | -174.2 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | A162 T163 I183 V190 F193 M203 T205 | A162-V169 HydrophobicContact CB-CG1 3.97Å; T163-V169 WeakPolarHBondContact O-CA 3.4Å; V169-I183 HydrophobicContact CB-CB 4.39Å; V169-I183 PolarHBondContact N-O 3.32Å; V169-I183 PolarHBondContact O-N 2.83Å; V169-V190 HydrophobicContact CG2-CG1 4.12Å; V169-V190 HydrophobicContact CG2-CG2 4.43Å; V169-F193 HydrophobicContact CG2-CG 4.5Å; V169-M203 HydrophobicContact CB-CE 4.06Å; V169-M203 HydrophobicContact CG1-CE 3.96Å; V169-M203 HydrophobicContact CG1-SD 4.09Å; V169-M203 HydrophobicContact CG2-CE 4.36Å; V169-T205 HydrophobicContact CG2-CG2 3.86Å |
| 170 | R | 91.1 | Very high | 88.4 | Confident | 26 Ų | 26 | 37.6 Ų | 37.6 | 10% | 0.098 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 135.4 | 174.9 | -64 | 179.8 | -162.9 | 148.5 | 5.9 | 110 | S144 S146 A162 T163 H165 S167 W172 P179 Q181 Y182 | S144-R170 PolarHBondContact OG-NH1 3.06Å; S144-R170 VanDerWaalsContact OG-NH1 3.09Å; S146-R170 PolarHBondContact OG-NH1 3.19Å; S146-R170 VanDerWaalsContact OG-NH1 3.09Å; S146-R170 PolarHBondContact OG-NH2 2.94Å; A162-R170 CarbonylContact C-O 3.41Å; A162-R170 VanDerWaalsContact CA-O 3.24Å; A162-R170 WeakPolarHBondContact CA-O 3.37Å; T163-R170 PolarHBondContact N-O 2.94Å; T163-R170 PolarHBondContact O-N 3.37Å; H165-R170 PolarHBondContact CE1-NH1 2.9Å; H165-R170 PolarHBondContact NE2-NH1 3.08Å; S167-R170 PolarHBondContact OG-NH2 2.82Å; R170-W172 HydrophobicContact CB-CZ2 4.42Å; R170-P179 HydrophobicContact CB-CB 4.21Å; R170-P179 HydrophobicContact CB-CG 4.33Å; R170-Q181 WeakPolarHBondContact CA-O 3.41Å; R170-Y182 HydrophobicContact CG-CD1 3.83Å; R170-Y182 HydrophobicContact CG-CE1 4.13Å; R170-Y182 HydrophobicContact CG-CG 4.48Å |
| 171 | T | 92.5 | Very high | 88.1 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 143.2 | 174 | 58 | 0 | 0 | 0 | 0 | 109.8 | A162 P179 E180 Q181 I183 I217 | A162-T171 HydrophobicContact CB-CG2 4.47Å; T171-P179 CarbonylContact O-C 3.53Å; T171-P179 VanDerWaalsContact O-CA 3.25Å; T171-P179 WeakPolarHBondContact O-CA 3.44Å; T171-P179 WeakPolarHBondContact O-CB 3.2Å; T171-E180 PolarHBondContact O-N 3.13Å; T171-Q181 PolarHBondContact N-O 2.88Å; T171-Q181 VanDerWaalsContact N-O 3.13Å; T171-Q181 WeakPolarHBondContact OG1-CB 3.33Å; T171-Q181 PolarHBondContact OG1-N 2.8Å; T171-I183 HydrophobicContact CG2-CD1 4.03Å; T171-I217 HydrophobicContact CG2-CD1 4.11Å; T171-I217 HydrophobicContact CG2-CG1 4.43Å; T171-I217 HydrophobicContact CG2-CG2 4.24Å |
| 172 | W | 92.7 | Very high | 87.8 | Confident | 5 Ų | 5 | 43.2 Ų | 43.2 | 2% | 0.019 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 138.7 | -176.2 | -53.8 | 86.4 | 0 | 0 | 0 | 110 | I127 I142 K160 F161 T163 R170 P179 | I127-W172 HydrophobicContact CD1-CD2 4.12Å; I127-W172 HydrophobicContact CD1-CH2 4Å; I127-W172 HydrophobicContact CD1-CZ2 3.31Å; I142-W172 HydrophobicContact CD1-CE3 4.36Å; I142-W172 HydrophobicContact CG2-CE3 3.98Å; I142-W172 HydrophobicContact CG2-CH2 3.64Å; I142-W172 HydrophobicContact CG2-CZ3 3.32Å; K160-W172 VanDerWaalsContact CA-O 3.31Å; K160-W172 WeakPolarHBondContact CA-O 3.11Å; F161-W172 HydrophobicContact CD1-CB 4.3Å; F161-W172 HydrophobicContact CD2-CB 4.12Å; F161-W172 AromaticContact CD2-CD1 3.89Å; F161-W172 HydrophobicContact CD2-CG 4.27Å; F161-W172 HydrophobicContact CE1-CB 3.8Å; F161-W172 HydrophobicContact CE2-CB 3.6Å; F161-W172 AromaticContact CE2-CD1 3.46Å; F161-W172 VanDerWaalsContact CE2-CD1 3.46Å; F161-W172 HydrophobicContact CE2-CD2 4.46Å; F161-W172 AromaticContact CE2-CG 3.59Å; F161-W172 HydrophobicContact CE2-CG 3.59Å; F161-W172 HydrophobicContact CG-CB 4.44Å; F161-W172 HydrophobicContact CZ-CB 3.42Å; F161-W172 VanDerWaalsContact CZ-CB 3.42Å; F161-W172 AromaticContact CZ-CG 3.8Å; F161-W172 HydrophobicContact CZ-CG 3.8Å; F161-W172 PolarHBondContact N-O 2.74Å; F161-W172 VanDerWaalsContact N-O 3.09Å; F161-W172 PolarHBondContact O-N 2.68Å; T163-W172 PolarHBondContact OG1-NE1 3.41Å; R170-W172 HydrophobicContact CB-CZ2 4.42Å; W172-P179 HydrophobicContact CD2-CB 4.44Å; W172-P179 HydrophobicContact CD2-CG 4.2Å; W172-P179 HydrophobicContact CE3-CB 4.36Å; W172-P179 HydrophobicContact CE3-CG 3.92Å; W172-P179 HydrophobicContact CH2-CG 3.52Å; W172-P179 HydrophobicContact CZ2-CG 3.77Å; W172-P179 HydrophobicContact CZ3-CB 4.47Å; W172-P179 HydrophobicContact CZ3-CG 3.57Å |
| 173 | D | 91 | Very high | 87.3 | Confident | 14 Ų | 14 | 43.5 Ų | 43.5 | 8% | 0.075 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 131.9 | 166 | -175.8 | -49 | 0 | 0 | 0 | 107.6 | G159 R175 S176 | G159-D173 CarbonylContact O-C 3.53Å; G159-D173 WeakPolarHBondContact O-CA 3.26Å; D173-R175 PolarHBondContact O-N 2.88Å; D173-R175 WeakPolarHBondContact OD1-CB 3.5Å; D173-R175 VanDerWaalsContact OD1-CG 3.23Å; D173-R175 WeakPolarHBondContact OD1-CG 3.35Å; D173-R175 IonicContact OD1-CZ 2.84Å; D173-R175 PolarHBondContact OD1-N 2.66Å; D173-R175 IonicContact OD1-NE 3.57Å; D173-R175 PolarHBondContact OD1-NE 2.86Å; D173-R175 IonicContact OD1-NH2 2.73Å; D173-R175 IonicContact OD2-CZ 2.76Å; D173-R175 IonicContact OD2-NE 3.99Å; D173-R175 PolarHBondContact OD2-NE 2.86Å; D173-R175 VanDerWaalsContact OD2-NE 3.13Å; D173-R175 IonicContact OD2-NH2 3.15Å; D173-R175 PolarHBondContact OD2-NH2 2.98Å; D173-S176 PolarHBondContact O-N 2.79Å |
| 174 | L | 88.9 | Confident | 86 | Confident | 35 Ų | 35 | 46.5 Ų | 46.5 | 18% | 0.183 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -26.7 | 178.5 | -75.4 | 177.2 | 0 | 0 | 0 | 113.1 | L115 V129 R140 W153 G159 F161 S176 | L115-L174 HydrophobicContact CD1-CD1 4.01Å; V129-L174 HydrophobicContact CB-CD2 4.15Å; V129-L174 HydrophobicContact CG1-CD2 3.96Å; V129-L174 HydrophobicContact CG2-CD2 3.85Å; R140-L174 HydrophobicContact CG-CD2 4.33Å; R140-L174 VanDerWaalsContact CZ-O 3.25Å; R140-L174 PolarHBondContact NE-O 2.86Å; R140-L174 PolarHBondContact NH2-O 3.24Å; W153-L174 HydrophobicContact CH2-CD1 4.05Å; W153-L174 HydrophobicContact CH2-CD2 4.1Å; W153-L174 HydrophobicContact CH2-CG 4.38Å; W153-L174 HydrophobicContact CZ3-CD1 4.07Å; W153-L174 HydrophobicContact CZ3-CD2 4.5Å; W153-L174 HydrophobicContact CZ3-CG 4.35Å; G159-L174 WeakPolarHBondContact O-CG 3.13Å; G159-L174 PolarHBondContact O-N 3.05Å; F161-L174 HydrophobicContact CD1-CD2 4.41Å; F161-L174 HydrophobicContact CE1-CD2 3.89Å; F161-L174 HydrophobicContact CE1-CG 4.49Å; L174-S176 VanDerWaalsContact C-N 3.33Å |
| 175 | R | 87.9 | Confident | 84.4 | Confident | 210 Ų | 210 | 49.8 Ų | 49.8 | 79% | 0.792 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -20.2 | 178.8 | -55.9 | 173 | -62.7 | 152.4 | 3 | 113.1 | R140 D173 | R140-R175 PolarHBondContact NH2-O 2.79Å; D173-R175 PolarHBondContact O-N 2.88Å; D173-R175 WeakPolarHBondContact OD1-CB 3.5Å; D173-R175 VanDerWaalsContact OD1-CG 3.23Å; D173-R175 WeakPolarHBondContact OD1-CG 3.35Å; D173-R175 IonicContact OD1-CZ 2.84Å; D173-R175 PolarHBondContact OD1-N 2.66Å; D173-R175 IonicContact OD1-NE 3.57Å; D173-R175 PolarHBondContact OD1-NE 2.86Å; D173-R175 IonicContact OD1-NH2 2.73Å; D173-R175 IonicContact OD2-CZ 2.76Å; D173-R175 IonicContact OD2-NE 3.99Å; D173-R175 PolarHBondContact OD2-NE 2.86Å; D173-R175 VanDerWaalsContact OD2-NE 3.13Å; D173-R175 IonicContact OD2-NH2 3.15Å; D173-R175 PolarHBondContact OD2-NH2 2.98Å |
| 176 | S | 84.5 | Confident | 82.7 | Confident | 40 Ų | 40 | 54.7 Ų | 54.7 | 28% | 0.28 | 28% | 0.281 | S | S | . | . | trans | -101.3 | 149.9 | -177.8 | -174.3 | 0 | 0 | 0 | 0 | 112.6 | R140 D173 L174 V178 | R140-S176 PolarHBondContact NH2-O 3.39Å; D173-S176 PolarHBondContact O-N 2.79Å; L174-S176 VanDerWaalsContact C-N 3.33Å; S176-V178 WeakPolarHBondContact CB-O 3.31Å; S176-V178 PolarHBondContact OG-N 2.91Å; S176-V178 PolarHBondContact OG-O 3.42Å | ||
| 177 | N | 80.9 | Confident | 81.5 | Confident | 107 Ų | 107 | 57 Ų | 57 | 57% | 0.572 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -93.7 | -8.7 | 166.4 | -75.2 | 13.3 | 0 | 0 | 0 | 112.5 | R140 | R140-N177 PolarHBondContact NH1-OD1 2.92Å; R140-N177 PolarHBondContact NH2-OD1 3.11Å |
| 178 | V | 86 | Confident | 81.1 | Confident | 86 Ų | 86 | 55.9 Ų | 55.9 | 52% | 0.521 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -114 | 143.4 | -177.4 | -175.9 | 0 | 0 | 0 | 0 | 108 | S176 E180 | S176-V178 WeakPolarHBondContact CB-O 3.31Å; S176-V178 PolarHBondContact OG-N 2.91Å; S176-V178 PolarHBondContact OG-O 3.42Å; V178-E180 PolarHBondContact O-N 3.18Å |
| 179 | P | 86.9 | Confident | 80.7 | Confident | 16 Ų | 16 | 59.8 Ų | 59.8 | 10% | 0.104 | 31% | 0.311 | C | S | . | . | trans | -52.5 | 137.4 | 171.7 | -26.1 | 35.3 | 0 | 0 | 0 | 111.1 | R170 T171 W172 Q181 Y182 | R170-P179 HydrophobicContact CB-CB 4.21Å; R170-P179 HydrophobicContact CB-CG 4.33Å; T171-P179 CarbonylContact O-C 3.53Å; T171-P179 VanDerWaalsContact O-CA 3.25Å; T171-P179 WeakPolarHBondContact O-CA 3.44Å; T171-P179 WeakPolarHBondContact O-CB 3.2Å; W172-P179 HydrophobicContact CD2-CB 4.44Å; W172-P179 HydrophobicContact CD2-CG 4.2Å; W172-P179 HydrophobicContact CE3-CB 4.36Å; W172-P179 HydrophobicContact CE3-CG 3.92Å; W172-P179 HydrophobicContact CH2-CG 3.52Å; W172-P179 HydrophobicContact CZ2-CG 3.77Å; W172-P179 HydrophobicContact CZ3-CB 4.47Å; W172-P179 HydrophobicContact CZ3-CG 3.57Å; P179-Q181 VanDerWaalsContact C-N 3.28Å; P179-Y182 HydrophobicContact CB-CD2 4.27Å; P179-Y182 HydrophobicContact CB-CE2 3.76Å; P179-Y182 HydrophobicContact CG-CE1 4.19Å; P179-Y182 HydrophobicContact CG-CE2 3.98Å; P179-Y182 WeakPolarHBondContact CG-OH 3.34Å | ||
| 180 | E | 85.3 | Confident | 80.5 | Confident | 86 Ų | 86 | 60.3 Ų | 60.3 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -67 | -37.3 | 172.3 | -171.9 | -177.5 | -158.6 | 0 | 0 | 109.8 | K160 T171 V178 | K160-E180 VanDerWaalsContact CE-OE2 3.29Å; K160-E180 WeakPolarHBondContact CE-OE2 3.44Å; K160-E180 IonicContact NZ-OE1 2.66Å; K160-E180 PolarHBondContact NZ-OE1 2.87Å; K160-E180 IonicContact NZ-OE2 3.19Å; K160-E180 PolarHBondContact NZ-OE2 3.03Å; T171-E180 PolarHBondContact O-N 3.13Å; V178-E180 PolarHBondContact O-N 3.18Å |
| 181 | Q | 84.6 | Confident | 80.3 | Confident | 43 Ų | 43 | 63.4 Ų | 63.4 | 20% | 0.201 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 161.1 | 177.2 | -49.5 | 178.7 | -8.5 | 0 | 0 | 113.1 | R170 T171 P179 I217 | R170-Q181 WeakPolarHBondContact CA-O 3.41Å; T171-Q181 PolarHBondContact N-O 2.88Å; T171-Q181 VanDerWaalsContact N-O 3.13Å; T171-Q181 WeakPolarHBondContact OG1-CB 3.33Å; T171-Q181 PolarHBondContact OG1-N 2.8Å; P179-Q181 VanDerWaalsContact C-N 3.28Å; Q181-I217 PolarHBondContact NE2-O 3.41Å; Q181-I217 PolarHBondContact OE1-O 3.27Å |
| 182 | Y | 87.2 | Confident | 80.3 | Confident | 126 Ų | 126 | 63.5 Ų | 63.5 | 49% | 0.494 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 118.9 | 173.5 | -66.6 | -105.2 | 0 | 0 | 0 | 108.7 | R170 P179 | R170-Y182 HydrophobicContact CG-CD1 3.83Å; R170-Y182 HydrophobicContact CG-CE1 4.13Å; R170-Y182 HydrophobicContact CG-CG 4.48Å; P179-Y182 HydrophobicContact CB-CD2 4.27Å; P179-Y182 HydrophobicContact CB-CE2 3.76Å; P179-Y182 HydrophobicContact CG-CE1 4.19Å; P179-Y182 HydrophobicContact CG-CE2 3.98Å; P179-Y182 WeakPolarHBondContact CG-OH 3.34Å |
| 183 | I | 84.2 | Confident | 80.3 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 84.5 | -176.4 | -55 | -178.7 | 0 | 0 | 0 | 107.4 | V169 T171 M203 W215 I217 P220 | V169-I183 HydrophobicContact CB-CB 4.39Å; V169-I183 PolarHBondContact N-O 3.32Å; V169-I183 PolarHBondContact O-N 2.83Å; T171-I183 HydrophobicContact CG2-CD1 4.03Å; I183-M203 HydrophobicContact CB-CE 4.16Å; I183-M203 HydrophobicContact CD1-CE 3.48Å; I183-M203 VanDerWaalsContact CD1-CE 3.48Å; I183-M203 HydrophobicContact CG1-CE 4.37Å; I183-M203 HydrophobicContact CG2-CE 3.82Å; I183-W215 HydrophobicContact CG2-CD2 3.55Å; I183-W215 HydrophobicContact CG2-CE3 3.5Å; I183-W215 VanDerWaalsContact CG2-CE3 3.5Å; I183-W215 HydrophobicContact CG2-CG 4.11Å; I183-W215 HydrophobicContact CG2-CH2 4.14Å; I183-W215 HydrophobicContact CG2-CZ2 4.18Å; I183-W215 HydrophobicContact CG2-CZ3 3.8Å; I183-I217 HydrophobicContact CD1-CG1 3.82Å; I183-P220 HydrophobicContact CD1-CB 4.4Å; I183-P220 HydrophobicContact CG1-CB 3.91Å |
| 184 | S | 67.2 | Low | 80.5 | Confident | 64 Ų | 64 | 63.1 Ų | 63.1 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | trans | -147.1 | 78.9 | -169.9 | 59.9 | 0 | 0 | 0 | 0 | 111.3 | S167 | S167-S184 WeakPolarHBondContact O-CB 3.35Š| ||
| 185 | V | 56.3 | Low | 80.7 | Confident | 69 Ų | 69 | 61.8 Ų | 61.8 | 42% | 0.418 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -83.8 | -24.4 | 179 | 177.7 | 0 | 0 | 0 | 0 | 112.6 | W215 S221 | V185-W215 HydrophobicContact CB-CH2 3.93Å; V185-W215 HydrophobicContact CB-CZ3 4.43Å; V185-W215 HydrophobicContact CG2-CH2 3.52Å; V185-W215 HydrophobicContact CG2-CZ3 3.54Å; V185-S221 WeakPolarHBondContact CG2-O 3.04Å |
| 186 | Q | 55.5 | Low | 80.9 | Confident | 102 Ų | 102 | 52 Ų | 52 | 48% | 0.477 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -142.9 | 155 | 176.7 | -66.6 | -171.6 | -39.2 | 0 | 0 | 109.8 | D188 | Q186-D188 WeakPolarHBondContact CB-OD2 3.21Å; Q186-D188 PolarHBondContact O-N 2.88Å |
| 187 | A | 55.3 | Low | 81.1 | Confident | 100 Ų | 100 | 51.5 Ų | 51.5 | 83% | 0.826 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -78.4 | 28.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 188 | D | 67.4 | Low | 81.4 | Confident | 29 Ų | 29 | 50.5 Ų | 50.5 | 16% | 0.155 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -88.2 | 134.8 | -175.3 | -30.1 | -55.3 | 0 | 0 | 0 | 110.2 | Q186 V190 N207 C209 R213 | Q186-D188 WeakPolarHBondContact CB-OD2 3.21Å; Q186-D188 PolarHBondContact O-N 2.88Å; D188-V190 PolarHBondContact O-N 3.1Å; D188-N207 HydrophobicContact CB-CB 3.94Å; D188-N207 WeakPolarHBondContact CB-ND2 3.43Å; D188-N207 PolarHBondContact OD2-ND2 2.87Å; D188-C209 HydrophobicContact CB-CB 4.49Å; D188-R213 IonicContact OD2-CZ 3.23Å; D188-R213 IonicContact OD2-NH1 2.68Å; D188-R213 PolarHBondContact OD2-NH1 3.16Å; D188-R213 IonicContact OD2-NH2 2.75Å; D188-R213 PolarHBondContact OD2-NH2 3.28Å |
| 189 | H | 79.5 | Confident | 81.5 | Confident | 86 Ų | 86 | 49.7 Ų | 49.7 | 40% | 0.398 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 124 | 173.7 | -58.9 | -25 | 0 | 0 | 0 | 110.4 | S166 N207 E208 | S166-H189 PolarHBondContact O-ND1 2.86Å; H189-N207 CarbonylContact O-C 3.55Å; H189-N207 VanDerWaalsContact O-CA 3.28Å; H189-N207 WeakPolarHBondContact O-CA 3.38Å; H189-N207 WeakPolarHBondContact O-CB 3.48Å; H189-E208 HydrophobicContact CB-CG 3.99Å; H189-E208 IonicContact CD2-OE2 3.76Å; H189-E208 PolarHBondContact CD2-OE2 2.8Å; H189-E208 PolarHBondContact O-N 3.12Å |
| 190 | V | 86.3 | Confident | 81.6 | Confident | 12 Ų | 12 | 51.3 Ų | 51.3 | 7% | 0.073 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 129.4 | 174.2 | 175.2 | 0 | 0 | 0 | 0 | 108.5 | C164 V169 D188 T205 V206 | C164-V190 VanDerWaalsContact SG-CB 3.59Å; C164-V190 PolarHBondContact SG-O 3.45Å; V169-V190 HydrophobicContact CG2-CG1 4.12Å; V169-V190 HydrophobicContact CG2-CG2 4.43Å; D188-V190 PolarHBondContact O-N 3.1Å; V190-T205 HydrophobicContact CG1-CG2 4.43Å; V190-V206 CarbonylContact C-O 3.57Å; V190-V206 WeakPolarHBondContact CG1-O 3.36Å |
| 191 | R | 87.3 | Confident | 81.8 | Confident | 91 Ų | 91 | 49.3 Ų | 49.3 | 34% | 0.343 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -46.4 | -177.9 | -70.1 | -69.9 | -113.4 | -159.9 | 8.5 | 111.9 | I150 V206 E208 E251 | I150-R191 WeakPolarHBondContact CD1-O 3.48Å; R191-V206 PolarHBondContact N-O 2.81Å; R191-E208 VanDerWaalsContact CD-CG 3.48Å; R191-E208 WeakPolarHBondContact CD-OE1 3.34Å; R191-E208 HydrophobicContact CG-CG 3.6Å; R191-E208 IonicContact CZ-OE1 3.64Å; R191-E208 IonicContact NE-OE1 3.57Å; R191-E208 IonicContact NH1-OE1 2.59Å; R191-E208 PolarHBondContact NH1-OE1 3.13Å; R191-E251 IonicContact NH2-OE1 2.68Å; R191-E251 PolarHBondContact NH2-OE1 2.97Å |
| 192 | D | 91.1 | Very high | 82.1 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 159.4 | 178 | -171 | 20.6 | 0 | 0 | 0 | 109.7 | I150 K152 V206 K236 V237 | I150-D192 HydrophobicContact CD1-CB 4.21Å; K152-D192 IonicContact NZ-OD1 3.84Å; K152-D192 PolarHBondContact NZ-OD1 2.78Å; K152-D192 IonicContact NZ-OD2 3.28Å; D192-V206 PolarHBondContact O-N 2.84Å; D192-K236 WeakPolarHBondContact OD2-CA 3.38Å; D192-K236 WeakPolarHBondContact OD2-CG 3.3Å; D192-V237 HydrophobicContact CB-CG1 4.2Å; D192-V237 PolarHBondContact OD2-N 3.32Å |
| 193 | F | 93.6 | Very high | 82.4 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 152 | 176.3 | 75.8 | -80.3 | 0 | 0 | 0 | 109.9 | I150 K152 A162 C164 V169 W195 M203 V204 T205 | I150-F193 HydrophobicContact CB-CE1 4.18Å; I150-F193 HydrophobicContact CG2-CD1 4.36Å; I150-F193 HydrophobicContact CG2-CE1 3.79Å; K152-F193 HydrophobicContact CB-CE2 3.94Å; K152-F193 HydrophobicContact CB-CZ 3.8Å; K152-F193 VanDerWaalsContact CD-O 3.25Å; K152-F193 WeakPolarHBondContact CD-O 3.22Å; K152-F193 WeakPolarHBondContact CE-O 3.33Å; K152-F193 HydrophobicContact CG-CE2 4.41Å; K152-F193 HydrophobicContact CG-CZ 4.05Å; K152-F193 PolarHBondContact NZ-O 3.48Å; A162-F193 HydrophobicContact CB-CE2 3.71Å; A162-F193 HydrophobicContact CB-CZ 3.92Å; A162-F193 WeakPolarHBondContact O-CZ 3.41Å; C164-F193 HydrophobicContact CB-CD1 3.82Å; C164-F193 HydrophobicContact CB-CE1 3.82Å; V169-F193 HydrophobicContact CG2-CG 4.5Å; F193-W195 AromaticContact CE2-NE1 3.94Å; F193-M203 HydrophobicContact CD2-SD 4.18Å; F193-V204 CarbonylContact C-O 3.55Å; F193-V204 WeakPolarHBondContact CA-O 3.15Å; F193-V204 VanDerWaalsContact CB-O 3.27Å; F193-V204 WeakPolarHBondContact CB-O 3.1Å; F193-T205 HydrophobicContact CB-CG2 3.8Å |
| 194 | D | 94.3 | Very high | 82.8 | Confident | 11 Ų | 11 | 43.2 Ų | 43.2 | 6% | 0.059 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 148.6 | 175.4 | -169 | 19.2 | 0 | 0 | 0 | 112 | R155 M203 V204 I238 Y239 | R155-D194 IonicContact CZ-OD1 2.81Å; R155-D194 IonicContact NE-OD1 3.3Å; R155-D194 IonicContact NH2-OD1 3.91Å; R155-D194 PolarHBondContact NH2-OD1 3.48Å; R155-D194 IonicContact NH2-OD2 2.67Å; R155-D194 PolarHBondContact NH2-OD2 2.81Å; D194-M203 CarbonylContact O-C 3.59Å; D194-M203 WeakPolarHBondContact O-CA 3.24Å; D194-M203 WeakPolarHBondContact O-CB 3.42Å; D194-V204 HydrophobicContact CB-CG1 4.26Å; D194-V204 PolarHBondContact N-O 3Å; D194-V204 PolarHBondContact O-N 2.9Å; D194-I238 WeakPolarHBondContact OD2-CA 3.16Å; D194-Y239 HydrophobicContact CB-CD2 4.12Å; D194-Y239 WeakPolarHBondContact O-CE2 3.38Å; D194-Y239 PolarHBondContact OD2-N 3.2Å |
| 195 | W | 93.8 | Very high | 84 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 3% | 0.03 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 139.4 | 178.5 | -71.6 | 101.2 | 0 | 0 | 0 | 111.2 | K152 W153 N154 R155 A162 F193 M203 I217 Y239 | K152-W195 PolarHBondContact O-NE1 3.45Å; W153-W195 PolarHBondContact O-NE1 3.39Å; W153-W195 VanDerWaalsContact O-NE1 3.16Å; N154-W195 HydrophobicContact CB-CD2 4.49Å; N154-W195 HydrophobicContact CB-CH2 4.05Å; N154-W195 HydrophobicContact CB-CZ2 4.01Å; N154-W195 HydrophobicContact CB-CZ3 4.31Å; N154-W195 VanDerWaalsContact ND2-CH2 3.34Å; N154-W195 WeakPolarHBondContact ND2-CH2 3.21Å; N154-W195 WeakPolarHBondContact ND2-CZ3 3.25Å; R155-W195 HydrophobicContact CG-CB 4.01Å; R155-W195 VanDerWaalsContact CZ-O 3.3Å; R155-W195 PolarHBondContact NE-O 3.47Å; R155-W195 PolarHBondContact NH2-O 2.92Å; A162-W195 HydrophobicContact CB-CZ2 3.65Å; F193-W195 AromaticContact CE2-NE1 3.94Å; W195-M203 HydrophobicContact CE3-CB 4.33Å; W195-I217 HydrophobicContact CE3-CD1 4.24Å; W195-I217 HydrophobicContact CH2-CD1 3.33Å; W195-I217 HydrophobicContact CZ2-CD1 4.44Å; W195-I217 HydrophobicContact CZ3-CD1 3.2Å; W195-Y239 VanDerWaalsContact O-CD2 3.26Å; W195-Y239 WeakPolarHBondContact O-CD2 3.19Å |
| 196 | S | 92.1 | Very high | 85.6 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | trans | -65.3 | 132.6 | 172.1 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | F156 Q198 N199 Q202 | F156-S196 WeakPolarHBondContact CE2-O 3.47Å; S196-Q198 VanDerWaalsContact C-N 3.29Å; S196-Q198 PolarHBondContact OG-N 2.95Å; S196-N199 PolarHBondContact OG-N 3.48Å; S196-N199 VanDerWaalsContact OG-N 3.13Å; S196-Q202 WeakPolarHBondContact CB-O 3.45Å; S196-Q202 PolarHBondContact N-O 3.44Å | ||
| 197 | P | 88.9 | Confident | 87.1 | Confident | 31 Ų | 31 | 32.3 Ų | 32.3 | 20% | 0.201 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -85.8 | 3.4 | 172.1 | 32.7 | -31.1 | 0 | 0 | 0 | 113.6 | F156 T240 | F156-P197 WeakPolarHBondContact CZ-O 3.48Å; P197-T240 VanDerWaalsContact CG-O 3.28Å; P197-T240 WeakPolarHBondContact CG-O 3.44Å |
| 198 | Q | 86.3 | Confident | 88.5 | Confident | 86 Ų | 86 | 31.3 Ų | 31.3 | 40% | 0.402 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -104.3 | -44.5 | 169.7 | -74.3 | 173.8 | 0 | 0 | 0 | 111.7 | S196 S242 D244 | S196-Q198 VanDerWaalsContact C-N 3.29Å; S196-Q198 PolarHBondContact OG-N 2.95Å; Q198-S242 WeakPolarHBondContact CG-O 3.48Å; Q198-S242 PolarHBondContact NE2-O 3.27Å; Q198-D244 PolarHBondContact NE2-OD1 2.79Å |
| 199 | N | 88.2 | Confident | 89.2 | Confident | 68 Ų | 68 | 32.5 Ų | 32.5 | 36% | 0.364 | 17% | 0.165 | S | C | . | . | trans | -116.1 | 114.1 | -166.7 | -67.6 | -34.3 | 0 | 0 | 0 | 111.9 | S196 N201 Q202 | S196-N199 PolarHBondContact OG-N 3.48Å; S196-N199 VanDerWaalsContact OG-N 3.13Å; N199-N201 VanDerWaalsContact C-N 3.26Å; N199-N201 PolarHBondContact O-N 2.95Å; N199-N201 VanDerWaalsContact O-N 3.12Å; N199-Q202 HydrophobicContact CB-CB 3.91Å; N199-Q202 HydrophobicContact CB-CG 3.83Å; N199-Q202 PolarHBondContact ND2-OE1 3.37Å; N199-Q202 PolarHBondContact O-N 3.39Å | ||
| 200 | V | 89.6 | Confident | 89.4 | Confident | 51 Ų | 51 | 29 Ų | 29 | 31% | 0.309 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -40.2 | -173.6 | -176 | 0 | 0 | 0 | 0 | 114.2 | N154 F156 L157 | N154-V200 PolarHBondContact ND2-O 3.45Å; F156-V200 HydrophobicContact CB-CG1 4.21Å; F156-V200 HydrophobicContact CB-CG2 4.09Å; F156-V200 HydrophobicContact CD1-CG2 4.35Å; F156-V200 HydrophobicContact CD2-CB 4.12Å; F156-V200 HydrophobicContact CD2-CG1 4.29Å; F156-V200 HydrophobicContact CD2-CG2 3.8Å; F156-V200 HydrophobicContact CE2-CG2 4.2Å; F156-V200 HydrophobicContact CG-CG2 3.86Å; L157-V200 HydrophobicContact CD1-CG1 3.7Å; L157-V200 HydrophobicContact CD2-CG1 4.01Å; L157-V200 HydrophobicContact CG-CG1 3.56Å |
| 201 | N | 89 | Confident | 89.5 | Confident | 43 Ų | 43 | 29 Ų | 29 | 23% | 0.23 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 1.2 | -174.4 | -62.7 | -23.2 | 0 | 0 | 0 | 113.9 | N199 D216 I217 E218 | N199-N201 VanDerWaalsContact C-N 3.26Å; N199-N201 PolarHBondContact O-N 2.95Å; N199-N201 VanDerWaalsContact O-N 3.12Å; N201-D216 WeakPolarHBondContact CB-OD1 3.35Å; N201-I217 HydrophobicContact CB-CB 4.44Å; N201-I217 WeakPolarHBondContact O-CB 3.41Å; N201-I217 WeakPolarHBondContact O-CG1 3.35Å; N201-I217 PolarHBondContact O-N 2.79Å; N201-E218 WeakPolarHBondContact ND2-CG 3.43Å; N201-E218 PolarHBondContact ND2-OE1 2.74Å |
| 202 | Q | 91.1 | Very high | 89.7 | Confident | 47 Ų | 47 | 24.7 Ų | 24.7 | 22% | 0.22 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 139.1 | -174.1 | -68.6 | -179.4 | -1.8 | 0 | 0 | 113.1 | S196 N199 W215 L224 | S196-Q202 WeakPolarHBondContact CB-O 3.45Å; S196-Q202 PolarHBondContact N-O 3.44Å; N199-Q202 HydrophobicContact CB-CB 3.91Å; N199-Q202 HydrophobicContact CB-CG 3.83Å; N199-Q202 PolarHBondContact ND2-OE1 3.37Å; N199-Q202 PolarHBondContact O-N 3.39Å; Q202-W215 VanDerWaalsContact CA-O 3.32Å; Q202-W215 WeakPolarHBondContact CA-O 3.17Å; Q202-L224 HydrophobicContact CG-CD1 4.38Å |
| 203 | M | 92.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 152.5 | 171.9 | 65.7 | 170.1 | -164.6 | 0 | 0 | 111 | V169 I183 F193 D194 W195 T205 W215 I217 | V169-M203 HydrophobicContact CB-CE 4.06Å; V169-M203 HydrophobicContact CG1-CE 3.96Å; V169-M203 HydrophobicContact CG1-SD 4.09Å; V169-M203 HydrophobicContact CG2-CE 4.36Å; I183-M203 HydrophobicContact CB-CE 4.16Å; I183-M203 HydrophobicContact CD1-CE 3.48Å; I183-M203 VanDerWaalsContact CD1-CE 3.48Å; I183-M203 HydrophobicContact CG1-CE 4.37Å; I183-M203 HydrophobicContact CG2-CE 3.82Å; F193-M203 HydrophobicContact CD2-SD 4.18Å; D194-M203 CarbonylContact O-C 3.59Å; D194-M203 WeakPolarHBondContact O-CA 3.24Å; D194-M203 WeakPolarHBondContact O-CB 3.42Å; W195-M203 HydrophobicContact CE3-CB 4.33Å; M203-T205 HydrophobicContact CE-CG2 3.89Å; M203-W215 HydrophobicContact CE-CB 4.08Å; M203-W215 HydrophobicContact CE-CG 3.92Å; M203-W215 HydrophobicContact CG-CB 4.01Å; M203-W215 HydrophobicContact CG-CG 4.49Å; M203-W215 PolarHBondContact N-O 3.31Å; M203-W215 PolarHBondContact O-N 2.95Å; M203-I217 HydrophobicContact CG-CD1 4.35Å; M203-I217 HydrophobicContact SD-CD1 4.36Å |
| 204 | V | 92.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 139.8 | 169.9 | 69.1 | 0 | 0 | 0 | 0 | 109.4 | F193 D194 M212 R213 V237 Y239 I246 | F193-V204 CarbonylContact C-O 3.55Å; F193-V204 WeakPolarHBondContact CA-O 3.15Å; F193-V204 VanDerWaalsContact CB-O 3.27Å; F193-V204 WeakPolarHBondContact CB-O 3.1Å; D194-V204 HydrophobicContact CB-CG1 4.26Å; D194-V204 PolarHBondContact N-O 3Å; D194-V204 PolarHBondContact O-N 2.9Å; V204-M212 HydrophobicContact CG2-CG 3.43Å; V204-M212 VanDerWaalsContact CG2-CG 3.43Å; V204-M212 HydrophobicContact CG2-SD 3.78Å; V204-R213 CarbonylContact C-O 3.54Å; V204-R213 WeakPolarHBondContact CA-O 3.17Å; V204-V237 HydrophobicContact CG1-CG1 4.13Å; V204-V237 HydrophobicContact CG1-CG2 3.62Å; V204-V237 HydrophobicContact CG2-CG2 4.28Å; V204-Y239 HydrophobicContact CB-CE2 3.94Å; V204-Y239 HydrophobicContact CG1-CD2 4.05Å; V204-Y239 HydrophobicContact CG1-CE2 3.54Å; V204-I246 HydrophobicContact CB-CD1 4.16Å; V204-I246 HydrophobicContact CG1-CD1 4.36Å; V204-I246 HydrophobicContact CG1-CG2 4.33Å; V204-I246 HydrophobicContact CG2-CD1 4.08Å |
| 205 | T | 92.4 | Very high | 89.4 | Confident | 4 Ų | 4 | 25.3 Ų | 25.3 | 3% | 0.025 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 148.2 | 172.3 | 64.7 | 0 | 0 | 0 | 0 | 110.5 | V169 V190 F193 M203 M212 R213 W215 | V169-T205 HydrophobicContact CG2-CG2 3.86Å; V190-T205 HydrophobicContact CG1-CG2 4.43Å; F193-T205 HydrophobicContact CB-CG2 3.8Å; M203-T205 HydrophobicContact CE-CG2 3.89Å; T205-M212 WeakPolarHBondContact O-CA 3.24Å; T205-R213 PolarHBondContact N-O 2.87Å; T205-R213 PolarHBondContact O-N 2.9Å; T205-R213 PolarHBondContact OG1-O 2.97Å; T205-W215 PolarHBondContact OG1-NE1 2.82Å |
| 206 | V | 90.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 132.5 | 171.3 | 159.3 | 0 | 0 | 0 | 0 | 109.7 | V190 R191 D192 E211 M212 L234 V237 | V190-V206 CarbonylContact C-O 3.57Å; V190-V206 WeakPolarHBondContact CG1-O 3.36Å; R191-V206 PolarHBondContact N-O 2.81Å; D192-V206 PolarHBondContact O-N 2.84Å; V206-E211 WeakPolarHBondContact CA-O 3.48Å; V206-M212 HydrophobicContact CG2-CB 4.25Å; V206-M212 HydrophobicContact CG2-CG 4.39Å; V206-L234 HydrophobicContact CG1-CB 3.35Å; V206-L234 HydrophobicContact CG1-CD1 3.9Å; V206-L234 HydrophobicContact CG1-CG 4.26Å; V206-L234 HydrophobicContact CG2-CD1 4.19Å; V206-V237 HydrophobicContact CB-CB 4.48Å; V206-V237 HydrophobicContact CB-CG1 4.27Å; V206-V237 HydrophobicContact CG2-CB 3.8Å; V206-V237 HydrophobicContact CG2-CG1 3.98Å; V206-V237 HydrophobicContact CG2-CG2 4.16Å |
| 207 | N | 88.1 | Confident | 89 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 167.4 | -179.6 | 75.2 | 5.4 | 0 | 0 | 0 | 114.1 | D188 H189 C209 S210 E211 R213 | D188-N207 HydrophobicContact CB-CB 3.94Å; D188-N207 WeakPolarHBondContact CB-ND2 3.43Å; D188-N207 PolarHBondContact OD2-ND2 2.87Å; H189-N207 CarbonylContact O-C 3.55Å; H189-N207 VanDerWaalsContact O-CA 3.28Å; H189-N207 WeakPolarHBondContact O-CA 3.38Å; H189-N207 WeakPolarHBondContact O-CB 3.48Å; N207-C209 PolarHBondContact O-N 3.24Å; N207-C209 VanDerWaalsContact OD1-C 3.29Å; N207-C209 WeakPolarHBondContact OD1-CA 3.31Å; N207-C209 PolarHBondContact OD1-N 3.05Å; N207-S210 PolarHBondContact O-N 2.89Å; N207-S210 PolarHBondContact OD1-N 2.76Å; N207-S210 VanDerWaalsContact OD1-N 3.17Å; N207-E211 PolarHBondContact N-O 3.41Å; N207-E211 VanDerWaalsContact N-O 3.1Å; N207-E211 PolarHBondContact OD1-N 3.01Å; N207-E211 PolarHBondContact OD1-O 2.89Å; N207-R213 VanDerWaalsContact ND2-CZ 3.31Å; N207-R213 PolarHBondContact ND2-NH1 2.97Å; N207-R213 PolarHBondContact ND2-NH2 2.81Å; N207-R213 VanDerWaalsContact ND2-NH2 3.17Å |
| 208 | E | 83.8 | Confident | 88.8 | Confident | 80 Ų | 80 | 31.3 Ų | 31.3 | 37% | 0.374 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -18.6 | 175.5 | -70.2 | -172.1 | 175.7 | 0 | 0 | 113.9 | H189 R191 S210 | H189-E208 HydrophobicContact CB-CG 3.99Å; H189-E208 IonicContact CD2-OE2 3.76Å; H189-E208 PolarHBondContact CD2-OE2 2.8Å; H189-E208 PolarHBondContact O-N 3.12Å; R191-E208 VanDerWaalsContact CD-CG 3.48Å; R191-E208 WeakPolarHBondContact CD-OE1 3.34Å; R191-E208 HydrophobicContact CG-CG 3.6Å; R191-E208 IonicContact CZ-OE1 3.64Å; R191-E208 IonicContact NE-OE1 3.57Å; R191-E208 IonicContact NH1-OE1 2.59Å; R191-E208 PolarHBondContact NH1-OE1 3.13Å; E208-S210 PolarHBondContact O-N 3.47Å |
| 209 | C | 82.6 | Confident | 88.7 | Confident | 54 Ų | 54 | 31 Ų | 31 | 37% | 0.365 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 14.9 | 172.8 | -71 | 0 | 0 | 0 | 0 | 113.4 | D188 N207 E211 | D188-C209 HydrophobicContact CB-CB 4.49Å; N207-C209 PolarHBondContact O-N 3.24Å; N207-C209 VanDerWaalsContact OD1-C 3.29Å; N207-C209 WeakPolarHBondContact OD1-CA 3.31Å; N207-C209 PolarHBondContact OD1-N 3.05Å; C209-E211 PolarHBondContact O-N 3.34Å |
| 210 | S | 84.3 | Confident | 88.5 | Confident | 13 Ų | 13 | 29.1 Ų | 29.1 | 9% | 0.091 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 60.9 | 38.5 | 176.5 | -61 | 0 | 0 | 0 | 0 | 113.9 | N207 E208 F229 I232 | N207-S210 PolarHBondContact O-N 2.89Å; N207-S210 PolarHBondContact OD1-N 2.76Å; N207-S210 VanDerWaalsContact OD1-N 3.17Å; E208-S210 PolarHBondContact O-N 3.47Å; S210-F229 WeakPolarHBondContact CB-O 3.26Å; S210-F229 WeakPolarHBondContact O-CB 3.16Å; S210-F229 WeakPolarHBondContact O-CD2 3.24Å; S210-F229 PolarHBondContact O-N 2.92Å; S210-I232 WeakPolarHBondContact CB-O 3.43Å; S210-I232 VanDerWaalsContact OG-C 3.31Å; S210-I232 PolarHBondContact OG-O 2.88Å |
| 211 | E | 87.9 | Confident | 88 | Confident | 11 Ų | 11 | 31.2 Ų | 31.2 | 5% | 0.051 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 132.7 | 171.3 | -64.4 | -167.8 | 176.3 | 0 | 0 | 112 | V206 N207 C209 R213 V227 R228 | V206-E211 WeakPolarHBondContact CA-O 3.48Å; N207-E211 PolarHBondContact N-O 3.41Å; N207-E211 VanDerWaalsContact N-O 3.1Å; N207-E211 PolarHBondContact OD1-N 3.01Å; N207-E211 PolarHBondContact OD1-O 2.89Å; C209-E211 PolarHBondContact O-N 3.34Å; E211-R213 HydrophobicContact CB-CG 4.37Å; E211-R213 IonicContact OE2-CZ 2.72Å; E211-R213 VanDerWaalsContact OE2-CZ 3.23Å; E211-R213 IonicContact OE2-NE 2.57Å; E211-R213 PolarHBondContact OE2-NE 3.49Å; E211-R213 IonicContact OE2-NH2 2.77Å; E211-R213 PolarHBondContact OE2-NH2 3.29Å; E211-V227 CarbonylContact C-O 3.57Å; E211-V227 VanDerWaalsContact CA-O 3.28Å; E211-V227 WeakPolarHBondContact CA-O 3.31Å; E211-R228 HydrophobicContact CG-CB 3.91Å; E211-R228 HydrophobicContact CG-CG 3.79Å; E211-R228 WeakPolarHBondContact OE1-CD 3.24Å; E211-R228 IonicContact OE1-CZ 3.65Å; E211-R228 IonicContact OE1-NE 3.9Å; E211-R228 IonicContact OE1-NH1 2.72Å; E211-R228 PolarHBondContact OE1-NH1 3.44Å |
| 212 | M | 90.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 130.4 | 161.1 | 179.1 | 174.5 | 54 | 0 | 0 | 108.5 | V204 T205 V206 K226 V227 F229 I246 I248 W263 L268 | V204-M212 HydrophobicContact CG2-CG 3.43Å; V204-M212 VanDerWaalsContact CG2-CG 3.43Å; V204-M212 HydrophobicContact CG2-SD 3.78Å; T205-M212 WeakPolarHBondContact O-CA 3.24Å; V206-M212 HydrophobicContact CG2-CB 4.25Å; V206-M212 HydrophobicContact CG2-CG 4.39Å; M212-K226 CarbonylContact O-C 3.6Å; M212-K226 VanDerWaalsContact O-CA 3.31Å; M212-K226 WeakPolarHBondContact O-CA 3.18Å; M212-V227 HydrophobicContact CE-CB 4.43Å; M212-V227 HydrophobicContact CE-CG2 4.45Å; M212-V227 PolarHBondContact N-O 3.38Å; M212-V227 PolarHBondContact O-N 3.38Å; M212-F229 HydrophobicContact CB-CE2 3.82Å; M212-F229 HydrophobicContact CE-CZ 4.35Å; M212-I246 HydrophobicContact SD-CD1 4.45Å; M212-I246 HydrophobicContact SD-CG2 4.11Å; M212-I248 HydrophobicContact CE-CD1 3.81Å; M212-I248 HydrophobicContact SD-CD1 3.55Å; M212-I248 VanDerWaalsContact SD-CD1 3.55Å; M212-I248 HydrophobicContact SD-CG1 4.28Å; M212-W263 HydrophobicContact CE-CB 4.29Å; M212-W263 HydrophobicContact CE-CD2 4.03Å; M212-W263 HydrophobicContact CE-CE3 4.09Å; M212-W263 HydrophobicContact CE-CG 4.07Å; M212-L268 HydrophobicContact CE-CB 4.19Å; M212-L268 HydrophobicContact CE-CD1 4.35Å; M212-L268 HydrophobicContact CE-CD2 3.99Å; M212-L268 HydrophobicContact CE-CG 4.41Å; M212-L268 HydrophobicContact SD-CD2 4.41Å |
| 213 | R | 90.5 | Very high | 87.5 | Confident | 15 Ų | 15 | 34.7 Ų | 34.7 | 6% | 0.057 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 126.1 | -179.1 | -60.4 | 176.3 | -178 | 156 | -0.1 | 109.5 | D188 V204 T205 N207 E211 W215 P223 K226 | D188-R213 IonicContact OD2-CZ 3.23Å; D188-R213 IonicContact OD2-NH1 2.68Å; D188-R213 PolarHBondContact OD2-NH1 3.16Å; D188-R213 IonicContact OD2-NH2 2.75Å; D188-R213 PolarHBondContact OD2-NH2 3.28Å; V204-R213 CarbonylContact C-O 3.54Å; V204-R213 WeakPolarHBondContact CA-O 3.17Å; T205-R213 PolarHBondContact N-O 2.87Å; T205-R213 PolarHBondContact O-N 2.9Å; T205-R213 PolarHBondContact OG1-O 2.97Å; N207-R213 VanDerWaalsContact ND2-CZ 3.31Å; N207-R213 PolarHBondContact ND2-NH1 2.97Å; N207-R213 PolarHBondContact ND2-NH2 2.81Å; N207-R213 VanDerWaalsContact ND2-NH2 3.17Å; E211-R213 HydrophobicContact CB-CG 4.37Å; E211-R213 IonicContact OE2-CZ 2.72Å; E211-R213 VanDerWaalsContact OE2-CZ 3.23Å; E211-R213 IonicContact OE2-NE 2.57Å; E211-R213 PolarHBondContact OE2-NE 3.49Å; E211-R213 IonicContact OE2-NH2 2.77Å; E211-R213 PolarHBondContact OE2-NH2 3.29Å; R213-W215 HydrophobicContact CB-CZ2 4.05Å; R213-P223 HydrophobicContact CB-CB 3.97Å; R213-K226 HydrophobicContact CG-CB 4.05Å |
| 214 | L | 92 | Very high | 87.2 | Confident | 9 Ų | 9 | 38.1 Ų | 38.1 | 5% | 0.047 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 131.3 | 171.6 | 176.3 | 67.4 | 0 | 0 | 0 | 108.7 | P223 L224 K225 Y239 L268 | L214-P223 CarbonylContact O-C 3.53Å; L214-P223 VanDerWaalsContact O-C 3.3Å; L214-P223 WeakPolarHBondContact O-CA 3.46Å; L214-P223 VanDerWaalsContact O-CB 3.26Å; L214-P223 WeakPolarHBondContact O-CB 3.41Å; L214-L224 HydrophobicContact CD2-CB 4.26Å; L214-L224 HydrophobicContact CD2-CD1 4.27Å; L214-L224 HydrophobicContact CG-CB 4.27Å; L214-L224 HydrophobicContact CG-CD1 4.29Å; L214-L224 PolarHBondContact O-N 3.37Å; L214-K225 HydrophobicContact CB-CB 4.35Å; L214-K225 HydrophobicContact CD2-CB 4.46Å; L214-K225 PolarHBondContact N-O 3.36Å; L214-Y239 WeakPolarHBondContact CD1-OH 3.45Å; L214-L268 HydrophobicContact CB-CD1 4.03Å |
| 215 | W | 90.8 | Very high | 87 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 150.9 | -176.7 | -59.5 | 91.2 | 0 | 0 | 0 | 111.7 | I183 V185 Q202 M203 T205 R213 P223 | I183-W215 HydrophobicContact CG2-CD2 3.55Å; I183-W215 HydrophobicContact CG2-CE3 3.5Å; I183-W215 VanDerWaalsContact CG2-CE3 3.5Å; I183-W215 HydrophobicContact CG2-CG 4.11Å; I183-W215 HydrophobicContact CG2-CH2 4.14Å; I183-W215 HydrophobicContact CG2-CZ2 4.18Å; I183-W215 HydrophobicContact CG2-CZ3 3.8Å; V185-W215 HydrophobicContact CB-CH2 3.93Å; V185-W215 HydrophobicContact CB-CZ3 4.43Å; V185-W215 HydrophobicContact CG2-CH2 3.52Å; V185-W215 HydrophobicContact CG2-CZ3 3.54Å; Q202-W215 VanDerWaalsContact CA-O 3.32Å; Q202-W215 WeakPolarHBondContact CA-O 3.17Å; M203-W215 HydrophobicContact CE-CB 4.08Å; M203-W215 HydrophobicContact CE-CG 3.92Å; M203-W215 HydrophobicContact CG-CB 4.01Å; M203-W215 HydrophobicContact CG-CG 4.49Å; M203-W215 PolarHBondContact N-O 3.31Å; M203-W215 PolarHBondContact O-N 2.95Å; T205-W215 PolarHBondContact OG1-NE1 2.82Å; R213-W215 HydrophobicContact CB-CZ2 4.05Å; W215-P223 HydrophobicContact CD2-CB 4.06Å; W215-P223 HydrophobicContact CE3-CB 3.99Å; W215-P223 HydrophobicContact CH2-CB 4.09Å; W215-P223 HydrophobicContact CH2-CG 4.2Å; W215-P223 HydrophobicContact CZ2-CB 4.16Å; W215-P223 HydrophobicContact CZ3-CB 4.01Å; W215-P223 HydrophobicContact CZ3-CG 4.34Å |
| 216 | D | 90.1 | Very high | 86.8 | Confident | 21 Ų | 21 | 48.1 Ų | 48.1 | 11% | 0.112 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 133.7 | 156.6 | 172.4 | 29.1 | 0 | 0 | 0 | 108.1 | N201 E218 N219 L224 | N201-D216 WeakPolarHBondContact CB-OD1 3.35Å; D216-E218 PolarHBondContact OD1-N 3.43Å; D216-N219 CarbonylContact O-C 3.55Å; D216-N219 VanDerWaalsContact O-C 3.27Å; D216-N219 PolarHBondContact O-N 3.29Å; D216-N219 PolarHBondContact OD2-N 2.88Å; D216-N219 PolarHBondContact OD2-ND2 3.44Å; D216-L224 HydrophobicContact CB-CD1 3.96Å; D216-L224 HydrophobicContact CB-CD2 3.93Å; D216-L224 HydrophobicContact CB-CG 3.92Å |
| 217 | I | 87.2 | Confident | 86.7 | Confident | 12 Ų | 12 | 49.6 Ų | 49.6 | 6% | 0.062 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -83.5 | -18.6 | -179.4 | -69.9 | 168.5 | 0 | 0 | 0 | 111.1 | T171 Q181 I183 W195 N201 M203 N219 | T171-I217 HydrophobicContact CG2-CD1 4.11Å; T171-I217 HydrophobicContact CG2-CG1 4.43Å; T171-I217 HydrophobicContact CG2-CG2 4.24Å; Q181-I217 PolarHBondContact NE2-O 3.41Å; Q181-I217 PolarHBondContact OE1-O 3.27Å; I183-I217 HydrophobicContact CD1-CG1 3.82Å; W195-I217 HydrophobicContact CE3-CD1 4.24Å; W195-I217 HydrophobicContact CH2-CD1 3.33Å; W195-I217 HydrophobicContact CZ2-CD1 4.44Å; W195-I217 HydrophobicContact CZ3-CD1 3.2Å; N201-I217 HydrophobicContact CB-CB 4.44Å; N201-I217 WeakPolarHBondContact O-CB 3.41Å; N201-I217 WeakPolarHBondContact O-CG1 3.35Å; N201-I217 PolarHBondContact O-N 2.79Å; M203-I217 HydrophobicContact CG-CD1 4.35Å; M203-I217 HydrophobicContact SD-CD1 4.36Å; I217-N219 VanDerWaalsContact C-N 3.26Å |
| 218 | E | 85.1 | Confident | 86.6 | Confident | 136 Ų | 136 | 56.1 Ų | 56.1 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -73.7 | -23.6 | 167.7 | -73.6 | -179.7 | -173.8 | 0 | 0 | 112 | N201 D216 | N201-E218 WeakPolarHBondContact ND2-CG 3.43Å; N201-E218 PolarHBondContact ND2-OE1 2.74Å; D216-E218 PolarHBondContact OD1-N 3.43Å |
| 219 | N | 84.1 | Confident | 86.7 | Confident | 78 Ų | 78 | 53 Ų | 53 | 42% | 0.417 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -128.1 | 61 | -178.1 | -63.8 | -79 | 0 | 0 | 0 | 113.1 | D216 I217 S221 | D216-N219 CarbonylContact O-C 3.55Å; D216-N219 VanDerWaalsContact O-C 3.27Å; D216-N219 PolarHBondContact O-N 3.29Å; D216-N219 PolarHBondContact OD2-N 2.88Å; D216-N219 PolarHBondContact OD2-ND2 3.44Å; I217-N219 VanDerWaalsContact C-N 3.26Å; N219-S221 PolarHBondContact O-N 2.79Å |
| 220 | P | 82.9 | Confident | 86.5 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 19% | 0.188 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -3 | -170.7 | 30.4 | -38.4 | 0 | 0 | 0 | 115.1 | I183 Y222 | I183-P220 HydrophobicContact CD1-CB 4.4Å; I183-P220 HydrophobicContact CG1-CB 3.91Å; P220-Y222 VanDerWaalsContact C-N 3.31Å; P220-Y222 PolarHBondContact O-N 3.09Å |
| 221 | S | 80 | Confident | 86 | Confident | 96 Ų | 96 | 65.2 Ų | 65.2 | 67% | 0.671 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -23.4 | -175.6 | -62 | 0 | 0 | 0 | 0 | 113.8 | V185 N219 | V185-S221 WeakPolarHBondContact CG2-O 3.04Å; N219-S221 PolarHBondContact O-N 2.79Å |
| 222 | Y | 82.7 | Confident | 85.7 | Confident | 138 Ų | 138 | 65.9 Ų | 65.9 | 54% | 0.541 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -150.2 | 147.8 | 176 | 56.5 | -93.9 | 0 | 0 | 0 | 110.8 | P220 | P220-Y222 VanDerWaalsContact C-N 3.31Å; P220-Y222 PolarHBondContact O-N 3.09Å |
| 223 | P | 86.1 | Confident | 85.4 | Confident | 24 Ų | 24 | 71 Ų | 71 | 16% | 0.156 | 34% | 0.338 | C | S | . | . | trans | -71.1 | 135.6 | 171 | 30 | -33.3 | 0 | 0 | 0 | 110 | R213 L214 W215 K225 | R213-P223 HydrophobicContact CB-CB 3.97Å; L214-P223 CarbonylContact O-C 3.53Å; L214-P223 VanDerWaalsContact O-C 3.3Å; L214-P223 WeakPolarHBondContact O-CA 3.46Å; L214-P223 VanDerWaalsContact O-CB 3.26Å; L214-P223 WeakPolarHBondContact O-CB 3.41Å; W215-P223 HydrophobicContact CD2-CB 4.06Å; W215-P223 HydrophobicContact CE3-CB 3.99Å; W215-P223 HydrophobicContact CH2-CB 4.09Å; W215-P223 HydrophobicContact CH2-CG 4.2Å; W215-P223 HydrophobicContact CZ2-CB 4.16Å; W215-P223 HydrophobicContact CZ3-CB 4.01Å; W215-P223 HydrophobicContact CZ3-CG 4.34Å; P223-K225 VanDerWaalsContact C-N 3.27Å; P223-K225 PolarHBondContact O-N 3.09Å | ||
| 224 | L | 87.2 | Confident | 85.3 | Confident | 72 Ų | 72 | 70.5 Ų | 70.5 | 38% | 0.377 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -53.6 | -44.1 | 175.9 | -67.2 | -179 | 0 | 0 | 0 | 112.1 | Q202 L214 D216 | Q202-L224 HydrophobicContact CG-CD1 4.38Å; L214-L224 HydrophobicContact CD2-CB 4.26Å; L214-L224 HydrophobicContact CD2-CD1 4.27Å; L214-L224 HydrophobicContact CG-CB 4.27Å; L214-L224 HydrophobicContact CG-CD1 4.29Å; L214-L224 PolarHBondContact O-N 3.37Å; D216-L224 HydrophobicContact CB-CD1 3.96Å; D216-L224 HydrophobicContact CB-CD2 3.93Å; D216-L224 HydrophobicContact CB-CG 3.92Å |
| 225 | K | 87.8 | Confident | 85.1 | Confident | 79 Ų | 79 | 73.7 Ų | 73.7 | 34% | 0.343 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 149 | 178.1 | -64.2 | -171.1 | 177.1 | 178.9 | 0 | 109.3 | L214 P223 A266 N267 L268 | L214-K225 HydrophobicContact CB-CB 4.35Å; L214-K225 HydrophobicContact CD2-CB 4.46Å; L214-K225 PolarHBondContact N-O 3.36Å; P223-K225 VanDerWaalsContact C-N 3.27Å; P223-K225 PolarHBondContact O-N 3.09Å; K225-A266 PolarHBondContact NZ-O 3.36Å; K225-N267 PolarHBondContact NZ-OD1 2.88Å; K225-L268 HydrophobicContact CB-CD1 3.58Å; K225-L268 HydrophobicContact CB-CG 3.96Å |
| 226 | K | 88.5 | Confident | 85.1 | Confident | 135 Ų | 135 | 75.4 Ų | 75.4 | 59% | 0.587 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 146.3 | 175.8 | 64.8 | 176.5 | -176.5 | 173.6 | 0 | 111.7 | M212 R213 | M212-K226 CarbonylContact O-C 3.6Å; M212-K226 VanDerWaalsContact O-CA 3.31Å; M212-K226 WeakPolarHBondContact O-CA 3.18Å; R213-K226 HydrophobicContact CG-CB 4.05Å |
| 227 | V | 89.2 | Confident | 85.2 | Confident | 32 Ų | 32 | 74.4 Ų | 74.4 | 19% | 0.194 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 132.3 | 175.9 | 176.8 | 0 | 0 | 0 | 0 | 108.4 | E211 M212 F229 W263 L268 | E211-V227 CarbonylContact C-O 3.57Å; E211-V227 VanDerWaalsContact CA-O 3.28Å; E211-V227 WeakPolarHBondContact CA-O 3.31Å; M212-V227 HydrophobicContact CE-CB 4.43Å; M212-V227 HydrophobicContact CE-CG2 4.45Å; M212-V227 PolarHBondContact N-O 3.38Å; M212-V227 PolarHBondContact O-N 3.38Å; V227-F229 HydrophobicContact CB-CE2 4.17Å; V227-F229 HydrophobicContact CG1-CD2 4.24Å; V227-F229 HydrophobicContact CG1-CE2 3.75Å; V227-F229 HydrophobicContact CG1-CZ 4.17Å; V227-W263 HydrophobicContact CG1-CH2 4.09Å; V227-W263 HydrophobicContact CG1-CZ3 3.87Å; V227-W263 HydrophobicContact CG2-CZ3 4.44Å; V227-L268 HydrophobicContact CG2-CB 3.54Å; V227-L268 HydrophobicContact CG2-CD1 4.17Å; V227-L268 WeakPolarHBondContact CG2-O 2.94Å |
| 228 | R | 86.3 | Confident | 85.5 | Confident | 138 Ų | 138 | 74.5 Ų | 74.5 | 52% | 0.521 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 126.5 | 176.2 | -171.5 | 171 | -169.9 | 120.8 | -3.5 | 110.3 | E211 | E211-R228 HydrophobicContact CG-CB 3.91Å; E211-R228 HydrophobicContact CG-CG 3.79Å; E211-R228 WeakPolarHBondContact OE1-CD 3.24Å; E211-R228 IonicContact OE1-CZ 3.65Å; E211-R228 IonicContact OE1-NE 3.9Å; E211-R228 IonicContact OE1-NH1 2.72Å; E211-R228 PolarHBondContact OE1-NH1 3.44Å |
| 229 | F | 84.3 | Confident | 85.8 | Confident | 13 Ų | 13 | 68 Ų | 68 | 6% | 0.057 | 32% | 0.322 | C | S | . | . | trans | -95.8 | 111.6 | 177.7 | -62.3 | -110.9 | 0 | 0 | 0 | 106.7 | S210 M212 V227 E231 I232 L234 I248 W263 | S210-F229 WeakPolarHBondContact CB-O 3.26Å; S210-F229 WeakPolarHBondContact O-CB 3.16Å; S210-F229 WeakPolarHBondContact O-CD2 3.24Å; S210-F229 PolarHBondContact O-N 2.92Å; M212-F229 HydrophobicContact CB-CE2 3.82Å; M212-F229 HydrophobicContact CE-CZ 4.35Å; V227-F229 HydrophobicContact CB-CE2 4.17Å; V227-F229 HydrophobicContact CG1-CD2 4.24Å; V227-F229 HydrophobicContact CG1-CE2 3.75Å; V227-F229 HydrophobicContact CG1-CZ 4.17Å; F229-E231 PolarHBondContact O-N 2.83Å; F229-I232 HydrophobicContact CB-CB 4.34Å; F229-L234 HydrophobicContact CD1-CD1 4.44Å; F229-L234 HydrophobicContact CD1-CD2 4.36Å; F229-L234 HydrophobicContact CD2-CD1 3.78Å; F229-L234 HydrophobicContact CE2-CD1 3.97Å; F229-L234 HydrophobicContact CG-CD1 4.08Å; F229-L234 HydrophobicContact CZ-CD1 4.37Å; F229-I248 HydrophobicContact CE1-CD1 4.11Å; F229-I248 HydrophobicContact CE2-CD1 4.26Å; F229-I248 HydrophobicContact CZ-CD1 3.48Å; F229-I248 VanDerWaalsContact CZ-CD1 3.48Å; F229-W263 HydrophobicContact CD1-CZ2 4.39Å; F229-W263 AromaticContact CE1-CE2 3.82Å; F229-W263 AromaticContact CE1-CH2 3.98Å; F229-W263 HydrophobicContact CE1-CH2 3.98Å; F229-W263 AromaticContact CE1-CZ2 3.32Å; F229-W263 HydrophobicContact CE1-CZ2 3.32Å; F229-W263 HydrophobicContact CZ-CD2 4.41Å; F229-W263 AromaticContact CZ-CE2 3.74Å; F229-W263 AromaticContact CZ-CH2 3.95Å; F229-W263 HydrophobicContact CZ-CH2 3.95Å; F229-W263 AromaticContact CZ-CZ2 3.52Å; F229-W263 HydrophobicContact CZ-CZ2 3.52Å | ||
| 230 | H | 78.2 | Confident | 86.1 | Confident | 145 Ų | 145 | 64.4 Ų | 64.4 | 67% | 0.671 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | 130.6 | 177.5 | -72 | -100 | 0 | 0 | 0 | 109.3 | I232 | H230-I232 PolarHBondContact O-N 2.8Š|
| 231 | E | 74.2 | Confident | 86.2 | Confident | 180 Ų | 180 | 64.9 Ų | 64.9 | 84% | 0.841 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 11.1 | 173.2 | -52.2 | -171.6 | 163.1 | 0 | 0 | 117.3 | F229 H254 | F229-E231 PolarHBondContact O-N 2.83Å; E231-H254 PolarHBondContact O-CE1 3.04Å; E231-H254 PolarHBondContact O-ND1 2.85Å |
| 232 | I | 82.2 | Confident | 86.2 | Confident | 25 Ų | 25 | 61.8 Ų | 61.8 | 13% | 0.128 | 28% | 0.284 | C | S | . | . | trans | -118.7 | 107.7 | -178.2 | -62.1 | 153.1 | 0 | 0 | 0 | 110.1 | S210 F229 H230 L234 P250 H254 H258 | S210-I232 WeakPolarHBondContact CB-O 3.43Å; S210-I232 VanDerWaalsContact OG-C 3.31Å; S210-I232 PolarHBondContact OG-O 2.88Å; F229-I232 HydrophobicContact CB-CB 4.34Å; H230-I232 PolarHBondContact O-N 2.8Å; I232-L234 HydrophobicContact CG2-CD2 3.93Å; I232-P250 HydrophobicContact CG2-CB 4.1Å; I232-H254 HydrophobicContact CG2-CB 4.01Å; I232-H258 HydrophobicContact CD1-CB 4.23Å; I232-H258 HydrophobicContact CG1-CB 4.49Å; I232-H258 HydrophobicContact CG2-CB 4.06Å | ||
| 233 | K | 84.7 | Confident | 86.3 | Confident | 108 Ų | 108 | 55.2 Ų | 55.2 | 47% | 0.47 | 26% | 0.259 | S | S | . | . | trans | -72.6 | 139.4 | 171.5 | -71 | -175.9 | 175.5 | -175.6 | 0 | 111.4 | P250 E251 H254 | K233-P250 WeakPolarHBondContact O-CA 3.22Å; K233-E251 HydrophobicContact CB-CB 3.98Å; K233-E251 WeakPolarHBondContact CD-OE2 3.32Å; K233-E251 PolarHBondContact O-N 3.37Å; K233-H254 PolarHBondContact N-CD2 2.76Å; K233-H254 VanDerWaalsContact N-CD2 3.33Å; K233-H254 PolarHBondContact N-NE2 2.91Å | ||
| 234 | L | 87.4 | Confident | 86.2 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 144.9 | -175.9 | -57.4 | -178.6 | 0 | 0 | 0 | 111.5 | V206 F229 I232 I248 | V206-L234 HydrophobicContact CG1-CB 3.35Å; V206-L234 HydrophobicContact CG1-CD1 3.9Å; V206-L234 HydrophobicContact CG1-CG 4.26Å; V206-L234 HydrophobicContact CG2-CD1 4.19Å; F229-L234 HydrophobicContact CD1-CD1 4.44Å; F229-L234 HydrophobicContact CD1-CD2 4.36Å; F229-L234 HydrophobicContact CD2-CD1 3.78Å; F229-L234 HydrophobicContact CE2-CD1 3.97Å; F229-L234 HydrophobicContact CG-CD1 4.08Å; F229-L234 HydrophobicContact CZ-CD1 4.37Å; I232-L234 HydrophobicContact CG2-CD2 3.93Å; L234-I248 HydrophobicContact CB-CG2 4.43Å; L234-I248 HydrophobicContact CD1-CG2 3.96Å; L234-I248 HydrophobicContact CD2-CG2 3.78Å; L234-I248 HydrophobicContact CG-CG2 4.27Å |
| 235 | K | 88.2 | Confident | 86.2 | Confident | 76 Ų | 76 | 55.3 Ų | 55.3 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | -53.1 | -174.4 | 179.4 | -177 | 173.9 | -169.2 | 0 | 113.7 | L249 Y331 L333 | K235-L249 HydrophobicContact CD-CD2 4.2Å; K235-L249 PolarHBondContact N-O 3.19Å; K235-Y331 VanDerWaalsContact CD-OH 3.25Å; K235-Y331 WeakPolarHBondContact CD-OH 3.28Å; K235-L333 PolarHBondContact NZ-O 3.33Å |
| 236 | K | 90.7 | Very high | 86.4 | Confident | 44 Ų | 44 | 51.5 Ų | 51.5 | 19% | 0.191 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 146 | -172.6 | -158.8 | -178.2 | -173.6 | 176.9 | 0 | 110.8 | D192 L249 D334 M335 | D192-K236 WeakPolarHBondContact OD2-CA 3.38Å; D192-K236 WeakPolarHBondContact OD2-CG 3.3Å; K236-L249 HydrophobicContact CB-CB 4.08Å; K236-L249 HydrophobicContact CB-CD2 4.25Å; K236-L249 PolarHBondContact N-O 2.81Å; K236-L249 PolarHBondContact O-N 3.48Å; K236-D334 IonicContact NZ-OD1 3.26Å; K236-D334 PolarHBondContact NZ-OD1 3.26Å; K236-D334 IonicContact NZ-OD2 2.78Å; K236-M335 PolarHBondContact NZ-O 2.67Å |
| 237 | V | 92.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 131.6 | 175.1 | 66 | 0 | 0 | 0 | 0 | 110.5 | D192 V204 V206 I246 I248 | D192-V237 HydrophobicContact CB-CG1 4.2Å; D192-V237 PolarHBondContact OD2-N 3.32Å; V204-V237 HydrophobicContact CG1-CG1 4.13Å; V204-V237 HydrophobicContact CG1-CG2 3.62Å; V204-V237 HydrophobicContact CG2-CG2 4.28Å; V206-V237 HydrophobicContact CB-CB 4.48Å; V206-V237 HydrophobicContact CB-CG1 4.27Å; V206-V237 HydrophobicContact CG2-CB 3.8Å; V206-V237 HydrophobicContact CG2-CG1 3.98Å; V206-V237 HydrophobicContact CG2-CG2 4.16Å; V237-I246 HydrophobicContact CG2-CG2 3.42Å; V237-I246 VanDerWaalsContact CG2-CG2 3.42Å; V237-I248 HydrophobicContact CG2-CG1 4.4Å |
| 238 | I | 92.6 | Very high | 86.6 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 138.8 | 178.6 | 61.2 | -177 | 0 | 0 | 0 | 110.9 | D194 I246 I247 M335 W337 L385 | D194-I238 WeakPolarHBondContact OD2-CA 3.16Å; I238-I246 CarbonylContact O-C 3.5Å; I238-I246 WeakPolarHBondContact O-CA 3.37Å; I238-I247 HydrophobicContact CD1-CB 4.47Å; I238-I247 HydrophobicContact CG1-CB 3.93Å; I238-I247 PolarHBondContact N-O 3.23Å; I238-I247 PolarHBondContact O-N 3.03Å; I238-M335 HydrophobicContact CD1-CB 4.37Å; I238-M335 HydrophobicContact CD1-CE 4.01Å; I238-M335 HydrophobicContact CG1-CE 4.47Å; I238-W337 HydrophobicContact CD1-CZ2 4.25Å; I238-L385 HydrophobicContact CD1-CD1 3.98Å |
| 239 | Y | 92.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 151.8 | 165.5 | -84.5 | -88.9 | 0 | 0 | 0 | 111 | D194 W195 V204 L214 I246 W337 | D194-Y239 HydrophobicContact CB-CD2 4.12Å; D194-Y239 WeakPolarHBondContact O-CE2 3.38Å; D194-Y239 PolarHBondContact OD2-N 3.2Å; W195-Y239 VanDerWaalsContact O-CD2 3.26Å; W195-Y239 WeakPolarHBondContact O-CD2 3.19Å; V204-Y239 HydrophobicContact CB-CE2 3.94Å; V204-Y239 HydrophobicContact CG1-CD2 4.05Å; V204-Y239 HydrophobicContact CG1-CE2 3.54Å; L214-Y239 WeakPolarHBondContact CD1-OH 3.45Å; Y239-I246 HydrophobicContact CD1-CD1 4.41Å; Y239-I246 HydrophobicContact CD1-CG1 3.78Å; Y239-I246 HydrophobicContact CE1-CD1 3.82Å; Y239-I246 HydrophobicContact CE1-CG1 3.69Å; Y239-I246 HydrophobicContact CG-CG1 4.32Å; Y239-W337 PolarHBondContact O-NE1 3.13Å |
| 240 | T | 89 | Confident | 87 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | trans | -66.9 | 149.9 | 161.4 | 57.7 | 0 | 0 | 0 | 0 | 110.3 | P197 S242 G243 H245 W337 F401 | P197-T240 VanDerWaalsContact CG-O 3.28Å; P197-T240 WeakPolarHBondContact CG-O 3.44Å; T240-S242 PolarHBondContact O-N 2.76Å; T240-S242 VanDerWaalsContact O-N 3.08Å; T240-S242 PolarHBondContact OG1-OG 2.87Å; T240-G243 WeakPolarHBondContact O-CA 3.37Å; T240-G243 PolarHBondContact O-N 3.17Å; T240-G243 PolarHBondContact OG1-N 3.15Å; T240-H245 HydrophobicContact CG2-CB 3.76Å; T240-H245 PolarHBondContact N-O 3Å; T240-H245 PolarHBondContact OG1-N 2.9Å; T240-H245 PolarHBondContact OG1-O 2.79Å; T240-W337 HydrophobicContact CG2-CH2 3.85Å; T240-W337 HydrophobicContact CG2-CZ2 3.89Å; T240-F401 HydrophobicContact CG2-CE1 3.96Å; T240-F401 HydrophobicContact CG2-CZ 4.44Å | ||
| 241 | P | 85 | Confident | 87.4 | Confident | 38 Ų | 38 | 31.8 Ų | 31.8 | 25% | 0.247 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.1 | 175.5 | -27 | 37 | 0 | 0 | 0 | 114.3 | W337 I339 V383 | P241-W337 HydrophobicContact CG-CB 4.15Å; P241-W337 HydrophobicContact CG-CD2 3.77Å; P241-W337 HydrophobicContact CG-CE3 4.04Å; P241-W337 HydrophobicContact CG-CG 3.78Å; P241-I339 HydrophobicContact CB-CD1 4.03Å; P241-I339 HydrophobicContact CG-CD1 4.15Å; P241-I339 HydrophobicContact CG-CG1 4.44Å; P241-V383 HydrophobicContact CB-CG1 4.5Å; P241-V383 HydrophobicContact CB-CG2 4.43Å; P241-V383 HydrophobicContact CG-CG1 3.77Å; P241-V383 HydrophobicContact CG-CG2 4.49Å |
| 242 | S | 81.5 | Confident | 88 | Confident | 31 Ų | 31 | 28.5 Ų | 28.5 | 22% | 0.217 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -31.3 | 170.8 | 71.3 | 0 | 0 | 0 | 0 | 113.1 | Q198 T240 D244 F401 | Q198-S242 WeakPolarHBondContact CG-O 3.48Å; Q198-S242 PolarHBondContact NE2-O 3.27Å; T240-S242 PolarHBondContact O-N 2.76Å; T240-S242 VanDerWaalsContact O-N 3.08Å; T240-S242 PolarHBondContact OG1-OG 2.87Å; S242-D244 WeakPolarHBondContact CB-OD2 3.32Å; S242-D244 PolarHBondContact OG-N 2.79Å; S242-D244 PolarHBondContact OG-OD2 2.88Å; S242-F401 WeakPolarHBondContact OG-CE1 3.44Å |
| 243 | G | 85.3 | Confident | 88 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 93.3 | -13.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | T240 H245 S265 | T240-G243 WeakPolarHBondContact O-CA 3.37Å; T240-G243 PolarHBondContact O-N 3.17Å; T240-G243 PolarHBondContact OG1-N 3.15Å; G243-H245 PolarHBondContact O-N 3.41Å; G243-S265 WeakPolarHBondContact O-CB 3.46Å; G243-S265 PolarHBondContact O-OG 3.22Å |
| 244 | D | 83.6 | Confident | 87.8 | Confident | 63 Ų | 63 | 27.8 Ų | 27.8 | 34% | 0.337 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -71.9 | -18 | -175.1 | -42.1 | -66.4 | 0 | 0 | 0 | 113.7 | Q198 S242 S265 | Q198-D244 PolarHBondContact NE2-OD1 2.79Å; S242-D244 WeakPolarHBondContact CB-OD2 3.32Å; S242-D244 PolarHBondContact OG-N 2.79Å; S242-D244 PolarHBondContact OG-OD2 2.88Å; D244-S265 WeakPolarHBondContact CA-OG 3.25Å; D244-S265 PolarHBondContact O-N 2.87Å; D244-S265 PolarHBondContact O-OG 3.02Å; D244-S265 VanDerWaalsContact O-OG 3.06Å |
| 245 | H | 87.5 | Confident | 87.6 | Confident | 35 Ų | 35 | 29 Ų | 29 | 16% | 0.162 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 160.7 | -173.6 | -40.6 | -57.1 | 0 | 0 | 0 | 112.7 | T240 G243 V262 W263 L274 | T240-H245 HydrophobicContact CG2-CB 3.76Å; T240-H245 PolarHBondContact N-O 3Å; T240-H245 PolarHBondContact OG1-N 2.9Å; T240-H245 PolarHBondContact OG1-O 2.79Å; G243-H245 PolarHBondContact O-N 3.41Å; H245-V262 HydrophobicContact CB-CG1 4.06Å; H245-W263 CarbonylContact C-O 3.55Å; H245-W263 WeakPolarHBondContact CA-O 3.31Å; H245-W263 WeakPolarHBondContact CB-O 3.46Å; H245-L274 HydrophobicContact CB-CD1 4.02Å; H245-L274 WeakPolarHBondContact CD2-CD1 3.49Å; H245-L274 VanDerWaalsContact CG-CD1 3.42Å |
| 246 | I | 91 | Very high | 86.8 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 132 | -179.1 | -57.3 | 174.7 | 0 | 0 | 0 | 107.6 | V204 M212 V237 I238 Y239 I248 V262 W263 L268 | V204-I246 HydrophobicContact CB-CD1 4.16Å; V204-I246 HydrophobicContact CG1-CD1 4.36Å; V204-I246 HydrophobicContact CG1-CG2 4.33Å; V204-I246 HydrophobicContact CG2-CD1 4.08Å; M212-I246 HydrophobicContact SD-CD1 4.45Å; M212-I246 HydrophobicContact SD-CG2 4.11Å; V237-I246 HydrophobicContact CG2-CG2 3.42Å; V237-I246 VanDerWaalsContact CG2-CG2 3.42Å; I238-I246 CarbonylContact O-C 3.5Å; I238-I246 WeakPolarHBondContact O-CA 3.37Å; Y239-I246 HydrophobicContact CD1-CD1 4.41Å; Y239-I246 HydrophobicContact CD1-CG1 3.78Å; Y239-I246 HydrophobicContact CE1-CD1 3.82Å; Y239-I246 HydrophobicContact CE1-CG1 3.69Å; Y239-I246 HydrophobicContact CG-CG1 4.32Å; I246-I248 HydrophobicContact CG2-CG1 4.42Å; I246-V262 WeakPolarHBondContact O-CA 3.47Å; I246-W263 PolarHBondContact N-O 2.87Å; I246-W263 PolarHBondContact O-N 2.86Å; I246-L268 HydrophobicContact CD1-CD2 3.88Å |
| 247 | I | 90.4 | Very high | 86 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.7 | 177 | -55.4 | -168.7 | 0 | 0 | 0 | 109 | I238 I260 V262 M335 W337 L385 I399 | I238-I247 HydrophobicContact CD1-CB 4.47Å; I238-I247 HydrophobicContact CG1-CB 3.93Å; I238-I247 PolarHBondContact N-O 3.23Å; I238-I247 PolarHBondContact O-N 3.03Å; I247-I260 HydrophobicContact CG2-CG2 3.49Å; I247-I260 VanDerWaalsContact CG2-CG2 3.49Å; I247-V262 HydrophobicContact CD1-CG2 4.43Å; I247-V262 HydrophobicContact CG1-CG1 4.14Å; I247-V262 HydrophobicContact CG1-CG2 4.18Å; I247-M335 HydrophobicContact CG2-CE 3.98Å; I247-W337 HydrophobicContact CD1-CH2 3.53Å; I247-W337 HydrophobicContact CD1-CZ2 3.66Å; I247-W337 HydrophobicContact CG1-CZ2 4.28Å; I247-L385 HydrophobicContact CD1-CD1 4.42Å; I247-L385 HydrophobicContact CD1-CD2 4.05Å; I247-I399 HydrophobicContact CD1-CD1 4.11Å |
| 248 | I | 91.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 131.8 | -177.3 | -46.8 | 177.8 | 0 | 0 | 0 | 110.1 | M212 F229 L234 V237 I246 S261 W263 | M212-I248 HydrophobicContact CE-CD1 3.81Å; M212-I248 HydrophobicContact SD-CD1 3.55Å; M212-I248 VanDerWaalsContact SD-CD1 3.55Å; M212-I248 HydrophobicContact SD-CG1 4.28Å; F229-I248 HydrophobicContact CE1-CD1 4.11Å; F229-I248 HydrophobicContact CE2-CD1 4.26Å; F229-I248 HydrophobicContact CZ-CD1 3.48Å; F229-I248 VanDerWaalsContact CZ-CD1 3.48Å; L234-I248 HydrophobicContact CB-CG2 4.43Å; L234-I248 HydrophobicContact CD1-CG2 3.96Å; L234-I248 HydrophobicContact CD2-CG2 3.78Å; L234-I248 HydrophobicContact CG-CG2 4.27Å; V237-I248 HydrophobicContact CG2-CG1 4.4Å; I246-I248 HydrophobicContact CG2-CG1 4.42Å; I248-S261 PolarHBondContact N-O 3.25Å; I248-S261 PolarHBondContact O-N 3.05Å; I248-W263 VanDerWaalsContact CD1-CD1 3.47Å; I248-W263 HydrophobicContact CD1-CD2 4.44Å; I248-W263 HydrophobicContact CD1-CG 4.12Å |
| 249 | L | 90 | Very high | 84.7 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.9 | 174.2 | -177.2 | 70 | 0 | 0 | 0 | 110 | K235 K236 W255 I260 I332 M335 | K235-L249 HydrophobicContact CD-CD2 4.2Å; K235-L249 PolarHBondContact N-O 3.19Å; K236-L249 HydrophobicContact CB-CB 4.08Å; K236-L249 HydrophobicContact CB-CD2 4.25Å; K236-L249 PolarHBondContact N-O 2.81Å; K236-L249 PolarHBondContact O-N 3.48Å; L249-W255 HydrophobicContact CD1-CE3 4.44Å; L249-W255 HydrophobicContact CD1-CZ3 3.97Å; L249-I260 HydrophobicContact CD1-CG1 4.23Å; L249-I332 HydrophobicContact CD1-CB 3.98Å; L249-I332 HydrophobicContact CD1-CG2 3.98Å; L249-I332 HydrophobicContact CD2-CG2 4.46Å; L249-M335 HydrophobicContact CB-CE 3.8Å; L249-M335 HydrophobicContact CB-SD 4.44Å; L249-M335 HydrophobicContact CD1-SD 4.29Å |
| 250 | P | 90.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 168.5 | 174.3 | 32 | -36.8 | 0 | 0 | 0 | 112.5 | I232 K233 H254 W255 H258 G259 | I232-P250 HydrophobicContact CG2-CB 4.1Å; K233-P250 WeakPolarHBondContact O-CA 3.22Å; P250-H254 HydrophobicContact CB-CB 4.31Å; P250-W255 HydrophobicContact CG-CE3 4.17Å; P250-H258 HydrophobicContact CG-CB 4.38Å; P250-G259 WeakPolarHBondContact CD-O 3.47Å; P250-G259 VanDerWaalsContact CG-O 3.23Å; P250-G259 WeakPolarHBondContact CG-O 3.44Å |
| 251 | E | 86.8 | Confident | 84.1 | Confident | 49 Ų | 49 | 33.3 Ų | 33.3 | 23% | 0.229 | 19% | 0.189 | C | C | . | . | trans | -71.9 | 152.2 | 167.4 | -170.8 | 160.1 | -108.3 | 0 | 0 | 110.8 | R191 K233 S253 H254 W255 | R191-E251 IonicContact NH2-OE1 2.68Å; R191-E251 PolarHBondContact NH2-OE1 2.97Å; K233-E251 HydrophobicContact CB-CB 3.98Å; K233-E251 WeakPolarHBondContact CD-OE2 3.32Å; K233-E251 PolarHBondContact O-N 3.37Å; E251-S253 PolarHBondContact O-N 2.91Å; E251-H254 PolarHBondContact O-N 2.89Å; E251-W255 PolarHBondContact O-N 2.84Å | ||
| 252 | Q | 85.4 | Confident | 84.1 | Confident | 110 Ų | 110 | 31.9 Ų | 31.9 | 51% | 0.514 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -53.8 | -33.4 | -170.8 | -171.8 | 172.3 | -1.4 | 0 | 0 | 114 | H254 W255 Y331 | Q252-H254 PolarHBondContact O-N 3.33Å; Q252-W255 WeakPolarHBondContact O-CB 3.2Å; Q252-W255 PolarHBondContact O-N 2.83Å; Q252-Y331 HydrophobicContact CB-CD1 3.84Å; Q252-Y331 HydrophobicContact CB-CD2 4.3Å; Q252-Y331 HydrophobicContact CB-CE1 3.58Å; Q252-Y331 HydrophobicContact CB-CE2 4.08Å; Q252-Y331 HydrophobicContact CB-CG 4.17Å; Q252-Y331 HydrophobicContact CG-CD1 3.58Å; Q252-Y331 HydrophobicContact CG-CD2 4.33Å; Q252-Y331 HydrophobicContact CG-CE1 3.88Å; Q252-Y331 HydrophobicContact CG-CG 3.8Å; Q252-Y331 PolarHBondContact N-OH 2.88Å |
| 253 | S | 82.3 | Confident | 84.4 | Confident | 79 Ų | 79 | 31.4 Ų | 31.4 | 55% | 0.552 | 17% | 0.173 | S | C | * | . | G | 310 helix | trans | -63.2 | -21.5 | 176.9 | 47.9 | 0 | 0 | 0 | 0 | 114.5 | E251 | E251-S253 PolarHBondContact O-N 2.91Š|
| 254 | H | 81.8 | Confident | 84.5 | Confident | 39 Ų | 39 | 32.6 Ų | 32.6 | 18% | 0.181 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -114.2 | 2.5 | -179.1 | -50.9 | -83.3 | 0 | 0 | 0 | 112.7 | E231 I232 K233 P250 E251 Q252 S256 V257 H258 | E231-H254 PolarHBondContact O-CE1 3.04Å; E231-H254 PolarHBondContact O-ND1 2.85Å; I232-H254 HydrophobicContact CG2-CB 4.01Å; K233-H254 PolarHBondContact N-CD2 2.76Å; K233-H254 VanDerWaalsContact N-CD2 3.33Å; K233-H254 PolarHBondContact N-NE2 2.91Å; P250-H254 HydrophobicContact CB-CB 4.31Å; E251-H254 PolarHBondContact O-N 2.89Å; Q252-H254 PolarHBondContact O-N 3.33Å; H254-S256 VanDerWaalsContact C-N 3.35Å; H254-S256 PolarHBondContact O-N 2.91Å; H254-V257 PolarHBondContact O-N 3.4Å; H254-V257 VanDerWaalsContact O-N 3.12Å; H254-H258 PolarHBondContact O-N 3.11Å; H254-H258 VanDerWaalsContact O-N 3.1Å |
| 255 | W | 81.5 | Confident | 84.6 | Confident | 28 Ų | 28 | 30.2 Ų | 30.2 | 11% | 0.106 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -52.3 | -52.1 | -179.8 | 174.6 | -109.7 | 0 | 0 | 0 | 111.9 | L249 P250 E251 Q252 V257 H258 G259 I260 P325 D329 S330 Y331 I332 | L249-W255 HydrophobicContact CD1-CE3 4.44Å; L249-W255 HydrophobicContact CD1-CZ3 3.97Å; P250-W255 HydrophobicContact CG-CE3 4.17Å; E251-W255 PolarHBondContact O-N 2.84Å; Q252-W255 WeakPolarHBondContact O-CB 3.2Å; Q252-W255 PolarHBondContact O-N 2.83Å; W255-V257 PolarHBondContact O-N 2.79Å; W255-V257 VanDerWaalsContact O-N 3.09Å; W255-H258 PolarHBondContact O-N 3.21Å; W255-G259 PolarHBondContact O-N 3Å; W255-I260 HydrophobicContact CH2-CG1 4.14Å; W255-I260 HydrophobicContact CZ3-CG1 4.02Å; W255-P325 WeakPolarHBondContact O-CG 3.48Å; W255-D329 PolarHBondContact NE1-O 2.83Å; W255-S330 VanDerWaalsContact CZ2-O 3.26Å; W255-S330 WeakPolarHBondContact CZ2-O 3.45Å; W255-S330 PolarHBondContact NE1-O 3.32Å; W255-Y331 HydrophobicContact CB-CD2 3.74Å; W255-Y331 HydrophobicContact CB-CE2 4.46Å; W255-Y331 HydrophobicContact CB-CG 4.47Å; W255-Y331 AromaticContact CD2-CD2 3.79Å; W255-Y331 HydrophobicContact CD2-CD2 3.79Å; W255-Y331 AromaticContact CE3-CD2 3.82Å; W255-Y331 HydrophobicContact CE3-CD2 3.82Å; W255-Y331 HydrophobicContact CE3-CE2 4.39Å; W255-Y331 AromaticContact CG-CD2 3.73Å; W255-Y331 HydrophobicContact CG-CD2 3.73Å; W255-Y331 HydrophobicContact CG-CG 4.34Å; W255-I332 HydrophobicContact CH2-CB 4.25Å; W255-I332 HydrophobicContact CH2-CD1 3.82Å; W255-I332 HydrophobicContact CH2-CG1 4.04Å; W255-I332 HydrophobicContact CZ2-CD1 4.48Å; W255-I332 HydrophobicContact CZ2-CG1 4.45Å; W255-I332 HydrophobicContact CZ3-CB 4.36Å |
| 256 | S | 72.7 | Confident | 84.3 | Confident | 87 Ų | 87 | 31.6 Ų | 31.6 | 61% | 0.608 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -60.3 | -17.5 | -178.7 | 49.8 | 0 | 0 | 0 | 0 | 115 | H254 | H254-S256 VanDerWaalsContact C-N 3.35Å; H254-S256 PolarHBondContact O-N 2.91Å |
| 257 | V | 73.1 | Confident | 83.6 | Confident | 84 Ų | 84 | 36.2 Ų | 36.2 | 51% | 0.509 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -99.1 | -43.4 | -178.6 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | H254 W255 | H254-V257 PolarHBondContact O-N 3.4Å; H254-V257 VanDerWaalsContact O-N 3.12Å; W255-V257 PolarHBondContact O-N 2.79Å; W255-V257 VanDerWaalsContact O-N 3.09Å |
| 258 | H | 76.8 | Confident | 83.3 | Confident | 21 Ų | 21 | 36.5 Ų | 36.5 | 10% | 0.097 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -111 | -26.5 | -166.1 | -166.9 | 74.3 | 0 | 0 | 0 | 114.8 | I232 P250 H254 W255 S261 | I232-H258 HydrophobicContact CD1-CB 4.23Å; I232-H258 HydrophobicContact CG1-CB 4.49Å; I232-H258 HydrophobicContact CG2-CB 4.06Å; P250-H258 HydrophobicContact CG-CB 4.38Å; H254-H258 PolarHBondContact O-N 3.11Å; H254-H258 VanDerWaalsContact O-N 3.1Å; W255-H258 PolarHBondContact O-N 3.21Å; H258-S261 VanDerWaalsContact NE2-CB 3.26Å; H258-S261 WeakPolarHBondContact NE2-CB 3.45Å; H258-S261 PolarHBondContact NE2-OG 2.94Å |
| 259 | G | 81.4 | Confident | 82.8 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | trans | 56.4 | -155.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P250 W255 | P250-G259 WeakPolarHBondContact CD-O 3.47Å; P250-G259 VanDerWaalsContact CG-O 3.23Å; P250-G259 WeakPolarHBondContact CG-O 3.44Å; W255-G259 PolarHBondContact O-N 3Å | ||
| 260 | I | 84.9 | Confident | 82.2 | Confident | 30 Ų | 30 | 43.6 Ų | 43.6 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -78.2 | 135.2 | 162.8 | -71.4 | 175.2 | 0 | 0 | 0 | 108.4 | I247 L249 W255 I332 M335 L385 T387 | I247-I260 HydrophobicContact CG2-CG2 3.49Å; I247-I260 VanDerWaalsContact CG2-CG2 3.49Å; L249-I260 HydrophobicContact CD1-CG1 4.23Å; W255-I260 HydrophobicContact CH2-CG1 4.14Å; W255-I260 HydrophobicContact CZ3-CG1 4.02Å; I260-I332 HydrophobicContact CD1-CD1 3.46Å; I260-I332 VanDerWaalsContact CD1-CD1 3.46Å; I260-I332 HydrophobicContact CG1-CD1 4.27Å; I260-M335 HydrophobicContact CD1-SD 3.44Å; I260-M335 WeakPolarHBondContact CD1-SD 3.24Å; I260-M335 HydrophobicContact CG1-SD 4.03Å; I260-L385 HydrophobicContact CD1-CD2 4.48Å; I260-T387 HydrophobicContact CD1-CG2 4.39Å |
| 261 | S | 83.7 | Confident | 80.9 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 145.3 | 172.8 | 63.6 | 0 | 0 | 0 | 0 | 111.7 | I248 H258 W263 | I248-S261 PolarHBondContact N-O 3.25Å; I248-S261 PolarHBondContact O-N 3.05Å; H258-S261 VanDerWaalsContact NE2-CB 3.26Å; H258-S261 WeakPolarHBondContact NE2-CB 3.45Å; H258-S261 PolarHBondContact NE2-OG 2.94Å; S261-W263 PolarHBondContact OG-NE1 2.88Å |
| 262 | V | 85.4 | Confident | 79.5 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 138.5 | -179.8 | -167 | 0 | 0 | 0 | 0 | 109.6 | H245 I246 I247 S271 L274 F275 | H245-V262 HydrophobicContact CB-CG1 4.06Å; I246-V262 WeakPolarHBondContact O-CA 3.47Å; I247-V262 HydrophobicContact CD1-CG2 4.43Å; I247-V262 HydrophobicContact CG1-CG1 4.14Å; I247-V262 HydrophobicContact CG1-CG2 4.18Å; V262-S271 PolarHBondContact O-N 3.49Å; V262-S271 PolarHBondContact O-OG 3.4Å; V262-L274 HydrophobicContact CB-CD1 4.43Å; V262-L274 HydrophobicContact CG1-CD1 3.48Å; V262-L274 VanDerWaalsContact CG1-CD1 3.48Å; V262-F275 HydrophobicContact CG2-CD2 4.19Å; V262-F275 HydrophobicContact CG2-CE2 3.57Å; V262-F275 HydrophobicContact CG2-CZ 4.41Å |
| 263 | W | 88.5 | Confident | 77.6 | Confident | 21 Ų | 21 | 48.9 Ų | 48.9 | 8% | 0.08 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 139.1 | -168.3 | -63.2 | 76.6 | 0 | 0 | 0 | 109.9 | M212 V227 F229 H245 I246 I248 S261 S265 L268 T269 Q270 S271 | M212-W263 HydrophobicContact CE-CB 4.29Å; M212-W263 HydrophobicContact CE-CD2 4.03Å; M212-W263 HydrophobicContact CE-CE3 4.09Å; M212-W263 HydrophobicContact CE-CG 4.07Å; V227-W263 HydrophobicContact CG1-CH2 4.09Å; V227-W263 HydrophobicContact CG1-CZ3 3.87Å; V227-W263 HydrophobicContact CG2-CZ3 4.44Å; F229-W263 HydrophobicContact CD1-CZ2 4.39Å; F229-W263 AromaticContact CE1-CE2 3.82Å; F229-W263 AromaticContact CE1-CH2 3.98Å; F229-W263 HydrophobicContact CE1-CH2 3.98Å; F229-W263 AromaticContact CE1-CZ2 3.32Å; F229-W263 HydrophobicContact CE1-CZ2 3.32Å; F229-W263 HydrophobicContact CZ-CD2 4.41Å; F229-W263 AromaticContact CZ-CE2 3.74Å; F229-W263 AromaticContact CZ-CH2 3.95Å; F229-W263 HydrophobicContact CZ-CH2 3.95Å; F229-W263 AromaticContact CZ-CZ2 3.52Å; F229-W263 HydrophobicContact CZ-CZ2 3.52Å; H245-W263 CarbonylContact C-O 3.55Å; H245-W263 WeakPolarHBondContact CA-O 3.31Å; H245-W263 WeakPolarHBondContact CB-O 3.46Å; I246-W263 PolarHBondContact N-O 2.87Å; I246-W263 PolarHBondContact O-N 2.86Å; I248-W263 VanDerWaalsContact CD1-CD1 3.47Å; I248-W263 HydrophobicContact CD1-CD2 4.44Å; I248-W263 HydrophobicContact CD1-CG 4.12Å; S261-W263 PolarHBondContact OG-NE1 2.88Å; W263-S265 PolarHBondContact O-N 2.8Å; W263-L268 VanDerWaalsContact CE3-O 3.24Å; W263-L268 WeakPolarHBondContact CZ3-O 3.34Å; W263-T269 CarbonylContact C-O 3.57Å; W263-T269 WeakPolarHBondContact CA-O 3.43Å; W263-Q270 HydrophobicContact CD2-CB 4.24Å; W263-Q270 HydrophobicContact CE3-CB 4.13Å; W263-Q270 VanDerWaalsContact CE3-N 3.34Å; W263-Q270 HydrophobicContact CH2-CB 3.92Å; W263-Q270 HydrophobicContact CZ2-CB 4.03Å; W263-Q270 HydrophobicContact CZ2-CG 4.31Å; W263-Q270 HydrophobicContact CZ3-CB 3.98Å; W263-S271 PolarHBondContact N-OG 3.48Å |
| 264 | S | 86.3 | Confident | 76.1 | Confident | 24 Ų | 24 | 46 Ų | 46 | 17% | 0.168 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 128.1 | 167.9 | 172.3 | 0 | 0 | 0 | 0 | 109.8 | A266 L268 T269 | S264-A266 PolarHBondContact OG-N 3.34Å; S264-L268 WeakPolarHBondContact O-CA 3.33Å; S264-L268 PolarHBondContact O-N 3.33Å; S264-T269 PolarHBondContact N-O 3.13Å |
| 265 | S | 85.2 | Confident | 74.3 | Confident | 13 Ų | 13 | 47.6 Ų | 47.6 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -41.8 | 175.5 | 61.3 | 0 | 0 | 0 | 0 | 111.5 | G243 D244 W263 N267 | G243-S265 WeakPolarHBondContact O-CB 3.46Å; G243-S265 PolarHBondContact O-OG 3.22Å; D244-S265 WeakPolarHBondContact CA-OG 3.25Å; D244-S265 PolarHBondContact O-N 2.87Å; D244-S265 PolarHBondContact O-OG 3.02Å; D244-S265 VanDerWaalsContact O-OG 3.06Å; W263-S265 PolarHBondContact O-N 2.8Å; S265-N267 VanDerWaalsContact C-N 3.33Å; S265-N267 PolarHBondContact O-N 3.19Å |
| 266 | A | 80.8 | Confident | 72.1 | Confident | 64 Ų | 64 | 52.9 Ų | 52.9 | 53% | 0.529 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -40.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K225 S264 | K225-A266 PolarHBondContact NZ-O 3.36Å; S264-A266 PolarHBondContact OG-N 3.34Å |
| 267 | N | 77.8 | Confident | 70.1 | Confident | 98 Ų | 98 | 53.6 Ų | 53.6 | 52% | 0.524 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | -9.8 | -174.5 | -80.1 | -29 | 0 | 0 | 0 | 116 | K225 S265 T269 | K225-N267 PolarHBondContact NZ-OD1 2.88Å; S265-N267 VanDerWaalsContact C-N 3.33Å; S265-N267 PolarHBondContact O-N 3.19Å; N267-T269 HydrophobicContact CB-CG2 4.01Å; N267-T269 PolarHBondContact O-N 3.02Å |
| 268 | L | 83.7 | Confident | 67.9 | Low | 6 Ų | 6 | 56.6 Ų | 56.6 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | trans | 50.1 | 37.6 | -166.8 | -50.9 | -172.5 | 0 | 0 | 0 | 112.6 | M212 L214 K225 V227 I246 W263 S264 | M212-L268 HydrophobicContact CE-CB 4.19Å; M212-L268 HydrophobicContact CE-CD1 4.35Å; M212-L268 HydrophobicContact CE-CD2 3.99Å; M212-L268 HydrophobicContact CE-CG 4.41Å; M212-L268 HydrophobicContact SD-CD2 4.41Å; L214-L268 HydrophobicContact CB-CD1 4.03Å; K225-L268 HydrophobicContact CB-CD1 3.58Å; K225-L268 HydrophobicContact CB-CG 3.96Å; V227-L268 HydrophobicContact CG2-CB 3.54Å; V227-L268 HydrophobicContact CG2-CD1 4.17Å; V227-L268 WeakPolarHBondContact CG2-O 2.94Å; I246-L268 HydrophobicContact CD1-CD2 3.88Å; W263-L268 VanDerWaalsContact CE3-O 3.24Å; W263-L268 WeakPolarHBondContact CZ3-O 3.34Å; S264-L268 WeakPolarHBondContact O-CA 3.33Å; S264-L268 PolarHBondContact O-N 3.33Å | ||
| 269 | T | 81 | Confident | 65.4 | Low | 76 Ų | 76 | 62.6 Ų | 62.6 | 47% | 0.466 | 33% | 0.333 | S | S | . | . | trans | -96.2 | 136.2 | 170.4 | 48.1 | 0 | 0 | 0 | 0 | 109.7 | W263 S264 N267 S271 | W263-T269 CarbonylContact C-O 3.57Å; W263-T269 WeakPolarHBondContact CA-O 3.43Å; S264-T269 PolarHBondContact N-O 3.13Å; N267-T269 HydrophobicContact CB-CG2 4.01Å; N267-T269 PolarHBondContact O-N 3.02Å; T269-S271 PolarHBondContact O-N 3.22Å | ||
| 270 | Q | 76.7 | Confident | 62.9 | Low | 73 Ų | 73 | 66.7 Ų | 66.7 | 34% | 0.341 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -58.9 | 129.1 | 174.6 | -173.2 | 167.7 | -11.8 | 0 | 0 | 109.9 | W263 | W263-Q270 HydrophobicContact CD2-CB 4.24Å; W263-Q270 HydrophobicContact CE3-CB 4.13Å; W263-Q270 VanDerWaalsContact CE3-N 3.34Å; W263-Q270 HydrophobicContact CH2-CB 3.92Å; W263-Q270 HydrophobicContact CZ2-CB 4.03Å; W263-Q270 HydrophobicContact CZ2-CG 4.31Å; W263-Q270 HydrophobicContact CZ3-CB 3.98Å |
| 271 | S | 63.5 | Low | 60.1 | Low | 22 Ų | 22 | 72.3 Ų | 72.3 | 15% | 0.154 | 39% | 0.387 | C | S | . | . | trans | -115.3 | 114.2 | -171.4 | 56.5 | 0 | 0 | 0 | 0 | 110.4 | V262 W263 T269 | V262-S271 PolarHBondContact O-N 3.49Å; V262-S271 PolarHBondContact O-OG 3.4Å; W263-S271 PolarHBondContact N-OG 3.48Å; T269-S271 PolarHBondContact O-N 3.22Å | ||
| 272 | H | 56.5 | Low | 57.5 | Low | 126 Ų | 126 | 78.8 Ų | 78.8 | 58% | 0.583 | 42% | 0.421 | S | S | * | . | trans | -84.8 | -21.7 | -174.5 | -63.1 | -97.8 | 0 | 0 | 0 | 113.3 | L274 | H272-L274 VanDerWaalsContact C-N 3.29Å; H272-L274 PolarHBondContact O-N 2.84Å; H272-L274 VanDerWaalsContact O-N 3.16Å | ||
| 273 | D | 46.9 | Very low | 54.7 | Low | 122 Ų | 122 | 85.4 Ų | 85.4 | 65% | 0.652 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -71.4 | -10.4 | -166.4 | -63 | -59 | 0 | 0 | 0 | 116.8 | ||
| 274 | L | 49.8 | Very low | 52 | Low | 19 Ų | 19 | 89.2 Ų | 89.2 | 10% | 0.099 | 49% | 0.486 | C | S | . | . | G | 310 helix | trans | -87.5 | -17.4 | -170.3 | -73.7 | 149.9 | 0 | 0 | 0 | 114.5 | H245 V262 H272 I399 F401 | H245-L274 HydrophobicContact CB-CD1 4.02Å; H245-L274 WeakPolarHBondContact CD2-CD1 3.49Å; H245-L274 VanDerWaalsContact CG-CD1 3.42Å; V262-L274 HydrophobicContact CB-CD1 4.43Å; V262-L274 HydrophobicContact CG1-CD1 3.48Å; V262-L274 VanDerWaalsContact CG1-CD1 3.48Å; H272-L274 VanDerWaalsContact C-N 3.29Å; H272-L274 PolarHBondContact O-N 2.84Å; H272-L274 VanDerWaalsContact O-N 3.16Å; L274-I399 HydrophobicContact CD2-CG2 4.11Å; L274-F401 HydrophobicContact CD2-CD1 4.32Å |
| 275 | F | 45 | Very low | 49.3 | Very low | 72 Ų | 72 | 95.6 Ų | 95.6 | 32% | 0.316 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -111 | 50.7 | 174.8 | -71.7 | -60 | 0 | 0 | 0 | 111.2 | V262 V277 I399 | V262-F275 HydrophobicContact CG2-CD2 4.19Å; V262-F275 HydrophobicContact CG2-CE2 3.57Å; V262-F275 HydrophobicContact CG2-CZ 4.41Å; F275-V277 VanDerWaalsContact C-N 3.33Å; F275-V277 PolarHBondContact O-N 3.29Å; F275-I399 HydrophobicContact CE1-CD1 4.48Å |
| 276 | Q | 33.8 | Very low | 46.8 | Very low | 138 Ų | 138 | 101.7 Ų | 101.7 | 65% | 0.645 | 56% | 0.555 | S | S | * | * | trans | -69.5 | 90.9 | 171.9 | -169.5 | 165.4 | 16.4 | 0 | 0 | 110 | I278 | Q276-I278 PolarHBondContact O-N 3.4Š| ||
| 277 | V | 30.7 | Very low | 44.4 | Very low | 103 Ų | 103 | 105.4 Ų | 105.4 | 62% | 0.624 | 57% | 0.566 | S | S | * | * | trans | -61.2 | 122.1 | 173.2 | 178.7 | 0 | 0 | 0 | 0 | 108.7 | F275 E279 | F275-V277 VanDerWaalsContact C-N 3.33Å; F275-V277 PolarHBondContact O-N 3.29Å; V277-E279 PolarHBondContact O-N 2.82Å | ||
| 278 | I | 27.5 | Very low | 42.2 | Very low | 146 Ų | 146 | 107.7 Ų | 107.7 | 75% | 0.749 | 58% | 0.578 | S | S | * | * | trans | -77.3 | 103.8 | 176.1 | -57.7 | 175.4 | 0 | 0 | 0 | 108.3 | Q276 S280 | Q276-I278 PolarHBondContact O-N 3.4Å; I278-S280 PolarHBondContact O-N 3.4Å | ||
| 279 | E | 25.2 | Very low | 39.8 | Very low | 148 Ų | 148 | 113 Ų | 113 | 69% | 0.692 | 62% | 0.616 | S | S | * | * | trans | -81.6 | 100 | 164.6 | -65 | -166 | 145.1 | 0 | 0 | 109.1 | V277 H281 | V277-E279 PolarHBondContact O-N 2.82Å; E279-H281 PolarHBondContact O-N 3.42Å; E279-H281 VanDerWaalsContact O-N 3.1Å | ||
| 280 | S | 27.2 | Very low | 37.2 | Very low | 89 Ų | 89 | 113 Ų | 113 | 62% | 0.622 | 63% | 0.63 | S | S | * | * | trans | -74.9 | 93.5 | 174 | 52.5 | 0 | 0 | 0 | 0 | 110.3 | I278 D282 | I278-S280 PolarHBondContact O-N 3.4Å; S280-D282 PolarHBondContact O-N 3.34Å | ||
| 281 | H | 26.3 | Very low | 35 | Very low | 148 Ų | 148 | 117.6 Ų | 117.6 | 69% | 0.685 | 66% | 0.656 | S | S | * | * | trans | -72.7 | 67.4 | 175.6 | -77.2 | -51 | 0 | 0 | 0 | 113.1 | E279 N283 | E279-H281 PolarHBondContact O-N 3.42Å; E279-H281 VanDerWaalsContact O-N 3.1Å; H281-N283 PolarHBondContact O-N 3.47Å | ||
| 282 | D | 28.8 | Very low | 33.3 | Very low | 139 Ų | 139 | 122.4 Ų | 122.4 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | trans | -76.9 | 64.7 | 171.1 | -71.1 | -31.4 | 0 | 0 | 0 | 111.6 | S280 S284 | S280-D282 PolarHBondContact O-N 3.34Å; D282-S284 PolarHBondContact O-N 3.39Å | ||
| 283 | N | 27.4 | Very low | 32.1 | Very low | 147 Ų | 147 | 122.2 Ų | 122.2 | 79% | 0.786 | 69% | 0.692 | S | S | * | * | trans | -75.4 | 68.4 | 171.7 | -86.2 | -29.6 | 0 | 0 | 0 | 111.1 | H281 | H281-N283 PolarHBondContact O-N 3.47Š| ||
| 284 | S | 32.8 | Very low | 31.3 | Very low | 100 Ų | 100 | 123.5 Ų | 123.5 | 70% | 0.699 | 70% | 0.698 | S | S | * | * | trans | -113.2 | 113 | 169.7 | 60.1 | 0 | 0 | 0 | 0 | 111.4 | D282 T286 | D282-S284 PolarHBondContact O-N 3.39Å; S284-T286 PolarHBondContact O-N 3.38Å | ||
| 285 | N | 28.2 | Very low | 30.2 | Very low | 158 Ų | 158 | 132 Ų | 132 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | trans | -74.8 | 119.6 | -176.9 | -57.5 | -74.2 | 0 | 0 | 0 | 112.6 | ||||
| 286 | T | 33.6 | Very low | 29.6 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 87% | 0.865 | 76% | 0.761 | S | S | * | * | trans | -146.9 | 123.6 | 151.3 | 36.5 | 0 | 0 | 0 | 0 | 113.2 | S284 | S284-T286 PolarHBondContact O-N 3.38Š| ||
| 287 | N | 30.2 | Very low | 29.5 | Very low | 143 Ų | 143 | 133 Ų | 133 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | trans | -59.8 | 164.6 | -174.4 | -52.3 | -45.2 | 0 | 0 | 0 | 117.7 | ||||
| 288 | N | 30.8 | Very low | 29.6 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | 94.3 | 139.8 | 146.9 | -62.5 | -24.8 | 0 | 0 | 0 | 120.7 | ||||
| 289 | S | 33 | Very low | 29.8 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | 49.4 | 116 | 167.9 | 49.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 290 | G | 26.7 | Very low | 30.1 | Very low | 74 Ų | 74 | 131.6 Ų | 131.6 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | cis | 103.8 | 111.8 | 7.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 291 | I | 31.2 | Very low | 30.2 | Very low | 171 Ų | 171 | 136 Ų | 136 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -158.5 | 142.7 | 150.2 | -100.9 | 152.4 | 0 | 0 | 0 | 107.1 | ||||
| 292 | T | 28.5 | Very low | 30.6 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -76.8 | 163.8 | 179.6 | 47.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 293 | V | 31 | Very low | 30.7 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | -164.8 | 131.5 | 98.7 | 140.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 294 | N | 30.2 | Very low | 31 | Very low | 149 Ų | 149 | 134 Ų | 134 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | 53.5 | 120.7 | 153.8 | -58.6 | -3 | 0 | 0 | 0 | 122.7 | ||||
| 295 | K | 26.9 | Very low | 31 | Very low | 199 Ų | 199 | 135.4 Ų | 135.4 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -98.4 | 151.8 | 153.7 | -62.6 | 175.4 | 177.2 | 178.4 | 0 | 110.1 | ||||
| 296 | T | 32.2 | Very low | 31.3 | Very low | 141 Ų | 141 | 135 Ų | 135 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | -143.2 | 129.3 | 141.3 | 46.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 297 | S | 30.1 | Very low | 31.4 | Very low | 89 Ų | 89 | 134.6 Ų | 134.6 | 62% | 0.622 | 79% | 0.787 | S | S | * | * | cis | 106.2 | 85.2 | 10.3 | 82 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 298 | T | 33.9 | Very low | 31.7 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | -153.6 | 163 | 151.6 | 45.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 299 | N | 30.7 | Very low | 31.8 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | -164.4 | 149.8 | -72.7 | -106.1 | 1.7 | 0 | 0 | 0 | 109.6 | |||||
| 300 | G | 32 | Very low | 31.7 | Very low | 65 Ų | 65 | 132.9 Ų | 132.9 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | 120.7 | 99.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 301 | M | 29.4 | Very low | 32 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 89% | 0.892 | 79% | 0.788 | S | S | * | * | 66.8 | 132.9 | 72 | -59.7 | 177.6 | 71.1 | 0 | 0 | 112.1 | |||||
| 302 | V | 34.2 | Very low | 32 | Very low | 134 Ų | 134 | 135 Ų | 135 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | cis | -136.6 | 160.2 | 36.1 | 174.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 303 | N | 31.7 | Very low | 32.2 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -80.4 | 162.4 | -179.7 | -47.2 | -38.5 | 0 | 0 | 0 | 113.9 | ||||
| 304 | S | 34.6 | Very low | 32.1 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | -177 | 135.3 | 106.7 | -170.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 305 | N | 32 | Very low | 32.1 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | trans | -59.3 | 151.3 | 173.8 | -40.8 | -31.4 | 0 | 0 | 0 | 113.7 | ||||
| 306 | N | 35.1 | Very low | 32.2 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | -179.6 | 157.3 | 93.8 | -99.8 | -34.2 | 0 | 0 | 0 | 115.6 | |||||
| 307 | N | 34 | Very low | 32 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -76.7 | 146 | -177.4 | -46.4 | -38 | 0 | 0 | 0 | 113.2 | ||||
| 308 | N | 37.3 | Very low | 31.8 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | 168.7 | 138.2 | 102.9 | -87.9 | -41.3 | 0 | 0 | 0 | 114.9 | |||||
| 309 | N | 33.3 | Very low | 31.4 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | 10.5 | 130.8 | 150.6 | -54.9 | -15 | 0 | 0 | 0 | 121 | ||||
| 310 | G | 31.3 | Very low | 31.3 | Very low | 73 Ų | 73 | 140.7 Ų | 140.7 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | 168 | 95.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 311 | N | 32.9 | Very low | 31.2 | Very low | 152 Ų | 152 | 146.3 Ų | 146.3 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | 46 | 123.7 | 156.1 | -70.5 | -13.6 | 0 | 0 | 0 | 122 | ||||
| 312 | N | 31.1 | Very low | 31.1 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | 21.1 | 112.1 | 128.8 | -55.2 | -1 | 0 | 0 | 0 | 118.2 | |||||
| 313 | N | 32.6 | Very low | 31.2 | Very low | 146 Ų | 146 | 140 Ų | 140 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | -173.1 | 146.8 | 101.7 | -89.4 | -29.5 | 0 | 0 | 0 | 112.4 | |||||
| 314 | N | 29.2 | Very low | 31.2 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | trans | 17.1 | 108.5 | 155.2 | -54.2 | -12.7 | 0 | 0 | 0 | 118.6 | ||||
| 315 | N | 30.3 | Very low | 31.1 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 85% | 0.85 | 72% | 0.719 | S | S | * | * | trans | -155.5 | 159.5 | 140.5 | -102.9 | -43.9 | 0 | 0 | 0 | 111.3 | ||||
| 316 | H | 28.4 | Very low | 31.2 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 79% | 0.787 | 71% | 0.714 | S | S | * | * | trans | -59.7 | 131.8 | -168.6 | -76.4 | -94.2 | 0 | 0 | 0 | 114.3 | N318 | H316-N318 VanDerWaalsContact C-N 3.34Å; H316-N318 PolarHBondContact O-N 2.92Å; H316-N318 VanDerWaalsContact O-N 3.15Å | ||
| 317 | I | 28.7 | Very low | 31.4 | Very low | 156 Ų | 156 | 135 Ų | 135 | 80% | 0.8 | 72% | 0.721 | S | S | * | * | trans | -78.8 | 88.8 | 157.7 | -57.6 | 175.1 | 0 | 0 | 0 | 107.5 | ||||
| 318 | N | 25.3 | Very low | 32 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 67% | 0.674 | 72% | 0.721 | S | S | * | * | trans | -81.3 | 177.8 | 147.2 | -78.1 | -11.5 | 0 | 0 | 0 | 108.6 | H316 | H316-N318 VanDerWaalsContact C-N 3.34Å; H316-N318 PolarHBondContact O-N 2.92Å; H316-N318 VanDerWaalsContact O-N 3.15Å | ||
| 319 | D | 26.1 | Very low | 33.4 | Very low | 153 Ų | 153 | 131 Ų | 131 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | trans | 74.2 | 73.5 | -179.8 | -54.8 | -13 | 0 | 0 | 0 | 115.5 | ||||
| 320 | Q | 27.8 | Very low | 35.5 | Very low | 188 Ų | 188 | 124.7 Ų | 124.7 | 88% | 0.879 | 67% | 0.673 | S | S | * | * | trans | -109.2 | 129.7 | 148.2 | -70.7 | -165.3 | -8.9 | 0 | 0 | 109.3 | ||||
| 321 | Q | 29.2 | Very low | 38.1 | Very low | 183 Ų | 183 | 122.1 Ų | 122.1 | 86% | 0.855 | 64% | 0.641 | S | S | * | * | trans | -78.9 | 132.6 | -159.7 | -68.5 | 173.2 | -15.3 | 0 | 0 | 112.2 | ||||
| 322 | I | 27.4 | Very low | 40.6 | Very low | 88 Ų | 88 | 115.2 Ų | 115.2 | 45% | 0.451 | 60% | 0.604 | S | S | . | * | trans | -53.8 | 145.2 | 159.8 | -57.5 | 161.3 | 0 | 0 | 0 | 107.5 | Q324 | I322-Q324 HydrophobicContact CB-CG 3.94Å; I322-Q324 HydrophobicContact CG2-CG 4.08Å; I322-Q324 PolarHBondContact O-N 2.86Å | ||
| 323 | C | 36.3 | Very low | 43.2 | Very low | 94 Ų | 94 | 110.3 Ų | 110.3 | 64% | 0.635 | 58% | 0.577 | S | S | * | * | trans | -69 | 63.4 | 161.2 | -66.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 324 | Q | 31.8 | Very low | 45.8 | Very low | 121 Ų | 121 | 104.3 Ų | 104.3 | 57% | 0.565 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 141.9 | 168.1 | -61.5 | -174 | -29.2 | 0 | 0 | 107.1 | I322 R326 | I322-Q324 HydrophobicContact CB-CG 3.94Å; I322-Q324 HydrophobicContact CG2-CG 4.08Å; I322-Q324 PolarHBondContact O-N 2.86Å; Q324-R326 PolarHBondContact O-N 3.25Å |
| 325 | P | 33.9 | Very low | 48.7 | Very low | 21 Ų | 21 | 97.5 Ų | 97.5 | 14% | 0.136 | 51% | 0.508 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 132.6 | 166.9 | -9.5 | 20.9 | 0 | 0 | 0 | 107.1 | W255 D329 | W255-P325 WeakPolarHBondContact O-CG 3.48Å; P325-D329 HydrophobicContact CB-CB 3.96Å |
| 326 | R | 34.1 | Very low | 51.6 | Low | 155 Ų | 155 | 92.4 Ų | 92.4 | 59% | 0.585 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 148.9 | 164.2 | -69.9 | 177.4 | 170.9 | 152 | -2.1 | 106 | T1 Q324 T328 D329 | T1-R326 PolarHBondContact OG1-NH1 3Å; Q324-R326 PolarHBondContact O-N 3.25Å; R326-T328 PolarHBondContact O-N 3.39Å; R326-D329 WeakPolarHBondContact CB-OD2 3.22Å; R326-D329 PolarHBondContact N-OD2 2.91Å; R326-D329 WeakPolarHBondContact O-CB 3.41Å; R326-D329 PolarHBondContact O-N 3.45Å |
| 327 | S | 37.9 | Very low | 54.5 | Low | 136 Ų | 136 | 85.9 Ų | 85.9 | 95% | 0.951 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 2.9 | -172.8 | 60.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 328 | T | 47.9 | Very low | 57.1 | Low | 115 Ų | 115 | 78.8 Ų | 78.8 | 71% | 0.706 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -15.3 | 173.2 | 48.1 | 0 | 0 | 0 | 0 | 114.5 | R326 | R326-T328 PolarHBondContact O-N 3.39Š|
| 329 | D | 65.1 | Low | 59.6 | Low | 74 Ų | 74 | 76.1 Ų | 76.1 | 40% | 0.396 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -90.7 | 118 | -161.2 | -59.6 | -13.1 | 0 | 0 | 0 | 111.2 | W255 P325 R326 | W255-D329 PolarHBondContact NE1-O 2.83Å; P325-D329 HydrophobicContact CB-CB 3.96Å; R326-D329 WeakPolarHBondContact CB-OD2 3.22Å; R326-D329 PolarHBondContact N-OD2 2.91Å; R326-D329 WeakPolarHBondContact O-CB 3.41Å; R326-D329 PolarHBondContact O-N 3.45Å |
| 330 | S | 78.9 | Confident | 61.5 | Low | 26 Ų | 26 | 69.1 Ų | 69.1 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 151.6 | -172.1 | 64.2 | 0 | 0 | 0 | 0 | 113.4 | W255 I332 S389 D391 | W255-S330 VanDerWaalsContact CZ2-O 3.26Å; W255-S330 WeakPolarHBondContact CZ2-O 3.45Å; W255-S330 PolarHBondContact NE1-O 3.32Å; S330-I332 PolarHBondContact O-N 2.72Å; S330-S389 WeakPolarHBondContact OG-CB 3.08Å; S330-D391 WeakPolarHBondContact CB-OD2 3.3Å; S330-D391 PolarHBondContact OG-OD1 2.87Å; S330-D391 PolarHBondContact OG-OD2 3.05Å |
| 331 | Y | 84.2 | Confident | 62.9 | Low | 19 Ų | 19 | 62.5 Ų | 62.5 | 8% | 0.075 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 130.5 | 178.8 | 171.2 | -120.9 | 0 | 0 | 0 | 111.8 | K235 Q252 W255 L333 S389 M390 | K235-Y331 VanDerWaalsContact CD-OH 3.25Å; K235-Y331 WeakPolarHBondContact CD-OH 3.28Å; Q252-Y331 HydrophobicContact CB-CD1 3.84Å; Q252-Y331 HydrophobicContact CB-CD2 4.3Å; Q252-Y331 HydrophobicContact CB-CE1 3.58Å; Q252-Y331 HydrophobicContact CB-CE2 4.08Å; Q252-Y331 HydrophobicContact CB-CG 4.17Å; Q252-Y331 HydrophobicContact CG-CD1 3.58Å; Q252-Y331 HydrophobicContact CG-CD2 4.33Å; Q252-Y331 HydrophobicContact CG-CE1 3.88Å; Q252-Y331 HydrophobicContact CG-CG 3.8Å; Q252-Y331 PolarHBondContact N-OH 2.88Å; W255-Y331 HydrophobicContact CB-CD2 3.74Å; W255-Y331 HydrophobicContact CB-CE2 4.46Å; W255-Y331 HydrophobicContact CB-CG 4.47Å; W255-Y331 AromaticContact CD2-CD2 3.79Å; W255-Y331 HydrophobicContact CD2-CD2 3.79Å; W255-Y331 AromaticContact CE3-CD2 3.82Å; W255-Y331 HydrophobicContact CE3-CD2 3.82Å; W255-Y331 HydrophobicContact CE3-CE2 4.39Å; W255-Y331 AromaticContact CG-CD2 3.73Å; W255-Y331 HydrophobicContact CG-CD2 3.73Å; W255-Y331 HydrophobicContact CG-CG 4.34Å; Y331-L333 HydrophobicContact CD1-CD2 4.46Å; Y331-L333 HydrophobicContact CE1-CD2 4.3Å; Y331-L333 PolarHBondContact O-N 3.18Å; Y331-S389 CarbonylContact O-C 3.56Å; Y331-S389 VanDerWaalsContact O-CA 3.29Å; Y331-S389 WeakPolarHBondContact O-CA 3.49Å; Y331-S389 WeakPolarHBondContact O-CB 3.14Å; Y331-M390 HydrophobicContact CD1-CG 3.87Å; Y331-M390 HydrophobicContact CG-CG 4.42Å; Y331-M390 WeakPolarHBondContact O-CG 3.48Å; Y331-M390 PolarHBondContact O-N 2.77Å |
| 332 | I | 86.5 | Confident | 63.9 | Low | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.036 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 119.6 | 175.3 | -73 | 170.3 | 0 | 0 | 0 | 109.8 | L249 W255 I260 S330 M335 T387 W388 | L249-I332 HydrophobicContact CD1-CB 3.98Å; L249-I332 HydrophobicContact CD1-CG2 3.98Å; L249-I332 HydrophobicContact CD2-CG2 4.46Å; W255-I332 HydrophobicContact CH2-CB 4.25Å; W255-I332 HydrophobicContact CH2-CD1 3.82Å; W255-I332 HydrophobicContact CH2-CG1 4.04Å; W255-I332 HydrophobicContact CZ2-CD1 4.48Å; W255-I332 HydrophobicContact CZ2-CG1 4.45Å; W255-I332 HydrophobicContact CZ3-CB 4.36Å; I260-I332 HydrophobicContact CD1-CD1 3.46Å; I260-I332 VanDerWaalsContact CD1-CD1 3.46Å; I260-I332 HydrophobicContact CG1-CD1 4.27Å; S330-I332 PolarHBondContact O-N 2.72Å; I332-M335 HydrophobicContact CG2-CG 3.54Å; I332-M335 HydrophobicContact CG2-SD 4.21Å; I332-T387 HydrophobicContact CD1-CG2 3.98Å; I332-W388 CarbonylContact C-O 3.56Å; I332-W388 WeakPolarHBondContact CA-O 3.25Å |
| 333 | L | 86 | Confident | 64.8 | Low | 34 Ų | 34 | 58.5 Ų | 58.5 | 18% | 0.178 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | -48.1 | 179.9 | -79.2 | 166.6 | 0 | 0 | 0 | 111.1 | K235 Y331 W388 M390 | K235-L333 PolarHBondContact NZ-O 3.33Å; Y331-L333 HydrophobicContact CD1-CD2 4.46Å; Y331-L333 HydrophobicContact CE1-CD2 4.3Å; Y331-L333 PolarHBondContact O-N 3.18Å; L333-W388 PolarHBondContact N-O 2.87Å; L333-M390 HydrophobicContact CD1-CG 4.31Å; L333-M390 HydrophobicContact CD1-SD 3.79Å; L333-M390 HydrophobicContact CD2-CG 4.3Å; L333-M390 HydrophobicContact CD2-SD 3.68Å; L333-M390 HydrophobicContact CG-CG 4.05Å; L333-M390 HydrophobicContact CG-SD 3.85Å |
| 334 | D | 87.4 | Confident | 65.3 | Low | 21 Ų | 21 | 55.3 Ų | 55.3 | 11% | 0.112 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 158.9 | -179.6 | -164.2 | 21.1 | 0 | 0 | 0 | 112.1 | I18 K236 W388 | I18-D334 HydrophobicContact CG2-CB 3.82Å; I18-D334 PolarHBondContact N-OD2 2.79Å; I18-D334 VanDerWaalsContact N-OD2 3.11Å; K236-D334 IonicContact NZ-OD1 3.26Å; K236-D334 PolarHBondContact NZ-OD1 3.26Å; K236-D334 IonicContact NZ-OD2 2.78Å; D334-W388 PolarHBondContact N-O 3.34Å; D334-W388 PolarHBondContact O-N 3.43Å |
| 335 | M | 90.2 | Very high | 65.8 | Low | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 142.8 | -175.2 | -52.9 | -174.6 | -53.3 | 0 | 0 | 111.4 | K236 I238 I247 L249 I260 I332 L385 L386 T387 | K236-M335 PolarHBondContact NZ-O 2.67Å; I238-M335 HydrophobicContact CD1-CB 4.37Å; I238-M335 HydrophobicContact CD1-CE 4.01Å; I238-M335 HydrophobicContact CG1-CE 4.47Å; I247-M335 HydrophobicContact CG2-CE 3.98Å; L249-M335 HydrophobicContact CB-CE 3.8Å; L249-M335 HydrophobicContact CB-SD 4.44Å; L249-M335 HydrophobicContact CD1-SD 4.29Å; I260-M335 HydrophobicContact CD1-SD 3.44Å; I260-M335 WeakPolarHBondContact CD1-SD 3.24Å; I260-M335 HydrophobicContact CG1-SD 4.03Å; I332-M335 HydrophobicContact CG2-CG 3.54Å; I332-M335 HydrophobicContact CG2-SD 4.21Å; M335-L385 HydrophobicContact CB-CD1 4.3Å; M335-L385 HydrophobicContact SD-CD2 4.43Å; M335-L386 VanDerWaalsContact CA-O 3.32Å; M335-L386 WeakPolarHBondContact CA-O 3.3Å; M335-T387 HydrophobicContact CG-CG2 4.1Å; M335-T387 HydrophobicContact SD-CG2 4.46Å |
| 336 | N | 90.3 | Very high | 66 | Low | 53 Ų | 53 | 54.3 Ų | 54.3 | 28% | 0.283 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 167 | 174.9 | -151.2 | -23.6 | 0 | 0 | 0 | 111.4 | I18 L386 | I18-N336 HydrophobicContact CG2-CB 4.18Å; I18-N336 PolarHBondContact O-ND2 3.09Å; N336-L386 PolarHBondContact N-O 3.05Å; N336-L386 WeakPolarHBondContact O-CB 3.2Å; N336-L386 PolarHBondContact O-N 3.32Å |
| 337 | W | 88.9 | Confident | 66.3 | Low | 32 Ų | 32 | 52.8 Ų | 52.8 | 12% | 0.121 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 140.1 | -179.7 | -71.4 | 113.3 | 0 | 0 | 0 | 112.2 | A20 I238 Y239 T240 P241 I247 V383 L385 I399 | A20-W337 WeakPolarHBondContact CB-O 3.38Å; I238-W337 HydrophobicContact CD1-CZ2 4.25Å; Y239-W337 PolarHBondContact O-NE1 3.13Å; T240-W337 HydrophobicContact CG2-CH2 3.85Å; T240-W337 HydrophobicContact CG2-CZ2 3.89Å; P241-W337 HydrophobicContact CG-CB 4.15Å; P241-W337 HydrophobicContact CG-CD2 3.77Å; P241-W337 HydrophobicContact CG-CE3 4.04Å; P241-W337 HydrophobicContact CG-CG 3.78Å; I247-W337 HydrophobicContact CD1-CH2 3.53Å; I247-W337 HydrophobicContact CD1-CZ2 3.66Å; I247-W337 HydrophobicContact CG1-CZ2 4.28Å; W337-V383 HydrophobicContact CE3-CG1 3.55Å; W337-V383 HydrophobicContact CZ3-CG1 3.67Å; W337-L385 HydrophobicContact CD2-CD1 4.32Å; W337-L385 HydrophobicContact CE3-CB 4.42Å; W337-L385 HydrophobicContact CE3-CD1 4.25Å; W337-L385 HydrophobicContact CH2-CB 4.44Å; W337-L385 HydrophobicContact CH2-CD1 4.13Å; W337-L385 HydrophobicContact CZ2-CD1 4.18Å; W337-L385 HydrophobicContact CZ3-CB 3.99Å; W337-L385 HydrophobicContact CZ3-CD1 4.17Å; W337-I399 HydrophobicContact CH2-CD1 3.82Å; W337-I399 HydrophobicContact CZ3-CD1 3.89Å |
| 338 | L | 84 | Confident | 66.1 | Low | 7 Ų | 7 | 50.9 Ų | 50.9 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 120.9 | 171.3 | 179.7 | 64.4 | 0 | 0 | 0 | 108.3 | A20 G24 L40 V383 H384 L386 V396 | A20-L338 HydrophobicContact CB-CD1 4.43Å; G24-L338 VanDerWaalsContact CA-CD1 3.43Å; L40-L338 HydrophobicContact CD1-CD1 3.56Å; L40-L338 HydrophobicContact CD1-CD2 3.81Å; L40-L338 HydrophobicContact CD1-CG 4.36Å; L338-V383 WeakPolarHBondContact O-CA 3.2Å; L338-H384 HydrophobicContact CB-CB 4.25Å; L338-H384 HydrophobicContact CD2-CB 4.35Å; L338-H384 PolarHBondContact N-O 2.82Å; L338-H384 PolarHBondContact O-N 2.96Å; L338-L386 HydrophobicContact CB-CD1 3.77Å; L338-L386 HydrophobicContact CB-CG 4.02Å; L338-L386 HydrophobicContact CD1-CD1 4.31Å; L338-L386 HydrophobicContact CD2-CD1 4.44Å; L338-L386 HydrophobicContact CD2-CG 4.42Å; L338-L386 HydrophobicContact CG-CD1 4.4Å; L338-V396 HydrophobicContact CD2-CG1 4.47Å; L338-V396 HydrophobicContact CD2-CG2 4.37Å |
| 339 | I | 77.5 | Confident | 65.1 | Low | 71 Ų | 71 | 51.3 Ų | 51.3 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 96.6 | -179.4 | -55 | -179.2 | 0 | 0 | 0 | 108.2 | P241 K381 V383 | P241-I339 HydrophobicContact CB-CD1 4.03Å; P241-I339 HydrophobicContact CG-CD1 4.15Å; P241-I339 HydrophobicContact CG-CG1 4.44Å; I339-K381 HydrophobicContact CG2-CB 4.26Å; I339-K381 HydrophobicContact CG2-CD 4.12Å; I339-V383 HydrophobicContact CG1-CG2 4.44Å |
| 340 | C | 65.7 | Low | 63.4 | Low | 6 Ų | 6 | 52.6 Ų | 52.6 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 130 | -179.4 | -68.2 | 0 | 0 | 0 | 0 | 111.2 | L345 N382 | C340-L345 HydrophobicContact CB-CD1 3.97Å; C340-L345 HydrophobicContact CB-CD2 4.38Å; C340-L345 HydrophobicContact CB-CG 3.91Å; C340-N382 PolarHBondContact N-O 2.83Å; C340-N382 PolarHBondContact O-N 3.37Å |
| 341 | S | 57.2 | Low | 60.9 | Low | 49 Ų | 49 | 57.5 Ų | 57.5 | 34% | 0.343 | 35% | 0.35 | S | S | . | . | trans | -64.2 | 142.1 | 158.5 | 48.6 | 0 | 0 | 0 | 0 | 109.6 | S343 N344 | S341-S343 PolarHBondContact O-N 2.85Å; S341-N344 PolarHBondContact O-N 3.4Å; S341-N344 VanDerWaalsContact O-N 3.09Å; S341-N344 PolarHBondContact OG-ND2 2.86Å | ||
| 342 | S | 50.5 | Low | 58.3 | Low | 87 Ų | 87 | 64.5 Ų | 64.5 | 61% | 0.608 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -16.9 | -170.6 | 45.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 343 | S | 47.6 | Very low | 55.6 | Low | 99 Ų | 99 | 69.5 Ų | 69.5 | 69% | 0.692 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 0 | 178.3 | 53 | 0 | 0 | 0 | 0 | 115.4 | S341 | S341-S343 PolarHBondContact O-N 2.85Š|
| 344 | N | 45.9 | Very low | 52.8 | Low | 27 Ų | 27 | 74.7 Ų | 74.7 | 14% | 0.144 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -117.3 | 4.7 | -171.4 | -81.5 | -70.1 | 0 | 0 | 0 | 116.5 | K41 S341 | K41-N344 PolarHBondContact NZ-OD1 2.95Å; S341-N344 PolarHBondContact O-N 3.4Å; S341-N344 VanDerWaalsContact O-N 3.09Å; S341-N344 PolarHBondContact OG-ND2 2.86Å |
| 345 | L | 42.4 | Very low | 50.1 | Low | 48 Ų | 48 | 80.6 Ų | 80.6 | 25% | 0.251 | 48% | 0.475 | S | S | . | . | trans | -88.3 | 131.8 | -172.7 | -92 | 159.6 | 0 | 0 | 0 | 114.4 | C340 F347 N382 | C340-L345 HydrophobicContact CB-CD1 3.97Å; C340-L345 HydrophobicContact CB-CD2 4.38Å; C340-L345 HydrophobicContact CB-CG 3.91Å; L345-F347 HydrophobicContact CD2-CD2 4.36Å; L345-F347 PolarHBondContact O-N 2.85Å; L345-F347 VanDerWaalsContact O-N 3.13Å; L345-N382 HydrophobicContact CD1-CB 3.49Å; L345-N382 VanDerWaalsContact CD1-CB 3.49Å; L345-N382 WeakPolarHBondContact CD1-ND2 3.27Å | ||
| 346 | P | 38.1 | Very low | 47.4 | Very low | 73 Ų | 73 | 88.6 Ų | 88.6 | 47% | 0.474 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -72 | 6.1 | 174 | -19.1 | 32.9 | 0 | 0 | 0 | 116.1 | ||
| 347 | F | 40.9 | Very low | 44.5 | Very low | 123 Ų | 123 | 94.2 Ų | 94.2 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | trans | -130.1 | 58.1 | -160 | -60.4 | -66.8 | 0 | 0 | 0 | 114.1 | L345 | L345-F347 HydrophobicContact CD2-CD2 4.36Å; L345-F347 PolarHBondContact O-N 2.85Å; L345-F347 VanDerWaalsContact O-N 3.13Å | ||
| 348 | S | 33 | Very low | 41.6 | Very low | 97 Ų | 97 | 100.5 Ų | 100.5 | 68% | 0.678 | 57% | 0.572 | S | S | * | * | trans | -95.1 | 120.9 | 155.5 | 54.7 | 0 | 0 | 0 | 0 | 109.4 | S350 | S348-S350 PolarHBondContact O-N 2.9Š| ||
| 349 | S | 27.6 | Very low | 38.9 | Very low | 124 Ų | 124 | 106.5 Ų | 106.5 | 87% | 0.867 | 61% | 0.61 | S | S | * | * | trans | -74.9 | 87.5 | 179.5 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 350 | S | 28.2 | Very low | 36.6 | Very low | 101 Ų | 101 | 109 Ų | 109 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | trans | -116.6 | 68.3 | 173.6 | 60.9 | 0 | 0 | 0 | 0 | 111.2 | S348 M352 | S348-S350 PolarHBondContact O-N 2.9Å; S350-M352 VanDerWaalsContact C-N 3.33Å; S350-M352 PolarHBondContact O-N 3.25Å | ||
| 351 | T | 26.8 | Very low | 34.7 | Very low | 128 Ų | 128 | 115.7 Ų | 115.7 | 79% | 0.785 | 66% | 0.663 | S | S | * | * | trans | -71.2 | 90 | 162.7 | 48.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 352 | M | 29.1 | Very low | 33.3 | Very low | 166 Ų | 166 | 122.9 Ų | 122.9 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -147.6 | 134.5 | 154.6 | -88.8 | -59.9 | 100.8 | 0 | 0 | 109.7 | S350 | S350-M352 VanDerWaalsContact C-N 3.33Å; S350-M352 PolarHBondContact O-N 3.25Å | ||
| 353 | T | 30.1 | Very low | 32.1 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | trans | -37.5 | 139.3 | 174.3 | 50 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 354 | D | 27.8 | Very low | 31.1 | Very low | 144 Ų | 144 | 127.1 Ų | 127.1 | 77% | 0.77 | 70% | 0.695 | S | S | * | * | trans | 19.3 | 104 | 133 | -46.7 | -26.4 | 0 | 0 | 0 | 117 | ||||
| 355 | D | 31.1 | Very low | 30.1 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | 179.8 | 133 | 110.3 | -99.6 | -22.9 | 0 | 0 | 0 | 114.3 | |||||
| 356 | H | 32.7 | Very low | 29.5 | Very low | 169 Ų | 169 | 137.3 Ų | 137.3 | 78% | 0.782 | 75% | 0.75 | S | S | * | * | trans | 59 | 144.3 | 153.6 | -80.7 | -76 | 0 | 0 | 0 | 124 | ||||
| 357 | E | 29.4 | Very low | 28.9 | Very low | 171 Ų | 171 | 142.4 Ų | 142.4 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | trans | -78.1 | 156.9 | 176.6 | -50.6 | 152.4 | 117.7 | 0 | 0 | 112.5 | ||||
| 358 | L | 28.6 | Very low | 28.2 | Very low | 165 Ų | 165 | 144.7 Ų | 144.7 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | -171.3 | 127.9 | 127.6 | -106.4 | 161.5 | 0 | 0 | 0 | 112.5 | |||||
| 359 | T | 27.9 | Very low | 28.1 | Very low | 133 Ų | 133 | 146 Ų | 146 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | trans | -85.8 | 125.2 | 171.2 | 50.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 360 | T | 28.8 | Very low | 28.1 | Very low | 123 Ų | 123 | 145.8 Ų | 145.8 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -140.9 | 137.5 | 159.4 | 38.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 361 | N | 25.6 | Very low | 28 | Very low | 146 Ų | 146 | 146.8 Ų | 146.8 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | -75.4 | 140 | 174.7 | -54.1 | -53.7 | 0 | 0 | 0 | 109.9 | ||||
| 362 | F | 26.4 | Very low | 28 | Very low | 200 Ų | 200 | 147.6 Ų | 147.6 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -131.8 | 133.9 | 150 | -93.6 | -79.7 | 0 | 0 | 0 | 110.1 | ||||
| 363 | I | 25.5 | Very low | 28 | Very low | 134 Ų | 134 | 146.9 Ų | 146.9 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | trans | -137.6 | 150.7 | -170.2 | -86 | 173.1 | 0 | 0 | 0 | 105.7 | ||||
| 364 | L | 26.4 | Very low | 27.8 | Very low | 141 Ų | 141 | 148.4 Ų | 148.4 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | 82.2 | 117.1 | 178.8 | -60.7 | 148.4 | 0 | 0 | 0 | 117.4 | ||||
| 365 | D | 25.3 | Very low | 27.7 | Very low | 128 Ų | 128 | 149.7 Ų | 149.7 | 68% | 0.684 | 79% | 0.791 | S | S | * | * | 69.7 | 119.6 | 124.8 | -50.4 | -8.5 | 0 | 0 | 0 | 122.2 | |||||
| 366 | N | 29.2 | Very low | 27.5 | Very low | 162 Ų | 162 | 149.7 Ų | 149.7 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | -152 | 152 | 95.7 | -109.6 | -81.9 | 0 | 0 | 0 | 112.8 | |||||
| 367 | E | 26 | Very low | 27.1 | Very low | 180 Ų | 180 | 150.6 Ų | 150.6 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | trans | -84.7 | -163.7 | 173.1 | -57.3 | -174.9 | 119.5 | 0 | 0 | 111.5 | ||||
| 368 | M | 27.2 | Very low | 26.9 | Very low | 170 Ų | 170 | 148.2 Ų | 148.2 | 84% | 0.837 | 78% | 0.784 | S | S | * | * | trans | 77 | 61.1 | 159.3 | -153.6 | 79.5 | 85.7 | 0 | 0 | 117.4 | ||||
| 369 | S | 30.2 | Very low | 27.1 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | -144.1 | 95.2 | 147.4 | -62.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 370 | T | 27.1 | Very low | 27.8 | Very low | 121 Ų | 121 | 145.8 Ų | 145.8 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | -65.9 | 157.8 | 171.1 | 43.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 371 | T | 25.7 | Very low | 28.9 | Very low | 121 Ų | 121 | 147 Ų | 147 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 79.3 | 138 | 170.1 | 75.5 | 0 | 0 | 0 | 0 | 118.4 | ||
| 372 | N | 27.5 | Very low | 30.7 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | trans | 76.8 | 70.4 | 167.6 | -47.4 | -51.6 | 0 | 0 | 0 | 118.7 | ||||
| 373 | Q | 30 | Very low | 33 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | trans | -121 | 83.9 | 154.4 | -83.8 | 177.8 | -40.3 | 0 | 0 | 110.9 | E376 | Q373-E376 PolarHBondContact NE2-OE1 3.16Å; Q373-E376 PolarHBondContact NE2-OE2 3.47Å; Q373-E376 VanDerWaalsContact NE2-OE2 3.1Å | ||
| 374 | N | 25.1 | Very low | 35.7 | Very low | 145 Ų | 145 | 127.9 Ų | 127.9 | 78% | 0.775 | 67% | 0.668 | S | S | * | * | trans | -99.4 | 143.3 | 154.8 | -75.6 | -53.7 | 0 | 0 | 0 | 107.3 | ||||
| 375 | L | 26.5 | Very low | 38.5 | Very low | 171 Ų | 171 | 121.1 Ų | 121.1 | 90% | 0.895 | 63% | 0.633 | S | S | * | * | trans | 63 | 82.6 | -176.1 | -62.3 | 86.8 | 0 | 0 | 0 | 116.1 | ||||
| 376 | E | 25.7 | Very low | 41.5 | Very low | 144 Ų | 144 | 115 Ų | 115 | 67% | 0.673 | 60% | 0.6 | S | S | * | * | trans | -124.9 | 96.3 | 160.7 | -72.3 | -162.2 | 176.6 | 0 | 0 | 114.2 | Q373 | Q373-E376 PolarHBondContact NE2-OE1 3.16Å; Q373-E376 PolarHBondContact NE2-OE2 3.47Å; Q373-E376 VanDerWaalsContact NE2-OE2 3.1Å | ||
| 377 | Y | 25.5 | Very low | 44.3 | Very low | 188 Ų | 188 | 107.3 Ų | 107.3 | 74% | 0.737 | 56% | 0.559 | S | S | * | * | 56.1 | 80.2 | 123.8 | -137.5 | -95 | 0 | 0 | 0 | 119 | |||||
| 378 | C | 25.5 | Very low | 47.3 | Very low | 120 Ų | 120 | 98.8 Ų | 98.8 | 81% | 0.811 | 52% | 0.519 | S | S | * | . | trans | -58 | 127.7 | 153.7 | -72.9 | 0 | 0 | 0 | 0 | 109.7 | K380 | C378-K380 PolarHBondContact O-N 3.33Š| ||
| 379 | P | 31.7 | Very low | 50.1 | Low | 91 Ų | 91 | 90.7 Ų | 90.7 | 59% | 0.591 | 48% | 0.479 | S | S | * | . | trans | -64.2 | 130.4 | 176.5 | 26.5 | -33.6 | 0 | 0 | 0 | 109.4 | K381 | P379-K381 PolarHBondContact O-N 3.23Š| ||
| 380 | K | 42 | Very low | 52.8 | Low | 156 Ų | 156 | 89.2 Ų | 89.2 | 68% | 0.678 | 46% | 0.459 | S | S | * | . | trans | -61.9 | 93.4 | 178 | -66.1 | 180 | -178.8 | 177.5 | 0 | 109.8 | C378 N382 | C378-K380 PolarHBondContact O-N 3.33Å; K380-N382 PolarHBondContact O-N 2.93Å | ||
| 381 | K | 52.7 | Low | 55.5 | Low | 150 Ų | 150 | 85.7 Ų | 85.7 | 65% | 0.652 | 44% | 0.436 | S | S | * | . | trans | -61.8 | 115.6 | 167.3 | -70.6 | -174 | 179 | -178.6 | 0 | 107.1 | I339 P379 V383 | I339-K381 HydrophobicContact CG2-CB 4.26Å; I339-K381 HydrophobicContact CG2-CD 4.12Å; P379-K381 PolarHBondContact O-N 3.23Å; K381-V383 PolarHBondContact O-N 2.9Å | ||
| 382 | N | 64.2 | Low | 58.2 | Low | 49 Ų | 49 | 82.1 Ų | 82.1 | 26% | 0.262 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 110.3 | -179.1 | -77.3 | -29 | 0 | 0 | 0 | 108 | C340 L345 K380 H384 | C340-N382 PolarHBondContact N-O 2.83Å; C340-N382 PolarHBondContact O-N 3.37Å; L345-N382 HydrophobicContact CD1-CB 3.49Å; L345-N382 VanDerWaalsContact CD1-CB 3.49Å; L345-N382 WeakPolarHBondContact CD1-ND2 3.27Å; K380-N382 PolarHBondContact O-N 2.93Å; N382-H384 PolarHBondContact O-CD2 3.41Å |
| 383 | V | 73.3 | Confident | 61 | Low | 11 Ų | 11 | 76.1 Ų | 76.1 | 7% | 0.067 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 132.6 | -178.5 | 175.4 | 0 | 0 | 0 | 0 | 108.9 | P241 W337 L338 I339 K381 I399 F401 | P241-V383 HydrophobicContact CB-CG1 4.5Å; P241-V383 HydrophobicContact CB-CG2 4.43Å; P241-V383 HydrophobicContact CG-CG1 3.77Å; P241-V383 HydrophobicContact CG-CG2 4.49Å; W337-V383 HydrophobicContact CE3-CG1 3.55Å; W337-V383 HydrophobicContact CZ3-CG1 3.67Å; L338-V383 WeakPolarHBondContact O-CA 3.2Å; I339-V383 HydrophobicContact CG1-CG2 4.44Å; K381-V383 PolarHBondContact O-N 2.9Å; V383-I399 PolarHBondContact O-N 3.43Å; V383-F401 HydrophobicContact CB-CE2 3.82Å; V383-F401 HydrophobicContact CB-CZ 4.28Å; V383-F401 HydrophobicContact CG1-CE2 4.17Å; V383-F401 HydrophobicContact CG1-CZ 4.14Å; V383-F401 HydrophobicContact CG2-CE2 3.93Å |
| 384 | H | 82.1 | Confident | 63.6 | Low | 17 Ų | 17 | 68.9 Ų | 68.9 | 8% | 0.079 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 146.2 | 176.8 | -48.6 | -112.4 | 0 | 0 | 0 | 110.1 | L338 N382 V396 Y397 P398 | L338-H384 HydrophobicContact CB-CB 4.25Å; L338-H384 HydrophobicContact CD2-CB 4.35Å; L338-H384 PolarHBondContact N-O 2.82Å; L338-H384 PolarHBondContact O-N 2.96Å; N382-H384 PolarHBondContact O-CD2 3.41Å; H384-V396 HydrophobicContact CB-CG1 3.56Å; H384-Y397 CarbonylContact C-O 3.3Å; H384-Y397 WeakPolarHBondContact CA-O 3.25Å; H384-Y397 WeakPolarHBondContact CB-O 3.34Å; H384-P398 WeakPolarHBondContact ND1-CA 3.48Å |
| 385 | L | 86.3 | Confident | 66.5 | Low | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 119 | 170.4 | -176.1 | 69.1 | 0 | 0 | 0 | 108.8 | I238 I247 I260 M335 W337 T387 V396 Y397 I399 | I238-L385 HydrophobicContact CD1-CD1 3.98Å; I247-L385 HydrophobicContact CD1-CD1 4.42Å; I247-L385 HydrophobicContact CD1-CD2 4.05Å; I260-L385 HydrophobicContact CD1-CD2 4.48Å; M335-L385 HydrophobicContact CB-CD1 4.3Å; M335-L385 HydrophobicContact SD-CD2 4.43Å; W337-L385 HydrophobicContact CD2-CD1 4.32Å; W337-L385 HydrophobicContact CE3-CB 4.42Å; W337-L385 HydrophobicContact CE3-CD1 4.25Å; W337-L385 HydrophobicContact CH2-CB 4.44Å; W337-L385 HydrophobicContact CH2-CD1 4.13Å; W337-L385 HydrophobicContact CZ2-CD1 4.18Å; W337-L385 HydrophobicContact CZ3-CB 3.99Å; W337-L385 HydrophobicContact CZ3-CD1 4.17Å; L385-T387 HydrophobicContact CD2-CG2 3.98Å; L385-T387 HydrophobicContact CG-CG2 3.94Å; L385-V396 WeakPolarHBondContact O-CA 3.44Å; L385-Y397 PolarHBondContact N-O 2.99Å; L385-Y397 PolarHBondContact O-N 2.79Å; L385-I399 HydrophobicContact CB-CD1 3.88Å |
| 386 | L | 87.6 | Confident | 69.1 | Low | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 134 | 166.5 | -81.9 | 159.5 | 0 | 0 | 0 | 109.1 | I18 A20 V27 M335 N336 L338 L394 R395 V396 | I18-L386 HydrophobicContact CD1-CB 3.86Å; I18-L386 HydrophobicContact CD1-CD2 4.39Å; A20-L386 HydrophobicContact CB-CD1 3.64Å; V27-L386 HydrophobicContact CG2-CD1 3.66Å; V27-L386 HydrophobicContact CG2-CD2 3.9Å; V27-L386 HydrophobicContact CG2-CG 4.48Å; M335-L386 VanDerWaalsContact CA-O 3.32Å; M335-L386 WeakPolarHBondContact CA-O 3.3Å; N336-L386 PolarHBondContact N-O 3.05Å; N336-L386 WeakPolarHBondContact O-CB 3.2Å; N336-L386 PolarHBondContact O-N 3.32Å; L338-L386 HydrophobicContact CB-CD1 3.77Å; L338-L386 HydrophobicContact CB-CG 4.02Å; L338-L386 HydrophobicContact CD1-CD1 4.31Å; L338-L386 HydrophobicContact CD2-CD1 4.44Å; L338-L386 HydrophobicContact CD2-CG 4.42Å; L338-L386 HydrophobicContact CG-CD1 4.4Å; L386-L394 HydrophobicContact CD2-CD1 3.89Å; L386-L394 HydrophobicContact CD2-CG 4.33Å; L386-R395 WeakPolarHBondContact CA-O 3.47Å; L386-V396 HydrophobicContact CD2-CG2 3.32Å; L386-V396 HydrophobicContact CG-CG2 4.01Å |
| 387 | T | 88.6 | Confident | 71.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 137.8 | 173.7 | 71.2 | 0 | 0 | 0 | 0 | 110.7 | I260 I332 M335 L385 R395 Y397 | I260-T387 HydrophobicContact CD1-CG2 4.39Å; I332-T387 HydrophobicContact CD1-CG2 3.98Å; M335-T387 HydrophobicContact CG-CG2 4.1Å; M335-T387 HydrophobicContact SD-CG2 4.46Å; L385-T387 HydrophobicContact CD2-CG2 3.98Å; L385-T387 HydrophobicContact CG-CG2 3.94Å; T387-R395 PolarHBondContact N-O 3.01Å; T387-R395 PolarHBondContact O-N 2.91Å; T387-Y397 HydrophobicContact CG2-CD2 4.03Å; T387-Y397 HydrophobicContact CG2-CE2 3.83Å; T387-Y397 WeakPolarHBondContact OG1-CE2 3.47Å |
| 388 | W | 88.6 | Confident | 73.8 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.6 | 170.1 | 178.5 | -106.2 | 0 | 0 | 0 | 110.1 | L10 I15 I18 L29 I332 L333 D334 N392 L394 | L10-W388 HydrophobicContact CB-CH2 3.97Å; L10-W388 HydrophobicContact CD1-CH2 4.38Å; L10-W388 HydrophobicContact CD1-CZ3 4.47Å; I15-W388 HydrophobicContact CB-CD2 4.35Å; I15-W388 HydrophobicContact CB-CZ2 3.78Å; I15-W388 HydrophobicContact CD1-CH2 3.74Å; I15-W388 HydrophobicContact CD1-CZ2 3.57Å; I15-W388 HydrophobicContact CD1-CZ3 4.34Å; I15-W388 HydrophobicContact CG1-CZ2 4.27Å; I15-W388 HydrophobicContact CG2-CD2 4Å; I15-W388 HydrophobicContact CG2-CG 3.96Å; I15-W388 HydrophobicContact CG2-CZ2 4.34Å; I15-W388 PolarHBondContact O-NE1 2.74Å; I18-W388 HydrophobicContact CD1-CB 4.38Å; L29-W388 HydrophobicContact CD1-CE3 4.28Å; L29-W388 HydrophobicContact CD1-CZ3 4.26Å; L29-W388 HydrophobicContact CD2-CD2 4.44Å; L29-W388 HydrophobicContact CD2-CE3 4.25Å; I332-W388 CarbonylContact C-O 3.56Å; I332-W388 WeakPolarHBondContact CA-O 3.25Å; L333-W388 PolarHBondContact N-O 2.87Å; D334-W388 PolarHBondContact N-O 3.34Å; D334-W388 PolarHBondContact O-N 3.43Å; W388-N392 HydrophobicContact CH2-CB 3.7Å; W388-N392 WeakPolarHBondContact CH2-O 3.29Å; W388-N392 VanDerWaalsContact CZ2-CA 3.45Å; W388-N392 HydrophobicContact CZ2-CB 3.77Å; W388-N392 WeakPolarHBondContact CZ3-O 3.33Å; W388-L394 HydrophobicContact CE3-CB 4.1Å; W388-L394 HydrophobicContact CE3-CD1 4.46Å; W388-L394 HydrophobicContact CZ3-CB 4.15Å |
| 389 | S | 87.2 | Confident | 75.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 162.4 | -171.1 | 45.3 | 0 | 0 | 0 | 0 | 114.7 | S330 Y331 D391 N392 I393 R395 | S330-S389 WeakPolarHBondContact OG-CB 3.08Å; Y331-S389 CarbonylContact O-C 3.56Å; Y331-S389 VanDerWaalsContact O-CA 3.29Å; Y331-S389 WeakPolarHBondContact O-CA 3.49Å; Y331-S389 WeakPolarHBondContact O-CB 3.14Å; S389-D391 WeakPolarHBondContact CB-OD1 3.48Å; S389-D391 PolarHBondContact O-N 2.94Å; S389-D391 VanDerWaalsContact O-N 3.1Å; S389-D391 PolarHBondContact OG-OD1 3.09Å; S389-N392 WeakPolarHBondContact O-CA 3.4Å; S389-N392 PolarHBondContact O-N 2.97Å; S389-I393 PolarHBondContact OG-O 3.22Å; S389-R395 PolarHBondContact OG-NH1 3Å |
| 390 | M | 85.2 | Confident | 77.2 | Confident | 94 Ų | 94 | 43.3 Ų | 43.3 | 46% | 0.463 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -12.5 | -176.1 | -76 | -66.9 | -61.1 | 0 | 0 | 115.5 | Y331 L333 | Y331-M390 HydrophobicContact CD1-CG 3.87Å; Y331-M390 HydrophobicContact CG-CG 4.42Å; Y331-M390 WeakPolarHBondContact O-CG 3.48Å; Y331-M390 PolarHBondContact O-N 2.77Å; L333-M390 HydrophobicContact CD1-CG 4.31Å; L333-M390 HydrophobicContact CD1-SD 3.79Å; L333-M390 HydrophobicContact CD2-CG 4.3Å; L333-M390 HydrophobicContact CD2-SD 3.68Å; L333-M390 HydrophobicContact CG-CG 4.05Å; L333-M390 HydrophobicContact CG-SD 3.85Å |
| 391 | D | 83.5 | Confident | 77.8 | Confident | 47 Ų | 47 | 38.6 Ų | 38.6 | 25% | 0.251 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 0.1 | 168.8 | 54.8 | 8 | 0 | 0 | 0 | 113.2 | S330 S389 I393 R395 | S330-D391 WeakPolarHBondContact CB-OD2 3.3Å; S330-D391 PolarHBondContact OG-OD1 2.87Å; S330-D391 PolarHBondContact OG-OD2 3.05Å; S389-D391 WeakPolarHBondContact CB-OD1 3.48Å; S389-D391 PolarHBondContact O-N 2.94Å; S389-D391 VanDerWaalsContact O-N 3.1Å; S389-D391 PolarHBondContact OG-OD1 3.09Å; D391-I393 VanDerWaalsContact C-N 3.32Å; D391-I393 HydrophobicContact CB-CD1 4.34Å; D391-I393 HydrophobicContact CB-CG1 4.34Å; D391-I393 WeakPolarHBondContact OD1-CB 3.39Å; D391-I393 PolarHBondContact OD1-N 3.39Å; D391-R395 IonicContact OD1-NH1 2.9Å; D391-R395 PolarHBondContact OD1-NH1 3.37Å; D391-R395 IonicContact OD2-CZ 3.19Å; D391-R395 VanDerWaalsContact OD2-CZ 3.26Å; D391-R395 IonicContact OD2-NH1 3.51Å; D391-R395 PolarHBondContact OD2-NH1 3.05Å; D391-R395 IonicContact OD2-NH2 2.99Å; D391-R395 PolarHBondContact OD2-NH2 2.99Å |
| 392 | N | 83.9 | Confident | 77.3 | Confident | 46 Ų | 46 | 37.7 Ų | 37.7 | 25% | 0.246 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 61.9 | 33.8 | -172.9 | -48.1 | -57.9 | 0 | 0 | 0 | 113.9 | E9 L10 F13 W388 S389 | E9-N392 CarbonylContact C-O 3.53Å; E9-N392 WeakPolarHBondContact CA-O 3.3Å; L10-N392 PolarHBondContact N-O 3.23Å; L10-N392 WeakPolarHBondContact O-CB 3.47Å; F13-N392 PolarHBondContact O-OD1 3.22Å; W388-N392 HydrophobicContact CH2-CB 3.7Å; W388-N392 WeakPolarHBondContact CH2-O 3.29Å; W388-N392 VanDerWaalsContact CZ2-CA 3.45Å; W388-N392 HydrophobicContact CZ2-CB 3.77Å; W388-N392 WeakPolarHBondContact CZ3-O 3.33Å; S389-N392 WeakPolarHBondContact O-CA 3.4Å; S389-N392 PolarHBondContact O-N 2.97Å |
| 393 | I | 85.3 | Confident | 75.8 | Confident | 18 Ų | 18 | 40.7 Ų | 40.7 | 9% | 0.092 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.7 | 176 | -60.1 | 176.1 | 0 | 0 | 0 | 110.7 | N6 L8 E9 S389 D391 R395 | N6-I393 HydrophobicContact CB-CG2 3.91Å; L8-I393 CarbonylContact O-C 3.54Å; L8-I393 WeakPolarHBondContact O-CA 3.35Å; E9-I393 HydrophobicContact CB-CG1 4.17Å; E9-I393 HydrophobicContact CG-CG1 3.92Å; S389-I393 PolarHBondContact OG-O 3.22Å; D391-I393 VanDerWaalsContact C-N 3.32Å; D391-I393 HydrophobicContact CB-CD1 4.34Å; D391-I393 HydrophobicContact CB-CG1 4.34Å; D391-I393 WeakPolarHBondContact OD1-CB 3.39Å; D391-I393 PolarHBondContact OD1-N 3.39Å; I393-R395 HydrophobicContact CG2-CG 3.74Å |
| 394 | L | 85.9 | Confident | 73.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 120.4 | 166.8 | -177.6 | 63.9 | 0 | 0 | 0 | 109 | L7 L8 I18 V27 L29 L386 W388 | L7-L394 HydrophobicContact CB-CD2 4.47Å; L7-L394 HydrophobicContact CB-CG 4.46Å; L7-L394 PolarHBondContact N-O 3.03Å; L8-L394 HydrophobicContact CB-CB 4.17Å; L8-L394 PolarHBondContact N-O 2.82Å; L8-L394 PolarHBondContact O-N 2.85Å; I18-L394 HydrophobicContact CD1-CD1 3.49Å; I18-L394 VanDerWaalsContact CD1-CD1 3.49Å; V27-L394 HydrophobicContact CB-CD2 4.48Å; V27-L394 HydrophobicContact CG1-CD2 4.47Å; L29-L394 HydrophobicContact CD1-CD2 4.47Å; L29-L394 HydrophobicContact CD2-CD1 4.31Å; L386-L394 HydrophobicContact CD2-CD1 3.89Å; L386-L394 HydrophobicContact CD2-CG 4.33Å; W388-L394 HydrophobicContact CE3-CB 4.1Å; W388-L394 HydrophobicContact CE3-CD1 4.46Å; W388-L394 HydrophobicContact CZ3-CB 4.15Å |
| 395 | R | 84.8 | Confident | 71 | Confident | 41 Ų | 41 | 50 Ų | 50 | 16% | 0.155 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 148.7 | 178.6 | -59.2 | -174.2 | 170.5 | 95 | -5.5 | 111.6 | T5 N6 L386 T387 S389 D391 I393 Y397 | T5-R395 WeakPolarHBondContact O-CA 3.43Å; N6-R395 PolarHBondContact OD1-NE 3.09Å; L386-R395 WeakPolarHBondContact CA-O 3.47Å; T387-R395 PolarHBondContact N-O 3.01Å; T387-R395 PolarHBondContact O-N 2.91Å; S389-R395 PolarHBondContact OG-NH1 3Å; D391-R395 IonicContact OD1-NH1 2.9Å; D391-R395 PolarHBondContact OD1-NH1 3.37Å; D391-R395 IonicContact OD2-CZ 3.19Å; D391-R395 VanDerWaalsContact OD2-CZ 3.26Å; D391-R395 IonicContact OD2-NH1 3.51Å; D391-R395 PolarHBondContact OD2-NH1 3.05Å; D391-R395 IonicContact OD2-NH2 2.99Å; D391-R395 PolarHBondContact OD2-NH2 2.99Å; I393-R395 HydrophobicContact CG2-CG 3.74Å; R395-Y397 HydrophobicContact CB-CE2 3.83Å; R395-Y397 VanDerWaalsContact CD-OH 3.3Å; R395-Y397 WeakPolarHBondContact CD-OH 3.2Å |
| 396 | V | 82.1 | Confident | 68.2 | Low | 16 Ų | 16 | 56.9 Ų | 56.9 | 10% | 0.097 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 124.5 | 174.3 | 167.7 | 0 | 0 | 0 | 0 | 109.2 | T5 L7 L338 H384 L385 L386 | T5-V396 PolarHBondContact O-N 3.46Å; T5-V396 VanDerWaalsContact O-N 3.16Å; L7-V396 HydrophobicContact CD1-CB 3.74Å; L7-V396 HydrophobicContact CD1-CG2 3.25Å; L338-V396 HydrophobicContact CD2-CG1 4.47Å; L338-V396 HydrophobicContact CD2-CG2 4.37Å; H384-V396 HydrophobicContact CB-CG1 3.56Å; L385-V396 WeakPolarHBondContact O-CA 3.44Å; L386-V396 HydrophobicContact CD2-CG2 3.32Å; L386-V396 HydrophobicContact CG-CG2 4.01Å |
| 397 | Y | 79.4 | Confident | 65.4 | Low | 67 Ų | 67 | 63.5 Ų | 63.5 | 26% | 0.263 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 114.7 | 176.2 | -58.6 | -87.1 | 0 | 0 | 0 | 109.1 | H384 L385 T387 R395 I399 | H384-Y397 CarbonylContact C-O 3.3Å; H384-Y397 WeakPolarHBondContact CA-O 3.25Å; H384-Y397 WeakPolarHBondContact CB-O 3.34Å; L385-Y397 PolarHBondContact N-O 2.99Å; L385-Y397 PolarHBondContact O-N 2.79Å; T387-Y397 HydrophobicContact CG2-CD2 4.03Å; T387-Y397 HydrophobicContact CG2-CE2 3.83Å; T387-Y397 WeakPolarHBondContact OG1-CE2 3.47Å; R395-Y397 HydrophobicContact CB-CE2 3.83Å; R395-Y397 VanDerWaalsContact CD-OH 3.3Å; R395-Y397 WeakPolarHBondContact CD-OH 3.2Å; Y397-I399 PolarHBondContact O-N 2.89Å |
| 398 | P | 70.1 | Confident | 62.5 | Low | 62 Ų | 62 | 70.1 Ų | 70.1 | 40% | 0.403 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 130.5 | 170.6 | 27.8 | -32.6 | 0 | 0 | 0 | 109.7 | H384 | H384-P398 WeakPolarHBondContact ND1-CA 3.48Å |
| 399 | I | 68.8 | Low | 59.6 | Low | 7 Ų | 7 | 76.8 Ų | 76.8 | 4% | 0.036 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 102.6 | 177.3 | -64.7 | -170.2 | 0 | 0 | 0 | 108.3 | I247 L274 F275 W337 V383 L385 Y397 F401 | I247-I399 HydrophobicContact CD1-CD1 4.11Å; L274-I399 HydrophobicContact CD2-CG2 4.11Å; F275-I399 HydrophobicContact CE1-CD1 4.48Å; W337-I399 HydrophobicContact CH2-CD1 3.82Å; W337-I399 HydrophobicContact CZ3-CD1 3.89Å; V383-I399 PolarHBondContact O-N 3.43Å; L385-I399 HydrophobicContact CB-CD1 3.88Å; Y397-I399 PolarHBondContact O-N 2.89Å; I399-F401 HydrophobicContact CG2-CD1 4.32Å; I399-F401 HydrophobicContact CG2-CE1 3.79Å; I399-F401 HydrophobicContact CG2-CZ 4.06Å; I399-F401 PolarHBondContact O-N 3.07Å |
| 400 | H | 59.3 | Low | 56.8 | Low | 128 Ų | 128 | 85 Ų | 85 | 59% | 0.593 | 44% | 0.438 | S | S | * | . | trans | -89.9 | 103 | 177.9 | -64.9 | -56.5 | 0 | 0 | 0 | 109.9 | K402 | H400-K402 PolarHBondContact O-N 3.24Å; H400-K402 VanDerWaalsContact O-N 3.08Å | ||
| 401 | F | 54.8 | Low | 54.3 | Low | 58 Ų | 58 | 86.4 Ų | 86.4 | 25% | 0.254 | 45% | 0.454 | S | S | . | . | trans | -63.5 | 110.6 | 168.5 | -50.5 | -67 | 0 | 0 | 0 | 109.1 | T240 S242 L274 V383 I399 S403 | T240-F401 HydrophobicContact CG2-CE1 3.96Å; T240-F401 HydrophobicContact CG2-CZ 4.44Å; S242-F401 WeakPolarHBondContact OG-CE1 3.44Å; L274-F401 HydrophobicContact CD2-CD1 4.32Å; V383-F401 HydrophobicContact CB-CE2 3.82Å; V383-F401 HydrophobicContact CB-CZ 4.28Å; V383-F401 HydrophobicContact CG1-CE2 4.17Å; V383-F401 HydrophobicContact CG1-CZ 4.14Å; V383-F401 HydrophobicContact CG2-CE2 3.93Å; I399-F401 HydrophobicContact CG2-CD1 4.32Å; I399-F401 HydrophobicContact CG2-CE1 3.79Å; I399-F401 HydrophobicContact CG2-CZ 4.06Å; I399-F401 PolarHBondContact O-N 3.07Å; F401-S403 VanDerWaalsContact C-N 3.35Å; F401-S403 PolarHBondContact O-N 3.14Å | ||
| 402 | K | 42.4 | Very low | 51.6 | Low | 131 Ų | 131 | 92.3 Ų | 92.3 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | trans | -66.8 | 102.1 | 157.5 | -81.1 | 175.4 | -174.9 | 155.5 | 0 | 106.3 | H400 I404 | H400-K402 PolarHBondContact O-N 3.24Å; H400-K402 VanDerWaalsContact O-N 3.08Å; K402-I404 PolarHBondContact O-N 3.19Å | ||
| 403 | S | 32.5 | Very low | 49 | Very low | 112 Ų | 112 | 97 Ų | 97 | 78% | 0.783 | 51% | 0.509 | S | S | * | . | trans | -62.2 | 91.3 | 162 | 55.1 | 0 | 0 | 0 | 0 | 107.6 | F401 S405 | F401-S403 VanDerWaalsContact C-N 3.35Å; F401-S403 PolarHBondContact O-N 3.14Å; S403-S405 PolarHBondContact O-N 2.7Å | ||
| 404 | I | 29 | Very low | 46.3 | Very low | 138 Ų | 138 | 102.7 Ų | 102.7 | 71% | 0.708 | 54% | 0.54 | S | S | * | . | trans | -66.7 | 94 | 168 | -60.3 | 177.9 | 0 | 0 | 0 | 105.5 | K402 L406 | K402-I404 PolarHBondContact O-N 3.19Å; I404-L406 HydrophobicContact CG2-CG 4.5Å; I404-L406 PolarHBondContact O-N 3.2Å | ||
| 405 | S | 25.7 | Very low | 43.9 | Very low | 84 Ų | 84 | 111.9 Ų | 111.9 | 59% | 0.587 | 58% | 0.583 | S | S | * | * | trans | -60.8 | 103.7 | 163.7 | 52.7 | 0 | 0 | 0 | 0 | 106.8 | S403 H407 | S403-S405 PolarHBondContact O-N 2.7Å; S405-H407 PolarHBondContact O-N 3.19Å | ||
| 406 | L | 27.8 | Very low | 41.2 | Very low | 145 Ų | 145 | 114.2 Ų | 114.2 | 76% | 0.759 | 61% | 0.611 | S | S | * | * | trans | -70.7 | 60.6 | 161 | -76.2 | 166 | 0 | 0 | 0 | 108.8 | I404 D408 | I404-L406 HydrophobicContact CG2-CG 4.5Å; I404-L406 PolarHBondContact O-N 3.2Å; L406-D408 VanDerWaalsContact C-N 3.34Å; L406-D408 PolarHBondContact O-N 3.11Å | ||
| 407 | H | 28.3 | Very low | 38.8 | Very low | 140 Ų | 140 | 120.1 Ų | 120.1 | 65% | 0.648 | 64% | 0.642 | S | S | * | * | trans | -71.1 | 103.4 | 140.5 | -83 | -66.8 | 0 | 0 | 0 | 105.2 | S405 N409 | S405-H407 PolarHBondContact O-N 3.19Å; H407-N409 PolarHBondContact O-N 3Å; H407-N409 PolarHBondContact O-ND2 2.77Å | ||
| 408 | D | 27.6 | Very low | 36.4 | Very low | 138 Ų | 138 | 124.7 Ų | 124.7 | 74% | 0.738 | 66% | 0.663 | S | S | * | * | trans | -62.4 | 85.7 | 161 | -71.2 | -43 | 0 | 0 | 0 | 107.8 | L406 E410 | L406-D408 VanDerWaalsContact C-N 3.34Å; L406-D408 PolarHBondContact O-N 3.11Å; D408-E410 PolarHBondContact O-N 3.13Å | ||
| 409 | N | 28.5 | Very low | 34.5 | Very low | 140 Ų | 140 | 131.4 Ų | 131.4 | 75% | 0.749 | 69% | 0.689 | S | S | * | * | trans | -75.2 | 58.3 | 171.6 | -72 | -67 | 0 | 0 | 0 | 109.2 | H407 P411 | H407-N409 PolarHBondContact O-N 3Å; H407-N409 PolarHBondContact O-ND2 2.77Å; N409-P411 WeakPolarHBondContact O-CD 3.45Å | ||
| 410 | E | 28.6 | Very low | 32.6 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | trans | -63.6 | 122.7 | 156.2 | -78.5 | -146.3 | 127.1 | 0 | 0 | 107.7 | D408 L412 | D408-E410 PolarHBondContact O-N 3.13Å; E410-L412 PolarHBondContact O-N 3.35Å | ||
| 411 | P | 33 | Very low | 31.2 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | trans | -72.2 | 106.5 | -177.5 | 28.3 | -33.2 | 0 | 0 | 0 | 109.8 | N409 L413 | N409-P411 WeakPolarHBondContact O-CD 3.45Å; P411-L413 PolarHBondContact O-N 3.05Å | ||
| 412 | L | 26.3 | Very low | 30 | Very low | 171 Ų | 171 | 146 Ų | 146 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | trans | -60 | 88.5 | 172.3 | -78.7 | 170 | 0 | 0 | 0 | 111.9 | E410 | E410-L412 PolarHBondContact O-N 3.35Š| ||
| 413 | L | 28.6 | Very low | 29.5 | Very low | 143 Ų | 143 | 145.9 Ų | 145.9 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | -163 | 140.3 | 143.3 | -135.7 | 67.8 | 0 | 0 | 0 | 114.8 | P411 | P411-L413 PolarHBondContact O-N 3.05Š| ||
| 414 | N | 29.5 | Very low | 29.3 | Very low | 139 Ų | 139 | 148.4 Ų | 148.4 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | 79.4 | 152.6 | 162.5 | -53.6 | -47 | 0 | 0 | 0 | 119.2 | ||||
| 415 | Q | 34.1 | Very low | 29.5 | Very low | 193 Ų | 193 | 147.2 Ų | 147.2 | 90% | 0.902 | 75% | 0.751 | S | S | * | * | trans | 68.4 | 73.3 | 168.3 | -60 | -173.5 | 4.6 | 0 | 0 | 117.3 | ||||
| 416 | A | 29.4 | Very low | 29.8 | Very low | 90 Ų | 90 | 151.5 Ų | 151.5 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | trans | -59.3 | 162.2 | 146.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 417 | N | 30.4 | Very low | 30.1 | Very low | 139 Ų | 139 | 148.3 Ų | 148.3 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | 79 | 93.5 | 164.9 | -64.9 | -31.2 | 0 | 0 | 0 | 120.3 | ||||
| 418 | K | 28.8 | Very low | 30.4 | Very low | 164 Ų | 164 | 148.7 Ų | 148.7 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | 66.7 | 91.3 | 116.4 | -77.4 | 178.3 | 177.2 | 170.7 | 0 | 119.9 | T420 | K418-T420 VanDerWaalsContact C-OG1 3.25Å; K418-T420 WeakPolarHBondContact CB-OG1 3.27Å; K418-T420 PolarHBondContact O-OG1 2.81Å | |||
| 419 | Q | 30.7 | Very low | 30.7 | Very low | 202 Ų | 202 | 148.1 Ų | 148.1 | 94% | 0.944 | 75% | 0.748 | S | S | * | * | trans | -117.5 | 114.1 | 130.8 | -63.6 | -175.9 | 10.9 | 0 | 0 | 106.8 | ||||
| 420 | T | 28.9 | Very low | 30.9 | Very low | 106 Ų | 106 | 147.3 Ų | 147.3 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | cis | 86.1 | 72.3 | 18.5 | -34.5 | 0 | 0 | 0 | 0 | 115.9 | K418 | K418-T420 VanDerWaalsContact C-OG1 3.25Å; K418-T420 WeakPolarHBondContact CB-OG1 3.27Å; K418-T420 PolarHBondContact O-OG1 2.81Å | ||
| 421 | R | 30.3 | Very low | 31.1 | Very low | 240 Ų | 240 | 145.7 Ų | 145.7 | 91% | 0.906 | 74% | 0.739 | S | S | * | * | trans | -173.8 | 102 | 152.3 | -96.9 | 161 | -168.4 | -170.2 | 4 | 104.2 | ||||
| 422 | I | 30 | Very low | 31.1 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 80% | 0.795 | 73% | 0.732 | S | S | * | * | S | Bend | cis | -154.7 | 142.6 | 43.9 | -88.8 | 165.1 | 0 | 0 | 0 | 108.2 | ||
| 423 | I | 30.5 | Very low | 31.5 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 66% | 0.656 | 72% | 0.718 | S | S | * | * | cis | -165.1 | 146.1 | -13.7 | -145.2 | 176.2 | 0 | 0 | 0 | 109.9 | ||||
| 424 | K | 28.7 | Very low | 31.7 | Very low | 165 Ų | 165 | 143.3 Ų | 143.3 | 72% | 0.717 | 71% | 0.714 | S | S | * | * | trans | 61.8 | 143.2 | 165.4 | -66.7 | 170.8 | 162.4 | -115.5 | 0 | 118.1 | ||||
| 425 | E | 33 | Very low | 31.8 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 52% | 0.523 | 72% | 0.719 | S | S | . | * | cis | -158.7 | 138.6 | 2 | -125.5 | 168.2 | -119 | 0 | 0 | 110.9 | ||||
| 426 | K | 33 | Very low | 31.5 | Very low | 174 Ų | 174 | 139.7 Ų | 139.7 | 76% | 0.757 | 71% | 0.708 | S | S | * | * | trans | 62.6 | 151.3 | 161.7 | -60.3 | 148.4 | -179 | 156.8 | 0 | 117.7 | ||||
| 427 | S | 34.3 | Very low | 31.7 | Very low | 79 Ų | 79 | 142.2 Ų | 142.2 | 55% | 0.552 | 71% | 0.714 | S | S | * | * | cis | -167.4 | 120.2 | -23.9 | 46.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 428 | E | 33.8 | Very low | 31.5 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 69% | 0.687 | 72% | 0.718 | S | S | * | * | trans | 66.9 | 172.6 | 140.7 | -71 | 62.9 | -81.5 | 0 | 0 | 116 | ||||
| 429 | D | 34.7 | Very low | 31.5 | Very low | 126 Ų | 126 | 145 Ų | 145 | 67% | 0.674 | 73% | 0.727 | S | S | * | * | cis | -169.9 | 167.2 | -18.9 | -96.4 | -2 | 0 | 0 | 0 | 107.8 | ||||
| 430 | L | 32.9 | Very low | 31.4 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 64% | 0.644 | 72% | 0.722 | S | S | * | * | cis | -169.4 | 141.1 | -10.1 | -104.2 | 168.1 | 0 | 0 | 0 | 111.1 | ||||
| 431 | L | 33.1 | Very low | 31.8 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | 65.9 | 161.6 | 147.9 | -53.4 | -178.1 | 0 | 0 | 0 | 121.4 | ||||
| 432 | D | 32 | Very low | 31.8 | Very low | 121 Ų | 121 | 140 Ų | 140 | 65% | 0.647 | 72% | 0.718 | S | S | * | * | cis | -159.9 | -178.9 | -16.4 | -126.4 | -27.1 | 0 | 0 | 0 | 114.3 | ||||
| 433 | D | 34.3 | Very low | 31.7 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 59% | 0.594 | 71% | 0.714 | S | S | * | * | trans | 79.9 | 118.1 | 154.2 | -82.7 | 12.4 | 0 | 0 | 0 | 120.6 | ||||
| 434 | K | 34.1 | Very low | 31.6 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | 83.6 | 144.5 | 68.6 | -74.9 | -176.1 | -163.9 | 77.3 | 0 | 112.2 | |||||
| 435 | L | 30.3 | Very low | 31.8 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | cis | -153.4 | -178.2 | 17.6 | -128.1 | 161.1 | 0 | 0 | 0 | 111.6 | ||||
| 436 | S | 28.7 | Very low | 31.7 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 66% | 0.664 | 73% | 0.732 | S | S | * | * | trans | -129.8 | 159.2 | -168.3 | 60.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 437 | T | 32.4 | Very low | 31.8 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 88% | 0.877 | 74% | 0.74 | S | S | * | * | trans | -161.7 | 149.1 | 147.3 | 16.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 438 | N | 27 | Very low | 31.6 | Very low | 154 Ų | 154 | 146.1 Ų | 146.1 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | -106.5 | 163.2 | 176.5 | -67.5 | -44.9 | 0 | 0 | 0 | 112.3 | ||||
| 439 | F | 29.2 | Very low | 31.5 | Very low | 208 Ų | 208 | 149.6 Ų | 149.6 | 91% | 0.912 | 77% | 0.768 | S | S | * | * | trans | -146.1 | 157.1 | 147.5 | -98.5 | -74.2 | 0 | 0 | 0 | 111.8 | ||||
| 440 | N | 27.9 | Very low | 31.4 | Very low | 154 Ų | 154 | 146.3 Ų | 146.3 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | -149.4 | -177.3 | -171 | -130 | -13.9 | 0 | 0 | 0 | 110.2 | ||||
| 441 | P | 38.3 | Very low | 31.2 | Very low | 103 Ų | 103 | 148.6 Ų | 148.6 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | trans | -122.2 | -170.5 | -136.9 | 38.8 | -19.1 | 0 | 0 | 0 | 114.8 | ||||
| 442 | K | 28.8 | Very low | 31.2 | Very low | 185 Ų | 185 | 146.1 Ų | 146.1 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 167.7 | 137.6 | 139.2 | -95.8 | 165.9 | -179.2 | -179.9 | 0 | 117.7 | ||||
| 443 | T | 28.5 | Very low | 31.4 | Very low | 117 Ų | 117 | 145.7 Ų | 145.7 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | trans | 61.8 | 153.1 | 140.7 | 65 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 444 | N | 27.6 | Very low | 31.2 | Very low | 132 Ų | 132 | 146.5 Ų | 146.5 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | cis | 178.8 | 170 | 36.6 | -137.9 | -14.5 | 0 | 0 | 0 | 114.5 | ||||
| 445 | Q | 34 | Very low | 31.2 | Very low | 174 Ų | 174 | 144.3 Ų | 144.3 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | 85.6 | 170.3 | 150.6 | -71.7 | 176.1 | 32.4 | 0 | 0 | 124.2 | ||||
| 446 | S | 30 | Very low | 31.1 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -158.7 | 167 | -139.5 | 59.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 447 | K | 36 | Very low | 31.2 | Very low | 215 Ų | 215 | 143.8 Ų | 143.8 | 94% | 0.935 | 79% | 0.791 | S | S | * | * | trans | -163.7 | 170.8 | 158 | -110.8 | 154.8 | -172.1 | 174.9 | 0 | 115.7 | ||||
| 448 | K | 30.5 | Very low | 31.2 | Very low | 197 Ų | 197 | 143.4 Ų | 143.4 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | trans | -136.9 | 155.6 | -169.5 | -85.2 | -171.6 | 172.6 | -173.7 | 0 | 114.7 | ||||
| 449 | F | 31.3 | Very low | 31.3 | Very low | 220 Ų | 220 | 145.2 Ų | 145.2 | 97% | 0.965 | 78% | 0.784 | S | S | * | * | trans | -178 | 163.7 | 141.6 | -89.6 | -59.7 | 0 | 0 | 0 | 109.6 | ||||
| 450 | G | 31.8 | Very low | 31.7 | Very low | 58 Ų | 58 | 140.3 Ų | 140.3 | 60% | 0.598 | 77% | 0.774 | S | S | * | * | cis | 155.6 | 123.2 | -17.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 451 | N | 29.7 | Very low | 31.7 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 91% | 0.914 | 77% | 0.771 | S | S | * | * | trans | 70.8 | 149.2 | 155.2 | -66.9 | 8.1 | 0 | 0 | 0 | 120.4 | ||||
| 452 | A | 32.4 | Very low | 31.1 | Very low | 88 Ų | 88 | 143.3 Ų | 143.3 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | cis | -164.6 | -162.7 | -17.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 453 | P | 36.3 | Very low | 31.2 | Very low | 111 Ų | 111 | 141 Ų | 141 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | -141 | -163.3 | -128.4 | 34.7 | -7 | 0 | 0 | 0 | 119 | |||||
| 454 | T | 30.6 | Very low | 31.1 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | 121.9 | 153.1 | 141.8 | 67.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 455 | S | 33.1 | Very low | 31.1 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | 73.1 | 137.6 | 172 | 71.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 456 | S | 29.2 | Very low | 30.8 | Very low | 99 Ų | 99 | 141.2 Ų | 141.2 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | cis | 119.7 | 122 | -2.3 | 71.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 457 | L | 31.7 | Very low | 30.7 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | -179.3 | 146.6 | 112 | -123.1 | 70.1 | 0 | 0 | 0 | 115.7 | |||||
| 458 | N | 31.8 | Very low | 30.1 | Very low | 135 Ų | 135 | 144 Ų | 144 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | 34.4 | 143.8 | 150.8 | -58 | -21.4 | 0 | 0 | 0 | 124.1 | ||||
| 459 | K | 29.6 | Very low | 30.1 | Very low | 192 Ų | 192 | 137.9 Ų | 137.9 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | cis | 84.1 | 152.2 | 32.7 | -86.4 | -169.5 | 172.5 | 176 | 0 | 116.6 | ||||
| 460 | P | 36.6 | Very low | 30 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | -145.3 | -156.2 | -62.7 | 38.7 | -14.7 | 0 | 0 | 0 | 114.1 | |||||
| 461 | K | 28 | Very low | 29.9 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | trans | 110.9 | 124 | 156.2 | -63.1 | -163 | 174.2 | -177.3 | 0 | 118.7 | ||||
| 462 | I | 26.5 | Very low | 29.9 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | 76.3 | 127.3 | 80.1 | -59.5 | 163.4 | 0 | 0 | 0 | 113.7 | |||||
| 463 | V | 30.5 | Very low | 29.7 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | -172.4 | 146.2 | 101.8 | 159.6 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 464 | D | 25.6 | Very low | 29.5 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -90 | 157.1 | 172.1 | -54.1 | -90.1 | 0 | 0 | 0 | 114.9 | ||||
| 465 | S | 28.4 | Very low | 29.2 | Very low | 112 Ų | 112 | 148.4 Ų | 148.4 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | 157.7 | 122 | 121.8 | -71.5 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 466 | Q | 27.2 | Very low | 29 | Very low | 175 Ų | 175 | 148.8 Ų | 148.8 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | 32.7 | 151.3 | 135.8 | -51.5 | -169.1 | 4.7 | 0 | 0 | 125.6 | ||||
| 467 | L | 27.4 | Very low | 28.9 | Very low | 142 Ų | 142 | 149.2 Ų | 149.2 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | 97.6 | 103.5 | 147.6 | -76.8 | 155.8 | 0 | 0 | 0 | 122.8 | ||||
| 468 | R | 25.2 | Very low | 28.6 | Very low | 239 Ų | 239 | 148.2 Ų | 148.2 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | 47.3 | 137 | 134.1 | -76.3 | -175.4 | 175.2 | -132.3 | 2.6 | 123.7 | ||||
| 469 | G | 29.7 | Very low | 28.5 | Very low | 68 Ų | 68 | 147.3 Ų | 147.3 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | 134.7 | 108.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 470 | E | 29.3 | Very low | 28.6 | Very low | 187 Ų | 187 | 148.2 Ų | 148.2 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | 61.6 | 123.3 | 73.4 | -70.9 | 177.5 | -153.3 | 0 | 0 | 113.3 | |||||
| 471 | D | 30.2 | Very low | 28.1 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 65% | 0.652 | 79% | 0.794 | S | S | * | * | cis | -164.2 | 169.8 | -7.7 | -155.1 | -6.5 | 0 | 0 | 0 | 112.4 | ||||
| 472 | F | 29 | Very low | 28.2 | Very low | 190 Ų | 190 | 145.2 Ų | 145.2 | 83% | 0.833 | 79% | 0.793 | S | S | * | * | trans | 60.1 | 130.6 | 168.9 | -68.7 | -78.6 | 0 | 0 | 0 | 121.3 | ||||
| 473 | G | 28.9 | Very low | 28.4 | Very low | 73 Ų | 73 | 145.3 Ų | 145.3 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -166.6 | -2.5 | -180 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 474 | Q | 30.3 | Very low | 28.1 | Very low | 186 Ų | 186 | 144.3 Ų | 144.3 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | 77.1 | 142.6 | 174.6 | -50.7 | -172.4 | 1.2 | 0 | 0 | 121.1 | ||||
| 475 | R | 25 | Very low | 28.3 | Very low | 238 Ų | 238 | 145.1 Ų | 145.1 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | 67.4 | 102.1 | 162.2 | -74.1 | -174.7 | 170.6 | 178.1 | -2.1 | 121.6 | ||||
| 476 | P | 28.2 | Very low | 28.3 | Very low | 119 Ų | 119 | 144.8 Ų | 144.8 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -131.8 | 161.5 | 148.6 | 39.7 | -27.8 | 0 | 0 | 0 | 115.2 | ||||
| 477 | S | 27.5 | Very low | 28.5 | Very low | 107 Ų | 107 | 145.8 Ų | 145.8 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 38.1 | 134.1 | 148.3 | 62.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 478 | V | 25.9 | Very low | 28.5 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -125.3 | 107.3 | 157 | 178 | 0 | 0 | 0 | 0 | 110 | ||||
| 479 | S | 29.4 | Very low | 28.6 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -150.5 | 110.9 | 165.8 | -54.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 480 | K | 31.1 | Very low | 28.6 | Very low | 212 Ų | 212 | 141.3 Ų | 141.3 | 92% | 0.922 | 80% | 0.8 | S | S | * | * | trans | -84.6 | 130.8 | -173.8 | -75.5 | -177.9 | 178.4 | 175.8 | 0 | 112 | ||||
| 481 | S | 26.4 | Very low | 28.5 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | -123.2 | 139.5 | 161.4 | 58 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 482 | C | 29.9 | Very low | 28.4 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | trans | -160.1 | 140.8 | 172.4 | -94.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 483 | L | 30.8 | Very low | 28.5 | Very low | 142 Ų | 142 | 137 Ų | 137 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | cis | -130.8 | 152.6 | -5.1 | -69.2 | 98.3 | 0 | 0 | 0 | 111.3 | I485 | L483-I485 HydrophobicContact CB-CG1 4.49Å; L483-I485 HydrophobicContact CD2-CD1 4.48Å; L483-I485 HydrophobicContact CD2-CG1 4.45Å | ||
| 484 | S | 25.5 | Very low | 28.6 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -117.7 | 118.9 | 157 | 59.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 485 | I | 29.3 | Very low | 28.9 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -105.5 | 120.6 | 177.4 | -62.6 | 178.9 | 0 | 0 | 0 | 109.4 | L483 | L483-I485 HydrophobicContact CB-CG1 4.49Å; L483-I485 HydrophobicContact CD2-CD1 4.48Å; L483-I485 HydrophobicContact CD2-CG1 4.45Å | ||
| 486 | S | 27.5 | Very low | 29.3 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | -137.6 | 111.4 | 172.5 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 487 | K | 31.7 | Very low | 29.6 | Very low | 195 Ų | 195 | 129.8 Ų | 129.8 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | -164.5 | 103.6 | 161 | -113.4 | 160.9 | -172.8 | 176.1 | 0 | 113.2 | ||||
| 488 | S | 28.4 | Very low | 30.5 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | 31.9 | 115.6 | 135.8 | 60.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 489 | G | 26.9 | Very low | 31.6 | Very low | 71 Ų | 71 | 129.4 Ų | 129.4 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | trans | 148.8 | 125.9 | 144.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 490 | L | 29.5 | Very low | 32.7 | Very low | 166 Ų | 166 | 131.1 Ų | 131.1 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | trans | 62.5 | 99.9 | 151.8 | -54.9 | 174.1 | 0 | 0 | 0 | 119 | ||||
| 491 | N | 26.4 | Very low | 34.2 | Very low | 170 Ų | 170 | 127 Ų | 127 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | trans | 22.4 | 99.6 | 140.7 | -55.7 | -3.1 | 0 | 0 | 0 | 118.8 | ||||
| 492 | A | 29 | Very low | 36.2 | Very low | 100 Ų | 100 | 124.4 Ų | 124.4 | 83% | 0.826 | 73% | 0.728 | S | S | * | * | trans | -147.9 | 159.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 493 | D | 30.8 | Very low | 38.2 | Very low | 139 Ų | 139 | 119.2 Ų | 119.2 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | trans | -70.3 | 141.8 | -167.2 | -82.6 | -74.7 | 0 | 0 | 0 | 115.7 | K495 | D493-K495 PolarHBondContact O-N 2.95Š| ||
| 494 | P | 31.7 | Very low | 40.4 | Very low | 118 Ų | 118 | 116.9 Ų | 116.9 | 77% | 0.766 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 41.4 | -174.7 | 36.2 | -39.3 | 0 | 0 | 0 | 113.7 | ||
| 495 | K | 36.2 | Very low | 42.8 | Very low | 177 Ų | 177 | 117 Ų | 117 | 77% | 0.77 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | -22.4 | -176.2 | -74.8 | -175.7 | 177.2 | 175.2 | 0 | 115.8 | D493 | D493-K495 PolarHBondContact O-N 2.95Š|
| 496 | C | 32.2 | Very low | 45.3 | Very low | 99 Ų | 99 | 112.4 Ų | 112.4 | 67% | 0.669 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -81.2 | -39.9 | -177.6 | -107.6 | 0 | 0 | 0 | 0 | 114.2 | N498 Q499 | C496-N498 PolarHBondContact O-N 2.84Å; C496-Q499 PolarHBondContact O-N 3.02Å |
| 497 | A | 34.8 | Very low | 47.9 | Very low | 70 Ų | 70 | 107.5 Ų | 107.5 | 58% | 0.579 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.1 | -23.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q499 | A497-Q499 VanDerWaalsContact C-N 3.29Å; A497-Q499 PolarHBondContact O-N 2.91Å |
| 498 | N | 46.3 | Very low | 50.2 | Low | 126 Ų | 126 | 99.6 Ų | 99.6 | 67% | 0.674 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -74.9 | -11.2 | -177.5 | -68.7 | -14.8 | 0 | 0 | 0 | 114.3 | C496 | C496-N498 PolarHBondContact O-N 2.84Å |
| 499 | Q | 50.1 | Low | 52.5 | Low | 97 Ų | 97 | 97.7 Ų | 97.7 | 45% | 0.453 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -86.1 | -40.5 | -177.8 | -68.6 | -169.9 | -82.1 | 0 | 0 | 113 | C496 A497 S502 A503 | C496-Q499 PolarHBondContact O-N 3.02Å; A497-Q499 VanDerWaalsContact C-N 3.29Å; A497-Q499 PolarHBondContact O-N 2.91Å; Q499-S502 WeakPolarHBondContact O-CB 3.29Å; Q499-S502 PolarHBondContact O-N 2.73Å; Q499-S502 VanDerWaalsContact O-N 3.11Å; Q499-S502 PolarHBondContact O-OG 3.46Å; Q499-A503 PolarHBondContact O-N 2.93Å; Q499-A503 VanDerWaalsContact O-N 3.11Å |
| 500 | E | 52.9 | Low | 55.1 | Low | 152 Ų | 152 | 95.2 Ų | 95.2 | 71% | 0.71 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.6 | -48.1 | -176.1 | -66.3 | 174 | 174.2 | 0 | 0 | 111.9 | S502 A503 F504 | E500-S502 PolarHBondContact O-N 2.82Å; E500-A503 PolarHBondContact O-N 3.37Å; E500-F504 PolarHBondContact O-N 2.96Å |
| 501 | D | 62.8 | Low | 57.6 | Low | 124 Ų | 124 | 87.6 Ų | 87.6 | 66% | 0.663 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -52.6 | -39.8 | 172.5 | -93.4 | -11.8 | 0 | 0 | 0 | 112.2 | Q505 | D501-Q505 VanDerWaalsContact O-CB 3.27Å; D501-Q505 WeakPolarHBondContact O-CB 3.5Å; D501-Q505 PolarHBondContact O-N 2.84Å |
| 502 | S | 66.7 | Low | 59.9 | Low | 55 Ų | 55 | 83.9 Ų | 83.9 | 39% | 0.385 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -72.1 | -37.4 | -177.5 | 79 | 0 | 0 | 0 | 0 | 112.8 | Q499 E500 F506 | Q499-S502 WeakPolarHBondContact O-CB 3.29Å; Q499-S502 PolarHBondContact O-N 2.73Å; Q499-S502 VanDerWaalsContact O-N 3.11Å; Q499-S502 PolarHBondContact O-OG 3.46Å; E500-S502 PolarHBondContact O-N 2.82Å; S502-F506 WeakPolarHBondContact O-CB 3.37Å; S502-F506 PolarHBondContact O-N 2.78Å |
| 503 | A | 71.9 | Confident | 61.9 | Low | 3 Ų | 3 | 84.6 Ų | 84.6 | 3% | 0.025 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -71.5 | -43.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q499 E500 F506 L507 D676 Y678 | Q499-A503 PolarHBondContact O-N 2.93Å; Q499-A503 VanDerWaalsContact O-N 3.11Å; E500-A503 PolarHBondContact O-N 3.37Å; A503-F506 PolarHBondContact O-N 3.11Å; A503-L507 PolarHBondContact O-N 2.95Å; A503-D676 VanDerWaalsContact CB-O 3.31Å; A503-D676 WeakPolarHBondContact CB-O 3.39Å; A503-Y678 WeakPolarHBondContact CB-O 3.47Å |
| 504 | F | 77.6 | Confident | 63.9 | Low | 94 Ų | 94 | 78.3 Ų | 78.3 | 41% | 0.412 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.6 | -47 | 173.8 | -179.3 | -88.2 | 0 | 0 | 0 | 111.6 | E500 F506 L507 A508 L528 | E500-F504 PolarHBondContact O-N 2.96Å; F504-F506 VanDerWaalsContact C-N 3.32Å; F504-F506 PolarHBondContact O-N 3.19Å; F504-L507 PolarHBondContact O-N 3.05Å; F504-A508 WeakPolarHBondContact O-CB 3.29Å; F504-A508 PolarHBondContact O-N 3.08Å; F504-L528 HydrophobicContact CE2-CB 3.8Å; F504-L528 VanDerWaalsContact CE2-O 3.31Å; F504-L528 WeakPolarHBondContact CE2-O 3.31Å; F504-L528 HydrophobicContact CZ-CB 4Å; F504-L528 HydrophobicContact CZ-CD1 4.45Å |
| 505 | Q | 75.3 | Confident | 65 | Low | 118 Ų | 118 | 75.7 Ų | 75.7 | 55% | 0.551 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.7 | -35.6 | 178.3 | -172.6 | 171.6 | 7 | 0 | 0 | 112.3 | D501 Q509 | D501-Q505 VanDerWaalsContact O-CB 3.27Å; D501-Q505 WeakPolarHBondContact O-CB 3.5Å; D501-Q505 PolarHBondContact O-N 2.84Å; Q505-Q509 WeakPolarHBondContact O-CB 3.45Å; Q505-Q509 PolarHBondContact O-N 3.15Å |
| 506 | F | 82 | Confident | 66.2 | Low | 62 Ų | 62 | 71.9 Ų | 71.9 | 27% | 0.272 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.9 | -47.9 | 174.9 | -170 | -78.7 | 0 | 0 | 0 | 112 | S502 A503 F504 A508 Q509 E510 Y678 P679 | S502-F506 WeakPolarHBondContact O-CB 3.37Å; S502-F506 PolarHBondContact O-N 2.78Å; A503-F506 PolarHBondContact O-N 3.11Å; F504-F506 VanDerWaalsContact C-N 3.32Å; F504-F506 PolarHBondContact O-N 3.19Å; F506-A508 PolarHBondContact O-N 2.69Å; F506-Q509 WeakPolarHBondContact O-CB 3.5Å; F506-Q509 PolarHBondContact O-N 3.22Å; F506-Q509 VanDerWaalsContact O-N 3.14Å; F506-E510 HydrophobicContact CE1-CB 4.39Å; F506-E510 PolarHBondContact O-N 3.11Å; F506-Y678 HydrophobicContact CD1-CE1 4.15Å; F506-Y678 HydrophobicContact CE1-CE1 4.17Å; F506-P679 HydrophobicContact CD1-CB 4.42Å; F506-P679 HydrophobicContact CD1-CG 3.68Å; F506-P679 HydrophobicContact CD2-CG 4.12Å; F506-P679 HydrophobicContact CE1-CB 4.13Å; F506-P679 HydrophobicContact CE1-CG 3.62Å; F506-P679 HydrophobicContact CE2-CG 4.05Å; F506-P679 HydrophobicContact CG-CG 3.94Å; F506-P679 HydrophobicContact CZ-CG 3.82Å |
| 507 | L | 83 | Confident | 67 | Low | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.01 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.8 | -46.4 | -179.9 | 179.1 | 57.8 | 0 | 0 | 0 | 111.5 | A503 F504 Q509 E510 L511 L528 R531 F674 Y678 | A503-L507 PolarHBondContact O-N 2.95Å; F504-L507 PolarHBondContact O-N 3.05Å; L507-Q509 VanDerWaalsContact C-N 3.3Å; L507-Q509 PolarHBondContact O-N 3Å; L507-E510 PolarHBondContact O-N 2.99Å; L507-L511 HydrophobicContact CD1-CD1 3.84Å; L507-L511 HydrophobicContact CD1-CG 4.09Å; L507-L511 HydrophobicContact CG-CD1 4.13Å; L507-L511 WeakPolarHBondContact O-CG 3.25Å; L507-L511 PolarHBondContact O-N 3.43Å; L507-L528 HydrophobicContact CG-CD2 4.43Å; L507-R531 HydrophobicContact CD2-CB 4.2Å; L507-R531 HydrophobicContact CD2-CG 4.45Å; L507-F674 HydrophobicContact CD1-CB 4.16Å; L507-F674 HydrophobicContact CD1-CD1 3.44Å; L507-F674 VanDerWaalsContact CD1-CD1 3.44Å; L507-F674 HydrophobicContact CD1-CD2 3.76Å; L507-F674 HydrophobicContact CD1-CE1 3.61Å; L507-F674 HydrophobicContact CD1-CE2 3.91Å; L507-F674 HydrophobicContact CD1-CG 3.52Å; L507-F674 HydrophobicContact CD1-CZ 3.84Å; L507-F674 HydrophobicContact CD2-CB 3.83Å; L507-F674 HydrophobicContact CD2-CD2 4.23Å; L507-F674 HydrophobicContact CD2-CG 4.02Å; L507-F674 HydrophobicContact CG-CG 4.44Å; L507-Y678 HydrophobicContact CD1-CD1 4.3Å; L507-Y678 HydrophobicContact CD1-CE1 4.31Å |
| 508 | A | 80.5 | Confident | 68.1 | Low | 29 Ų | 29 | 74.8 Ų | 74.8 | 24% | 0.24 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61 | -37.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F504 F506 S512 L528 | F504-A508 WeakPolarHBondContact O-CB 3.29Å; F504-A508 PolarHBondContact O-N 3.08Å; F506-A508 PolarHBondContact O-N 2.69Å; A508-S512 VanDerWaalsContact O-CB 3.27Å; A508-S512 WeakPolarHBondContact O-CB 3.18Å; A508-S512 PolarHBondContact O-N 2.74Å; A508-S512 VanDerWaalsContact O-N 3.13Å; A508-S512 PolarHBondContact O-OG 3.32Å; A508-L528 HydrophobicContact CB-CD1 3.96Å; A508-L528 HydrophobicContact CB-CD2 4.23Å |
| 509 | Q | 75.6 | Confident | 68.8 | Low | 80 Ų | 80 | 69 Ų | 69 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.7 | -49 | 174.7 | 178.9 | 176.3 | -13.4 | 0 | 0 | 111.6 | Q505 F506 L507 S512 L513 | Q505-Q509 WeakPolarHBondContact O-CB 3.45Å; Q505-Q509 PolarHBondContact O-N 3.15Å; F506-Q509 WeakPolarHBondContact O-CB 3.5Å; F506-Q509 PolarHBondContact O-N 3.22Å; F506-Q509 VanDerWaalsContact O-N 3.14Å; L507-Q509 VanDerWaalsContact C-N 3.3Å; L507-Q509 PolarHBondContact O-N 3Å; Q509-S512 PolarHBondContact O-N 2.89Å; Q509-S512 PolarHBondContact O-OG 3.32Å; Q509-L513 HydrophobicContact CG-CD1 4.08Å; Q509-L513 WeakPolarHBondContact O-CG 3.39Å; Q509-L513 PolarHBondContact O-N 2.82Å |
| 510 | E | 81.9 | Confident | 69.9 | Low | 18 Ų | 18 | 66.7 Ų | 66.7 | 8% | 0.084 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.4 | -48.1 | -178.1 | -179.2 | 169.4 | -170.8 | 0 | 0 | 112.3 | F506 L507 S512 L513 Y678 G721 C722 V723 | F506-E510 HydrophobicContact CE1-CB 4.39Å; F506-E510 PolarHBondContact O-N 3.11Å; L507-E510 PolarHBondContact O-N 2.99Å; E510-S512 VanDerWaalsContact C-N 3.26Å; E510-S512 PolarHBondContact O-N 3.06Å; E510-L513 WeakPolarHBondContact O-CB 3.38Å; E510-L513 PolarHBondContact O-N 2.08Å; E510-Y678 VanDerWaalsContact CD-OH 3.3Å; E510-Y678 PolarHBondContact OE1-OH 3.13Å; E510-Y678 VanDerWaalsContact OE2-CE1 3.27Å; E510-Y678 WeakPolarHBondContact OE2-CE1 3.43Å; E510-Y678 VanDerWaalsContact OE2-CZ 3.31Å; E510-Y678 PolarHBondContact OE2-OH 2.99Å; E510-G721 WeakPolarHBondContact OE1-CA 3.31Å; E510-G721 WeakPolarHBondContact OE2-CA 3.5Å; E510-C722 PolarHBondContact OE1-N 2.86Å; E510-V723 HydrophobicContact CG-CB 4.43Å; E510-V723 HydrophobicContact CG-CG2 4.38Å; E510-V723 WeakPolarHBondContact OE1-CB 3.29Å; E510-V723 WeakPolarHBondContact OE1-CG2 3.24Å; E510-V723 PolarHBondContact OE1-N 3.01Å |
| 511 | L | 81.7 | Confident | 71.4 | Confident | 7 Ų | 7 | 59.7 Ų | 59.7 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.3 | -32.6 | 178.6 | -63.8 | 176 | 0 | 0 | 0 | 111.7 | L507 L513 L514 M526 L528 A533 F674 | L507-L511 HydrophobicContact CD1-CD1 3.84Å; L507-L511 HydrophobicContact CD1-CG 4.09Å; L507-L511 HydrophobicContact CG-CD1 4.13Å; L507-L511 WeakPolarHBondContact O-CG 3.25Å; L507-L511 PolarHBondContact O-N 3.43Å; L511-L513 VanDerWaalsContact C-N 3.25Å; L511-L513 PolarHBondContact O-N 3.41Å; L511-L514 HydrophobicContact CD2-CD1 3.77Å; L511-L514 WeakPolarHBondContact O-CB 3.27Å; L511-L514 PolarHBondContact O-N 2.9Å; L511-M526 HydrophobicContact CB-SD 3.7Å; L511-M526 HydrophobicContact CD1-CG 3.91Å; L511-M526 HydrophobicContact CD1-SD 3.73Å; L511-M526 HydrophobicContact CG-SD 4.35Å; L511-L528 HydrophobicContact CD1-CD2 4.1Å; L511-A533 HydrophobicContact CD1-CB 4.27Å; L511-A533 HydrophobicContact CD2-CB 4.23Å; L511-F674 HydrophobicContact CD1-CE2 4.39Å; L511-F674 HydrophobicContact CD2-CE2 4.37Å; L511-F674 HydrophobicContact CD2-CZ 4.06Å |
| 512 | S | 74.8 | Confident | 72.3 | Confident | 92 Ų | 92 | 58 Ų | 58 | 64% | 0.643 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -69.3 | -17.3 | 173.4 | 79.1 | 0 | 0 | 0 | 0 | 114.8 | A508 Q509 E510 | A508-S512 VanDerWaalsContact O-CB 3.27Å; A508-S512 WeakPolarHBondContact O-CB 3.18Å; A508-S512 PolarHBondContact O-N 2.74Å; A508-S512 VanDerWaalsContact O-N 3.13Å; A508-S512 PolarHBondContact O-OG 3.32Å; Q509-S512 PolarHBondContact O-N 2.89Å; Q509-S512 PolarHBondContact O-OG 3.32Å; E510-S512 VanDerWaalsContact C-N 3.26Å; E510-S512 PolarHBondContact O-N 3.06Å |
| 513 | L | 71.1 | Confident | 73.1 | Confident | 114 Ų | 114 | 57 Ų | 57 | 60% | 0.597 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -8.6 | 178.3 | -70.7 | 167.6 | 0 | 0 | 0 | 113 | Q509 E510 L511 S515 | Q509-L513 HydrophobicContact CG-CD1 4.08Å; Q509-L513 WeakPolarHBondContact O-CG 3.39Å; Q509-L513 PolarHBondContact O-N 2.82Å; E510-L513 WeakPolarHBondContact O-CB 3.38Å; E510-L513 PolarHBondContact O-N 2.08Å; L511-L513 VanDerWaalsContact C-N 3.25Å; L511-L513 PolarHBondContact O-N 3.41Å; L513-S515 PolarHBondContact O-N 2.93Å |
| 514 | L | 72.2 | Confident | 73.6 | Confident | 7 Ų | 7 | 60.2 Ų | 60.2 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | trans | -68.6 | 92.9 | 178 | -70.1 | 175.2 | 0 | 0 | 0 | 111.5 | L511 H516 Y521 L535 V723 E724 I727 | L511-L514 HydrophobicContact CD2-CD1 3.77Å; L511-L514 WeakPolarHBondContact O-CB 3.27Å; L511-L514 PolarHBondContact O-N 2.9Å; L514-H516 PolarHBondContact O-N 2.88Å; L514-H516 PolarHBondContact O-ND1 3.31Å; L514-H516 VanDerWaalsContact O-ND1 3.09Å; L514-Y521 VanDerWaalsContact C-OH 3.29Å; L514-Y521 WeakPolarHBondContact CA-OH 3.32Å; L514-Y521 HydrophobicContact CB-CE2 4.06Å; L514-Y521 HydrophobicContact CD2-CE2 4.33Å; L514-L535 HydrophobicContact CD1-CD2 4.29Å; L514-V723 HydrophobicContact CD1-CG1 3.98Å; L514-V723 HydrophobicContact CD2-CG1 4.17Å; L514-E724 HydrophobicContact CD2-CB 3.93Å; L514-I727 HydrophobicContact CD2-CD1 4.01Å | ||
| 515 | S | 56.4 | Low | 73.9 | Confident | 63 Ų | 63 | 61 Ų | 61 | 44% | 0.441 | 31% | 0.308 | S | S | . | . | trans | -71.9 | 117.8 | -171.8 | 88.6 | 0 | 0 | 0 | 0 | 112.8 | L513 R517 Y521 | L513-S515 PolarHBondContact O-N 2.93Å; S515-R517 PolarHBondContact O-N 2.87Å; S515-Y521 PolarHBondContact N-OH 2.68Å; S515-Y521 VanDerWaalsContact N-OH 3.12Å; S515-Y521 PolarHBondContact O-OH 3.33Å | ||
| 516 | H | 60.4 | Low | 74.3 | Confident | 97 Ų | 97 | 59.7 Ų | 59.7 | 45% | 0.449 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 17.1 | 176.1 | -69.8 | 42 | 0 | 0 | 0 | 114.1 | L514 Y548 | L514-H516 PolarHBondContact O-N 2.88Å; L514-H516 PolarHBondContact O-ND1 3.31Å; L514-H516 VanDerWaalsContact O-ND1 3.09Å; H516-Y548 WeakPolarHBondContact CA-OH 3.23Å; H516-Y548 WeakPolarHBondContact CB-OH 3.21Å; H516-Y548 PolarHBondContact O-OH 3.32Å |
| 517 | R | 49.2 | Very low | 74.5 | Confident | 194 Ų | 194 | 59.3 Ų | 59.3 | 73% | 0.732 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -14.7 | -174.7 | -71.2 | -176 | 172.5 | -177.8 | -2.7 | 114 | S515 | S515-R517 PolarHBondContact O-N 2.87Š|
| 518 | A | 57.4 | Low | 74.4 | Confident | 37 Ų | 37 | 61.2 Ų | 61.2 | 31% | 0.306 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -76.7 | -21.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q520 Y521 | A518-Q520 HydrophobicContact CB-CB 4.49Å; A518-Q520 PolarHBondContact O-N 2.87Å; A518-Y521 HydrophobicContact CB-CE1 4.35Å |
| 519 | G | 62.1 | Low | 74.3 | Confident | 4 Ų | 4 | 66.3 Ų | 66.3 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | S | Bend | trans | 69.1 | -17.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y521 | G519-Y521 VanDerWaalsContact C-N 3.32Å; G519-Y521 PolarHBondContact O-N 2.62Å |
| 520 | Q | 73.3 | Confident | 74.7 | Confident | 48 Ų | 48 | 68 Ų | 68 | 22% | 0.224 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -72.7 | -17.1 | -178.6 | -69.4 | 173.8 | -47 | 0 | 0 | 114.3 | A518 F538 V731 | A518-Q520 HydrophobicContact CB-CB 4.49Å; A518-Q520 PolarHBondContact O-N 2.87Å; Q520-F538 PolarHBondContact O-N 3.05Å; Q520-V731 HydrophobicContact CG-CG1 4.48Å |
| 521 | Y | 82.9 | Confident | 74.9 | Confident | 5 Ų | 5 | 68.3 Ų | 68.3 | 2% | 0.02 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 149.6 | 176.3 | 66.9 | -86 | 0 | 0 | 0 | 111.6 | L514 S515 A518 G519 L535 I536 Y548 E724 I727 | L514-Y521 VanDerWaalsContact C-OH 3.29Å; L514-Y521 WeakPolarHBondContact CA-OH 3.32Å; L514-Y521 HydrophobicContact CB-CE2 4.06Å; L514-Y521 HydrophobicContact CD2-CE2 4.33Å; S515-Y521 PolarHBondContact N-OH 2.68Å; S515-Y521 VanDerWaalsContact N-OH 3.12Å; S515-Y521 PolarHBondContact O-OH 3.33Å; A518-Y521 HydrophobicContact CB-CE1 4.35Å; G519-Y521 VanDerWaalsContact C-N 3.32Å; G519-Y521 PolarHBondContact O-N 2.62Å; Y521-L535 HydrophobicContact CD2-CD2 4.02Å; Y521-I536 CarbonylContact C-O 3.59Å; Y521-I536 WeakPolarHBondContact CA-O 3.3Å; Y521-Y548 WeakPolarHBondContact O-CE1 3.34Å; Y521-E724 PolarHBondContact OH-OE2 2.85Å; Y521-I727 HydrophobicContact CD1-CG2 3.58Å; Y521-I727 HydrophobicContact CD2-CD1 4.39Å; Y521-I727 HydrophobicContact CE1-CG2 4.15Å; Y521-I727 HydrophobicContact CE2-CD1 4.49Å; Y521-I727 HydrophobicContact CG-CG2 3.88Å |
| 522 | K | 81.7 | Confident | 75.3 | Confident | 89 Ų | 89 | 70 Ų | 70 | 39% | 0.387 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.8 | 174.1 | -172.8 | -165.7 | 171.3 | -162.2 | 0 | 108.9 | L535 I536 F538 Y548 | K522-L535 CarbonylContact O-C 3.56Å; K522-L535 VanDerWaalsContact O-CA 3.23Å; K522-L535 WeakPolarHBondContact O-CA 3.34Å; K522-I536 HydrophobicContact CB-CB 4.38Å; K522-I536 HydrophobicContact CD-CD1 4.44Å; K522-I536 PolarHBondContact N-O 3.49Å; K522-I536 PolarHBondContact O-N 3.1Å; K522-F538 HydrophobicContact CB-CE2 4.2Å; K522-Y548 HydrophobicContact CB-CD1 3.77Å; K522-Y548 HydrophobicContact CB-CE1 3.6Å; K522-Y548 HydrophobicContact CG-CD1 4.23Å; K522-Y548 HydrophobicContact CG-CE1 4.01Å |
| 523 | L | 84.5 | Confident | 76 | Confident | 33 Ų | 33 | 65.7 Ų | 65.7 | 17% | 0.173 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 126.8 | 163.6 | -175.5 | 63.3 | 0 | 0 | 0 | 107.9 | M526 A533 L535 | L523-M526 HydrophobicContact CD2-CB 4.44Å; L523-A533 HydrophobicContact CD1-CB 4.35Å; L523-L535 HydrophobicContact CD1-CD1 4.45Å; L523-L535 HydrophobicContact CD1-CD2 4.15Å; L523-L535 HydrophobicContact CD1-CG 3.89Å |
| 524 | E | 82.7 | Confident | 76.9 | Confident | 71 Ų | 71 | 62.2 Ų | 62.2 | 33% | 0.332 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | -50.5 | -174.3 | -165.6 | -172.3 | 164.8 | 0 | 0 | 111.3 | K534 I536 | E524-K534 HydrophobicContact CB-CD 4.27Å; E524-K534 HydrophobicContact CB-CG 4.39Å; E524-K534 WeakPolarHBondContact CB-O 3.4Å; E524-K534 VanDerWaalsContact CD-CE 3.46Å; E524-K534 HydrophobicContact CG-CD 4.33Å; E524-K534 PolarHBondContact N-O 2.8Å; E524-K534 IonicContact OE1-NZ 3.32Å; E524-K534 PolarHBondContact OE1-NZ 3.36Å; E524-K534 WeakPolarHBondContact OE2-CD 3.47Å; E524-K534 WeakPolarHBondContact OE2-CE 3.49Å; E524-K534 IonicContact OE2-NZ 2.74Å; E524-K534 PolarHBondContact OE2-NZ 2.99Å; E524-I536 HydrophobicContact CB-CG1 4.49Å; E524-I536 HydrophobicContact CG-CD1 4.49Å; E524-I536 WeakPolarHBondContact OE2-CG1 3.29Å |
| 525 | E | 83.3 | Confident | 77.7 | Confident | 111 Ų | 111 | 61.9 Ų | 61.9 | 52% | 0.519 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 149.4 | 177.4 | -61.2 | 164.3 | -138.4 | 0 | 0 | 109.4 | K534 | E525-K534 HydrophobicContact CB-CB 3.93Å; E525-K534 HydrophobicContact CB-CD 4.26Å; E525-K534 VanDerWaalsContact CD-CD 3.48Å; E525-K534 HydrophobicContact CG-CD 4.03Å; E525-K534 PolarHBondContact N-O 3.04Å; E525-K534 PolarHBondContact O-N 3.09Å; E525-K534 WeakPolarHBondContact OE1-CD 3.31Å; E525-K534 WeakPolarHBondContact OE1-CE 3.46Å; E525-K534 IonicContact OE1-NZ 2.77Å; E525-K534 PolarHBondContact OE1-NZ 2.61Å |
| 526 | M | 84.8 | Confident | 79.2 | Confident | 90 Ų | 90 | 60.2 Ų | 60.2 | 44% | 0.443 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 119.2 | 175.4 | 178.6 | -176 | 74.3 | 0 | 0 | 109 | L511 L523 L528 | L511-M526 HydrophobicContact CB-SD 3.7Å; L511-M526 HydrophobicContact CD1-CG 3.91Å; L511-M526 HydrophobicContact CD1-SD 3.73Å; L511-M526 HydrophobicContact CG-SD 4.35Å; L523-M526 HydrophobicContact CD2-CB 4.44Å; M526-L528 HydrophobicContact CE-CD1 4.09Å; M526-L528 HydrophobicContact CE-CD2 4.43Å; M526-L528 HydrophobicContact CE-CG 4.11Å; M526-L528 HydrophobicContact CG-CD2 4.25Å; M526-L528 HydrophobicContact CG-CG 4.37Å; M526-L528 HydrophobicContact SD-CD2 4.07Å; M526-L528 HydrophobicContact SD-CG 4.34Å |
| 527 | D | 84.8 | Confident | 80.6 | Confident | 54 Ų | 54 | 55.7 Ų | 55.7 | 29% | 0.289 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 104.4 | 175.2 | -170.1 | -25.3 | 0 | 0 | 0 | 109.4 | I529 N530 R531 T532 | D527-I529 VanDerWaalsContact C-N 3.27Å; D527-I529 PolarHBondContact O-N 3.3Å; D527-I529 WeakPolarHBondContact OD1-CA 3.49Å; D527-I529 VanDerWaalsContact OD1-CB 3.32Å; D527-I529 WeakPolarHBondContact OD1-CB 3.3Å; D527-I529 PolarHBondContact OD1-N 2.91Å; D527-N530 HydrophobicContact CB-CB 4.34Å; D527-N530 PolarHBondContact OD1-N 2.85Å; D527-N530 PolarHBondContact OD2-ND2 3.48Å; D527-R531 CarbonylContact O-C 3.48Å; D527-R531 VanDerWaalsContact O-CA 3.26Å; D527-R531 WeakPolarHBondContact O-CA 3.37Å; D527-R531 PolarHBondContact O-N 3.06Å; D527-T532 PolarHBondContact N-O 3.49Å; D527-T532 PolarHBondContact O-N 3.25Å |
| 528 | L | 81 | Confident | 82.4 | Confident | 43 Ų | 43 | 47.8 Ų | 47.8 | 23% | 0.225 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -16.4 | 178 | -63.4 | 174.3 | 0 | 0 | 0 | 112.9 | F504 L507 A508 L511 M526 | F504-L528 HydrophobicContact CE2-CB 3.8Å; F504-L528 VanDerWaalsContact CE2-O 3.31Å; F504-L528 WeakPolarHBondContact CE2-O 3.31Å; F504-L528 HydrophobicContact CZ-CB 4Å; F504-L528 HydrophobicContact CZ-CD1 4.45Å; L507-L528 HydrophobicContact CG-CD2 4.43Å; A508-L528 HydrophobicContact CB-CD1 3.96Å; A508-L528 HydrophobicContact CB-CD2 4.23Å; L511-L528 HydrophobicContact CD1-CD2 4.1Å; M526-L528 HydrophobicContact CE-CD1 4.09Å; M526-L528 HydrophobicContact CE-CD2 4.43Å; M526-L528 HydrophobicContact CE-CG 4.11Å; M526-L528 HydrophobicContact CG-CD2 4.25Å; M526-L528 HydrophobicContact CG-CG 4.37Å; M526-L528 HydrophobicContact SD-CD2 4.07Å; M526-L528 HydrophobicContact SD-CG 4.34Å |
| 529 | I | 78.8 | Confident | 83.7 | Confident | 136 Ų | 136 | 46.4 Ų | 46.4 | 70% | 0.697 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -49.7 | 178.8 | -55 | 176 | 0 | 0 | 0 | 109.3 | D527 R531 | D527-I529 VanDerWaalsContact C-N 3.27Å; D527-I529 PolarHBondContact O-N 3.3Å; D527-I529 WeakPolarHBondContact OD1-CA 3.49Å; D527-I529 VanDerWaalsContact OD1-CB 3.32Å; D527-I529 WeakPolarHBondContact OD1-CB 3.3Å; D527-I529 PolarHBondContact OD1-N 2.91Å; I529-R531 VanDerWaalsContact C-N 3.25Å |
| 530 | N | 82.9 | Confident | 84.8 | Confident | 115 Ų | 115 | 46.6 Ų | 46.6 | 62% | 0.615 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -2.7 | 174.5 | -67.1 | -54.8 | 0 | 0 | 0 | 113.1 | D527 | D527-N530 HydrophobicContact CB-CB 4.34Å; D527-N530 PolarHBondContact OD1-N 2.85Å; D527-N530 PolarHBondContact OD2-ND2 3.48Å |
| 531 | R | 87.7 | Confident | 85 | Confident | 25 Ų | 25 | 46.8 Ų | 46.8 | 9% | 0.094 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 44.6 | 178.4 | -52.9 | 179.5 | 61.9 | 107.2 | -2.1 | 113.5 | L507 D527 I529 F674 P675 D676 | L507-R531 HydrophobicContact CD2-CB 4.2Å; L507-R531 HydrophobicContact CD2-CG 4.45Å; D527-R531 CarbonylContact O-C 3.48Å; D527-R531 VanDerWaalsContact O-CA 3.26Å; D527-R531 WeakPolarHBondContact O-CA 3.37Å; D527-R531 PolarHBondContact O-N 3.06Å; I529-R531 VanDerWaalsContact C-N 3.25Å; R531-F674 HydrophobicContact CB-CB 4.3Å; R531-F674 WeakPolarHBondContact CB-O 3.44Å; R531-F674 PolarHBondContact NE-O 3.13Å; R531-F674 WeakPolarHBondContact O-CD2 3.44Å; R531-F674 PolarHBondContact O-N 2.88Å; R531-P675 PolarHBondContact NH2-O 3.16Å; R531-D676 WeakPolarHBondContact CD-OD1 3.29Å; R531-D676 VanDerWaalsContact CZ-CA 3.41Å; R531-D676 VanDerWaalsContact CZ-O 3.26Å; R531-D676 IonicContact NE-OD1 2.68Å; R531-D676 PolarHBondContact NH1-O 3.27Å; R531-D676 VanDerWaalsContact NH1-O 3.15Å; R531-D676 PolarHBondContact NH2-O 3.18Å |
| 532 | T | 89.2 | Confident | 84.6 | Confident | 41 Ų | 41 | 50.2 Ų | 50.2 | 25% | 0.252 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 153.9 | 179.3 | 65.7 | 0 | 0 | 0 | 0 | 113.1 | D527 I672 E673 | D527-T532 PolarHBondContact N-O 3.49Å; D527-T532 PolarHBondContact O-N 3.25Å; T532-I672 CarbonylContact C-O 3.57Å; T532-I672 VanDerWaalsContact CA-O 3.28Å; T532-I672 WeakPolarHBondContact CA-O 3.25Å; T532-E673 HydrophobicContact CG2-CB 4.46Å; T532-E673 HydrophobicContact CG2-CG 3.95Å |
| 533 | A | 88.9 | Confident | 83.9 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 2% | 0.017 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 136.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L511 L523 L535 S671 I672 F674 | L511-A533 HydrophobicContact CD1-CB 4.27Å; L511-A533 HydrophobicContact CD2-CB 4.23Å; L523-A533 HydrophobicContact CD1-CB 4.35Å; A533-L535 HydrophobicContact CB-CD1 4.33Å; A533-S671 CarbonylContact O-C 3.6Å; A533-S671 WeakPolarHBondContact O-CA 3.42Å; A533-I672 PolarHBondContact N-O 3.4Å; A533-I672 PolarHBondContact O-N 3.2Å; A533-F674 HydrophobicContact CB-CE2 4.14Å |
| 534 | K | 90.2 | Very high | 83.2 | Confident | 42 Ų | 42 | 53.5 Ų | 53.5 | 18% | 0.183 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.5 | -178.6 | -172.5 | -167.4 | -177.2 | -163.5 | 0 | 109.7 | E524 E525 I669 L670 | E524-K534 HydrophobicContact CB-CD 4.27Å; E524-K534 HydrophobicContact CB-CG 4.39Å; E524-K534 WeakPolarHBondContact CB-O 3.4Å; E524-K534 VanDerWaalsContact CD-CE 3.46Å; E524-K534 HydrophobicContact CG-CD 4.33Å; E524-K534 PolarHBondContact N-O 2.8Å; E524-K534 IonicContact OE1-NZ 3.32Å; E524-K534 PolarHBondContact OE1-NZ 3.36Å; E524-K534 WeakPolarHBondContact OE2-CD 3.47Å; E524-K534 WeakPolarHBondContact OE2-CE 3.49Å; E524-K534 IonicContact OE2-NZ 2.74Å; E524-K534 PolarHBondContact OE2-NZ 2.99Å; E525-K534 HydrophobicContact CB-CB 3.93Å; E525-K534 HydrophobicContact CB-CD 4.26Å; E525-K534 VanDerWaalsContact CD-CD 3.48Å; E525-K534 HydrophobicContact CG-CD 4.03Å; E525-K534 PolarHBondContact N-O 3.04Å; E525-K534 PolarHBondContact O-N 3.09Å; E525-K534 WeakPolarHBondContact OE1-CD 3.31Å; E525-K534 WeakPolarHBondContact OE1-CE 3.46Å; E525-K534 IonicContact OE1-NZ 2.77Å; E525-K534 PolarHBondContact OE1-NZ 2.61Å; K534-I669 HydrophobicContact CG-CG2 4.1Å; K534-L670 WeakPolarHBondContact CA-O 3.33Å |
| 535 | L | 89.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 144.4 | -177.5 | -56.3 | 97.9 | 0 | 0 | 0 | 111.9 | L514 Y521 K522 L523 A533 I669 L670 I672 I727 | L514-L535 HydrophobicContact CD1-CD2 4.29Å; Y521-L535 HydrophobicContact CD2-CD2 4.02Å; K522-L535 CarbonylContact O-C 3.56Å; K522-L535 VanDerWaalsContact O-CA 3.23Å; K522-L535 WeakPolarHBondContact O-CA 3.34Å; L523-L535 HydrophobicContact CD1-CD1 4.45Å; L523-L535 HydrophobicContact CD1-CD2 4.15Å; L523-L535 HydrophobicContact CD1-CG 3.89Å; A533-L535 HydrophobicContact CB-CD1 4.33Å; L535-I669 CarbonylContact O-C 3.56Å; L535-I669 WeakPolarHBondContact O-CA 3.47Å; L535-L670 PolarHBondContact N-O 3.32Å; L535-L670 PolarHBondContact O-N 2.77Å; L535-I672 HydrophobicContact CD1-CD1 3.6Å; L535-I672 HydrophobicContact CD1-CG1 4.02Å; L535-I727 HydrophobicContact CD2-CD1 3.76Å |
| 536 | I | 88.7 | Confident | 81.5 | Confident | 27 Ų | 27 | 54.6 Ų | 54.6 | 14% | 0.138 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 112.7 | 169.8 | -48.9 | 179.4 | 0 | 0 | 0 | 108.1 | Y521 K522 E524 F538 I668 I669 | Y521-I536 CarbonylContact C-O 3.59Å; Y521-I536 WeakPolarHBondContact CA-O 3.3Å; K522-I536 HydrophobicContact CB-CB 4.38Å; K522-I536 HydrophobicContact CD-CD1 4.44Å; K522-I536 PolarHBondContact N-O 3.49Å; K522-I536 PolarHBondContact O-N 3.1Å; E524-I536 HydrophobicContact CB-CG1 4.49Å; E524-I536 HydrophobicContact CG-CD1 4.49Å; E524-I536 WeakPolarHBondContact OE2-CG1 3.29Å; I536-F538 HydrophobicContact CB-CE2 4.12Å; I536-F538 HydrophobicContact CB-CZ 4.35Å; I536-F538 HydrophobicContact CG2-CE1 4.32Å; I536-F538 HydrophobicContact CG2-CE2 3.82Å; I536-F538 HydrophobicContact CG2-CZ 3.7Å; I536-F538 WeakPolarHBondContact O-CE2 3.48Å; I536-I668 CarbonylContact C-O 3.54Å; I536-I668 WeakPolarHBondContact CA-O 3.42Å; I536-I669 HydrophobicContact CG1-CG1 4.37Å |
| 537 | L | 88.8 | Confident | 80.6 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 145.1 | 172.8 | -52.8 | -173.3 | 0 | 0 | 0 | 110.3 | S667 I668 L670 I727 A730 | L537-S667 CarbonylContact O-C 3.51Å; L537-S667 WeakPolarHBondContact O-CA 3.38Å; L537-I668 HydrophobicContact CB-CB 4.4Å; L537-I668 PolarHBondContact N-O 3.22Å; L537-I668 PolarHBondContact O-N 3.11Å; L537-L670 HydrophobicContact CD1-CD2 4.29Å; L537-I727 HydrophobicContact CD2-CG1 4.31Å; L537-I727 HydrophobicContact CD2-CG2 3.88Å; L537-A730 HydrophobicContact CD1-CB 4.33Å |
| 538 | F | 87 | Confident | 79.7 | Confident | 29 Ų | 29 | 56.9 Ų | 56.9 | 13% | 0.127 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 125 | 176.3 | -62.5 | -91.7 | 0 | 0 | 0 | 109.8 | Q520 K522 I536 Y548 L550 | Q520-F538 PolarHBondContact O-N 3.05Å; K522-F538 HydrophobicContact CB-CE2 4.2Å; I536-F538 HydrophobicContact CB-CE2 4.12Å; I536-F538 HydrophobicContact CB-CZ 4.35Å; I536-F538 HydrophobicContact CG2-CE1 4.32Å; I536-F538 HydrophobicContact CG2-CE2 3.82Å; I536-F538 HydrophobicContact CG2-CZ 3.7Å; I536-F538 WeakPolarHBondContact O-CE2 3.48Å; F538-Y548 AromaticContact CE2-CD1 3.98Å; F538-Y548 HydrophobicContact CE2-CD1 3.98Å; F538-L550 HydrophobicContact CD1-CD2 4.04Å |
| 539 | Y | 85.3 | Confident | 78.9 | Confident | 8 Ų | 8 | 57.4 Ų | 57.4 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 148.8 | 178.5 | 67.7 | -86.8 | 0 | 0 | 0 | 112.2 | P663 A665 G666 I668 L696 L734 | Y539-P663 HydrophobicContact CE2-CG 4.49Å; Y539-P663 VanDerWaalsContact OH-CG 3.25Å; Y539-P663 WeakPolarHBondContact OH-CG 3.33Å; Y539-A665 WeakPolarHBondContact O-CA 3.47Å; Y539-A665 VanDerWaalsContact O-CB 3.29Å; Y539-A665 WeakPolarHBondContact O-CB 3.24Å; Y539-G666 WeakPolarHBondContact CD1-O 3.45Å; Y539-G666 WeakPolarHBondContact CE1-O 3.3Å; Y539-G666 PolarHBondContact N-O 2.9Å; Y539-G666 PolarHBondContact O-N 2.68Å; Y539-G666 VanDerWaalsContact O-N 3.16Å; Y539-I668 HydrophobicContact CD1-CD1 4.38Å; Y539-I668 HydrophobicContact CD1-CG1 4.32Å; Y539-I668 HydrophobicContact CE1-CD1 4.2Å; Y539-I668 HydrophobicContact CE1-CG1 3.99Å; Y539-L696 WeakPolarHBondContact OH-CD2 3.48Å; Y539-L734 HydrophobicContact CD1-CB 4.3Å; Y539-L734 HydrophobicContact CD1-CD1 3.89Å; Y539-L734 HydrophobicContact CD1-CG 4.47Å; Y539-L734 HydrophobicContact CD2-CB 4.08Å; Y539-L734 HydrophobicContact CG-CB 3.81Å; Y539-L734 HydrophobicContact CG-CD1 4.16Å; Y539-L734 HydrophobicContact CG-CG 4.46Å |
| 540 | C | 83.6 | Confident | 78.3 | Confident | 7 Ų | 7 | 54.9 Ų | 54.9 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 115.9 | 171.2 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | R542 N543 C551 A665 Q735 | C540-R542 PolarHBondContact O-N 2.67Å; C540-R542 VanDerWaalsContact O-N 3.09Å; C540-N543 PolarHBondContact O-N 3.38Å; C540-C551 HydrophobicContact CB-CB 4.29Å; C540-C551 VanDerWaalsContact SG-CB 3.56Å; C540-A665 HydrophobicContact CB-CB 4.2Å; C540-Q735 WeakPolarHBondContact O-CG 3.35Å; C540-Q735 PolarHBondContact O-NE2 2.71Å |
| 541 | R | 78.9 | Confident | 77.6 | Confident | 52 Ų | 52 | 50.2 Ų | 50.2 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 1.5 | 179.9 | -63.4 | 177 | 71.8 | -139.4 | -3.1 | 113.9 | M662 P663 L664 L734 Y737 T739 | R541-M662 PolarHBondContact NH1-O 2.84Å; R541-P663 WeakPolarHBondContact CD-O 2.95Å; R541-L664 PolarHBondContact N-O 3.06Å; R541-L734 VanDerWaalsContact CG-O 3.29Å; R541-L734 WeakPolarHBondContact CG-O 3.47Å; R541-Y737 PolarHBondContact NH2-O 3.38Å; R541-T739 PolarHBondContact NH2-OG1 2.82Å; R541-T739 VanDerWaalsContact NH2-OG1 3.17Å |
| 542 | R | 73.7 | Confident | 76.1 | Confident | 77 Ų | 77 | 54.4 Ų | 54.4 | 29% | 0.291 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 10.6 | 168.3 | -59.3 | -161.1 | -176.1 | 113.4 | -10.2 | 113.4 | C540 H544 V553 T554 N555 | C540-R542 PolarHBondContact O-N 2.67Å; C540-R542 VanDerWaalsContact O-N 3.09Å; R542-H544 PolarHBondContact O-CD2 2.92Å; R542-H544 VanDerWaalsContact O-CD2 3.25Å; R542-H544 PolarHBondContact O-N 3.36Å; R542-H544 VanDerWaalsContact O-N 3.16Å; R542-V553 PolarHBondContact NH1-O 3.32Å; R542-T554 PolarHBondContact NH2-O 3.1Å; R542-N555 PolarHBondContact NH2-OD1 3.22Å |
| 543 | N | 67.6 | Low | 74.1 | Confident | 108 Ų | 108 | 56.1 Ų | 56.1 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | trans | 56.4 | 26.4 | -179.9 | -60.7 | -10.8 | 0 | 0 | 0 | 114.8 | C540 Q735 | C540-N543 PolarHBondContact O-N 3.38Å; N543-Q735 PolarHBondContact OD1-NE2 3.04Å | ||
| 544 | H | 69.7 | Low | 71.7 | Confident | 83 Ų | 83 | 61.4 Ų | 61.4 | 38% | 0.384 | 32% | 0.317 | S | S | . | . | trans | -77.4 | 129.1 | 171.2 | -61.7 | 179.2 | 0 | 0 | 0 | 110.3 | R542 H546 C551 | R542-H544 PolarHBondContact O-CD2 2.92Å; R542-H544 VanDerWaalsContact O-CD2 3.25Å; R542-H544 PolarHBondContact O-N 3.36Å; R542-H544 VanDerWaalsContact O-N 3.16Å; H544-H546 VanDerWaalsContact CB-NE2 3.29Å; H544-H546 WeakPolarHBondContact CB-NE2 3.46Å; H544-H546 AromaticContact CG-NE2 3.83Å; H544-H546 AromaticContact ND1-NE2 3.49Å; H544-H546 PolarHBondContact ND1-NE2 3.05Å; H544-H546 PolarHBondContact O-N 2.7Å; H544-C551 PolarHBondContact ND1-SG 3.01Å | ||
| 545 | H | 64.1 | Low | 69 | Low | 145 Ų | 145 | 65.1 Ų | 65.1 | 67% | 0.671 | 34% | 0.339 | S | S | * | . | trans | -86.3 | 99.6 | 171.4 | -70.5 | -86.2 | 0 | 0 | 0 | 110.1 | ||||
| 546 | H | 65.9 | Low | 66.3 | Low | 61 Ų | 61 | 71.4 Ų | 71.4 | 28% | 0.282 | 38% | 0.377 | S | S | . | . | trans | -102.9 | 120.1 | 174.6 | -68.3 | -74.2 | 0 | 0 | 0 | 109.5 | H544 Y548 S549 C551 | H544-H546 VanDerWaalsContact CB-NE2 3.29Å; H544-H546 WeakPolarHBondContact CB-NE2 3.46Å; H544-H546 AromaticContact CG-NE2 3.83Å; H544-H546 AromaticContact ND1-NE2 3.49Å; H544-H546 PolarHBondContact ND1-NE2 3.05Å; H544-H546 PolarHBondContact O-N 2.7Å; H546-Y548 PolarHBondContact O-N 3Å; H546-S549 WeakPolarHBondContact CB-O 3.27Å; H546-C551 WeakPolarHBondContact NE2-CB 3.15Å; H546-C551 PolarHBondContact NE2-SG 2.95Å; H546-C551 VanDerWaalsContact NE2-SG 3.35Å | ||
| 547 | H | 64.9 | Low | 63.4 | Low | 122 Ų | 122 | 79.9 Ų | 79.9 | 57% | 0.565 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | 106.6 | -178.3 | -169.1 | -108.7 | 0 | 0 | 0 | 109.4 | S549 | H547-S549 PolarHBondContact O-N 3.09Å; H547-S549 VanDerWaalsContact O-N 3.15Å; H547-S549 PolarHBondContact O-OG 2.9Å |
| 548 | Y | 66.4 | Low | 60.4 | Low | 70 Ų | 70 | 91 Ų | 91 | 28% | 0.275 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 33.6 | -178.8 | -52.7 | -61.3 | 0 | 0 | 0 | 115 | H516 Y521 K522 F538 H546 | H516-Y548 WeakPolarHBondContact CA-OH 3.23Å; H516-Y548 WeakPolarHBondContact CB-OH 3.21Å; H516-Y548 PolarHBondContact O-OH 3.32Å; Y521-Y548 WeakPolarHBondContact O-CE1 3.34Å; K522-Y548 HydrophobicContact CB-CD1 3.77Å; K522-Y548 HydrophobicContact CB-CE1 3.6Å; K522-Y548 HydrophobicContact CG-CD1 4.23Å; K522-Y548 HydrophobicContact CG-CE1 4.01Å; F538-Y548 AromaticContact CE2-CD1 3.98Å; F538-Y548 HydrophobicContact CE2-CD1 3.98Å; H546-Y548 PolarHBondContact O-N 3Å |
| 549 | S | 64.7 | Low | 57.5 | Low | 54 Ų | 54 | 101.4 Ų | 101.4 | 38% | 0.378 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -146 | 152.6 | -172.6 | 37.9 | 0 | 0 | 0 | 0 | 112 | H546 H547 | H546-S549 WeakPolarHBondContact CB-O 3.27Å; H547-S549 PolarHBondContact O-N 3.09Å; H547-S549 VanDerWaalsContact O-N 3.15Å; H547-S549 PolarHBondContact O-OG 2.9Å |
| 550 | L | 67.1 | Low | 54.7 | Low | 82 Ų | 82 | 112.7 Ų | 112.7 | 43% | 0.429 | 54% | 0.536 | S | S | . | . | trans | -89.7 | 146 | -178.8 | -62.2 | -179.6 | 0 | 0 | 0 | 111.8 | F538 S552 G666 | F538-L550 HydrophobicContact CD1-CD2 4.04Å; L550-S552 PolarHBondContact O-N 2.85Å; L550-S552 VanDerWaalsContact O-N 3.16Å; L550-G666 WeakPolarHBondContact CD2-O 3.36Å | ||
| 551 | C | 68.4 | Low | 51.9 | Low | 17 Ų | 17 | 124.1 Ų | 124.1 | 12% | 0.115 | 58% | 0.579 | C | S | . | * | trans | -71.9 | 106.6 | 177.5 | -171.5 | 0 | 0 | 0 | 0 | 111.1 | C540 H544 H546 V553 A665 | C540-C551 HydrophobicContact CB-CB 4.29Å; C540-C551 VanDerWaalsContact SG-CB 3.56Å; H544-C551 PolarHBondContact ND1-SG 3.01Å; H546-C551 WeakPolarHBondContact NE2-CB 3.15Å; H546-C551 PolarHBondContact NE2-SG 2.95Å; H546-C551 VanDerWaalsContact NE2-SG 3.35Å; C551-V553 PolarHBondContact O-N 2.98Å; C551-V553 VanDerWaalsContact O-N 3.09Å; C551-A665 HydrophobicContact CB-CB 3.67Å | ||
| 552 | S | 55.8 | Low | 49.4 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 80% | 0.797 | 61% | 0.605 | S | S | * | * | trans | -76.4 | 12.3 | -173.7 | 55.7 | 0 | 0 | 0 | 0 | 116.1 | L550 | L550-S552 PolarHBondContact O-N 2.85Å; L550-S552 VanDerWaalsContact O-N 3.16Å | ||
| 553 | V | 47 | Very low | 47.2 | Very low | 76 Ų | 76 | 131.3 Ų | 131.3 | 46% | 0.461 | 63% | 0.63 | S | S | . | * | trans | -98.9 | 112.3 | -172.6 | -174.3 | 0 | 0 | 0 | 0 | 110.3 | R542 C551 | R542-V553 PolarHBondContact NH1-O 3.32Å; C551-V553 PolarHBondContact O-N 2.98Å; C551-V553 VanDerWaalsContact O-N 3.09Å | ||
| 554 | T | 39.1 | Very low | 45.4 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 69% | 0.693 | 64% | 0.64 | S | S | * | * | trans | -76.5 | -175.4 | -179.7 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | R542 | R542-T554 PolarHBondContact NH2-O 3.1Š| ||
| 555 | N | 32.4 | Very low | 43.5 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 64% | 0.642 | 65% | 0.648 | S | S | * | * | trans | -119.5 | 102.1 | -177.5 | -126.4 | 20.7 | 0 | 0 | 0 | 110.7 | R542 L664 | R542-N555 PolarHBondContact NH2-OD1 3.22Å; N555-L664 HydrophobicContact CB-CD1 3.8Å | ||
| 556 | T | 32.3 | Very low | 41.9 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 82% | 0.816 | 66% | 0.657 | S | S | * | * | trans | -141.2 | 140.8 | 167.8 | 48.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 557 | F | 28.1 | Very low | 40.1 | Very low | 204 Ų | 204 | 137.1 Ų | 137.1 | 90% | 0.895 | 68% | 0.679 | S | S | * | * | trans | -90.2 | 148.4 | -176.3 | -106.6 | -99.1 | 0 | 0 | 0 | 112.3 | ||||
| 558 | R | 26.3 | Very low | 38.5 | Very low | 236 Ų | 236 | 136.5 Ų | 136.5 | 89% | 0.891 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 87 | 130.2 | 169 | -55.3 | 179 | 173 | -171.1 | -2.5 | 118.2 | ||
| 559 | R | 25.9 | Very low | 37 | Very low | 248 Ų | 248 | 141.3 Ų | 141.3 | 94% | 0.936 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 73.1 | 139.2 | 169.5 | -61.8 | -178.9 | 173.1 | 176.9 | -2 | 117 | R561 | R559-R561 PolarHBondContact O-N 3.08Š|
| 560 | R | 27.2 | Very low | 35.5 | Very low | 245 Ų | 245 | 141.2 Ų | 141.2 | 93% | 0.925 | 71% | 0.713 | S | S | * | * | trans | -64.9 | 120.1 | 172.4 | -63.9 | 175.4 | 177.6 | 170.8 | -2.9 | 110.2 | ||||
| 561 | R | 24.3 | Very low | 33.9 | Very low | 247 Ų | 247 | 143.9 Ų | 143.9 | 93% | 0.932 | 73% | 0.727 | S | S | * | * | trans | -168.6 | 167.3 | 155.6 | -106.9 | 157.8 | -161.3 | -154.7 | 3.1 | 112 | R559 | R559-R561 PolarHBondContact O-N 3.08Š| ||
| 562 | H | 25.9 | Very low | 32.3 | Very low | 162 Ų | 162 | 148.9 Ų | 148.9 | 75% | 0.75 | 75% | 0.753 | S | S | * | * | trans | -78 | 154.4 | -164.3 | -63.5 | -107.8 | 0 | 0 | 0 | 114.9 | V565 | H562-V565 WeakPolarHBondContact O-CG2 3.35Š| ||
| 563 | S | 28.3 | Very low | 31.4 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -141.6 | 132.8 | 143.5 | -179.6 | 0 | 0 | 0 | 0 | 105.9 | ||
| 564 | S | 28.9 | Very low | 30.8 | Very low | 113 Ų | 113 | 151.2 Ų | 151.2 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | cis | -56.5 | 130 | 13.8 | 56.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 565 | V | 30.5 | Very low | 30.3 | Very low | 90 Ų | 90 | 153.4 Ų | 153.4 | 55% | 0.545 | 77% | 0.767 | S | S | . | * | trans | -131.5 | 108 | 155.7 | 175.1 | 0 | 0 | 0 | 0 | 106.2 | H562 | H562-V565 WeakPolarHBondContact O-CG2 3.35Š| ||
| 566 | M | 30.3 | Very low | 30.3 | Very low | 177 Ų | 177 | 154.1 Ų | 154.1 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | -78.4 | 152.7 | 147.1 | -82.6 | -162.9 | 167.3 | 0 | 0 | 107.5 | N568 | M566-N568 PolarHBondContact O-N 3.26Å; M566-N568 VanDerWaalsContact O-N 3.11Å; M566-N568 PolarHBondContact O-OD1 3.31Å | ||
| 567 | N | 28 | Very low | 30.2 | Very low | 139 Ų | 139 | 153.5 Ų | 153.5 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | -61 | 114.9 | -170.9 | -59.7 | -9.7 | 0 | 0 | 0 | 111.1 | E569 | N567-E569 PolarHBondContact O-N 3.24Å; N567-E569 VanDerWaalsContact O-N 3.13Å | ||
| 568 | N | 31.8 | Very low | 30.2 | Very low | 110 Ų | 110 | 147.3 Ų | 147.3 | 59% | 0.588 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -67.5 | -10.7 | -177.4 | -83.6 | 5.2 | 0 | 0 | 0 | 114.1 | M566 G570 | M566-N568 PolarHBondContact O-N 3.26Å; M566-N568 VanDerWaalsContact O-N 3.11Å; M566-N568 PolarHBondContact O-OD1 3.31Å; N568-G570 PolarHBondContact O-N 3.32Å |
| 569 | E | 34.6 | Very low | 30.6 | Very low | 170 Ų | 170 | 142 Ų | 142 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -72.2 | -13.2 | -174.2 | -61.2 | 177.8 | 161.6 | 0 | 0 | 113.5 | N567 S573 | N567-E569 PolarHBondContact O-N 3.24Å; N567-E569 VanDerWaalsContact O-N 3.13Å; E569-S573 PolarHBondContact O-OG 3.17Å |
| 570 | G | 33.2 | Very low | 31 | Very low | 52 Ų | 52 | 135.4 Ų | 135.4 | 54% | 0.536 | 73% | 0.732 | S | S | . | * | G | 310 helix | trans | -91.9 | -9.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | N568 | N568-G570 PolarHBondContact O-N 3.32Š|
| 571 | L | 32.9 | Very low | 31.3 | Very low | 139 Ų | 139 | 129 Ų | 129 | 73% | 0.728 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | -34.5 | -175.4 | -86.9 | 163.6 | 0 | 0 | 0 | 113.8 | S573 L574 | L571-S573 PolarHBondContact O-N 3.08Å; L571-S573 VanDerWaalsContact O-N 3.08Å; L571-L574 PolarHBondContact O-N 3.27Å |
| 572 | D | 35 | Very low | 31.6 | Very low | 122 Ų | 122 | 124.5 Ų | 124.5 | 65% | 0.652 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -7.6 | 177.4 | -67.3 | -17.7 | 0 | 0 | 0 | 112.9 | ||
| 573 | S | 37.5 | Very low | 31.9 | Very low | 99 Ų | 99 | 125.1 Ų | 125.1 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 0 | -178.9 | -57.8 | 0 | 0 | 0 | 0 | 115.1 | E569 L571 | E569-S573 PolarHBondContact O-OG 3.17Å; L571-S573 PolarHBondContact O-N 3.08Å; L571-S573 VanDerWaalsContact O-N 3.08Å |
| 574 | L | 33.9 | Very low | 31.9 | Very low | 139 Ų | 139 | 123.5 Ų | 123.5 | 73% | 0.728 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.4 | -10 | -172.7 | -75.1 | 172.6 | 0 | 0 | 0 | 116 | L571 | L571-L574 PolarHBondContact O-N 3.27Š|
| 575 | L | 29.8 | Very low | 32 | Very low | 160 Ų | 160 | 126.5 Ų | 126.5 | 84% | 0.838 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -142.1 | 87.7 | 179 | -70.1 | 175.8 | 0 | 0 | 0 | 112.5 | ||
| 576 | L | 32.3 | Very low | 31.9 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 70% | 0.702 | 73% | 0.726 | S | S | * | * | trans | -143.5 | 150.2 | 166.7 | -99.1 | 122.3 | 0 | 0 | 0 | 107.2 | ||||
| 577 | P | 29.3 | Very low | 31.7 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | S | Bend | cis | -105.2 | -179 | 47.6 | -6.1 | 27.9 | 0 | 0 | 0 | 116.6 | ||
| 578 | S | 28.9 | Very low | 31.9 | Very low | 74 Ų | 74 | 135 Ų | 135 | 52% | 0.517 | 73% | 0.734 | S | S | . | * | trans | -68.8 | 121 | -177.2 | 47.2 | 0 | 0 | 0 | 0 | 114.3 | T580 | S578-T580 VanDerWaalsContact C-N 3.26Å; S578-T580 PolarHBondContact O-N 3.36Å | ||
| 579 | T | 33.5 | Very low | 31.7 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 77% | 0.767 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 51.2 | 172.1 | 44.6 | 0 | 0 | 0 | 0 | 113 | ||
| 580 | T | 34.2 | Very low | 31.4 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -14.5 | 169.5 | 30.9 | 0 | 0 | 0 | 0 | 113.6 | S578 | S578-T580 VanDerWaalsContact C-N 3.26Å; S578-T580 PolarHBondContact O-N 3.36Å |
| 581 | D | 33.7 | Very low | 31.3 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 60% | 0.599 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -109 | 15.8 | -162.9 | -53.9 | -54.4 | 0 | 0 | 0 | 114.9 | ||
| 582 | L | 31.5 | Very low | 31.1 | Very low | 152 Ų | 152 | 137 Ų | 137 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -121.7 | 8.5 | -175.5 | -76.1 | 173.1 | 0 | 0 | 0 | 115.6 | ||
| 583 | I | 31.1 | Very low | 30.8 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 90% | 0.897 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -127.5 | 53.7 | 170.4 | -45.5 | -177.7 | 0 | 0 | 0 | 109.3 | ||
| 584 | S | 29.9 | Very low | 30.4 | Very low | 82 Ų | 82 | 142.3 Ų | 142.3 | 57% | 0.573 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -145.2 | 9.6 | -173.7 | 52.3 | 0 | 0 | 0 | 0 | 114 | ||
| 585 | Q | 30.3 | Very low | 29.8 | Very low | 177 Ų | 177 | 147.7 Ų | 147.7 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -135.3 | 34.1 | -174.4 | -64.6 | -167.5 | -4.6 | 0 | 0 | 114.7 | ||
| 586 | M | 27.6 | Very low | 29.8 | Very low | 194 Ų | 194 | 150.1 Ų | 150.1 | 96% | 0.956 | 77% | 0.769 | S | S | * | * | trans | -132.2 | 84.1 | 158.4 | -81.8 | -164.1 | 165.4 | 0 | 0 | 109.7 | ||||
| 587 | E | 27.8 | Very low | 29.5 | Very low | 181 Ų | 181 | 148.1 Ų | 148.1 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -70.2 | 125.1 | 170.4 | -61.6 | 179.3 | 121.8 | 0 | 0 | 109.9 | ||||
| 588 | F | 32.2 | Very low | 29.6 | Very low | 210 Ų | 210 | 150.6 Ų | 150.6 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | trans | -136.7 | 116.1 | 142.6 | -102.1 | -78 | 0 | 0 | 0 | 109 | ||||
| 589 | S | 26.8 | Very low | 29.5 | Very low | 104 Ų | 104 | 155.4 Ų | 155.4 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -76.8 | 171.9 | 172.8 | 56.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 590 | E | 28 | Very low | 29.4 | Very low | 149 Ų | 149 | 159.5 Ų | 159.5 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | cis | -143.5 | 172.3 | 21.1 | -62.8 | 175.7 | 100.9 | 0 | 0 | 112.2 | ||||
| 591 | H | 31.8 | Very low | 29.2 | Very low | 170 Ų | 170 | 160.9 Ų | 160.9 | 79% | 0.787 | 79% | 0.791 | S | S | * | * | trans | 70.8 | 144 | 164.8 | -47.1 | -48.2 | 0 | 0 | 0 | 118.4 | ||||
| 592 | S | 28.7 | Very low | 29.2 | Very low | 88 Ų | 88 | 163.1 Ų | 163.1 | 62% | 0.615 | 80% | 0.802 | S | S | * | * | cis | -165.2 | 142.7 | -22.2 | 57.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 593 | N | 28.7 | Very low | 29.3 | Very low | 136 Ų | 136 | 160.4 Ų | 160.4 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | 54.3 | 101 | 149 | -51.8 | -23 | 0 | 0 | 0 | 119.7 | ||||
| 594 | F | 27.6 | Very low | 29.4 | Very low | 197 Ų | 197 | 156.6 Ų | 156.6 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | 176.7 | 124.2 | 92.6 | -106.8 | -78.2 | 0 | 0 | 0 | 113.1 | |||||
| 595 | W | 22.8 | Very low | 29.7 | Very low | 252 Ų | 252 | 158.3 Ų | 158.3 | 96% | 0.955 | 79% | 0.791 | S | S | * | * | trans | -129.7 | 123.1 | 161.5 | -95.7 | 76.4 | 0 | 0 | 0 | 108.3 | ||||
| 596 | K | 28.4 | Very low | 29.8 | Very low | 212 Ų | 212 | 155.3 Ų | 155.3 | 92% | 0.922 | 79% | 0.785 | S | S | * | * | trans | -173.1 | 153.6 | 146.7 | -107.7 | 157.6 | -173.1 | 174.9 | 0 | 112.7 | ||||
| 597 | A | 26.2 | Very low | 30 | Very low | 91 Ų | 91 | 152.3 Ų | 152.3 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -85.7 | 166.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 598 | H | 31.1 | Very low | 30.3 | Very low | 172 Ų | 172 | 149 Ų | 149 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | -129.6 | 108.9 | 166.1 | -117.2 | -64.4 | 0 | 0 | 0 | 111.5 | ||||
| 599 | H | 27.6 | Very low | 30.1 | Very low | 175 Ų | 175 | 146.3 Ų | 146.3 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -97 | 148.9 | 159.4 | -93.8 | -89 | 0 | 0 | 0 | 109.6 | ||||
| 600 | R | 31.2 | Very low | 30.4 | Very low | 211 Ų | 211 | 148.2 Ų | 148.2 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | trans | -161.1 | 125.8 | 154.3 | -97.9 | 162.4 | -173.4 | -170.7 | 0.8 | 105.4 | ||||
| 601 | N | 30.6 | Very low | 30.4 | Very low | 138 Ų | 138 | 146.5 Ų | 146.5 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | 70.3 | 141.8 | 65.2 | -68.2 | 17.8 | 0 | 0 | 0 | 112.2 | |||||
| 602 | L | 33.2 | Very low | 30.3 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | cis | -117.1 | 172.8 | -0.7 | -134.8 | 65.3 | 0 | 0 | 0 | 108.3 | ||||
| 603 | S | 33.1 | Very low | 30.1 | Very low | 94 Ų | 94 | 145.7 Ų | 145.7 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | cis | -143.9 | -155.9 | 5.2 | 55.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 604 | S | 34.8 | Very low | 30.1 | Very low | 95 Ų | 95 | 145.5 Ų | 145.5 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | cis | -170.1 | 150.9 | 3.5 | 14.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 605 | T | 34.5 | Very low | 30.2 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | cis | -167.8 | 149.5 | -12.7 | 14.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 606 | T | 33.4 | Very low | 30.3 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | trans | 56 | 136.2 | 161 | 61.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 607 | D | 32.5 | Very low | 30.2 | Very low | 132 Ų | 132 | 132 Ų | 132 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | cis | -167.6 | 163.6 | -12.3 | -99.3 | -24.7 | 0 | 0 | 0 | 108.8 | ||||
| 608 | T | 32.4 | Very low | 30.3 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 69% | 0.687 | 73% | 0.726 | S | S | * | * | trans | 40.3 | 138.1 | 148.4 | 57.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 609 | E | 28.3 | Very low | 30.2 | Very low | 153 Ų | 153 | 131.1 Ų | 131.1 | 72% | 0.715 | 72% | 0.721 | S | S | * | * | cis | -174.4 | -175.6 | -6.2 | -129.2 | 165.7 | -159 | 0 | 0 | 109.6 | ||||
| 610 | H | 33.2 | Very low | 30.4 | Very low | 144 Ų | 144 | 129.7 Ų | 129.7 | 67% | 0.667 | 72% | 0.719 | S | S | * | * | trans | 46 | 99.5 | 152.4 | -74.1 | -59.7 | 0 | 0 | 0 | 120.4 | ||||
| 611 | T | 27.8 | Very low | 30.5 | Very low | 112 Ų | 112 | 124.9 Ų | 124.9 | 69% | 0.687 | 72% | 0.718 | S | S | * | * | 72.5 | 141.9 | 83.2 | 60.4 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 612 | I | 29.8 | Very low | 30.5 | Very low | 149 Ų | 149 | 122.3 Ų | 122.3 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | trans | 90 | 94.7 | 160.8 | -61.3 | 151.2 | 0 | 0 | 0 | 118.4 | ||||
| 613 | S | 25.9 | Very low | 30.4 | Very low | 93 Ų | 93 | 121.4 Ų | 121.4 | 65% | 0.65 | 72% | 0.717 | S | S | * | * | trans | 62.1 | 148.3 | 133.4 | 83.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 614 | N | 27.6 | Very low | 30.5 | Very low | 132 Ų | 132 | 121.7 Ų | 121.7 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | trans | 80.6 | 121 | 140.2 | -73.1 | -10 | 0 | 0 | 0 | 122 | ||||
| 615 | Q | 29.1 | Very low | 30.5 | Very low | 158 Ų | 158 | 122.5 Ų | 122.5 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | 70.3 | 100.9 | 128.1 | -65.8 | -177.1 | -4.1 | 0 | 0 | 120.6 | |||||
| 616 | T | 25.4 | Very low | 30.6 | Very low | 123 Ų | 123 | 123.3 Ų | 123.3 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | 63.7 | 141.3 | 124.7 | 60.3 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 617 | S | 26.7 | Very low | 30.7 | Very low | 95 Ų | 95 | 124.3 Ų | 124.3 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | trans | 102.1 | 110.7 | 139 | 79.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 618 | N | 27.6 | Very low | 30.9 | Very low | 145 Ų | 145 | 125.7 Ų | 125.7 | 78% | 0.775 | 72% | 0.723 | S | S | * | * | 79.2 | 145.4 | 125.2 | -62.7 | -3.7 | 0 | 0 | 0 | 122.1 | |||||
| 619 | S | 30.6 | Very low | 30.9 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | trans | 79.6 | 140.1 | 143.1 | 70.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 620 | N | 30.6 | Very low | 31.1 | Very low | 145 Ų | 145 | 124.5 Ų | 124.5 | 78% | 0.775 | 72% | 0.718 | S | S | * | * | cis | -164.7 | 163 | -12.4 | -112.1 | -11 | 0 | 0 | 0 | 112.8 | ||||
| 621 | S | 32.6 | Very low | 31.1 | Very low | 111 Ų | 111 | 122.8 Ų | 122.8 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | trans | 67 | 153.6 | 143.1 | 59.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 622 | A | 31.6 | Very low | 31.4 | Very low | 83 Ų | 83 | 125 Ų | 125 | 69% | 0.686 | 72% | 0.72 | S | S | * | * | cis | -177.3 | 164.5 | -24.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 623 | V | 31.7 | Very low | 31.5 | Very low | 141 Ų | 141 | 124.1 Ų | 124.1 | 86% | 0.855 | 72% | 0.716 | S | S | * | * | trans | 68 | 134.9 | 148.4 | 158.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 624 | S | 34.9 | Very low | 31.6 | Very low | 101 Ų | 101 | 124.6 Ų | 124.6 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | cis | -157.6 | -150.2 | -9.4 | 49.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 625 | V | 35.3 | Very low | 31.8 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 67% | 0.673 | 72% | 0.72 | S | S | * | * | cis | -163.2 | 148.6 | 11.6 | 92.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 626 | D | 35.7 | Very low | 31.7 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | 38.8 | 151 | 149.3 | -55.3 | -4.9 | 0 | 0 | 0 | 127.5 | ||||
| 627 | N | 35.4 | Very low | 32.2 | Very low | 134 Ų | 134 | 124.5 Ų | 124.5 | 72% | 0.717 | 72% | 0.721 | S | S | * | * | trans | 69 | 142.9 | 165.3 | -68.6 | 22.2 | 0 | 0 | 0 | 118.6 | ||||
| 628 | E | 35.8 | Very low | 32.3 | Very low | 162 Ų | 162 | 124.6 Ų | 124.6 | 76% | 0.757 | 72% | 0.722 | S | S | * | * | cis | -168.8 | 159 | -0.1 | -108.2 | 168.2 | 114.4 | 0 | 0 | 107.7 | ||||
| 629 | E | 34 | Very low | 32.5 | Very low | 163 Ų | 163 | 125 Ų | 125 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | cis | -156.4 | -83.1 | -8.5 | -152.4 | -84.5 | 107.2 | 0 | 0 | 113.8 | ||||
| 630 | S | 32.5 | Very low | 32.4 | Very low | 77 Ų | 77 | 128.2 Ų | 128.2 | 54% | 0.538 | 73% | 0.728 | S | S | . | * | trans | -135 | 166.7 | -159.7 | 51.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 631 | T | 31.8 | Very low | 32.2 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 66% | 0.656 | 72% | 0.721 | S | S | * | * | cis | -163.1 | 158.9 | -5.5 | 19.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 632 | H | 34.6 | Very low | 31.8 | Very low | 159 Ų | 159 | 126 Ų | 126 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | trans | 65.9 | 144.4 | 149.3 | -64.9 | -34 | 0 | 0 | 0 | 120.9 | ||||
| 633 | L | 32.6 | Very low | 31.6 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 68% | 0.681 | 72% | 0.722 | S | S | * | * | cis | -158.8 | 134 | -4.5 | -105.3 | 161.6 | 0 | 0 | 0 | 111.3 | ||||
| 634 | T | 28.6 | Very low | 31.3 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 64% | 0.638 | 71% | 0.714 | S | S | * | * | trans | 26.7 | 148.2 | 136.4 | 58 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 635 | N | 30.7 | Very low | 31 | Very low | 151 Ų | 151 | 131.5 Ų | 131.5 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | cis | -166.6 | 161 | 15.9 | -113.6 | -1.4 | 0 | 0 | 0 | 112.8 | ||||
| 636 | D | 27.1 | Very low | 30.6 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 80% | 0.802 | 71% | 0.713 | S | S | * | * | trans | -78 | -175.8 | 160.1 | -69.5 | -67 | 0 | 0 | 0 | 111.9 | ||||
| 637 | P | 35.2 | Very low | 30.2 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 71% | 0.708 | 71% | 0.713 | S | S | * | * | cis | -139.5 | 179.9 | 3.7 | 45.1 | -27.1 | 0 | 0 | 0 | 117.6 | ||||
| 638 | S | 28.9 | Very low | 29.8 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | trans | 8.1 | 130.9 | 152.1 | 63.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 639 | N | 31.6 | Very low | 29.7 | Very low | 155 Ų | 155 | 131 Ų | 131 | 83% | 0.829 | 71% | 0.71 | S | S | * | * | -163.9 | 168 | 126.2 | -111.3 | -38.9 | 0 | 0 | 0 | 116.5 | |||||
| 640 | H | 29.9 | Very low | 29.3 | Very low | 167 Ų | 167 | 130.8 Ų | 130.8 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | trans | -58.9 | 155.9 | -168.1 | -82.4 | -99.4 | 0 | 0 | 0 | 121 | ||||
| 641 | S | 24.9 | Very low | 29.1 | Very low | 90 Ų | 90 | 133.9 Ų | 133.9 | 63% | 0.629 | 72% | 0.72 | S | S | * | * | trans | 77.5 | 111.5 | 130.3 | 66.6 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 642 | T | 25.2 | Very low | 29.1 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 72% | 0.724 | 73% | 0.73 | S | S | * | * | 74.4 | 151.2 | 124 | 59.9 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 643 | F | 27.9 | Very low | 28.8 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 76% | 0.763 | 73% | 0.733 | S | S | * | * | trans | 78.1 | 94.5 | 165.3 | -68.3 | -71.1 | 0 | 0 | 0 | 119.4 | ||||
| 644 | D | 25 | Very low | 28.8 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 68% | 0.679 | 74% | 0.741 | S | S | * | * | 51.3 | 152.3 | 111.8 | -60.4 | -17.5 | 0 | 0 | 0 | 123.3 | |||||
| 645 | N | 27.4 | Very low | 28.7 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | 82.2 | 80.8 | 157.3 | -59.8 | -33.6 | 0 | 0 | 0 | 119.6 | ||||
| 646 | S | 26.9 | Very low | 28.8 | Very low | 87 Ų | 87 | 137.3 Ų | 137.3 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | 66.3 | 141.3 | 106.5 | 72.5 | 0 | 0 | 0 | 0 | 122 | |||||
| 647 | H | 29 | Very low | 28.9 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | 66.6 | 141.9 | 168.8 | -60.7 | -85 | 0 | 0 | 0 | 114.6 | ||||
| 648 | E | 27.2 | Very low | 28.8 | Very low | 151 Ų | 151 | 143 Ų | 143 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | cis | -160.9 | -174.1 | -8.1 | -135 | 164 | -133 | 0 | 0 | 111 | ||||
| 649 | L | 31.8 | Very low | 29.3 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 70% | 0.696 | 77% | 0.766 | S | S | * | * | trans | 65.4 | 99.1 | 165.3 | -92.1 | 71.8 | 0 | 0 | 0 | 120.3 | ||||
| 650 | E | 27.2 | Very low | 30.1 | Very low | 160 Ų | 160 | 142 Ų | 142 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | 56.6 | 151 | 118 | -61.5 | -165 | 167.7 | 0 | 0 | 125.1 | |||||
| 651 | N | 27.2 | Very low | 31.7 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | trans | 77.6 | 88.6 | 153 | -62.2 | -45.3 | 0 | 0 | 0 | 119.7 | ||||
| 652 | S | 31.7 | Very low | 34.3 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 87% | 0.867 | 72% | 0.721 | S | S | * | * | -163.6 | 137.5 | 109 | 32.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 653 | T | 28.6 | Very low | 36.8 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | trans | -54.4 | 132.2 | 178.3 | 48.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 654 | N | 32.3 | Very low | 39.2 | Very low | 158 Ų | 158 | 126 Ų | 126 | 85% | 0.845 | 67% | 0.668 | S | S | * | * | trans | -157 | 141.1 | 142.1 | -112.3 | -38.9 | 0 | 0 | 0 | 112.2 | ||||
| 655 | N | 27.6 | Very low | 41.9 | Very low | 157 Ų | 157 | 120.7 Ų | 120.7 | 84% | 0.84 | 64% | 0.642 | S | S | * | * | trans | -76.5 | 127.4 | -169.9 | -67.3 | -37.6 | 0 | 0 | 0 | 112.4 | ||||
| 656 | N | 32.4 | Very low | 44.7 | Very low | 154 Ų | 154 | 114 Ų | 114 | 82% | 0.824 | 61% | 0.606 | S | S | * | * | trans | -146.3 | 106.9 | 165.5 | -94.3 | -56.4 | 0 | 0 | 0 | 110.3 | R658 | N656-R658 PolarHBondContact O-N 2.82Å; N656-R658 VanDerWaalsContact O-N 3.08Å | ||
| 657 | T | 29.7 | Very low | 47.6 | Very low | 132 Ų | 132 | 110.5 Ų | 110.5 | 81% | 0.81 | 58% | 0.582 | S | S | * | * | trans | -71.2 | 97.8 | 177.4 | 46.4 | 0 | 0 | 0 | 0 | 110.8 | N659 | T657-N659 PolarHBondContact O-N 2.89Š| ||
| 658 | R | 33.3 | Very low | 50.5 | Low | 245 Ų | 245 | 103 Ų | 103 | 93% | 0.925 | 55% | 0.547 | S | S | * | . | trans | -76.1 | 101.1 | 168.5 | -76.4 | -175.2 | 171.5 | 179.5 | -1.8 | 109.8 | N656 C660 | N656-R658 PolarHBondContact O-N 2.82Å; N656-R658 VanDerWaalsContact O-N 3.08Å; R658-C660 PolarHBondContact O-N 2.85Å; R658-C660 VanDerWaalsContact O-N 3.17Å | ||
| 659 | N | 39.5 | Very low | 53.6 | Low | 142 Ų | 142 | 97.3 Ų | 97.3 | 76% | 0.759 | 52% | 0.521 | S | S | * | . | trans | -57.4 | 117.4 | 171.6 | -65.8 | -7.9 | 0 | 0 | 0 | 109.6 | T657 | T657-N659 PolarHBondContact O-N 2.89Š| ||
| 660 | C | 47.7 | Very low | 56.4 | Low | 91 Ų | 91 | 91 Ų | 91 | 62% | 0.615 | 49% | 0.489 | S | S | * | . | trans | -93.2 | 102.6 | -177.9 | -149.2 | 0 | 0 | 0 | 0 | 109.6 | R658 P697 | R658-C660 PolarHBondContact O-N 2.85Å; R658-C660 VanDerWaalsContact O-N 3.17Å; C660-P697 HydrophobicContact CB-CG 4.4Å | ||
| 661 | E | 64.2 | Low | 59.5 | Low | 130 Ų | 130 | 84.3 Ų | 84.3 | 61% | 0.607 | 46% | 0.459 | S | S | * | . | trans | -72.7 | 136 | -179.1 | -67.4 | -158.3 | 135 | 0 | 0 | 112.2 | P663 N741 | E661-P663 WeakPolarHBondContact O-CD 3.25Å; E661-N741 PolarHBondContact OE1-ND2 2.97Å | ||
| 662 | M | 77.9 | Confident | 62.6 | Low | 13 Ų | 13 | 77.6 Ų | 77.6 | 6% | 0.064 | 42% | 0.423 | C | S | . | . | trans | -61.7 | 115.2 | 179.6 | 175.5 | 59.9 | 155.2 | 0 | 0 | 111.6 | R541 L696 V700 L734 Y737 T739 | R541-M662 PolarHBondContact NH1-O 2.84Å; M662-L696 HydrophobicContact CE-CD2 4.28Å; M662-L696 HydrophobicContact SD-CD2 3.63Å; M662-V700 HydrophobicContact CE-CG1 3.64Å; M662-V700 HydrophobicContact CE-CG2 4.18Å; M662-V700 HydrophobicContact SD-CG1 4.16Å; M662-V700 HydrophobicContact SD-CG2 3.94Å; M662-L734 HydrophobicContact CE-CD2 4.19Å; M662-Y737 HydrophobicContact CE-CG 4.22Å; M662-Y737 HydrophobicContact CG-CD1 4.37Å; M662-T739 HydrophobicContact CB-CG2 4.03Å | ||
| 663 | P | 78.3 | Confident | 65.5 | Low | 23 Ų | 23 | 76.2 Ų | 76.2 | 15% | 0.149 | 40% | 0.403 | C | S | . | . | trans | -59.1 | 152.3 | -174.5 | 24.1 | -37.3 | 0 | 0 | 0 | 113.9 | Y539 R541 E661 P694 L696 | Y539-P663 HydrophobicContact CE2-CG 4.49Å; Y539-P663 VanDerWaalsContact OH-CG 3.25Å; Y539-P663 WeakPolarHBondContact OH-CG 3.33Å; R541-P663 WeakPolarHBondContact CD-O 2.95Å; E661-P663 WeakPolarHBondContact O-CD 3.25Å; P663-P694 HydrophobicContact CB-CG 3.6Å; P663-P694 HydrophobicContact CG-CG 3.91Å; P663-L696 HydrophobicContact CG-CD2 3.74Å | ||
| 664 | L | 78 | Confident | 68.4 | Low | 46 Ų | 46 | 70.3 Ų | 70.3 | 24% | 0.241 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -69.6 | -32.2 | -178.7 | -78.4 | 168.7 | 0 | 0 | 0 | 113.8 | R541 N555 | R541-L664 PolarHBondContact N-O 3.06Å; N555-L664 HydrophobicContact CB-CD1 3.8Å |
| 665 | A | 83 | Confident | 71.1 | Confident | 15 Ų | 15 | 65.1 Ų | 65.1 | 12% | 0.124 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 156.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y539 C540 C551 | Y539-A665 WeakPolarHBondContact O-CA 3.47Å; Y539-A665 VanDerWaalsContact O-CB 3.29Å; Y539-A665 WeakPolarHBondContact O-CB 3.24Å; C540-A665 HydrophobicContact CB-CB 4.2Å; C551-A665 HydrophobicContact CB-CB 3.67Å |
| 666 | G | 85.3 | Confident | 73.7 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.7 | 179.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y539 L550 S693 | Y539-G666 WeakPolarHBondContact CD1-O 3.45Å; Y539-G666 WeakPolarHBondContact CE1-O 3.3Å; Y539-G666 PolarHBondContact N-O 2.9Å; Y539-G666 PolarHBondContact O-N 2.68Å; Y539-G666 VanDerWaalsContact O-N 3.16Å; L550-G666 WeakPolarHBondContact CD2-O 3.36Å; G666-S693 CarbonylContact C-O 3.35Å; G666-S693 WeakPolarHBondContact CA-O 3.31Å |
| 667 | S | 88.8 | Confident | 76 | Confident | 15 Ų | 15 | 60 Ų | 60 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 147.7 | 174.9 | 29.5 | 0 | 0 | 0 | 0 | 111.3 | L537 S693 | L537-S667 CarbonylContact O-C 3.51Å; L537-S667 WeakPolarHBondContact O-CA 3.38Å; S667-S693 PolarHBondContact N-O 3.15Å; S667-S693 PolarHBondContact O-N 2.91Å; S667-S693 PolarHBondContact O-OG 3.32Å; S667-S693 PolarHBondContact OG-O 3.47Å; S667-S693 PolarHBondContact OG-OG 3.41Å |
| 668 | I | 90 | Very high | 78.6 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 129.4 | 177 | -54.9 | -178.7 | 0 | 0 | 0 | 108.3 | I536 L537 Y539 V689 D691 L696 L704 L734 | I536-I668 CarbonylContact C-O 3.54Å; I536-I668 WeakPolarHBondContact CA-O 3.42Å; L537-I668 HydrophobicContact CB-CB 4.4Å; L537-I668 PolarHBondContact N-O 3.22Å; L537-I668 PolarHBondContact O-N 3.11Å; Y539-I668 HydrophobicContact CD1-CD1 4.38Å; Y539-I668 HydrophobicContact CD1-CG1 4.32Å; Y539-I668 HydrophobicContact CE1-CD1 4.2Å; Y539-I668 HydrophobicContact CE1-CG1 3.99Å; I668-V689 HydrophobicContact CG2-CG1 3.67Å; I668-V689 HydrophobicContact CG2-CG2 4.28Å; I668-D691 WeakPolarHBondContact CA-O 3.45Å; I668-L696 HydrophobicContact CD1-CD1 3.53Å; I668-L696 HydrophobicContact CG1-CD1 4.15Å; I668-L704 HydrophobicContact CD1-CD1 4Å; I668-L734 HydrophobicContact CD1-CD1 3.44Å; I668-L734 VanDerWaalsContact CD1-CD1 3.44Å; I668-L734 HydrophobicContact CD1-CD2 3.73Å; I668-L734 HydrophobicContact CD1-CG 4.22Å |
| 669 | I | 91 | Very high | 80.6 | Confident | 33 Ų | 33 | 42.2 Ų | 42.2 | 17% | 0.169 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 123.6 | 172.8 | -50.9 | -174 | 0 | 0 | 0 | 108.5 | K534 L535 I536 V689 L690 D691 | K534-I669 HydrophobicContact CG-CG2 4.1Å; L535-I669 CarbonylContact O-C 3.56Å; L535-I669 WeakPolarHBondContact O-CA 3.47Å; I536-I669 HydrophobicContact CG1-CG1 4.37Å; I669-V689 CarbonylContact O-C 3.5Å; I669-V689 WeakPolarHBondContact O-CA 3.4Å; I669-L690 HydrophobicContact CB-CB 4.2Å; I669-L690 HydrophobicContact CG2-CB 4.09Å; I669-L690 HydrophobicContact CG2-CD1 4.04Å; I669-L690 HydrophobicContact CG2-CG 4.46Å; I669-L690 PolarHBondContact O-N 2.97Å; I669-D691 HydrophobicContact CB-CB 4.31Å; I669-D691 HydrophobicContact CD1-CB 4.04Å; I669-D691 HydrophobicContact CG1-CB 4.12Å; I669-D691 PolarHBondContact N-O 2.81Å |
| 670 | L | 91.7 | Very high | 82.4 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 117 | -176 | -177.4 | 69.9 | 0 | 0 | 0 | 109.5 | K534 L535 L537 I672 F687 V689 L708 | K534-L670 WeakPolarHBondContact CA-O 3.33Å; L535-L670 PolarHBondContact N-O 3.32Å; L535-L670 PolarHBondContact O-N 2.77Å; L537-L670 HydrophobicContact CD1-CD2 4.29Å; L670-I672 HydrophobicContact CD2-CD1 4.4Å; L670-I672 HydrophobicContact CD2-CG1 4.34Å; L670-I672 HydrophobicContact CG-CG1 4.27Å; L670-F687 HydrophobicContact CD1-CB 4.29Å; L670-F687 HydrophobicContact CD1-CD1 4.4Å; L670-F687 HydrophobicContact CD2-CD1 4.21Å; L670-V689 HydrophobicContact CD1-CG2 4.17Å; L670-L708 HydrophobicContact CD1-CD1 4.06Å; L670-L708 HydrophobicContact CD2-CD1 4.47Å |
| 671 | S | 92.2 | Very high | 83.4 | Confident | 18 Ų | 18 | 40.5 Ų | 40.5 | 13% | 0.126 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 142.5 | 163.6 | -164.2 | 0 | 0 | 0 | 0 | 109.9 | A533 H688 | A533-S671 CarbonylContact O-C 3.6Å; A533-S671 WeakPolarHBondContact O-CA 3.42Å; S671-H688 PolarHBondContact N-O 2.71Å; S671-H688 PolarHBondContact O-N 3.08Å |
| 672 | I | 92.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 128.2 | 174.3 | -48 | 179.2 | 0 | 0 | 0 | 108.3 | T532 A533 L535 L670 F674 P685 E686 F687 V723 | T532-I672 CarbonylContact C-O 3.57Å; T532-I672 VanDerWaalsContact CA-O 3.28Å; T532-I672 WeakPolarHBondContact CA-O 3.25Å; A533-I672 PolarHBondContact N-O 3.4Å; A533-I672 PolarHBondContact O-N 3.2Å; L535-I672 HydrophobicContact CD1-CD1 3.6Å; L535-I672 HydrophobicContact CD1-CG1 4.02Å; L670-I672 HydrophobicContact CD2-CD1 4.4Å; L670-I672 HydrophobicContact CD2-CG1 4.34Å; L670-I672 HydrophobicContact CG-CG1 4.27Å; I672-F674 HydrophobicContact CB-CE2 3.86Å; I672-F674 HydrophobicContact CB-CZ 4.12Å; I672-F674 HydrophobicContact CG2-CD2 4.09Å; I672-F674 HydrophobicContact CG2-CE1 3.99Å; I672-F674 HydrophobicContact CG2-CE2 3.53Å; I672-F674 HydrophobicContact CG2-CZ 3.47Å; I672-F674 VanDerWaalsContact CG2-CZ 3.47Å; I672-P685 HydrophobicContact CG2-CB 3.89Å; I672-E686 WeakPolarHBondContact CA-O 3.38Å; I672-F687 HydrophobicContact CD1-CD1 4.2Å; I672-F687 HydrophobicContact CD1-CE1 3.84Å; I672-F687 HydrophobicContact CG1-CD1 3.89Å; I672-F687 HydrophobicContact CG1-CE1 4.01Å; I672-F687 HydrophobicContact CG2-CD1 4.23Å; I672-F687 HydrophobicContact CG2-CE1 4.04Å; I672-V723 HydrophobicContact CD1-CG1 3.9Å |
| 673 | E | 91.4 | Very high | 84 | Confident | 95 Ų | 95 | 36.4 Ų | 36.4 | 44% | 0.444 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 124.2 | 177.2 | -55 | -166.4 | -176.1 | 0 | 0 | 109.4 | T532 P685 E686 H688 | T532-E673 HydrophobicContact CG2-CB 4.46Å; T532-E673 HydrophobicContact CG2-CG 3.95Å; E673-P685 CarbonylContact O-C 3.37Å; E673-P685 VanDerWaalsContact O-CA 3.28Å; E673-P685 WeakPolarHBondContact O-CA 3.49Å; E673-P685 WeakPolarHBondContact O-CB 3.42Å; E673-E686 PolarHBondContact N-O 3.47Å; E673-E686 PolarHBondContact O-N 2.86Å; E673-H688 IonicContact OE1-CD2 2.95Å |
| 674 | F | 90.7 | Very high | 84.4 | Confident | 8 Ų | 8 | 37.2 Ų | 37.2 | 4% | 0.035 | 21% | 0.213 | C | C | . | . | trans | -106.3 | 111.6 | -170 | -65.2 | -94 | 0 | 0 | 0 | 111.3 | L507 L511 R531 A533 I672 Y678 P685 V723 | L507-F674 HydrophobicContact CD1-CB 4.16Å; L507-F674 HydrophobicContact CD1-CD1 3.44Å; L507-F674 VanDerWaalsContact CD1-CD1 3.44Å; L507-F674 HydrophobicContact CD1-CD2 3.76Å; L507-F674 HydrophobicContact CD1-CE1 3.61Å; L507-F674 HydrophobicContact CD1-CE2 3.91Å; L507-F674 HydrophobicContact CD1-CG 3.52Å; L507-F674 HydrophobicContact CD1-CZ 3.84Å; L507-F674 HydrophobicContact CD2-CB 3.83Å; L507-F674 HydrophobicContact CD2-CD2 4.23Å; L507-F674 HydrophobicContact CD2-CG 4.02Å; L507-F674 HydrophobicContact CG-CG 4.44Å; L511-F674 HydrophobicContact CD1-CE2 4.39Å; L511-F674 HydrophobicContact CD2-CE2 4.37Å; L511-F674 HydrophobicContact CD2-CZ 4.06Å; R531-F674 HydrophobicContact CB-CB 4.3Å; R531-F674 WeakPolarHBondContact CB-O 3.44Å; R531-F674 PolarHBondContact NE-O 3.13Å; R531-F674 WeakPolarHBondContact O-CD2 3.44Å; R531-F674 PolarHBondContact O-N 2.88Å; A533-F674 HydrophobicContact CB-CE2 4.14Å; I672-F674 HydrophobicContact CB-CE2 3.86Å; I672-F674 HydrophobicContact CB-CZ 4.12Å; I672-F674 HydrophobicContact CG2-CD2 4.09Å; I672-F674 HydrophobicContact CG2-CE1 3.99Å; I672-F674 HydrophobicContact CG2-CE2 3.53Å; I672-F674 HydrophobicContact CG2-CZ 3.47Å; I672-F674 VanDerWaalsContact CG2-CZ 3.47Å; F674-Y678 AromaticContact CD1-CD1 3.9Å; F674-Y678 HydrophobicContact CD1-CD1 3.9Å; F674-Y678 HydrophobicContact CD1-CD2 4.18Å; F674-Y678 AromaticContact CD1-CE1 3.94Å; F674-Y678 HydrophobicContact CD1-CE1 3.94Å; F674-Y678 HydrophobicContact CD1-CE2 4.23Å; F674-Y678 HydrophobicContact CD1-CG 4.03Å; F674-Y678 HydrophobicContact CE1-CE1 4.12Å; F674-Y678 HydrophobicContact CE1-CE2 4.47Å; F674-P685 HydrophobicContact CD1-CB 3.72Å; F674-P685 HydrophobicContact CD1-CG 4.29Å; F674-P685 HydrophobicContact CE1-CB 4.06Å; F674-P685 HydrophobicContact CE1-CG 4.31Å; F674-P685 HydrophobicContact CG-CB 4.25Å; F674-V723 HydrophobicContact CE1-CG2 3.51Å; F674-V723 HydrophobicContact CZ-CG2 3.56Å | ||
| 675 | P | 88.1 | Confident | 85 | Confident | 49 Ų | 49 | 35 Ų | 35 | 32% | 0.318 | 20% | 0.202 | S | C | . | . | trans | -60.4 | 151.2 | 178.9 | 26.9 | -36.5 | 0 | 0 | 0 | 111.6 | R531 N677 Y678 A683 I684 | R531-P675 PolarHBondContact NH2-O 3.16Å; P675-N677 PolarHBondContact O-N 2.73Å; P675-Y678 VanDerWaalsContact O-CB 3.25Å; P675-Y678 WeakPolarHBondContact O-CB 3.33Å; P675-Y678 PolarHBondContact O-N 2.74Å; P675-A683 HydrophobicContact CB-CB 4.42Å; P675-A683 HydrophobicContact CG-CB 3.84Å; P675-I684 WeakPolarHBondContact CG-O 3.31Å | ||
| 676 | D | 82.3 | Confident | 85.3 | Confident | 117 Ų | 117 | 40.4 Ų | 40.4 | 63% | 0.626 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -39.2 | -169.3 | -61.1 | -55.7 | 0 | 0 | 0 | 114.4 | A503 R531 Y678 | A503-D676 VanDerWaalsContact CB-O 3.31Å; A503-D676 WeakPolarHBondContact CB-O 3.39Å; R531-D676 WeakPolarHBondContact CD-OD1 3.29Å; R531-D676 VanDerWaalsContact CZ-CA 3.41Å; R531-D676 VanDerWaalsContact CZ-O 3.26Å; R531-D676 IonicContact NE-OD1 2.68Å; R531-D676 PolarHBondContact NH1-O 3.27Å; R531-D676 VanDerWaalsContact NH1-O 3.15Å; R531-D676 PolarHBondContact NH2-O 3.18Å; D676-Y678 VanDerWaalsContact C-N 3.35Å; D676-Y678 PolarHBondContact O-N 3.31Å |
| 677 | N | 81.6 | Confident | 85.6 | Confident | 85 Ų | 85 | 41.7 Ų | 41.7 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -5.2 | -178.2 | -69.8 | -56.5 | 0 | 0 | 0 | 114.8 | P675 L680 A683 | P675-N677 PolarHBondContact O-N 2.73Å; N677-L680 WeakPolarHBondContact O-CA 3.23Å; N677-L680 VanDerWaalsContact O-CB 3.29Å; N677-L680 WeakPolarHBondContact O-CB 3.34Å; N677-L680 PolarHBondContact O-N 3.38Å; N677-A683 HydrophobicContact CB-CB 4Å |
| 678 | Y | 84 | Confident | 85.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 132.6 | -178.4 | 178 | -91.1 | 0 | 0 | 0 | 112.1 | A503 F506 L507 E510 F674 P675 D676 A683 P685 V716 G721 C722 | A503-Y678 WeakPolarHBondContact CB-O 3.47Å; F506-Y678 HydrophobicContact CD1-CE1 4.15Å; F506-Y678 HydrophobicContact CE1-CE1 4.17Å; L507-Y678 HydrophobicContact CD1-CD1 4.3Å; L507-Y678 HydrophobicContact CD1-CE1 4.31Å; E510-Y678 VanDerWaalsContact CD-OH 3.3Å; E510-Y678 PolarHBondContact OE1-OH 3.13Å; E510-Y678 VanDerWaalsContact OE2-CE1 3.27Å; E510-Y678 WeakPolarHBondContact OE2-CE1 3.43Å; E510-Y678 VanDerWaalsContact OE2-CZ 3.31Å; E510-Y678 PolarHBondContact OE2-OH 2.99Å; F674-Y678 AromaticContact CD1-CD1 3.9Å; F674-Y678 HydrophobicContact CD1-CD1 3.9Å; F674-Y678 HydrophobicContact CD1-CD2 4.18Å; F674-Y678 AromaticContact CD1-CE1 3.94Å; F674-Y678 HydrophobicContact CD1-CE1 3.94Å; F674-Y678 HydrophobicContact CD1-CE2 4.23Å; F674-Y678 HydrophobicContact CD1-CG 4.03Å; F674-Y678 HydrophobicContact CE1-CE1 4.12Å; F674-Y678 HydrophobicContact CE1-CE2 4.47Å; P675-Y678 VanDerWaalsContact O-CB 3.25Å; P675-Y678 WeakPolarHBondContact O-CB 3.33Å; P675-Y678 PolarHBondContact O-N 2.74Å; D676-Y678 VanDerWaalsContact C-N 3.35Å; D676-Y678 PolarHBondContact O-N 3.31Å; Y678-A683 WeakPolarHBondContact CD2-O 3.44Å; Y678-P685 HydrophobicContact CD2-CG 4.3Å; Y678-P685 HydrophobicContact CE2-CG 3.94Å; Y678-V716 HydrophobicContact CD2-CG2 4.37Å; Y678-V716 HydrophobicContact CE2-CG2 3.79Å; Y678-G721 WeakPolarHBondContact OH-CA 3.35Å; Y678-C722 PolarHBondContact OH-N 3.12Å; Y678-C722 VanDerWaalsContact OH-N 3.13Å |
| 679 | P | 75.8 | Confident | 85.6 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.032 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -98 | 17.1 | 2.5 | 42.1 | -39.9 | 0 | 0 | 0 | 113.4 | F506 | F506-P679 HydrophobicContact CD1-CB 4.42Å; F506-P679 HydrophobicContact CD1-CG 3.68Å; F506-P679 HydrophobicContact CD2-CG 4.12Å; F506-P679 HydrophobicContact CE1-CB 4.13Å; F506-P679 HydrophobicContact CE1-CG 3.62Å; F506-P679 HydrophobicContact CE2-CG 4.05Å; F506-P679 HydrophobicContact CG-CG 3.94Å; F506-P679 HydrophobicContact CZ-CG 3.82Å |
| 680 | L | 75.7 | Confident | 85.5 | Confident | 54 Ų | 54 | 49.3 Ų | 49.3 | 28% | 0.283 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -78 | 160.9 | -176.6 | -55.6 | 175 | 0 | 0 | 0 | 111.2 | N677 G682 A683 | N677-L680 WeakPolarHBondContact O-CA 3.23Å; N677-L680 VanDerWaalsContact O-CB 3.29Å; N677-L680 WeakPolarHBondContact O-CB 3.34Å; N677-L680 PolarHBondContact O-N 3.38Å; L680-G682 PolarHBondContact O-N 2.94Å; L680-A683 WeakPolarHBondContact O-CB 3.25Å; L680-A683 PolarHBondContact O-N 2.77Å |
| 681 | N | 69.3 | Low | 85.2 | Confident | 143 Ų | 143 | 53 Ų | 53 | 77% | 0.765 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | 54 | 20.3 | 173.1 | -60.9 | -14.5 | 0 | 0 | 0 | 116.3 | A683 | N681-A683 VanDerWaalsContact C-N 3.34Š|
| 682 | G | 72.3 | Confident | 84.9 | Confident | 36 Ų | 36 | 53 Ų | 53 | 37% | 0.371 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | 75.8 | 18.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L680 I684 | L680-G682 PolarHBondContact O-N 2.94Å; G682-I684 PolarHBondContact O-N 2.79Å |
| 683 | A | 82.5 | Confident | 84.4 | Confident | 21 Ų | 21 | 55 Ų | 55 | 17% | 0.174 | 30% | 0.302 | C | S | . | . | trans | -71.1 | 89.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P675 N677 Y678 L680 N681 | P675-A683 HydrophobicContact CB-CB 4.42Å; P675-A683 HydrophobicContact CG-CB 3.84Å; N677-A683 HydrophobicContact CB-CB 4Å; Y678-A683 WeakPolarHBondContact CD2-O 3.44Å; L680-A683 WeakPolarHBondContact O-CB 3.25Å; L680-A683 PolarHBondContact O-N 2.77Å; N681-A683 VanDerWaalsContact C-N 3.34Å | ||
| 684 | I | 86.8 | Confident | 84 | Confident | 39 Ų | 39 | 53.3 Ų | 53.3 | 20% | 0.2 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 135.3 | -178.2 | -68.7 | 158.7 | 0 | 0 | 0 | 110.6 | P675 G682 Y709 A712 V716 | P675-I684 WeakPolarHBondContact CG-O 3.31Å; G682-I684 PolarHBondContact O-N 2.79Å; I684-Y709 HydrophobicContact CD1-CE2 4.19Å; I684-Y709 HydrophobicContact CG2-CD2 4.22Å; I684-Y709 HydrophobicContact CG2-CE2 4.15Å; I684-A712 HydrophobicContact CG2-CB 3.96Å; I684-V716 HydrophobicContact CG1-CB 4.47Å |
| 685 | P | 89.7 | Confident | 83.6 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 146.9 | 172.6 | 30.3 | -32.8 | 0 | 0 | 0 | 111.8 | I672 E673 F674 Y678 F687 | I672-P685 HydrophobicContact CG2-CB 3.89Å; E673-P685 CarbonylContact O-C 3.37Å; E673-P685 VanDerWaalsContact O-CA 3.28Å; E673-P685 WeakPolarHBondContact O-CA 3.49Å; E673-P685 WeakPolarHBondContact O-CB 3.42Å; F674-P685 HydrophobicContact CD1-CB 3.72Å; F674-P685 HydrophobicContact CD1-CG 4.29Å; F674-P685 HydrophobicContact CE1-CB 4.06Å; F674-P685 HydrophobicContact CE1-CG 4.31Å; F674-P685 HydrophobicContact CG-CB 4.25Å; Y678-P685 HydrophobicContact CD2-CG 4.3Å; Y678-P685 HydrophobicContact CE2-CG 3.94Å; P685-F687 HydrophobicContact CG-CE2 3.9Å; P685-F687 HydrophobicContact CG-CZ 3.94Å; P685-F687 VanDerWaalsContact O-CD2 3.27Å; P685-F687 WeakPolarHBondContact O-CD2 3.34Å; P685-F687 VanDerWaalsContact O-CE2 3.29Å; P685-F687 WeakPolarHBondContact O-CE2 3.28Å |
| 686 | E | 89.8 | Confident | 83.4 | Confident | 127 Ų | 127 | 56.2 Ų | 56.2 | 59% | 0.593 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 148.3 | 174.7 | -62.8 | -156.8 | -163.5 | 0 | 0 | 111.1 | I672 E673 H688 | I672-E686 WeakPolarHBondContact CA-O 3.38Å; E673-E686 PolarHBondContact N-O 3.47Å; E673-E686 PolarHBondContact O-N 2.86Å; E686-H688 IonicContact OE2-CE1 2.77Å; E686-H688 IonicContact OE2-NE2 3.95Å |
| 687 | F | 91.4 | Very high | 83.5 | Confident | 28 Ų | 28 | 51.2 Ų | 51.2 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 112.1 | -172.1 | -68.4 | -87.4 | 0 | 0 | 0 | 110.2 | L670 I672 P685 L708 A712 C726 | L670-F687 HydrophobicContact CD1-CB 4.29Å; L670-F687 HydrophobicContact CD1-CD1 4.4Å; L670-F687 HydrophobicContact CD2-CD1 4.21Å; I672-F687 HydrophobicContact CD1-CD1 4.2Å; I672-F687 HydrophobicContact CD1-CE1 3.84Å; I672-F687 HydrophobicContact CG1-CD1 3.89Å; I672-F687 HydrophobicContact CG1-CE1 4.01Å; I672-F687 HydrophobicContact CG2-CD1 4.23Å; I672-F687 HydrophobicContact CG2-CE1 4.04Å; P685-F687 HydrophobicContact CG-CE2 3.9Å; P685-F687 HydrophobicContact CG-CZ 3.94Å; P685-F687 VanDerWaalsContact O-CD2 3.27Å; P685-F687 WeakPolarHBondContact O-CD2 3.34Å; P685-F687 VanDerWaalsContact O-CE2 3.29Å; P685-F687 WeakPolarHBondContact O-CE2 3.28Å; F687-L708 HydrophobicContact CB-CD1 3.97Å; F687-L708 HydrophobicContact CD1-CB 4.48Å; F687-L708 HydrophobicContact CD1-CD1 4.07Å; F687-L708 HydrophobicContact CD1-CD2 4.2Å; F687-L708 HydrophobicContact CD2-CB 4.17Å; F687-L708 HydrophobicContact CE1-CD2 4.18Å; F687-L708 HydrophobicContact CE2-CB 4.46Å; F687-L708 HydrophobicContact CG-CB 4.18Å; F687-L708 HydrophobicContact CG-CD1 4.09Å; F687-A712 HydrophobicContact CE2-CB 3.9Å; F687-A712 HydrophobicContact CZ-CB 4.38Å; F687-C726 HydrophobicContact CE1-CB 4.28Å; F687-C726 HydrophobicContact CZ-CB 4.13Å |
| 688 | H | 90.5 | Very high | 83.5 | Confident | 68 Ų | 68 | 51 Ų | 51 | 32% | 0.315 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 119.8 | -178.2 | -46.6 | -73.4 | 0 | 0 | 0 | 110.4 | S671 E673 E686 L690 | S671-H688 PolarHBondContact N-O 2.71Å; S671-H688 PolarHBondContact O-N 3.08Å; E673-H688 IonicContact OE1-CD2 2.95Å; E686-H688 IonicContact OE2-CE1 2.77Å; E686-H688 IonicContact OE2-NE2 3.95Å; H688-L690 PolarHBondContact O-N 3Å |
| 689 | V | 88.7 | Confident | 83.4 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 118.7 | 170.7 | 176.1 | 0 | 0 | 0 | 0 | 108.3 | I668 I669 L670 L701 L704 | I668-V689 HydrophobicContact CG2-CG1 3.67Å; I668-V689 HydrophobicContact CG2-CG2 4.28Å; I669-V689 CarbonylContact O-C 3.5Å; I669-V689 WeakPolarHBondContact O-CA 3.4Å; L670-V689 HydrophobicContact CD1-CG2 4.17Å; V689-L701 HydrophobicContact CG1-CD2 4.4Å; V689-L704 HydrophobicContact CG2-CD2 3.93Å |
| 690 | L | 87.9 | Confident | 83.9 | Confident | 104 Ų | 104 | 56.4 Ų | 56.4 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -38.9 | -177.5 | -60.6 | -177.3 | 0 | 0 | 0 | 112.6 | I669 H688 | I669-L690 HydrophobicContact CB-CB 4.2Å; I669-L690 HydrophobicContact CG2-CB 4.09Å; I669-L690 HydrophobicContact CG2-CD1 4.04Å; I669-L690 HydrophobicContact CG2-CG 4.46Å; I669-L690 PolarHBondContact O-N 2.97Å; H688-L690 PolarHBondContact O-N 3Å |
| 691 | D | 86.5 | Confident | 84.4 | Confident | 79 Ų | 79 | 55.7 Ų | 55.7 | 42% | 0.422 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 155.1 | -179.2 | -178.9 | 39.4 | 0 | 0 | 0 | 111.5 | I668 I669 | I668-D691 WeakPolarHBondContact CA-O 3.45Å; I669-D691 HydrophobicContact CB-CB 4.31Å; I669-D691 HydrophobicContact CD1-CB 4.04Å; I669-D691 HydrophobicContact CG1-CB 4.12Å; I669-D691 PolarHBondContact N-O 2.81Å |
| 692 | C | 86.4 | Confident | 85.1 | Confident | 17 Ų | 17 | 52.8 Ų | 52.8 | 12% | 0.115 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 116.7 | 177.1 | -75.6 | 0 | 0 | 0 | 0 | 110.1 | P694 P695 L696 | C692-P694 CarbonylContact C-O 3.57Å; C692-P694 CarbonylContact O-C 3.08Å; C692-P695 WeakPolarHBondContact O-CA 3.36Å; C692-P695 VanDerWaalsContact O-N 3.1Å; C692-L696 HydrophobicContact CB-CG 4.4Å |
| 693 | S | 81.6 | Confident | 85.8 | Confident | 43 Ų | 43 | 55.1 Ų | 55.1 | 30% | 0.301 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 103.2 | -176.4 | 34.8 | 0 | 0 | 0 | 0 | 111.2 | G666 S667 | G666-S693 CarbonylContact C-O 3.35Å; G666-S693 WeakPolarHBondContact CA-O 3.31Å; S667-S693 PolarHBondContact N-O 3.15Å; S667-S693 PolarHBondContact O-N 2.91Å; S667-S693 PolarHBondContact O-OG 3.32Å; S667-S693 PolarHBondContact OG-O 3.47Å; S667-S693 PolarHBondContact OG-OG 3.41Å |
| 694 | P | 83 | Confident | 86.2 | Confident | 59 Ų | 59 | 54.2 Ų | 54.2 | 38% | 0.383 | 29% | 0.294 | S | S | . | . | S | Bend | cis | -72.1 | 164.9 | -5.2 | 32.6 | -36.4 | 0 | 0 | 0 | 113.1 | P663 C692 | P663-P694 HydrophobicContact CB-CG 3.6Å; P663-P694 HydrophobicContact CG-CG 3.91Å; C692-P694 CarbonylContact C-O 3.57Å; C692-P694 CarbonylContact O-C 3.08Å |
| 695 | P | 81.7 | Confident | 86.3 | Confident | 102 Ų | 102 | 58.7 Ų | 58.7 | 66% | 0.662 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 141.9 | -179 | 23.2 | -34.7 | 0 | 0 | 0 | 112.3 | C692 | C692-P695 WeakPolarHBondContact O-CA 3.36Å; C692-P695 VanDerWaalsContact O-N 3.1Å |
| 696 | L | 84.3 | Confident | 86.2 | Confident | 16 Ų | 16 | 63.1 Ų | 63.1 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -98.6 | 150.9 | -178.4 | -73.1 | 175.2 | 0 | 0 | 0 | 112 | Y539 M662 P663 I668 C692 V700 L701 L734 | Y539-L696 WeakPolarHBondContact OH-CD2 3.48Å; M662-L696 HydrophobicContact CE-CD2 4.28Å; M662-L696 HydrophobicContact SD-CD2 3.63Å; P663-L696 HydrophobicContact CG-CD2 3.74Å; I668-L696 HydrophobicContact CD1-CD1 3.53Å; I668-L696 HydrophobicContact CG1-CD1 4.15Å; C692-L696 HydrophobicContact CB-CG 4.4Å; L696-V700 HydrophobicContact CD1-CG1 4.2Å; L696-V700 HydrophobicContact CD2-CG1 4.36Å; L696-L701 HydrophobicContact CB-CD2 4.08Å; L696-L701 HydrophobicContact CB-CG 4.21Å; L696-L701 HydrophobicContact CD1-CD2 4.09Å; L696-L734 HydrophobicContact CD1-CD2 3.85Å |
| 697 | P | 83.2 | Confident | 86.2 | Confident | 11 Ų | 11 | 58.1 Ų | 58.1 | 7% | 0.071 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 145 | 169.5 | -20.6 | 32.1 | 0 | 0 | 0 | 111.7 | C660 E699 V700 L701 | C660-P697 HydrophobicContact CB-CG 4.4Å; P697-E699 WeakPolarHBondContact CB-OE2 3.5Å; P697-E699 PolarHBondContact O-N 2.86Å; P697-V700 HydrophobicContact CB-CG2 4.13Å; P697-V700 HydrophobicContact CG-CG2 4.12Å; P697-V700 WeakPolarHBondContact O-CB 3.25Å; P697-V700 PolarHBondContact O-N 2.91Å; P697-L701 PolarHBondContact O-N 3.44Å |
| 698 | P | 81.5 | Confident | 86.1 | Confident | 81 Ų | 81 | 56.9 Ų | 56.9 | 53% | 0.526 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.8 | -32.8 | -177.1 | 24.9 | -33.7 | 0 | 0 | 0 | 112.8 | V700 L701 D702 | P698-V700 VanDerWaalsContact C-N 3.26Å; P698-V700 PolarHBondContact O-N 2.75Å; P698-L701 PolarHBondContact O-N 3.03Å; P698-L701 VanDerWaalsContact O-N 3.12Å; P698-D702 PolarHBondContact O-N 2.96Å |
| 699 | E | 82.8 | Confident | 86.2 | Confident | 116 Ų | 116 | 60.5 Ų | 60.5 | 54% | 0.542 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.2 | -33.5 | 177.5 | -50.8 | 81 | -179.3 | 0 | 0 | 111.9 | P697 E703 | P697-E699 WeakPolarHBondContact CB-OE2 3.5Å; P697-E699 PolarHBondContact O-N 2.86Å; E699-E703 WeakPolarHBondContact O-CB 3.3Å; E699-E703 PolarHBondContact O-N 3.32Å; E699-E703 VanDerWaalsContact O-N 3.08Å |
| 700 | V | 85.3 | Confident | 86.1 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.1 | -36.8 | 175.8 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | M662 L696 P697 P698 L704 L734 Y737 | M662-V700 HydrophobicContact CE-CG1 3.64Å; M662-V700 HydrophobicContact CE-CG2 4.18Å; M662-V700 HydrophobicContact SD-CG1 4.16Å; M662-V700 HydrophobicContact SD-CG2 3.94Å; L696-V700 HydrophobicContact CD1-CG1 4.2Å; L696-V700 HydrophobicContact CD2-CG1 4.36Å; P697-V700 HydrophobicContact CB-CG2 4.13Å; P697-V700 HydrophobicContact CG-CG2 4.12Å; P697-V700 WeakPolarHBondContact O-CB 3.25Å; P697-V700 PolarHBondContact O-N 2.91Å; P698-V700 VanDerWaalsContact C-N 3.26Å; P698-V700 PolarHBondContact O-N 2.75Å; V700-L704 VanDerWaalsContact O-CB 3.23Å; V700-L704 WeakPolarHBondContact O-CB 3.36Å; V700-L704 PolarHBondContact O-N 3.14Å; V700-L734 HydrophobicContact CG1-CD2 4.03Å; V700-Y737 HydrophobicContact CG2-CD1 3.96Å; V700-Y737 HydrophobicContact CG2-CD2 4.21Å; V700-Y737 HydrophobicContact CG2-CE1 3.66Å; V700-Y737 HydrophobicContact CG2-CE2 3.93Å; V700-Y737 HydrophobicContact CG2-CG 4.22Å |
| 701 | L | 86.7 | Confident | 86.2 | Confident | 40 Ų | 40 | 56.9 Ų | 56.9 | 21% | 0.209 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.5 | -40.5 | 178.6 | -65.1 | 175.3 | 0 | 0 | 0 | 111.8 | V689 L696 P697 P698 L704 R705 | V689-L701 HydrophobicContact CG1-CD2 4.4Å; L696-L701 HydrophobicContact CB-CD2 4.08Å; L696-L701 HydrophobicContact CB-CG 4.21Å; L696-L701 HydrophobicContact CD1-CD2 4.09Å; P697-L701 PolarHBondContact O-N 3.44Å; P698-L701 PolarHBondContact O-N 3.03Å; P698-L701 VanDerWaalsContact O-N 3.12Å; L701-L704 PolarHBondContact O-N 2.95Å; L701-R705 VanDerWaalsContact O-CG 3.29Å; L701-R705 WeakPolarHBondContact O-CG 3.31Å; L701-R705 PolarHBondContact O-N 2.76Å |
| 702 | D | 85.4 | Confident | 86.3 | Confident | 82 Ų | 82 | 53.1 Ų | 53.1 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -71 | -37.5 | 176.1 | -73.6 | -21.1 | 0 | 0 | 0 | 112.1 | P698 R705 N706 | P698-D702 PolarHBondContact O-N 2.96Å; D702-R705 WeakPolarHBondContact O-CB 3.46Å; D702-R705 PolarHBondContact O-N 3.4Å; D702-R705 IonicContact OD1-CZ 3.92Å; D702-R705 IonicContact OD1-NH1 2.69Å; D702-R705 PolarHBondContact OD1-NH1 3.2Å; D702-N706 PolarHBondContact O-N 2.74Å; D702-N706 PolarHBondContact O-ND2 3.39Å |
| 703 | E | 86.7 | Confident | 86.3 | Confident | 84 Ų | 84 | 54.6 Ų | 54.6 | 39% | 0.393 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.7 | -36.5 | 172.5 | -174.7 | 60.9 | -177.2 | 0 | 0 | 112.4 | E699 N706 V707 T733 Y737 | E699-E703 WeakPolarHBondContact O-CB 3.3Å; E699-E703 PolarHBondContact O-N 3.32Å; E699-E703 VanDerWaalsContact O-N 3.08Å; E703-N706 WeakPolarHBondContact O-CB 3.19Å; E703-N706 PolarHBondContact O-N 2.85Å; E703-N706 PolarHBondContact OE2-ND2 2.89Å; E703-V707 WeakPolarHBondContact O-CB 3.41Å; E703-V707 VanDerWaalsContact O-CG2 3.31Å; E703-V707 WeakPolarHBondContact O-CG2 3.48Å; E703-V707 PolarHBondContact O-N 3.48Å; E703-T733 HydrophobicContact CG-CG2 4.28Å; E703-Y737 HydrophobicContact CB-CE2 4.45Å |
| 704 | L | 89.1 | Confident | 86.4 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 172.8 | 179.9 | 141.5 | 0 | 0 | 0 | 111.7 | I668 V689 V700 L701 V707 L708 A730 L734 | I668-L704 HydrophobicContact CD1-CD1 4Å; V689-L704 HydrophobicContact CG2-CD2 3.93Å; V700-L704 VanDerWaalsContact O-CB 3.23Å; V700-L704 WeakPolarHBondContact O-CB 3.36Å; V700-L704 PolarHBondContact O-N 3.14Å; L701-L704 PolarHBondContact O-N 2.95Å; L704-V707 PolarHBondContact O-N 3.14Å; L704-L708 HydrophobicContact CD2-CD1 3.64Å; L704-L708 HydrophobicContact CD2-CG 4.44Å; L704-L708 HydrophobicContact CG-CD1 4.37Å; L704-L708 WeakPolarHBondContact O-CG 3.26Å; L704-L708 PolarHBondContact O-N 3.03Å; L704-A730 HydrophobicContact CD1-CB 4.23Å; L704-A730 HydrophobicContact CG-CB 4.4Å; L704-L734 HydrophobicContact CD1-CD1 3.79Å; L704-L734 HydrophobicContact CD1-CD2 3.89Å; L704-L734 HydrophobicContact CD1-CG 3.89Å |
| 705 | R | 89.3 | Confident | 86.6 | Confident | 134 Ų | 134 | 56 Ų | 56 | 51% | 0.506 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 171.7 | -74.5 | 163.9 | 169.2 | 167.9 | -4.8 | 111.9 | L701 D702 V707 L708 Y709 | L701-R705 VanDerWaalsContact O-CG 3.29Å; L701-R705 WeakPolarHBondContact O-CG 3.31Å; L701-R705 PolarHBondContact O-N 2.76Å; D702-R705 WeakPolarHBondContact O-CB 3.46Å; D702-R705 PolarHBondContact O-N 3.4Å; D702-R705 IonicContact OD1-CZ 3.92Å; D702-R705 IonicContact OD1-NH1 2.69Å; D702-R705 PolarHBondContact OD1-NH1 3.2Å; R705-V707 VanDerWaalsContact C-N 3.32Å; R705-V707 PolarHBondContact O-N 3.3Å; R705-L708 PolarHBondContact O-N 3.42Å; R705-Y709 WeakPolarHBondContact O-CB 3.36Å; R705-Y709 PolarHBondContact O-N 3.03Å |
| 706 | N | 88.1 | Confident | 86.7 | Confident | 94 Ų | 94 | 51.1 Ų | 51.1 | 50% | 0.503 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.8 | -42.8 | 176.5 | -69.8 | -29.6 | 0 | 0 | 0 | 112 | D702 E703 S710 | D702-N706 PolarHBondContact O-N 2.74Å; D702-N706 PolarHBondContact O-ND2 3.39Å; E703-N706 WeakPolarHBondContact O-CB 3.19Å; E703-N706 PolarHBondContact O-N 2.85Å; E703-N706 PolarHBondContact OE2-ND2 2.89Å; N706-S710 VanDerWaalsContact O-CB 3.22Å; N706-S710 WeakPolarHBondContact O-CB 3.14Å; N706-S710 PolarHBondContact O-N 3.4Å; N706-S710 PolarHBondContact O-OG 3.49Å |
| 707 | V | 88.9 | Confident | 86.5 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 13% | 0.127 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.3 | -43.4 | 179.3 | 168.5 | 0 | 0 | 0 | 0 | 111.7 | E703 L704 R705 S710 T711 N729 T733 | E703-V707 WeakPolarHBondContact O-CB 3.41Å; E703-V707 VanDerWaalsContact O-CG2 3.31Å; E703-V707 WeakPolarHBondContact O-CG2 3.48Å; E703-V707 PolarHBondContact O-N 3.48Å; L704-V707 PolarHBondContact O-N 3.14Å; R705-V707 VanDerWaalsContact C-N 3.32Å; R705-V707 PolarHBondContact O-N 3.3Å; V707-S710 PolarHBondContact O-OG 3.12Å; V707-T711 VanDerWaalsContact O-CB 3.25Å; V707-T711 WeakPolarHBondContact O-CB 3.16Å; V707-T711 PolarHBondContact O-N 2.98Å; V707-T711 PolarHBondContact O-OG1 2.97Å; V707-N729 HydrophobicContact CG1-CB 3.72Å; V707-T733 HydrophobicContact CG2-CG2 4.35Å |
| 708 | L | 90.8 | Very high | 86.3 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.5 | -53 | 174.7 | -71.9 | 172.6 | 0 | 0 | 0 | 111.2 | L670 F687 L704 R705 S710 T711 A712 C726 A730 | L670-L708 HydrophobicContact CD1-CD1 4.06Å; L670-L708 HydrophobicContact CD2-CD1 4.47Å; F687-L708 HydrophobicContact CB-CD1 3.97Å; F687-L708 HydrophobicContact CD1-CB 4.48Å; F687-L708 HydrophobicContact CD1-CD1 4.07Å; F687-L708 HydrophobicContact CD1-CD2 4.2Å; F687-L708 HydrophobicContact CD2-CB 4.17Å; F687-L708 HydrophobicContact CE1-CD2 4.18Å; F687-L708 HydrophobicContact CE2-CB 4.46Å; F687-L708 HydrophobicContact CG-CB 4.18Å; F687-L708 HydrophobicContact CG-CD1 4.09Å; L704-L708 HydrophobicContact CD2-CD1 3.64Å; L704-L708 HydrophobicContact CD2-CG 4.44Å; L704-L708 HydrophobicContact CG-CD1 4.37Å; L704-L708 WeakPolarHBondContact O-CG 3.26Å; L704-L708 PolarHBondContact O-N 3.03Å; R705-L708 PolarHBondContact O-N 3.42Å; L708-S710 PolarHBondContact O-N 3.25Å; L708-T711 PolarHBondContact O-N 3.37Å; L708-A712 WeakPolarHBondContact O-CB 3.21Å; L708-A712 PolarHBondContact O-N 2.95Å; L708-C726 HydrophobicContact CD2-CB 3.7Å; L708-C726 PolarHBondContact O-SG 3.4Å; L708-A730 HydrophobicContact CD2-CB 3.99Å; L708-A730 HydrophobicContact CG-CB 4.44Å |
| 709 | Y | 91.4 | Very high | 86 | Confident | 144 Ų | 144 | 56.8 Ų | 56.8 | 57% | 0.565 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.5 | -44 | -178 | -175.6 | -94.1 | 0 | 0 | 0 | 112.6 | I684 R705 A712 S713 | I684-Y709 HydrophobicContact CD1-CE2 4.19Å; I684-Y709 HydrophobicContact CG2-CD2 4.22Å; I684-Y709 HydrophobicContact CG2-CE2 4.15Å; R705-Y709 WeakPolarHBondContact O-CB 3.36Å; R705-Y709 PolarHBondContact O-N 3.03Å; Y709-A712 PolarHBondContact O-N 2.95Å; Y709-S713 VanDerWaalsContact O-CB 3.26Å; Y709-S713 WeakPolarHBondContact O-CB 3.23Å; Y709-S713 PolarHBondContact O-N 2.91Å |
| 710 | S | 88.1 | Confident | 85.8 | Confident | 52 Ų | 52 | 59 Ų | 59 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -70.6 | -32.6 | 179.7 | 61.8 | 0 | 0 | 0 | 0 | 113.4 | N706 V707 L708 E714 | N706-S710 VanDerWaalsContact O-CB 3.22Å; N706-S710 WeakPolarHBondContact O-CB 3.14Å; N706-S710 PolarHBondContact O-N 3.4Å; N706-S710 PolarHBondContact O-OG 3.49Å; V707-S710 PolarHBondContact O-OG 3.12Å; L708-S710 PolarHBondContact O-N 3.25Å; S710-E714 WeakPolarHBondContact O-CB 3.31Å; S710-E714 PolarHBondContact O-N 3.45Å |
| 711 | T | 88.2 | Confident | 85.6 | Confident | 12 Ų | 12 | 59.9 Ų | 59.9 | 7% | 0.074 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.6 | -42.5 | 173 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | V707 L708 L715 P725 N729 | V707-T711 VanDerWaalsContact O-CB 3.25Å; V707-T711 WeakPolarHBondContact O-CB 3.16Å; V707-T711 PolarHBondContact O-N 2.98Å; V707-T711 PolarHBondContact O-OG1 2.97Å; L708-T711 PolarHBondContact O-N 3.37Å; T711-L715 HydrophobicContact CG2-CD1 4.05Å; T711-L715 WeakPolarHBondContact O-CG 3.5Å; T711-L715 PolarHBondContact O-N 2.77Å; T711-P725 HydrophobicContact CG2-CB 3.93Å; T711-N729 WeakPolarHBondContact CG2-ND2 3.47Å; T711-N729 PolarHBondContact OG1-ND2 3.16Å |
| 712 | A | 88.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.7 | -48.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I684 F687 L708 Y709 E714 L715 V716 C722 | I684-A712 HydrophobicContact CG2-CB 3.96Å; F687-A712 HydrophobicContact CE2-CB 3.9Å; F687-A712 HydrophobicContact CZ-CB 4.38Å; L708-A712 WeakPolarHBondContact O-CB 3.21Å; L708-A712 PolarHBondContact O-N 2.95Å; Y709-A712 PolarHBondContact O-N 2.95Å; A712-E714 PolarHBondContact O-N 3.05Å; A712-L715 PolarHBondContact O-N 2.96Å; A712-V716 WeakPolarHBondContact O-CB 3.17Å; A712-V716 VanDerWaalsContact O-CG2 3.26Å; A712-V716 WeakPolarHBondContact O-CG2 3.42Å; A712-V716 PolarHBondContact O-N 3.42Å; A712-C722 HydrophobicContact CB-CB 4.26Å |
| 713 | S | 87 | Confident | 85.8 | Confident | 49 Ų | 49 | 54 Ų | 54 | 34% | 0.343 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.5 | -45.7 | 178 | -174.8 | 0 | 0 | 0 | 0 | 112.3 | Y709 L715 S717 | Y709-S713 VanDerWaalsContact O-CB 3.26Å; Y709-S713 WeakPolarHBondContact O-CB 3.23Å; Y709-S713 PolarHBondContact O-N 2.91Å; S713-L715 PolarHBondContact O-N 3.15Å; S713-S717 VanDerWaalsContact O-CB 3.23Å; S713-S717 WeakPolarHBondContact O-CB 3.44Å; S713-S717 PolarHBondContact O-N 3.29Å; S713-S717 VanDerWaalsContact O-N 3.12Å; S713-S717 PolarHBondContact O-OG 3.32Å |
| 714 | E | 85 | Confident | 85.8 | Confident | 92 Ų | 92 | 52.5 Ų | 52.5 | 43% | 0.43 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 178 | -176.2 | 167.9 | -159.9 | 0 | 0 | 112.2 | S710 A712 S717 K785 | S710-E714 WeakPolarHBondContact O-CB 3.31Å; S710-E714 PolarHBondContact O-N 3.45Å; A712-E714 PolarHBondContact O-N 3.05Å; E714-S717 PolarHBondContact O-OG 2.95Å; E714-K785 IonicContact OE1-NZ 3.92Å; E714-K785 IonicContact OE2-NZ 2.82Å; E714-K785 PolarHBondContact OE2-NZ 2.94Å |
| 715 | L | 85.3 | Confident | 85.6 | Confident | 38 Ų | 38 | 54.3 Ų | 54.3 | 20% | 0.199 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -80.3 | -42.9 | -175 | -68.2 | 171.1 | 0 | 0 | 0 | 113.6 | T711 A712 S713 S717 T718 S719 R720 C722 P725 | T711-L715 HydrophobicContact CG2-CD1 4.05Å; T711-L715 WeakPolarHBondContact O-CG 3.5Å; T711-L715 PolarHBondContact O-N 2.77Å; A712-L715 PolarHBondContact O-N 2.96Å; S713-L715 PolarHBondContact O-N 3.15Å; L715-S717 VanDerWaalsContact C-N 3.26Å; L715-S717 PolarHBondContact O-N 3.44Å; L715-T718 CarbonylContact O-C 3.56Å; L715-T718 WeakPolarHBondContact O-CA 3.39Å; L715-T718 PolarHBondContact O-N 3.03Å; L715-T718 PolarHBondContact O-OG1 3.46Å; L715-S719 PolarHBondContact O-N 3.27Å; L715-R720 PolarHBondContact O-N 3.39Å; L715-C722 HydrophobicContact CB-CB 3.88Å; L715-C722 HydrophobicContact CD1-CB 3.99Å; L715-P725 HydrophobicContact CD1-CB 3.47Å; L715-P725 VanDerWaalsContact CD1-CB 3.47Å; L715-P725 HydrophobicContact CD1-CG 3.6Å |
| 716 | V | 84.7 | Confident | 85.6 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.4 | -28.8 | 178.2 | -177.7 | 0 | 0 | 0 | 0 | 110.8 | Y678 I684 A712 T718 S719 C722 | Y678-V716 HydrophobicContact CD2-CG2 4.37Å; Y678-V716 HydrophobicContact CE2-CG2 3.79Å; I684-V716 HydrophobicContact CG1-CB 4.47Å; A712-V716 WeakPolarHBondContact O-CB 3.17Å; A712-V716 VanDerWaalsContact O-CG2 3.26Å; A712-V716 WeakPolarHBondContact O-CG2 3.42Å; A712-V716 PolarHBondContact O-N 3.42Å; V716-T718 PolarHBondContact O-N 3.45Å; V716-T718 VanDerWaalsContact O-N 3.14Å; V716-S719 PolarHBondContact O-N 3.31Å; V716-C722 HydrophobicContact CG2-CB 4.18Å |
| 717 | S | 79.3 | Confident | 85.6 | Confident | 90 Ų | 90 | 43.7 Ų | 43.7 | 63% | 0.629 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -20.4 | 169.4 | 79.6 | 0 | 0 | 0 | 0 | 113.9 | S713 E714 L715 | S713-S717 VanDerWaalsContact O-CB 3.23Å; S713-S717 WeakPolarHBondContact O-CB 3.44Å; S713-S717 PolarHBondContact O-N 3.29Å; S713-S717 VanDerWaalsContact O-N 3.12Å; S713-S717 PolarHBondContact O-OG 3.32Å; E714-S717 PolarHBondContact O-OG 2.95Å; L715-S717 VanDerWaalsContact C-N 3.26Å; L715-S717 PolarHBondContact O-N 3.44Å |
| 718 | T | 78.9 | Confident | 85.4 | Confident | 78 Ų | 78 | 48.7 Ų | 48.7 | 48% | 0.479 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 10.7 | 174.2 | 70 | 0 | 0 | 0 | 0 | 113.4 | L715 V716 R720 | L715-T718 CarbonylContact O-C 3.56Å; L715-T718 WeakPolarHBondContact O-CA 3.39Å; L715-T718 PolarHBondContact O-N 3.03Å; L715-T718 PolarHBondContact O-OG1 3.46Å; V716-T718 PolarHBondContact O-N 3.45Å; V716-T718 VanDerWaalsContact O-N 3.14Å; T718-R720 VanDerWaalsContact C-N 3.28Å; T718-R720 PolarHBondContact O-N 3.5Å; T718-R720 WeakPolarHBondContact OG1-CD 3.44Å; T718-R720 WeakPolarHBondContact OG1-CG 3.49Å |
| 719 | S | 76.8 | Confident | 85.2 | Confident | 58 Ų | 58 | 51.6 Ų | 51.6 | 41% | 0.406 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 43.4 | -173.1 | -59.6 | 0 | 0 | 0 | 0 | 113.4 | L715 V716 | L715-S719 PolarHBondContact O-N 3.27Å; V716-S719 PolarHBondContact O-N 3.31Å |
| 720 | R | 77.9 | Confident | 85 | Confident | 163 Ų | 163 | 44.7 Ų | 44.7 | 62% | 0.615 | 24% | 0.242 | S | C | * | . | trans | -113.9 | 152.5 | 174.8 | -66.1 | -179.1 | -178.6 | -166.2 | -1 | 110.7 | L715 T718 | L715-R720 PolarHBondContact O-N 3.39Å; T718-R720 VanDerWaalsContact C-N 3.28Å; T718-R720 PolarHBondContact O-N 3.5Å; T718-R720 WeakPolarHBondContact OG1-CD 3.44Å; T718-R720 WeakPolarHBondContact OG1-CG 3.49Å | ||
| 721 | G | 81.8 | Confident | 85 | Confident | 20 Ų | 20 | 42.3 Ų | 42.3 | 21% | 0.206 | 23% | 0.226 | C | C | . | . | trans | -62.6 | 136.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E510 Y678 | E510-G721 WeakPolarHBondContact OE1-CA 3.31Å; E510-G721 WeakPolarHBondContact OE2-CA 3.5Å; Y678-G721 WeakPolarHBondContact OH-CA 3.35Å | ||
| 722 | C | 88 | Confident | 84.7 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -112 | -12 | -176.6 | 65.8 | 0 | 0 | 0 | 0 | 115.3 | E510 Y678 A712 L715 V716 P725 C726 | E510-C722 PolarHBondContact OE1-N 2.86Å; Y678-C722 PolarHBondContact OH-N 3.12Å; Y678-C722 VanDerWaalsContact OH-N 3.13Å; A712-C722 HydrophobicContact CB-CB 4.26Å; L715-C722 HydrophobicContact CB-CB 3.88Å; L715-C722 HydrophobicContact CD1-CB 3.99Å; V716-C722 HydrophobicContact CG2-CB 4.18Å; C722-P725 WeakPolarHBondContact O-CD 3.27Å; C722-C726 VanDerWaalsContact O-CB 3.24Å; C722-C726 WeakPolarHBondContact O-CB 3.48Å; C722-C726 PolarHBondContact O-N 2.79Å; C722-C726 PolarHBondContact O-SG 2.88Å | ||
| 723 | V | 88 | Confident | 84.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.6 | -51.5 | -165.7 | -177.7 | 0 | 0 | 0 | 0 | 112 | E510 L514 I672 F674 C726 I727 | E510-V723 HydrophobicContact CG-CB 4.43Å; E510-V723 HydrophobicContact CG-CG2 4.38Å; E510-V723 WeakPolarHBondContact OE1-CB 3.29Å; E510-V723 WeakPolarHBondContact OE1-CG2 3.24Å; E510-V723 PolarHBondContact OE1-N 3.01Å; L514-V723 HydrophobicContact CD1-CG1 3.98Å; L514-V723 HydrophobicContact CD2-CG1 4.17Å; I672-V723 HydrophobicContact CD1-CG1 3.9Å; F674-V723 HydrophobicContact CE1-CG2 3.51Å; F674-V723 HydrophobicContact CZ-CG2 3.56Å; V723-C726 PolarHBondContact O-N 2.78Å; V723-I727 HydrophobicContact CG1-CD1 3.76Å; V723-I727 HydrophobicContact CG1-CG1 4.48Å; V723-I727 VanDerWaalsContact O-CG1 3.29Å; V723-I727 WeakPolarHBondContact O-CG1 3.38Å; V723-I727 PolarHBondContact O-N 3.15Å |
| 724 | E | 85.9 | Confident | 84.5 | Confident | 52 Ų | 52 | 44.2 Ų | 44.2 | 24% | 0.243 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.5 | -49.3 | 177.9 | 165.2 | 63.7 | -147.4 | 0 | 0 | 112.4 | L514 Y521 C726 I727 R728 | L514-E724 HydrophobicContact CD2-CB 3.93Å; Y521-E724 PolarHBondContact OH-OE2 2.85Å; E724-C726 PolarHBondContact O-N 2.91Å; E724-I727 PolarHBondContact O-N 3.03Å; E724-R728 WeakPolarHBondContact O-CB 3.35Å; E724-R728 PolarHBondContact O-N 2.87Å; E724-R728 IonicContact OE1-CZ 2.67Å; E724-R728 IonicContact OE1-NE 2.73Å; E724-R728 PolarHBondContact OE1-NE 2.59Å; E724-R728 IonicContact OE1-NH2 2.74Å; E724-R728 PolarHBondContact OE1-NH2 2.77Å |
| 725 | P | 85.4 | Confident | 84.4 | Confident | 40 Ų | 40 | 41.4 Ų | 41.4 | 26% | 0.26 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59 | -39.4 | 171.1 | -30.1 | 38.4 | 0 | 0 | 0 | 115 | T711 L715 C722 R728 N729 | T711-P725 HydrophobicContact CG2-CB 3.93Å; L715-P725 HydrophobicContact CD1-CB 3.47Å; L715-P725 VanDerWaalsContact CD1-CB 3.47Å; L715-P725 HydrophobicContact CD1-CG 3.6Å; C722-P725 WeakPolarHBondContact O-CD 3.27Å; P725-R728 PolarHBondContact O-N 3.42Å; P725-N729 WeakPolarHBondContact O-CB 3.48Å; P725-N729 VanDerWaalsContact O-CG 3.29Å; P725-N729 PolarHBondContact O-N 2.9Å |
| 726 | C | 89.4 | Confident | 84.1 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.7 | -48.8 | 177.1 | -78.8 | 0 | 0 | 0 | 0 | 111.4 | F687 L708 C722 V723 E724 R728 N729 A730 | F687-C726 HydrophobicContact CE1-CB 4.28Å; F687-C726 HydrophobicContact CZ-CB 4.13Å; L708-C726 HydrophobicContact CD2-CB 3.7Å; L708-C726 PolarHBondContact O-SG 3.4Å; C722-C726 VanDerWaalsContact O-CB 3.24Å; C722-C726 WeakPolarHBondContact O-CB 3.48Å; C722-C726 PolarHBondContact O-N 2.79Å; C722-C726 PolarHBondContact O-SG 2.88Å; V723-C726 PolarHBondContact O-N 2.78Å; E724-C726 PolarHBondContact O-N 2.91Å; C726-R728 VanDerWaalsContact C-N 3.34Å; C726-R728 PolarHBondContact O-N 3.18Å; C726-N729 PolarHBondContact O-N 2.74Å; C726-A730 WeakPolarHBondContact O-CB 3.43Å; C726-A730 PolarHBondContact O-N 3.31Å |
| 727 | I | 87.9 | Confident | 83.9 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.1 | -49.6 | 174.5 | -71 | 164.1 | 0 | 0 | 0 | 110.4 | L514 Y521 L535 L537 V723 E724 N729 A730 V731 | L514-I727 HydrophobicContact CD2-CD1 4.01Å; Y521-I727 HydrophobicContact CD1-CG2 3.58Å; Y521-I727 HydrophobicContact CD2-CD1 4.39Å; Y521-I727 HydrophobicContact CE1-CG2 4.15Å; Y521-I727 HydrophobicContact CE2-CD1 4.49Å; Y521-I727 HydrophobicContact CG-CG2 3.88Å; L535-I727 HydrophobicContact CD2-CD1 3.76Å; L537-I727 HydrophobicContact CD2-CG1 4.31Å; L537-I727 HydrophobicContact CD2-CG2 3.88Å; V723-I727 HydrophobicContact CG1-CD1 3.76Å; V723-I727 HydrophobicContact CG1-CG1 4.48Å; V723-I727 VanDerWaalsContact O-CG1 3.29Å; V723-I727 WeakPolarHBondContact O-CG1 3.38Å; V723-I727 PolarHBondContact O-N 3.15Å; E724-I727 PolarHBondContact O-N 3.03Å; I727-N729 PolarHBondContact O-N 3.1Å; I727-A730 PolarHBondContact O-N 3.36Å; I727-V731 WeakPolarHBondContact O-CG2 3.41Å; I727-V731 PolarHBondContact O-N 3.25Å |
| 728 | R | 85 | Confident | 83.2 | Confident | 126 Ų | 126 | 47.6 Ų | 47.6 | 48% | 0.475 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.7 | -44.3 | -177.9 | -165.7 | -175.5 | -57.9 | 172.5 | -0 | 112.3 | E724 P725 C726 V731 I732 | E724-R728 WeakPolarHBondContact O-CB 3.35Å; E724-R728 PolarHBondContact O-N 2.87Å; E724-R728 IonicContact OE1-CZ 2.67Å; E724-R728 IonicContact OE1-NE 2.73Å; E724-R728 PolarHBondContact OE1-NE 2.59Å; E724-R728 IonicContact OE1-NH2 2.74Å; E724-R728 PolarHBondContact OE1-NH2 2.77Å; P725-R728 PolarHBondContact O-N 3.42Å; C726-R728 VanDerWaalsContact C-N 3.34Å; C726-R728 PolarHBondContact O-N 3.18Å; R728-V731 PolarHBondContact O-N 3.21Å; R728-I732 HydrophobicContact CG-CD1 4.21Å; R728-I732 WeakPolarHBondContact O-CD1 3.38Å; R728-I732 VanDerWaalsContact O-CG1 3.27Å; R728-I732 WeakPolarHBondContact O-CG1 3.27Å; R728-I732 PolarHBondContact O-N 2.92Å |
| 729 | N | 86.3 | Confident | 82.1 | Confident | 63 Ų | 63 | 47.4 Ų | 47.4 | 34% | 0.337 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.7 | -40.8 | 177.2 | -73.7 | -7.3 | 0 | 0 | 0 | 111.5 | V707 T711 P725 C726 I727 I732 T733 | V707-N729 HydrophobicContact CG1-CB 3.72Å; T711-N729 WeakPolarHBondContact CG2-ND2 3.47Å; T711-N729 PolarHBondContact OG1-ND2 3.16Å; P725-N729 WeakPolarHBondContact O-CB 3.48Å; P725-N729 VanDerWaalsContact O-CG 3.29Å; P725-N729 PolarHBondContact O-N 2.9Å; C726-N729 PolarHBondContact O-N 2.74Å; I727-N729 PolarHBondContact O-N 3.1Å; N729-I732 PolarHBondContact O-N 3.35Å; N729-T733 PolarHBondContact O-N 2.97Å; N729-T733 PolarHBondContact O-OG1 3.41Å; N729-T733 VanDerWaalsContact O-OG1 3.12Å |
| 730 | A | 88.1 | Confident | 80 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61 | -45.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L537 L704 L708 C726 I727 I732 T733 L734 | L537-A730 HydrophobicContact CD1-CB 4.33Å; L704-A730 HydrophobicContact CD1-CB 4.23Å; L704-A730 HydrophobicContact CG-CB 4.4Å; L708-A730 HydrophobicContact CD2-CB 3.99Å; L708-A730 HydrophobicContact CG-CB 4.44Å; C726-A730 WeakPolarHBondContact O-CB 3.43Å; C726-A730 PolarHBondContact O-N 3.31Å; I727-A730 PolarHBondContact O-N 3.36Å; A730-I732 PolarHBondContact O-N 2.87Å; A730-T733 PolarHBondContact O-N 3.04Å; A730-L734 WeakPolarHBondContact O-CD1 3.15Å; A730-L734 VanDerWaalsContact O-CG 3.26Å; A730-L734 WeakPolarHBondContact O-CG 3.1Å; A730-L734 PolarHBondContact O-N 2.87Å |
| 731 | V | 86.3 | Confident | 77.6 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 175 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | Q520 I727 R728 T733 L734 Q735 | Q520-V731 HydrophobicContact CG-CG1 4.48Å; I727-V731 WeakPolarHBondContact O-CG2 3.41Å; I727-V731 PolarHBondContact O-N 3.25Å; R728-V731 PolarHBondContact O-N 3.21Å; V731-T733 PolarHBondContact O-N 2.96Å; V731-L734 PolarHBondContact O-N 3.48Å; V731-Q735 HydrophobicContact CG1-CG 4.44Å; V731-Q735 VanDerWaalsContact O-CG 3.29Å; V731-Q735 WeakPolarHBondContact O-CG 3.26Å; V731-Q735 PolarHBondContact O-N 2.97Å |
| 732 | I | 83 | Confident | 75.1 | Confident | 77 Ų | 77 | 56.5 Ų | 56.5 | 40% | 0.395 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 176.4 | -70.4 | 165.2 | 0 | 0 | 0 | 111.4 | R728 N729 A730 L734 Q735 T736 | R728-I732 HydrophobicContact CG-CD1 4.21Å; R728-I732 WeakPolarHBondContact O-CD1 3.38Å; R728-I732 VanDerWaalsContact O-CG1 3.27Å; R728-I732 WeakPolarHBondContact O-CG1 3.27Å; R728-I732 PolarHBondContact O-N 2.92Å; N729-I732 PolarHBondContact O-N 3.35Å; A730-I732 PolarHBondContact O-N 2.87Å; I732-L734 PolarHBondContact O-N 2.82Å; I732-Q735 PolarHBondContact O-N 3.15Å; I732-T736 HydrophobicContact CG2-CG2 4.27Å; I732-T736 WeakPolarHBondContact O-CB 3.26Å; I732-T736 WeakPolarHBondContact O-CG2 3.36Å; I732-T736 PolarHBondContact O-N 3.2Å; I732-T736 PolarHBondContact O-OG1 2.83Å |
| 733 | T | 85.6 | Confident | 72.4 | Confident | 23 Ų | 23 | 65.4 Ų | 65.4 | 14% | 0.141 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.1 | -46 | 177.4 | -63.7 | 0 | 0 | 0 | 0 | 111.4 | E703 V707 N729 A730 V731 Q735 T736 Y737 | E703-T733 HydrophobicContact CG-CG2 4.28Å; V707-T733 HydrophobicContact CG2-CG2 4.35Å; N729-T733 PolarHBondContact O-N 2.97Å; N729-T733 PolarHBondContact O-OG1 3.41Å; N729-T733 VanDerWaalsContact O-OG1 3.12Å; A730-T733 PolarHBondContact O-N 3.04Å; V731-T733 PolarHBondContact O-N 2.96Å; T733-Q735 VanDerWaalsContact C-N 3.31Å; T733-Q735 PolarHBondContact O-N 2.69Å; T733-T736 PolarHBondContact O-N 3.13Å; T733-Y737 WeakPolarHBondContact O-CB 3.39Å; T733-Y737 PolarHBondContact O-N 2.98Å |
| 734 | L | 85.5 | Confident | 69.8 | Low | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.8 | -35.7 | 176.9 | -66.8 | 161.7 | 0 | 0 | 0 | 112.7 | Y539 R541 M662 I668 L696 V700 L704 A730 V731 I732 | Y539-L734 HydrophobicContact CD1-CB 4.3Å; Y539-L734 HydrophobicContact CD1-CD1 3.89Å; Y539-L734 HydrophobicContact CD1-CG 4.47Å; Y539-L734 HydrophobicContact CD2-CB 4.08Å; Y539-L734 HydrophobicContact CG-CB 3.81Å; Y539-L734 HydrophobicContact CG-CD1 4.16Å; Y539-L734 HydrophobicContact CG-CG 4.46Å; R541-L734 VanDerWaalsContact CG-O 3.29Å; R541-L734 WeakPolarHBondContact CG-O 3.47Å; M662-L734 HydrophobicContact CE-CD2 4.19Å; I668-L734 HydrophobicContact CD1-CD1 3.44Å; I668-L734 VanDerWaalsContact CD1-CD1 3.44Å; I668-L734 HydrophobicContact CD1-CD2 3.73Å; I668-L734 HydrophobicContact CD1-CG 4.22Å; L696-L734 HydrophobicContact CD1-CD2 3.85Å; V700-L734 HydrophobicContact CG1-CD2 4.03Å; L704-L734 HydrophobicContact CD1-CD1 3.79Å; L704-L734 HydrophobicContact CD1-CD2 3.89Å; L704-L734 HydrophobicContact CD1-CG 3.89Å; A730-L734 WeakPolarHBondContact O-CD1 3.15Å; A730-L734 VanDerWaalsContact O-CG 3.26Å; A730-L734 WeakPolarHBondContact O-CG 3.1Å; A730-L734 PolarHBondContact O-N 2.87Å; V731-L734 PolarHBondContact O-N 3.48Å; I732-L734 PolarHBondContact O-N 2.82Å |
| 735 | Q | 83 | Confident | 67.1 | Low | 32 Ų | 32 | 79.5 Ų | 79.5 | 15% | 0.15 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -72.8 | -36.2 | 176.1 | -70.1 | -174.8 | -67.2 | 0 | 0 | 112.9 | C540 N543 V731 I732 T733 | C540-Q735 WeakPolarHBondContact O-CG 3.35Å; C540-Q735 PolarHBondContact O-NE2 2.71Å; N543-Q735 PolarHBondContact OD1-NE2 3.04Å; V731-Q735 HydrophobicContact CG1-CG 4.44Å; V731-Q735 VanDerWaalsContact O-CG 3.29Å; V731-Q735 WeakPolarHBondContact O-CG 3.26Å; V731-Q735 PolarHBondContact O-N 2.97Å; I732-Q735 PolarHBondContact O-N 3.15Å; T733-Q735 VanDerWaalsContact C-N 3.31Å; T733-Q735 PolarHBondContact O-N 2.69Å |
| 736 | T | 79.9 | Confident | 64.3 | Low | 101 Ų | 101 | 83.1 Ų | 83.1 | 62% | 0.62 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -98.9 | -9.2 | -171 | 56.4 | 0 | 0 | 0 | 0 | 115.1 | I732 T733 | I732-T736 HydrophobicContact CG2-CG2 4.27Å; I732-T736 WeakPolarHBondContact O-CB 3.26Å; I732-T736 WeakPolarHBondContact O-CG2 3.36Å; I732-T736 PolarHBondContact O-N 3.2Å; I732-T736 PolarHBondContact O-OG1 2.83Å; T733-T736 PolarHBondContact O-N 3.13Å |
| 737 | Y | 79.7 | Confident | 61.4 | Low | 60 Ų | 60 | 90.8 Ų | 90.8 | 24% | 0.235 | 48% | 0.477 | C | S | . | . | trans | -53.3 | 127.7 | -178.1 | -161.9 | -88.9 | 0 | 0 | 0 | 112.1 | R541 M662 V700 E703 T733 | R541-Y737 PolarHBondContact NH2-O 3.38Å; M662-Y737 HydrophobicContact CE-CG 4.22Å; M662-Y737 HydrophobicContact CG-CD1 4.37Å; V700-Y737 HydrophobicContact CG2-CD1 3.96Å; V700-Y737 HydrophobicContact CG2-CD2 4.21Å; V700-Y737 HydrophobicContact CG2-CE1 3.66Å; V700-Y737 HydrophobicContact CG2-CE2 3.93Å; V700-Y737 HydrophobicContact CG2-CG 4.22Å; E703-Y737 HydrophobicContact CB-CE2 4.45Å; T733-Y737 WeakPolarHBondContact O-CB 3.39Å; T733-Y737 PolarHBondContact O-N 2.98Å | ||
| 738 | P | 65.5 | Low | 58.8 | Low | 99 Ų | 99 | 95 Ų | 95 | 64% | 0.643 | 51% | 0.508 | S | S | * | . | trans | -74.4 | 129.3 | -176 | 29.2 | -34.1 | 0 | 0 | 0 | 111.6 | L740 | P738-L740 PolarHBondContact O-N 2.79Š| ||
| 739 | T | 54.8 | Low | 56.3 | Low | 73 Ų | 73 | 98.3 Ų | 98.3 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | trans | -77.4 | 114.7 | 168.6 | 17.2 | 0 | 0 | 0 | 0 | 109.8 | R541 M662 N741 | R541-T739 PolarHBondContact NH2-OG1 2.82Å; R541-T739 VanDerWaalsContact NH2-OG1 3.17Å; M662-T739 HydrophobicContact CB-CG2 4.03Å; T739-N741 VanDerWaalsContact C-N 3.28Å; T739-N741 PolarHBondContact O-N 2.84Å | ||
| 740 | L | 32.9 | Very low | 53.5 | Low | 163 Ų | 163 | 104.8 Ų | 104.8 | 85% | 0.853 | 55% | 0.55 | S | S | * | * | trans | -75.7 | 73.3 | -178 | -168.4 | 76.2 | 0 | 0 | 0 | 111.9 | P738 | P738-L740 PolarHBondContact O-N 2.79Š| ||
| 741 | N | 28.5 | Very low | 50.7 | Low | 107 Ų | 107 | 112.8 Ų | 112.8 | 57% | 0.572 | 59% | 0.592 | S | S | * | * | trans | -149.9 | 81.6 | 174.4 | -112.9 | -23.5 | 0 | 0 | 0 | 110.2 | E661 T739 | E661-N741 PolarHBondContact OE1-ND2 2.97Å; T739-N741 VanDerWaalsContact C-N 3.28Å; T739-N741 PolarHBondContact O-N 2.84Å | ||
| 742 | N | 29.1 | Very low | 47.7 | Very low | 163 Ų | 163 | 119.6 Ų | 119.6 | 87% | 0.872 | 63% | 0.628 | S | S | * | * | trans | 173.4 | 60.2 | 160.7 | -91.4 | -23.3 | 0 | 0 | 0 | 111.8 | ||||
| 743 | Q | 31.4 | Very low | 45.2 | Very low | 186 Ų | 186 | 123.8 Ų | 123.8 | 87% | 0.869 | 65% | 0.651 | S | S | * | * | trans | -133.9 | 35.7 | 171.7 | -75 | -160.7 | -5.6 | 0 | 0 | 113.5 | ||||
| 744 | I | 31.7 | Very low | 42.3 | Very low | 158 Ų | 158 | 128.6 Ų | 128.6 | 81% | 0.81 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -131 | 155.4 | 164.8 | -52.2 | -179.5 | 0 | 0 | 0 | 106.7 | ||
| 745 | E | 29.8 | Very low | 39.6 | Very low | 191 Ų | 191 | 135.5 Ų | 135.5 | 89% | 0.893 | 72% | 0.718 | S | S | * | * | trans | 67.4 | 62.2 | -178.9 | -52.6 | -159.5 | 155.1 | 0 | 0 | 116.9 | ||||
| 746 | S | 27.8 | Very low | 37 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | trans | -130.3 | 78.7 | 154 | 50 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 747 | N | 28.6 | Very low | 34.4 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 86% | 0.861 | 75% | 0.748 | S | S | * | * | trans | -146.2 | 121.8 | 173.5 | -120.6 | -33.6 | 0 | 0 | 0 | 114.5 | ||||
| 748 | S | 31.4 | Very low | 31.9 | Very low | 94 Ų | 94 | 143.6 Ų | 143.6 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | trans | 78.1 | 142.1 | 169.6 | 88.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 749 | K | 33 | Very low | 30.2 | Very low | 194 Ų | 194 | 144.9 Ų | 144.9 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | 61.7 | 94.7 | 160.5 | -58.6 | 164.7 | -170 | 171.7 | 0 | 115.6 | ||||
| 750 | K | 28.6 | Very low | 28.9 | Very low | 200 Ų | 200 | 148.2 Ų | 148.2 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | cis | 65.8 | 90.4 | 37.6 | -164.9 | -168.8 | -179.3 | -178 | 0 | 114.4 | ||||
| 751 | L | 27.7 | Very low | 28.8 | Very low | 168 Ų | 168 | 151.7 Ų | 151.7 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | trans | -156.6 | 140.9 | 150.9 | -114.1 | 163 | 0 | 0 | 0 | 110.2 | ||||
| 752 | N | 24.9 | Very low | 28.7 | Very low | 144 Ų | 144 | 153.6 Ų | 153.6 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | -100.6 | 157.9 | 178.3 | -55 | -25.4 | 0 | 0 | 0 | 109.6 | ||||
| 753 | L | 29.7 | Very low | 28.7 | Very low | 165 Ų | 165 | 151.7 Ų | 151.7 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -163.9 | 114.6 | 135 | -110.2 | 157.1 | 0 | 0 | 0 | 111.7 | ||||
| 754 | T | 25.1 | Very low | 28.5 | Very low | 125 Ų | 125 | 150 Ų | 150 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | trans | -88.6 | 139 | 167.6 | 46.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 755 | N | 29.3 | Very low | 28.2 | Very low | 146 Ų | 146 | 149.7 Ų | 149.7 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | -166.3 | 150.5 | 152.7 | -107.7 | -20.2 | 0 | 0 | 0 | 113.8 | ||||
| 756 | L | 27.9 | Very low | 28.1 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | 65.6 | 88.4 | 165.9 | -84 | 69.2 | 0 | 0 | 0 | 119.7 | ||||
| 757 | S | 25.8 | Very low | 28 | Very low | 94 Ų | 94 | 146.8 Ų | 146.8 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | -16.2 | 153.9 | 116.2 | 51.5 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 758 | T | 26.7 | Very low | 27.9 | Very low | 125 Ų | 125 | 148 Ų | 148 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | cis | -173.5 | 148.2 | 9.4 | 13.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 759 | T | 30.4 | Very low | 27.7 | Very low | 125 Ų | 125 | 151.1 Ų | 151.1 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | trans | -178.1 | 121.6 | 130.9 | 37.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 760 | N | 27.5 | Very low | 27.5 | Very low | 143 Ų | 143 | 150.4 Ų | 150.4 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | 46.7 | 89.3 | 137.9 | -51 | -2.6 | 0 | 0 | 0 | 120.3 | ||||
| 761 | Y | 29.4 | Very low | 27.5 | Very low | 236 Ų | 236 | 149 Ų | 149 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | -170.9 | 127.7 | 99.1 | -112.3 | -83.3 | 0 | 0 | 0 | 108.2 | |||||
| 762 | D | 26.3 | Very low | 27.4 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -151.7 | 173.5 | -155.9 | -153.1 | -16.4 | 0 | 0 | 0 | 112.5 | ||||
| 763 | M | 30.2 | Very low | 27.6 | Very low | 123 Ų | 123 | 151.4 Ų | 151.4 | 61% | 0.606 | 78% | 0.78 | S | S | * | * | trans | 74.7 | 117.7 | 173.6 | -154.6 | 168.8 | 65.6 | 0 | 0 | 114.5 | ||||
| 764 | F | 26.1 | Very low | 27.5 | Very low | 150 Ų | 150 | 148.8 Ų | 148.8 | 66% | 0.658 | 77% | 0.773 | S | S | * | * | cis | -115.8 | 131.2 | 15.9 | -77.9 | -102.6 | 0 | 0 | 0 | 113.5 | I766 | F764-I766 HydrophobicContact CD1-CD1 3.92Å; F764-I766 HydrophobicContact CD1-CG1 4.39Å; F764-I766 HydrophobicContact CE1-CD1 4.43Å | ||
| 765 | N | 25.1 | Very low | 27.7 | Very low | 152 Ų | 152 | 151.1 Ų | 151.1 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -140.4 | 96.1 | 166.1 | -163.3 | 1.9 | 0 | 0 | 0 | 109.4 | ||||
| 766 | I | 29.2 | Very low | 27.6 | Very low | 129 Ų | 129 | 150.6 Ų | 150.6 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | trans | -106.1 | 99.4 | -171.6 | -62.1 | -176 | 0 | 0 | 0 | 111.1 | F764 | F764-I766 HydrophobicContact CD1-CD1 3.92Å; F764-I766 HydrophobicContact CD1-CG1 4.39Å; F764-I766 HydrophobicContact CE1-CD1 4.43Å | ||
| 767 | N | 24.9 | Very low | 27.6 | Very low | 116 Ų | 116 | 150.4 Ų | 150.4 | 62% | 0.62 | 77% | 0.774 | S | S | * | * | trans | 33.8 | 104.9 | 150.7 | -67.1 | -67.7 | 0 | 0 | 0 | 119.1 | ||||
| 768 | M | 26.1 | Very low | 27.7 | Very low | 186 Ų | 186 | 151.5 Ų | 151.5 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | trans | -120.4 | 1.9 | 150 | -85.8 | -68.3 | 173.8 | 0 | 0 | 114.5 | K770 | M768-K770 PolarHBondContact O-N 3.04Š| ||
| 769 | D | 27.9 | Very low | 27.6 | Very low | 161 Ų | 161 | 152.5 Ų | 152.5 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -80.6 | 30.4 | 178 | -77.8 | -49.9 | 0 | 0 | 0 | 114.9 | ||||
| 770 | K | 29.7 | Very low | 27.4 | Very low | 179 Ų | 179 | 151 Ų | 151 | 78% | 0.778 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -132.1 | 38.4 | -177.6 | -85.5 | -168.8 | 176.9 | 177.3 | 0 | 115.3 | M768 | M768-K770 PolarHBondContact O-N 3.04Š|
| 771 | L | 27.3 | Very low | 27.3 | Very low | 169 Ų | 169 | 149.7 Ų | 149.7 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -145.8 | 35.4 | 163.3 | -118.9 | 158 | 0 | 0 | 0 | 114.7 | ||
| 772 | N | 25.4 | Very low | 27.4 | Very low | 163 Ų | 163 | 147.4 Ų | 147.4 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -116.1 | 91.1 | 171.9 | -110.1 | -29.3 | 0 | 0 | 0 | 111.4 | ||||
| 773 | K | 28.8 | Very low | 27.5 | Very low | 200 Ų | 200 | 150.2 Ų | 150.2 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | trans | -161.2 | 134 | 154.1 | -112.7 | 162.9 | -173.1 | 171.9 | 0 | 110 | ||||
| 774 | P | 27.7 | Very low | 27.7 | Very low | 110 Ų | 110 | 152.6 Ų | 152.6 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | trans | -84.5 | 152.9 | -168.4 | 33.9 | -36.1 | 0 | 0 | 0 | 112.6 | ||||
| 775 | I | 29.4 | Very low | 28 | Very low | 175 Ų | 175 | 151.1 Ų | 151.1 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -109.1 | 122.3 | 154.3 | -64.1 | 178.9 | 0 | 0 | 0 | 106.4 | ||||
| 776 | I | 27.9 | Very low | 28.2 | Very low | 135 Ų | 135 | 148.5 Ų | 148.5 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | trans | -91.1 | 129.6 | 178.4 | -61.6 | 162.2 | 0 | 0 | 0 | 106.7 | ||||
| 777 | D | 28 | Very low | 28.5 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | 173.1 | 147.5 | 130 | -93.2 | -38 | 0 | 0 | 0 | 114.7 | ||||
| 778 | T | 28.1 | Very low | 29.2 | Very low | 117 Ų | 117 | 150.7 Ų | 150.7 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | trans | 54.4 | 65.5 | 156.7 | 52 | 0 | 0 | 0 | 0 | 120.3 | A780 | T778-A780 PolarHBondContact O-N 2.71Å; T778-A780 VanDerWaalsContact O-N 3.16Å | ||
| 779 | T | 25 | Very low | 29.7 | Very low | 146 Ų | 146 | 146 Ų | 146 | 90% | 0.896 | 77% | 0.765 | S | S | * | * | 29.3 | 73.1 | 121.6 | 60.2 | 0 | 0 | 0 | 0 | 120 | |||||
| 780 | A | 25.7 | Very low | 30.3 | Very low | 94 Ų | 94 | 141.7 Ų | 141.7 | 78% | 0.777 | 74% | 0.741 | S | S | * | * | trans | -160.6 | 147.5 | 148.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T778 | T778-A780 PolarHBondContact O-N 2.71Å; T778-A780 VanDerWaalsContact O-N 3.16Å | ||
| 781 | S | 26.2 | Very low | 30.9 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 81% | 0.811 | 73% | 0.732 | S | S | * | * | trans | 55.6 | 87.1 | 168.5 | -178.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 782 | M | 30.5 | Very low | 31.7 | Very low | 187 Ų | 187 | 133 Ų | 133 | 92% | 0.921 | 72% | 0.716 | S | S | * | * | trans | -125.8 | 74.6 | 153.9 | -99.9 | -166.4 | 161.9 | 0 | 0 | 111.9 | ||||
| 783 | K | 28.8 | Very low | 32.6 | Very low | 207 Ų | 207 | 126.6 Ų | 126.6 | 90% | 0.9 | 68% | 0.684 | S | S | * | * | trans | -92.3 | 99.3 | 156.8 | -79.8 | -173.7 | 175.1 | -177.9 | 0 | 108.5 | ||||
| 784 | Q | 33.9 | Very low | 33.8 | Very low | 174 Ų | 174 | 118.9 Ų | 118.9 | 81% | 0.813 | 65% | 0.65 | S | S | * | * | trans | -146.6 | 106.7 | 170.5 | -154.9 | 160.8 | 15.5 | 0 | 0 | 112 | C786 | Q784-C786 PolarHBondContact O-N 2.74Š| ||
| 785 | K | 32.4 | Very low | 34.8 | Very low | 119 Ų | 119 | 118.3 Ų | 118.3 | 52% | 0.517 | 65% | 0.647 | S | S | . | * | trans | -60.9 | 126.6 | 177.5 | -73.7 | 179.2 | 172.9 | 174.1 | 0 | 110.5 | E714 H787 | E714-K785 IonicContact OE1-NZ 3.92Å; E714-K785 IonicContact OE2-NZ 2.82Å; E714-K785 PolarHBondContact OE2-NZ 2.94Å; K785-H787 PolarHBondContact O-CD2 2.99Å; K785-H787 PolarHBondContact O-N 2.7Å | ||
| 786 | C | 29.5 | Very low | 35.9 | Very low | 96 Ų | 96 | 120.4 Ų | 120.4 | 65% | 0.649 | 64% | 0.643 | S | S | * | * | trans | -82.5 | 81.1 | 176.3 | -160.3 | 0 | 0 | 0 | 0 | 111.2 | Q784 Y788 | Q784-C786 PolarHBondContact O-N 2.74Å; C786-Y788 HydrophobicContact CB-CE2 4.26Å; C786-Y788 PolarHBondContact O-N 3.36Å; C786-Y788 WeakPolarHBondContact SG-CE2 3.39Å | ||
| 787 | H | 35.1 | Very low | 37 | Very low | 90 Ų | 90 | 115.3 Ų | 115.3 | 42% | 0.417 | 62% | 0.618 | S | S | . | * | trans | -74.5 | 81.9 | 177.6 | -71.1 | -94.3 | 0 | 0 | 0 | 111.9 | K785 T789 I790 | K785-H787 PolarHBondContact O-CD2 2.99Å; K785-H787 PolarHBondContact O-N 2.7Å; H787-T789 PolarHBondContact O-N 3.17Å; H787-I790 HydrophobicContact CB-CD1 3.58Å; H787-I790 HydrophobicContact CB-CG1 3.85Å; H787-I790 PolarHBondContact O-N 3.31Å; H787-I790 VanDerWaalsContact O-N 3.11Å | ||
| 788 | Y | 39.8 | Very low | 38.5 | Very low | 202 Ų | 202 | 110.5 Ų | 110.5 | 79% | 0.792 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -57 | -15.5 | 174.3 | -80.5 | -78.6 | 0 | 0 | 0 | 114.4 | C786 I790 | C786-Y788 HydrophobicContact CB-CE2 4.26Å; C786-Y788 PolarHBondContact O-N 3.36Å; C786-Y788 WeakPolarHBondContact SG-CE2 3.39Å; Y788-I790 VanDerWaalsContact C-N 3.32Å; Y788-I790 PolarHBondContact O-N 3.42Å |
| 789 | T | 37.1 | Very low | 40.2 | Very low | 87 Ų | 87 | 106 Ų | 106 | 53% | 0.534 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -72.4 | -15.8 | 175.5 | 51.3 | 0 | 0 | 0 | 0 | 114.8 | H787 G791 Q856 | H787-T789 PolarHBondContact O-N 3.17Å; T789-G791 VanDerWaalsContact C-N 3.31Å; T789-G791 PolarHBondContact O-N 3Å; T789-Q856 PolarHBondContact O-NE2 2.88Å |
| 790 | I | 40 | Very low | 42.2 | Very low | 70 Ų | 70 | 103.6 Ų | 103.6 | 36% | 0.359 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -76.2 | -18.8 | -175.9 | -64.5 | 177.3 | 0 | 0 | 0 | 112.5 | H787 Y788 T854 | H787-I790 HydrophobicContact CB-CD1 3.58Å; H787-I790 HydrophobicContact CB-CG1 3.85Å; H787-I790 PolarHBondContact O-N 3.31Å; H787-I790 VanDerWaalsContact O-N 3.11Å; Y788-I790 VanDerWaalsContact C-N 3.32Å; Y788-I790 PolarHBondContact O-N 3.42Å; I790-T854 PolarHBondContact O-OG1 2.93Å |
| 791 | G | 41.8 | Very low | 44.1 | Very low | 58 Ų | 58 | 104.7 Ų | 104.7 | 60% | 0.598 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -83.5 | -6.9 | -178 | 0 | 0 | 0 | 0 | 0 | 116.1 | T789 P793 | T789-G791 VanDerWaalsContact C-N 3.31Å; T789-G791 PolarHBondContact O-N 3Å; G791-P793 VanDerWaalsContact O-CD 3.31Å; G791-P793 WeakPolarHBondContact O-CD 3.44Å |
| 792 | I | 45.5 | Very low | 46.1 | Very low | 107 Ų | 107 | 105.7 Ų | 105.7 | 55% | 0.549 | 54% | 0.536 | S | S | . | . | trans | -85.1 | 114.7 | -172.7 | -53.5 | 175.6 | 0 | 0 | 0 | 110 | ||||
| 793 | P | 44 | Very low | 47.8 | Very low | 29 Ų | 29 | 99 Ų | 99 | 19% | 0.188 | 51% | 0.506 | C | S | . | . | trans | -79.2 | 161 | 175 | 35.6 | -36.5 | 0 | 0 | 0 | 111.5 | G791 S798 L813 T854 | G791-P793 VanDerWaalsContact O-CD 3.31Å; G791-P793 WeakPolarHBondContact O-CD 3.44Å; P793-S798 WeakPolarHBondContact CG-OG 3.37Å; P793-L813 HydrophobicContact CB-CD1 4.16Å; P793-L813 HydrophobicContact CG-CD1 4.37Å; P793-T854 HydrophobicContact CB-CG2 4.21Å | ||
| 794 | F | 52.8 | Low | 49.2 | Very low | 39 Ų | 39 | 95.3 Ų | 95.3 | 17% | 0.171 | 50% | 0.501 | C | S | . | . | trans | -52.5 | 129.5 | 178.3 | -177.2 | -114.9 | 0 | 0 | 0 | 111.8 | R796 T797 P855 F858 | F794-R796 HydrophobicContact CD1-CB 4.09Å; F794-R796 HydrophobicContact CE1-CB 3.88Å; F794-R796 HydrophobicContact CE1-CG 4.01Å; F794-R796 PolarHBondContact O-N 2.79Å; F794-T797 HydrophobicContact CB-CG2 4.39Å; F794-T797 HydrophobicContact CD1-CG2 4.35Å; F794-T797 WeakPolarHBondContact O-CB 3.28Å; F794-T797 PolarHBondContact O-N 3.25Å; F794-T797 PolarHBondContact O-OG1 2.91Å; F794-P855 PolarHBondContact N-O 3.28Å; F794-F858 HydrophobicContact CE1-CB 4.23Å; F794-F858 HydrophobicContact CE1-CD2 4.1Å; F794-F858 HydrophobicContact CE2-CB 4.09Å; F794-F858 HydrophobicContact CZ-CB 3.75Å; F794-F858 HydrophobicContact CZ-CD2 4.4Å | ||
| 795 | P | 49.2 | Very low | 50.5 | Low | 98 Ų | 98 | 89.5 Ų | 89.5 | 64% | 0.636 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -10 | -166.3 | -30 | 36.3 | 0 | 0 | 0 | 118.1 | ||
| 796 | R | 52.7 | Low | 52 | Low | 219 Ų | 219 | 83.9 Ų | 83.9 | 83% | 0.826 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 6.4 | 173.1 | -62.5 | -171.7 | 177.2 | -174.4 | -2.1 | 114 | F794 | F794-R796 HydrophobicContact CD1-CB 4.09Å; F794-R796 HydrophobicContact CE1-CB 3.88Å; F794-R796 HydrophobicContact CE1-CG 4.01Å; F794-R796 PolarHBondContact O-N 2.79Å |
| 797 | T | 50.6 | Low | 53.9 | Low | 28 Ų | 28 | 82.1 Ų | 82.1 | 17% | 0.172 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -115.5 | -17.3 | -174.9 | 63.5 | 0 | 0 | 0 | 0 | 114.5 | F794 G812 L813 | F794-T797 HydrophobicContact CB-CG2 4.39Å; F794-T797 HydrophobicContact CD1-CG2 4.35Å; F794-T797 WeakPolarHBondContact O-CB 3.28Å; F794-T797 PolarHBondContact O-N 3.25Å; F794-T797 PolarHBondContact O-OG1 2.91Å; T797-G812 CarbonylContact O-C 3.52Å; T797-L813 PolarHBondContact O-N 3.5Å |
| 798 | S | 60.4 | Low | 55.8 | Low | 38 Ų | 38 | 78.8 Ų | 78.8 | 27% | 0.266 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -159.2 | 150.2 | 163.3 | 60.8 | 0 | 0 | 0 | 0 | 109.7 | P793 F811 | P793-S798 WeakPolarHBondContact CG-OG 3.37Å; S798-F811 CarbonylContact C-O 3.6Å; S798-F811 WeakPolarHBondContact CA-O 3.39Å; S798-F811 WeakPolarHBondContact CB-O 3.46Å |
| 799 | G | 63.1 | Low | 57.5 | Low | 23 Ų | 23 | 70.9 Ų | 70.9 | 24% | 0.237 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.6 | -179.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | T810 F811 | G799-T810 WeakPolarHBondContact O-CA 3.45Å; G799-F811 VanDerWaalsContact CA-CE2 3.48Å; G799-F811 VanDerWaalsContact CA-CZ 3.49Å; G799-F811 VanDerWaalsContact N-CD2 3.31Å; G799-F811 VanDerWaalsContact N-CE2 3.26Å; G799-F811 PolarHBondContact N-O 2.88Å; G799-F811 WeakPolarHBondContact O-CD1 3.32Å; G799-F811 PolarHBondContact O-N 2.63Å |
| 800 | V | 67.4 | Low | 59 | Low | 95 Ų | 95 | 67.9 Ų | 67.9 | 58% | 0.576 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 137.3 | -174.2 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | I808 V809 T810 | V800-I808 HydrophobicContact CG1-CG2 3.39Å; V800-V809 CarbonylContact C-O 3.08Å; V800-V809 WeakPolarHBondContact CA-O 3.48Å; V800-T810 HydrophobicContact CG1-CG2 4.21Å; V800-T810 HydrophobicContact CG2-CG2 4.02Å |
| 801 | H | 65 | Low | 60.4 | Low | 116 Ų | 116 | 68.6 Ų | 68.6 | 54% | 0.537 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 129.9 | -177.7 | -173.7 | -80.5 | 0 | 0 | 0 | 111.9 | I808 V809 | H801-I808 WeakPolarHBondContact O-CA 3.38Å; H801-V809 PolarHBondContact N-O 2.57Å; H801-V809 PolarHBondContact O-N 2.88Å |
| 802 | F | 69.4 | Low | 61 | Low | 137 Ų | 137 | 67.9 Ų | 67.9 | 60% | 0.601 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 124.7 | 172.4 | -72 | -102.3 | 0 | 0 | 0 | 110.1 | I808 | F802-I808 HydrophobicContact CD1-CD1 4.16Å; F802-I808 HydrophobicContact CD1-CG1 3.66Å; F802-I808 HydrophobicContact CE1-CD1 3.44Å; F802-I808 VanDerWaalsContact CE1-CD1 3.44Å; F802-I808 HydrophobicContact CE1-CG1 3.49Å; F802-I808 VanDerWaalsContact CE1-CG1 3.49Å; F802-I808 HydrophobicContact CE2-CD1 4.36Å; F802-I808 HydrophobicContact CE2-CG1 4.47Å; F802-I808 HydrophobicContact CG-CG1 4.25Å; F802-I808 HydrophobicContact CZ-CD1 3.55Å; F802-I808 HydrophobicContact CZ-CG1 3.93Å |
| 803 | T | 65.5 | Low | 61.3 | Low | 47 Ų | 47 | 66.8 Ų | 66.8 | 29% | 0.288 | 36% | 0.363 | S | S | . | . | trans | -82.4 | 156.8 | 171.4 | 63.9 | 0 | 0 | 0 | 0 | 111.1 | N805 G806 L807 V809 | T803-N805 PolarHBondContact O-N 3.06Å; T803-N805 VanDerWaalsContact O-N 3.13Å; T803-G806 PolarHBondContact O-N 3.33Å; T803-G806 VanDerWaalsContact O-N 3.09Å; T803-L807 HydrophobicContact CG2-CB 4.33Å; T803-L807 PolarHBondContact N-O 3.08Å; T803-L807 WeakPolarHBondContact OG1-CA 3.37Å; T803-L807 VanDerWaalsContact OG1-CB 3.26Å; T803-L807 WeakPolarHBondContact OG1-CB 3.49Å; T803-L807 PolarHBondContact OG1-N 3.47Å; T803-L807 PolarHBondContact OG1-O 3.44Å; T803-V809 HydrophobicContact CG2-CG2 4.12Å | ||
| 804 | T | 58.9 | Low | 61.7 | Low | 129 Ų | 129 | 67.3 Ų | 67.3 | 79% | 0.791 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -29.7 | 175.9 | 43.8 | 0 | 0 | 0 | 0 | 113.8 | G806 | T804-G806 VanDerWaalsContact C-N 3.32Š|
| 805 | N | 59.9 | Low | 61.6 | Low | 53 Ų | 53 | 71.2 Ų | 71.2 | 28% | 0.283 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -6.7 | -174.8 | -64.1 | 39.1 | 0 | 0 | 0 | 112.4 | T803 S1002 S1242 | T803-N805 PolarHBondContact O-N 3.06Å; T803-N805 VanDerWaalsContact O-N 3.13Å; N805-S1002 PolarHBondContact O-OG 3.29Å; N805-S1242 PolarHBondContact ND2-O 2.92Å |
| 806 | G | 64 | Low | 61.8 | Low | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | S | Bend | trans | 102 | 5.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | T803 T804 M1001 S1002 | T803-G806 PolarHBondContact O-N 3.33Å; T803-G806 VanDerWaalsContact O-N 3.09Å; T804-G806 VanDerWaalsContact C-N 3.32Å; G806-M1001 CarbonylContact O-C 3.47Å; G806-M1001 VanDerWaalsContact O-CA 3.31Å; G806-M1001 WeakPolarHBondContact O-CA 3.26Å; G806-M1001 VanDerWaalsContact O-CB 3.27Å; G806-M1001 WeakPolarHBondContact O-CB 3.32Å; G806-M1001 PolarHBondContact O-N 3.45Å; G806-S1002 PolarHBondContact O-N 3.11Å |
| 807 | L | 70 | Confident | 61.9 | Low | 58 Ų | 58 | 60.2 Ų | 60.2 | 30% | 0.304 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 136.7 | 175.3 | -45.9 | 177.4 | 0 | 0 | 0 | 111.3 | T803 I998 Y999 D1000 | T803-L807 HydrophobicContact CG2-CB 4.33Å; T803-L807 PolarHBondContact N-O 3.08Å; T803-L807 WeakPolarHBondContact OG1-CA 3.37Å; T803-L807 VanDerWaalsContact OG1-CB 3.26Å; T803-L807 WeakPolarHBondContact OG1-CB 3.49Å; T803-L807 PolarHBondContact OG1-N 3.47Å; T803-L807 PolarHBondContact OG1-O 3.44Å; L807-I998 HydrophobicContact CB-CG2 4.05Å; L807-I998 HydrophobicContact CD1-CG2 4.19Å; L807-Y999 CarbonylContact C-O 3.58Å; L807-Y999 VanDerWaalsContact CA-O 3.28Å; L807-Y999 WeakPolarHBondContact CA-O 3.4Å; L807-D1000 HydrophobicContact CD2-CB 4.06Å |
| 808 | I | 75.5 | Confident | 62.2 | Low | 21 Ų | 21 | 62 Ų | 62 | 11% | 0.108 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.9 | 166.4 | -61.2 | 179.7 | 0 | 0 | 0 | 109 | V800 H801 F802 T810 I998 Y999 M1001 | V800-I808 HydrophobicContact CG1-CG2 3.39Å; H801-I808 WeakPolarHBondContact O-CA 3.38Å; F802-I808 HydrophobicContact CD1-CD1 4.16Å; F802-I808 HydrophobicContact CD1-CG1 3.66Å; F802-I808 HydrophobicContact CE1-CD1 3.44Å; F802-I808 VanDerWaalsContact CE1-CD1 3.44Å; F802-I808 HydrophobicContact CE1-CG1 3.49Å; F802-I808 VanDerWaalsContact CE1-CG1 3.49Å; F802-I808 HydrophobicContact CE2-CD1 4.36Å; F802-I808 HydrophobicContact CE2-CG1 4.47Å; F802-I808 HydrophobicContact CG-CG1 4.25Å; F802-I808 HydrophobicContact CZ-CD1 3.55Å; F802-I808 HydrophobicContact CZ-CG1 3.93Å; I808-T810 HydrophobicContact CG2-CG2 4.02Å; I808-I998 CarbonylContact O-C 3.52Å; I808-I998 WeakPolarHBondContact O-CA 3.5Å; I808-Y999 PolarHBondContact N-O 3.34Å; I808-Y999 PolarHBondContact O-N 3.43Å; I808-M1001 HydrophobicContact CD1-CE 3.85Å; I808-M1001 HydrophobicContact CD1-CG 3.69Å; I808-M1001 HydrophobicContact CD1-SD 4.45Å; I808-M1001 HydrophobicContact CG1-CG 3.9Å |
| 809 | V | 74.5 | Confident | 61.9 | Low | 35 Ų | 35 | 64 Ų | 64 | 21% | 0.212 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 125.2 | 172.6 | -176.2 | 0 | 0 | 0 | 0 | 109 | V800 H801 T803 I996 Q997 I998 | V800-V809 CarbonylContact C-O 3.08Å; V800-V809 WeakPolarHBondContact CA-O 3.48Å; H801-V809 PolarHBondContact N-O 2.57Å; H801-V809 PolarHBondContact O-N 2.88Å; T803-V809 HydrophobicContact CG2-CG2 4.12Å; V809-I996 HydrophobicContact CG1-CG2 3.55Å; V809-Q997 WeakPolarHBondContact CA-O 3.49Å; V809-I998 HydrophobicContact CG1-CG1 4.49Å; V809-I998 HydrophobicContact CG2-CG1 4.33Å; V809-I998 HydrophobicContact CG2-CG2 4.49Å |
| 810 | T | 68.4 | Low | 61.6 | Low | 24 Ų | 24 | 63.2 Ų | 63.2 | 15% | 0.147 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 146.2 | 175.6 | 77.4 | 0 | 0 | 0 | 0 | 111 | G799 V800 I808 I996 Q997 Y999 | G799-T810 WeakPolarHBondContact O-CA 3.45Å; V800-T810 HydrophobicContact CG1-CG2 4.21Å; V800-T810 HydrophobicContact CG2-CG2 4.02Å; I808-T810 HydrophobicContact CG2-CG2 4.02Å; T810-I996 WeakPolarHBondContact O-CA 3.48Å; T810-I996 WeakPolarHBondContact O-CG2 3.33Å; T810-Q997 PolarHBondContact N-O 2.87Å; T810-Q997 PolarHBondContact O-N 3.25Å; T810-Q997 WeakPolarHBondContact OG1-CB 3.49Å; T810-Q997 PolarHBondContact OG1-OE1 3.06Å; T810-Y999 HydrophobicContact CG2-CD2 4.09Å; T810-Y999 HydrophobicContact CG2-CE2 3.72Å |
| 811 | F | 69.1 | Low | 61.1 | Low | 86 Ų | 86 | 62.2 Ų | 62.2 | 38% | 0.377 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 131.3 | 177.3 | 45.9 | -83.4 | 0 | 0 | 0 | 110.1 | S798 G799 | S798-F811 CarbonylContact C-O 3.6Å; S798-F811 WeakPolarHBondContact CA-O 3.39Å; S798-F811 WeakPolarHBondContact CB-O 3.46Å; G799-F811 VanDerWaalsContact CA-CE2 3.48Å; G799-F811 VanDerWaalsContact CA-CZ 3.49Å; G799-F811 VanDerWaalsContact N-CD2 3.31Å; G799-F811 VanDerWaalsContact N-CE2 3.26Å; G799-F811 PolarHBondContact N-O 2.88Å; G799-F811 WeakPolarHBondContact O-CD1 3.32Å; G799-F811 PolarHBondContact O-N 2.63Å |
| 812 | G | 55.1 | Low | 60.8 | Low | 43 Ų | 43 | 61.3 Ų | 61.3 | 44% | 0.443 | 33% | 0.334 | S | S | . | . | trans | -109.3 | 165.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | T797 | T797-G812 CarbonylContact O-C 3.52Š| ||
| 813 | L | 51.4 | Low | 60.2 | Low | 84 Ų | 84 | 56.1 Ų | 56.1 | 44% | 0.44 | 32% | 0.315 | S | S | . | . | trans | -64.6 | 132 | 169.4 | -81.3 | 158 | 0 | 0 | 0 | 110.2 | P793 T797 L817 | P793-L813 HydrophobicContact CB-CD1 4.16Å; P793-L813 HydrophobicContact CG-CD1 4.37Å; T797-L813 PolarHBondContact O-N 3.5Å; L813-L817 HydrophobicContact CD2-CB 4.49Å; L813-L817 HydrophobicContact CD2-CD1 3.58Å | ||
| 814 | P | 53.5 | Low | 59.6 | Low | 39 Ų | 39 | 55.9 Ų | 55.9 | 25% | 0.253 | 31% | 0.311 | S | S | . | . | trans | -68.9 | 146 | 173.8 | 28.7 | -34.9 | 0 | 0 | 0 | 111.5 | S816 L817 | P814-S816 PolarHBondContact O-N 3.34Å; P814-L817 HydrophobicContact CG-CD1 4.45Å; P814-L817 PolarHBondContact O-N 3.27Å | ||
| 815 | E | 51.1 | Low | 59.4 | Low | 121 Ų | 121 | 55 Ų | 55 | 57% | 0.565 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -59.5 | -21.1 | -176.3 | -66.1 | -172.7 | 101.5 | 0 | 0 | 114 | L817 S818 F819 Y992 | E815-L817 PolarHBondContact O-N 3.18Å; E815-S818 PolarHBondContact O-N 3.34Å; E815-S818 VanDerWaalsContact O-N 3.15Å; E815-S818 PolarHBondContact O-OG 3.02Å; E815-F819 PolarHBondContact O-N 3.22Å; E815-Y992 WeakPolarHBondContact OE2-CD1 3.36Å; E815-Y992 WeakPolarHBondContact OE2-CE1 3.49Å |
| 816 | S | 52.7 | Low | 58.9 | Low | 59 Ų | 59 | 58.5 Ų | 58.5 | 41% | 0.413 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.7 | -32.2 | 171.3 | 58.8 | 0 | 0 | 0 | 0 | 113 | P814 I820 | P814-S816 PolarHBondContact O-N 3.34Å; S816-I820 WeakPolarHBondContact O-CD1 3.44Å; S816-I820 WeakPolarHBondContact O-CG1 3.33Å; S816-I820 PolarHBondContact O-N 3.24Å |
| 817 | L | 54.3 | Low | 58.2 | Low | 28 Ų | 28 | 62.7 Ų | 62.7 | 15% | 0.147 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -78.1 | -29.6 | 177.6 | -83.2 | 168.3 | 0 | 0 | 0 | 113.4 | L813 P814 E815 I820 R821 Y861 F864 | L813-L817 HydrophobicContact CD2-CB 4.49Å; L813-L817 HydrophobicContact CD2-CD1 3.58Å; P814-L817 HydrophobicContact CG-CD1 4.45Å; P814-L817 PolarHBondContact O-N 3.27Å; E815-L817 PolarHBondContact O-N 3.18Å; L817-I820 HydrophobicContact CD2-CD1 4.42Å; L817-R821 WeakPolarHBondContact O-CB 3.43Å; L817-R821 PolarHBondContact O-N 2.72Å; L817-Y861 HydrophobicContact CD1-CE2 4.3Å; L817-Y861 HydrophobicContact CD2-CE2 4.3Å; L817-F864 HydrophobicContact CD2-CE1 4.01Å |
| 818 | S | 57.1 | Low | 57.1 | Low | 64 Ų | 64 | 64.4 Ų | 64.4 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -72.4 | -37 | 172 | 63.2 | 0 | 0 | 0 | 0 | 111 | E815 R821 N822 | E815-S818 PolarHBondContact O-N 3.34Å; E815-S818 VanDerWaalsContact O-N 3.15Å; E815-S818 PolarHBondContact O-OG 3.02Å; S818-R821 PolarHBondContact O-N 3.33Å; S818-N822 PolarHBondContact O-N 3.28Å |
| 819 | F | 54.9 | Low | 55.5 | Low | 82 Ų | 82 | 67.7 Ų | 67.7 | 36% | 0.36 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.7 | -49.4 | 170.6 | -171.5 | -80.4 | 0 | 0 | 0 | 112 | E815 R821 N822 S823 F984 F988 | E815-F819 PolarHBondContact O-N 3.22Å; F819-R821 VanDerWaalsContact C-N 3.32Å; F819-R821 PolarHBondContact O-N 2.59Å; F819-N822 PolarHBondContact O-N 3.23Å; F819-N822 VanDerWaalsContact O-N 3.1Å; F819-S823 PolarHBondContact O-N 3.47Å; F819-F984 HydrophobicContact CZ-CE1 4.33Å; F819-F988 HydrophobicContact CD1-CE2 4.41Å; F819-F988 AromaticContact CD1-CZ 3.67Å; F819-F988 HydrophobicContact CD1-CZ 3.67Å; F819-F988 AromaticContact CE1-CE2 3.81Å; F819-F988 HydrophobicContact CE1-CE2 3.81Å; F819-F988 AromaticContact CE1-CZ 3.5Å; F819-F988 HydrophobicContact CE1-CZ 3.5Å; F819-F988 VanDerWaalsContact CE1-CZ 3.5Å; F819-F988 HydrophobicContact CG-CZ 4.47Å; F819-F988 HydrophobicContact CZ-CE2 4.09Å; F819-F988 HydrophobicContact CZ-CZ 4.16Å |
| 820 | I | 56 | Low | 53.6 | Low | 6 Ų | 6 | 72.5 Ų | 72.5 | 3% | 0.031 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.2 | -44.7 | 177.4 | -69.3 | 163.8 | 0 | 0 | 0 | 110.7 | S816 L817 N822 S823 L824 F864 F868 M879 | S816-I820 WeakPolarHBondContact O-CD1 3.44Å; S816-I820 WeakPolarHBondContact O-CG1 3.33Å; S816-I820 PolarHBondContact O-N 3.24Å; L817-I820 HydrophobicContact CD2-CD1 4.42Å; I820-N822 VanDerWaalsContact C-N 3.27Å; I820-N822 PolarHBondContact O-N 3.42Å; I820-S823 PolarHBondContact O-N 2.8Å; I820-S823 PolarHBondContact O-OG 2.92Å; I820-L824 HydrophobicContact CG2-CD1 4.25Å; I820-L824 PolarHBondContact O-N 2.55Å; I820-F864 HydrophobicContact CG2-CE1 3.61Å; I820-F864 HydrophobicContact CG2-CZ 3.63Å; I820-F868 HydrophobicContact CB-CE2 4.46Å; I820-F868 HydrophobicContact CD1-CE1 4.44Å; I820-F868 HydrophobicContact CG1-CE1 4.22Å; I820-F868 HydrophobicContact CG1-CE2 4.14Å; I820-F868 HydrophobicContact CG1-CZ 3.94Å; I820-F868 HydrophobicContact CG2-CD2 3.69Å; I820-F868 HydrophobicContact CG2-CE2 3.97Å; I820-F868 HydrophobicContact CG2-CG 4.02Å; I820-M879 HydrophobicContact CD1-CE 4Å; I820-M879 HydrophobicContact CD1-SD 4.23Å |
| 821 | R | 56.2 | Low | 52.2 | Low | 74 Ų | 74 | 77 Ų | 77 | 28% | 0.279 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.5 | -36 | 176.3 | -169.9 | 178.4 | -172.2 | 130.8 | 4.7 | 112.8 | L817 S818 F819 D852 T854 | L817-R821 WeakPolarHBondContact O-CB 3.43Å; L817-R821 PolarHBondContact O-N 2.72Å; S818-R821 PolarHBondContact O-N 3.33Å; F819-R821 VanDerWaalsContact C-N 3.32Å; F819-R821 PolarHBondContact O-N 2.59Å; R821-D852 IonicContact CZ-OD1 3.93Å; R821-D852 VanDerWaalsContact CZ-OD1 3.29Å; R821-D852 IonicContact NE-OD1 3.32Å; R821-D852 PolarHBondContact NE-OD1 3.27Å; R821-D852 PolarHBondContact NH2-O 2.9Å; R821-D852 IonicContact NH2-OD1 2.69Å; R821-D852 PolarHBondContact NH2-OD1 2.98Å; R821-T854 PolarHBondContact NH1-OG1 3.18Å; R821-T854 PolarHBondContact NH2-OG1 3.38Å |
| 822 | N | 58.7 | Low | 50.6 | Low | 96 Ų | 96 | 80.2 Ų | 80.2 | 51% | 0.513 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -75.7 | -41.4 | 176.9 | -71.4 | -16.5 | 0 | 0 | 0 | 112.5 | S818 F819 I820 L824 K825 | S818-N822 PolarHBondContact O-N 3.28Å; F819-N822 PolarHBondContact O-N 3.23Å; F819-N822 VanDerWaalsContact O-N 3.1Å; I820-N822 VanDerWaalsContact C-N 3.27Å; I820-N822 PolarHBondContact O-N 3.42Å; N822-L824 VanDerWaalsContact C-N 3.34Å; N822-L824 PolarHBondContact O-N 3.35Å; N822-K825 WeakPolarHBondContact O-CB 3.45Å; N822-K825 PolarHBondContact O-N 2.92Å; N822-K825 VanDerWaalsContact O-N 3.08Å |
| 823 | S | 57 | Low | 49.5 | Very low | 28 Ų | 28 | 84.2 Ų | 84.2 | 20% | 0.196 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 179.5 | 67.2 | 0 | 0 | 0 | 0 | 112.9 | F819 I820 K825 L826 T827 F868 | F819-S823 PolarHBondContact O-N 3.47Å; I820-S823 PolarHBondContact O-N 2.8Å; I820-S823 PolarHBondContact O-OG 2.92Å; S823-K825 VanDerWaalsContact C-N 3.27Å; S823-K825 PolarHBondContact O-N 3.13Å; S823-L826 PolarHBondContact O-N 3.05Å; S823-L826 VanDerWaalsContact O-N 3.16Å; S823-T827 PolarHBondContact O-N 3.13Å; S823-F868 WeakPolarHBondContact OG-CE2 3.49Å |
| 824 | L | 54.2 | Low | 48.5 | Very low | 42 Ų | 42 | 88.1 Ų | 88.1 | 22% | 0.22 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -68.9 | -20.7 | 177.1 | -74.3 | 166.7 | 0 | 0 | 0 | 113.8 | I820 N822 L826 T827 F864 F868 | I820-L824 HydrophobicContact CG2-CD1 4.25Å; I820-L824 PolarHBondContact O-N 2.55Å; N822-L824 VanDerWaalsContact C-N 3.34Å; N822-L824 PolarHBondContact O-N 3.35Å; L824-L826 VanDerWaalsContact C-N 3.33Å; L824-T827 PolarHBondContact O-OG1 3.03Å; L824-F864 HydrophobicContact CD1-CD2 4.3Å; L824-F864 HydrophobicContact CD1-CE2 3.66Å; L824-F864 HydrophobicContact CD1-CZ 4.06Å; L824-F868 HydrophobicContact CD1-CD2 4.4Å; L824-F868 HydrophobicContact CG-CD2 4.32Å |
| 825 | K | 54.4 | Low | 47.6 | Very low | 110 Ų | 110 | 92.3 Ų | 92.3 | 48% | 0.478 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -77.6 | -16 | 173.6 | -76 | -177 | 175.7 | -175.1 | 0 | 113.4 | N822 S823 S828 D852 | N822-K825 WeakPolarHBondContact O-CB 3.45Å; N822-K825 PolarHBondContact O-N 2.92Å; N822-K825 VanDerWaalsContact O-N 3.08Å; S823-K825 VanDerWaalsContact C-N 3.27Å; S823-K825 PolarHBondContact O-N 3.13Å; K825-S828 PolarHBondContact O-OG 2.68Å; K825-D852 VanDerWaalsContact CE-OD1 3.29Å; K825-D852 WeakPolarHBondContact CE-OD1 3.3Å; K825-D852 IonicContact NZ-OD1 4Å; K825-D852 PolarHBondContact NZ-OD1 3.31Å; K825-D852 IonicContact NZ-OD2 2.6Å; K825-D852 PolarHBondContact NZ-OD2 3.03Å |
| 826 | L | 49.6 | Very low | 46.7 | Very low | 127 Ų | 127 | 95.6 Ų | 95.6 | 67% | 0.665 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -87.4 | -44.4 | 176.7 | -68.8 | 162.4 | 0 | 0 | 0 | 111.3 | S823 L824 S828 S829 | S823-L826 PolarHBondContact O-N 3.05Å; S823-L826 VanDerWaalsContact O-N 3.16Å; L824-L826 VanDerWaalsContact C-N 3.33Å; L826-S828 PolarHBondContact O-N 3.3Å; L826-S829 PolarHBondContact O-N 2.85Å; L826-S829 PolarHBondContact O-OG 2.84Å |
| 827 | T | 48.9 | Very low | 45.7 | Very low | 89 Ų | 89 | 100.9 Ų | 100.9 | 55% | 0.546 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.9 | -7.8 | -175.7 | 51 | 0 | 0 | 0 | 0 | 115.6 | S823 L824 | S823-T827 PolarHBondContact O-N 3.13Å; L824-T827 PolarHBondContact O-OG1 3.03Å |
| 828 | S | 46.1 | Very low | 44.6 | Very low | 94 Ų | 94 | 105 Ų | 105 | 66% | 0.657 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 6.5 | 179.1 | 53.8 | 0 | 0 | 0 | 0 | 114.2 | K825 L826 | K825-S828 PolarHBondContact O-OG 2.68Å; L826-S828 PolarHBondContact O-N 3.3Å |
| 829 | S | 42.1 | Very low | 43.3 | Very low | 90 Ų | 90 | 109.7 Ų | 109.7 | 63% | 0.629 | 60% | 0.6 | S | S | * | * | trans | -96.1 | -14.7 | -176.9 | 58.3 | 0 | 0 | 0 | 0 | 115.2 | L826 | L826-S829 PolarHBondContact O-N 2.85Å; L826-S829 PolarHBondContact O-OG 2.84Å | ||
| 830 | D | 35.5 | Very low | 42.2 | Very low | 137 Ų | 137 | 112.1 Ų | 112.1 | 73% | 0.733 | 62% | 0.622 | S | S | * | * | trans | -82.3 | 128.9 | -179.7 | -77.2 | -52.4 | 0 | 0 | 0 | 113.3 | N832 | D830-N832 PolarHBondContact O-N 2.9Š| ||
| 831 | V | 37.6 | Very low | 41 | Very low | 119 Ų | 119 | 117.7 Ų | 117.7 | 72% | 0.721 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -78.4 | -18.5 | -163.7 | 178 | 0 | 0 | 0 | 0 | 114.3 | C833 | V831-C833 PolarHBondContact O-N 2.9Š|
| 832 | N | 35.9 | Very low | 39.8 | Very low | 153 Ų | 153 | 120.1 Ų | 120.1 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -89.8 | 6.1 | -159.8 | -70.2 | -16.3 | 0 | 0 | 0 | 117 | D830 | D830-N832 PolarHBondContact O-N 2.9Š|
| 833 | C | 32 | Very low | 38.5 | Very low | 127 Ų | 127 | 123 Ų | 123 | 86% | 0.858 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -110.4 | 21.1 | -170.4 | -86.4 | 0 | 0 | 0 | 0 | 116.4 | V831 | V831-C833 PolarHBondContact O-N 2.9Š|
| 834 | Q | 31.2 | Very low | 37.2 | Very low | 166 Ų | 166 | 128.8 Ų | 128.8 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | trans | -97.9 | 10.6 | -171.1 | -63.7 | -166.4 | -3.1 | 0 | 0 | 116.8 | ||||
| 835 | V | 34.4 | Very low | 36.1 | Very low | 126 Ų | 126 | 134 Ų | 134 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -26.2 | -159 | -179.7 | 0 | 0 | 0 | 0 | 116.2 | ||
| 836 | E | 31.4 | Very low | 35 | Very low | 191 Ų | 191 | 134.5 Ų | 134.5 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 4 | -164.9 | -66.8 | -166.8 | 132.9 | 0 | 0 | 117.2 | ||
| 837 | L | 32.5 | Very low | 34.3 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | trans | -126.1 | 43 | -170.3 | -84.8 | 158.9 | 0 | 0 | 0 | 114.9 | ||||
| 838 | T | 30.1 | Very low | 33.8 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -128.1 | 58 | 179.2 | 50.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 839 | N | 30.2 | Very low | 33.4 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -152.5 | 54.5 | 175.6 | -113.7 | -23.6 | 0 | 0 | 0 | 116.4 | ||||
| 840 | T | 32.1 | Very low | 33.4 | Very low | 133 Ų | 133 | 144.9 Ų | 144.9 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -163.4 | 128.3 | 148.3 | 26 | 0 | 0 | 0 | 0 | 112 | ||
| 841 | T | 31.5 | Very low | 33.7 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | 46.2 | 77.1 | 153.5 | 57.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 842 | T | 31.2 | Very low | 34.4 | Very low | 125 Ų | 125 | 142.2 Ų | 142.2 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | 25.8 | 103.5 | 122.5 | 56.9 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 843 | N | 31.1 | Very low | 35.3 | Very low | 157 Ų | 157 | 141 Ų | 141 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | -163.6 | 157.2 | 112.4 | -109.4 | -29 | 0 | 0 | 0 | 112.5 | |||||
| 844 | N | 29.5 | Very low | 36.4 | Very low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | trans | -84.7 | 130.3 | -163.7 | -60.7 | -38.4 | 0 | 0 | 0 | 113.8 | ||||
| 845 | N | 31.4 | Very low | 37.6 | Very low | 153 Ų | 153 | 128.9 Ų | 128.9 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -170 | 81.6 | 142.5 | -100.5 | -35.7 | 0 | 0 | 0 | 111.6 | N847 | N845-N847 PolarHBondContact O-N 2.94Š| ||
| 846 | S | 30.1 | Very low | 38.7 | Very low | 119 Ų | 119 | 128 Ų | 128 | 83% | 0.832 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 78 | -178.4 | 55.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 847 | N | 35.3 | Very low | 39.9 | Very low | 146 Ų | 146 | 120.8 Ų | 120.8 | 78% | 0.781 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.9 | -8 | 174.4 | -95.3 | -46.9 | 0 | 0 | 0 | 115.6 | N845 I849 | N845-N847 PolarHBondContact O-N 2.94Å; N847-I849 VanDerWaalsContact C-N 3.31Å; N847-I849 PolarHBondContact O-N 3.48Å |
| 848 | D | 38 | Very low | 41.1 | Very low | 105 Ų | 105 | 117.9 Ų | 117.9 | 56% | 0.561 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -85.6 | 8.2 | -159.9 | -135.3 | 13.5 | 0 | 0 | 0 | 116.1 | K850 K851 | D848-K850 VanDerWaalsContact C-N 3.28Å; D848-K850 PolarHBondContact O-N 2.81Å; D848-K851 WeakPolarHBondContact OD1-CD 3.34Å; D848-K851 WeakPolarHBondContact OD1-CE 3.11Å; D848-K851 IonicContact OD1-NZ 2.66Å; D848-K851 PolarHBondContact OD1-NZ 2.88Å; D848-K851 IonicContact OD2-NZ 3.92Å; D848-K851 PolarHBondContact OD2-NZ 3.4Å |
| 849 | I | 39.2 | Very low | 42.6 | Very low | 167 Ų | 167 | 115.1 Ų | 115.1 | 86% | 0.856 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -74.8 | -12 | -168.9 | -62.4 | 175.2 | 0 | 0 | 0 | 113.3 | N847 | N847-I849 VanDerWaalsContact C-N 3.31Å; N847-I849 PolarHBondContact O-N 3.48Å |
| 850 | K | 41 | Very low | 44 | Very low | 200 Ų | 200 | 110 Ų | 110 | 87% | 0.87 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -99.8 | 10.4 | -176.3 | -72.4 | -173.7 | 176.1 | 179.1 | 0 | 115.8 | D848 D852 | D848-K850 VanDerWaalsContact C-N 3.28Å; D848-K850 PolarHBondContact O-N 2.81Å; K850-D852 PolarHBondContact O-N 2.78Å |
| 851 | K | 42.7 | Very low | 45.5 | Very low | 130 Ų | 130 | 104.8 Ų | 104.8 | 57% | 0.565 | 55% | 0.549 | S | S | * | . | trans | -67.4 | 115.1 | 179.2 | -85.3 | 172.3 | 173.4 | 158.2 | 0 | 112.1 | D848 W853 | D848-K851 WeakPolarHBondContact OD1-CD 3.34Å; D848-K851 WeakPolarHBondContact OD1-CE 3.11Å; D848-K851 IonicContact OD1-NZ 2.66Å; D848-K851 PolarHBondContact OD1-NZ 2.88Å; D848-K851 IonicContact OD2-NZ 3.92Å; D848-K851 PolarHBondContact OD2-NZ 3.4Å; K851-W853 PolarHBondContact O-N 3.19Å; K851-W853 VanDerWaalsContact O-N 3.08Å | ||
| 852 | D | 52.1 | Low | 47 | Very low | 70 Ų | 70 | 104.2 Ų | 104.2 | 37% | 0.374 | 54% | 0.538 | S | S | . | . | trans | -70 | 100.2 | -179.1 | -129.9 | -57.6 | 0 | 0 | 0 | 110.9 | R821 K825 K850 T854 | R821-D852 IonicContact CZ-OD1 3.93Å; R821-D852 VanDerWaalsContact CZ-OD1 3.29Å; R821-D852 IonicContact NE-OD1 3.32Å; R821-D852 PolarHBondContact NE-OD1 3.27Å; R821-D852 PolarHBondContact NH2-O 2.9Å; R821-D852 IonicContact NH2-OD1 2.69Å; R821-D852 PolarHBondContact NH2-OD1 2.98Å; K825-D852 VanDerWaalsContact CE-OD1 3.29Å; K825-D852 WeakPolarHBondContact CE-OD1 3.3Å; K825-D852 IonicContact NZ-OD1 4Å; K825-D852 PolarHBondContact NZ-OD1 3.31Å; K825-D852 IonicContact NZ-OD2 2.6Å; K825-D852 PolarHBondContact NZ-OD2 3.03Å; K850-D852 PolarHBondContact O-N 2.78Å; D852-T854 PolarHBondContact O-N 3.23Å | ||
| 853 | W | 53.7 | Low | 48.6 | Very low | 127 Ų | 127 | 104.4 Ų | 104.4 | 48% | 0.481 | 53% | 0.528 | S | S | . | . | trans | -76.7 | 104.4 | -166.4 | -133.1 | 62.5 | 0 | 0 | 0 | 112.6 | K851 E860 F864 | K851-W853 PolarHBondContact O-N 3.19Å; K851-W853 VanDerWaalsContact O-N 3.08Å; W853-E860 HydrophobicContact CH2-CB 4.25Å; W853-E860 HydrophobicContact CH2-CG 4.2Å; W853-F864 HydrophobicContact CE3-CD2 4.08Å; W853-F864 HydrophobicContact CZ3-CB 4.18Å; W853-F864 HydrophobicContact CZ3-CD2 4.45Å | ||
| 854 | T | 55.4 | Low | 50.1 | Low | 22 Ų | 22 | 97.8 Ų | 97.8 | 14% | 0.135 | 49% | 0.492 | C | S | . | . | trans | -104.9 | 119.4 | 169.1 | -44.2 | 0 | 0 | 0 | 0 | 108.1 | I790 P793 R821 D852 Q856 | I790-T854 PolarHBondContact O-OG1 2.93Å; P793-T854 HydrophobicContact CB-CG2 4.21Å; R821-T854 PolarHBondContact NH1-OG1 3.18Å; R821-T854 PolarHBondContact NH2-OG1 3.38Å; D852-T854 PolarHBondContact O-N 3.23Å; T854-Q856 WeakPolarHBondContact O-CG 3.48Å; T854-Q856 PolarHBondContact O-N 2.77Å | ||
| 855 | P | 56.3 | Low | 51.7 | Low | 18 Ų | 18 | 93 Ų | 93 | 12% | 0.117 | 47% | 0.467 | C | S | . | . | trans | -69.5 | 119.3 | -176.3 | 25.9 | -32.7 | 0 | 0 | 0 | 111.3 | F794 E860 Y861 | F794-P855 PolarHBondContact N-O 3.28Å; P855-E860 HydrophobicContact CB-CB 3.91Å; P855-Y861 HydrophobicContact CG-CD2 4.12Å | ||
| 856 | Q | 57.5 | Low | 53.1 | Low | 107 Ų | 107 | 92.1 Ų | 92.1 | 50% | 0.5 | 46% | 0.457 | S | S | . | . | trans | -93.9 | -25.5 | -174.5 | -58.4 | -170.4 | -14 | 0 | 0 | 112.2 | T789 T854 E860 | T789-Q856 PolarHBondContact O-NE2 2.88Å; T854-Q856 WeakPolarHBondContact O-CG 3.48Å; T854-Q856 PolarHBondContact O-N 2.77Å; Q856-E860 PolarHBondContact N-OE2 3.08Å | ||
| 857 | S | 57.3 | Low | 54.6 | Low | 40 Ų | 40 | 94.8 Ų | 94.8 | 28% | 0.28 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -114.1 | 157.8 | 173.6 | 70 | 0 | 0 | 0 | 0 | 113 | S859 E860 Y861 | S857-S859 PolarHBondContact O-N 2.87Å; S857-S859 PolarHBondContact OG-OG 3.04Å; S857-E860 PolarHBondContact N-OE2 3.42Å; S857-E860 PolarHBondContact O-N 2.76Å; S857-E860 WeakPolarHBondContact OG-CG 3.1Å; S857-E860 PolarHBondContact OG-N 2.8Å; S857-E860 VanDerWaalsContact OG-N 3.09Å; S857-E860 PolarHBondContact OG-OE2 3.22Å; S857-Y861 PolarHBondContact O-N 3.03Å |
| 858 | F | 57.3 | Low | 55.6 | Low | 108 Ų | 108 | 88.3 Ų | 88.3 | 47% | 0.474 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.9 | -31.6 | 170.1 | -173.1 | -109.5 | 0 | 0 | 0 | 112.1 | F794 Y861 Q862 | F794-F858 HydrophobicContact CE1-CB 4.23Å; F794-F858 HydrophobicContact CE1-CD2 4.1Å; F794-F858 HydrophobicContact CE2-CB 4.09Å; F794-F858 HydrophobicContact CZ-CB 3.75Å; F794-F858 HydrophobicContact CZ-CD2 4.4Å; F858-Y861 PolarHBondContact O-N 2.85Å; F858-Q862 HydrophobicContact CD1-CG 4.14Å; F858-Q862 HydrophobicContact CE1-CG 3.8Å; F858-Q862 HydrophobicContact CE2-CG 4.49Å; F858-Q862 HydrophobicContact CZ-CG 3.99Å; F858-Q862 WeakPolarHBondContact O-CB 3.01Å; F858-Q862 WeakPolarHBondContact O-CG 3.24Å; F858-Q862 PolarHBondContact O-N 2.95Å |
| 859 | S | 61.2 | Low | 56.5 | Low | 56 Ų | 56 | 84.4 Ų | 84.4 | 39% | 0.392 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.5 | -33.9 | 175.8 | 86.1 | 0 | 0 | 0 | 0 | 112.7 | S857 K863 | S857-S859 PolarHBondContact O-N 2.87Å; S857-S859 PolarHBondContact OG-OG 3.04Å; S859-K863 WeakPolarHBondContact O-CB 3.39Å; S859-K863 WeakPolarHBondContact O-CD 3.1Å; S859-K863 WeakPolarHBondContact O-CG 3.45Å; S859-K863 PolarHBondContact O-N 3.17Å |
| 860 | E | 60.9 | Low | 57.3 | Low | 55 Ų | 55 | 79.7 Ų | 79.7 | 26% | 0.257 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -76.6 | -36.7 | 174 | -73.3 | 169.1 | 146.9 | 0 | 0 | 111.5 | W853 P855 Q856 S857 K863 F864 | W853-E860 HydrophobicContact CH2-CB 4.25Å; W853-E860 HydrophobicContact CH2-CG 4.2Å; P855-E860 HydrophobicContact CB-CB 3.91Å; Q856-E860 PolarHBondContact N-OE2 3.08Å; S857-E860 PolarHBondContact N-OE2 3.42Å; S857-E860 PolarHBondContact O-N 2.76Å; S857-E860 WeakPolarHBondContact OG-CG 3.1Å; S857-E860 PolarHBondContact OG-N 2.8Å; S857-E860 VanDerWaalsContact OG-N 3.09Å; S857-E860 PolarHBondContact OG-OE2 3.22Å; E860-K863 CarbonylContact O-C 3.45Å; E860-K863 PolarHBondContact O-N 2.91Å; E860-F864 WeakPolarHBondContact O-CB 3.2Å; E860-F864 PolarHBondContact O-N 2.67Å |
| 861 | Y | 62.5 | Low | 58 | Low | 24 Ų | 24 | 73.8 Ų | 73.8 | 9% | 0.094 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 171 | -178.1 | -96.4 | 0 | 0 | 0 | 110.8 | L817 P855 S857 F858 F864 I865 F883 | L817-Y861 HydrophobicContact CD1-CE2 4.3Å; L817-Y861 HydrophobicContact CD2-CE2 4.3Å; P855-Y861 HydrophobicContact CG-CD2 4.12Å; S857-Y861 PolarHBondContact O-N 3.03Å; F858-Y861 PolarHBondContact O-N 2.85Å; Y861-F864 PolarHBondContact O-N 3.08Å; Y861-I865 HydrophobicContact CD1-CG1 4.21Å; Y861-I865 HydrophobicContact CE1-CD1 4.38Å; Y861-I865 HydrophobicContact CE1-CG1 3.78Å; Y861-I865 HydrophobicContact CE2-CD1 4.45Å; Y861-I865 HydrophobicContact CE2-CG1 4.32Å; Y861-I865 WeakPolarHBondContact O-CB 3.44Å; Y861-I865 VanDerWaalsContact O-CG1 3.3Å; Y861-I865 WeakPolarHBondContact O-CG1 3.42Å; Y861-I865 PolarHBondContact O-N 2.79Å; Y861-F883 HydrophobicContact CE1-CE2 4.34Å; Y861-F883 AromaticContact CE1-CZ 3.88Å; Y861-F883 HydrophobicContact CE1-CZ 3.88Å; Y861-F883 VanDerWaalsContact OH-CE2 3.25Å; Y861-F883 WeakPolarHBondContact OH-CE2 3.36Å |
| 862 | Q | 62.5 | Low | 58.5 | Low | 110 Ų | 110 | 69.8 Ų | 69.8 | 51% | 0.514 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 171.7 | -77.4 | -174.9 | -49.3 | 0 | 0 | 111.7 | F858 F864 I865 H866 | F858-Q862 HydrophobicContact CD1-CG 4.14Å; F858-Q862 HydrophobicContact CE1-CG 3.8Å; F858-Q862 HydrophobicContact CE2-CG 4.49Å; F858-Q862 HydrophobicContact CZ-CG 3.99Å; F858-Q862 WeakPolarHBondContact O-CB 3.01Å; F858-Q862 WeakPolarHBondContact O-CG 3.24Å; F858-Q862 PolarHBondContact O-N 2.95Å; Q862-F864 VanDerWaalsContact C-N 3.32Å; Q862-F864 PolarHBondContact O-N 2.92Å; Q862-I865 PolarHBondContact O-N 3.01Å; Q862-H866 WeakPolarHBondContact O-CB 3.2Å; Q862-H866 PolarHBondContact O-N 3.07Å |
| 863 | K | 65.2 | Low | 58.2 | Low | 129 Ų | 129 | 76.4 Ų | 76.4 | 56% | 0.561 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.7 | -34.9 | 176.1 | -75.3 | 164.1 | -177.4 | 170.9 | 0 | 112.9 | S859 E860 R867 | S859-K863 WeakPolarHBondContact O-CB 3.39Å; S859-K863 WeakPolarHBondContact O-CD 3.1Å; S859-K863 WeakPolarHBondContact O-CG 3.45Å; S859-K863 PolarHBondContact O-N 3.17Å; E860-K863 CarbonylContact O-C 3.45Å; E860-K863 PolarHBondContact O-N 2.91Å; K863-R867 WeakPolarHBondContact O-CB 3.24Å; K863-R867 PolarHBondContact O-N 2.87Å |
| 864 | F | 63.8 | Low | 58.1 | Low | 19 Ų | 19 | 78.6 Ų | 78.6 | 8% | 0.083 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.1 | -51.8 | 176.8 | -179.9 | -101.8 | 0 | 0 | 0 | 110.7 | L817 I820 L824 W853 E860 Y861 Q862 H866 R867 F868 | L817-F864 HydrophobicContact CD2-CE1 4.01Å; I820-F864 HydrophobicContact CG2-CE1 3.61Å; I820-F864 HydrophobicContact CG2-CZ 3.63Å; L824-F864 HydrophobicContact CD1-CD2 4.3Å; L824-F864 HydrophobicContact CD1-CE2 3.66Å; L824-F864 HydrophobicContact CD1-CZ 4.06Å; W853-F864 HydrophobicContact CE3-CD2 4.08Å; W853-F864 HydrophobicContact CZ3-CB 4.18Å; W853-F864 HydrophobicContact CZ3-CD2 4.45Å; E860-F864 WeakPolarHBondContact O-CB 3.2Å; E860-F864 PolarHBondContact O-N 2.67Å; Y861-F864 PolarHBondContact O-N 3.08Å; Q862-F864 VanDerWaalsContact C-N 3.32Å; Q862-F864 PolarHBondContact O-N 2.92Å; F864-H866 VanDerWaalsContact C-N 3.32Å; F864-H866 PolarHBondContact O-N 3Å; F864-R867 PolarHBondContact O-N 3.02Å; F864-F868 WeakPolarHBondContact O-CB 3.34Å; F864-F868 PolarHBondContact O-N 3.41Å |
| 865 | I | 61.7 | Low | 57.9 | Low | 49 Ų | 49 | 81.8 Ų | 81.8 | 25% | 0.251 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.3 | -45.6 | 173 | -66.8 | -68.7 | 0 | 0 | 0 | 110.7 | Y861 Q862 R867 F868 S869 | Y861-I865 HydrophobicContact CD1-CG1 4.21Å; Y861-I865 HydrophobicContact CE1-CD1 4.38Å; Y861-I865 HydrophobicContact CE1-CG1 3.78Å; Y861-I865 HydrophobicContact CE2-CD1 4.45Å; Y861-I865 HydrophobicContact CE2-CG1 4.32Å; Y861-I865 WeakPolarHBondContact O-CB 3.44Å; Y861-I865 VanDerWaalsContact O-CG1 3.3Å; Y861-I865 WeakPolarHBondContact O-CG1 3.42Å; Y861-I865 PolarHBondContact O-N 2.79Å; Q862-I865 PolarHBondContact O-N 3.01Å; I865-R867 PolarHBondContact O-N 2.85Å; I865-F868 PolarHBondContact O-N 3.31Å; I865-S869 WeakPolarHBondContact O-CB 3.36Å; I865-S869 PolarHBondContact O-N 2.97Å; I865-S869 PolarHBondContact O-OG 2.66Å |
| 866 | H | 62 | Low | 57.4 | Low | 134 Ų | 134 | 83.7 Ų | 83.7 | 62% | 0.62 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -73 | -26.1 | -177.2 | -157.7 | -38.2 | 0 | 0 | 0 | 113.2 | Q862 F864 S869 S870 | Q862-H866 WeakPolarHBondContact O-CB 3.2Å; Q862-H866 PolarHBondContact O-N 3.07Å; F864-H866 VanDerWaalsContact C-N 3.32Å; F864-H866 PolarHBondContact O-N 3Å; H866-S869 WeakPolarHBondContact CA-OG 3.34Å; H866-S869 PolarHBondContact O-OG 2.94Å; H866-S870 VanDerWaalsContact O-CB 3.3Å; H866-S870 WeakPolarHBondContact O-CB 3.35Å; H866-S870 PolarHBondContact O-N 3.12Å; H866-S870 PolarHBondContact O-OG 3.3Å |
| 867 | R | 60.6 | Low | 57.1 | Low | 174 Ų | 174 | 84.5 Ų | 84.5 | 66% | 0.657 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -76.4 | -43.4 | 172 | -169.3 | 172.9 | -167.2 | 157.9 | 4.7 | 110.8 | K863 F864 I865 S869 S870 T871 | K863-R867 WeakPolarHBondContact O-CB 3.24Å; K863-R867 PolarHBondContact O-N 2.87Å; F864-R867 PolarHBondContact O-N 3.02Å; I865-R867 PolarHBondContact O-N 2.85Å; R867-S869 VanDerWaalsContact C-N 3.33Å; R867-S869 PolarHBondContact O-N 3.19Å; R867-S870 PolarHBondContact O-N 2.58Å; R867-S870 PolarHBondContact O-OG 2.92Å; R867-T871 PolarHBondContact O-N 2.89Å; R867-T871 PolarHBondContact O-OG1 3.41Å |
| 868 | F | 57.2 | Low | 56.8 | Low | 10 Ų | 10 | 88 Ų | 88 | 4% | 0.044 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 173.6 | -177.1 | -98.8 | 0 | 0 | 0 | 111.9 | I820 S823 L824 F864 I865 S870 T871 N872 M879 | I820-F868 HydrophobicContact CB-CE2 4.46Å; I820-F868 HydrophobicContact CD1-CE1 4.44Å; I820-F868 HydrophobicContact CG1-CE1 4.22Å; I820-F868 HydrophobicContact CG1-CE2 4.14Å; I820-F868 HydrophobicContact CG1-CZ 3.94Å; I820-F868 HydrophobicContact CG2-CD2 3.69Å; I820-F868 HydrophobicContact CG2-CE2 3.97Å; I820-F868 HydrophobicContact CG2-CG 4.02Å; S823-F868 WeakPolarHBondContact OG-CE2 3.49Å; L824-F868 HydrophobicContact CD1-CD2 4.4Å; L824-F868 HydrophobicContact CG-CD2 4.32Å; F864-F868 WeakPolarHBondContact O-CB 3.34Å; F864-F868 PolarHBondContact O-N 3.41Å; I865-F868 PolarHBondContact O-N 3.31Å; F868-S870 VanDerWaalsContact C-N 3.33Å; F868-T871 PolarHBondContact O-OG1 3.06Å; F868-N872 WeakPolarHBondContact CE2-ND2 3.47Å; F868-N872 VanDerWaalsContact CZ-ND2 3.3Å; F868-N872 WeakPolarHBondContact CZ-ND2 3.22Å; F868-N872 WeakPolarHBondContact O-CB 3.46Å; F868-N872 PolarHBondContact O-N 3.21Å; F868-M879 HydrophobicContact CD1-CE 3.63Å; F868-M879 HydrophobicContact CE1-CE 3.7Å; F868-M879 HydrophobicContact CE1-SD 4.31Å |
| 869 | S | 56 | Low | 56.4 | Low | 24 Ų | 24 | 85.7 Ų | 85.7 | 17% | 0.168 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -78.1 | -12.9 | 175.8 | 71.7 | 0 | 0 | 0 | 0 | 114.3 | I865 H866 R867 N876 | I865-S869 WeakPolarHBondContact O-CB 3.36Å; I865-S869 PolarHBondContact O-N 2.97Å; I865-S869 PolarHBondContact O-OG 2.66Å; H866-S869 WeakPolarHBondContact CA-OG 3.34Å; H866-S869 PolarHBondContact O-OG 2.94Å; R867-S869 VanDerWaalsContact C-N 3.33Å; R867-S869 PolarHBondContact O-N 3.19Å; S869-N876 WeakPolarHBondContact CB-OD1 3.29Å; S869-N876 PolarHBondContact O-ND2 3.04Å |
| 870 | S | 56.2 | Low | 55.9 | Low | 68 Ų | 68 | 89.6 Ų | 89.6 | 48% | 0.476 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -85.6 | -34.3 | 169.8 | 72.9 | 0 | 0 | 0 | 0 | 112.9 | H866 R867 F868 | H866-S870 VanDerWaalsContact O-CB 3.3Å; H866-S870 WeakPolarHBondContact O-CB 3.35Å; H866-S870 PolarHBondContact O-N 3.12Å; H866-S870 PolarHBondContact O-OG 3.3Å; R867-S870 PolarHBondContact O-N 2.58Å; R867-S870 PolarHBondContact O-OG 2.92Å; F868-S870 VanDerWaalsContact C-N 3.33Å |
| 871 | T | 56.6 | Low | 55.4 | Low | 76 Ų | 76 | 93.4 Ų | 93.4 | 47% | 0.466 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -71.6 | -44.6 | 171 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | R867 F868 R873 | R867-T871 PolarHBondContact O-N 2.89Å; R867-T871 PolarHBondContact O-OG1 3.41Å; F868-T871 PolarHBondContact O-OG1 3.06Å; T871-R873 PolarHBondContact O-N 2.99Å |
| 872 | N | 52 | Low | 54.9 | Low | 46 Ų | 46 | 96 Ų | 96 | 25% | 0.246 | 46% | 0.456 | C | S | . | . | trans | -102.3 | 68.7 | -174.4 | -64.4 | -5.6 | 0 | 0 | 0 | 110.7 | F868 E874 Y875 | F868-N872 WeakPolarHBondContact CE2-ND2 3.47Å; F868-N872 VanDerWaalsContact CZ-ND2 3.3Å; F868-N872 WeakPolarHBondContact CZ-ND2 3.22Å; F868-N872 WeakPolarHBondContact O-CB 3.46Å; F868-N872 PolarHBondContact O-N 3.21Å; N872-E874 VanDerWaalsContact C-N 3.27Å; N872-E874 PolarHBondContact O-N 3.35Å; N872-Y875 HydrophobicContact CB-CD2 3.71Å; N872-Y875 HydrophobicContact CB-CE2 4.45Å; N872-Y875 HydrophobicContact CB-CG 4.18Å; N872-Y875 PolarHBondContact O-N 2.7Å; N872-Y875 VanDerWaalsContact O-N 3.09Å | ||
| 873 | R | 46.6 | Very low | 53.9 | Low | 208 Ų | 208 | 95.1 Ų | 95.1 | 79% | 0.785 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -52.5 | -40.7 | -173.7 | -79.3 | -170.9 | 175.2 | -171.4 | -0.4 | 113.8 | T871 Y875 N876 | T871-R873 PolarHBondContact O-N 2.99Å; R873-Y875 VanDerWaalsContact C-N 3.32Å; R873-Y875 PolarHBondContact O-N 3.39Å; R873-N876 WeakPolarHBondContact O-CB 3.25Å; R873-N876 PolarHBondContact O-N 3.45Å; R873-N876 PolarHBondContact O-ND2 3.46Å |
| 874 | E | 52.1 | Low | 53.2 | Low | 174 Ų | 174 | 95 Ų | 95 | 81% | 0.813 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -68.5 | -28.8 | -177.1 | -62.2 | 179.5 | 142.1 | 0 | 0 | 113.1 | N872 N876 | N872-E874 VanDerWaalsContact C-N 3.27Å; N872-E874 PolarHBondContact O-N 3.35Å; E874-N876 PolarHBondContact O-N 3.09Å |
| 875 | Y | 51.1 | Low | 52.4 | Low | 89 Ų | 89 | 98.7 Ų | 98.7 | 35% | 0.349 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -79.3 | -0.5 | -177.1 | -67.7 | -105 | 0 | 0 | 0 | 113.7 | N872 R873 N877 M879 | N872-Y875 HydrophobicContact CB-CD2 3.71Å; N872-Y875 HydrophobicContact CB-CE2 4.45Å; N872-Y875 HydrophobicContact CB-CG 4.18Å; N872-Y875 PolarHBondContact O-N 2.7Å; N872-Y875 VanDerWaalsContact O-N 3.09Å; R873-Y875 VanDerWaalsContact C-N 3.32Å; R873-Y875 PolarHBondContact O-N 3.39Å; Y875-N877 PolarHBondContact O-N 3.35Å; Y875-M879 PolarHBondContact O-N 2.84Å |
| 876 | N | 45.9 | Very low | 51.7 | Low | 58 Ų | 58 | 99 Ų | 99 | 31% | 0.31 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.5 | -38.7 | -171.2 | -97 | -79.6 | 0 | 0 | 0 | 114.5 | S869 R873 E874 K880 | S869-N876 WeakPolarHBondContact CB-OD1 3.29Å; S869-N876 PolarHBondContact O-ND2 3.04Å; R873-N876 WeakPolarHBondContact O-CB 3.25Å; R873-N876 PolarHBondContact O-N 3.45Å; R873-N876 PolarHBondContact O-ND2 3.46Å; E874-N876 PolarHBondContact O-N 3.09Å; N876-K880 WeakPolarHBondContact O-CB 3.24Å; N876-K880 PolarHBondContact O-N 2.69Å |
| 877 | N | 51.1 | Low | 50.8 | Low | 124 Ų | 124 | 96.2 Ų | 96.2 | 66% | 0.663 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -77.7 | -48.2 | -169.8 | -70.4 | -29.3 | 0 | 0 | 0 | 111.9 | Y875 K880 R881 | Y875-N877 PolarHBondContact O-N 3.35Å; N877-K880 PolarHBondContact O-N 3.21Å; N877-R881 WeakPolarHBondContact O-CB 3.43Å; N877-R881 PolarHBondContact O-N 3.46Å |
| 878 | D | 51 | Low | 49.9 | Very low | 112 Ų | 112 | 89.4 Ų | 89.4 | 60% | 0.599 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -78 | -35.6 | -172.3 | -62.4 | -48.1 | 0 | 0 | 0 | 113 | K880 R881 S882 | D878-K880 VanDerWaalsContact C-N 3.32Å; D878-K880 PolarHBondContact O-N 3.46Å; D878-R881 PolarHBondContact O-N 2.94Å; D878-S882 WeakPolarHBondContact O-CB 3.36Å; D878-S882 PolarHBondContact O-N 2.89Å |
| 879 | M | 49.2 | Very low | 49.2 | Very low | 60 Ų | 60 | 94 Ų | 94 | 30% | 0.296 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.3 | -45 | 168.8 | -85.6 | -97 | -67.3 | 0 | 0 | 111.5 | I820 F868 Y875 S882 F883 | I820-M879 HydrophobicContact CD1-CE 4Å; I820-M879 HydrophobicContact CD1-SD 4.23Å; F868-M879 HydrophobicContact CD1-CE 3.63Å; F868-M879 HydrophobicContact CE1-CE 3.7Å; F868-M879 HydrophobicContact CE1-SD 4.31Å; Y875-M879 PolarHBondContact O-N 2.84Å; M879-S882 PolarHBondContact O-N 2.99Å; M879-F883 WeakPolarHBondContact O-CB 3.29Å; M879-F883 PolarHBondContact O-N 2.73Å |
| 880 | K | 50 | Low | 48.5 | Very low | 138 Ų | 138 | 96.9 Ų | 96.9 | 60% | 0.6 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66 | -42.4 | -180 | -170.9 | 175.2 | -176.3 | 179.1 | 0 | 111.5 | N876 N877 D878 F883 Q884 | N876-K880 WeakPolarHBondContact O-CB 3.24Å; N876-K880 PolarHBondContact O-N 2.69Å; N877-K880 PolarHBondContact O-N 3.21Å; D878-K880 VanDerWaalsContact C-N 3.32Å; D878-K880 PolarHBondContact O-N 3.46Å; K880-F883 PolarHBondContact O-N 3.25Å; K880-Q884 WeakPolarHBondContact O-CB 3.27Å; K880-Q884 VanDerWaalsContact O-CG 3.31Å; K880-Q884 WeakPolarHBondContact O-CG 3.33Å; K880-Q884 PolarHBondContact O-N 2.91Å |
| 881 | R | 51.4 | Low | 48.1 | Very low | 136 Ų | 136 | 98.9 Ų | 98.9 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 176.5 | -162.7 | 175.2 | -169.8 | -179 | 0.5 | 112.4 | N877 D878 Q884 N885 | N877-R881 WeakPolarHBondContact O-CB 3.43Å; N877-R881 PolarHBondContact O-N 3.46Å; D878-R881 PolarHBondContact O-N 2.94Å; R881-Q884 PolarHBondContact O-N 2.9Å; R881-N885 WeakPolarHBondContact O-CB 3.42Å; R881-N885 VanDerWaalsContact O-CG 3.3Å; R881-N885 PolarHBondContact O-N 2.93Å; R881-N885 PolarHBondContact O-OD1 3.29Å |
| 882 | S | 50 | Low | 47.4 | Very low | 79 Ų | 79 | 98.4 Ų | 98.4 | 55% | 0.552 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64 | -44.2 | 175.1 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | D878 M879 N885 C886 | D878-S882 WeakPolarHBondContact O-CB 3.36Å; D878-S882 PolarHBondContact O-N 2.89Å; M879-S882 PolarHBondContact O-N 2.99Å; S882-N885 PolarHBondContact O-N 2.89Å; S882-C886 WeakPolarHBondContact O-CB 3.28Å; S882-C886 PolarHBondContact O-N 2.9Å |
| 883 | F | 43.1 | Very low | 47 | Very low | 91 Ų | 91 | 99.7 Ų | 99.7 | 40% | 0.399 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 176.8 | -162.7 | -109.4 | 0 | 0 | 0 | 112.5 | Y861 M879 K880 C886 I887 | Y861-F883 HydrophobicContact CE1-CE2 4.34Å; Y861-F883 AromaticContact CE1-CZ 3.88Å; Y861-F883 HydrophobicContact CE1-CZ 3.88Å; Y861-F883 VanDerWaalsContact OH-CE2 3.25Å; Y861-F883 WeakPolarHBondContact OH-CE2 3.36Å; M879-F883 WeakPolarHBondContact O-CB 3.29Å; M879-F883 PolarHBondContact O-N 2.73Å; K880-F883 PolarHBondContact O-N 3.25Å; F883-C886 PolarHBondContact O-N 3Å; F883-I887 HydrophobicContact CD1-CD1 3.86Å; F883-I887 HydrophobicContact CE1-CD1 3.38Å; F883-I887 HydrophobicContact CE1-CG1 4.38Å; F883-I887 HydrophobicContact CZ-CD1 3.78Å; F883-I887 PolarHBondContact O-N 2.76Å |
| 884 | Q | 49.9 | Very low | 46.7 | Very low | 126 Ų | 126 | 97 Ų | 97 | 59% | 0.589 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64 | -40.2 | 172.1 | -75 | -179.1 | -87.8 | 0 | 0 | 112.2 | K880 R881 G888 | K880-Q884 WeakPolarHBondContact O-CB 3.27Å; K880-Q884 VanDerWaalsContact O-CG 3.31Å; K880-Q884 WeakPolarHBondContact O-CG 3.33Å; K880-Q884 PolarHBondContact O-N 2.91Å; R881-Q884 PolarHBondContact O-N 2.9Å; Q884-G888 WeakPolarHBondContact O-CA 3.2Å; Q884-G888 PolarHBondContact O-N 2.95Å |
| 885 | N | 47.6 | Very low | 46.2 | Very low | 97 Ų | 97 | 90.8 Ų | 90.8 | 52% | 0.519 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 174.6 | -74.3 | -0.7 | 0 | 0 | 0 | 112.2 | R881 S882 G888 N889 | R881-N885 WeakPolarHBondContact O-CB 3.42Å; R881-N885 VanDerWaalsContact O-CG 3.3Å; R881-N885 PolarHBondContact O-N 2.93Å; R881-N885 PolarHBondContact O-OD1 3.29Å; S882-N885 PolarHBondContact O-N 2.89Å; N885-G888 PolarHBondContact O-N 3.13Å; N885-N889 WeakPolarHBondContact O-CB 3.41Å; N885-N889 PolarHBondContact O-N 3.31Å; N885-N889 PolarHBondContact O-OD1 3.4Å |
| 886 | C | 46.5 | Very low | 45.9 | Very low | 55 Ų | 55 | 93.6 Ų | 93.6 | 37% | 0.372 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66 | -48.2 | 178.2 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | S882 F883 N889 I890 | S882-C886 WeakPolarHBondContact O-CB 3.28Å; S882-C886 PolarHBondContact O-N 2.9Å; F883-C886 PolarHBondContact O-N 3Å; C886-N889 PolarHBondContact O-N 3.5Å; C886-I890 WeakPolarHBondContact O-CD1 2.99Å; C886-I890 VanDerWaalsContact O-CG1 3.3Å; C886-I890 WeakPolarHBondContact O-CG1 3.48Å; C886-I890 PolarHBondContact O-N 3.12Å |
| 887 | I | 42.7 | Very low | 45.6 | Very low | 75 Ų | 75 | 98.2 Ų | 98.2 | 39% | 0.385 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 174.2 | -71.8 | 179.9 | 0 | 0 | 0 | 111 | F883 I890 I891 | F883-I887 HydrophobicContact CD1-CD1 3.86Å; F883-I887 HydrophobicContact CE1-CD1 3.38Å; F883-I887 HydrophobicContact CE1-CG1 4.38Å; F883-I887 HydrophobicContact CZ-CD1 3.78Å; F883-I887 PolarHBondContact O-N 2.76Å; I887-I890 PolarHBondContact O-N 2.91Å; I887-I891 HydrophobicContact CG2-CD1 3.6Å; I887-I891 HydrophobicContact CG2-CG1 4.29Å; I887-I891 WeakPolarHBondContact O-CB 3.16Å; I887-I891 VanDerWaalsContact O-CG1 3.31Å; I887-I891 WeakPolarHBondContact O-CG1 3.27Å; I887-I891 PolarHBondContact O-N 2.9Å |
| 888 | G | 41 | Very low | 45 | Very low | 32 Ų | 32 | 97.8 Ų | 97.8 | 33% | 0.33 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.5 | -51.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q884 N885 I890 I891 D892 | Q884-G888 WeakPolarHBondContact O-CA 3.2Å; Q884-G888 PolarHBondContact O-N 2.95Å; N885-G888 PolarHBondContact O-N 3.13Å; G888-I890 VanDerWaalsContact C-N 3.33Å; G888-I890 PolarHBondContact O-N 3.23Å; G888-I891 PolarHBondContact O-N 2.86Å; G888-D892 VanDerWaalsContact O-CB 3.24Å; G888-D892 WeakPolarHBondContact O-CB 3.22Å; G888-D892 PolarHBondContact O-N 3.41Å |
| 889 | N | 43.5 | Very low | 44.6 | Very low | 105 Ų | 105 | 95.6 Ų | 95.6 | 56% | 0.561 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.2 | -36.7 | 178.6 | -70.8 | -2.9 | 0 | 0 | 0 | 112.1 | N885 C886 S893 | N885-N889 WeakPolarHBondContact O-CB 3.41Å; N885-N889 PolarHBondContact O-N 3.31Å; N885-N889 PolarHBondContact O-OD1 3.4Å; C886-N889 PolarHBondContact O-N 3.5Å; N889-S893 VanDerWaalsContact O-CB 3.27Å; N889-S893 WeakPolarHBondContact O-CB 3.36Å; N889-S893 PolarHBondContact O-N 3.3Å; N889-S893 PolarHBondContact O-OG 2.89Å |
| 890 | I | 42 | Very low | 44.2 | Very low | 86 Ų | 86 | 97.2 Ų | 97.2 | 44% | 0.441 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.5 | -46.4 | 176.4 | -70.5 | 164.6 | 0 | 0 | 0 | 110.5 | C886 I887 G888 S893 F894 | C886-I890 WeakPolarHBondContact O-CD1 2.99Å; C886-I890 VanDerWaalsContact O-CG1 3.3Å; C886-I890 WeakPolarHBondContact O-CG1 3.48Å; C886-I890 PolarHBondContact O-N 3.12Å; I887-I890 PolarHBondContact O-N 2.91Å; G888-I890 VanDerWaalsContact C-N 3.33Å; G888-I890 PolarHBondContact O-N 3.23Å; I890-S893 PolarHBondContact O-N 3.23Å; I890-F894 HydrophobicContact CG2-CD2 3.91Å; I890-F894 HydrophobicContact CG2-CE2 4.04Å; I890-F894 WeakPolarHBondContact O-CD2 3.46Å; I890-F894 PolarHBondContact O-N 2.81Å |
| 891 | I | 46.4 | Very low | 43.7 | Very low | 110 Ų | 110 | 94.5 Ų | 94.5 | 56% | 0.564 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.7 | -45.3 | 177.5 | -69.4 | 172 | 0 | 0 | 0 | 110.9 | I887 G888 S893 F894 A895 | I887-I891 HydrophobicContact CG2-CD1 3.6Å; I887-I891 HydrophobicContact CG2-CG1 4.29Å; I887-I891 WeakPolarHBondContact O-CB 3.16Å; I887-I891 VanDerWaalsContact O-CG1 3.31Å; I887-I891 WeakPolarHBondContact O-CG1 3.27Å; I887-I891 PolarHBondContact O-N 2.9Å; G888-I891 PolarHBondContact O-N 2.86Å; I891-S893 VanDerWaalsContact C-N 3.33Å; I891-S893 PolarHBondContact O-N 3.41Å; I891-F894 PolarHBondContact O-N 2.74Å; I891-A895 WeakPolarHBondContact O-CB 3.34Å; I891-A895 PolarHBondContact O-N 2.56Å |
| 892 | D | 42.2 | Very low | 43.1 | Very low | 66 Ų | 66 | 93.2 Ų | 93.2 | 35% | 0.353 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.4 | -35.1 | 177.4 | -169.6 | 19.6 | 0 | 0 | 0 | 111.5 | G888 A895 R896 | G888-D892 VanDerWaalsContact O-CB 3.24Å; G888-D892 WeakPolarHBondContact O-CB 3.22Å; G888-D892 PolarHBondContact O-N 3.41Å; D892-A895 PolarHBondContact O-N 2.6Å; D892-R896 VanDerWaalsContact CG-NE 3.3Å; D892-R896 WeakPolarHBondContact O-CB 3.42Å; D892-R896 WeakPolarHBondContact O-CD 3.47Å; D892-R896 WeakPolarHBondContact O-CG 3.37Å; D892-R896 PolarHBondContact O-N 2.83Å; D892-R896 IonicContact OD1-CZ 2.74Å; D892-R896 IonicContact OD1-NE 3.7Å; D892-R896 PolarHBondContact OD1-NE 2.83Å; D892-R896 IonicContact OD1-NH2 2.82Å; D892-R896 IonicContact OD2-CZ 3.49Å; D892-R896 IonicContact OD2-NE 2.74Å; D892-R896 PolarHBondContact OD2-NE 2.84Å; D892-R896 IonicContact OD2-NH2 2.7Å; D892-R896 PolarHBondContact OD2-NH2 2.85Å |
| 893 | S | 43 | Very low | 42.7 | Very low | 72 Ų | 72 | 94 Ų | 94 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.1 | -45.2 | 174 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | N889 I890 I891 F897 | N889-S893 VanDerWaalsContact O-CB 3.27Å; N889-S893 WeakPolarHBondContact O-CB 3.36Å; N889-S893 PolarHBondContact O-N 3.3Å; N889-S893 PolarHBondContact O-OG 2.89Å; I890-S893 PolarHBondContact O-N 3.23Å; I891-S893 VanDerWaalsContact C-N 3.33Å; I891-S893 PolarHBondContact O-N 3.41Å; S893-F897 PolarHBondContact O-N 2.83Å; S893-F897 VanDerWaalsContact O-N 3.1Å |
| 894 | F | 40.2 | Very low | 42.5 | Very low | 151 Ų | 151 | 98 Ų | 98 | 66% | 0.662 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.7 | -38 | 175.3 | -85.8 | -73.1 | 0 | 0 | 0 | 112.2 | I890 I891 F897 E898 | I890-F894 HydrophobicContact CG2-CD2 3.91Å; I890-F894 HydrophobicContact CG2-CE2 4.04Å; I890-F894 WeakPolarHBondContact O-CD2 3.46Å; I890-F894 PolarHBondContact O-N 2.81Å; I891-F894 PolarHBondContact O-N 2.74Å; F894-F897 PolarHBondContact O-N 2.81Å; F894-E898 PolarHBondContact O-N 3.25Å |
| 895 | A | 42.8 | Very low | 42.2 | Very low | 44 Ų | 44 | 100.3 Ų | 100.3 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I891 D892 F897 E898 V899 | I891-A895 WeakPolarHBondContact O-CB 3.34Å; I891-A895 PolarHBondContact O-N 2.56Å; D892-A895 PolarHBondContact O-N 2.6Å; A895-F897 PolarHBondContact O-N 3.21Å; A895-E898 PolarHBondContact O-N 2.79Å; A895-V899 WeakPolarHBondContact O-CB 3.45Å; A895-V899 VanDerWaalsContact O-CG2 3.23Å; A895-V899 WeakPolarHBondContact O-CG2 3.34Å; A895-V899 PolarHBondContact O-N 3.28Å |
| 896 | R | 43.9 | Very low | 41.8 | Very low | 149 Ų | 149 | 105.6 Ų | 105.6 | 56% | 0.562 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.6 | -44 | 174.1 | -70.7 | 166.7 | -165.5 | -144.5 | 9.6 | 111.8 | D892 E898 V899 D900 | D892-R896 VanDerWaalsContact CG-NE 3.3Å; D892-R896 WeakPolarHBondContact O-CB 3.42Å; D892-R896 WeakPolarHBondContact O-CD 3.47Å; D892-R896 WeakPolarHBondContact O-CG 3.37Å; D892-R896 PolarHBondContact O-N 2.83Å; D892-R896 IonicContact OD1-CZ 2.74Å; D892-R896 IonicContact OD1-NE 3.7Å; D892-R896 PolarHBondContact OD1-NE 2.83Å; D892-R896 IonicContact OD1-NH2 2.82Å; D892-R896 IonicContact OD2-CZ 3.49Å; D892-R896 IonicContact OD2-NE 2.74Å; D892-R896 PolarHBondContact OD2-NE 2.84Å; D892-R896 IonicContact OD2-NH2 2.7Å; D892-R896 PolarHBondContact OD2-NH2 2.85Å; R896-E898 VanDerWaalsContact C-N 3.32Å; R896-E898 PolarHBondContact O-N 3.07Å; R896-V899 CarbonylContact O-C 3.52Å; R896-V899 PolarHBondContact O-N 2.82Å; R896-D900 WeakPolarHBondContact O-CB 3.47Å; R896-D900 PolarHBondContact O-N 3.12Å |
| 897 | F | 40.1 | Very low | 41.2 | Very low | 155 Ų | 155 | 110.3 Ų | 110.3 | 68% | 0.68 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63 | -33.8 | 176.3 | -123.6 | -83.4 | 0 | 0 | 0 | 113.6 | S893 F894 A895 C901 | S893-F897 PolarHBondContact O-N 2.83Å; S893-F897 VanDerWaalsContact O-N 3.1Å; F894-F897 PolarHBondContact O-N 2.81Å; A895-F897 PolarHBondContact O-N 3.21Å; F897-C901 PolarHBondContact O-SG 2.94Å |
| 898 | E | 38.6 | Very low | 40.9 | Very low | 115 Ų | 115 | 115.6 Ų | 115.6 | 54% | 0.537 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -74.6 | -31.5 | 170.7 | -84.8 | -151 | 94.4 | 0 | 0 | 113.3 | F894 A895 R896 K902 | F894-E898 PolarHBondContact O-N 3.25Å; A895-E898 PolarHBondContact O-N 2.79Å; R896-E898 VanDerWaalsContact C-N 3.32Å; R896-E898 PolarHBondContact O-N 3.07Å; E898-K902 WeakPolarHBondContact O-CB 3.49Å; E898-K902 VanDerWaalsContact O-CD 3.3Å; E898-K902 WeakPolarHBondContact O-CD 3.46Å; E898-K902 WeakPolarHBondContact O-CG 3.27Å; E898-K902 PolarHBondContact O-N 3.28Å; E898-K902 WeakPolarHBondContact OE1-CE 3.5Å; E898-K902 IonicContact OE1-NZ 2.88Å; E898-K902 PolarHBondContact OE1-NZ 3.31Å |
| 899 | V | 43.2 | Very low | 40.7 | Very low | 66 Ų | 66 | 122 Ų | 122 | 40% | 0.4 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -73.5 | -49.7 | 178.3 | 167 | 0 | 0 | 0 | 0 | 110.6 | A895 R896 C901 K902 E903 | A895-V899 WeakPolarHBondContact O-CB 3.45Å; A895-V899 VanDerWaalsContact O-CG2 3.23Å; A895-V899 WeakPolarHBondContact O-CG2 3.34Å; A895-V899 PolarHBondContact O-N 3.28Å; R896-V899 CarbonylContact O-C 3.52Å; R896-V899 PolarHBondContact O-N 2.82Å; V899-C901 VanDerWaalsContact C-N 3.25Å; V899-C901 PolarHBondContact O-N 2.79Å; V899-K902 CarbonylContact O-C 3.4Å; V899-K902 PolarHBondContact O-N 3.26Å; V899-E903 HydrophobicContact CG1-CG 3.8Å; V899-E903 PolarHBondContact O-N 2.91Å |
| 900 | D | 40.5 | Very low | 40.3 | Very low | 93 Ų | 93 | 125.6 Ų | 125.6 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -55.9 | -40.9 | 177.5 | -70.1 | -36 | 0 | 0 | 0 | 111.4 | R896 K902 Q904 | R896-D900 WeakPolarHBondContact O-CB 3.47Å; R896-D900 PolarHBondContact O-N 3.12Å; D900-K902 VanDerWaalsContact C-N 3.3Å; D900-K902 PolarHBondContact O-N 2.89Å; D900-Q904 WeakPolarHBondContact O-CG 3.5Å |
| 901 | C | 39.1 | Very low | 39.7 | Very low | 82 Ų | 82 | 127 Ų | 127 | 55% | 0.554 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.5 | -22.1 | 175.2 | -69.7 | 0 | 0 | 0 | 0 | 114.4 | F897 V899 | F897-C901 PolarHBondContact O-SG 2.94Å; V899-C901 VanDerWaalsContact C-N 3.25Å; V899-C901 PolarHBondContact O-N 2.79Å |
| 902 | K | 38.8 | Very low | 38.9 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 47% | 0.47 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -104.4 | -28.5 | -176.6 | -70.5 | 172.1 | -166.4 | 170.3 | 0 | 113.2 | E898 V899 D900 Q905 R906 | E898-K902 WeakPolarHBondContact O-CB 3.49Å; E898-K902 VanDerWaalsContact O-CD 3.3Å; E898-K902 WeakPolarHBondContact O-CD 3.46Å; E898-K902 WeakPolarHBondContact O-CG 3.27Å; E898-K902 PolarHBondContact O-N 3.28Å; E898-K902 WeakPolarHBondContact OE1-CE 3.5Å; E898-K902 IonicContact OE1-NZ 2.88Å; E898-K902 PolarHBondContact OE1-NZ 3.31Å; V899-K902 CarbonylContact O-C 3.4Å; V899-K902 PolarHBondContact O-N 3.26Å; D900-K902 VanDerWaalsContact C-N 3.3Å; D900-K902 PolarHBondContact O-N 2.89Å; K902-Q905 PolarHBondContact O-N 3.02Å; K902-R906 PolarHBondContact O-N 3.49Å |
| 903 | E | 40.9 | Very low | 38.5 | Very low | 97 Ų | 97 | 132.8 Ų | 132.8 | 45% | 0.453 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -70.1 | -36.4 | 177.2 | -73.4 | -164.6 | 166.1 | 0 | 0 | 112.2 | V899 Q905 R906 Q907 | V899-E903 HydrophobicContact CG1-CG 3.8Å; V899-E903 PolarHBondContact O-N 2.91Å; E903-Q905 PolarHBondContact O-N 3.49Å; E903-R906 PolarHBondContact O-N 3.41Å; E903-Q907 PolarHBondContact O-N 2.98Å; E903-Q907 VanDerWaalsContact O-N 3.15Å |
| 904 | Q | 40.5 | Very low | 38.1 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 81% | 0.808 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -59.2 | -17.5 | 171.7 | -68.1 | -173.9 | 17.3 | 0 | 0 | 113.5 | D900 | D900-Q904 WeakPolarHBondContact O-CG 3.5Å |
| 905 | Q | 42.2 | Very low | 37.7 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 82% | 0.822 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -104 | -8.5 | 172.8 | -63.3 | -169.9 | -5.7 | 0 | 0 | 114.1 | K902 E903 | K902-Q905 PolarHBondContact O-N 3.02Å; E903-Q905 PolarHBondContact O-N 3.49Å |
| 906 | R | 39.5 | Very low | 36.9 | Very low | 208 Ų | 208 | 144.1 Ų | 144.1 | 79% | 0.785 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -109.9 | -13.9 | -174.7 | -80.8 | -174.2 | 163.3 | -158.6 | -6.7 | 115.9 | K902 E903 K908 | K902-R906 PolarHBondContact O-N 3.49Å; E903-R906 PolarHBondContact O-N 3.41Å; R906-K908 PolarHBondContact O-N 3.46Å |
| 907 | Q | 34.7 | Very low | 36.3 | Very low | 153 Ų | 153 | 142.9 Ų | 142.9 | 72% | 0.715 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -71.3 | 25.4 | -179.3 | -70.5 | -178.2 | 2.3 | 0 | 0 | 115.5 | E903 | E903-Q907 PolarHBondContact O-N 2.98Å; E903-Q907 VanDerWaalsContact O-N 3.15Å |
| 908 | K | 35.1 | Very low | 35.7 | Very low | 187 Ų | 187 | 143.5 Ų | 143.5 | 81% | 0.813 | 69% | 0.693 | S | S | * | * | trans | -139.2 | 80.7 | 170.2 | -69.8 | -179.1 | -178.2 | 168.7 | 0 | 111 | R906 | R906-K908 PolarHBondContact O-N 3.46Š| ||
| 909 | H | 36.9 | Very low | 35.2 | Very low | 166 Ų | 166 | 145.9 Ų | 145.9 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | S | Bend | 172.7 | 104.7 | 122.9 | -93.5 | -73.8 | 0 | 0 | 0 | 113.8 | |||
| 910 | Q | 35.3 | Very low | 34.4 | Very low | 181 Ų | 181 | 151.1 Ų | 151.1 | 85% | 0.846 | 72% | 0.723 | S | S | * | * | trans | 72 | 156.8 | 147.2 | -70.3 | -176.5 | -16.6 | 0 | 0 | 121.1 | ||||
| 911 | P | 30.2 | Very low | 33.9 | Very low | 115 Ų | 115 | 153.8 Ų | 153.8 | 75% | 0.747 | 74% | 0.743 | S | S | * | * | trans | -131.2 | 175 | -144.8 | 41.7 | -24.3 | 0 | 0 | 0 | 118.3 | ||||
| 912 | H | 29 | Very low | 33.4 | Very low | 149 Ų | 149 | 154.8 Ų | 154.8 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | trans | -32.4 | 151.1 | 177.6 | -53.9 | -98.3 | 0 | 0 | 0 | 121.3 | ||||
| 913 | E | 34.6 | Very low | 33 | Very low | 149 Ų | 149 | 156.5 Ų | 156.5 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | trans | -142.6 | 141.1 | 130.7 | -84.8 | -142.8 | 125.6 | 0 | 0 | 113.3 | ||||
| 914 | K | 33.8 | Very low | 32.3 | Very low | 141 Ų | 141 | 161.3 Ų | 161.3 | 61% | 0.613 | 78% | 0.78 | S | S | * | * | trans | 59.7 | 109.1 | 148.3 | -66.6 | 162.6 | -171.3 | 152.3 | 0 | 120 | ||||
| 915 | Q | 31.6 | Very low | 31.7 | Very low | 176 Ų | 176 | 160 Ų | 160 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | 86.8 | 148.3 | 90.2 | -79.4 | 175.6 | -4.9 | 0 | 0 | 115.2 | |||||
| 916 | K | 27 | Very low | 31 | Very low | 188 Ų | 188 | 163.4 Ų | 163.4 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | cis | -168 | 167.1 | -30.5 | -144.1 | 179.2 | -176.8 | -178.7 | 0 | 108.9 | ||||
| 917 | C | 30 | Very low | 30.4 | Very low | 123 Ų | 123 | 161.3 Ų | 161.3 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | 72 | 149.2 | -175.8 | -56 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 918 | I | 28.4 | Very low | 30 | Very low | 167 Ų | 167 | 158.3 Ų | 158.3 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | cis | -115.5 | 156.3 | 17.3 | -70 | 168.5 | 0 | 0 | 0 | 111.9 | ||||
| 919 | H | 26.8 | Very low | 29.6 | Very low | 166 Ų | 166 | 158.3 Ų | 158.3 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -95.1 | -176.9 | 179.8 | -132.1 | -109.1 | 0 | 0 | 0 | 111.6 | ||||
| 920 | E | 28.3 | Very low | 29 | Very low | 175 Ų | 175 | 159.4 Ų | 159.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | 73.6 | 81 | 171.2 | -52.4 | -177.9 | 175.8 | 0 | 0 | 117.6 | ||||
| 921 | V | 29.5 | Very low | 28.7 | Very low | 149 Ų | 149 | 158 Ų | 158 | 90% | 0.903 | 78% | 0.782 | S | S | * | * | -146.4 | 114 | 98.3 | 171.7 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 922 | V | 27.6 | Very low | 28.6 | Very low | 103 Ų | 103 | 159.2 Ų | 159.2 | 62% | 0.624 | 78% | 0.782 | S | S | * | * | trans | -120.7 | 152.9 | -178.3 | 167.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 923 | D | 30.4 | Very low | 28.6 | Very low | 145 Ų | 145 | 159 Ų | 159 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | 52 | 83.6 | 168.4 | -65.2 | -23.1 | 0 | 0 | 0 | 118.7 | ||||
| 924 | K | 27.6 | Very low | 28.3 | Very low | 198 Ų | 198 | 159.9 Ų | 159.9 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -161.2 | 115.1 | 139.1 | -102.9 | 143.9 | -172.7 | 172.5 | 0 | 110.2 | ||||
| 925 | N | 27.9 | Very low | 28.1 | Very low | 145 Ų | 145 | 160.3 Ų | 160.3 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 131.4 | 24.6 | 170.9 | -65.6 | -31.5 | 0 | 0 | 0 | 115.7 | ||
| 926 | R | 27.1 | Very low | 28 | Very low | 247 Ų | 247 | 157.7 Ų | 157.7 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | trans | -118.6 | 95.3 | 149.6 | -88.3 | -171.8 | 171.3 | -168.3 | -0.8 | 109 | ||||
| 927 | L | 26.3 | Very low | 28.2 | Very low | 164 Ų | 164 | 158.6 Ų | 158.6 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | -167 | 151.7 | 157.6 | -110.3 | 165.1 | 0 | 0 | 0 | 110.6 | ||||
| 928 | S | 26.1 | Very low | 28.3 | Very low | 91 Ų | 91 | 160 Ų | 160 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | -61.1 | 146.3 | -179.7 | 43.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 929 | F | 27.5 | Very low | 28.6 | Very low | 187 Ų | 187 | 157.3 Ų | 157.3 | 82% | 0.82 | 79% | 0.788 | S | S | * | * | trans | -106.5 | 93.3 | 150.8 | -97.6 | -91.1 | 0 | 0 | 0 | 109.9 | M931 | F929-M931 HydrophobicContact CD1-CG 4.38Å; F929-M931 HydrophobicContact CD1-SD 4.43Å; F929-M931 HydrophobicContact CE1-CE 4.48Å; F929-M931 HydrophobicContact CE1-SD 4.44Å | ||
| 930 | K | 24.8 | Very low | 29.1 | Very low | 189 Ų | 189 | 156.5 Ų | 156.5 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -83.4 | 122.2 | 146.6 | -80.2 | -175.5 | 173.8 | -177.5 | 0 | 106.9 | ||||
| 931 | M | 28.9 | Very low | 29.2 | Very low | 152 Ų | 152 | 154.7 Ų | 154.7 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | -127.1 | 115.5 | 151.4 | -86 | -176.9 | 155.9 | 0 | 0 | 105.4 | F929 | F929-M931 HydrophobicContact CD1-CG 4.38Å; F929-M931 HydrophobicContact CD1-SD 4.43Å; F929-M931 HydrophobicContact CE1-CE 4.48Å; F929-M931 HydrophobicContact CE1-SD 4.44Å | ||
| 932 | N | 27.4 | Very low | 29.5 | Very low | 139 Ų | 139 | 152.5 Ų | 152.5 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | 70.1 | 71 | 77.1 | -71.2 | 16 | 0 | 0 | 0 | 111.7 | |||||
| 933 | T | 28.3 | Very low | 29.7 | Very low | 145 Ų | 145 | 154.2 Ų | 154.2 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | -101.5 | 126 | 135.8 | 39.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 934 | E | 28.1 | Very low | 29.9 | Very low | 168 Ų | 168 | 150.9 Ų | 150.9 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -80 | 145 | 175.7 | -57.3 | -179.1 | 141.9 | 0 | 0 | 109.7 | ||||
| 935 | L | 30.7 | Very low | 30.3 | Very low | 149 Ų | 149 | 148.8 Ų | 148.8 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | 166.9 | 116.5 | 117.3 | -86.4 | 160.7 | 0 | 0 | 0 | 113.2 | |||||
| 936 | N | 29.7 | Very low | 30.6 | Very low | 122 Ų | 122 | 148.7 Ų | 148.7 | 65% | 0.652 | 78% | 0.777 | S | S | * | * | trans | 67 | 118.4 | 144.4 | -87.1 | -63.3 | 0 | 0 | 0 | 123.1 | ||||
| 937 | R | 31.2 | Very low | 31 | Very low | 207 Ų | 207 | 143.1 Ų | 143.1 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | 90.8 | 110.1 | 138.9 | -62.9 | 166.8 | -175.5 | -166.8 | -2.4 | 120.4 | ||||
| 938 | N | 32.2 | Very low | 31.1 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | 33.9 | 137.3 | 120 | -40.9 | -4 | 0 | 0 | 0 | 118.4 | |||||
| 939 | S | 34.7 | Very low | 31.4 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | cis | -178.8 | -178.3 | -4.6 | 50.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 940 | I | 36.9 | Very low | 31.6 | Very low | 149 Ų | 149 | 145.9 Ų | 145.9 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | cis | -149.6 | -131.9 | 14.6 | -160.7 | 161.7 | 0 | 0 | 0 | 111.8 | ||||
| 941 | N | 31.2 | Very low | 31.7 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -121.7 | 157.8 | -168 | -42.8 | -33.9 | 0 | 0 | 0 | 114.3 | ||||
| 942 | S | 35.5 | Very low | 31.7 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 149.3 | 112.6 | 136.1 | 64.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 943 | T | 32.2 | Very low | 31.7 | Very low | 139 Ų | 139 | 146 Ų | 146 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | 60.9 | 135 | 74.4 | 62.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 944 | A | 33.4 | Very low | 31.5 | Very low | 75 Ų | 75 | 147.8 Ų | 147.8 | 62% | 0.62 | 79% | 0.789 | S | S | * | * | cis | -168 | -168.8 | -9.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 945 | D | 35.8 | Very low | 31.3 | Very low | 153 Ų | 153 | 145.2 Ų | 145.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 71.8 | 146.7 | 153.7 | -56.3 | -11.4 | 0 | 0 | 0 | 119.1 | ||||
| 946 | D | 34.3 | Very low | 31.1 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | cis | -167.6 | -178.2 | -20.7 | -150.3 | -9.7 | 0 | 0 | 0 | 112.2 | ||||
| 947 | T | 36.2 | Very low | 30.9 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 89.1 | 136.3 | 161.1 | 63.2 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 948 | E | 27.3 | Very low | 30.7 | Very low | 179 Ų | 179 | 143.1 Ų | 143.1 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -78.1 | 164.9 | -169.7 | -40.3 | 171.1 | 131.5 | 0 | 0 | 116.9 | ||||
| 949 | V | 33.3 | Very low | 30.5 | Very low | 150 Ų | 150 | 141.5 Ų | 141.5 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | -162.1 | 156.6 | 128 | 138.1 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 950 | K | 31.8 | Very low | 30.2 | Very low | 170 Ų | 170 | 145.5 Ų | 145.5 | 74% | 0.739 | 81% | 0.805 | S | S | * | * | trans | -83.1 | 157.9 | -157.3 | -67.7 | 164.7 | 179 | 165.4 | 0 | 118.4 | ||||
| 951 | N | 26.9 | Very low | 29.7 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | 58 | 119.5 | 147.8 | -58.3 | -2.7 | 0 | 0 | 0 | 118.2 | ||||
| 952 | S | 29.7 | Very low | 29.5 | Very low | 120 Ų | 120 | 149.1 Ų | 149.1 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | -165.4 | 167.8 | 63.7 | 47.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 953 | F | 25.8 | Very low | 29.2 | Very low | 209 Ų | 209 | 155.2 Ų | 155.2 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | -113.2 | 123.4 | -177.7 | -99.7 | -101.2 | 0 | 0 | 0 | 111.9 | ||||
| 954 | E | 24.6 | Very low | 28.9 | Very low | 183 Ų | 183 | 155.4 Ų | 155.4 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | trans | -177.1 | 144.8 | 134 | -107.5 | 172.8 | -171.7 | 0 | 0 | 112 | ||||
| 955 | S | 23.9 | Very low | 28.6 | Very low | 114 Ų | 114 | 159.5 Ų | 159.5 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | trans | 43.2 | 110 | 170.1 | 60.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 956 | S | 25.9 | Very low | 28.3 | Very low | 119 Ų | 119 | 157 Ų | 157 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -174.1 | 159.4 | 135.2 | 33 | 0 | 0 | 0 | 0 | 113 | ||||
| 957 | H | 26.5 | Very low | 28 | Very low | 182 Ų | 182 | 157.3 Ų | 157.3 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | -54.6 | 141.5 | -173.5 | -57.7 | -97.9 | 0 | 0 | 0 | 115.7 | ||||
| 958 | V | 27.2 | Very low | 27.6 | Very low | 134 Ų | 134 | 155.8 Ų | 155.8 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -123.1 | 127.4 | 154.5 | 176.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 959 | T | 26.7 | Very low | 27.6 | Very low | 117 Ų | 117 | 153.4 Ų | 153.4 | 72% | 0.718 | 81% | 0.812 | S | S | * | * | trans | -107 | 116.3 | 179.1 | 38.2 | 0 | 0 | 0 | 0 | 110.9 | Q961 | T959-Q961 VanDerWaalsContact C-N 3.27Å; T959-Q961 PolarHBondContact O-N 3.16Å | ||
| 960 | E | 28.4 | Very low | 27.4 | Very low | 195 Ų | 195 | 153 Ų | 153 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -82.6 | 64.9 | 176.7 | -67.8 | -151.6 | 120.2 | 0 | 0 | 113.1 | K962 | E960-K962 PolarHBondContact O-N 3.37Š| ||
| 961 | Q | 26.8 | Very low | 27.2 | Very low | 163 Ų | 163 | 153.5 Ų | 153.5 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | trans | -84.9 | 90.3 | 161.2 | -78.1 | -171.7 | -26 | 0 | 0 | 110.2 | T959 | T959-Q961 VanDerWaalsContact C-N 3.27Å; T959-Q961 PolarHBondContact O-N 3.16Å | ||
| 962 | K | 28.4 | Very low | 27.5 | Very low | 199 Ų | 199 | 151.6 Ų | 151.6 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | trans | -157.3 | 53.9 | 179.6 | -122.8 | 163.3 | -169 | 173 | 0 | 118.2 | E960 | E960-K962 PolarHBondContact O-N 3.37Š| ||
| 963 | W | 27.5 | Very low | 27.5 | Very low | 231 Ų | 231 | 153.5 Ų | 153.5 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -143.3 | 1.8 | 166.8 | -130.5 | 73.2 | 0 | 0 | 0 | 118.4 | ||
| 964 | L | 26.3 | Very low | 27.7 | Very low | 143 Ų | 143 | 148.1 Ų | 148.1 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -115.8 | -8.6 | -173.5 | -86.6 | 162.5 | 0 | 0 | 0 | 116.7 | S966 | L964-S966 VanDerWaalsContact C-N 3.33Å; L964-S966 PolarHBondContact O-N 2.96Å |
| 965 | N | 27.8 | Very low | 28.1 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 42.8 | -178.1 | -72.1 | 0.6 | 0 | 0 | 0 | 113.4 | ||
| 966 | S | 28.9 | Very low | 28.5 | Very low | 101 Ų | 101 | 147.3 Ų | 147.3 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.6 | 14.6 | -176.2 | 62.7 | 0 | 0 | 0 | 0 | 116.4 | L964 | L964-S966 VanDerWaalsContact C-N 3.33Å; L964-S966 PolarHBondContact O-N 2.96Å |
| 967 | I | 28.4 | Very low | 28.9 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -129.7 | 92.4 | 163 | -53.1 | -180 | 0 | 0 | 0 | 109 | M990 | I967-M990 HydrophobicContact CD1-CE 4.47Š| ||
| 968 | S | 26.8 | Very low | 29.2 | Very low | 98 Ų | 98 | 148.3 Ų | 148.3 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | trans | -142.6 | 152.3 | 168.7 | 62.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 969 | T | 27.9 | Very low | 29.4 | Very low | 129 Ų | 129 | 147.1 Ų | 147.1 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 58.5 | 91.5 | 176.7 | 59 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 970 | T | 30.3 | Very low | 29.6 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | trans | -158.7 | 119.4 | 136 | 1.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 971 | H | 27.6 | Very low | 29.8 | Very low | 180 Ų | 180 | 142.5 Ų | 142.5 | 83% | 0.833 | 77% | 0.772 | S | S | * | * | trans | -88.8 | 134.1 | 172 | -83 | -91.5 | 0 | 0 | 0 | 110.2 | ||||
| 972 | P | 31.7 | Very low | 30.2 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | -109.7 | 101.7 | 162.2 | 32.6 | -21.3 | 0 | 0 | 0 | 111.3 | ||||
| 973 | N | 30.3 | Very low | 30.2 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | -94.6 | 79 | 169.4 | -84.7 | -8.6 | 0 | 0 | 0 | 110.5 | ||||
| 974 | S | 30.2 | Very low | 30.3 | Very low | 96 Ų | 96 | 134.1 Ų | 134.1 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | trans | -166.6 | 110 | 167.7 | 53.9 | 0 | 0 | 0 | 0 | 112 | D976 | S974-D976 PolarHBondContact O-N 2.84Š| ||
| 975 | P | 32.7 | Very low | 30.5 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | trans | -92.2 | 84.7 | 174.2 | 35 | -30.6 | 0 | 0 | 0 | 111.1 | ||||
| 976 | D | 32.3 | Very low | 30.7 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 80% | 0.802 | 73% | 0.73 | S | S | * | * | trans | -164.9 | 113.2 | 163.6 | -106.2 | -32.5 | 0 | 0 | 0 | 111 | S974 | S974-D976 PolarHBondContact O-N 2.84Š| ||
| 977 | V | 34.6 | Very low | 30.9 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 85% | 0.848 | 73% | 0.726 | S | S | * | * | trans | 176.2 | 139.3 | 148.2 | 145.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 978 | Q | 33.3 | Very low | 31 | Very low | 183 Ų | 183 | 130.2 Ų | 130.2 | 86% | 0.855 | 71% | 0.709 | S | S | * | * | trans | -99.5 | 94.7 | -169.9 | -63.8 | 167.6 | -7.6 | 0 | 0 | 112 | ||||
| 979 | N | 30 | Very low | 31.2 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 58% | 0.578 | 71% | 0.709 | S | S | * | * | trans | -170.8 | 106.7 | 152 | -109.5 | -17.4 | 0 | 0 | 0 | 112.3 | N981 | N979-N981 VanDerWaalsContact C-N 3.3Å; N979-N981 PolarHBondContact O-N 3.3Å | ||
| 980 | P | 31.4 | Very low | 31.3 | Very low | 96 Ų | 96 | 129 Ų | 129 | 62% | 0.623 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -68 | -25.9 | 177.9 | -22.3 | 34.5 | 0 | 0 | 0 | 114.6 | E982 | P980-E982 PolarHBondContact O-N 3.24Š|
| 981 | N | 32.9 | Very low | 31.4 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -25.1 | -160.4 | -66.3 | 0.3 | 0 | 0 | 0 | 114.6 | N979 F985 | N979-N981 VanDerWaalsContact C-N 3.3Å; N979-N981 PolarHBondContact O-N 3.3Å; N981-F985 WeakPolarHBondContact O-CD2 3.41Å |
| 982 | E | 35.2 | Very low | 31.9 | Very low | 149 Ų | 149 | 126.9 Ų | 126.9 | 70% | 0.696 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -33 | -173.2 | -65.1 | -173.4 | 145.8 | 0 | 0 | 113.2 | P980 F984 F985 | P980-E982 PolarHBondContact O-N 3.24Å; E982-F984 VanDerWaalsContact C-N 3.3Å; E982-F984 PolarHBondContact O-N 3.3Å; E982-F985 PolarHBondContact O-N 3.42Å |
| 983 | M | 28.3 | Very low | 32.3 | Very low | 156 Ų | 156 | 126.4 Ų | 126.4 | 77% | 0.768 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -64.4 | -31.9 | 178.3 | -77.6 | -170.2 | 71.7 | 0 | 0 | 113.2 | F985 S986 | M983-F985 VanDerWaalsContact C-N 3.34Å; M983-F985 PolarHBondContact O-N 3.38Å; M983-S986 PolarHBondContact O-N 2.92Å; M983-S986 PolarHBondContact O-OG 2.95Å |
| 984 | F | 29.9 | Very low | 33.2 | Very low | 113 Ų | 113 | 121.9 Ų | 121.9 | 50% | 0.496 | 65% | 0.654 | S | S | . | * | G | 310 helix | trans | -67.8 | -28.1 | -176.9 | -88.7 | -85.1 | 0 | 0 | 0 | 114.3 | F819 E982 S986 | F819-F984 HydrophobicContact CZ-CE1 4.33Å; E982-F984 VanDerWaalsContact C-N 3.3Å; E982-F984 PolarHBondContact O-N 3.3Å; F984-S986 VanDerWaalsContact C-N 3.29Å; F984-S986 PolarHBondContact O-N 2.9Å |
| 985 | F | 30.9 | Very low | 34.3 | Very low | 165 Ų | 165 | 122.2 Ų | 122.2 | 72% | 0.724 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -68.3 | -26.8 | -179.9 | -85.3 | -82.6 | 0 | 0 | 0 | 113.4 | N981 E982 M983 | N981-F985 WeakPolarHBondContact O-CD2 3.41Å; E982-F985 PolarHBondContact O-N 3.42Å; M983-F985 VanDerWaalsContact C-N 3.34Å; M983-F985 PolarHBondContact O-N 3.38Å |
| 986 | S | 31.5 | Very low | 35.9 | Very low | 78 Ų | 78 | 121.5 Ų | 121.5 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | G | 310 helix | trans | -80.6 | -16.7 | -177.4 | 68 | 0 | 0 | 0 | 0 | 115.1 | M983 F984 S989 | M983-S986 PolarHBondContact O-N 2.92Å; M983-S986 PolarHBondContact O-OG 2.95Å; F984-S986 VanDerWaalsContact C-N 3.29Å; F984-S986 PolarHBondContact O-N 2.9Å; S986-S989 PolarHBondContact O-OG 2.89Å |
| 987 | H | 32.1 | Very low | 37.7 | Very low | 133 Ų | 133 | 119 Ų | 119 | 62% | 0.616 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -27.8 | -173 | -116.5 | 42.5 | 0 | 0 | 0 | 113.7 | S989 | H987-S989 PolarHBondContact O-N 3.33Š|
| 988 | F | 31.8 | Very low | 39.7 | Very low | 97 Ų | 97 | 117.6 Ų | 117.6 | 43% | 0.425 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.2 | -6.5 | -176.5 | -87.9 | -80.3 | 0 | 0 | 0 | 115 | F819 M990 | F819-F988 HydrophobicContact CD1-CE2 4.41Å; F819-F988 AromaticContact CD1-CZ 3.67Å; F819-F988 HydrophobicContact CD1-CZ 3.67Å; F819-F988 AromaticContact CE1-CE2 3.81Å; F819-F988 HydrophobicContact CE1-CE2 3.81Å; F819-F988 AromaticContact CE1-CZ 3.5Å; F819-F988 HydrophobicContact CE1-CZ 3.5Å; F819-F988 VanDerWaalsContact CE1-CZ 3.5Å; F819-F988 HydrophobicContact CG-CZ 4.47Å; F819-F988 HydrophobicContact CZ-CE2 4.09Å; F819-F988 HydrophobicContact CZ-CZ 4.16Å; F988-M990 VanDerWaalsContact C-N 3.32Å |
| 989 | S | 30.9 | Very low | 41.7 | Very low | 96 Ų | 96 | 114.2 Ų | 114.2 | 67% | 0.671 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -7.5 | 174.2 | 47.7 | 0 | 0 | 0 | 0 | 114.3 | S986 H987 I991 | S986-S989 PolarHBondContact O-OG 2.89Å; H987-S989 PolarHBondContact O-N 3.33Å; S989-I991 PolarHBondContact O-N 2.82Å |
| 990 | M | 29.5 | Very low | 43.8 | Very low | 106 Ų | 106 | 114.1 Ų | 114.1 | 52% | 0.522 | 59% | 0.589 | S | S | . | * | trans | -77.3 | 110.2 | 169.7 | -90.2 | -167.4 | 151 | 0 | 0 | 110.7 | I967 F988 Y992 | I967-M990 HydrophobicContact CD1-CE 4.47Å; F988-M990 VanDerWaalsContact C-N 3.32Å; M990-Y992 HydrophobicContact CB-CD2 4.03Å; M990-Y992 HydrophobicContact CB-CE2 3.65Å; M990-Y992 WeakPolarHBondContact O-CD2 3.31Å; M990-Y992 PolarHBondContact O-N 2.81Å; M990-Y992 VanDerWaalsContact O-N 3.09Å; M990-Y992 HydrophobicContact SD-CE2 4.5Å | ||
| 991 | I | 31.4 | Very low | 45.7 | Very low | 160 Ų | 160 | 113 Ų | 113 | 82% | 0.821 | 58% | 0.576 | S | S | * | * | trans | -72.9 | 96.4 | 166.6 | -57.2 | 173.3 | 0 | 0 | 0 | 107.3 | S989 P993 | S989-I991 PolarHBondContact O-N 2.82Å; I991-P993 VanDerWaalsContact O-CD 3.26Å; I991-P993 WeakPolarHBondContact O-CD 3.48Å | ||
| 992 | Y | 39.5 | Very low | 47.4 | Very low | 117 Ų | 117 | 108 Ų | 108 | 46% | 0.459 | 55% | 0.551 | S | S | . | * | trans | -73.2 | 112.1 | 169.1 | -74.7 | -94.7 | 0 | 0 | 0 | 109 | E815 M990 | E815-Y992 WeakPolarHBondContact OE2-CD1 3.36Å; E815-Y992 WeakPolarHBondContact OE2-CE1 3.49Å; M990-Y992 HydrophobicContact CB-CD2 4.03Å; M990-Y992 HydrophobicContact CB-CE2 3.65Å; M990-Y992 WeakPolarHBondContact O-CD2 3.31Å; M990-Y992 PolarHBondContact O-N 2.81Å; M990-Y992 VanDerWaalsContact O-N 3.09Å; M990-Y992 HydrophobicContact SD-CE2 4.5Å | ||
| 993 | P | 40 | Very low | 49 | Very low | 102 Ų | 102 | 105.7 Ų | 105.7 | 66% | 0.662 | 55% | 0.549 | S | S | * | . | trans | -74.1 | 136.6 | -178.8 | 31 | -34.1 | 0 | 0 | 0 | 110.7 | I991 T995 | I991-P993 VanDerWaalsContact O-CD 3.26Å; I991-P993 WeakPolarHBondContact O-CD 3.48Å; P993-T995 PolarHBondContact O-N 2.84Å | ||
| 994 | S | 48.2 | Very low | 50.9 | Low | 67 Ų | 67 | 104.6 Ų | 104.6 | 47% | 0.469 | 55% | 0.546 | S | S | . | . | trans | -65.5 | 99.5 | 172.9 | -52.1 | 0 | 0 | 0 | 0 | 110.2 | I996 | S994-I996 PolarHBondContact O-N 3.33Š| ||
| 995 | T | 54.2 | Low | 52.7 | Low | 103 Ų | 103 | 103.8 Ų | 103.8 | 63% | 0.632 | 55% | 0.546 | S | S | * | . | trans | -70.9 | 113.1 | -178.6 | 53.9 | 0 | 0 | 0 | 0 | 111.2 | P993 | P993-T995 PolarHBondContact O-N 2.84Š| ||
| 996 | I | 66.1 | Low | 54.7 | Low | 113 Ų | 113 | 97.1 Ų | 97.1 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 135 | 165.3 | -60.4 | 174.2 | 0 | 0 | 0 | 107.6 | V809 T810 S994 I998 | V809-I996 HydrophobicContact CG1-CG2 3.55Å; T810-I996 WeakPolarHBondContact O-CA 3.48Å; T810-I996 WeakPolarHBondContact O-CG2 3.33Å; S994-I996 PolarHBondContact O-N 3.33Å; I996-I998 HydrophobicContact CG2-CG1 4.38Å |
| 997 | Q | 70.1 | Confident | 57.1 | Low | 97 Ų | 97 | 95.2 Ų | 95.2 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 144 | 172.8 | -43.7 | 174.7 | -45.1 | 0 | 0 | 109.3 | V809 T810 Y999 | V809-Q997 WeakPolarHBondContact CA-O 3.49Å; T810-Q997 PolarHBondContact N-O 2.87Å; T810-Q997 PolarHBondContact O-N 3.25Å; T810-Q997 WeakPolarHBondContact OG1-CB 3.49Å; T810-Q997 PolarHBondContact OG1-OE1 3.06Å; Q997-Y999 HydrophobicContact CB-CE2 3.81Å; Q997-Y999 PolarHBondContact OE1-OH 2.7Å |
| 998 | I | 76.7 | Confident | 59.4 | Low | 112 Ų | 112 | 95.1 Ų | 95.1 | 57% | 0.574 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 128 | 178.4 | -53.1 | -179.7 | 0 | 0 | 0 | 108.1 | L807 I808 V809 I996 | L807-I998 HydrophobicContact CB-CG2 4.05Å; L807-I998 HydrophobicContact CD1-CG2 4.19Å; I808-I998 CarbonylContact O-C 3.52Å; I808-I998 WeakPolarHBondContact O-CA 3.5Å; V809-I998 HydrophobicContact CG1-CG1 4.49Å; V809-I998 HydrophobicContact CG2-CG1 4.33Å; V809-I998 HydrophobicContact CG2-CG2 4.49Å; I996-I998 HydrophobicContact CG2-CG1 4.38Å |
| 999 | Y | 75.5 | Confident | 61.9 | Low | 112 Ų | 112 | 97 Ų | 97 | 44% | 0.439 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133 | 178.6 | -57.2 | -99.2 | 0 | 0 | 0 | 109.2 | L807 I808 T810 Q997 | L807-Y999 CarbonylContact C-O 3.58Å; L807-Y999 VanDerWaalsContact CA-O 3.28Å; L807-Y999 WeakPolarHBondContact CA-O 3.4Å; I808-Y999 PolarHBondContact N-O 3.34Å; I808-Y999 PolarHBondContact O-N 3.43Å; T810-Y999 HydrophobicContact CG2-CD2 4.09Å; T810-Y999 HydrophobicContact CG2-CE2 3.72Å; Q997-Y999 HydrophobicContact CB-CE2 3.81Å; Q997-Y999 PolarHBondContact OE1-OH 2.7Å |
| 1000 | D | 74 | Confident | 64.6 | Low | 106 Ų | 106 | 92.4 Ų | 92.4 | 57% | 0.567 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 121.5 | 170.8 | -173.5 | -10.5 | 0 | 0 | 0 | 109.9 | L807 S1002 P1003 | L807-D1000 HydrophobicContact CD2-CB 4.06Å; D1000-S1002 VanDerWaalsContact OD1-CB 3.3Å; D1000-S1002 WeakPolarHBondContact OD1-CB 3.18Å; D1000-S1002 PolarHBondContact OD1-N 3.02Å; D1000-S1002 PolarHBondContact OD1-OG 2.94Å; D1000-S1002 VanDerWaalsContact OD1-OG 3.13Å; D1000-P1003 WeakPolarHBondContact OD1-CD 3.29Å |
| 1001 | M | 71.5 | Confident | 67.3 | Low | 71 Ų | 71 | 87.5 Ų | 87.5 | 35% | 0.35 | 45% | 0.447 | S | S | . | . | trans | -124.7 | 12 | 174.3 | -58.7 | -82.6 | -90.4 | 0 | 0 | 111.6 | G806 I808 P1003 L1004 | G806-M1001 CarbonylContact O-C 3.47Å; G806-M1001 VanDerWaalsContact O-CA 3.31Å; G806-M1001 WeakPolarHBondContact O-CA 3.26Å; G806-M1001 VanDerWaalsContact O-CB 3.27Å; G806-M1001 WeakPolarHBondContact O-CB 3.32Å; G806-M1001 PolarHBondContact O-N 3.45Å; I808-M1001 HydrophobicContact CD1-CE 3.85Å; I808-M1001 HydrophobicContact CD1-CG 3.69Å; I808-M1001 HydrophobicContact CD1-SD 4.45Å; I808-M1001 HydrophobicContact CG1-CG 3.9Å; M1001-P1003 VanDerWaalsContact C-N 3.29Å; M1001-L1004 HydrophobicContact CB-CD1 4.31Å; M1001-L1004 HydrophobicContact CE-CD1 3.47Å; M1001-L1004 VanDerWaalsContact CE-CD1 3.47Å; M1001-L1004 WeakPolarHBondContact O-CB 3.5Å; M1001-L1004 PolarHBondContact O-N 2.98Å; M1001-L1004 HydrophobicContact SD-CD1 3.8Å | ||
| 1002 | S | 68.3 | Low | 69.9 | Low | 15 Ų | 15 | 84.6 Ų | 84.6 | 11% | 0.105 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -52.8 | -38.5 | 174.4 | -53.8 | 0 | 0 | 0 | 0 | 113.1 | N805 G806 D1000 L1004 I1005 W1006 | N805-S1002 PolarHBondContact O-OG 3.29Å; G806-S1002 PolarHBondContact O-N 3.11Å; D1000-S1002 VanDerWaalsContact OD1-CB 3.3Å; D1000-S1002 WeakPolarHBondContact OD1-CB 3.18Å; D1000-S1002 PolarHBondContact OD1-N 3.02Å; D1000-S1002 PolarHBondContact OD1-OG 2.94Å; D1000-S1002 VanDerWaalsContact OD1-OG 3.13Å; S1002-L1004 PolarHBondContact O-N 3.33Å; S1002-I1005 PolarHBondContact O-N 3.18Å; S1002-W1006 PolarHBondContact O-N 3.45Å |
| 1003 | P | 69.5 | Low | 72.3 | Confident | 100 Ų | 100 | 82.4 Ų | 82.4 | 65% | 0.649 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -63.9 | -8 | 176.5 | -23.8 | 35.6 | 0 | 0 | 0 | 116 | D1000 M1001 | D1000-P1003 WeakPolarHBondContact OD1-CD 3.29Å; M1001-P1003 VanDerWaalsContact C-N 3.29Å |
| 1004 | L | 66.9 | Low | 74.7 | Confident | 134 Ų | 134 | 78.1 Ų | 78.1 | 70% | 0.702 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -90.6 | -8.8 | 172.8 | -60.6 | 179.7 | 0 | 0 | 0 | 113.2 | M1001 S1002 | M1001-L1004 HydrophobicContact CB-CD1 4.31Å; M1001-L1004 HydrophobicContact CE-CD1 3.47Å; M1001-L1004 VanDerWaalsContact CE-CD1 3.47Å; M1001-L1004 WeakPolarHBondContact O-CB 3.5Å; M1001-L1004 PolarHBondContact O-N 2.98Å; M1001-L1004 HydrophobicContact SD-CD1 3.8Å; S1002-L1004 PolarHBondContact O-N 3.33Å |
| 1005 | I | 68.2 | Low | 76.8 | Confident | 96 Ų | 96 | 76.3 Ų | 76.3 | 49% | 0.492 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -38.2 | -171 | -58.8 | 171.3 | 0 | 0 | 0 | 111.2 | S1002 | S1002-I1005 PolarHBondContact O-N 3.18Š|
| 1006 | W | 73.7 | Confident | 78.5 | Confident | 24 Ų | 24 | 72.3 Ų | 72.3 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | trans | -154.1 | 156.4 | -178.6 | 58.6 | -73.4 | 0 | 0 | 0 | 110.6 | S1002 R1008 M1011 L1243 | S1002-W1006 PolarHBondContact O-N 3.45Å; W1006-R1008 HydrophobicContact CE3-CB 4.14Å; W1006-R1008 HydrophobicContact CH2-CB 3.67Å; W1006-R1008 HydrophobicContact CH2-CG 3.57Å; W1006-R1008 HydrophobicContact CZ2-CB 4.47Å; W1006-R1008 HydrophobicContact CZ3-CB 3.5Å; W1006-R1008 HydrophobicContact CZ3-CG 3.62Å; W1006-M1011 HydrophobicContact CE3-CB 4.21Å; W1006-M1011 HydrophobicContact CE3-SD 4.05Å; W1006-M1011 HydrophobicContact CH2-CE 4.3Å; W1006-M1011 HydrophobicContact CH2-SD 4.27Å; W1006-M1011 HydrophobicContact CZ3-CB 4.02Å; W1006-M1011 HydrophobicContact CZ3-CE 3.82Å; W1006-M1011 HydrophobicContact CZ3-CG 4.34Å; W1006-M1011 HydrophobicContact CZ3-SD 3.47Å; W1006-M1011 WeakPolarHBondContact CZ3-SD 3.16Å; W1006-L1243 HydrophobicContact CD2-CD1 4.5Å; W1006-L1243 HydrophobicContact CE3-CD1 4.3Å; W1006-L1243 HydrophobicContact CH2-CD1 3.26Å; W1006-L1243 HydrophobicContact CH2-CD2 3.78Å; W1006-L1243 HydrophobicContact CH2-CG 4.15Å; W1006-L1243 HydrophobicContact CZ2-CD1 3.5Å; W1006-L1243 HydrophobicContact CZ2-CD2 3.52Å; W1006-L1243 HydrophobicContact CZ2-CG 4.15Å; W1006-L1243 HydrophobicContact CZ3-CD1 3.67Å | ||
| 1007 | D | 80.6 | Confident | 79.4 | Confident | 38 Ų | 38 | 70.4 Ų | 70.4 | 20% | 0.203 | 35% | 0.346 | C | S | . | . | trans | -94.9 | 115 | 174.2 | -171.9 | -29.8 | 0 | 0 | 0 | 110 | H1009 L1010 M1011 T1035 Q1091 | D1007-H1009 VanDerWaalsContact C-N 3.33Å; D1007-H1009 PolarHBondContact O-N 2.76Å; D1007-H1009 WeakPolarHBondContact OD1-CB 3.45Å; D1007-H1009 IonicContact OD1-CD2 3.98Å; D1007-H1009 PolarHBondContact OD1-N 3.42Å; D1007-L1010 HydrophobicContact CB-CB 4.07Å; D1007-L1010 HydrophobicContact CB-CD1 3.95Å; D1007-L1010 HydrophobicContact CB-CG 4Å; D1007-L1010 PolarHBondContact OD1-N 2.92Å; D1007-M1011 PolarHBondContact O-N 2.93Å; D1007-M1011 VanDerWaalsContact O-N 3.16Å; D1007-T1035 WeakPolarHBondContact OD2-CG2 3.44Å; D1007-Q1091 PolarHBondContact O-NE2 3.37Å | ||
| 1008 | R | 80.8 | Confident | 79.9 | Confident | 132 Ų | 132 | 66.2 Ų | 66.2 | 50% | 0.498 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.3 | -27.8 | -179.1 | -174 | 166.4 | -169.9 | 171.7 | 3 | 113.4 | W1006 Y1012 | W1006-R1008 HydrophobicContact CE3-CB 4.14Å; W1006-R1008 HydrophobicContact CH2-CB 3.67Å; W1006-R1008 HydrophobicContact CH2-CG 3.57Å; W1006-R1008 HydrophobicContact CZ2-CB 4.47Å; W1006-R1008 HydrophobicContact CZ3-CB 3.5Å; W1006-R1008 HydrophobicContact CZ3-CG 3.62Å; R1008-Y1012 HydrophobicContact CG-CD2 4.39Å; R1008-Y1012 HydrophobicContact CG-CE2 3.82Å; R1008-Y1012 PolarHBondContact NH2-OH 3.16Å; R1008-Y1012 VanDerWaalsContact NH2-OH 3.17Å; R1008-Y1012 WeakPolarHBondContact O-CD2 3.26Å |
| 1009 | H | 83.8 | Confident | 80.1 | Confident | 135 Ų | 135 | 67.6 Ų | 67.6 | 63% | 0.625 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -72.1 | -50.2 | 176.1 | -64.2 | -82.6 | 0 | 0 | 0 | 110 | D1007 M1011 Y1012 D1013 | D1007-H1009 VanDerWaalsContact C-N 3.33Å; D1007-H1009 PolarHBondContact O-N 2.76Å; D1007-H1009 WeakPolarHBondContact OD1-CB 3.45Å; D1007-H1009 IonicContact OD1-CD2 3.98Å; D1007-H1009 PolarHBondContact OD1-N 3.42Å; H1009-M1011 PolarHBondContact O-N 3.22Å; H1009-M1011 VanDerWaalsContact O-N 3.11Å; H1009-Y1012 PolarHBondContact O-N 3.14Å; H1009-D1013 WeakPolarHBondContact O-CB 3.47Å; H1009-D1013 PolarHBondContact O-N 3.4Å |
| 1010 | L | 87.4 | Confident | 80.5 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.5 | -29.7 | 175.5 | -66 | -178.2 | 0 | 0 | 0 | 113.5 | D1007 Y1012 Y1014 A1031 V1032 T1035 L1040 | D1007-L1010 HydrophobicContact CB-CB 4.07Å; D1007-L1010 HydrophobicContact CB-CD1 3.95Å; D1007-L1010 HydrophobicContact CB-CG 4Å; D1007-L1010 PolarHBondContact OD1-N 2.92Å; L1010-Y1012 VanDerWaalsContact C-N 3.35Å; L1010-Y1012 PolarHBondContact O-N 2.88Å; L1010-Y1014 HydrophobicContact CB-CD2 4.2Å; L1010-Y1014 HydrophobicContact CB-CE2 4.01Å; L1010-Y1014 HydrophobicContact CD1-CE2 4.48Å; L1010-Y1014 HydrophobicContact CD2-CE1 4.16Å; L1010-Y1014 VanDerWaalsContact O-CB 3.25Å; L1010-Y1014 WeakPolarHBondContact O-CB 3.37Å; L1010-Y1014 WeakPolarHBondContact O-CD2 3.46Å; L1010-Y1014 PolarHBondContact O-N 3.03Å; L1010-A1031 HydrophobicContact CD2-CB 4.42Å; L1010-V1032 HydrophobicContact CD1-CG2 4.27Å; L1010-V1032 HydrophobicContact CD2-CB 4.48Å; L1010-V1032 HydrophobicContact CD2-CG2 3.66Å; L1010-T1035 HydrophobicContact CD1-CG2 4.13Å; L1010-T1035 HydrophobicContact CD2-CG2 3.66Å; L1010-T1035 HydrophobicContact CG-CG2 3.79Å; L1010-L1040 HydrophobicContact CD1-CD1 3.75Å |
| 1011 | M | 86.7 | Confident | 81.2 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 176.9 | -172.6 | -173.8 | 73.9 | 0 | 0 | 112.5 | W1006 D1007 H1009 I1240 L1243 E1245 L1248 | W1006-M1011 HydrophobicContact CE3-CB 4.21Å; W1006-M1011 HydrophobicContact CE3-SD 4.05Å; W1006-M1011 HydrophobicContact CH2-CE 4.3Å; W1006-M1011 HydrophobicContact CH2-SD 4.27Å; W1006-M1011 HydrophobicContact CZ3-CB 4.02Å; W1006-M1011 HydrophobicContact CZ3-CE 3.82Å; W1006-M1011 HydrophobicContact CZ3-CG 4.34Å; W1006-M1011 HydrophobicContact CZ3-SD 3.47Å; W1006-M1011 WeakPolarHBondContact CZ3-SD 3.16Å; D1007-M1011 PolarHBondContact O-N 2.93Å; D1007-M1011 VanDerWaalsContact O-N 3.16Å; H1009-M1011 PolarHBondContact O-N 3.22Å; H1009-M1011 VanDerWaalsContact O-N 3.11Å; M1011-I1240 HydrophobicContact CG-CG1 4.46Å; M1011-I1240 HydrophobicContact SD-CG1 4.01Å; M1011-L1243 HydrophobicContact CE-CD1 4.21Å; M1011-L1243 HydrophobicContact SD-CD1 3.71Å; M1011-E1245 HydrophobicContact CE-CG 3.93Å; M1011-L1248 HydrophobicContact CE-CD2 4.33Å; M1011-L1248 HydrophobicContact CG-CD2 3.46Å; M1011-L1248 VanDerWaalsContact CG-CD2 3.46Å; M1011-L1248 VanDerWaalsContact O-CD2 3.29Å; M1011-L1248 WeakPolarHBondContact O-CD2 3.49Å; M1011-L1248 HydrophobicContact SD-CD2 4.11Å |
| 1012 | Y | 86.2 | Confident | 81.9 | Confident | 99 Ų | 99 | 61.4 Ų | 61.4 | 39% | 0.388 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -88.2 | -35 | 177.5 | -61.8 | -75.1 | 0 | 0 | 0 | 112.7 | R1008 H1009 L1010 E1245 | R1008-Y1012 HydrophobicContact CG-CD2 4.39Å; R1008-Y1012 HydrophobicContact CG-CE2 3.82Å; R1008-Y1012 PolarHBondContact NH2-OH 3.16Å; R1008-Y1012 VanDerWaalsContact NH2-OH 3.17Å; R1008-Y1012 WeakPolarHBondContact O-CD2 3.26Å; H1009-Y1012 PolarHBondContact O-N 3.14Å; L1010-Y1012 VanDerWaalsContact C-N 3.35Å; L1010-Y1012 PolarHBondContact O-N 2.88Å; Y1012-E1245 VanDerWaalsContact CE1-CD 3.48Å; Y1012-E1245 HydrophobicContact CE1-CG 4.1Å; Y1012-E1245 VanDerWaalsContact CE1-OE1 3.23Å; Y1012-E1245 WeakPolarHBondContact CE1-OE1 3.5Å; Y1012-E1245 VanDerWaalsContact CZ-OE1 3.31Å; Y1012-E1245 PolarHBondContact OH-OE1 3.09Å |
| 1013 | D | 89.2 | Confident | 82.9 | Confident | 71 Ų | 71 | 66.1 Ų | 66.1 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -77 | -20.7 | -174.9 | -66.4 | -26.9 | 0 | 0 | 0 | 113 | H1009 S1015 H1027 A1031 | H1009-D1013 WeakPolarHBondContact O-CB 3.47Å; H1009-D1013 PolarHBondContact O-N 3.4Å; D1013-S1015 PolarHBondContact O-N 3.45Å; D1013-H1027 PolarHBondContact O-CD2 3.08Å; D1013-H1027 PolarHBondContact O-NE2 3.48Å; D1013-A1031 HydrophobicContact CB-CB 3.77Å |
| 1014 | Y | 91.8 | Very high | 84 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 5% | 0.047 | 30% | 0.295 | C | S | . | . | trans | -71.8 | 126.7 | 178 | -82 | -29.2 | 0 | 0 | 0 | 113.7 | L1010 N1028 A1031 V1032 W1044 Q1091 M1095 | L1010-Y1014 HydrophobicContact CB-CD2 4.2Å; L1010-Y1014 HydrophobicContact CB-CE2 4.01Å; L1010-Y1014 HydrophobicContact CD1-CE2 4.48Å; L1010-Y1014 HydrophobicContact CD2-CE1 4.16Å; L1010-Y1014 VanDerWaalsContact O-CB 3.25Å; L1010-Y1014 WeakPolarHBondContact O-CB 3.37Å; L1010-Y1014 WeakPolarHBondContact O-CD2 3.46Å; L1010-Y1014 PolarHBondContact O-N 3.03Å; Y1014-N1028 WeakPolarHBondContact CA-OD1 3.26Å; Y1014-N1028 HydrophobicContact CD1-CB 3.73Å; Y1014-N1028 HydrophobicContact CE1-CB 3.84Å; Y1014-A1031 HydrophobicContact CD1-CB 4.46Å; Y1014-V1032 HydrophobicContact CE1-CG2 3.7Å; Y1014-V1032 WeakPolarHBondContact OH-CG2 3.2Å; Y1014-W1044 HydrophobicContact CD1-CZ2 4.48Å; Y1014-W1044 AromaticContact CE1-CE2 3.93Å; Y1014-W1044 AromaticContact CE1-CZ2 3.92Å; Y1014-W1044 HydrophobicContact CE1-CZ2 3.92Å; Y1014-W1044 AromaticContact CE1-NE1 3.55Å; Y1014-W1044 AromaticContact CZ-NE1 3.7Å; Y1014-W1044 PolarHBondContact OH-NE1 3.14Å; Y1014-W1044 VanDerWaalsContact OH-NE1 3.16Å; Y1014-Q1091 HydrophobicContact CE2-CG 4.43Å; Y1014-M1095 HydrophobicContact CD2-CE 4.14Å; Y1014-M1095 HydrophobicContact CD2-CG 3.78Å; Y1014-M1095 HydrophobicContact CD2-SD 4.02Å; Y1014-M1095 HydrophobicContact CE2-CG 3.71Å; Y1014-M1095 HydrophobicContact CG-CE 4.04Å; Y1014-M1095 HydrophobicContact CG-SD 4.46Å | ||
| 1015 | S | 91.2 | Very high | 85.2 | Confident | 30 Ų | 30 | 55 Ų | 55 | 21% | 0.21 | 26% | 0.261 | C | S | . | . | trans | -72.7 | 129.2 | 163.3 | -179.3 | 0 | 0 | 0 | 0 | 110.5 | D1013 N1017 M1024 N1028 M1095 | D1013-S1015 PolarHBondContact O-N 3.45Å; S1015-N1017 PolarHBondContact OG-N 2.87Å; S1015-M1024 WeakPolarHBondContact O-CG 3.2Å; S1015-N1028 PolarHBondContact N-OD1 2.86Å; S1015-N1028 PolarHBondContact O-ND2 3.05Å; S1015-M1095 WeakPolarHBondContact O-CE 3.29Å | ||
| 1016 | L | 89.6 | Confident | 86.3 | Confident | 19 Ų | 19 | 54.4 Ų | 54.4 | 10% | 0.099 | 26% | 0.258 | C | S | . | . | trans | -102.4 | 12.8 | 174.3 | -60.1 | 175 | 0 | 0 | 0 | 112.4 | T1018 M1095 L1098 L1248 R1251 L1252 S1255 | L1016-T1018 PolarHBondContact O-N 3.35Å; L1016-M1095 HydrophobicContact CD2-CE 3.99Å; L1016-M1095 HydrophobicContact CD2-SD 3.57Å; L1016-M1095 VanDerWaalsContact CD2-SD 3.57Å; L1016-L1098 HydrophobicContact CD2-CD1 3.99Å; L1016-L1248 HydrophobicContact CD1-CD1 3.72Å; L1016-R1251 HydrophobicContact CD1-CB 3.96Å; L1016-L1252 HydrophobicContact CD1-CB 4.23Å; L1016-L1252 HydrophobicContact CD2-CD1 4.36Å; L1016-S1255 WeakPolarHBondContact O-CB 3.26Å; L1016-S1255 PolarHBondContact O-OG 3.49Å | ||
| 1017 | N | 85 | Confident | 87.3 | Confident | 72 Ų | 72 | 57.5 Ų | 57.5 | 39% | 0.385 | 27% | 0.273 | S | S | . | . | trans | -79.6 | 102.4 | -175.7 | -172 | 0.9 | 0 | 0 | 0 | 112 | S1015 E1019 M1024 | S1015-N1017 PolarHBondContact OG-N 2.87Å; N1017-E1019 VanDerWaalsContact C-N 3.32Å; N1017-E1019 PolarHBondContact O-N 3.25Å; N1017-E1019 VanDerWaalsContact OD1-CB 3.25Å; N1017-E1019 WeakPolarHBondContact OD1-CB 3.28Å; N1017-E1019 VanDerWaalsContact OD1-CG 3.3Å; N1017-E1019 WeakPolarHBondContact OD1-CG 3.44Å; N1017-E1019 PolarHBondContact OD1-N 3.09Å; N1017-M1024 WeakPolarHBondContact O-CB 3.48Å | ||
| 1018 | T | 82 | Confident | 87.9 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 6% | 0.055 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -2.7 | 178.9 | 54.4 | 0 | 0 | 0 | 0 | 114.6 | L1016 M1024 L1098 N1259 | L1016-T1018 PolarHBondContact O-N 3.35Å; T1018-M1024 HydrophobicContact CG2-SD 4.48Å; T1018-L1098 HydrophobicContact CG2-CB 4.27Å; T1018-L1098 HydrophobicContact CG2-CD2 4.26Å; T1018-N1259 WeakPolarHBondContact CB-ND2 3.41Å; T1018-N1259 WeakPolarHBondContact CG2-ND2 3.4Å; T1018-N1259 PolarHBondContact OG1-OD1 2.94Å |
| 1019 | E | 80.6 | Confident | 88.5 | Confident | 142 Ų | 142 | 50.7 Ų | 50.7 | 66% | 0.664 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -35.3 | 178.8 | -62.2 | 173 | 162.7 | 0 | 0 | 112.6 | N1017 Y1258 | N1017-E1019 VanDerWaalsContact C-N 3.32Å; N1017-E1019 PolarHBondContact O-N 3.25Å; N1017-E1019 VanDerWaalsContact OD1-CB 3.25Å; N1017-E1019 WeakPolarHBondContact OD1-CB 3.28Å; N1017-E1019 VanDerWaalsContact OD1-CG 3.3Å; N1017-E1019 WeakPolarHBondContact OD1-CG 3.44Å; N1017-E1019 PolarHBondContact OD1-N 3.09Å; E1019-Y1258 HydrophobicContact CG-CE1 4.24Å |
| 1020 | N | 84.5 | Confident | 88.8 | Confident | 80 Ų | 80 | 50.9 Ų | 50.9 | 43% | 0.428 | 25% | 0.248 | S | C | . | . | trans | -128.9 | 94.1 | 174.4 | -176.2 | -23 | 0 | 0 | 0 | 109.8 | Q1022 Q1023 M1024 | N1020-Q1022 VanDerWaalsContact C-N 3.31Å; N1020-Q1022 PolarHBondContact O-N 3.41Å; N1020-Q1022 PolarHBondContact OD1-N 2.98Å; N1020-Q1023 HydrophobicContact CB-CB 4.09Å; N1020-Q1023 PolarHBondContact O-N 2.87Å; N1020-Q1023 PolarHBondContact OD1-N 2.92Å; N1020-M1024 PolarHBondContact O-N 2.99Å | ||
| 1021 | L | 86.8 | Confident | 89 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.9 | -39.1 | -179.3 | 178.9 | 60.2 | 0 | 0 | 0 | 112.9 | M1024 C1025 V1099 L1103 I1106 | L1021-M1024 HydrophobicContact CD1-CE 3.8Å; L1021-M1024 PolarHBondContact O-N 2.97Å; L1021-C1025 WeakPolarHBondContact O-CB 3.39Å; L1021-C1025 PolarHBondContact O-N 3.19Å; L1021-C1025 PolarHBondContact O-SG 3Å; L1021-V1099 HydrophobicContact CD1-CB 4.48Å; L1021-V1099 HydrophobicContact CD1-CG1 4.36Å; L1021-V1099 HydrophobicContact CD1-CG2 4.18Å; L1021-L1103 HydrophobicContact CD2-CD2 3.53Å; L1021-L1103 HydrophobicContact CD2-CG 3.71Å; L1021-I1106 HydrophobicContact CB-CD1 4.02Å; L1021-I1106 HydrophobicContact CD2-CD1 3.77Å |
| 1022 | Q | 88.1 | Confident | 89.2 | Confident | 74 Ų | 74 | 51 Ų | 51 | 35% | 0.346 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.2 | -47.7 | 179.7 | -68.1 | 173.4 | -0.1 | 0 | 0 | 110.4 | N1020 M1024 C1025 I1026 S1051 I1052 | N1020-Q1022 VanDerWaalsContact C-N 3.31Å; N1020-Q1022 PolarHBondContact O-N 3.41Å; N1020-Q1022 PolarHBondContact OD1-N 2.98Å; Q1022-M1024 PolarHBondContact O-N 3.49Å; Q1022-C1025 PolarHBondContact O-N 3.19Å; Q1022-I1026 VanDerWaalsContact O-CG1 3.3Å; Q1022-I1026 WeakPolarHBondContact O-CG1 3.49Å; Q1022-I1026 PolarHBondContact O-N 3.03Å; Q1022-S1051 WeakPolarHBondContact CG-OG 3.27Å; Q1022-S1051 PolarHBondContact NE2-O 3.1Å; Q1022-I1052 HydrophobicContact CG-CG1 4.37Å |
| 1023 | Q | 88.9 | Confident | 89.2 | Confident | 113 Ų | 113 | 53.2 Ų | 53.2 | 53% | 0.528 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 177.2 | -169.1 | 64.6 | 17.9 | 0 | 0 | 112.2 | N1020 I1026 H1027 | N1020-Q1023 HydrophobicContact CB-CB 4.09Å; N1020-Q1023 PolarHBondContact O-N 2.87Å; N1020-Q1023 PolarHBondContact OD1-N 2.92Å; Q1023-I1026 PolarHBondContact O-N 2.98Å; Q1023-H1027 WeakPolarHBondContact O-CB 3.38Å; Q1023-H1027 PolarHBondContact O-N 3.19Å |
| 1024 | M | 91.3 | Very high | 88.8 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 174.4 | -168.1 | -178.9 | 73.9 | 0 | 0 | 111.5 | S1015 N1017 T1018 N1020 L1021 Q1022 H1027 N1028 W1044 V1099 | S1015-M1024 WeakPolarHBondContact O-CG 3.2Å; N1017-M1024 WeakPolarHBondContact O-CB 3.48Å; T1018-M1024 HydrophobicContact CG2-SD 4.48Å; N1020-M1024 PolarHBondContact O-N 2.99Å; L1021-M1024 HydrophobicContact CD1-CE 3.8Å; L1021-M1024 PolarHBondContact O-N 2.97Å; Q1022-M1024 PolarHBondContact O-N 3.49Å; M1024-H1027 PolarHBondContact O-N 3.3Å; M1024-N1028 VanDerWaalsContact O-CB 3.29Å; M1024-N1028 WeakPolarHBondContact O-CB 3.41Å; M1024-N1028 PolarHBondContact O-N 3.2Å; M1024-N1028 PolarHBondContact O-ND2 2.68Å; M1024-W1044 HydrophobicContact CE-CZ3 4.45Å; M1024-V1099 HydrophobicContact CE-CG2 3.76Å |
| 1025 | C | 92.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 177.8 | -70.8 | 0 | 0 | 0 | 0 | 112.6 | L1021 Q1022 L1029 W1044 L1048 | L1021-C1025 WeakPolarHBondContact O-CB 3.39Å; L1021-C1025 PolarHBondContact O-N 3.19Å; L1021-C1025 PolarHBondContact O-SG 3Å; Q1022-C1025 PolarHBondContact O-N 3.19Å; C1025-L1029 WeakPolarHBondContact O-CB 3.31Å; C1025-L1029 PolarHBondContact O-N 3.07Å; C1025-W1044 HydrophobicContact CB-CE3 4.24Å; C1025-L1048 HydrophobicContact CB-CB 3.92Å; C1025-L1048 HydrophobicContact CB-CD1 4.09Å |
| 1026 | I | 92.4 | Very high | 87.5 | Confident | 82 Ų | 82 | 62.9 Ų | 62.9 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.4 | -49.3 | 175.5 | -69.2 | 164.1 | 0 | 0 | 0 | 110.8 | Q1022 Q1023 N1028 L1029 H1030 L1048 | Q1022-I1026 VanDerWaalsContact O-CG1 3.3Å; Q1022-I1026 WeakPolarHBondContact O-CG1 3.49Å; Q1022-I1026 PolarHBondContact O-N 3.03Å; Q1023-I1026 PolarHBondContact O-N 2.98Å; I1026-N1028 PolarHBondContact O-N 2.9Å; I1026-L1029 PolarHBondContact O-N 2.98Å; I1026-H1030 PolarHBondContact O-N 3.48Å; I1026-H1030 VanDerWaalsContact O-N 3.1Å; I1026-L1048 HydrophobicContact CD1-CD1 4.24Å; I1026-L1048 HydrophobicContact CG1-CD1 3.75Å; I1026-L1048 HydrophobicContact CG1-CD2 3.82Å; I1026-L1048 HydrophobicContact CG1-CG 4.46Å |
| 1027 | H | 93 | Very high | 87.3 | Confident | 89 Ų | 89 | 64.5 Ų | 64.5 | 41% | 0.412 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 179.3 | -177.5 | 102.2 | 0 | 0 | 0 | 111.6 | D1013 Q1023 M1024 H1030 A1031 | D1013-H1027 PolarHBondContact O-CD2 3.08Å; D1013-H1027 PolarHBondContact O-NE2 3.48Å; Q1023-H1027 WeakPolarHBondContact O-CB 3.38Å; Q1023-H1027 PolarHBondContact O-N 3.19Å; M1024-H1027 PolarHBondContact O-N 3.3Å; H1027-H1030 WeakPolarHBondContact O-CB 3.25Å; H1027-H1030 PolarHBondContact O-N 2.83Å; H1027-A1031 PolarHBondContact O-N 3Å |
| 1028 | N | 93.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.7 | -29.9 | -177 | -66.3 | -12.1 | 0 | 0 | 0 | 112.7 | Y1014 S1015 M1024 I1026 H1030 V1032 W1044 M1095 | Y1014-N1028 WeakPolarHBondContact CA-OD1 3.26Å; Y1014-N1028 HydrophobicContact CD1-CB 3.73Å; Y1014-N1028 HydrophobicContact CE1-CB 3.84Å; S1015-N1028 PolarHBondContact N-OD1 2.86Å; S1015-N1028 PolarHBondContact O-ND2 3.05Å; M1024-N1028 VanDerWaalsContact O-CB 3.29Å; M1024-N1028 WeakPolarHBondContact O-CB 3.41Å; M1024-N1028 PolarHBondContact O-N 3.2Å; M1024-N1028 PolarHBondContact O-ND2 2.68Å; I1026-N1028 PolarHBondContact O-N 2.9Å; N1028-H1030 VanDerWaalsContact C-N 3.35Å; N1028-V1032 WeakPolarHBondContact O-CB 3.39Å; N1028-V1032 WeakPolarHBondContact O-CG2 3.45Å; N1028-V1032 PolarHBondContact O-N 2.95Å; N1028-W1044 HydrophobicContact CB-CD2 3.67Å; N1028-W1044 VanDerWaalsContact CB-CE2 3.5Å; N1028-W1044 HydrophobicContact CB-CE3 3.85Å; N1028-W1044 HydrophobicContact CB-CG 4.34Å; N1028-W1044 HydrophobicContact CB-CH2 3.82Å; N1028-W1044 HydrophobicContact CB-CZ2 3.58Å; N1028-W1044 HydrophobicContact CB-CZ3 3.93Å; N1028-W1044 WeakPolarHBondContact ND2-CH2 3.43Å; N1028-M1095 VanDerWaalsContact ND2-CE 3.34Å; N1028-M1095 WeakPolarHBondContact ND2-CE 3.5Å |
| 1029 | L | 92.8 | Very high | 87.9 | Confident | 28 Ų | 28 | 70.1 Ų | 70.1 | 15% | 0.147 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63 | -40.6 | 168.7 | 179.8 | 57.9 | 0 | 0 | 0 | 111.7 | C1025 I1026 Y1033 I1041 W1044 Q1045 L1048 | C1025-L1029 WeakPolarHBondContact O-CB 3.31Å; C1025-L1029 PolarHBondContact O-N 3.07Å; I1026-L1029 PolarHBondContact O-N 2.98Å; L1029-Y1033 PolarHBondContact O-N 3.39Å; L1029-I1041 HydrophobicContact CD1-CG2 4.11Å; L1029-W1044 HydrophobicContact CB-CB 3.89Å; L1029-W1044 HydrophobicContact CD1-CB 4.02Å; L1029-Q1045 HydrophobicContact CD1-CG 3.94Å; L1029-Q1045 HydrophobicContact CD2-CG 4.01Å; L1029-L1048 HydrophobicContact CD2-CD2 4.5Å |
| 1030 | H | 91.4 | Very high | 88.4 | Confident | 139 Ų | 139 | 63.4 Ų | 63.4 | 64% | 0.644 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -67.5 | -44.2 | 176.4 | -174.8 | -89.4 | 0 | 0 | 0 | 112 | I1026 H1027 N1028 V1032 Y1033 | I1026-H1030 PolarHBondContact O-N 3.48Å; I1026-H1030 VanDerWaalsContact O-N 3.1Å; H1027-H1030 WeakPolarHBondContact O-CB 3.25Å; H1027-H1030 PolarHBondContact O-N 2.83Å; N1028-H1030 VanDerWaalsContact C-N 3.35Å; H1030-V1032 PolarHBondContact O-N 2.85Å; H1030-Y1033 WeakPolarHBondContact O-CB 3.35Å; H1030-Y1033 PolarHBondContact O-N 2.98Å |
| 1031 | A | 90.2 | Very high | 88.7 | Confident | 5 Ų | 5 | 60.9 Ų | 60.9 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.4 | -47.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1010 D1013 Y1014 H1027 Y1033 | L1010-A1031 HydrophobicContact CD2-CB 4.42Å; D1013-A1031 HydrophobicContact CB-CB 3.77Å; Y1014-A1031 HydrophobicContact CD1-CB 4.46Å; H1027-A1031 PolarHBondContact O-N 3Å; A1031-Y1033 VanDerWaalsContact C-N 3.29Å; A1031-Y1033 PolarHBondContact O-N 3.09Å |
| 1032 | V | 91.4 | Very high | 89 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.7 | -24.6 | -179.2 | 164.4 | 0 | 0 | 0 | 0 | 113.6 | L1010 Y1014 N1028 H1030 N1034 T1035 L1040 I1041 | L1010-V1032 HydrophobicContact CD1-CG2 4.27Å; L1010-V1032 HydrophobicContact CD2-CB 4.48Å; L1010-V1032 HydrophobicContact CD2-CG2 3.66Å; Y1014-V1032 HydrophobicContact CE1-CG2 3.7Å; Y1014-V1032 WeakPolarHBondContact OH-CG2 3.2Å; N1028-V1032 WeakPolarHBondContact O-CB 3.39Å; N1028-V1032 WeakPolarHBondContact O-CG2 3.45Å; N1028-V1032 PolarHBondContact O-N 2.95Å; H1030-V1032 PolarHBondContact O-N 2.85Å; V1032-N1034 PolarHBondContact O-N 3.13Å; V1032-N1034 VanDerWaalsContact O-N 3.1Å; V1032-T1035 PolarHBondContact O-N 2.76Å; V1032-T1035 PolarHBondContact O-OG1 3.04Å; V1032-L1040 HydrophobicContact CB-CB 4.41Å; V1032-L1040 HydrophobicContact CG1-CB 3.46Å; V1032-L1040 VanDerWaalsContact CG1-CB 3.46Å; V1032-L1040 HydrophobicContact CG2-CB 4.03Å; V1032-L1040 HydrophobicContact CG2-CD1 4.11Å; V1032-I1041 HydrophobicContact CG1-CG1 3.67Å |
| 1033 | Y | 87.5 | Confident | 89.2 | Confident | 146 Ų | 146 | 65.5 Ų | 65.5 | 57% | 0.573 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -56.8 | -32.8 | -177.1 | -132.1 | -79.9 | 0 | 0 | 0 | 112.9 | L1029 H1030 A1031 | L1029-Y1033 PolarHBondContact O-N 3.39Å; H1030-Y1033 WeakPolarHBondContact O-CB 3.35Å; H1030-Y1033 PolarHBondContact O-N 2.98Å; A1031-Y1033 VanDerWaalsContact C-N 3.29Å; A1031-Y1033 PolarHBondContact O-N 3.09Å |
| 1034 | N | 78.9 | Confident | 89.5 | Confident | 121 Ų | 121 | 60.1 Ų | 60.1 | 65% | 0.647 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -20.8 | -179.9 | -64.8 | -30.3 | 0 | 0 | 0 | 114.1 | V1032 | V1032-N1034 PolarHBondContact O-N 3.13Å; V1032-N1034 VanDerWaalsContact O-N 3.1Å |
| 1035 | T | 78.9 | Confident | 89.5 | Confident | 35 Ų | 35 | 64.3 Ų | 64.3 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -5.5 | -174.3 | 70 | 0 | 0 | 0 | 0 | 113.9 | D1007 L1010 V1032 R1037 | D1007-T1035 WeakPolarHBondContact OD2-CG2 3.44Å; L1010-T1035 HydrophobicContact CD1-CG2 4.13Å; L1010-T1035 HydrophobicContact CD2-CG2 3.66Å; L1010-T1035 HydrophobicContact CG-CG2 3.79Å; V1032-T1035 PolarHBondContact O-N 2.76Å; V1032-T1035 PolarHBondContact O-OG1 3.04Å; T1035-R1037 PolarHBondContact O-N 3.01Å; T1035-R1037 PolarHBondContact OG1-N 2.94Å |
| 1036 | H | 77.9 | Confident | 89.5 | Confident | 159 Ų | 159 | 65.6 Ų | 65.6 | 74% | 0.736 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 9.7 | -173.3 | -55.8 | -33.5 | 0 | 0 | 0 | 115.5 | K1038 | H1036-K1038 PolarHBondContact O-N 3.45Š|
| 1037 | R | 84.9 | Confident | 89.4 | Confident | 54 Ų | 54 | 61.7 Ų | 61.7 | 20% | 0.204 | 28% | 0.279 | C | S | . | . | trans | -72.1 | 86.5 | 176.7 | -77.2 | -165 | 63 | 179.7 | -3.3 | 112.5 | T1035 D1039 L1040 I1041 D1089 | T1035-R1037 PolarHBondContact O-N 3.01Å; T1035-R1037 PolarHBondContact OG1-N 2.94Å; R1037-D1039 WeakPolarHBondContact CA-OD1 3.45Å; R1037-D1039 WeakPolarHBondContact CB-OD1 3.23Å; R1037-D1039 IonicContact CZ-OD2 3.13Å; R1037-D1039 IonicContact NE-OD1 2.75Å; R1037-D1039 IonicContact NE-OD2 3.18Å; R1037-D1039 PolarHBondContact NE-OD2 2.91Å; R1037-D1039 IonicContact NH2-OD2 2.94Å; R1037-D1039 PolarHBondContact NH2-OD2 3.01Å; R1037-D1039 PolarHBondContact O-N 3.38Å; R1037-L1040 HydrophobicContact CB-CB 4.09Å; R1037-L1040 HydrophobicContact CB-CD1 4.07Å; R1037-L1040 HydrophobicContact CB-CG 4.06Å; R1037-L1040 VanDerWaalsContact CZ-CD1 3.49Å; R1037-L1040 PolarHBondContact O-N 2.7Å; R1037-I1041 WeakPolarHBondContact O-CG1 3.46Å; R1037-I1041 PolarHBondContact O-N 3.49Å; R1037-D1089 IonicContact CZ-OD2 2.98Å; R1037-D1089 IonicContact NH1-OD2 2.7Å; R1037-D1089 PolarHBondContact NH1-OD2 3.34Å; R1037-D1089 IonicContact NH2-OD2 3.62Å; R1037-D1089 PolarHBondContact NH2-OD2 3.44Å | ||
| 1038 | K | 89.1 | Confident | 89.3 | Confident | 156 Ų | 156 | 58.8 Ų | 58.8 | 68% | 0.678 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -59 | -28.8 | -178.1 | -61.8 | -173.9 | 179.6 | -174.2 | 0 | 114.4 | H1036 R1042 | H1036-K1038 PolarHBondContact O-N 3.45Å; K1038-R1042 WeakPolarHBondContact O-CG 3.43Å; K1038-R1042 PolarHBondContact O-N 3.25Å |
| 1039 | D | 90.1 | Very high | 89.1 | Confident | 42 Ų | 42 | 62.8 Ų | 62.8 | 23% | 0.225 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62 | -49.7 | 170.9 | 55.7 | -49 | 0 | 0 | 0 | 111.1 | R1037 R1042 F1043 W1080 | R1037-D1039 WeakPolarHBondContact CA-OD1 3.45Å; R1037-D1039 WeakPolarHBondContact CB-OD1 3.23Å; R1037-D1039 IonicContact CZ-OD2 3.13Å; R1037-D1039 IonicContact NE-OD1 2.75Å; R1037-D1039 IonicContact NE-OD2 3.18Å; R1037-D1039 PolarHBondContact NE-OD2 2.91Å; R1037-D1039 IonicContact NH2-OD2 2.94Å; R1037-D1039 PolarHBondContact NH2-OD2 3.01Å; R1037-D1039 PolarHBondContact O-N 3.38Å; D1039-R1042 PolarHBondContact O-N 3.3Å; D1039-F1043 PolarHBondContact O-N 3.48Å; D1039-W1080 WeakPolarHBondContact O-CH2 3.46Å; D1039-W1080 WeakPolarHBondContact O-CZ3 3.23Å |
| 1040 | L | 91.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.8 | -36 | 177.8 | -63.4 | -174.5 | 0 | 0 | 0 | 112.9 | L1010 V1032 R1037 R1042 F1043 W1044 F1084 S1092 | L1010-L1040 HydrophobicContact CD1-CD1 3.75Å; V1032-L1040 HydrophobicContact CB-CB 4.41Å; V1032-L1040 HydrophobicContact CG1-CB 3.46Å; V1032-L1040 VanDerWaalsContact CG1-CB 3.46Å; V1032-L1040 HydrophobicContact CG2-CB 4.03Å; V1032-L1040 HydrophobicContact CG2-CD1 4.11Å; R1037-L1040 HydrophobicContact CB-CB 4.09Å; R1037-L1040 HydrophobicContact CB-CD1 4.07Å; R1037-L1040 HydrophobicContact CB-CG 4.06Å; R1037-L1040 VanDerWaalsContact CZ-CD1 3.49Å; R1037-L1040 PolarHBondContact O-N 2.7Å; L1040-R1042 VanDerWaalsContact C-N 3.29Å; L1040-R1042 PolarHBondContact O-N 2.89Å; L1040-F1043 PolarHBondContact O-N 2.98Å; L1040-W1044 VanDerWaalsContact O-CD1 3.25Å; L1040-W1044 PolarHBondContact O-N 3.48Å; L1040-F1084 HydrophobicContact CD2-CE1 3.83Å; L1040-F1084 HydrophobicContact CD2-CZ 3.77Å; L1040-S1092 WeakPolarHBondContact CD2-OG 3.4Å |
| 1041 | I | 91.8 | Very high | 88.5 | Confident | 27 Ų | 27 | 55.2 Ų | 55.2 | 14% | 0.138 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.7 | -47.9 | 173.3 | -65.4 | 174 | 0 | 0 | 0 | 109.5 | L1029 V1032 R1037 Q1045 | L1029-I1041 HydrophobicContact CD1-CG2 4.11Å; V1032-I1041 HydrophobicContact CG1-CG1 3.67Å; R1037-I1041 WeakPolarHBondContact O-CG1 3.46Å; R1037-I1041 PolarHBondContact O-N 3.49Å; I1041-Q1045 HydrophobicContact CG2-CG 4.48Å; I1041-Q1045 WeakPolarHBondContact O-CB 3.29Å; I1041-Q1045 WeakPolarHBondContact O-CG 3.26Å; I1041-Q1045 PolarHBondContact O-N 2.85Å |
| 1042 | R | 91.7 | Very high | 88.2 | Confident | 175 Ų | 175 | 58.2 Ų | 58.2 | 66% | 0.66 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -64.7 | -40.6 | 177 | -76.3 | 173.8 | 167.4 | -162 | -8.2 | 112.7 | K1038 D1039 L1040 Y1046 W1080 | K1038-R1042 WeakPolarHBondContact O-CG 3.43Å; K1038-R1042 PolarHBondContact O-N 3.25Å; D1039-R1042 PolarHBondContact O-N 3.3Å; L1040-R1042 VanDerWaalsContact C-N 3.29Å; L1040-R1042 PolarHBondContact O-N 2.89Å; R1042-Y1046 WeakPolarHBondContact O-CB 3.48Å; R1042-Y1046 PolarHBondContact O-N 3.23Å; R1042-W1080 HydrophobicContact CB-CH2 3.94Å; R1042-W1080 HydrophobicContact CB-CZ2 4.41Å |
| 1043 | F | 93.5 | Very high | 87.6 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.009 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.2 | -51.3 | 176.1 | 172.3 | -102.6 | 0 | 0 | 0 | 111.7 | D1039 L1040 Y1046 A1047 F1077 W1080 F1084 L1096 V1099 | D1039-F1043 PolarHBondContact O-N 3.48Å; L1040-F1043 PolarHBondContact O-N 2.98Å; F1043-Y1046 PolarHBondContact O-N 2.82Å; F1043-A1047 HydrophobicContact CZ-CB 4.47Å; F1043-A1047 WeakPolarHBondContact O-CB 3.09Å; F1043-A1047 PolarHBondContact O-N 2.83Å; F1043-F1077 HydrophobicContact CE2-CE1 4.14Å; F1043-W1080 HydrophobicContact CB-CD2 4.49Å; F1043-W1080 HydrophobicContact CB-CE3 4.13Å; F1043-W1080 HydrophobicContact CB-CH2 3.85Å; F1043-W1080 HydrophobicContact CB-CZ2 4.22Å; F1043-W1080 HydrophobicContact CB-CZ3 3.81Å; F1043-W1080 AromaticContact CD2-CD2 3.96Å; F1043-W1080 HydrophobicContact CD2-CD2 3.96Å; F1043-W1080 HydrophobicContact CD2-CE3 4.2Å; F1043-W1080 HydrophobicContact CD2-CG 4.17Å; F1043-F1084 HydrophobicContact CB-CZ 4.46Å; F1043-F1084 HydrophobicContact CD2-CE2 4.33Å; F1043-F1084 HydrophobicContact CG-CE2 4.47Å; F1043-F1084 HydrophobicContact CG-CZ 4.41Å; F1043-L1096 HydrophobicContact CD2-CD1 4.42Å; F1043-L1096 HydrophobicContact CE2-CB 4.14Å; F1043-L1096 HydrophobicContact CE2-CD1 3.74Å; F1043-L1096 HydrophobicContact CE2-CG 3.86Å; F1043-L1096 HydrophobicContact CZ-CB 3.85Å; F1043-L1096 HydrophobicContact CZ-CD1 4.32Å; F1043-L1096 HydrophobicContact CZ-CG 4Å; F1043-V1099 HydrophobicContact CZ-CG2 4.38Å |
| 1044 | W | 94.2 | Very high | 87 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.9 | -33.8 | -178.5 | -72.4 | 115.4 | 0 | 0 | 0 | 113 | Y1014 M1024 C1025 N1028 L1029 L1040 A1047 L1048 M1095 V1099 | Y1014-W1044 HydrophobicContact CD1-CZ2 4.48Å; Y1014-W1044 AromaticContact CE1-CE2 3.93Å; Y1014-W1044 AromaticContact CE1-CZ2 3.92Å; Y1014-W1044 HydrophobicContact CE1-CZ2 3.92Å; Y1014-W1044 AromaticContact CE1-NE1 3.55Å; Y1014-W1044 AromaticContact CZ-NE1 3.7Å; Y1014-W1044 PolarHBondContact OH-NE1 3.14Å; Y1014-W1044 VanDerWaalsContact OH-NE1 3.16Å; M1024-W1044 HydrophobicContact CE-CZ3 4.45Å; C1025-W1044 HydrophobicContact CB-CE3 4.24Å; N1028-W1044 HydrophobicContact CB-CD2 3.67Å; N1028-W1044 VanDerWaalsContact CB-CE2 3.5Å; N1028-W1044 HydrophobicContact CB-CE3 3.85Å; N1028-W1044 HydrophobicContact CB-CG 4.34Å; N1028-W1044 HydrophobicContact CB-CH2 3.82Å; N1028-W1044 HydrophobicContact CB-CZ2 3.58Å; N1028-W1044 HydrophobicContact CB-CZ3 3.93Å; N1028-W1044 WeakPolarHBondContact ND2-CH2 3.43Å; L1029-W1044 HydrophobicContact CB-CB 3.89Å; L1029-W1044 HydrophobicContact CD1-CB 4.02Å; L1040-W1044 VanDerWaalsContact O-CD1 3.25Å; L1040-W1044 PolarHBondContact O-N 3.48Å; W1044-A1047 HydrophobicContact CE3-CB 4.38Å; W1044-L1048 VanDerWaalsContact O-CB 3.28Å; W1044-L1048 WeakPolarHBondContact O-CB 3.15Å; W1044-L1048 PolarHBondContact O-N 2.8Å; W1044-M1095 HydrophobicContact CH2-CB 4.18Å; W1044-M1095 HydrophobicContact CH2-CE 3.89Å; W1044-M1095 HydrophobicContact CZ2-CB 3.93Å; W1044-M1095 HydrophobicContact CZ2-CE 4.02Å; W1044-M1095 HydrophobicContact CZ2-CG 4.42Å; W1044-V1099 HydrophobicContact CH2-CG2 4Å; W1044-V1099 HydrophobicContact CZ3-CG2 3.68Å |
| 1045 | Q | 91.9 | Very high | 86.3 | Confident | 89 Ų | 89 | 49.8 Ų | 49.8 | 42% | 0.416 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.3 | -48 | 168.9 | -77.3 | 172.2 | -28.5 | 0 | 0 | 111.8 | L1029 I1041 L1048 V1049 | L1029-Q1045 HydrophobicContact CD1-CG 3.94Å; L1029-Q1045 HydrophobicContact CD2-CG 4.01Å; I1041-Q1045 HydrophobicContact CG2-CG 4.48Å; I1041-Q1045 WeakPolarHBondContact O-CB 3.29Å; I1041-Q1045 WeakPolarHBondContact O-CG 3.26Å; I1041-Q1045 PolarHBondContact O-N 2.85Å; Q1045-L1048 PolarHBondContact O-N 2.92Å; Q1045-V1049 WeakPolarHBondContact O-CG2 3.42Å; Q1045-V1049 PolarHBondContact O-N 2.8Å |
| 1046 | Y | 91.8 | Very high | 85.5 | Confident | 28 Ų | 28 | 54.7 Ų | 54.7 | 11% | 0.11 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 178.1 | 164.8 | -109.1 | 0 | 0 | 0 | 112.4 | R1042 F1043 L1048 V1049 M1050 I1072 L1076 F1077 W1080 | R1042-Y1046 WeakPolarHBondContact O-CB 3.48Å; R1042-Y1046 PolarHBondContact O-N 3.23Å; F1043-Y1046 PolarHBondContact O-N 2.82Å; Y1046-L1048 VanDerWaalsContact C-N 3.32Å; Y1046-L1048 PolarHBondContact O-N 3Å; Y1046-V1049 PolarHBondContact O-N 2.75Å; Y1046-M1050 HydrophobicContact CE2-CG 3.8Å; Y1046-M1050 WeakPolarHBondContact O-CB 3.41Å; Y1046-M1050 PolarHBondContact O-N 2.71Å; Y1046-I1072 HydrophobicContact CE2-CG1 4Å; Y1046-I1072 PolarHBondContact OH-O 3.08Å; Y1046-L1076 HydrophobicContact CD2-CD2 4.11Å; Y1046-L1076 HydrophobicContact CE1-CD2 4.17Å; Y1046-L1076 HydrophobicContact CE2-CD2 3.68Å; Y1046-F1077 HydrophobicContact CD1-CZ 4.36Å; Y1046-F1077 HydrophobicContact CE1-CD1 4.28Å; Y1046-F1077 HydrophobicContact CE1-CD2 4.08Å; Y1046-F1077 AromaticContact CE1-CE1 3.87Å; Y1046-F1077 HydrophobicContact CE1-CE1 3.87Å; Y1046-F1077 AromaticContact CE1-CE2 3.65Å; Y1046-F1077 HydrophobicContact CE1-CE2 3.65Å; Y1046-F1077 HydrophobicContact CE1-CG 4.37Å; Y1046-F1077 AromaticContact CE1-CZ 3.52Å; Y1046-F1077 HydrophobicContact CE1-CZ 3.52Å; Y1046-F1077 AromaticContact CZ-CE2 3.77Å; Y1046-F1077 WeakPolarHBondContact OH-CD2 3.43Å; Y1046-F1077 WeakPolarHBondContact OH-CE2 3.22Å; Y1046-W1080 AromaticContact CD1-NE1 3.8Å |
| 1047 | A | 90.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1043 W1044 S1051 V1099 | F1043-A1047 HydrophobicContact CZ-CB 4.47Å; F1043-A1047 WeakPolarHBondContact O-CB 3.09Å; F1043-A1047 PolarHBondContact O-N 2.83Å; W1044-A1047 HydrophobicContact CE3-CB 4.38Å; A1047-S1051 WeakPolarHBondContact O-CB 3.17Å; A1047-S1051 PolarHBondContact O-N 3.45Å; A1047-S1051 PolarHBondContact O-OG 3.37Å; A1047-V1099 HydrophobicContact CB-CG1 3.99Å |
| 1048 | L | 91.2 | Very high | 82.5 | Confident | 28 Ų | 28 | 53.8 Ų | 53.8 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.5 | -52.3 | 173.3 | -178.9 | 54.9 | 0 | 0 | 0 | 111.2 | C1025 I1026 L1029 W1044 Q1045 Y1046 M1050 S1051 I1052 | C1025-L1048 HydrophobicContact CB-CB 3.92Å; C1025-L1048 HydrophobicContact CB-CD1 4.09Å; I1026-L1048 HydrophobicContact CD1-CD1 4.24Å; I1026-L1048 HydrophobicContact CG1-CD1 3.75Å; I1026-L1048 HydrophobicContact CG1-CD2 3.82Å; I1026-L1048 HydrophobicContact CG1-CG 4.46Å; L1029-L1048 HydrophobicContact CD2-CD2 4.5Å; W1044-L1048 VanDerWaalsContact O-CB 3.28Å; W1044-L1048 WeakPolarHBondContact O-CB 3.15Å; W1044-L1048 PolarHBondContact O-N 2.8Å; Q1045-L1048 PolarHBondContact O-N 2.92Å; Y1046-L1048 VanDerWaalsContact C-N 3.32Å; Y1046-L1048 PolarHBondContact O-N 3Å; L1048-M1050 VanDerWaalsContact C-N 3.32Å; L1048-M1050 PolarHBondContact O-N 2.83Å; L1048-S1051 PolarHBondContact O-N 2.69Å; L1048-S1051 VanDerWaalsContact O-N 3.07Å; L1048-S1051 PolarHBondContact O-OG 2.93Å; L1048-I1052 HydrophobicContact CD1-CD1 3.82Å; L1048-I1052 HydrophobicContact CD1-CG1 4.22Å; L1048-I1052 HydrophobicContact CG-CD1 3.87Å; L1048-I1052 WeakPolarHBondContact O-CG1 3.37Å; L1048-I1052 PolarHBondContact O-N 3.32Å |
| 1049 | V | 89.1 | Confident | 80.3 | Confident | 84 Ų | 84 | 54.5 Ų | 54.5 | 51% | 0.509 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.2 | -45.4 | 177.1 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | Q1045 Y1046 S1051 I1052 S1053 | Q1045-V1049 WeakPolarHBondContact O-CG2 3.42Å; Q1045-V1049 PolarHBondContact O-N 2.8Å; Y1046-V1049 PolarHBondContact O-N 2.75Å; V1049-S1051 PolarHBondContact O-N 3.45Å; V1049-I1052 PolarHBondContact O-N 3.09Å; V1049-S1053 WeakPolarHBondContact O-CB 3.47Å; V1049-S1053 PolarHBondContact O-N 2.87Å; V1049-S1053 PolarHBondContact O-OG 3.48Å; V1049-S1053 VanDerWaalsContact O-OG 3.13Å |
| 1050 | M | 85.9 | Confident | 77.8 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.7 | -42.8 | 175.4 | -100.6 | -57.3 | -49.6 | 0 | 0 | 112.6 | Y1046 L1048 I1052 S1053 L1054 L1067 F1077 L1103 F1220 | Y1046-M1050 HydrophobicContact CE2-CG 3.8Å; Y1046-M1050 WeakPolarHBondContact O-CB 3.41Å; Y1046-M1050 PolarHBondContact O-N 2.71Å; L1048-M1050 VanDerWaalsContact C-N 3.32Å; L1048-M1050 PolarHBondContact O-N 2.83Å; M1050-I1052 VanDerWaalsContact C-N 3.28Å; M1050-I1052 PolarHBondContact O-N 3.44Å; M1050-S1053 PolarHBondContact O-N 2.95Å; M1050-L1054 HydrophobicContact CE-CB 4.39Å; M1050-L1054 VanDerWaalsContact O-CB 3.26Å; M1050-L1054 WeakPolarHBondContact O-CB 3.38Å; M1050-L1054 PolarHBondContact O-N 3.18Å; M1050-L1067 HydrophobicContact CE-CD2 3.69Å; M1050-L1067 HydrophobicContact CE-CG 3.98Å; M1050-L1067 HydrophobicContact SD-CD1 4.33Å; M1050-L1067 HydrophobicContact SD-CD2 3.87Å; M1050-L1067 HydrophobicContact SD-CG 4.01Å; M1050-F1077 HydrophobicContact CG-CE2 4.38Å; M1050-L1103 HydrophobicContact CB-CD1 4.45Å; M1050-L1103 HydrophobicContact CB-CD2 4.37Å; M1050-L1103 HydrophobicContact CE-CD1 4.44Å; M1050-L1103 HydrophobicContact CE-CD2 4.07Å; M1050-F1220 HydrophobicContact CE-CE1 3.87Å; M1050-F1220 HydrophobicContact CE-CE2 4.44Å; M1050-F1220 HydrophobicContact CE-CZ 3.48Å; M1050-F1220 VanDerWaalsContact CE-CZ 3.48Å |
| 1051 | S | 85.2 | Confident | 75.3 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.014 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.2 | -22.5 | 178.2 | 72.1 | 0 | 0 | 0 | 0 | 114.2 | Q1022 A1047 L1048 V1049 | Q1022-S1051 WeakPolarHBondContact CG-OG 3.27Å; Q1022-S1051 PolarHBondContact NE2-O 3.1Å; A1047-S1051 WeakPolarHBondContact O-CB 3.17Å; A1047-S1051 PolarHBondContact O-N 3.45Å; A1047-S1051 PolarHBondContact O-OG 3.37Å; L1048-S1051 PolarHBondContact O-N 2.69Å; L1048-S1051 VanDerWaalsContact O-N 3.07Å; L1048-S1051 PolarHBondContact O-OG 2.93Å; V1049-S1051 PolarHBondContact O-N 3.45Å |
| 1052 | I | 84 | Confident | 72.8 | Confident | 68 Ų | 68 | 70.4 Ų | 70.4 | 35% | 0.349 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -82.7 | -49.4 | 173.8 | -68.3 | 168.6 | 0 | 0 | 0 | 109.9 | Q1022 L1048 V1049 M1050 L1054 G1055 H1056 | Q1022-I1052 HydrophobicContact CG-CG1 4.37Å; L1048-I1052 HydrophobicContact CD1-CD1 3.82Å; L1048-I1052 HydrophobicContact CD1-CG1 4.22Å; L1048-I1052 HydrophobicContact CG-CD1 3.87Å; L1048-I1052 WeakPolarHBondContact O-CG1 3.37Å; L1048-I1052 PolarHBondContact O-N 3.32Å; V1049-I1052 PolarHBondContact O-N 3.09Å; M1050-I1052 VanDerWaalsContact C-N 3.28Å; M1050-I1052 PolarHBondContact O-N 3.44Å; I1052-L1054 PolarHBondContact O-N 3.17Å; I1052-G1055 WeakPolarHBondContact O-CA 3.46Å; I1052-G1055 PolarHBondContact O-N 3Å; I1052-H1056 PolarHBondContact O-CD2 3.13Å; I1052-H1056 PolarHBondContact O-N 3.33Å |
| 1053 | S | 80.1 | Confident | 70.5 | Confident | 58 Ų | 58 | 69 Ų | 69 | 41% | 0.406 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59 | -42.7 | 177.7 | -64 | 0 | 0 | 0 | 0 | 112.7 | V1049 M1050 G1055 H1056 | V1049-S1053 WeakPolarHBondContact O-CB 3.47Å; V1049-S1053 PolarHBondContact O-N 2.87Å; V1049-S1053 PolarHBondContact O-OG 3.48Å; V1049-S1053 VanDerWaalsContact O-OG 3.13Å; M1050-S1053 PolarHBondContact O-N 2.95Å; S1053-G1055 PolarHBondContact O-N 3.03Å; S1053-H1056 PolarHBondContact O-N 3.42Å |
| 1054 | L | 73.8 | Confident | 68.5 | Low | 2 Ų | 2 | 74.7 Ų | 74.7 | 1% | 0.01 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -23 | 176.1 | -163.9 | 70.1 | 0 | 0 | 0 | 112.1 | M1050 I1052 L1067 L1103 I1106 N1107 K1110 F1220 | M1050-L1054 HydrophobicContact CE-CB 4.39Å; M1050-L1054 VanDerWaalsContact O-CB 3.26Å; M1050-L1054 WeakPolarHBondContact O-CB 3.38Å; M1050-L1054 PolarHBondContact O-N 3.18Å; I1052-L1054 PolarHBondContact O-N 3.17Å; L1054-L1067 HydrophobicContact CB-CD2 4.47Å; L1054-L1067 HydrophobicContact CD1-CD2 4.03Å; L1054-L1103 HydrophobicContact CD2-CB 4.43Å; L1054-L1103 HydrophobicContact CD2-CD2 3.81Å; L1054-L1103 WeakPolarHBondContact CD2-O 3.41Å; L1054-I1106 HydrophobicContact CB-CG2 4.48Å; L1054-I1106 HydrophobicContact CD2-CB 3.82Å; L1054-I1106 HydrophobicContact CD2-CG2 3.64Å; L1054-I1106 HydrophobicContact CG-CG2 3.84Å; L1054-N1107 HydrophobicContact CD1-CB 4.35Å; L1054-N1107 HydrophobicContact CD2-CB 4.31Å; L1054-K1110 WeakPolarHBondContact O-CE 3.3Å; L1054-K1110 PolarHBondContact O-NZ 2.97Å; L1054-F1220 HydrophobicContact CD1-CE2 4.46Å; L1054-F1220 HydrophobicContact CD2-CE2 4.29Å |
| 1055 | G | 65.6 | Low | 66.7 | Low | 30 Ų | 30 | 80.2 Ų | 80.2 | 31% | 0.309 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -52 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1052 S1053 T1057 K1110 | I1052-G1055 WeakPolarHBondContact O-CA 3.46Å; I1052-G1055 PolarHBondContact O-N 3Å; S1053-G1055 PolarHBondContact O-N 3.03Å; G1055-T1057 PolarHBondContact O-N 3.46Å; G1055-K1110 PolarHBondContact O-NZ 3.35Å |
| 1056 | H | 61.9 | Low | 65.3 | Low | 138 Ų | 138 | 77.3 Ų | 77.3 | 64% | 0.639 | 41% | 0.412 | S | S | * | . | trans | -81.7 | 10.7 | -169.6 | -73.6 | -69 | 0 | 0 | 0 | 117.1 | I1052 S1053 D1058 | I1052-H1056 PolarHBondContact O-CD2 3.13Å; I1052-H1056 PolarHBondContact O-N 3.33Å; S1053-H1056 PolarHBondContact O-N 3.42Å; H1056-D1058 VanDerWaalsContact C-N 3.29Å; H1056-D1058 PolarHBondContact O-N 3.19Å | ||
| 1057 | T | 56.8 | Low | 64.2 | Low | 84 Ų | 84 | 77.4 Ų | 77.4 | 52% | 0.515 | 41% | 0.414 | S | S | . | . | trans | -74.9 | 77.8 | 175.1 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | G1055 K1110 | G1055-T1057 PolarHBondContact O-N 3.46Å; T1057-K1110 PolarHBondContact OG1-NZ 2.86Å | ||
| 1058 | D | 41.9 | Very low | 63.2 | Low | 110 Ų | 110 | 77.5 Ų | 77.5 | 59% | 0.588 | 42% | 0.415 | S | S | * | . | trans | -92.1 | 119.6 | 179.5 | -67.4 | -33.5 | 0 | 0 | 0 | 112.6 | H1056 S1060 | H1056-D1058 VanDerWaalsContact C-N 3.29Å; H1056-D1058 PolarHBondContact O-N 3.19Å; D1058-S1060 VanDerWaalsContact C-N 3.28Å; D1058-S1060 PolarHBondContact O-N 2.86Å | ||
| 1059 | H | 43.5 | Very low | 62.1 | Low | 171 Ų | 171 | 77.9 Ų | 77.9 | 79% | 0.792 | 42% | 0.42 | S | S | * | . | trans | 49.4 | 7.6 | 151.5 | -61.3 | -62.2 | 0 | 0 | 0 | 121.9 | H1061 | H1059-H1061 PolarHBondContact O-N 2.65Š| ||
| 1060 | S | 37.1 | Very low | 61.4 | Low | 83 Ų | 83 | 77 Ų | 77 | 58% | 0.58 | 41% | 0.41 | S | S | * | . | trans | -73.7 | 121.5 | 175.9 | 61.9 | 0 | 0 | 0 | 0 | 112.5 | D1058 Q1062 | D1058-S1060 VanDerWaalsContact C-N 3.28Å; D1058-S1060 PolarHBondContact O-N 2.86Å; S1060-Q1062 PolarHBondContact O-N 3.21Å | ||
| 1061 | H | 39.4 | Very low | 60.9 | Low | 182 Ų | 182 | 84.1 Ų | 84.1 | 84% | 0.843 | 45% | 0.447 | S | S | * | . | trans | -71.6 | 43.7 | 179 | -73.2 | -74.5 | 0 | 0 | 0 | 114.8 | H1059 | H1059-H1061 PolarHBondContact O-N 2.65Š| ||
| 1062 | Q | 40.8 | Very low | 60.6 | Low | 139 Ų | 139 | 88.1 Ų | 88.1 | 65% | 0.65 | 47% | 0.468 | S | S | * | . | trans | -118.6 | 129.8 | 175.8 | -67.4 | -169.9 | 4.1 | 0 | 0 | 110.6 | S1060 H1064 | S1060-Q1062 PolarHBondContact O-N 3.21Å; Q1062-H1064 VanDerWaalsContact C-N 3.28Å; Q1062-H1064 WeakPolarHBondContact CB-NE2 3.48Å; Q1062-H1064 PolarHBondContact O-CD2 3.28Å; Q1062-H1064 PolarHBondContact O-N 3.05Å | ||
| 1063 | V | 43.4 | Very low | 60.5 | Low | 145 Ų | 145 | 84.9 Ų | 84.9 | 88% | 0.879 | 45% | 0.451 | S | S | * | . | trans | -77.4 | 79.9 | -178.1 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1064 | H | 51.4 | Low | 60.6 | Low | 122 Ų | 122 | 85 Ų | 85 | 57% | 0.565 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -78.9 | 145.7 | 173.3 | -67.5 | -71.1 | 0 | 0 | 0 | 111.3 | Q1062 | Q1062-H1064 VanDerWaalsContact C-N 3.28Å; Q1062-H1064 WeakPolarHBondContact CB-NE2 3.48Å; Q1062-H1064 PolarHBondContact O-CD2 3.28Å; Q1062-H1064 PolarHBondContact O-N 3.05Å |
| 1065 | Q | 55 | Low | 61 | Low | 117 Ų | 117 | 87.3 Ų | 87.3 | 55% | 0.547 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 130.3 | 173.5 | 178.1 | 176.5 | -1.5 | 0 | 0 | 110.5 | L1067 S1069 Q1070 | Q1065-L1067 PolarHBondContact O-N 3.39Å; Q1065-S1069 VanDerWaalsContact CG-OG 3.23Å; Q1065-S1069 WeakPolarHBondContact CG-OG 3.49Å; Q1065-S1069 PolarHBondContact NE2-O 3.25Å; Q1065-S1069 VanDerWaalsContact NE2-O 3.13Å; Q1065-S1069 PolarHBondContact NE2-OG 2.87Å; Q1065-Q1070 HydrophobicContact CG-CG 4.25Å; Q1065-Q1070 PolarHBondContact O-NE2 2.85Å |
| 1066 | P | 62.7 | Low | 62 | Low | 27 Ų | 27 | 88.7 Ų | 88.7 | 18% | 0.175 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -52.8 | 133.6 | -177 | -28.3 | 34.4 | 0 | 0 | 0 | 112.8 | A1068 S1069 Q1070 | P1066-A1068 PolarHBondContact O-N 3.07Å; P1066-S1069 PolarHBondContact O-N 3.44Å; P1066-S1069 PolarHBondContact O-OG 3.28Å; P1066-Q1070 PolarHBondContact O-N 3.04Å |
| 1067 | L | 68.9 | Low | 63.3 | Low | 31 Ų | 31 | 82.1 Ų | 82.1 | 16% | 0.162 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -28.7 | -172.3 | -174.4 | 54.1 | 0 | 0 | 0 | 113.3 | M1050 L1054 Q1065 S1069 I1072 G1073 | M1050-L1067 HydrophobicContact CE-CD2 3.69Å; M1050-L1067 HydrophobicContact CE-CG 3.98Å; M1050-L1067 HydrophobicContact SD-CD1 4.33Å; M1050-L1067 HydrophobicContact SD-CD2 3.87Å; M1050-L1067 HydrophobicContact SD-CG 4.01Å; L1054-L1067 HydrophobicContact CB-CD2 4.47Å; L1054-L1067 HydrophobicContact CD1-CD2 4.03Å; Q1065-L1067 PolarHBondContact O-N 3.39Å; L1067-S1069 VanDerWaalsContact C-N 3.35Å; L1067-S1069 PolarHBondContact O-N 3.25Å; L1067-I1072 HydrophobicContact CD1-CG2 3.9Å; L1067-G1073 WeakPolarHBondContact O-CA 3.33Å |
| 1068 | A | 70 | Confident | 64.7 | Low | 1 Ų | 1 | 80 Ų | 80 | 1% | 0.008 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -31.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | P1066 R1074 S1218 F1220 | P1066-A1068 PolarHBondContact O-N 3.07Å; A1068-R1074 VanDerWaalsContact O-CB 3.3Å; A1068-R1074 WeakPolarHBondContact O-CB 3.21Å; A1068-R1074 PolarHBondContact O-N 2.94Å; A1068-S1218 VanDerWaalsContact CB-O 3.24Å; A1068-S1218 WeakPolarHBondContact CB-O 3.49Å; A1068-F1220 HydrophobicContact CB-CD1 4.12Å; A1068-F1220 HydrophobicContact CB-CD2 3.87Å; A1068-F1220 HydrophobicContact CB-CE1 4.04Å; A1068-F1220 HydrophobicContact CB-CE2 3.78Å; A1068-F1220 HydrophobicContact CB-CG 4.03Å; A1068-F1220 HydrophobicContact CB-CZ 3.85Å |
| 1069 | S | 67.9 | Low | 66.9 | Low | 36 Ų | 36 | 77.5 Ų | 77.5 | 25% | 0.252 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -8.3 | -179.2 | 72.5 | 0 | 0 | 0 | 0 | 114.1 | Q1065 P1066 L1067 | Q1065-S1069 VanDerWaalsContact CG-OG 3.23Å; Q1065-S1069 WeakPolarHBondContact CG-OG 3.49Å; Q1065-S1069 PolarHBondContact NE2-O 3.25Å; Q1065-S1069 VanDerWaalsContact NE2-O 3.13Å; Q1065-S1069 PolarHBondContact NE2-OG 2.87Å; P1066-S1069 PolarHBondContact O-N 3.44Å; P1066-S1069 PolarHBondContact O-OG 3.28Å; L1067-S1069 VanDerWaalsContact C-N 3.35Å; L1067-S1069 PolarHBondContact O-N 3.25Å |
| 1070 | Q | 75 | Confident | 69.2 | Low | 67 Ų | 67 | 71 Ų | 71 | 31% | 0.313 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -68.8 | 156.8 | 169.3 | -60.9 | -179.4 | 17.7 | 0 | 0 | 110.6 | Q1065 P1066 I1072 G1073 P1075 | Q1065-Q1070 HydrophobicContact CG-CG 4.25Å; Q1065-Q1070 PolarHBondContact O-NE2 2.85Å; P1066-Q1070 PolarHBondContact O-N 3.04Å; Q1070-I1072 HydrophobicContact CB-CG2 4.22Å; Q1070-I1072 PolarHBondContact O-N 3.48Å; Q1070-I1072 VanDerWaalsContact O-N 3.12Å; Q1070-G1073 WeakPolarHBondContact O-CA 3.33Å; Q1070-G1073 PolarHBondContact O-N 2.88Å; Q1070-P1075 VanDerWaalsContact O-CD 3.31Å; Q1070-P1075 WeakPolarHBondContact O-CD 3.45Å |
| 1071 | L | 73.7 | Confident | 71.8 | Confident | 153 Ų | 153 | 67.9 Ų | 67.9 | 80% | 0.801 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -29.7 | 178 | -69.1 | 173.5 | 0 | 0 | 0 | 113.3 | G1073 | L1071-G1073 VanDerWaalsContact C-N 3.27Å; L1071-G1073 PolarHBondContact O-N 3.12Å |
| 1072 | I | 80.7 | Confident | 74.2 | Confident | 87 Ų | 87 | 65.6 Ų | 65.6 | 45% | 0.446 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 0.6 | 177.2 | -157.9 | 161.1 | 0 | 0 | 0 | 113.6 | Y1046 L1067 Q1070 | Y1046-I1072 HydrophobicContact CE2-CG1 4Å; Y1046-I1072 PolarHBondContact OH-O 3.08Å; L1067-I1072 HydrophobicContact CD1-CG2 3.9Å; Q1070-I1072 HydrophobicContact CB-CG2 4.22Å; Q1070-I1072 PolarHBondContact O-N 3.48Å; Q1070-I1072 VanDerWaalsContact O-N 3.12Å |
| 1073 | G | 81.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -98.6 | -129.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | L1067 Q1070 L1071 L1076 F1077 | L1067-G1073 WeakPolarHBondContact O-CA 3.33Å; Q1070-G1073 WeakPolarHBondContact O-CA 3.33Å; Q1070-G1073 PolarHBondContact O-N 2.88Å; L1071-G1073 VanDerWaalsContact C-N 3.27Å; L1071-G1073 PolarHBondContact O-N 3.12Å; G1073-L1076 PolarHBondContact O-N 3.47Å; G1073-L1076 VanDerWaalsContact O-N 3.13Å; G1073-F1077 PolarHBondContact O-N 2.87Å |
| 1074 | R | 80.9 | Confident | 78.9 | Confident | 60 Ų | 60 | 55.3 Ų | 55.3 | 23% | 0.226 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -51.6 | -40.7 | -177.3 | -171.9 | 172.4 | 179.1 | -88.4 | 1 | 114 | A1068 L1076 F1077 D1078 D1225 | A1068-R1074 VanDerWaalsContact O-CB 3.3Å; A1068-R1074 WeakPolarHBondContact O-CB 3.21Å; A1068-R1074 PolarHBondContact O-N 2.94Å; R1074-L1076 VanDerWaalsContact C-N 3.27Å; R1074-L1076 PolarHBondContact O-N 3.35Å; R1074-F1077 PolarHBondContact O-N 2.7Å; R1074-D1078 IonicContact NH1-OD2 3.69Å; R1074-D1078 PolarHBondContact O-N 2.76Å; R1074-D1225 IonicContact CZ-OD2 3.38Å; R1074-D1225 IonicContact NE-OD2 2.73Å; R1074-D1225 IonicContact NH2-OD1 3.59Å; R1074-D1225 PolarHBondContact NH2-OD1 2.98Å; R1074-D1225 IonicContact NH2-OD2 3.27Å; R1074-D1225 PolarHBondContact NH2-OD2 2.95Å |
| 1075 | P | 83 | Confident | 80.8 | Confident | 50 Ų | 50 | 52.6 Ų | 52.6 | 33% | 0.325 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.2 | -36 | 178.9 | -26.4 | 36.3 | 0 | 0 | 0 | 114.1 | Q1070 T1079 | Q1070-P1075 VanDerWaalsContact O-CD 3.31Å; Q1070-P1075 WeakPolarHBondContact O-CD 3.45Å; P1075-T1079 PolarHBondContact O-N 3.05Å |
| 1076 | L | 86.9 | Confident | 82.4 | Confident | 60 Ų | 60 | 56.4 Ų | 56.4 | 31% | 0.314 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -77.3 | -40.8 | 177.2 | -164.8 | 68.4 | 0 | 0 | 0 | 111.6 | Y1046 G1073 R1074 D1078 T1079 W1080 | Y1046-L1076 HydrophobicContact CD2-CD2 4.11Å; Y1046-L1076 HydrophobicContact CE1-CD2 4.17Å; Y1046-L1076 HydrophobicContact CE2-CD2 3.68Å; G1073-L1076 PolarHBondContact O-N 3.47Å; G1073-L1076 VanDerWaalsContact O-N 3.13Å; R1074-L1076 VanDerWaalsContact C-N 3.27Å; R1074-L1076 PolarHBondContact O-N 3.35Å; L1076-D1078 VanDerWaalsContact C-N 3.26Å; L1076-D1078 PolarHBondContact O-N 3.06Å; L1076-T1079 WeakPolarHBondContact O-CA 3.31Å; L1076-T1079 WeakPolarHBondContact O-CB 3.35Å; L1076-T1079 PolarHBondContact O-N 3.2Å; L1076-T1079 PolarHBondContact O-OG1 3.08Å; L1076-W1080 VanDerWaalsContact O-CD1 3.27Å; L1076-W1080 PolarHBondContact O-N 3.38Å; L1076-W1080 VanDerWaalsContact O-N 3.13Å |
| 1077 | F | 89.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.2 | -37.9 | 171.7 | -80.3 | -76.9 | 0 | 0 | 0 | 112.3 | F1043 Y1046 M1050 G1073 R1074 T1079 W1080 I1081 L1096 V1099 L1100 L1103 F1220 | F1043-F1077 HydrophobicContact CE2-CE1 4.14Å; Y1046-F1077 HydrophobicContact CD1-CZ 4.36Å; Y1046-F1077 HydrophobicContact CE1-CD1 4.28Å; Y1046-F1077 HydrophobicContact CE1-CD2 4.08Å; Y1046-F1077 AromaticContact CE1-CE1 3.87Å; Y1046-F1077 HydrophobicContact CE1-CE1 3.87Å; Y1046-F1077 AromaticContact CE1-CE2 3.65Å; Y1046-F1077 HydrophobicContact CE1-CE2 3.65Å; Y1046-F1077 HydrophobicContact CE1-CG 4.37Å; Y1046-F1077 AromaticContact CE1-CZ 3.52Å; Y1046-F1077 HydrophobicContact CE1-CZ 3.52Å; Y1046-F1077 AromaticContact CZ-CE2 3.77Å; Y1046-F1077 WeakPolarHBondContact OH-CD2 3.43Å; Y1046-F1077 WeakPolarHBondContact OH-CE2 3.22Å; M1050-F1077 HydrophobicContact CG-CE2 4.38Å; G1073-F1077 PolarHBondContact O-N 2.87Å; R1074-F1077 PolarHBondContact O-N 2.7Å; F1077-T1079 PolarHBondContact O-N 3.49Å; F1077-W1080 WeakPolarHBondContact O-CB 3.46Å; F1077-W1080 PolarHBondContact O-N 3.25Å; F1077-W1080 VanDerWaalsContact O-N 3.09Å; F1077-I1081 WeakPolarHBondContact O-CG1 3.45Å; F1077-I1081 PolarHBondContact O-N 3.38Å; F1077-L1096 HydrophobicContact CD1-CD1 4.46Å; F1077-L1096 HydrophobicContact CD1-CD2 4.48Å; F1077-L1096 HydrophobicContact CD1-CG 4.28Å; F1077-V1099 HydrophobicContact CE1-CG1 4.1Å; F1077-V1099 HydrophobicContact CZ-CG1 4.26Å; F1077-L1100 HydrophobicContact CB-CD1 4.46Å; F1077-L1100 HydrophobicContact CB-CD2 3.83Å; F1077-L1100 HydrophobicContact CB-CG 4.48Å; F1077-L1100 HydrophobicContact CD1-CD2 3.76Å; F1077-L1100 HydrophobicContact CD1-CG 4.01Å; F1077-L1100 HydrophobicContact CD2-CD2 3.77Å; F1077-L1100 HydrophobicContact CE1-CD2 4.24Å; F1077-L1100 HydrophobicContact CE1-CG 4.47Å; F1077-L1100 HydrophobicContact CE2-CD2 4.24Å; F1077-L1100 HydrophobicContact CG-CD2 3.51Å; F1077-L1100 HydrophobicContact CG-CG 4.22Å; F1077-L1100 HydrophobicContact CZ-CD2 4.47Å; F1077-L1103 HydrophobicContact CE1-CD1 4.46Å; F1077-L1103 HydrophobicContact CE2-CD1 3.71Å; F1077-L1103 HydrophobicContact CZ-CD1 3.49Å; F1077-L1103 VanDerWaalsContact CZ-CD1 3.49Å; F1077-F1220 HydrophobicContact CE2-CE1 4.45Å |
| 1078 | D | 85.7 | Confident | 84.4 | Confident | 38 Ų | 38 | 64.8 Ų | 64.8 | 20% | 0.203 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.5 | -30.5 | 173.1 | -67.4 | -22.7 | 0 | 0 | 0 | 112.1 | R1074 L1076 R1082 | R1074-D1078 IonicContact NH1-OD2 3.69Å; R1074-D1078 PolarHBondContact O-N 2.76Å; L1076-D1078 VanDerWaalsContact C-N 3.26Å; L1076-D1078 PolarHBondContact O-N 3.06Å; D1078-R1082 VanDerWaalsContact O-CB 3.32Å; D1078-R1082 WeakPolarHBondContact O-CB 3.29Å; D1078-R1082 VanDerWaalsContact O-CG 3.3Å; D1078-R1082 WeakPolarHBondContact O-CG 3.08Å; D1078-R1082 PolarHBondContact O-N 3.29Å; D1078-R1082 PolarHBondContact O-NE 3Å |
| 1079 | T | 89 | Confident | 85.4 | Confident | 58 Ų | 58 | 65.2 Ų | 65.2 | 36% | 0.356 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.1 | -38 | 172 | 72.2 | 0 | 0 | 0 | 0 | 112.4 | P1075 L1076 F1077 R1082 H1083 | P1075-T1079 PolarHBondContact O-N 3.05Å; L1076-T1079 WeakPolarHBondContact O-CA 3.31Å; L1076-T1079 WeakPolarHBondContact O-CB 3.35Å; L1076-T1079 PolarHBondContact O-N 3.2Å; L1076-T1079 PolarHBondContact O-OG1 3.08Å; F1077-T1079 PolarHBondContact O-N 3.49Å; T1079-R1082 PolarHBondContact O-N 3.16Å; T1079-H1083 WeakPolarHBondContact O-CB 3.29Å; T1079-H1083 PolarHBondContact O-N 3.25Å |
| 1080 | W | 91.3 | Very high | 86.4 | Confident | 36 Ų | 36 | 65.1 Ų | 65.1 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.9 | -42.6 | 175.1 | -72.3 | 107.4 | 0 | 0 | 0 | 111.6 | D1039 R1042 F1043 Y1046 L1076 F1077 H1083 F1084 L1096 | D1039-W1080 WeakPolarHBondContact O-CH2 3.46Å; D1039-W1080 WeakPolarHBondContact O-CZ3 3.23Å; R1042-W1080 HydrophobicContact CB-CH2 3.94Å; R1042-W1080 HydrophobicContact CB-CZ2 4.41Å; F1043-W1080 HydrophobicContact CB-CD2 4.49Å; F1043-W1080 HydrophobicContact CB-CE3 4.13Å; F1043-W1080 HydrophobicContact CB-CH2 3.85Å; F1043-W1080 HydrophobicContact CB-CZ2 4.22Å; F1043-W1080 HydrophobicContact CB-CZ3 3.81Å; F1043-W1080 AromaticContact CD2-CD2 3.96Å; F1043-W1080 HydrophobicContact CD2-CD2 3.96Å; F1043-W1080 HydrophobicContact CD2-CE3 4.2Å; F1043-W1080 HydrophobicContact CD2-CG 4.17Å; Y1046-W1080 AromaticContact CD1-NE1 3.8Å; L1076-W1080 VanDerWaalsContact O-CD1 3.27Å; L1076-W1080 PolarHBondContact O-N 3.38Å; L1076-W1080 VanDerWaalsContact O-N 3.13Å; F1077-W1080 WeakPolarHBondContact O-CB 3.46Å; F1077-W1080 PolarHBondContact O-N 3.25Å; F1077-W1080 VanDerWaalsContact O-N 3.09Å; W1080-H1083 WeakPolarHBondContact O-CB 3.47Å; W1080-H1083 PolarHBondContact O-N 3.38Å; W1080-H1083 VanDerWaalsContact O-N 3.15Å; W1080-F1084 HydrophobicContact CB-CE2 4.33Å; W1080-F1084 HydrophobicContact CE3-CE1 4.5Å; W1080-F1084 HydrophobicContact CE3-CE2 4Å; W1080-F1084 AromaticContact CE3-CZ 3.76Å; W1080-F1084 HydrophobicContact CE3-CZ 3.76Å; W1080-F1084 HydrophobicContact CZ3-CZ 4.16Å; W1080-F1084 VanDerWaalsContact O-CD2 3.31Å; W1080-F1084 WeakPolarHBondContact O-CD2 3.29Å; W1080-F1084 PolarHBondContact O-N 2.83Å; W1080-L1096 HydrophobicContact CB-CD1 3.49Å; W1080-L1096 VanDerWaalsContact CB-CD1 3.49Å |
| 1081 | I | 91.4 | Very high | 87.2 | Confident | 17 Ų | 17 | 62.2 Ų | 62.2 | 9% | 0.087 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58 | -50.3 | 172.2 | -68.5 | 164.2 | 0 | 0 | 0 | 110.2 | F1077 H1083 F1084 L1085 L1093 L1096 L1100 F1229 | F1077-I1081 WeakPolarHBondContact O-CG1 3.45Å; F1077-I1081 PolarHBondContact O-N 3.38Å; I1081-H1083 PolarHBondContact O-N 2.93Å; I1081-F1084 PolarHBondContact O-N 3.09Å; I1081-L1085 HydrophobicContact CG2-CD1 3.72Å; I1081-L1085 HydrophobicContact CG2-CG 4.36Å; I1081-L1085 VanDerWaalsContact O-CB 3.3Å; I1081-L1085 WeakPolarHBondContact O-CB 3.19Å; I1081-L1085 VanDerWaalsContact O-CG 3.31Å; I1081-L1085 WeakPolarHBondContact O-CG 3.49Å; I1081-L1085 PolarHBondContact O-N 3.15Å; I1081-L1093 HydrophobicContact CG2-CD2 4.31Å; I1081-L1096 HydrophobicContact CD1-CD2 3.9Å; I1081-L1096 HydrophobicContact CG1-CD1 4.13Å; I1081-L1096 HydrophobicContact CG1-CD2 3.5Å; I1081-L1100 HydrophobicContact CD1-CD1 4.01Å; I1081-F1229 HydrophobicContact CD1-CE1 4.01Å; I1081-F1229 HydrophobicContact CD1-CZ 4.05Å |
| 1082 | R | 90.5 | Very high | 88.1 | Confident | 134 Ų | 134 | 55 Ų | 55 | 51% | 0.506 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.4 | -24.3 | 177.1 | -76.3 | 177.2 | -93.5 | 123.9 | -7.2 | 113.5 | D1078 T1079 R1086 | D1078-R1082 VanDerWaalsContact O-CB 3.32Å; D1078-R1082 WeakPolarHBondContact O-CB 3.29Å; D1078-R1082 VanDerWaalsContact O-CG 3.3Å; D1078-R1082 WeakPolarHBondContact O-CG 3.08Å; D1078-R1082 PolarHBondContact O-N 3.29Å; D1078-R1082 PolarHBondContact O-NE 3Å; T1079-R1082 PolarHBondContact O-N 3.16Å; R1082-R1086 WeakPolarHBondContact O-CB 3.37Å; R1082-R1086 PolarHBondContact O-N 3.17Å |
| 1083 | H | 91.5 | Very high | 88.6 | Confident | 68 Ų | 68 | 51 Ų | 51 | 32% | 0.315 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -76.2 | -55 | 172.9 | 178 | 65.6 | 0 | 0 | 0 | 111.6 | T1079 W1080 I1081 L1085 R1086 I1087 | T1079-H1083 WeakPolarHBondContact O-CB 3.29Å; T1079-H1083 PolarHBondContact O-N 3.25Å; W1080-H1083 WeakPolarHBondContact O-CB 3.47Å; W1080-H1083 PolarHBondContact O-N 3.38Å; W1080-H1083 VanDerWaalsContact O-N 3.15Å; I1081-H1083 PolarHBondContact O-N 2.93Å; H1083-L1085 VanDerWaalsContact C-N 3.33Å; H1083-L1085 PolarHBondContact O-N 3.41Å; H1083-R1086 WeakPolarHBondContact O-CB 3.16Å; H1083-R1086 PolarHBondContact O-N 2.9Å; H1083-I1087 PolarHBondContact O-N 2.84Å; H1083-I1087 VanDerWaalsContact O-N 3.14Å |
| 1084 | F | 90.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.1 | -35 | -178.2 | -62.5 | -47.3 | 0 | 0 | 0 | 112.5 | L1040 F1043 W1080 I1081 R1086 I1087 H1088 D1089 L1093 L1096 | L1040-F1084 HydrophobicContact CD2-CE1 3.83Å; L1040-F1084 HydrophobicContact CD2-CZ 3.77Å; F1043-F1084 HydrophobicContact CB-CZ 4.46Å; F1043-F1084 HydrophobicContact CD2-CE2 4.33Å; F1043-F1084 HydrophobicContact CG-CE2 4.47Å; F1043-F1084 HydrophobicContact CG-CZ 4.41Å; W1080-F1084 HydrophobicContact CB-CE2 4.33Å; W1080-F1084 HydrophobicContact CE3-CE1 4.5Å; W1080-F1084 HydrophobicContact CE3-CE2 4Å; W1080-F1084 AromaticContact CE3-CZ 3.76Å; W1080-F1084 HydrophobicContact CE3-CZ 3.76Å; W1080-F1084 HydrophobicContact CZ3-CZ 4.16Å; W1080-F1084 VanDerWaalsContact O-CD2 3.31Å; W1080-F1084 WeakPolarHBondContact O-CD2 3.29Å; W1080-F1084 PolarHBondContact O-N 2.83Å; I1081-F1084 PolarHBondContact O-N 3.09Å; F1084-R1086 VanDerWaalsContact C-N 3.33Å; F1084-R1086 PolarHBondContact O-N 3.38Å; F1084-I1087 HydrophobicContact CD1-CD1 4.15Å; F1084-I1087 PolarHBondContact O-N 2.87Å; F1084-H1088 PolarHBondContact O-N 3.36Å; F1084-D1089 HydrophobicContact CB-CB 4.49Å; F1084-D1089 HydrophobicContact CD1-CB 4.42Å; F1084-D1089 PolarHBondContact O-N 2.78Å; F1084-L1093 HydrophobicContact CB-CD1 4.47Å; F1084-L1093 HydrophobicContact CB-CD2 3.78Å; F1084-L1093 HydrophobicContact CB-CG 3.69Å; F1084-L1096 HydrophobicContact CD2-CD1 3.97Å; F1084-L1096 HydrophobicContact CE2-CD1 3.93Å |
| 1085 | L | 90.5 | Very high | 89.8 | Confident | 65 Ų | 65 | 48.2 Ų | 48.2 | 34% | 0.34 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.2 | -38.7 | 169.1 | -77.7 | 170.1 | 0 | 0 | 0 | 113 | I1081 H1083 H1088 L1093 Y1232 | I1081-L1085 HydrophobicContact CG2-CD1 3.72Å; I1081-L1085 HydrophobicContact CG2-CG 4.36Å; I1081-L1085 VanDerWaalsContact O-CB 3.3Å; I1081-L1085 WeakPolarHBondContact O-CB 3.19Å; I1081-L1085 VanDerWaalsContact O-CG 3.31Å; I1081-L1085 WeakPolarHBondContact O-CG 3.49Å; I1081-L1085 PolarHBondContact O-N 3.15Å; H1083-L1085 VanDerWaalsContact C-N 3.33Å; H1083-L1085 PolarHBondContact O-N 3.41Å; L1085-H1088 PolarHBondContact O-N 3.41Å; L1085-L1093 HydrophobicContact CD2-CD1 3.7Å; L1085-L1093 HydrophobicContact CG-CD1 3.99Å; L1085-L1093 HydrophobicContact CG-CD2 4.19Å; L1085-Y1232 HydrophobicContact CD2-CE1 3.83Å |
| 1086 | R | 89.5 | Confident | 90.3 | Very high | 196 Ų | 196 | 45.9 Ų | 45.9 | 74% | 0.74 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -71.8 | -29.3 | -179.1 | -174.8 | -174.4 | -61.1 | 172.7 | -0.4 | 112.8 | R1082 H1083 F1084 | R1082-R1086 WeakPolarHBondContact O-CB 3.37Å; R1082-R1086 PolarHBondContact O-N 3.17Å; H1083-R1086 WeakPolarHBondContact O-CB 3.16Å; H1083-R1086 PolarHBondContact O-N 2.9Å; F1084-R1086 VanDerWaalsContact C-N 3.33Å; F1084-R1086 PolarHBondContact O-N 3.38Å |
| 1087 | I | 86.5 | Confident | 90.4 | Very high | 82 Ų | 82 | 43 Ų | 43 | 42% | 0.421 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 3.3 | 173.6 | 66.2 | 164.5 | 0 | 0 | 0 | 113 | H1083 F1084 D1089 | H1083-I1087 PolarHBondContact O-N 2.84Å; H1083-I1087 VanDerWaalsContact O-N 3.14Å; F1084-I1087 HydrophobicContact CD1-CD1 4.15Å; F1084-I1087 PolarHBondContact O-N 2.87Å; I1087-D1089 HydrophobicContact CD1-CB 3.77Å; I1087-D1089 HydrophobicContact CG1-CB 3.78Å; I1087-D1089 PolarHBondContact O-N 3.16Å |
| 1088 | H | 87 | Confident | 90.5 | Very high | 153 Ų | 153 | 43 Ų | 43 | 71% | 0.708 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 28 | -177 | -59.4 | -76 | 0 | 0 | 0 | 115.3 | F1084 L1085 V1090 | F1084-H1088 PolarHBondContact O-N 3.36Å; L1085-H1088 PolarHBondContact O-N 3.41Å; H1088-V1090 PolarHBondContact O-N 2.88Å; H1088-V1090 VanDerWaalsContact O-N 3.07Å |
| 1089 | D | 90 | Very high | 90.8 | Very high | 10 Ų | 10 | 41.2 Ų | 41.2 | 5% | 0.053 | 19% | 0.187 | C | C | . | . | trans | -82.2 | 85.9 | 179.8 | -175.3 | -12.5 | 0 | 0 | 0 | 111.2 | R1037 F1084 I1087 Q1091 S1092 L1093 | R1037-D1089 IonicContact CZ-OD2 2.98Å; R1037-D1089 IonicContact NH1-OD2 2.7Å; R1037-D1089 PolarHBondContact NH1-OD2 3.34Å; R1037-D1089 IonicContact NH2-OD2 3.62Å; R1037-D1089 PolarHBondContact NH2-OD2 3.44Å; F1084-D1089 HydrophobicContact CB-CB 4.49Å; F1084-D1089 HydrophobicContact CD1-CB 4.42Å; F1084-D1089 PolarHBondContact O-N 2.78Å; I1087-D1089 HydrophobicContact CD1-CB 3.77Å; I1087-D1089 HydrophobicContact CG1-CB 3.78Å; I1087-D1089 PolarHBondContact O-N 3.16Å; D1089-Q1091 VanDerWaalsContact C-N 3.32Å; D1089-Q1091 PolarHBondContact OD1-N 3.25Å; D1089-S1092 VanDerWaalsContact CG-CB 3.45Å; D1089-S1092 WeakPolarHBondContact OD1-CB 3.47Å; D1089-S1092 PolarHBondContact OD1-N 2.96Å; D1089-S1092 PolarHBondContact OD1-OG 3.12Å; D1089-S1092 VanDerWaalsContact OD1-OG 3.12Å; D1089-S1092 VanDerWaalsContact OD2-CB 3.31Å; D1089-S1092 WeakPolarHBondContact OD2-CB 3.42Å; D1089-S1092 PolarHBondContact OD2-OG 2.89Å; D1089-L1093 WeakPolarHBondContact O-CG 3.49Å; D1089-L1093 PolarHBondContact O-N 3.02Å; D1089-L1093 VanDerWaalsContact O-N 3.1Å | ||
| 1090 | V | 90.1 | Very high | 90.7 | Very high | 34 Ų | 34 | 38.6 Ų | 38.6 | 21% | 0.206 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.8 | -31.6 | 179.8 | -165.4 | 0 | 0 | 0 | 0 | 112 | H1088 S1092 L1093 A1094 Y1232 V1235 | H1088-V1090 PolarHBondContact O-N 2.88Å; H1088-V1090 VanDerWaalsContact O-N 3.07Å; V1090-S1092 PolarHBondContact O-N 2.84Å; V1090-L1093 PolarHBondContact O-N 3.34Å; V1090-A1094 WeakPolarHBondContact O-CB 3.23Å; V1090-A1094 PolarHBondContact O-N 3.06Å; V1090-Y1232 WeakPolarHBondContact CG1-O 3.32Å; V1090-V1235 HydrophobicContact CG1-CB 3.96Å; V1090-V1235 HydrophobicContact CG1-CG1 3.91Å; V1090-V1235 HydrophobicContact CG2-CG1 4.23Å |
| 1091 | Q | 91.4 | Very high | 90.4 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 2% | 0.023 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.1 | -47.1 | 177 | 178.1 | 172.3 | 31.3 | 0 | 0 | 110.5 | D1007 Y1014 D1089 M1095 Y1236 | D1007-Q1091 PolarHBondContact O-NE2 3.37Å; Y1014-Q1091 HydrophobicContact CE2-CG 4.43Å; D1089-Q1091 VanDerWaalsContact C-N 3.32Å; D1089-Q1091 PolarHBondContact OD1-N 3.25Å; Q1091-M1095 WeakPolarHBondContact O-CG 3.32Å; Q1091-M1095 PolarHBondContact O-N 3Å; Q1091-Y1236 HydrophobicContact CB-CD2 4.21Å; Q1091-Y1236 HydrophobicContact CB-CE2 3.84Å; Q1091-Y1236 HydrophobicContact CG-CE2 3.76Å |
| 1092 | S | 91.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -75 | -32.2 | 178.1 | -57.4 | 0 | 0 | 0 | 0 | 113.2 | L1040 D1089 V1090 M1095 L1096 | L1040-S1092 WeakPolarHBondContact CD2-OG 3.4Å; D1089-S1092 VanDerWaalsContact CG-CB 3.45Å; D1089-S1092 WeakPolarHBondContact OD1-CB 3.47Å; D1089-S1092 PolarHBondContact OD1-N 2.96Å; D1089-S1092 PolarHBondContact OD1-OG 3.12Å; D1089-S1092 VanDerWaalsContact OD1-OG 3.12Å; D1089-S1092 VanDerWaalsContact OD2-CB 3.31Å; D1089-S1092 WeakPolarHBondContact OD2-CB 3.42Å; D1089-S1092 PolarHBondContact OD2-OG 2.89Å; V1090-S1092 PolarHBondContact O-N 2.84Å; S1092-M1095 PolarHBondContact O-N 3.45Å; S1092-L1096 WeakPolarHBondContact O-CB 3.19Å; S1092-L1096 PolarHBondContact O-N 3.32Å |
| 1093 | L | 92.7 | Very high | 89.8 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 170.6 | -77 | 167.8 | 0 | 0 | 0 | 111.9 | I1081 F1084 L1085 D1089 V1090 M1095 L1096 V1097 Y1232 | I1081-L1093 HydrophobicContact CG2-CD2 4.31Å; F1084-L1093 HydrophobicContact CB-CD1 4.47Å; F1084-L1093 HydrophobicContact CB-CD2 3.78Å; F1084-L1093 HydrophobicContact CB-CG 3.69Å; L1085-L1093 HydrophobicContact CD2-CD1 3.7Å; L1085-L1093 HydrophobicContact CG-CD1 3.99Å; L1085-L1093 HydrophobicContact CG-CD2 4.19Å; D1089-L1093 WeakPolarHBondContact O-CG 3.49Å; D1089-L1093 PolarHBondContact O-N 3.02Å; D1089-L1093 VanDerWaalsContact O-N 3.1Å; V1090-L1093 PolarHBondContact O-N 3.34Å; L1093-M1095 PolarHBondContact O-N 2.94Å; L1093-L1096 PolarHBondContact O-N 2.91Å; L1093-V1097 WeakPolarHBondContact O-CB 3.47Å; L1093-V1097 VanDerWaalsContact O-CG2 3.31Å; L1093-V1097 WeakPolarHBondContact O-CG2 3.21Å; L1093-V1097 PolarHBondContact O-N 3.17Å; L1093-Y1232 HydrophobicContact CB-CD2 4.26Å; L1093-Y1232 HydrophobicContact CB-CG 4.26Å; L1093-Y1232 HydrophobicContact CD1-CD1 4.35Å; L1093-Y1232 HydrophobicContact CD1-CG 4.39Å; L1093-Y1232 HydrophobicContact CD2-CD2 4.4Å; L1093-Y1232 HydrophobicContact CD2-CE2 4.4Å |
| 1094 | A | 92.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.7 | -43 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1090 V1097 L1098 I1233 Y1236 | V1090-A1094 WeakPolarHBondContact O-CB 3.23Å; V1090-A1094 PolarHBondContact O-N 3.06Å; A1094-V1097 PolarHBondContact O-N 2.59Å; A1094-L1098 PolarHBondContact O-N 2.97Å; A1094-I1233 HydrophobicContact CB-CD1 4.01Å; A1094-Y1236 HydrophobicContact CB-CD1 3.45Å; A1094-Y1236 VanDerWaalsContact CB-CD1 3.45Å; A1094-Y1236 HydrophobicContact CB-CE1 4.3Å; A1094-Y1236 HydrophobicContact CB-CG 3.94Å |
| 1095 | M | 93.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.3 | -39.1 | 176.4 | -63.9 | -55.1 | -65.9 | 0 | 0 | 112.7 | Y1014 S1015 L1016 N1028 W1044 Q1091 S1092 L1093 V1097 L1098 V1099 | Y1014-M1095 HydrophobicContact CD2-CE 4.14Å; Y1014-M1095 HydrophobicContact CD2-CG 3.78Å; Y1014-M1095 HydrophobicContact CD2-SD 4.02Å; Y1014-M1095 HydrophobicContact CE2-CG 3.71Å; Y1014-M1095 HydrophobicContact CG-CE 4.04Å; Y1014-M1095 HydrophobicContact CG-SD 4.46Å; S1015-M1095 WeakPolarHBondContact O-CE 3.29Å; L1016-M1095 HydrophobicContact CD2-CE 3.99Å; L1016-M1095 HydrophobicContact CD2-SD 3.57Å; L1016-M1095 VanDerWaalsContact CD2-SD 3.57Å; N1028-M1095 VanDerWaalsContact ND2-CE 3.34Å; N1028-M1095 WeakPolarHBondContact ND2-CE 3.5Å; W1044-M1095 HydrophobicContact CH2-CB 4.18Å; W1044-M1095 HydrophobicContact CH2-CE 3.89Å; W1044-M1095 HydrophobicContact CZ2-CB 3.93Å; W1044-M1095 HydrophobicContact CZ2-CE 4.02Å; W1044-M1095 HydrophobicContact CZ2-CG 4.42Å; Q1091-M1095 WeakPolarHBondContact O-CG 3.32Å; Q1091-M1095 PolarHBondContact O-N 3Å; S1092-M1095 PolarHBondContact O-N 3.45Å; L1093-M1095 PolarHBondContact O-N 2.94Å; M1095-V1097 VanDerWaalsContact C-N 3.34Å; M1095-V1097 PolarHBondContact O-N 3.27Å; M1095-L1098 PolarHBondContact O-N 3.49Å; M1095-L1098 HydrophobicContact SD-CD1 4.33Å; M1095-V1099 WeakPolarHBondContact O-CG2 3.27Å; M1095-V1099 PolarHBondContact O-N 3.3Å; M1095-V1099 VanDerWaalsContact O-N 3.14Å |
| 1096 | L | 93.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.7 | -41 | 175.2 | -179.6 | 157.9 | 0 | 0 | 0 | 111.7 | F1043 F1077 W1080 I1081 F1084 S1092 L1093 L1098 V1099 L1100 | F1043-L1096 HydrophobicContact CD2-CD1 4.42Å; F1043-L1096 HydrophobicContact CE2-CB 4.14Å; F1043-L1096 HydrophobicContact CE2-CD1 3.74Å; F1043-L1096 HydrophobicContact CE2-CG 3.86Å; F1043-L1096 HydrophobicContact CZ-CB 3.85Å; F1043-L1096 HydrophobicContact CZ-CD1 4.32Å; F1043-L1096 HydrophobicContact CZ-CG 4Å; F1077-L1096 HydrophobicContact CD1-CD1 4.46Å; F1077-L1096 HydrophobicContact CD1-CD2 4.48Å; F1077-L1096 HydrophobicContact CD1-CG 4.28Å; W1080-L1096 HydrophobicContact CB-CD1 3.49Å; W1080-L1096 VanDerWaalsContact CB-CD1 3.49Å; I1081-L1096 HydrophobicContact CD1-CD2 3.9Å; I1081-L1096 HydrophobicContact CG1-CD1 4.13Å; I1081-L1096 HydrophobicContact CG1-CD2 3.5Å; F1084-L1096 HydrophobicContact CD2-CD1 3.97Å; F1084-L1096 HydrophobicContact CE2-CD1 3.93Å; S1092-L1096 WeakPolarHBondContact O-CB 3.19Å; S1092-L1096 PolarHBondContact O-N 3.32Å; L1093-L1096 PolarHBondContact O-N 2.91Å; L1096-L1098 PolarHBondContact O-N 3.2Å; L1096-V1099 WeakPolarHBondContact O-CB 3.47Å; L1096-V1099 PolarHBondContact O-N 3.42Å; L1096-L1100 HydrophobicContact CD2-CD1 3.56Å; L1096-L1100 HydrophobicContact CD2-CG 4.02Å; L1096-L1100 PolarHBondContact O-N 3.19Å |
| 1097 | V | 90.5 | Very high | 87.1 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 176.5 | 162.8 | 0 | 0 | 0 | 0 | 111.5 | L1093 A1094 M1095 V1099 L1100 Q1101 F1229 Y1232 I1233 W1256 | L1093-V1097 WeakPolarHBondContact O-CB 3.47Å; L1093-V1097 VanDerWaalsContact O-CG2 3.31Å; L1093-V1097 WeakPolarHBondContact O-CG2 3.21Å; L1093-V1097 PolarHBondContact O-N 3.17Å; A1094-V1097 PolarHBondContact O-N 2.59Å; M1095-V1097 VanDerWaalsContact C-N 3.34Å; M1095-V1097 PolarHBondContact O-N 3.27Å; V1097-V1099 VanDerWaalsContact C-N 3.34Å; V1097-V1099 PolarHBondContact O-N 3.08Å; V1097-L1100 PolarHBondContact O-N 3.06Å; V1097-Q1101 WeakPolarHBondContact O-CB 3.48Å; V1097-Q1101 PolarHBondContact O-N 3.34Å; V1097-F1229 HydrophobicContact CG1-CB 3.79Å; V1097-F1229 HydrophobicContact CG1-CD2 4.29Å; V1097-F1229 HydrophobicContact CG1-CG 4.11Å; V1097-F1229 HydrophobicContact CG2-CB 3.91Å; V1097-F1229 HydrophobicContact CG2-CD1 3.62Å; V1097-F1229 HydrophobicContact CG2-CD2 4.21Å; V1097-F1229 HydrophobicContact CG2-CE1 4.16Å; V1097-F1229 HydrophobicContact CG2-CG 3.65Å; V1097-Y1232 HydrophobicContact CG2-CD2 4.13Å; V1097-I1233 HydrophobicContact CB-CD1 4.45Å; V1097-I1233 HydrophobicContact CG1-CD1 4.05Å; V1097-I1233 HydrophobicContact CG1-CG1 3.99Å; V1097-W1256 HydrophobicContact CG1-CE3 3.61Å; V1097-W1256 HydrophobicContact CG1-CH2 3.77Å; V1097-W1256 HydrophobicContact CG1-CZ3 3.15Å |
| 1098 | L | 90.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63 | -37.7 | 175.2 | -66.5 | 174.5 | 0 | 0 | 0 | 112.8 | L1016 T1018 A1094 M1095 L1096 S1102 I1233 L1252 W1256 | L1016-L1098 HydrophobicContact CD2-CD1 3.99Å; T1018-L1098 HydrophobicContact CG2-CB 4.27Å; T1018-L1098 HydrophobicContact CG2-CD2 4.26Å; A1094-L1098 PolarHBondContact O-N 2.97Å; M1095-L1098 PolarHBondContact O-N 3.49Å; M1095-L1098 HydrophobicContact SD-CD1 4.33Å; L1096-L1098 PolarHBondContact O-N 3.2Å; L1098-S1102 WeakPolarHBondContact O-CB 3.35Å; L1098-S1102 PolarHBondContact O-N 2.72Å; L1098-S1102 VanDerWaalsContact O-N 3.1Å; L1098-S1102 PolarHBondContact O-OG 2.86Å; L1098-I1233 HydrophobicContact CG-CD1 4.44Å; L1098-L1252 HydrophobicContact CD1-CD1 4.12Å; L1098-W1256 HydrophobicContact CD2-CB 4.21Å |
| 1099 | V | 91.5 | Very high | 85 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.8 | -49.7 | 175.1 | 167.5 | 0 | 0 | 0 | 0 | 111.2 | L1021 M1024 F1043 W1044 A1047 F1077 M1095 L1096 V1097 Q1101 S1102 L1103 | L1021-V1099 HydrophobicContact CD1-CB 4.48Å; L1021-V1099 HydrophobicContact CD1-CG1 4.36Å; L1021-V1099 HydrophobicContact CD1-CG2 4.18Å; M1024-V1099 HydrophobicContact CE-CG2 3.76Å; F1043-V1099 HydrophobicContact CZ-CG2 4.38Å; W1044-V1099 HydrophobicContact CH2-CG2 4Å; W1044-V1099 HydrophobicContact CZ3-CG2 3.68Å; A1047-V1099 HydrophobicContact CB-CG1 3.99Å; F1077-V1099 HydrophobicContact CE1-CG1 4.1Å; F1077-V1099 HydrophobicContact CZ-CG1 4.26Å; M1095-V1099 WeakPolarHBondContact O-CG2 3.27Å; M1095-V1099 PolarHBondContact O-N 3.3Å; M1095-V1099 VanDerWaalsContact O-N 3.14Å; L1096-V1099 WeakPolarHBondContact O-CB 3.47Å; L1096-V1099 PolarHBondContact O-N 3.42Å; V1097-V1099 VanDerWaalsContact C-N 3.34Å; V1097-V1099 PolarHBondContact O-N 3.08Å; V1099-Q1101 VanDerWaalsContact C-N 3.3Å; V1099-Q1101 PolarHBondContact O-N 3.44Å; V1099-S1102 PolarHBondContact O-N 3.42Å; V1099-L1103 HydrophobicContact CG1-CD1 4.04Å; V1099-L1103 WeakPolarHBondContact O-CG 3.14Å; V1099-L1103 PolarHBondContact O-N 3.35Å |
| 1100 | L | 88.2 | Confident | 83.6 | Confident | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.016 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.6 | -42.7 | 177.8 | -85.1 | 178.7 | 0 | 0 | 0 | 112.4 | F1077 I1081 L1096 V1097 L1103 N1104 F1220 V1221 F1229 | F1077-L1100 HydrophobicContact CB-CD1 4.46Å; F1077-L1100 HydrophobicContact CB-CD2 3.83Å; F1077-L1100 HydrophobicContact CB-CG 4.48Å; F1077-L1100 HydrophobicContact CD1-CD2 3.76Å; F1077-L1100 HydrophobicContact CD1-CG 4.01Å; F1077-L1100 HydrophobicContact CD2-CD2 3.77Å; F1077-L1100 HydrophobicContact CE1-CD2 4.24Å; F1077-L1100 HydrophobicContact CE1-CG 4.47Å; F1077-L1100 HydrophobicContact CE2-CD2 4.24Å; F1077-L1100 HydrophobicContact CG-CD2 3.51Å; F1077-L1100 HydrophobicContact CG-CG 4.22Å; F1077-L1100 HydrophobicContact CZ-CD2 4.47Å; I1081-L1100 HydrophobicContact CD1-CD1 4.01Å; L1096-L1100 HydrophobicContact CD2-CD1 3.56Å; L1096-L1100 HydrophobicContact CD2-CG 4.02Å; L1096-L1100 PolarHBondContact O-N 3.19Å; V1097-L1100 PolarHBondContact O-N 3.06Å; L1100-L1103 PolarHBondContact O-N 3.31Å; L1100-N1104 PolarHBondContact O-N 2.85Å; L1100-F1220 HydrophobicContact CD2-CB 4.14Å; L1100-F1220 HydrophobicContact CD2-CD1 4.32Å; L1100-V1221 HydrophobicContact CB-CG2 3.98Å; L1100-F1229 HydrophobicContact CD1-CE2 4.17Å; L1100-F1229 HydrophobicContact CD1-CZ 3.92Å |
| 1101 | Q | 83.5 | Confident | 81.8 | Confident | 7 Ų | 7 | 20.7 Ų | 20.7 | 3% | 0.033 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.3 | -40.1 | -179.1 | -155.2 | -172.6 | 22.7 | 0 | 0 | 111.8 | V1097 V1099 N1104 R1105 W1256 N1259 | V1097-Q1101 WeakPolarHBondContact O-CB 3.48Å; V1097-Q1101 PolarHBondContact O-N 3.34Å; V1099-Q1101 VanDerWaalsContact C-N 3.3Å; V1099-Q1101 PolarHBondContact O-N 3.44Å; Q1101-N1104 WeakPolarHBondContact O-CB 3.43Å; Q1101-N1104 PolarHBondContact O-N 3.46Å; Q1101-R1105 PolarHBondContact O-N 3.29Å; Q1101-R1105 VanDerWaalsContact O-N 3.11Å; Q1101-W1256 HydrophobicContact CB-CZ3 4.36Å; Q1101-W1256 VanDerWaalsContact CD-CE3 3.4Å; Q1101-W1256 HydrophobicContact CG-CZ3 4.12Å; Q1101-W1256 PolarHBondContact NE2-O 3.45Å; Q1101-N1259 HydrophobicContact CG-CB 3.76Å; Q1101-N1259 PolarHBondContact OE1-ND2 3.1Å |
| 1102 | S | 85.4 | Confident | 79.7 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.4 | -38.1 | 175.3 | -55 | 0 | 0 | 0 | 0 | 112 | L1098 V1099 N1104 R1105 I1106 | L1098-S1102 WeakPolarHBondContact O-CB 3.35Å; L1098-S1102 PolarHBondContact O-N 2.72Å; L1098-S1102 VanDerWaalsContact O-N 3.1Å; L1098-S1102 PolarHBondContact O-OG 2.86Å; V1099-S1102 PolarHBondContact O-N 3.42Å; S1102-N1104 VanDerWaalsContact C-N 3.34Å; S1102-R1105 PolarHBondContact O-N 2.98Å; S1102-I1106 VanDerWaalsContact O-CG1 3.29Å; S1102-I1106 WeakPolarHBondContact O-CG1 3.31Å; S1102-I1106 PolarHBondContact O-N 3.49Å |
| 1103 | L | 85.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.3 | -39.5 | 171.4 | -73.1 | 171.3 | 0 | 0 | 0 | 112 | L1021 M1050 L1054 F1077 V1099 L1100 I1106 N1107 F1220 | L1021-L1103 HydrophobicContact CD2-CD2 3.53Å; L1021-L1103 HydrophobicContact CD2-CG 3.71Å; M1050-L1103 HydrophobicContact CB-CD1 4.45Å; M1050-L1103 HydrophobicContact CB-CD2 4.37Å; M1050-L1103 HydrophobicContact CE-CD1 4.44Å; M1050-L1103 HydrophobicContact CE-CD2 4.07Å; L1054-L1103 HydrophobicContact CD2-CB 4.43Å; L1054-L1103 HydrophobicContact CD2-CD2 3.81Å; L1054-L1103 WeakPolarHBondContact CD2-O 3.41Å; F1077-L1103 HydrophobicContact CE1-CD1 4.46Å; F1077-L1103 HydrophobicContact CE2-CD1 3.71Å; F1077-L1103 HydrophobicContact CZ-CD1 3.49Å; F1077-L1103 VanDerWaalsContact CZ-CD1 3.49Å; V1099-L1103 HydrophobicContact CG1-CD1 4.04Å; V1099-L1103 WeakPolarHBondContact O-CG 3.14Å; V1099-L1103 PolarHBondContact O-N 3.35Å; L1100-L1103 PolarHBondContact O-N 3.31Å; L1103-I1106 PolarHBondContact O-N 2.82Å; L1103-N1107 PolarHBondContact O-N 3.1Å; L1103-F1220 HydrophobicContact CB-CD1 4.48Å; L1103-F1220 HydrophobicContact CB-CD2 4.02Å; L1103-F1220 HydrophobicContact CB-CE2 4.34Å; L1103-F1220 HydrophobicContact CB-CG 4.1Å; L1103-F1220 HydrophobicContact CD1-CD1 4.5Å |
| 1104 | N | 81.1 | Confident | 75.2 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.1 | -47.4 | 176.1 | -154.7 | 90.5 | 0 | 0 | 0 | 111.4 | L1100 Q1101 S1102 I1106 N1107 E1108 R1219 F1220 V1221 N1263 | L1100-N1104 PolarHBondContact O-N 2.85Å; Q1101-N1104 WeakPolarHBondContact O-CB 3.43Å; Q1101-N1104 PolarHBondContact O-N 3.46Å; S1102-N1104 VanDerWaalsContact C-N 3.34Å; N1104-I1106 PolarHBondContact O-N 3.07Å; N1104-N1107 PolarHBondContact O-N 3.01Å; N1104-N1107 VanDerWaalsContact O-N 3.16Å; N1104-E1108 PolarHBondContact ND2-OE1 3.5Å; N1104-E1108 PolarHBondContact ND2-OE2 3.1Å; N1104-E1108 PolarHBondContact O-N 3.23Å; N1104-R1219 WeakPolarHBondContact OD1-CA 3.35Å; N1104-R1219 WeakPolarHBondContact OD1-CB 3.33Å; N1104-F1220 HydrophobicContact CB-CB 4.33Å; N1104-F1220 PolarHBondContact OD1-N 3.24Å; N1104-V1221 HydrophobicContact CB-CG2 4.41Å; N1104-V1221 PolarHBondContact OD1-N 3.05Å; N1104-V1221 VanDerWaalsContact OD1-N 3.11Å; N1104-N1263 PolarHBondContact ND2-ND2 3.35Å |
| 1105 | R | 75.5 | Confident | 72.7 | Confident | 66 Ų | 66 | 43.7 Ų | 43.7 | 25% | 0.249 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.8 | -44.1 | 177.2 | -177.8 | -178.4 | 175.1 | -178.6 | 1.4 | 112.5 | Q1101 S1102 N1107 E1108 L1109 Y1258 | Q1101-R1105 PolarHBondContact O-N 3.29Å; Q1101-R1105 VanDerWaalsContact O-N 3.11Å; S1102-R1105 PolarHBondContact O-N 2.98Å; R1105-N1107 VanDerWaalsContact C-N 3.27Å; R1105-N1107 PolarHBondContact O-N 3.3Å; R1105-E1108 PolarHBondContact O-N 2.98Å; R1105-L1109 HydrophobicContact CG-CD1 4.12Å; R1105-L1109 WeakPolarHBondContact O-CB 3.3Å; R1105-L1109 VanDerWaalsContact O-CG 3.26Å; R1105-L1109 WeakPolarHBondContact O-CG 3.35Å; R1105-L1109 PolarHBondContact O-N 3.03Å; R1105-L1109 VanDerWaalsContact O-N 3.09Å; R1105-Y1258 PolarHBondContact NH1-OH 2.97Å |
| 1106 | I | 76.4 | Confident | 70 | Confident | 51 Ų | 51 | 47.6 Ų | 47.6 | 26% | 0.262 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.8 | -34.4 | 177.4 | -65.8 | 163 | 0 | 0 | 0 | 111.1 | L1021 L1054 S1102 L1103 N1104 | L1021-I1106 HydrophobicContact CB-CD1 4.02Å; L1021-I1106 HydrophobicContact CD2-CD1 3.77Å; L1054-I1106 HydrophobicContact CB-CG2 4.48Å; L1054-I1106 HydrophobicContact CD2-CB 3.82Å; L1054-I1106 HydrophobicContact CD2-CG2 3.64Å; L1054-I1106 HydrophobicContact CG-CG2 3.84Å; S1102-I1106 VanDerWaalsContact O-CG1 3.29Å; S1102-I1106 WeakPolarHBondContact O-CG1 3.31Å; S1102-I1106 PolarHBondContact O-N 3.49Å; L1103-I1106 PolarHBondContact O-N 2.82Å; N1104-I1106 PolarHBondContact O-N 3.07Å |
| 1107 | N | 71.6 | Confident | 67.2 | Low | 14 Ų | 14 | 50.8 Ų | 50.8 | 8% | 0.075 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -75.3 | -44.3 | 178.6 | -152.6 | 27.7 | 0 | 0 | 0 | 112.2 | L1054 L1103 N1104 R1105 L1109 K1110 F1111 S1218 F1220 | L1054-N1107 HydrophobicContact CD1-CB 4.35Å; L1054-N1107 HydrophobicContact CD2-CB 4.31Å; L1103-N1107 PolarHBondContact O-N 3.1Å; N1104-N1107 PolarHBondContact O-N 3.01Å; N1104-N1107 VanDerWaalsContact O-N 3.16Å; R1105-N1107 VanDerWaalsContact C-N 3.27Å; R1105-N1107 PolarHBondContact O-N 3.3Å; N1107-L1109 VanDerWaalsContact C-N 3.35Å; N1107-L1109 PolarHBondContact O-N 3.25Å; N1107-K1110 PolarHBondContact O-N 3.28Å; N1107-F1111 WeakPolarHBondContact O-CD2 3.47Å; N1107-F1111 PolarHBondContact O-N 2.98Å; N1107-S1218 PolarHBondContact ND2-O 3.27Å; N1107-F1220 HydrophobicContact CB-CE2 4.38Å |
| 1108 | E | 67.3 | Low | 64.3 | Low | 34 Ų | 34 | 59.3 Ų | 59.3 | 16% | 0.159 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 178.1 | -73 | 173.9 | 144.5 | 0 | 0 | 111.3 | N1104 R1105 K1110 F1111 D1112 R1219 N1263 | N1104-E1108 PolarHBondContact ND2-OE1 3.5Å; N1104-E1108 PolarHBondContact ND2-OE2 3.1Å; N1104-E1108 PolarHBondContact O-N 3.23Å; R1105-E1108 PolarHBondContact O-N 2.98Å; E1108-K1110 PolarHBondContact O-N 2.98Å; E1108-F1111 PolarHBondContact O-N 2.94Å; E1108-D1112 PolarHBondContact O-N 3.37Å; E1108-R1219 IonicContact OE1-CZ 3.29Å; E1108-R1219 IonicContact OE1-NE 2.74Å; E1108-R1219 PolarHBondContact OE1-NE 3.33Å; E1108-R1219 IonicContact OE1-NH2 2.74Å; E1108-R1219 PolarHBondContact OE1-NH2 2.83Å; E1108-N1263 PolarHBondContact OE2-ND2 3.46Å |
| 1109 | L | 62.6 | Low | 61.7 | Low | 105 Ų | 105 | 65.5 Ų | 65.5 | 55% | 0.55 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.7 | -17.1 | 172.7 | -75.1 | 170.4 | 0 | 0 | 0 | 114.9 | R1105 N1107 | R1105-L1109 HydrophobicContact CG-CD1 4.12Å; R1105-L1109 WeakPolarHBondContact O-CB 3.3Å; R1105-L1109 VanDerWaalsContact O-CG 3.26Å; R1105-L1109 WeakPolarHBondContact O-CG 3.35Å; R1105-L1109 PolarHBondContact O-N 3.03Å; R1105-L1109 VanDerWaalsContact O-N 3.09Å; N1107-L1109 VanDerWaalsContact C-N 3.35Å; N1107-L1109 PolarHBondContact O-N 3.25Å |
| 1110 | K | 60.3 | Low | 58.9 | Low | 53 Ų | 53 | 69.8 Ų | 69.8 | 23% | 0.23 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -91 | -33.8 | 173.6 | -74 | -168.3 | 165.5 | -170.2 | 0 | 112.9 | L1054 G1055 T1057 N1107 E1108 T1113 F1114 | L1054-K1110 WeakPolarHBondContact O-CE 3.3Å; L1054-K1110 PolarHBondContact O-NZ 2.97Å; G1055-K1110 PolarHBondContact O-NZ 3.35Å; T1057-K1110 PolarHBondContact OG1-NZ 2.86Å; N1107-K1110 PolarHBondContact O-N 3.28Å; E1108-K1110 PolarHBondContact O-N 2.98Å; K1110-T1113 PolarHBondContact O-N 3.41Å; K1110-T1113 PolarHBondContact O-OG1 3.31Å; K1110-F1114 WeakPolarHBondContact O-CD2 3.29Å |
| 1111 | F | 53 | Low | 56.3 | Low | 82 Ų | 82 | 76 Ų | 76 | 36% | 0.36 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69.1 | -38.9 | 178.4 | -80.9 | -80.6 | 0 | 0 | 0 | 112.6 | N1107 E1108 T1113 F1114 | N1107-F1111 WeakPolarHBondContact O-CD2 3.47Å; N1107-F1111 PolarHBondContact O-N 2.98Å; E1108-F1111 PolarHBondContact O-N 2.94Å; F1111-T1113 PolarHBondContact O-N 3.48Å; F1111-F1114 PolarHBondContact O-N 2.93Å |
| 1112 | D | 46.3 | Very low | 54 | Low | 125 Ų | 125 | 82.1 Ų | 82.1 | 67% | 0.668 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -19.1 | 177.4 | -67.4 | -14.3 | 0 | 0 | 0 | 113.3 | E1108 | E1108-D1112 PolarHBondContact O-N 3.37Š|
| 1113 | T | 46.1 | Very low | 51.8 | Low | 103 Ų | 103 | 90.6 Ų | 90.6 | 63% | 0.632 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -13 | 177.8 | 70.5 | 0 | 0 | 0 | 0 | 114.5 | K1110 F1111 | K1110-T1113 PolarHBondContact O-N 3.41Å; K1110-T1113 PolarHBondContact O-OG1 3.31Å; F1111-T1113 PolarHBondContact O-N 3.48Å |
| 1114 | F | 44.3 | Very low | 49.4 | Very low | 127 Ų | 127 | 94.6 Ų | 94.6 | 56% | 0.557 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -29.1 | -174.8 | -84.1 | -89 | 0 | 0 | 0 | 114.9 | K1110 F1111 G1116 S1117 | K1110-F1114 WeakPolarHBondContact O-CD2 3.29Å; F1111-F1114 PolarHBondContact O-N 2.93Å; F1114-G1116 PolarHBondContact O-N 3.49Å; F1114-S1117 PolarHBondContact O-N 3.35Å; F1114-S1117 PolarHBondContact O-OG 3.16Å |
| 1115 | D | 40.4 | Very low | 47.1 | Very low | 139 Ų | 139 | 101.3 Ų | 101.3 | 74% | 0.743 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -5.9 | -174.8 | -83.4 | -14.3 | 0 | 0 | 0 | 114 | S1117 | D1115-S1117 VanDerWaalsContact C-N 3.28Å; D1115-S1117 PolarHBondContact O-N 2.95Å |
| 1116 | G | 37.5 | Very low | 45.1 | Very low | 83 Ų | 83 | 104.8 Ų | 104.8 | 86% | 0.856 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -1.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | F1114 | F1114-G1116 PolarHBondContact O-N 3.49Š|
| 1117 | S | 34.1 | Very low | 43.2 | Very low | 66 Ų | 66 | 105.9 Ų | 105.9 | 46% | 0.462 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -128.7 | 117.7 | -173.7 | 68.4 | 0 | 0 | 0 | 0 | 114.8 | F1114 D1115 I1119 | F1114-S1117 PolarHBondContact O-N 3.35Å; F1114-S1117 PolarHBondContact O-OG 3.16Å; D1115-S1117 VanDerWaalsContact C-N 3.28Å; D1115-S1117 PolarHBondContact O-N 2.95Å; S1117-I1119 PolarHBondContact O-N 2.9Å |
| 1118 | N | 29.6 | Very low | 41.4 | Very low | 181 Ų | 181 | 110 Ų | 110 | 97% | 0.968 | 60% | 0.601 | S | S | * | * | trans | -69 | 95.8 | 176.8 | -73.2 | -51.2 | 0 | 0 | 0 | 111.7 | ||||
| 1119 | I | 36.5 | Very low | 39.8 | Very low | 130 Ų | 130 | 113.6 Ų | 113.6 | 67% | 0.667 | 63% | 0.625 | S | S | * | * | trans | -107.9 | 124.4 | 173.1 | -59.8 | 179.9 | 0 | 0 | 0 | 109.7 | S1117 | S1117-I1119 PolarHBondContact O-N 2.9Š| ||
| 1120 | S | 31.9 | Very low | 38.5 | Very low | 90 Ų | 90 | 112 Ų | 112 | 63% | 0.629 | 62% | 0.623 | S | S | * | * | trans | -74 | 128.7 | -171.6 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | N1122 | S1120-N1122 VanDerWaalsContact C-N 3.25Å; S1120-N1122 PolarHBondContact O-N 2.9Å; S1120-N1122 VanDerWaalsContact O-N 3.15Å | ||
| 1121 | L | 34.5 | Very low | 37 | Very low | 132 Ų | 132 | 114.7 Ų | 114.7 | 69% | 0.691 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -61.4 | -20.6 | -174.7 | -80.7 | 154.3 | 0 | 0 | 0 | 115.8 | K1123 L1124 | L1121-K1123 PolarHBondContact O-N 3.17Å; L1121-L1124 PolarHBondContact O-N 2.94Å |
| 1122 | N | 34.9 | Very low | 35.9 | Very low | 137 Ų | 137 | 115 Ų | 115 | 73% | 0.733 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 21 | -170.4 | -52.9 | 31.8 | 0 | 0 | 0 | 115.8 | S1120 | S1120-N1122 VanDerWaalsContact C-N 3.25Å; S1120-N1122 PolarHBondContact O-N 2.9Å; S1120-N1122 VanDerWaalsContact O-N 3.15Å |
| 1123 | K | 38.5 | Very low | 35.2 | Very low | 181 Ų | 181 | 113.2 Ų | 113.2 | 79% | 0.787 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | -12.5 | 174.1 | -81.3 | -174.2 | 174.5 | 179.2 | 0 | 114.5 | L1121 | L1121-K1123 PolarHBondContact O-N 3.17Š|
| 1124 | L | 35.2 | Very low | 34.6 | Very low | 83 Ų | 83 | 112.6 Ų | 112.6 | 44% | 0.435 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -82.3 | -27.1 | -174.6 | -137.3 | 73.6 | 0 | 0 | 0 | 113.6 | L1121 N1126 T1127 I1210 | L1121-L1124 PolarHBondContact O-N 2.94Å; L1124-N1126 PolarHBondContact O-N 2.82Å; L1124-N1126 VanDerWaalsContact O-N 3.12Å; L1124-T1127 PolarHBondContact O-N 3.47Å; L1124-T1127 PolarHBondContact O-OG1 3.47Å; L1124-I1210 HydrophobicContact CD2-CD1 4.1Å |
| 1125 | E | 33.6 | Very low | 33.8 | Very low | 146 Ų | 146 | 111.7 Ų | 111.7 | 68% | 0.682 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -55.1 | -34.5 | -176.2 | -62.7 | -179.1 | 132.1 | 0 | 0 | 113.2 | T1127 T1128 | E1125-T1127 PolarHBondContact O-N 3.11Å; E1125-T1128 PolarHBondContact O-N 3.31Å; E1125-T1128 PolarHBondContact O-OG1 2.83Å |
| 1126 | N | 32.4 | Very low | 33.3 | Very low | 139 Ų | 139 | 110.7 Ų | 110.7 | 74% | 0.743 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -72.1 | -3.8 | 178.9 | -71.1 | -30.5 | 0 | 0 | 0 | 115.3 | L1124 | L1124-N1126 PolarHBondContact O-N 2.82Å; L1124-N1126 VanDerWaalsContact O-N 3.12Å |
| 1127 | T | 36.7 | Very low | 32.8 | Very low | 73 Ų | 73 | 115.3 Ų | 115.3 | 45% | 0.448 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -99.1 | -14 | 176.7 | 57.2 | 0 | 0 | 0 | 0 | 113.8 | L1124 E1125 T1129 S1130 L1131 | L1124-T1127 PolarHBondContact O-N 3.47Å; L1124-T1127 PolarHBondContact O-OG1 3.47Å; E1125-T1127 PolarHBondContact O-N 3.11Å; T1127-T1129 PolarHBondContact O-N 2.89Å; T1127-S1130 PolarHBondContact O-N 3.06Å; T1127-S1130 PolarHBondContact O-OG 2.94Å; T1127-L1131 WeakPolarHBondContact O-CD1 3.43Å |
| 1128 | T | 33 | Very low | 32.6 | Very low | 100 Ų | 100 | 118.7 Ų | 118.7 | 61% | 0.613 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -23.1 | -177.9 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | E1125 | E1125-T1128 PolarHBondContact O-N 3.31Å; E1125-T1128 PolarHBondContact O-OG1 2.83Å |
| 1129 | T | 35.6 | Very low | 32.5 | Very low | 110 Ų | 110 | 116.5 Ų | 116.5 | 68% | 0.675 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -20.1 | -178.6 | 49.6 | 0 | 0 | 0 | 0 | 114.1 | T1127 S1132 | T1127-T1129 PolarHBondContact O-N 2.89Å; T1129-S1132 PolarHBondContact O-OG 3.49Å |
| 1130 | S | 33.7 | Very low | 32.1 | Very low | 73 Ų | 73 | 115.7 Ų | 115.7 | 51% | 0.51 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.6 | -24.8 | -179.1 | 61.8 | 0 | 0 | 0 | 0 | 114.3 | T1127 S1132 S1133 | T1127-S1130 PolarHBondContact O-N 3.06Å; T1127-S1130 PolarHBondContact O-OG 2.94Å; S1130-S1132 PolarHBondContact O-N 3.16Å; S1130-S1133 PolarHBondContact O-OG 2.71Å |
| 1131 | L | 30.1 | Very low | 31.9 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 57% | 0.571 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -72.7 | -12.6 | -179.8 | -85 | 78.7 | 0 | 0 | 0 | 114.1 | T1127 S1133 V1134 | T1127-L1131 WeakPolarHBondContact O-CD1 3.43Å; L1131-S1133 PolarHBondContact O-N 3.22Å; L1131-V1134 PolarHBondContact O-N 3.22Å |
| 1132 | S | 30.1 | Very low | 31.4 | Very low | 88 Ų | 88 | 120.7 Ų | 120.7 | 62% | 0.615 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -55.8 | -19.6 | 175.6 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | T1129 S1130 | T1129-S1132 PolarHBondContact O-OG 3.49Å; S1130-S1132 PolarHBondContact O-N 3.16Å |
| 1133 | S | 30.8 | Very low | 30.9 | Very low | 88 Ų | 88 | 121.6 Ų | 121.6 | 62% | 0.615 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -89.6 | -10.8 | 179.1 | 60.9 | 0 | 0 | 0 | 0 | 115.3 | S1130 L1131 | S1130-S1133 PolarHBondContact O-OG 2.71Å; L1131-S1133 PolarHBondContact O-N 3.22Å |
| 1134 | V | 33.2 | Very low | 30.3 | Very low | 89 Ų | 89 | 119 Ų | 119 | 54% | 0.539 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.8 | -16 | -171.5 | -175.5 | 0 | 0 | 0 | 0 | 113 | L1131 N1136 F1137 | L1131-V1134 PolarHBondContact O-N 3.22Å; V1134-N1136 PolarHBondContact O-N 3.4Å; V1134-N1136 VanDerWaalsContact O-N 3.08Å; V1134-F1137 PolarHBondContact O-N 3.29Å; V1134-F1137 VanDerWaalsContact O-N 3.13Å |
| 1135 | N | 28.8 | Very low | 29.9 | Very low | 109 Ų | 109 | 123.7 Ų | 123.7 | 58% | 0.583 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -57.5 | -26.6 | -179.7 | -73.3 | -23 | 0 | 0 | 0 | 113.7 | F1137 L1138 | N1135-F1137 PolarHBondContact O-N 3.11Å; N1135-F1137 VanDerWaalsContact O-N 3.14Å; N1135-L1138 PolarHBondContact O-N 3.23Å |
| 1136 | N | 28.3 | Very low | 29.5 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 63% | 0.626 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -67.5 | -10.3 | 179.7 | -64.4 | 20.8 | 0 | 0 | 0 | 114.1 | V1134 | V1134-N1136 PolarHBondContact O-N 3.4Å; V1134-N1136 VanDerWaalsContact O-N 3.08Å |
| 1137 | F | 28.4 | Very low | 29.2 | Very low | 181 Ų | 181 | 124.6 Ų | 124.6 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -89.8 | -4.7 | 175.7 | -110.2 | -82.2 | 0 | 0 | 0 | 114.5 | V1134 N1135 | V1134-F1137 PolarHBondContact O-N 3.29Å; V1134-F1137 VanDerWaalsContact O-N 3.13Å; N1135-F1137 PolarHBondContact O-N 3.11Å; N1135-F1137 VanDerWaalsContact O-N 3.14Å |
| 1138 | L | 29.4 | Very low | 28.8 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 71% | 0.712 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -17.4 | 176.7 | -96.1 | 148.9 | 0 | 0 | 0 | 113.6 | N1135 T1140 | N1135-L1138 PolarHBondContact O-N 3.23Å; L1138-T1140 VanDerWaalsContact C-N 3.32Å; L1138-T1140 PolarHBondContact O-N 3.39Å |
| 1139 | E | 27.1 | Very low | 28.4 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 63% | 0.631 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -72.2 | -24.7 | 179.7 | -60.9 | -169.9 | 128.6 | 0 | 0 | 112.9 | Y1141 S1142 | E1139-Y1141 PolarHBondContact O-N 3.26Å; E1139-S1142 PolarHBondContact O-N 3.47Å |
| 1140 | T | 28.1 | Very low | 28.1 | Very low | 114 Ų | 114 | 130 Ų | 130 | 70% | 0.699 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -74.6 | -4.6 | -172.6 | -7.7 | 0 | 0 | 0 | 0 | 115.3 | L1138 | L1138-T1140 VanDerWaalsContact C-N 3.32Å; L1138-T1140 PolarHBondContact O-N 3.39Å |
| 1141 | Y | 27.4 | Very low | 27.8 | Very low | 229 Ų | 229 | 133 Ų | 133 | 90% | 0.898 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -110.1 | 3.6 | 179.1 | -112.7 | -85.7 | 0 | 0 | 0 | 114.5 | E1139 | E1139-Y1141 PolarHBondContact O-N 3.26Š|
| 1142 | S | 25 | Very low | 27.6 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 69% | 0.685 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -117.8 | 5.5 | -170 | -59.1 | 0 | 0 | 0 | 0 | 115.5 | E1139 | E1139-S1142 PolarHBondContact O-N 3.47Š|
| 1143 | L | 24.1 | Very low | 27.4 | Very low | 155 Ų | 155 | 137 Ų | 137 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | trans | -127.1 | 88.9 | -176.6 | -81.8 | 169.2 | 0 | 0 | 0 | 113.7 | ||||
| 1144 | C | 25.3 | Very low | 27.3 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 86% | 0.858 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -142.3 | 80.2 | 151.8 | -93.1 | 0 | 0 | 0 | 0 | 109.5 | ||
| 1145 | H | 26.3 | Very low | 26.9 | Very low | 181 Ų | 181 | 143.2 Ų | 143.2 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | trans | 58.8 | 96.4 | 165.9 | -75.5 | -74.8 | 0 | 0 | 0 | 120.4 | ||||
| 1146 | M | 25.9 | Very low | 26.6 | Very low | 168 Ų | 168 | 143.4 Ų | 143.4 | 83% | 0.828 | 74% | 0.742 | S | S | * | * | trans | -71.3 | 153.2 | 134.3 | -69.8 | -75.2 | 178.4 | 0 | 0 | 110.6 | ||||
| 1147 | N | 25.7 | Very low | 26.5 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | 177.9 | 145.6 | 128.9 | -92.5 | 18.9 | 0 | 0 | 0 | 106.9 | |||||
| 1148 | E | 28 | Very low | 26.4 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | cis | -151.7 | 142.9 | 11.1 | -138.9 | 158.8 | -110.9 | 0 | 0 | 110.9 | ||||
| 1149 | S | 26.1 | Very low | 26.1 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | 46.6 | 144.2 | 147.8 | 71.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1150 | E | 27.5 | Very low | 26.1 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 67% | 0.668 | 74% | 0.741 | S | S | * | * | cis | -162.5 | 167 | 18 | -143.4 | -171.7 | 163.3 | 0 | 0 | 111.6 | ||||
| 1151 | K | 28.8 | Very low | 25.9 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 59% | 0.587 | 73% | 0.733 | S | S | * | * | trans | 60.4 | 80.7 | 163.5 | -71.1 | 145.6 | -175.1 | 151.1 | 0 | 116.7 | ||||
| 1152 | T | 24.5 | Very low | 25.8 | Very low | 126 Ų | 126 | 128 Ų | 128 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | 56.9 | 105.5 | 77.7 | 75.5 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1153 | I | 27.7 | Very low | 25.7 | Very low | 156 Ų | 156 | 128.2 Ų | 128.2 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | trans | -164.2 | 141.8 | 139.9 | -103.1 | 154.2 | 0 | 0 | 0 | 107.9 | ||||
| 1154 | N | 27.2 | Very low | 25.7 | Very low | 149 Ų | 149 | 126 Ų | 126 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | trans | 59.8 | 103.1 | 172.5 | -61.6 | -6 | 0 | 0 | 0 | 119.5 | ||||
| 1155 | L | 24.8 | Very low | 25.7 | Very low | 159 Ų | 159 | 125.6 Ų | 125.6 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | trans | -67.4 | 172.7 | 138.8 | -86.6 | 72.3 | 0 | 0 | 0 | 110 | ||||
| 1156 | L | 23.5 | Very low | 25.6 | Very low | 112 Ų | 112 | 124.4 Ų | 124.4 | 59% | 0.586 | 73% | 0.726 | S | S | * | * | trans | 69.7 | 126.5 | -174.8 | -60 | 99.4 | 0 | 0 | 0 | 114 | ||||
| 1157 | G | 25.6 | Very low | 25.5 | Very low | 63 Ų | 63 | 125.6 Ų | 125.6 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | trans | 162.5 | -23 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1159 | G1157-N1159 PolarHBondContact O-N 3.45Š| ||
| 1158 | C | 26 | Very low | 25.4 | Very low | 136 Ų | 136 | 125.7 Ų | 125.7 | 92% | 0.919 | 73% | 0.725 | S | S | * | * | trans | -76.8 | 54.1 | 168.6 | -170.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1159 | N | 23.1 | Very low | 25.3 | Very low | 84 Ų | 84 | 124.7 Ų | 124.7 | 45% | 0.449 | 72% | 0.721 | S | S | . | * | trans | -146.9 | 96.9 | 173.9 | -95.8 | -17.9 | 0 | 0 | 0 | 109.8 | G1157 L1203 | G1157-N1159 PolarHBondContact O-N 3.45Å; N1159-L1203 PolarHBondContact ND2-O 3.24Å | ||
| 1160 | T | 27.7 | Very low | 25.2 | Very low | 119 Ų | 119 | 123.5 Ų | 123.5 | 73% | 0.73 | 72% | 0.717 | S | S | * | * | 31 | 107 | 127.6 | 58.1 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 1161 | V | 23.5 | Very low | 25 | Very low | 88 Ų | 88 | 119.6 Ų | 119.6 | 53% | 0.533 | 71% | 0.705 | S | S | . | * | -128.6 | 132.5 | 128.1 | -178.2 | 0 | 0 | 0 | 0 | 107.1 | I1200 | V1161-I1200 VanDerWaalsContact CG2-O 3.25Å; V1161-I1200 WeakPolarHBondContact CG2-O 3.25Å | |||
| 1162 | A | 24.7 | Very low | 25 | Very low | 99 Ų | 99 | 123 Ų | 123 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | trans | -81.2 | 123.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1163 | S | 23.1 | Very low | 25.1 | Very low | 103 Ų | 103 | 121.6 Ų | 121.6 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | trans | -155.7 | 121.7 | 159.6 | -53.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1164 | S | 24.2 | Very low | 25.2 | Very low | 109 Ų | 109 | 117.9 Ų | 117.9 | 76% | 0.762 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 26.5 | 139.4 | 148.6 | 46.7 | 0 | 0 | 0 | 0 | 122 | ||
| 1165 | S | 25 | Very low | 25.2 | Very low | 118 Ų | 118 | 112.5 Ų | 112.5 | 83% | 0.825 | 66% | 0.664 | S | S | * | * | trans | 89.3 | 21.2 | 170.1 | 77.3 | 0 | 0 | 0 | 0 | 119.1 | E1167 | S1165-E1167 PolarHBondContact O-N 3.22Å; S1165-E1167 VanDerWaalsContact O-N 3.07Å | ||
| 1166 | L | 24.1 | Very low | 25.4 | Very low | 156 Ų | 156 | 109.9 Ų | 109.9 | 82% | 0.817 | 65% | 0.652 | S | S | * | * | trans | -80.1 | 62.2 | 161.9 | -157.3 | 90.6 | 0 | 0 | 0 | 112 | Q1168 | L1166-Q1168 PolarHBondContact O-N 3.36Š| ||
| 1167 | E | 25.5 | Very low | 25.6 | Very low | 192 Ų | 192 | 106.7 Ų | 106.7 | 90% | 0.897 | 64% | 0.639 | S | S | * | * | trans | -83.5 | 96.7 | 172.9 | -78.4 | -167.1 | 168.2 | 0 | 0 | 111.5 | S1165 | S1165-E1167 PolarHBondContact O-N 3.22Å; S1165-E1167 VanDerWaalsContact O-N 3.07Å | ||
| 1168 | Q | 23.7 | Very low | 25.6 | Very low | 139 Ų | 139 | 109.7 Ų | 109.7 | 65% | 0.65 | 64% | 0.64 | S | S | * | * | trans | -86.7 | 146 | 161.5 | -63.6 | 179.3 | -65.3 | 0 | 0 | 109.7 | L1166 | L1166-Q1168 PolarHBondContact O-N 3.36Š| ||
| 1169 | Q | 24.2 | Very low | 25.6 | Very low | 132 Ų | 132 | 106.7 Ų | 106.7 | 62% | 0.617 | 61% | 0.612 | S | S | * | * | trans | 63 | 85.2 | 160.5 | -60.5 | 171.4 | 1.6 | 0 | 0 | 117.4 | S1171 | Q1169-S1171 PolarHBondContact O-N 3.49Š| ||
| 1170 | A | 24.5 | Very low | 25.7 | Very low | 76 Ų | 76 | 108.9 Ų | 108.9 | 63% | 0.628 | 63% | 0.629 | S | S | * | * | trans | -77.2 | 60 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1171 | S | 24.4 | Very low | 25.5 | Very low | 60 Ų | 60 | 110.5 Ų | 110.5 | 42% | 0.42 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -77.9 | 147.3 | 149 | 44.7 | 0 | 0 | 0 | 0 | 108.6 | Q1169 T1173 | Q1169-S1171 PolarHBondContact O-N 3.49Å; S1171-T1173 PolarHBondContact O-N 3.41Å |
| 1172 | F | 27.1 | Very low | 25.6 | Very low | 206 Ų | 206 | 111.8 Ų | 111.8 | 90% | 0.904 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -58.3 | 122.1 | -170.9 | -71.8 | -87.7 | 0 | 0 | 0 | 112.7 | ||
| 1173 | T | 27.9 | Very low | 25.5 | Very low | 98 Ų | 98 | 116 Ų | 116 | 60% | 0.601 | 64% | 0.643 | S | S | * | * | trans | -44.5 | 131.5 | 179 | 45.5 | 0 | 0 | 0 | 0 | 113.2 | S1171 | S1171-T1173 PolarHBondContact O-N 3.41Š| ||
| 1174 | L | 28.7 | Very low | 25.6 | Very low | 78 Ų | 78 | 120.9 Ų | 120.9 | 41% | 0.408 | 65% | 0.652 | S | S | . | * | 70.2 | 152.8 | 82.6 | -72.2 | 161.7 | 0 | 0 | 0 | 111.8 | V1268 V1272 G1298 | L1174-V1268 HydrophobicContact CD2-CG1 4.42Å; L1174-V1272 HydrophobicContact CD2-CG2 3.9Å; L1174-V1272 HydrophobicContact CG-CG2 4.19Å; L1174-G1298 CarbonylContact O-C 3.58Å; L1174-G1298 VanDerWaalsContact O-O 3.09Å | |||
| 1175 | D | 28.8 | Very low | 25.5 | Very low | 35 Ų | 35 | 120.4 Ų | 120.4 | 19% | 0.187 | 65% | 0.649 | C | S | . | * | cis | -176.3 | 172.5 | 38.1 | -170 | 38.5 | 0 | 0 | 0 | 113.6 | N1297 S1299 | D1175-N1297 WeakPolarHBondContact CB-O 3.1Å; D1175-N1297 WeakPolarHBondContact OD2-CB 3.18Å; D1175-S1299 WeakPolarHBondContact OD2-CB 3.3Å | ||
| 1176 | N | 27.8 | Very low | 25.4 | Very low | 105 Ų | 105 | 122.5 Ų | 122.5 | 56% | 0.561 | 65% | 0.65 | S | S | * | * | trans | 17.7 | 154.9 | 158.6 | -68.1 | -41 | 0 | 0 | 0 | 126.6 | S1299 | N1176-S1299 PolarHBondContact O-OG 2.99Š| ||
| 1177 | S | 27.5 | Very low | 25.4 | Very low | 45 Ų | 45 | 120.2 Ų | 120.2 | 32% | 0.315 | 64% | 0.642 | S | S | . | * | trans | 69.2 | 144.2 | 152.2 | 30.4 | 0 | 0 | 0 | 0 | 120.9 | E1315 | S1177-E1315 VanDerWaalsContact CB-OE1 3.22Å; S1177-E1315 WeakPolarHBondContact CB-OE1 3.37Å; S1177-E1315 PolarHBondContact OG-OE1 3.13Å | ||
| 1178 | D | 26.4 | Very low | 25.4 | Very low | 125 Ų | 125 | 121.1 Ų | 121.1 | 67% | 0.668 | 64% | 0.644 | S | S | * | * | cis | -157.2 | 177 | -11.7 | -127.9 | -42.3 | 0 | 0 | 0 | 113.2 | ||||
| 1179 | E | 25.3 | Very low | 25.6 | Very low | 74 Ų | 74 | 118 Ų | 118 | 35% | 0.346 | 65% | 0.648 | S | S | . | * | trans | 58.2 | 98.4 | 152.6 | -77.1 | -169.7 | 167.4 | 0 | 0 | 123.1 | H1317 Q1318 | E1179-H1317 PolarHBondContact OE2-N 2.93Å; E1179-Q1318 VanDerWaalsContact CB-NE2 3.33Å; E1179-Q1318 VanDerWaalsContact CD-NE2 3.31Å; E1179-Q1318 VanDerWaalsContact CG-NE2 3.31Å; E1179-Q1318 WeakPolarHBondContact OE1-CB 3.35Å; E1179-Q1318 WeakPolarHBondContact OE2-CB 3.4Å; E1179-Q1318 WeakPolarHBondContact OE2-CG 3.41Å; E1179-Q1318 PolarHBondContact OE2-N 3.14Å; E1179-Q1318 PolarHBondContact OE2-NE2 3.13Å | ||
| 1180 | T | 25.9 | Very low | 25.6 | Very low | 130 Ų | 130 | 120.5 Ų | 120.5 | 80% | 0.798 | 66% | 0.66 | S | S | * | * | -157.8 | 111.5 | 127.2 | 50.3 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 1181 | Q | 23.9 | Very low | 25.9 | Very low | 153 Ų | 153 | 122.3 Ų | 122.3 | 72% | 0.715 | 67% | 0.669 | S | S | * | * | 39.2 | 88.2 | 79.2 | -73.3 | -155.7 | 18.3 | 0 | 0 | 114.9 | Q1318 | Q1181-Q1318 VanDerWaalsContact NE2-CD 3.33Š| |||
| 1182 | S | 24.9 | Very low | 25.9 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | trans | -132.6 | 120.6 | 149 | 63.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1183 | E | 23.1 | Very low | 25.9 | Very low | 186 Ų | 186 | 124.3 Ų | 124.3 | 87% | 0.869 | 68% | 0.679 | S | S | * | * | trans | -46 | 131.2 | -179.6 | -55.7 | 156.3 | 133 | 0 | 0 | 113 | ||||
| 1184 | F | 24.3 | Very low | 25.8 | Very low | 207 Ų | 207 | 126.7 Ų | 126.7 | 91% | 0.908 | 69% | 0.687 | S | S | * | * | -163.5 | 146.8 | 113.7 | -120.4 | -90.4 | 0 | 0 | 0 | 111.9 | |||||
| 1185 | S | 22 | Very low | 25.8 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | trans | -79.3 | 163.5 | -167.7 | -51 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1186 | L | 24 | Very low | 25.7 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | 124.9 | 92.5 | 154.7 | -66.1 | 169.1 | 0 | 0 | 0 | 112.4 | ||||
| 1187 | V | 23.8 | Very low | 25.6 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | 85.2 | 87.3 | 72.1 | 170.2 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1188 | F | 24.5 | Very low | 25.4 | Very low | 210 Ų | 210 | 139.8 Ų | 139.8 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | 174 | 162.1 | 118.3 | -99.1 | -65.7 | 0 | 0 | 0 | 111.4 | |||||
| 1189 | G | 28.3 | Very low | 25.3 | Very low | 73 Ų | 73 | 138.6 Ų | 138.6 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | 115.6 | 25.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 1190 | Q | 23.9 | Very low | 25.5 | Very low | 185 Ų | 185 | 140.6 Ų | 140.6 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -73.5 | 130 | 167.9 | -81.4 | -176.2 | -26.2 | 0 | 0 | 112.4 | ||||
| 1191 | S | 31 | Very low | 25.5 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -145.3 | 111.4 | 150.8 | 60.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1192 | N | 25.1 | Very low | 25.7 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | -78.4 | 173.3 | -179.1 | -70.4 | -17.9 | 0 | 0 | 0 | 112.4 | ||||
| 1193 | E | 26.7 | Very low | 25.7 | Very low | 173 Ų | 173 | 139.6 Ų | 139.6 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | 118 | 101.2 | 145.2 | -62.9 | -175.3 | -164.4 | 0 | 0 | 117.1 | ||||
| 1194 | N | 26.8 | Very low | 25.8 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | 40.4 | 106.4 | 128.8 | -54.9 | -10.5 | 0 | 0 | 0 | 118.4 | |||||
| 1195 | M | 28 | Very low | 26.1 | Very low | 183 Ų | 183 | 131.2 Ų | 131.2 | 90% | 0.901 | 75% | 0.747 | S | S | * | * | trans | -146.6 | 152.8 | 139.6 | -105.1 | -53.8 | 152.3 | 0 | 0 | 112.8 | ||||
| 1196 | N | 26.6 | Very low | 26.5 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | trans | -73.9 | 158.5 | 173.9 | -72.2 | -66.2 | 0 | 0 | 0 | 111.4 | ||||
| 1197 | G | 24.9 | Very low | 26.8 | Very low | 82 Ų | 82 | 136 Ų | 136 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | trans | -73.4 | 158.2 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1198 | C | 24.6 | Very low | 27.2 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | -151.8 | 145.6 | 163.6 | -140.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1199 | P | 24.7 | Very low | 27.7 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | trans | -72.9 | 139.9 | 175.6 | 31 | -34 | 0 | 0 | 0 | 110.6 | ||||
| 1200 | I | 27.8 | Very low | 28.1 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 60% | 0.6 | 72% | 0.719 | S | S | * | * | trans | -102 | 94.8 | 175.7 | -60.3 | -178.5 | 0 | 0 | 0 | 109.1 | V1161 L1203 | V1161-I1200 VanDerWaalsContact CG2-O 3.25Å; V1161-I1200 WeakPolarHBondContact CG2-O 3.25Å; I1200-L1203 HydrophobicContact CG2-CD1 3.61Å | ||
| 1201 | E | 25.8 | Very low | 28.7 | Very low | 161 Ų | 161 | 127.4 Ų | 127.4 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | trans | -62.2 | 146.4 | 161.8 | -64.6 | 179.6 | 110.5 | 0 | 0 | 110.6 | L1203 | E1201-L1203 PolarHBondContact O-N 3.39Š| ||
| 1202 | Q | 28.3 | Very low | 29.5 | Very low | 123 Ų | 123 | 123.9 Ų | 123.9 | 58% | 0.575 | 68% | 0.68 | S | S | * | * | trans | 22 | 90 | 151.9 | -57.5 | -175.4 | -4.1 | 0 | 0 | 117.8 | ||||
| 1203 | L | 25.1 | Very low | 30.5 | Very low | 92 Ų | 92 | 121 Ų | 121 | 48% | 0.482 | 66% | 0.664 | S | S | . | * | trans | -103.3 | 146.8 | 154.5 | -87.5 | 95.8 | 0 | 0 | 0 | 112.1 | N1159 I1200 E1201 | N1159-L1203 PolarHBondContact ND2-O 3.24Å; I1200-L1203 HydrophobicContact CG2-CD1 3.61Å; E1201-L1203 PolarHBondContact O-N 3.39Å | ||
| 1204 | P | 26.1 | Very low | 31.3 | Very low | 87 Ų | 87 | 115.1 Ų | 115.1 | 57% | 0.565 | 64% | 0.641 | S | S | * | * | trans | -70.1 | 164.7 | 171.3 | 31.7 | -36 | 0 | 0 | 0 | 111.4 | K1206 | P1204-K1206 PolarHBondContact O-N 3.5Š| ||
| 1205 | P | 30.1 | Very low | 32.5 | Very low | 130 Ų | 130 | 110.3 Ų | 110.3 | 84% | 0.844 | 62% | 0.622 | S | S | * | * | trans | -66.5 | 98.3 | -175.4 | 27.2 | -35.8 | 0 | 0 | 0 | 112.2 | E1207 | P1205-E1207 PolarHBondContact O-N 2.77Š| ||
| 1206 | K | 30.6 | Very low | 33.7 | Very low | 173 Ų | 173 | 108.3 Ų | 108.3 | 75% | 0.752 | 61% | 0.605 | S | S | * | * | trans | -78.1 | 103.9 | 163.4 | -84.4 | -172.4 | 170.5 | -176.6 | 0 | 109.7 | P1204 L1208 | P1204-K1206 PolarHBondContact O-N 3.5Å; K1206-L1208 PolarHBondContact O-N 3.14Å | ||
| 1207 | E | 29.9 | Very low | 35.2 | Very low | 188 Ų | 188 | 105.7 Ų | 105.7 | 88% | 0.879 | 59% | 0.588 | S | S | * | * | trans | 29.7 | 79.6 | 145.1 | -63.6 | 174.8 | 163.8 | 0 | 0 | 115.5 | P1205 S1209 | P1205-E1207 PolarHBondContact O-N 2.77Å; E1207-S1209 PolarHBondContact O-N 2.77Å | ||
| 1208 | L | 31.9 | Very low | 36.8 | Very low | 123 Ų | 123 | 102 Ų | 102 | 64% | 0.644 | 55% | 0.55 | S | S | * | . | trans | -56.5 | 131.4 | 157.1 | -82.7 | 104 | 0 | 0 | 0 | 108.5 | K1206 I1213 | K1206-L1208 PolarHBondContact O-N 3.14Å; L1208-I1213 HydrophobicContact CB-CD1 4.23Å; L1208-I1213 HydrophobicContact CB-CG1 4Å | ||
| 1209 | S | 35.5 | Very low | 39 | Very low | 72 Ų | 72 | 99.9 Ų | 99.9 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | trans | -58.9 | 144.3 | 177.8 | 67.5 | 0 | 0 | 0 | 0 | 110.3 | E1207 N1211 S1212 I1213 | E1207-S1209 PolarHBondContact O-N 2.77Å; S1209-N1211 PolarHBondContact O-N 2.67Å; S1209-N1211 VanDerWaalsContact O-N 3.13Å; S1209-S1212 PolarHBondContact N-OG 2.95Å; S1209-S1212 WeakPolarHBondContact O-CA 3.17Å; S1209-S1212 WeakPolarHBondContact O-CB 3.38Å; S1209-S1212 PolarHBondContact O-N 2.72Å; S1209-S1212 PolarHBondContact O-OG 2.95Å; S1209-S1212 PolarHBondContact OG-N 2.84Å; S1209-S1212 PolarHBondContact OG-OG 3.29Å; S1209-I1213 PolarHBondContact O-N 3.05Å | ||
| 1210 | I | 36.8 | Very low | 41.5 | Very low | 96 Ų | 96 | 95.2 Ų | 95.2 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -53.8 | -39.4 | -178.2 | -63.5 | 174.1 | 0 | 0 | 0 | 110.6 | L1124 S1212 I1213 C1214 | L1124-I1210 HydrophobicContact CD2-CD1 4.1Å; I1210-S1212 VanDerWaalsContact C-N 3.33Å; I1210-S1212 PolarHBondContact O-N 2.7Å; I1210-I1213 PolarHBondContact O-N 3.4Å; I1210-I1213 VanDerWaalsContact O-N 3.17Å; I1210-C1214 PolarHBondContact O-N 3.38Å; I1210-C1214 PolarHBondContact O-SG 3.4Å |
| 1211 | N | 37.5 | Very low | 43.9 | Very low | 106 Ų | 106 | 90.3 Ų | 90.3 | 57% | 0.567 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -56 | -43.4 | 174.7 | -59.8 | 28.2 | 0 | 0 | 0 | 112.3 | S1209 C1214 A1215 | S1209-N1211 PolarHBondContact O-N 2.67Å; S1209-N1211 VanDerWaalsContact O-N 3.13Å; N1211-C1214 PolarHBondContact O-N 3.12Å; N1211-A1215 WeakPolarHBondContact O-CB 3.4Å; N1211-A1215 PolarHBondContact O-N 2.89Å |
| 1212 | S | 46.2 | Very low | 46.2 | Very low | 41 Ų | 41 | 84.3 Ų | 84.3 | 29% | 0.287 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.1 | -31.8 | 178.7 | 70.9 | 0 | 0 | 0 | 0 | 113.3 | S1209 I1210 Y1216 | S1209-S1212 PolarHBondContact N-OG 2.95Å; S1209-S1212 WeakPolarHBondContact O-CA 3.17Å; S1209-S1212 WeakPolarHBondContact O-CB 3.38Å; S1209-S1212 PolarHBondContact O-N 2.72Å; S1209-S1212 PolarHBondContact O-OG 2.95Å; S1209-S1212 PolarHBondContact OG-N 2.84Å; S1209-S1212 PolarHBondContact OG-OG 3.29Å; I1210-S1212 VanDerWaalsContact C-N 3.33Å; I1210-S1212 PolarHBondContact O-N 2.7Å; S1212-Y1216 WeakPolarHBondContact O-CB 3.42Å; S1212-Y1216 PolarHBondContact O-N 2.93Å |
| 1213 | I | 46.2 | Very low | 48.1 | Very low | 74 Ų | 74 | 81.1 Ų | 81.1 | 38% | 0.379 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -70.9 | -43.2 | 173.6 | -60.1 | 175.3 | 0 | 0 | 0 | 110.1 | L1208 S1209 I1210 A1215 Y1216 Q1217 | L1208-I1213 HydrophobicContact CB-CD1 4.23Å; L1208-I1213 HydrophobicContact CB-CG1 4Å; S1209-I1213 PolarHBondContact O-N 3.05Å; I1210-I1213 PolarHBondContact O-N 3.4Å; I1210-I1213 VanDerWaalsContact O-N 3.17Å; I1213-A1215 PolarHBondContact O-N 3.01Å; I1213-Y1216 WeakPolarHBondContact O-CB 3.21Å; I1213-Y1216 PolarHBondContact O-N 3.28Å; I1213-Q1217 HydrophobicContact CG2-CG 4.48Å; I1213-Q1217 WeakPolarHBondContact O-CG 3.25Å; I1213-Q1217 PolarHBondContact O-N 2.88Å |
| 1214 | C | 44.6 | Very low | 50.5 | Low | 50 Ų | 50 | 84 Ų | 84 | 34% | 0.338 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 173.4 | -71.1 | 0 | 0 | 0 | 0 | 112.3 | I1210 N1211 Y1216 Q1217 S1218 | I1210-C1214 PolarHBondContact O-N 3.38Å; I1210-C1214 PolarHBondContact O-SG 3.4Å; N1211-C1214 PolarHBondContact O-N 3.12Å; C1214-Y1216 VanDerWaalsContact C-N 3.29Å; C1214-Y1216 PolarHBondContact O-N 3.14Å; C1214-Q1217 PolarHBondContact O-N 3.44Å; C1214-S1218 VanDerWaalsContact O-CB 3.31Å; C1214-S1218 WeakPolarHBondContact O-CB 3.46Å; C1214-S1218 PolarHBondContact O-N 3.15Å; C1214-S1218 PolarHBondContact O-OG 2.73Å; C1214-S1218 VanDerWaalsContact O-OG 3.09Å |
| 1215 | A | 51.1 | Low | 53.1 | Low | 46 Ų | 46 | 81.6 Ų | 81.6 | 38% | 0.38 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.6 | -29.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1211 I1213 S1218 | N1211-A1215 WeakPolarHBondContact O-CB 3.4Å; N1211-A1215 PolarHBondContact O-N 2.89Å; I1213-A1215 PolarHBondContact O-N 3.01Å; A1215-S1218 WeakPolarHBondContact CA-OG 3.15Å; A1215-S1218 PolarHBondContact O-OG 3.4Å |
| 1216 | Y | 53.2 | Low | 55.5 | Low | 140 Ų | 140 | 76.3 Ų | 76.3 | 55% | 0.549 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -74.7 | -42.1 | 173.3 | -163.4 | -80.7 | 0 | 0 | 0 | 111.7 | S1212 I1213 C1214 H1222 | S1212-Y1216 WeakPolarHBondContact O-CB 3.42Å; S1212-Y1216 PolarHBondContact O-N 2.93Å; I1213-Y1216 WeakPolarHBondContact O-CB 3.21Å; I1213-Y1216 PolarHBondContact O-N 3.28Å; C1214-Y1216 VanDerWaalsContact C-N 3.29Å; C1214-Y1216 PolarHBondContact O-N 3.14Å; Y1216-H1222 AromaticContact CZ-CE1 3.83Å; Y1216-H1222 AromaticContact CZ-NE2 3.9Å; Y1216-H1222 PolarHBondContact OH-CE1 2.86Å; Y1216-H1222 PolarHBondContact OH-NE2 3.42Å |
| 1217 | Q | 57.7 | Low | 57.7 | Low | 100 Ų | 100 | 74 Ų | 74 | 47% | 0.467 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -78.4 | -15.1 | -178.7 | -68.7 | -179.6 | 0.3 | 0 | 0 | 114 | I1213 C1214 | I1213-Q1217 HydrophobicContact CG2-CG 4.48Å; I1213-Q1217 WeakPolarHBondContact O-CG 3.25Å; I1213-Q1217 PolarHBondContact O-N 2.88Å; C1214-Q1217 PolarHBondContact O-N 3.44Å |
| 1218 | S | 60.2 | Low | 60.3 | Low | 6 Ų | 6 | 67.5 Ų | 67.5 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -8.4 | 177.9 | 62.5 | 0 | 0 | 0 | 0 | 114.4 | A1068 N1107 C1214 A1215 | A1068-S1218 VanDerWaalsContact CB-O 3.24Å; A1068-S1218 WeakPolarHBondContact CB-O 3.49Å; N1107-S1218 PolarHBondContact ND2-O 3.27Å; C1214-S1218 VanDerWaalsContact O-CB 3.31Å; C1214-S1218 WeakPolarHBondContact O-CB 3.46Å; C1214-S1218 PolarHBondContact O-N 3.15Å; C1214-S1218 PolarHBondContact O-OG 2.73Å; C1214-S1218 VanDerWaalsContact O-OG 3.09Å; A1215-S1218 WeakPolarHBondContact CA-OG 3.15Å; A1215-S1218 PolarHBondContact O-OG 3.4Å |
| 1219 | R | 70.6 | Confident | 63 | Low | 73 Ų | 73 | 62 Ų | 62 | 28% | 0.275 | 32% | 0.323 | S | S | . | . | trans | -80.9 | 132.6 | -178.9 | -76.9 | 179 | 163 | 148.2 | -1.2 | 113 | N1104 E1108 | N1104-R1219 WeakPolarHBondContact OD1-CA 3.35Å; N1104-R1219 WeakPolarHBondContact OD1-CB 3.33Å; E1108-R1219 IonicContact OE1-CZ 3.29Å; E1108-R1219 IonicContact OE1-NE 2.74Å; E1108-R1219 PolarHBondContact OE1-NE 3.33Å; E1108-R1219 IonicContact OE1-NH2 2.74Å; E1108-R1219 PolarHBondContact OE1-NH2 2.83Å | ||
| 1220 | F | 77 | Confident | 65.3 | Low | 1 Ų | 1 | 59.4 Ų | 59.4 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -78.3 | -29.5 | 171.3 | -78.1 | -85.1 | 0 | 0 | 0 | 111.9 | M1050 L1054 A1068 F1077 L1100 L1103 N1104 N1107 | M1050-F1220 HydrophobicContact CE-CE1 3.87Å; M1050-F1220 HydrophobicContact CE-CE2 4.44Å; M1050-F1220 HydrophobicContact CE-CZ 3.48Å; M1050-F1220 VanDerWaalsContact CE-CZ 3.48Å; L1054-F1220 HydrophobicContact CD1-CE2 4.46Å; L1054-F1220 HydrophobicContact CD2-CE2 4.29Å; A1068-F1220 HydrophobicContact CB-CD1 4.12Å; A1068-F1220 HydrophobicContact CB-CD2 3.87Å; A1068-F1220 HydrophobicContact CB-CE1 4.04Å; A1068-F1220 HydrophobicContact CB-CE2 3.78Å; A1068-F1220 HydrophobicContact CB-CG 4.03Å; A1068-F1220 HydrophobicContact CB-CZ 3.85Å; F1077-F1220 HydrophobicContact CE2-CE1 4.45Å; L1100-F1220 HydrophobicContact CD2-CB 4.14Å; L1100-F1220 HydrophobicContact CD2-CD1 4.32Å; L1103-F1220 HydrophobicContact CB-CD1 4.48Å; L1103-F1220 HydrophobicContact CB-CD2 4.02Å; L1103-F1220 HydrophobicContact CB-CE2 4.34Å; L1103-F1220 HydrophobicContact CB-CG 4.1Å; L1103-F1220 HydrophobicContact CD1-CD1 4.5Å; N1104-F1220 HydrophobicContact CB-CB 4.33Å; N1104-F1220 PolarHBondContact OD1-N 3.24Å; N1107-F1220 HydrophobicContact CB-CE2 4.38Å |
| 1221 | V | 77.2 | Confident | 67.6 | Low | 14 Ų | 14 | 60.2 Ų | 60.2 | 9% | 0.085 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -112 | 118.9 | 178.2 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | L1100 N1104 L1226 F1229 | L1100-V1221 HydrophobicContact CB-CG2 3.98Å; N1104-V1221 HydrophobicContact CB-CG2 4.41Å; N1104-V1221 PolarHBondContact OD1-N 3.05Å; N1104-V1221 VanDerWaalsContact OD1-N 3.11Å; V1221-L1226 HydrophobicContact CG1-CD2 3.63Å; V1221-L1226 HydrophobicContact CG1-CG 4.21Å; V1221-F1229 HydrophobicContact CG1-CD2 4.18Å; V1221-F1229 HydrophobicContact CG1-CE2 3.95Å; V1221-F1229 HydrophobicContact CG2-CE2 4.22Å |
| 1222 | H | 74 | Confident | 70.1 | Confident | 36 Ų | 36 | 56.7 Ų | 56.7 | 17% | 0.167 | 29% | 0.285 | C | S | . | . | trans | -84.5 | 138.8 | 174 | -168.4 | -25.5 | 0 | 0 | 0 | 109.3 | Y1216 K1224 D1225 | Y1216-H1222 AromaticContact CZ-CE1 3.83Å; Y1216-H1222 AromaticContact CZ-NE2 3.9Å; Y1216-H1222 PolarHBondContact OH-CE1 2.86Å; Y1216-H1222 PolarHBondContact OH-NE2 3.42Å; H1222-K1224 PolarHBondContact ND1-N 3.04Å; H1222-K1224 PolarHBondContact O-N 3Å; H1222-D1225 VanDerWaalsContact CB-OD2 3.24Å; H1222-D1225 WeakPolarHBondContact CB-OD2 3.4Å; H1222-D1225 PolarHBondContact N-OD2 3.24Å; H1222-D1225 WeakPolarHBondContact O-CB 3.46Å; H1222-D1225 PolarHBondContact O-N 3.38Å | ||
| 1223 | P | 69.5 | Low | 72.2 | Confident | 56 Ų | 56 | 54.8 Ų | 54.8 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -17.6 | 172.8 | -33.9 | 36 | 0 | 0 | 0 | 117 | ||
| 1224 | K | 75.5 | Confident | 74.1 | Confident | 153 Ų | 153 | 56.6 Ų | 56.6 | 67% | 0.665 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -26.6 | 173.5 | -67.5 | 177.6 | -177.1 | 172.7 | 0 | 113.1 | H1222 | H1222-K1224 PolarHBondContact ND1-N 3.04Å; H1222-K1224 PolarHBondContact O-N 3Å |
| 1225 | D | 80.6 | Confident | 76.2 | Confident | 35 Ų | 35 | 56.2 Ų | 56.2 | 19% | 0.187 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -23 | -174.8 | -49.7 | -25.5 | 0 | 0 | 0 | 111.5 | R1074 H1222 F1227 S1228 F1229 | R1074-D1225 IonicContact CZ-OD2 3.38Å; R1074-D1225 IonicContact NE-OD2 2.73Å; R1074-D1225 IonicContact NH2-OD1 3.59Å; R1074-D1225 PolarHBondContact NH2-OD1 2.98Å; R1074-D1225 IonicContact NH2-OD2 3.27Å; R1074-D1225 PolarHBondContact NH2-OD2 2.95Å; H1222-D1225 VanDerWaalsContact CB-OD2 3.24Å; H1222-D1225 WeakPolarHBondContact CB-OD2 3.4Å; H1222-D1225 PolarHBondContact N-OD2 3.24Å; H1222-D1225 WeakPolarHBondContact O-CB 3.46Å; H1222-D1225 PolarHBondContact O-N 3.38Å; D1225-F1227 PolarHBondContact O-N 2.84Å; D1225-S1228 WeakPolarHBondContact O-CA 3.4Å; D1225-S1228 WeakPolarHBondContact O-CB 3.36Å; D1225-S1228 PolarHBondContact O-N 2.74Å; D1225-F1229 HydrophobicContact CB-CD2 4.36Å; D1225-F1229 HydrophobicContact CB-CE1 4.1Å; D1225-F1229 HydrophobicContact CB-CE2 3.87Å; D1225-F1229 HydrophobicContact CB-CZ 3.72Å; D1225-F1229 PolarHBondContact O-N 3.09Å |
| 1226 | L | 78.9 | Confident | 78.1 | Confident | 19 Ų | 19 | 54.2 Ų | 54.2 | 10% | 0.099 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -52.8 | -46.2 | -174.7 | -70.5 | 173.1 | 0 | 0 | 0 | 113.5 | V1221 S1228 F1229 D1230 W1256 H1267 | V1221-L1226 HydrophobicContact CG1-CD2 3.63Å; V1221-L1226 HydrophobicContact CG1-CG 4.21Å; L1226-S1228 PolarHBondContact O-N 2.84Å; L1226-F1229 PolarHBondContact O-N 3.32Å; L1226-F1229 VanDerWaalsContact O-N 3.1Å; L1226-D1230 PolarHBondContact O-N 2.88Å; L1226-W1256 HydrophobicContact CD2-CH2 4.24Å; L1226-H1267 HydrophobicContact CD1-CB 4.48Å; L1226-H1267 VanDerWaalsContact CD1-CD2 3.47Å; L1226-H1267 WeakPolarHBondContact CD1-CD2 3.49Å |
| 1227 | F | 77.4 | Confident | 79.8 | Confident | 124 Ų | 124 | 47.7 Ų | 47.7 | 54% | 0.544 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.3 | -31.1 | 176.7 | -70.7 | -74.9 | 0 | 0 | 0 | 113.6 | D1225 H1231 | D1225-F1227 PolarHBondContact O-N 2.84Å; F1227-H1231 PolarHBondContact O-N 3.06Å |
| 1228 | S | 84.6 | Confident | 81.1 | Confident | 53 Ų | 53 | 45.1 Ų | 45.1 | 37% | 0.371 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -76.8 | -38.9 | 175.7 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | D1225 L1226 H1231 Y1232 | D1225-S1228 WeakPolarHBondContact O-CA 3.4Å; D1225-S1228 WeakPolarHBondContact O-CB 3.36Å; D1225-S1228 PolarHBondContact O-N 2.74Å; L1226-S1228 PolarHBondContact O-N 2.84Å; S1228-H1231 WeakPolarHBondContact O-CB 3.42Å; S1228-H1231 PolarHBondContact O-N 3.33Å; S1228-Y1232 WeakPolarHBondContact O-CD1 3.31Å; S1228-Y1232 WeakPolarHBondContact O-CD2 3.31Å; S1228-Y1232 PolarHBondContact O-N 3.48Å; S1228-Y1232 VanDerWaalsContact O-N 3.08Å |
| 1229 | F | 88.7 | Confident | 82.3 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67 | -41 | 177.9 | -65.6 | -6 | 0 | 0 | 0 | 111.9 | I1081 V1097 L1100 V1221 D1225 L1226 H1231 Y1232 I1233 W1256 | I1081-F1229 HydrophobicContact CD1-CE1 4.01Å; I1081-F1229 HydrophobicContact CD1-CZ 4.05Å; V1097-F1229 HydrophobicContact CG1-CB 3.79Å; V1097-F1229 HydrophobicContact CG1-CD2 4.29Å; V1097-F1229 HydrophobicContact CG1-CG 4.11Å; V1097-F1229 HydrophobicContact CG2-CB 3.91Å; V1097-F1229 HydrophobicContact CG2-CD1 3.62Å; V1097-F1229 HydrophobicContact CG2-CD2 4.21Å; V1097-F1229 HydrophobicContact CG2-CE1 4.16Å; V1097-F1229 HydrophobicContact CG2-CG 3.65Å; L1100-F1229 HydrophobicContact CD1-CE2 4.17Å; L1100-F1229 HydrophobicContact CD1-CZ 3.92Å; V1221-F1229 HydrophobicContact CG1-CD2 4.18Å; V1221-F1229 HydrophobicContact CG1-CE2 3.95Å; V1221-F1229 HydrophobicContact CG2-CE2 4.22Å; D1225-F1229 HydrophobicContact CB-CD2 4.36Å; D1225-F1229 HydrophobicContact CB-CE1 4.1Å; D1225-F1229 HydrophobicContact CB-CE2 3.87Å; D1225-F1229 HydrophobicContact CB-CZ 3.72Å; D1225-F1229 PolarHBondContact O-N 3.09Å; L1226-F1229 PolarHBondContact O-N 3.32Å; L1226-F1229 VanDerWaalsContact O-N 3.1Å; F1229-H1231 VanDerWaalsContact C-N 3.29Å; F1229-H1231 PolarHBondContact O-N 2.76Å; F1229-Y1232 HydrophobicContact CD1-CD2 4.03Å; F1229-Y1232 AromaticContact CD1-CE2 3.87Å; F1229-Y1232 HydrophobicContact CD1-CE2 3.87Å; F1229-Y1232 HydrophobicContact CE1-CE2 4.33Å; F1229-Y1232 PolarHBondContact O-N 2.78Å; F1229-I1233 WeakPolarHBondContact O-CG1 3.48Å; F1229-I1233 PolarHBondContact O-N 3.4Å; F1229-W1256 HydrophobicContact CB-CH2 3.64Å; F1229-W1256 HydrophobicContact CB-CZ2 4.11Å; F1229-W1256 HydrophobicContact CB-CZ3 4.42Å; F1229-W1256 HydrophobicContact CD2-CH2 4.32Å |
| 1230 | D | 82.9 | Confident | 83.1 | Confident | 19 Ų | 19 | 43 Ų | 43 | 10% | 0.102 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.1 | -44.7 | 169.5 | -90.6 | -12.4 | 0 | 0 | 0 | 111.9 | L1226 I1233 Y1234 W1256 H1267 W1269 | L1226-D1230 PolarHBondContact O-N 2.88Å; D1230-I1233 PolarHBondContact O-N 2.97Å; D1230-Y1234 VanDerWaalsContact O-CB 3.22Å; D1230-Y1234 WeakPolarHBondContact O-CB 3.41Å; D1230-Y1234 PolarHBondContact O-N 3.48Å; D1230-W1256 VanDerWaalsContact OD1-CE2 3.3Å; D1230-W1256 VanDerWaalsContact OD1-CZ2 3.31Å; D1230-W1256 WeakPolarHBondContact OD1-CZ2 3.31Å; D1230-W1256 PolarHBondContact OD1-NE1 3.17Å; D1230-H1267 IonicContact OD2-CE1 3.68Å; D1230-H1267 PolarHBondContact OD2-CE1 3.23Å; D1230-W1269 VanDerWaalsContact CG-NE1 3.28Å; D1230-W1269 VanDerWaalsContact OD1-CD1 3.22Å; D1230-W1269 PolarHBondContact OD1-NE1 3.37Å; D1230-W1269 PolarHBondContact OD2-NE1 3.17Å |
| 1231 | H | 85.6 | Confident | 83.5 | Confident | 112 Ų | 112 | 49.2 Ų | 49.2 | 52% | 0.519 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 177.8 | -174.9 | 64.6 | 0 | 0 | 0 | 112.3 | F1227 S1228 F1229 Y1234 V1235 | F1227-H1231 PolarHBondContact O-N 3.06Å; S1228-H1231 WeakPolarHBondContact O-CB 3.42Å; S1228-H1231 PolarHBondContact O-N 3.33Å; F1229-H1231 VanDerWaalsContact C-N 3.29Å; F1229-H1231 PolarHBondContact O-N 2.76Å; H1231-Y1234 PolarHBondContact O-N 3.48Å; H1231-V1235 WeakPolarHBondContact O-CG2 3.45Å; H1231-V1235 PolarHBondContact O-N 3.05Å |
| 1232 | Y | 90.5 | Very high | 83.7 | Confident | 33 Ų | 33 | 50 Ų | 50 | 13% | 0.129 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.7 | -43.3 | 178.1 | -51.3 | -28.3 | 0 | 0 | 0 | 112 | L1085 V1090 L1093 V1097 S1228 F1229 Y1236 | L1085-Y1232 HydrophobicContact CD2-CE1 3.83Å; V1090-Y1232 WeakPolarHBondContact CG1-O 3.32Å; L1093-Y1232 HydrophobicContact CB-CD2 4.26Å; L1093-Y1232 HydrophobicContact CB-CG 4.26Å; L1093-Y1232 HydrophobicContact CD1-CD1 4.35Å; L1093-Y1232 HydrophobicContact CD1-CG 4.39Å; L1093-Y1232 HydrophobicContact CD2-CD2 4.4Å; L1093-Y1232 HydrophobicContact CD2-CE2 4.4Å; V1097-Y1232 HydrophobicContact CG2-CD2 4.13Å; S1228-Y1232 WeakPolarHBondContact O-CD1 3.31Å; S1228-Y1232 WeakPolarHBondContact O-CD2 3.31Å; S1228-Y1232 PolarHBondContact O-N 3.48Å; S1228-Y1232 VanDerWaalsContact O-N 3.08Å; F1229-Y1232 HydrophobicContact CD1-CD2 4.03Å; F1229-Y1232 AromaticContact CD1-CE2 3.87Å; F1229-Y1232 HydrophobicContact CD1-CE2 3.87Å; F1229-Y1232 HydrophobicContact CE1-CE2 4.33Å; F1229-Y1232 PolarHBondContact O-N 2.78Å; Y1232-Y1236 PolarHBondContact O-N 3.37Å; Y1232-Y1236 VanDerWaalsContact O-N 3.12Å |
| 1233 | I | 90.2 | Very high | 84 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.9 | -44.4 | 175 | -65.1 | -69.4 | 0 | 0 | 0 | 110.5 | A1094 V1097 L1098 F1229 D1230 Y1236 A1237 L1252 L1253 W1256 | A1094-I1233 HydrophobicContact CB-CD1 4.01Å; V1097-I1233 HydrophobicContact CB-CD1 4.45Å; V1097-I1233 HydrophobicContact CG1-CD1 4.05Å; V1097-I1233 HydrophobicContact CG1-CG1 3.99Å; L1098-I1233 HydrophobicContact CG-CD1 4.44Å; F1229-I1233 WeakPolarHBondContact O-CG1 3.48Å; F1229-I1233 PolarHBondContact O-N 3.4Å; D1230-I1233 PolarHBondContact O-N 2.97Å; I1233-Y1236 PolarHBondContact O-N 3.05Å; I1233-A1237 WeakPolarHBondContact O-CB 3.24Å; I1233-A1237 PolarHBondContact O-N 3.43Å; I1233-L1252 HydrophobicContact CD1-CD1 4.19Å; I1233-L1252 HydrophobicContact CG2-CG 4.39Å; I1233-L1253 HydrophobicContact CG2-CD2 4.22Å; I1233-W1256 HydrophobicContact CG1-CD2 3.98Å; I1233-W1256 HydrophobicContact CG1-CE3 4.24Å; I1233-W1256 HydrophobicContact CG1-CG 4.16Å; I1233-W1256 HydrophobicContact CG2-CB 4.23Å; I1233-W1256 HydrophobicContact CG2-CG 4.12Å |
| 1234 | Y | 87.2 | Confident | 84.7 | Confident | 112 Ų | 112 | 53.1 Ų | 53.1 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 178.9 | 176 | -93.8 | 0 | 0 | 0 | 113.1 | D1230 H1231 A1237 S1238 Y1271 | D1230-Y1234 VanDerWaalsContact O-CB 3.22Å; D1230-Y1234 WeakPolarHBondContact O-CB 3.41Å; D1230-Y1234 PolarHBondContact O-N 3.48Å; H1231-Y1234 PolarHBondContact O-N 3.48Å; Y1234-A1237 PolarHBondContact O-N 2.94Å; Y1234-S1238 WeakPolarHBondContact O-CB 3.47Å; Y1234-S1238 PolarHBondContact O-N 3.14Å; Y1234-S1238 PolarHBondContact O-OG 2.92Å; Y1234-Y1271 HydrophobicContact CD2-CE2 4.11Å; Y1234-Y1271 HydrophobicContact CE2-CE2 4.07Å; Y1234-Y1271 AromaticContact CE2-CZ 3.99Å |
| 1235 | V | 87.4 | Confident | 85.2 | Confident | 43 Ų | 43 | 48.5 Ų | 48.5 | 26% | 0.261 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.8 | -42.8 | 178.7 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | V1090 H1231 S1238 I1239 | V1090-V1235 HydrophobicContact CG1-CB 3.96Å; V1090-V1235 HydrophobicContact CG1-CG1 3.91Å; V1090-V1235 HydrophobicContact CG2-CG1 4.23Å; H1231-V1235 WeakPolarHBondContact O-CG2 3.45Å; H1231-V1235 PolarHBondContact O-N 3.05Å; V1235-S1238 WeakPolarHBondContact O-CB 3.37Å; V1235-S1238 PolarHBondContact O-N 3.21Å; V1235-I1239 HydrophobicContact CG1-CD1 4.43Å; V1235-I1239 WeakPolarHBondContact O-CG1 3.3Å; V1235-I1239 PolarHBondContact O-N 3.4Å; V1235-I1239 VanDerWaalsContact O-N 3.07Å |
| 1236 | Y | 90.4 | Very high | 85.5 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65 | -40.9 | 175 | -173.7 | -136.3 | 0 | 0 | 0 | 112 | Q1091 A1094 Y1232 I1233 S1238 I1239 I1240 L1252 | Q1091-Y1236 HydrophobicContact CB-CD2 4.21Å; Q1091-Y1236 HydrophobicContact CB-CE2 3.84Å; Q1091-Y1236 HydrophobicContact CG-CE2 3.76Å; A1094-Y1236 HydrophobicContact CB-CD1 3.45Å; A1094-Y1236 VanDerWaalsContact CB-CD1 3.45Å; A1094-Y1236 HydrophobicContact CB-CE1 4.3Å; A1094-Y1236 HydrophobicContact CB-CG 3.94Å; Y1232-Y1236 PolarHBondContact O-N 3.37Å; Y1232-Y1236 VanDerWaalsContact O-N 3.12Å; I1233-Y1236 PolarHBondContact O-N 3.05Å; Y1236-S1238 VanDerWaalsContact C-N 3.34Å; Y1236-S1238 PolarHBondContact O-N 3.45Å; Y1236-I1239 PolarHBondContact O-N 2.86Å; Y1236-I1240 HydrophobicContact CD1-CD1 3.98Å; Y1236-I1240 HydrophobicContact CD2-CD1 4.29Å; Y1236-I1240 HydrophobicContact CD2-CG1 4.41Å; Y1236-I1240 HydrophobicContact CE1-CD1 3.8Å; Y1236-I1240 HydrophobicContact CE2-CD1 4.11Å; Y1236-I1240 HydrophobicContact CE2-CG1 4.19Å; Y1236-I1240 HydrophobicContact CG-CD1 4.22Å; Y1236-I1240 WeakPolarHBondContact O-CG1 3.41Å; Y1236-I1240 PolarHBondContact O-N 3.36Å; Y1236-L1252 HydrophobicContact CD1-CD1 4.24Å; Y1236-L1252 HydrophobicContact CD1-CD2 3.49Å; Y1236-L1252 VanDerWaalsContact CD1-CD2 3.49Å; Y1236-L1252 HydrophobicContact CE1-CD2 4.16Å; Y1236-L1252 HydrophobicContact CG-CD2 4.17Å |
| 1237 | A | 88.9 | Confident | 85.9 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 2% | 0.017 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.2 | -44.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | I1233 Y1234 I1239 I1240 Y1241 H1249 L1252 L1253 | I1233-A1237 WeakPolarHBondContact O-CB 3.24Å; I1233-A1237 PolarHBondContact O-N 3.43Å; Y1234-A1237 PolarHBondContact O-N 2.94Å; A1237-I1239 VanDerWaalsContact C-N 3.31Å; A1237-I1239 PolarHBondContact O-N 3.27Å; A1237-I1240 PolarHBondContact O-N 3.11Å; A1237-Y1241 WeakPolarHBondContact O-CB 3.32Å; A1237-Y1241 PolarHBondContact O-N 3.39Å; A1237-H1249 PolarHBondContact O-CD2 3.16Å; A1237-H1249 VanDerWaalsContact O-CD2 3.28Å; A1237-L1252 HydrophobicContact CB-CD2 4Å; A1237-L1253 HydrophobicContact CB-CD2 3.78Å; A1237-L1253 HydrophobicContact CB-CG 4.34Å |
| 1238 | S | 85.4 | Confident | 86.4 | Confident | 46 Ų | 46 | 52.2 Ų | 52.2 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 177.8 | -60.1 | 0 | 0 | 0 | 0 | 112.4 | Y1234 V1235 Y1236 Y1241 S1242 | Y1234-S1238 WeakPolarHBondContact O-CB 3.47Å; Y1234-S1238 PolarHBondContact O-N 3.14Å; Y1234-S1238 PolarHBondContact O-OG 2.92Å; V1235-S1238 WeakPolarHBondContact O-CB 3.37Å; V1235-S1238 PolarHBondContact O-N 3.21Å; Y1236-S1238 VanDerWaalsContact C-N 3.34Å; Y1236-S1238 PolarHBondContact O-N 3.45Å; S1238-Y1241 PolarHBondContact O-N 3.5Å; S1238-S1242 WeakPolarHBondContact O-CB 3.25Å; S1238-S1242 PolarHBondContact O-N 3.32Å |
| 1239 | I | 85 | Confident | 86.6 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 19% | 0.185 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.5 | -52.4 | 173 | -66.2 | 165 | 0 | 0 | 0 | 110 | V1235 Y1236 A1237 Y1241 S1242 L1243 | V1235-I1239 HydrophobicContact CG1-CD1 4.43Å; V1235-I1239 WeakPolarHBondContact O-CG1 3.3Å; V1235-I1239 PolarHBondContact O-N 3.4Å; V1235-I1239 VanDerWaalsContact O-N 3.07Å; Y1236-I1239 PolarHBondContact O-N 2.86Å; A1237-I1239 VanDerWaalsContact C-N 3.31Å; A1237-I1239 PolarHBondContact O-N 3.27Å; I1239-Y1241 VanDerWaalsContact C-N 3.27Å; I1239-Y1241 PolarHBondContact O-N 3.1Å; I1239-S1242 PolarHBondContact O-N 3.27Å; I1239-S1242 PolarHBondContact O-OG 2.95Å; I1239-L1243 HydrophobicContact CG2-CD1 3.93Å; I1239-L1243 WeakPolarHBondContact O-CD1 3.36Å; I1239-L1243 WeakPolarHBondContact O-CG 3.3Å; I1239-L1243 PolarHBondContact O-N 3.11Å |
| 1240 | I | 87.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.5 | -38.9 | 179.2 | -60.8 | 163.3 | 0 | 0 | 0 | 111.5 | M1011 Y1236 A1237 L1243 E1245 L1248 H1249 L1252 | M1011-I1240 HydrophobicContact CG-CG1 4.46Å; M1011-I1240 HydrophobicContact SD-CG1 4.01Å; Y1236-I1240 HydrophobicContact CD1-CD1 3.98Å; Y1236-I1240 HydrophobicContact CD2-CD1 4.29Å; Y1236-I1240 HydrophobicContact CD2-CG1 4.41Å; Y1236-I1240 HydrophobicContact CE1-CD1 3.8Å; Y1236-I1240 HydrophobicContact CE2-CD1 4.11Å; Y1236-I1240 HydrophobicContact CE2-CG1 4.19Å; Y1236-I1240 HydrophobicContact CG-CD1 4.22Å; Y1236-I1240 WeakPolarHBondContact O-CG1 3.41Å; Y1236-I1240 PolarHBondContact O-N 3.36Å; A1237-I1240 PolarHBondContact O-N 3.11Å; I1240-L1243 PolarHBondContact O-N 2.84Å; I1240-E1245 HydrophobicContact CG2-CB 3.64Å; I1240-E1245 WeakPolarHBondContact CG2-O 3.34Å; I1240-E1245 PolarHBondContact O-N 2.74Å; I1240-L1248 HydrophobicContact CD1-CD2 4.27Å; I1240-L1248 HydrophobicContact CD1-CG 4.36Å; I1240-L1248 HydrophobicContact CG1-CD2 4.4Å; I1240-L1248 HydrophobicContact CG2-CB 3.87Å; I1240-L1248 HydrophobicContact CG2-CD2 3.99Å; I1240-L1248 HydrophobicContact CG2-CG 4.09Å; I1240-H1249 HydrophobicContact CB-CB 4.43Å; I1240-H1249 HydrophobicContact CG2-CB 3.9Å; I1240-L1252 HydrophobicContact CD1-CD2 3.76Å |
| 1241 | Y | 86.4 | Confident | 86.6 | Confident | 130 Ų | 130 | 60.3 Ų | 60.3 | 51% | 0.51 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.3 | -42 | 175.4 | -172.2 | -86.7 | 0 | 0 | 0 | 112.3 | A1237 S1238 I1239 L1243 H1244 Y1246 H1249 | A1237-Y1241 WeakPolarHBondContact O-CB 3.32Å; A1237-Y1241 PolarHBondContact O-N 3.39Å; S1238-Y1241 PolarHBondContact O-N 3.5Å; I1239-Y1241 VanDerWaalsContact C-N 3.27Å; I1239-Y1241 PolarHBondContact O-N 3.1Å; Y1241-L1243 PolarHBondContact O-N 2.75Å; Y1241-H1244 PolarHBondContact O-N 2.77Å; Y1241-Y1246 AromaticContact CD2-CD1 3.84Å; Y1241-Y1246 HydrophobicContact CD2-CD1 3.84Å; Y1241-Y1246 AromaticContact CD2-CE1 3.94Å; Y1241-Y1246 HydrophobicContact CD2-CE1 3.94Å; Y1241-Y1246 HydrophobicContact CE1-CE1 4.44Å; Y1241-Y1246 AromaticContact CE2-CD1 3.79Å; Y1241-Y1246 HydrophobicContact CE2-CD1 3.79Å; Y1241-Y1246 AromaticContact CE2-CE1 3.69Å; Y1241-Y1246 HydrophobicContact CE2-CE1 3.69Å; Y1241-Y1246 HydrophobicContact CG-CE1 4.42Å; Y1241-Y1246 AromaticContact CZ-CE1 3.96Å; Y1241-H1249 AromaticContact CD2-CE1 4Å |
| 1242 | S | 80.1 | Confident | 86.7 | Confident | 31 Ų | 31 | 55 Ų | 55 | 22% | 0.217 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.9 | -16.7 | 176.5 | 77.2 | 0 | 0 | 0 | 0 | 114.1 | N805 S1238 I1239 | N805-S1242 PolarHBondContact ND2-O 2.92Å; S1238-S1242 WeakPolarHBondContact O-CB 3.25Å; S1238-S1242 PolarHBondContact O-N 3.32Å; I1239-S1242 PolarHBondContact O-N 3.27Å; I1239-S1242 PolarHBondContact O-OG 2.95Å |
| 1243 | L | 81.7 | Confident | 86.5 | Confident | 27 Ų | 27 | 55.4 Ų | 55.4 | 14% | 0.141 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 4.6 | 176 | -62.8 | 163.2 | 0 | 0 | 0 | 112.9 | W1006 M1011 I1239 I1240 Y1241 E1245 | W1006-L1243 HydrophobicContact CD2-CD1 4.5Å; W1006-L1243 HydrophobicContact CE3-CD1 4.3Å; W1006-L1243 HydrophobicContact CH2-CD1 3.26Å; W1006-L1243 HydrophobicContact CH2-CD2 3.78Å; W1006-L1243 HydrophobicContact CH2-CG 4.15Å; W1006-L1243 HydrophobicContact CZ2-CD1 3.5Å; W1006-L1243 HydrophobicContact CZ2-CD2 3.52Å; W1006-L1243 HydrophobicContact CZ2-CG 4.15Å; W1006-L1243 HydrophobicContact CZ3-CD1 3.67Å; M1011-L1243 HydrophobicContact CE-CD1 4.21Å; M1011-L1243 HydrophobicContact SD-CD1 3.71Å; I1239-L1243 HydrophobicContact CG2-CD1 3.93Å; I1239-L1243 WeakPolarHBondContact O-CD1 3.36Å; I1239-L1243 WeakPolarHBondContact O-CG 3.3Å; I1239-L1243 PolarHBondContact O-N 3.11Å; I1240-L1243 PolarHBondContact O-N 2.84Å; Y1241-L1243 PolarHBondContact O-N 2.75Å; L1243-E1245 HydrophobicContact CB-CG 4.39Å; L1243-E1245 PolarHBondContact O-N 2.93Å |
| 1244 | H | 83.4 | Confident | 86.2 | Confident | 130 Ų | 130 | 64.5 Ų | 64.5 | 60% | 0.602 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 13.8 | -175.2 | -52.2 | -87 | 0 | 0 | 0 | 115.3 | Y1241 Y1246 | Y1241-H1244 PolarHBondContact O-N 2.77Å; H1244-Y1246 HydrophobicContact CB-CE2 4.06Å; H1244-Y1246 AromaticContact ND1-CZ 3.84Å; H1244-Y1246 PolarHBondContact ND1-OH 3.31Å; H1244-Y1246 WeakPolarHBondContact O-CD2 3.45Å; H1244-Y1246 WeakPolarHBondContact O-CE2 3.18Å; H1244-Y1246 PolarHBondContact O-N 3.23Å |
| 1245 | E | 86.4 | Confident | 86 | Confident | 56 Ų | 56 | 59.9 Ų | 59.9 | 26% | 0.262 | 29% | 0.285 | S | S | . | . | trans | -84.7 | 55.7 | -176.9 | -71.6 | -64.3 | 171.7 | 0 | 0 | 112.5 | M1011 Y1012 I1240 L1243 I1247 L1248 H1249 | M1011-E1245 HydrophobicContact CE-CG 3.93Å; Y1012-E1245 VanDerWaalsContact CE1-CD 3.48Å; Y1012-E1245 HydrophobicContact CE1-CG 4.1Å; Y1012-E1245 VanDerWaalsContact CE1-OE1 3.23Å; Y1012-E1245 WeakPolarHBondContact CE1-OE1 3.5Å; Y1012-E1245 VanDerWaalsContact CZ-OE1 3.31Å; Y1012-E1245 PolarHBondContact OH-OE1 3.09Å; I1240-E1245 HydrophobicContact CG2-CB 3.64Å; I1240-E1245 WeakPolarHBondContact CG2-O 3.34Å; I1240-E1245 PolarHBondContact O-N 2.74Å; L1243-E1245 HydrophobicContact CB-CG 4.39Å; L1243-E1245 PolarHBondContact O-N 2.93Å; E1245-I1247 PolarHBondContact O-N 3.26Å; E1245-I1247 VanDerWaalsContact O-N 3.09Å; E1245-L1248 HydrophobicContact CB-CB 4.29Å; E1245-L1248 PolarHBondContact O-N 3.16Å; E1245-H1249 PolarHBondContact O-N 3.13Å | ||
| 1246 | Y | 86.7 | Confident | 85.8 | Confident | 115 Ų | 115 | 57.9 Ų | 57.9 | 45% | 0.451 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57 | -31 | -169.9 | -53.2 | -57.7 | 0 | 0 | 0 | 114.3 | Y1241 H1244 A1250 | Y1241-Y1246 AromaticContact CD2-CD1 3.84Å; Y1241-Y1246 HydrophobicContact CD2-CD1 3.84Å; Y1241-Y1246 AromaticContact CD2-CE1 3.94Å; Y1241-Y1246 HydrophobicContact CD2-CE1 3.94Å; Y1241-Y1246 HydrophobicContact CE1-CE1 4.44Å; Y1241-Y1246 AromaticContact CE2-CD1 3.79Å; Y1241-Y1246 HydrophobicContact CE2-CD1 3.79Å; Y1241-Y1246 AromaticContact CE2-CE1 3.69Å; Y1241-Y1246 HydrophobicContact CE2-CE1 3.69Å; Y1241-Y1246 HydrophobicContact CG-CE1 4.42Å; Y1241-Y1246 AromaticContact CZ-CE1 3.96Å; H1244-Y1246 HydrophobicContact CB-CE2 4.06Å; H1244-Y1246 AromaticContact ND1-CZ 3.84Å; H1244-Y1246 PolarHBondContact ND1-OH 3.31Å; H1244-Y1246 WeakPolarHBondContact O-CD2 3.45Å; H1244-Y1246 WeakPolarHBondContact O-CE2 3.18Å; H1244-Y1246 PolarHBondContact O-N 3.23Å; Y1246-A1250 WeakPolarHBondContact O-CB 3.47Å; Y1246-A1250 PolarHBondContact O-N 3.23Å |
| 1247 | I | 87.7 | Confident | 85.1 | Confident | 122 Ų | 122 | 58.2 Ų | 58.2 | 63% | 0.626 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -70.8 | -42.7 | 177.2 | -60.9 | 176.4 | 0 | 0 | 0 | 110.7 | E1245 A1250 R1251 | E1245-I1247 PolarHBondContact O-N 3.26Å; E1245-I1247 VanDerWaalsContact O-N 3.09Å; I1247-A1250 PolarHBondContact O-N 2.65Å; I1247-R1251 VanDerWaalsContact O-CG 3.32Å; I1247-R1251 WeakPolarHBondContact O-CG 3.35Å; I1247-R1251 PolarHBondContact O-N 2.95Å |
| 1248 | L | 87.5 | Confident | 84.2 | Confident | 19 Ų | 19 | 62.5 Ų | 62.5 | 10% | 0.099 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70 | -40.4 | 178.3 | -173.6 | 69 | 0 | 0 | 0 | 111 | M1011 L1016 I1240 E1245 A1250 R1251 L1252 | M1011-L1248 HydrophobicContact CE-CD2 4.33Å; M1011-L1248 HydrophobicContact CG-CD2 3.46Å; M1011-L1248 VanDerWaalsContact CG-CD2 3.46Å; M1011-L1248 VanDerWaalsContact O-CD2 3.29Å; M1011-L1248 WeakPolarHBondContact O-CD2 3.49Å; M1011-L1248 HydrophobicContact SD-CD2 4.11Å; L1016-L1248 HydrophobicContact CD1-CD1 3.72Å; I1240-L1248 HydrophobicContact CD1-CD2 4.27Å; I1240-L1248 HydrophobicContact CD1-CG 4.36Å; I1240-L1248 HydrophobicContact CG1-CD2 4.4Å; I1240-L1248 HydrophobicContact CG2-CB 3.87Å; I1240-L1248 HydrophobicContact CG2-CD2 3.99Å; I1240-L1248 HydrophobicContact CG2-CG 4.09Å; E1245-L1248 HydrophobicContact CB-CB 4.29Å; E1245-L1248 PolarHBondContact O-N 3.16Å; L1248-A1250 PolarHBondContact O-N 2.93Å; L1248-R1251 WeakPolarHBondContact O-CB 3.48Å; L1248-R1251 PolarHBondContact O-N 3.2Å; L1248-R1251 VanDerWaalsContact O-N 3.17Å; L1248-L1252 PolarHBondContact O-N 2.68Å |
| 1249 | H | 88.3 | Confident | 83 | Confident | 42 Ų | 42 | 60.3 Ų | 60.3 | 19% | 0.194 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -53.7 | -51.2 | 171.3 | 169.8 | -102.3 | 0 | 0 | 0 | 111.4 | A1237 I1240 Y1241 E1245 R1251 L1252 L1253 | A1237-H1249 PolarHBondContact O-CD2 3.16Å; A1237-H1249 VanDerWaalsContact O-CD2 3.28Å; I1240-H1249 HydrophobicContact CB-CB 4.43Å; I1240-H1249 HydrophobicContact CG2-CB 3.9Å; Y1241-H1249 AromaticContact CD2-CE1 4Å; E1245-H1249 PolarHBondContact O-N 3.13Å; H1249-R1251 VanDerWaalsContact C-N 3.34Å; H1249-R1251 PolarHBondContact O-N 3.4Å; H1249-L1252 PolarHBondContact O-N 3.35Å; H1249-L1253 WeakPolarHBondContact O-CG 3.49Å; H1249-L1253 PolarHBondContact O-N 2.88Å |
| 1250 | A | 84.5 | Confident | 82 | Confident | 55 Ų | 55 | 59.6 Ų | 59.6 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.5 | -34.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1246 I1247 L1248 R1254 | Y1246-A1250 WeakPolarHBondContact O-CB 3.47Å; Y1246-A1250 PolarHBondContact O-N 3.23Å; I1247-A1250 PolarHBondContact O-N 2.65Å; L1248-A1250 PolarHBondContact O-N 2.93Å; A1250-R1254 WeakPolarHBondContact O-CB 3.48Å; A1250-R1254 PolarHBondContact O-N 3.01Å |
| 1251 | R | 86.9 | Confident | 80.4 | Confident | 152 Ų | 152 | 67.2 Ų | 67.2 | 57% | 0.574 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.4 | -47.9 | 174.1 | -76 | 171 | 176.1 | -179 | -0.9 | 111.8 | L1016 I1247 L1248 H1249 R1254 S1255 | L1016-R1251 HydrophobicContact CD1-CB 3.96Å; I1247-R1251 VanDerWaalsContact O-CG 3.32Å; I1247-R1251 WeakPolarHBondContact O-CG 3.35Å; I1247-R1251 PolarHBondContact O-N 2.95Å; L1248-R1251 WeakPolarHBondContact O-CB 3.48Å; L1248-R1251 PolarHBondContact O-N 3.2Å; L1248-R1251 VanDerWaalsContact O-N 3.17Å; H1249-R1251 VanDerWaalsContact C-N 3.34Å; H1249-R1251 PolarHBondContact O-N 3.4Å; R1251-R1254 WeakPolarHBondContact O-CB 3.42Å; R1251-R1254 PolarHBondContact O-N 3.17Å; R1251-S1255 PolarHBondContact O-N 3.22Å; R1251-S1255 PolarHBondContact O-OG 3.42Å |
| 1252 | L | 88.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58 | -52.1 | 179.3 | 176.5 | 64.9 | 0 | 0 | 0 | 111.9 | L1016 L1098 I1233 Y1236 A1237 I1240 L1248 H1249 R1254 S1255 W1256 | L1016-L1252 HydrophobicContact CD1-CB 4.23Å; L1016-L1252 HydrophobicContact CD2-CD1 4.36Å; L1098-L1252 HydrophobicContact CD1-CD1 4.12Å; I1233-L1252 HydrophobicContact CD1-CD1 4.19Å; I1233-L1252 HydrophobicContact CG2-CG 4.39Å; Y1236-L1252 HydrophobicContact CD1-CD1 4.24Å; Y1236-L1252 HydrophobicContact CD1-CD2 3.49Å; Y1236-L1252 VanDerWaalsContact CD1-CD2 3.49Å; Y1236-L1252 HydrophobicContact CE1-CD2 4.16Å; Y1236-L1252 HydrophobicContact CG-CD2 4.17Å; A1237-L1252 HydrophobicContact CB-CD2 4Å; I1240-L1252 HydrophobicContact CD1-CD2 3.76Å; L1248-L1252 PolarHBondContact O-N 2.68Å; H1249-L1252 PolarHBondContact O-N 3.35Å; L1252-R1254 VanDerWaalsContact C-N 3.25Å; L1252-R1254 PolarHBondContact O-N 3.37Å; L1252-S1255 PolarHBondContact O-N 3.34Å; L1252-W1256 PolarHBondContact O-N 3.43Å |
| 1253 | L | 86.6 | Confident | 77.6 | Confident | 42 Ų | 42 | 62.9 Ų | 62.9 | 22% | 0.22 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.8 | -31.4 | 178.6 | -60.8 | 178.7 | 0 | 0 | 0 | 112 | I1233 A1237 H1249 S1257 W1269 | I1233-L1253 HydrophobicContact CG2-CD2 4.22Å; A1237-L1253 HydrophobicContact CB-CD2 3.78Å; A1237-L1253 HydrophobicContact CB-CG 4.34Å; H1249-L1253 WeakPolarHBondContact O-CG 3.49Å; H1249-L1253 PolarHBondContact O-N 2.88Å; L1253-S1257 VanDerWaalsContact O-CB 3.27Å; L1253-S1257 WeakPolarHBondContact O-CB 3.47Å; L1253-S1257 PolarHBondContact O-N 3.1Å; L1253-S1257 VanDerWaalsContact O-N 3.08Å; L1253-S1257 PolarHBondContact O-OG 2.87Å; L1253-W1269 HydrophobicContact CB-CH2 3.96Å; L1253-W1269 HydrophobicContact CB-CZ3 4.43Å; L1253-W1269 HydrophobicContact CD2-CH2 3.65Å; L1253-W1269 HydrophobicContact CD2-CZ2 4.18Å; L1253-W1269 HydrophobicContact CG-CH2 4.32Å |
| 1254 | R | 83.1 | Confident | 75.8 | Confident | 190 Ų | 190 | 67.7 Ų | 67.7 | 72% | 0.717 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -69.3 | -46.8 | 174.2 | -177.6 | 173.5 | 176.7 | 138.4 | -0.2 | 112.3 | A1250 R1251 L1252 W1256 S1257 Y1258 | A1250-R1254 WeakPolarHBondContact O-CB 3.48Å; A1250-R1254 PolarHBondContact O-N 3.01Å; R1251-R1254 WeakPolarHBondContact O-CB 3.42Å; R1251-R1254 PolarHBondContact O-N 3.17Å; L1252-R1254 VanDerWaalsContact C-N 3.25Å; L1252-R1254 PolarHBondContact O-N 3.37Å; R1254-W1256 VanDerWaalsContact C-N 3.34Å; R1254-W1256 PolarHBondContact O-N 3.18Å; R1254-S1257 PolarHBondContact O-N 3.34Å; R1254-S1257 PolarHBondContact O-OG 3.13Å; R1254-Y1258 WeakPolarHBondContact O-CB 3.34Å; R1254-Y1258 PolarHBondContact O-N 3.38Å |
| 1255 | S | 84.3 | Confident | 74 | Confident | 16 Ų | 16 | 65 Ų | 65 | 11% | 0.112 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.4 | -42.2 | -179.5 | -62.1 | 0 | 0 | 0 | 0 | 112.1 | L1016 R1251 L1252 N1259 | L1016-S1255 WeakPolarHBondContact O-CB 3.26Å; L1016-S1255 PolarHBondContact O-OG 3.49Å; R1251-S1255 PolarHBondContact O-N 3.22Å; R1251-S1255 PolarHBondContact O-OG 3.42Å; L1252-S1255 PolarHBondContact O-N 3.34Å; S1255-N1259 PolarHBondContact O-N 3.43Å |
| 1256 | W | 83.2 | Confident | 72 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.2 | -52.2 | 175 | 176.3 | -111.6 | 0 | 0 | 0 | 112.6 | V1097 L1098 Q1101 L1226 F1229 D1230 I1233 L1252 R1254 Y1258 N1259 I1260 W1269 | V1097-W1256 HydrophobicContact CG1-CE3 3.61Å; V1097-W1256 HydrophobicContact CG1-CH2 3.77Å; V1097-W1256 HydrophobicContact CG1-CZ3 3.15Å; L1098-W1256 HydrophobicContact CD2-CB 4.21Å; Q1101-W1256 HydrophobicContact CB-CZ3 4.36Å; Q1101-W1256 VanDerWaalsContact CD-CE3 3.4Å; Q1101-W1256 HydrophobicContact CG-CZ3 4.12Å; Q1101-W1256 PolarHBondContact NE2-O 3.45Å; L1226-W1256 HydrophobicContact CD2-CH2 4.24Å; F1229-W1256 HydrophobicContact CB-CH2 3.64Å; F1229-W1256 HydrophobicContact CB-CZ2 4.11Å; F1229-W1256 HydrophobicContact CB-CZ3 4.42Å; F1229-W1256 HydrophobicContact CD2-CH2 4.32Å; D1230-W1256 VanDerWaalsContact OD1-CE2 3.3Å; D1230-W1256 VanDerWaalsContact OD1-CZ2 3.31Å; D1230-W1256 WeakPolarHBondContact OD1-CZ2 3.31Å; D1230-W1256 PolarHBondContact OD1-NE1 3.17Å; I1233-W1256 HydrophobicContact CG1-CD2 3.98Å; I1233-W1256 HydrophobicContact CG1-CE3 4.24Å; I1233-W1256 HydrophobicContact CG1-CG 4.16Å; I1233-W1256 HydrophobicContact CG2-CB 4.23Å; I1233-W1256 HydrophobicContact CG2-CG 4.12Å; L1252-W1256 PolarHBondContact O-N 3.43Å; R1254-W1256 VanDerWaalsContact C-N 3.34Å; R1254-W1256 PolarHBondContact O-N 3.18Å; W1256-Y1258 VanDerWaalsContact C-N 3.35Å; W1256-Y1258 PolarHBondContact O-N 3.43Å; W1256-N1259 PolarHBondContact O-N 3.08Å; W1256-I1260 HydrophobicContact CD2-CD1 4.42Å; W1256-I1260 HydrophobicContact CZ2-CD1 3.99Å; W1256-I1260 HydrophobicContact CZ2-CG1 4.46Å; W1256-I1260 PolarHBondContact O-N 3.02Å; W1256-W1269 AromaticContact CD1-CE2 3.56Å; W1256-W1269 AromaticContact CD1-CH2 3.86Å; W1256-W1269 AromaticContact CD1-CZ2 3.3Å; W1256-W1269 AromaticContact CD1-NE1 3.84Å; W1256-W1269 HydrophobicContact CG-CZ2 4.49Å; W1256-W1269 AromaticContact NE1-CE2 3.63Å; W1256-W1269 AromaticContact NE1-CZ2 3.76Å; W1256-W1269 AromaticContact NE1-NE1 3.38Å |
| 1257 | S | 74.7 | Confident | 70 | Confident | 11 Ų | 11 | 64.6 Ų | 64.6 | 8% | 0.077 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -74.6 | -19.3 | -176.3 | 66 | 0 | 0 | 0 | 0 | 114.7 | L1253 R1254 R1261 | L1253-S1257 VanDerWaalsContact O-CB 3.27Å; L1253-S1257 WeakPolarHBondContact O-CB 3.47Å; L1253-S1257 PolarHBondContact O-N 3.1Å; L1253-S1257 VanDerWaalsContact O-N 3.08Å; L1253-S1257 PolarHBondContact O-OG 2.87Å; R1254-S1257 PolarHBondContact O-N 3.34Å; R1254-S1257 PolarHBondContact O-OG 3.13Å; S1257-R1261 PolarHBondContact O-N 3.25Å; S1257-R1261 PolarHBondContact O-NE 3.22Å; S1257-R1261 PolarHBondContact O-NH2 2.95Å; S1257-R1261 PolarHBondContact OG-NH2 3.49Å |
| 1258 | Y | 70.6 | Confident | 68 | Low | 93 Ų | 93 | 63.9 Ų | 63.9 | 37% | 0.365 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.6 | -47.8 | 169.2 | 170.7 | -124.6 | 0 | 0 | 0 | 110.5 | E1019 R1105 R1254 W1256 R1261 A1262 | E1019-Y1258 HydrophobicContact CG-CE1 4.24Å; R1105-Y1258 PolarHBondContact NH1-OH 2.97Å; R1254-Y1258 WeakPolarHBondContact O-CB 3.34Å; R1254-Y1258 PolarHBondContact O-N 3.38Å; W1256-Y1258 VanDerWaalsContact C-N 3.35Å; W1256-Y1258 PolarHBondContact O-N 3.43Å; Y1258-R1261 PolarHBondContact O-N 3.43Å; Y1258-A1262 PolarHBondContact O-N 3.06Å; Y1258-A1262 VanDerWaalsContact O-N 3.11Å |
| 1259 | N | 59.9 | Low | 66 | Low | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.4 | -30.8 | 178 | -76 | -7 | 0 | 0 | 0 | 113.1 | T1018 Q1101 S1255 W1256 A1262 N1263 | T1018-N1259 WeakPolarHBondContact CB-ND2 3.41Å; T1018-N1259 WeakPolarHBondContact CG2-ND2 3.4Å; T1018-N1259 PolarHBondContact OG1-OD1 2.94Å; Q1101-N1259 HydrophobicContact CG-CB 3.76Å; Q1101-N1259 PolarHBondContact OE1-ND2 3.1Å; S1255-N1259 PolarHBondContact O-N 3.43Å; W1256-N1259 PolarHBondContact O-N 3.08Å; N1259-A1262 PolarHBondContact O-N 3.48Å; N1259-N1263 PolarHBondContact O-OD1 3.19Å |
| 1260 | I | 63.4 | Low | 63.9 | Low | 21 Ų | 21 | 65.9 Ų | 65.9 | 11% | 0.108 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.2 | -48.9 | 169.2 | -69.4 | -178.1 | 0 | 0 | 0 | 109.7 | W1256 A1262 N1263 W1269 | W1256-I1260 HydrophobicContact CD2-CD1 4.42Å; W1256-I1260 HydrophobicContact CZ2-CD1 3.99Å; W1256-I1260 HydrophobicContact CZ2-CG1 4.46Å; W1256-I1260 PolarHBondContact O-N 3.02Å; I1260-A1262 PolarHBondContact O-N 2.99Å; I1260-N1263 PolarHBondContact O-N 2.91Å; I1260-N1263 VanDerWaalsContact O-N 3.14Å; I1260-W1269 HydrophobicContact CD1-CG 4.28Å |
| 1261 | R | 55.3 | Low | 62.1 | Low | 159 Ų | 159 | 69.8 Ų | 69.8 | 60% | 0.6 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -68.6 | -15.3 | -178.5 | -78.3 | 175.4 | -79 | -158.3 | -5.8 | 114.5 | S1257 Y1258 | S1257-R1261 PolarHBondContact O-N 3.25Å; S1257-R1261 PolarHBondContact O-NE 3.22Å; S1257-R1261 PolarHBondContact O-NH2 2.95Å; S1257-R1261 PolarHBondContact OG-NH2 3.49Å; Y1258-R1261 PolarHBondContact O-N 3.43Å |
| 1262 | A | 54.8 | Low | 60 | Low | 47 Ų | 47 | 65 Ų | 65 | 39% | 0.388 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -80.8 | -25.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y1258 N1259 I1260 | Y1258-A1262 PolarHBondContact O-N 3.06Å; Y1258-A1262 VanDerWaalsContact O-N 3.11Å; N1259-A1262 PolarHBondContact O-N 3.48Å; I1260-A1262 PolarHBondContact O-N 2.99Å |
| 1263 | N | 51.8 | Low | 57.6 | Low | 24 Ų | 24 | 71.7 Ų | 71.7 | 13% | 0.128 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -99.6 | 121.2 | -179 | -62 | 18.2 | 0 | 0 | 0 | 108.4 | N1104 E1108 N1259 I1260 L1265 | N1104-N1263 PolarHBondContact ND2-ND2 3.35Å; E1108-N1263 PolarHBondContact OE2-ND2 3.46Å; N1259-N1263 PolarHBondContact O-OD1 3.19Å; I1260-N1263 PolarHBondContact O-N 2.91Å; I1260-N1263 VanDerWaalsContact O-N 3.14Å; N1263-L1265 PolarHBondContact O-N 3.29Å |
| 1264 | S | 44.1 | Very low | 55.1 | Low | 127 Ų | 127 | 76 Ų | 76 | 89% | 0.888 | 40% | 0.396 | S | S | * | . | trans | -72.4 | 34.6 | -166.6 | 51 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1265 | L | 46.2 | Very low | 52.9 | Low | 75 Ų | 75 | 72.4 Ų | 72.4 | 39% | 0.393 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -96.2 | 143 | 176.3 | -75.1 | 151 | 0 | 0 | 0 | 110.7 | N1263 H1267 | N1263-L1265 PolarHBondContact O-N 3.29Å; L1265-H1267 PolarHBondContact O-N 2.98Å |
| 1266 | S | 44.1 | Very low | 50.6 | Low | 124 Ų | 124 | 76.2 Ų | 76.2 | 87% | 0.867 | 42% | 0.424 | S | S | * | . | trans | -72.8 | 36.8 | -178.5 | 48.9 | 0 | 0 | 0 | 0 | 114.7 | V1268 | S1266-V1268 PolarHBondContact O-N 3.49Š| ||
| 1267 | H | 45 | Very low | 48.6 | Very low | 37 Ų | 37 | 80.8 Ų | 80.8 | 17% | 0.171 | 45% | 0.448 | C | S | . | . | trans | -82.2 | 81.3 | -179.6 | -166.3 | -75.3 | 0 | 0 | 0 | 111.3 | L1226 D1230 L1265 W1269 | L1226-H1267 HydrophobicContact CD1-CB 4.48Å; L1226-H1267 VanDerWaalsContact CD1-CD2 3.47Å; L1226-H1267 WeakPolarHBondContact CD1-CD2 3.49Å; D1230-H1267 IonicContact OD2-CE1 3.68Å; D1230-H1267 PolarHBondContact OD2-CE1 3.23Å; L1265-H1267 PolarHBondContact O-N 2.98Å; H1267-W1269 PolarHBondContact O-N 3.28Å | ||
| 1268 | V | 45.2 | Very low | 47.3 | Very low | 108 Ų | 108 | 85 Ų | 85 | 66% | 0.655 | 47% | 0.468 | S | S | * | . | trans | -60.2 | 110.6 | 171.9 | -178.6 | 0 | 0 | 0 | 0 | 109 | L1174 S1266 | L1174-V1268 HydrophobicContact CD2-CG1 4.42Å; S1266-V1268 PolarHBondContact O-N 3.49Å | ||
| 1269 | W | 44.8 | Very low | 46.5 | Very low | 49 Ų | 49 | 84.5 Ų | 84.5 | 19% | 0.186 | 47% | 0.471 | C | S | . | . | trans | -71.8 | 126.8 | 176.7 | -158.6 | 43.7 | 0 | 0 | 0 | 109 | D1230 L1253 W1256 I1260 H1267 Y1271 | D1230-W1269 VanDerWaalsContact CG-NE1 3.28Å; D1230-W1269 VanDerWaalsContact OD1-CD1 3.22Å; D1230-W1269 PolarHBondContact OD1-NE1 3.37Å; D1230-W1269 PolarHBondContact OD2-NE1 3.17Å; L1253-W1269 HydrophobicContact CB-CH2 3.96Å; L1253-W1269 HydrophobicContact CB-CZ3 4.43Å; L1253-W1269 HydrophobicContact CD2-CH2 3.65Å; L1253-W1269 HydrophobicContact CD2-CZ2 4.18Å; L1253-W1269 HydrophobicContact CG-CH2 4.32Å; W1256-W1269 AromaticContact CD1-CE2 3.56Å; W1256-W1269 AromaticContact CD1-CH2 3.86Å; W1256-W1269 AromaticContact CD1-CZ2 3.3Å; W1256-W1269 AromaticContact CD1-NE1 3.84Å; W1256-W1269 HydrophobicContact CG-CZ2 4.49Å; W1256-W1269 AromaticContact NE1-CE2 3.63Å; W1256-W1269 AromaticContact NE1-CZ2 3.76Å; W1256-W1269 AromaticContact NE1-NE1 3.38Å; I1260-W1269 HydrophobicContact CD1-CG 4.28Å; H1267-W1269 PolarHBondContact O-N 3.28Å; W1269-Y1271 PolarHBondContact O-N 3.31Å | ||
| 1270 | P | 44.6 | Very low | 46.2 | Very low | 53 Ų | 53 | 88.3 Ų | 88.3 | 34% | 0.344 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -70 | -6.7 | -165.1 | 25.4 | -34.8 | 0 | 0 | 0 | 114.9 | ||
| 1271 | Y | 46.8 | Very low | 46.1 | Very low | 138 Ų | 138 | 89.4 Ų | 89.4 | 54% | 0.541 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -97.7 | 103.1 | 169.8 | -72.5 | -81 | 0 | 0 | 0 | 110.1 | Y1234 W1269 | Y1234-Y1271 HydrophobicContact CD2-CE2 4.11Å; Y1234-Y1271 HydrophobicContact CE2-CE2 4.07Å; Y1234-Y1271 AromaticContact CE2-CZ 3.99Å; W1269-Y1271 PolarHBondContact O-N 3.31Å |
| 1272 | V | 42.7 | Very low | 46.4 | Very low | 51 Ų | 51 | 82 Ų | 82 | 31% | 0.309 | 47% | 0.473 | S | S | . | . | trans | -82 | 154.9 | -157.7 | 168.7 | 0 | 0 | 0 | 0 | 113.7 | L1174 T1274 | L1174-V1272 HydrophobicContact CD2-CG2 3.9Å; L1174-V1272 HydrophobicContact CG-CG2 4.19Å; V1272-T1274 PolarHBondContact O-N 3.04Å | ||
| 1273 | Q | 37.7 | Very low | 46.4 | Very low | 140 Ų | 140 | 81.5 Ų | 81.5 | 65% | 0.654 | 47% | 0.466 | S | S | * | . | trans | -61.5 | 103.2 | 176.3 | -71.2 | 168.6 | -112.6 | 0 | 0 | 112.1 | N1275 | Q1273-N1275 VanDerWaalsContact C-N 3.33Å; Q1273-N1275 PolarHBondContact O-N 3.48Å | ||
| 1274 | T | 34.7 | Very low | 46.7 | Very low | 134 Ų | 134 | 83.7 Ų | 83.7 | 82% | 0.822 | 48% | 0.478 | S | S | * | . | trans | -75.3 | 84.7 | 167.4 | 45.6 | 0 | 0 | 0 | 0 | 110.4 | V1272 A1276 | V1272-T1274 PolarHBondContact O-N 3.04Å; T1274-A1276 PolarHBondContact O-N 3.43Å | ||
| 1275 | N | 36.9 | Very low | 47.3 | Very low | 114 Ų | 114 | 84.8 Ų | 84.8 | 61% | 0.61 | 47% | 0.471 | S | S | * | . | trans | -63.2 | 102.6 | 169.3 | -78.3 | -12.8 | 0 | 0 | 0 | 109.2 | Q1273 L1277 | Q1273-N1275 VanDerWaalsContact C-N 3.33Å; Q1273-N1275 PolarHBondContact O-N 3.48Å; N1275-L1277 VanDerWaalsContact C-N 3.28Å; N1275-L1277 PolarHBondContact O-N 3.02Å | ||
| 1276 | A | 36.1 | Very low | 48.1 | Very low | 96 Ų | 96 | 92.1 Ų | 92.1 | 79% | 0.793 | 49% | 0.493 | S | S | * | . | trans | -75.3 | 71.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1274 | T1274-A1276 PolarHBondContact O-N 3.43Š| ||
| 1277 | L | 41.8 | Very low | 49.2 | Very low | 96 Ų | 96 | 86.8 Ų | 86.8 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | trans | -81.4 | 117.9 | 178.4 | -102.9 | 163 | 0 | 0 | 0 | 112 | N1275 L1279 L1314 | N1275-L1277 VanDerWaalsContact C-N 3.28Å; N1275-L1277 PolarHBondContact O-N 3.02Å; L1277-L1279 HydrophobicContact CD2-CD1 4.38Å; L1277-L1279 HydrophobicContact CD2-CG 4.42Å; L1277-L1279 PolarHBondContact O-N 3.01Å; L1277-L1314 HydrophobicContact CD1-CD1 4.46Å; L1277-L1314 HydrophobicContact CD1-CD2 3.76Å | ||
| 1278 | I | 46.9 | Very low | 49.9 | Very low | 99 Ų | 99 | 89 Ų | 89 | 51% | 0.508 | 48% | 0.476 | S | S | . | . | trans | -93.5 | 91.1 | 178.1 | -56.8 | 174.4 | 0 | 0 | 0 | 109.3 | L1280 V1343 | I1278-L1280 HydrophobicContact CG2-CD1 3.74Å; I1278-L1280 HydrophobicContact CG2-CG 4.05Å; I1278-V1343 HydrophobicContact CD1-CG2 3.56Å | ||
| 1279 | L | 53.8 | Low | 50.8 | Low | 82 Ų | 82 | 85 Ų | 85 | 43% | 0.429 | 45% | 0.453 | S | S | . | . | trans | -117 | 86.8 | 176.6 | -77 | 172.1 | 0 | 0 | 0 | 110.4 | L1277 L1291 | L1277-L1279 HydrophobicContact CD2-CD1 4.38Å; L1277-L1279 HydrophobicContact CD2-CG 4.42Å; L1277-L1279 PolarHBondContact O-N 3.01Å; L1279-L1291 HydrophobicContact CB-CD1 4.21Å; L1279-L1291 HydrophobicContact CD2-CD1 4.44Å | ||
| 1280 | L | 54.6 | Low | 51.6 | Low | 80 Ų | 80 | 88.4 Ų | 88.4 | 42% | 0.419 | 47% | 0.474 | S | S | . | . | trans | -83.3 | -17.7 | -169.1 | -80.6 | 157.9 | 0 | 0 | 0 | 115.7 | I1278 V1345 | I1278-L1280 HydrophobicContact CG2-CD1 3.74Å; I1278-L1280 HydrophobicContact CG2-CG 4.05Å; L1280-V1345 HydrophobicContact CD1-CB 3.82Å; L1280-V1345 HydrophobicContact CD1-CG1 3.45Å; L1280-V1345 VanDerWaalsContact CD1-CG1 3.45Å; L1280-V1345 HydrophobicContact CD1-CG2 4.4Å | ||
| 1281 | S | 61.1 | Low | 52.4 | Low | 44 Ų | 44 | 86.9 Ų | 86.9 | 31% | 0.308 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -165.5 | 155.2 | -177 | 59.1 | 0 | 0 | 0 | 0 | 111.1 | S1288 | S1281-S1288 WeakPolarHBondContact CB-O 3.35Š|
| 1282 | C | 60.5 | Low | 53.3 | Low | 4 Ų | 4 | 83.8 Ų | 83.8 | 3% | 0.027 | 46% | 0.458 | C | S | . | . | trans | -60.1 | 137.2 | 166.9 | 177.8 | 0 | 0 | 0 | 0 | 111.5 | D1284 C1287 S1289 L1291 C1305 | C1282-D1284 VanDerWaalsContact C-N 3.29Å; C1282-D1284 PolarHBondContact O-N 3.5Å; C1282-C1287 HydrophobicContact CB-CB 3.81Å; C1282-C1287 VanDerWaalsContact SG-CB 3.55Å; C1282-S1289 PolarHBondContact N-O 3.23Å; C1282-L1291 HydrophobicContact CB-CD2 3.97Å; C1282-L1291 HydrophobicContact CB-CG 4.49Å; C1282-C1305 HydrophobicContact CB-CB 3.73Å; C1282-C1305 WeakPolarHBondContact CB-SG 3.34Å; C1282-C1305 VanDerWaalsContact SG-SG 3.69Å | ||
| 1283 | P | 54.8 | Low | 54.2 | Low | 36 Ų | 36 | 84.4 Ų | 84.4 | 23% | 0.234 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -78.2 | -5.6 | -178.1 | 31.9 | -36.1 | 0 | 0 | 0 | 114.3 | M1285 W1310 R1328 | P1283-M1285 PolarHBondContact O-N 3.41Å; P1283-W1310 HydrophobicContact CG-CE3 4.13Å; P1283-W1310 HydrophobicContact CG-CH2 3.26Å; P1283-W1310 HydrophobicContact CG-CZ2 3.76Å; P1283-W1310 HydrophobicContact CG-CZ3 3.5Å; P1283-W1310 VanDerWaalsContact CG-CZ3 3.5Å; P1283-R1328 PolarHBondContact O-NH1 3.09Å; P1283-R1328 VanDerWaalsContact O-NH1 3.12Å; P1283-R1328 PolarHBondContact O-NH2 3.45Å |
| 1284 | D | 58.9 | Low | 55.4 | Low | 70 Ų | 70 | 81.5 Ų | 81.5 | 37% | 0.374 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -70 | 118.9 | 162.9 | -172.1 | -9 | 0 | 0 | 0 | 108.8 | C1282 R1286 C1287 S1288 | C1282-D1284 VanDerWaalsContact C-N 3.29Å; C1282-D1284 PolarHBondContact O-N 3.5Å; D1284-R1286 PolarHBondContact O-N 3.02Å; D1284-R1286 WeakPolarHBondContact OD1-CB 3.36Å; D1284-R1286 PolarHBondContact OD1-N 2.95Å; D1284-C1287 HydrophobicContact CB-CB 4.09Å; D1284-C1287 PolarHBondContact O-N 3.22Å; D1284-S1288 PolarHBondContact O-N 2.97Å; D1284-S1288 VanDerWaalsContact O-N 3.15Å |
| 1285 | M | 56.9 | Low | 56.5 | Low | 151 Ų | 151 | 80.8 Ų | 80.8 | 74% | 0.744 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -13.5 | 176.4 | -56.7 | -62.3 | -65.2 | 0 | 0 | 112.8 | P1283 R1328 | P1283-M1285 PolarHBondContact O-N 3.41Å; M1285-R1328 PolarHBondContact SD-NH1 3.27Å; M1285-R1328 VanDerWaalsContact SD-NH1 3.45Å |
| 1286 | R | 61.3 | Low | 57.2 | Low | 229 Ų | 229 | 77.5 Ų | 77.5 | 86% | 0.864 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -23 | 175.3 | -49.9 | -177.9 | -164.4 | -171.3 | 5.1 | 114.2 | D1284 | D1284-R1286 PolarHBondContact O-N 3.02Å; D1284-R1286 WeakPolarHBondContact OD1-CB 3.36Å; D1284-R1286 PolarHBondContact OD1-N 2.95Å |
| 1287 | C | 67.8 | Low | 57.6 | Low | 12 Ų | 12 | 79.6 Ų | 79.6 | 8% | 0.081 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -59.8 | 172.8 | -150.2 | 0 | 0 | 0 | 0 | 107.9 | C1282 D1284 S1289 C1305 C1308 | C1282-C1287 HydrophobicContact CB-CB 3.81Å; C1282-C1287 VanDerWaalsContact SG-CB 3.55Å; D1284-C1287 HydrophobicContact CB-CB 4.09Å; D1284-C1287 PolarHBondContact O-N 3.22Å; C1287-S1289 PolarHBondContact O-N 3.01Å; C1287-S1289 PolarHBondContact SG-OG 2.96Å; C1287-C1305 HydrophobicContact CB-CB 4.48Å; C1287-C1305 WeakPolarHBondContact CB-SG 3.4Å; C1287-C1305 WeakPolarHBondContact SG-CB 3.5Å; C1287-C1305 CovalentContact SG-SG 2.08Å; C1287-C1305 PolarHBondContact SG-SG 3.34Å; C1287-C1308 HydrophobicContact CB-CB 4.18Å; C1287-C1308 VanDerWaalsContact SG-CB 3.54Å; C1287-C1308 PolarHBondContact SG-N 3.18Å; C1287-C1308 PolarHBondContact SG-SG 3.09Å |
| 1288 | S | 60.9 | Low | 57.8 | Low | 84 Ų | 84 | 75.7 Ų | 75.7 | 59% | 0.587 | 40% | 0.403 | S | S | * | . | trans | 54.5 | -18.9 | -176.2 | 68.7 | 0 | 0 | 0 | 0 | 117.3 | S1281 D1284 | S1281-S1288 WeakPolarHBondContact CB-O 3.35Å; D1284-S1288 PolarHBondContact O-N 2.97Å; D1284-S1288 VanDerWaalsContact O-N 3.15Å | ||
| 1289 | S | 63.6 | Low | 57.8 | Low | 24 Ų | 24 | 71.1 Ų | 71.1 | 17% | 0.168 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -69.7 | 164.4 | 177.8 | 55.8 | 0 | 0 | 0 | 0 | 113.2 | C1282 C1287 C1305 H1307 | C1282-S1289 PolarHBondContact N-O 3.23Å; C1287-S1289 PolarHBondContact O-N 3.01Å; C1287-S1289 PolarHBondContact SG-OG 2.96Å; S1289-C1305 PolarHBondContact OG-SG 2.62Å; S1289-H1307 PolarHBondContact OG-CD2 3.48Å |
| 1290 | N | 60.7 | Low | 57.7 | Low | 119 Ų | 119 | 70.1 Ų | 70.1 | 64% | 0.636 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 146.6 | -176.4 | -58.5 | -11 | 0 | 0 | 0 | 112.4 | ||
| 1291 | L | 63.1 | Low | 57.9 | Low | 21 Ų | 21 | 70 Ų | 70 | 11% | 0.11 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 126.8 | 166.7 | -64.3 | 169.7 | 0 | 0 | 0 | 108.2 | L1279 C1282 Q1304 C1305 W1310 | L1279-L1291 HydrophobicContact CB-CD1 4.21Å; L1279-L1291 HydrophobicContact CD2-CD1 4.44Å; C1282-L1291 HydrophobicContact CB-CD2 3.97Å; C1282-L1291 HydrophobicContact CB-CG 4.49Å; L1291-Q1304 WeakPolarHBondContact CA-O 3.49Å; L1291-C1305 HydrophobicContact CD2-CB 4.1Å; L1291-W1310 HydrophobicContact CD1-CZ3 4.41Å; L1291-W1310 HydrophobicContact CD2-CE3 4.04Å; L1291-W1310 HydrophobicContact CD2-CZ3 4.09Å |
| 1292 | V | 64.3 | Low | 58 | Low | 73 Ų | 73 | 68.2 Ų | 68.2 | 44% | 0.442 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 129.2 | 173.8 | 170.4 | 0 | 0 | 0 | 0 | 108.8 | S1303 Q1304 T1306 | V1292-S1303 CarbonylContact O-C 3.41Å; V1292-S1303 VanDerWaalsContact O-CA 3.25Å; V1292-S1303 WeakPolarHBondContact O-CA 3.49Å; V1292-Q1304 PolarHBondContact N-O 3.18Å; V1292-Q1304 PolarHBondContact O-N 3.42Å; V1292-T1306 HydrophobicContact CB-CG2 4.47Å; V1292-T1306 HydrophobicContact CG2-CG2 3.52Å |
| 1293 | P | 62.8 | Low | 58.3 | Low | 65 Ų | 65 | 68.3 Ų | 68.3 | 42% | 0.422 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 132.1 | 175 | 30.4 | -35.4 | 0 | 0 | 0 | 110.8 | L1300 | P1293-L1300 HydrophobicContact CB-CD1 3.2Å |
| 1294 | K | 61.4 | Low | 59 | Low | 79 Ų | 79 | 68.3 Ų | 68.3 | 34% | 0.343 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 119 | 166.4 | -65.4 | -168.4 | -168.7 | 164.4 | 0 | 108.7 | S1302 E1311 | K1294-S1302 WeakPolarHBondContact CB-OG 3.44Å; K1294-S1302 PolarHBondContact N-O 3.31Å; K1294-E1311 WeakPolarHBondContact CD-OE1 3.43Å; K1294-E1311 VanDerWaalsContact CE-OE1 3.3Å; K1294-E1311 WeakPolarHBondContact CE-OE1 3.47Å; K1294-E1311 IonicContact NZ-OE1 3.57Å; K1294-E1311 PolarHBondContact NZ-OE1 3.5Å; K1294-E1311 IonicContact NZ-OE2 2.74Å; K1294-E1311 PolarHBondContact NZ-OE2 3.43Å |
| 1295 | H | 58.1 | Low | 59.6 | Low | 118 Ų | 118 | 65 Ų | 65 | 55% | 0.546 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 129.8 | 174.7 | -66.6 | -91.3 | 0 | 0 | 0 | 110.4 | G1298 S1299 | H1295-G1298 PolarHBondContact ND1-O 3.38Å; H1295-S1299 VanDerWaalsContact CA-O 3.24Å; H1295-S1299 WeakPolarHBondContact CA-O 3.49Å |
| 1296 | S | 51.7 | Low | 60.1 | Low | 46 Ų | 46 | 61.2 Ų | 61.2 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 125.5 | 170.2 | 66.5 | 0 | 0 | 0 | 0 | 109.3 | G1298 S1299 K1301 | S1296-G1298 PolarHBondContact O-N 3.26Å; S1296-S1299 PolarHBondContact N-O 2.85Å; S1296-S1299 VanDerWaalsContact N-O 3.08Å; S1296-S1299 PolarHBondContact O-N 2.91Å; S1296-K1301 WeakPolarHBondContact OG-CD 3.49Å; S1296-K1301 WeakPolarHBondContact OG-CE 3.45Å; S1296-K1301 WeakPolarHBondContact OG-CG 3.42Å |
| 1297 | N | 45.2 | Very low | 60.4 | Low | 139 Ų | 139 | 57.6 Ų | 57.6 | 74% | 0.743 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 8.3 | -163.5 | -58 | -5.8 | 0 | 0 | 0 | 114.1 | D1175 | D1175-N1297 WeakPolarHBondContact CB-O 3.1Å; D1175-N1297 WeakPolarHBondContact OD2-CB 3.18Å |
| 1298 | G | 46 | Very low | 60.8 | Low | 14 Ų | 14 | 59.6 Ų | 59.6 | 14% | 0.144 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 108 | -17.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1174 H1295 S1296 | L1174-G1298 CarbonylContact O-C 3.58Å; L1174-G1298 VanDerWaalsContact O-O 3.09Å; H1295-G1298 PolarHBondContact ND1-O 3.38Å; S1296-G1298 PolarHBondContact O-N 3.26Å |
| 1299 | S | 45.6 | Very low | 61.2 | Low | 4 Ų | 4 | 61.1 Ų | 61.1 | 3% | 0.028 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 135 | -166.8 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | D1175 N1176 H1295 S1296 K1301 | D1175-S1299 WeakPolarHBondContact OD2-CB 3.3Å; N1176-S1299 PolarHBondContact O-OG 2.99Å; H1295-S1299 VanDerWaalsContact CA-O 3.24Å; H1295-S1299 WeakPolarHBondContact CA-O 3.49Å; S1296-S1299 PolarHBondContact N-O 2.85Å; S1296-S1299 VanDerWaalsContact N-O 3.08Å; S1296-S1299 PolarHBondContact O-N 2.91Å; S1299-K1301 PolarHBondContact O-N 3.07Å |
| 1300 | L | 52.9 | Low | 61.2 | Low | 61 Ų | 61 | 64.6 Ų | 64.6 | 32% | 0.319 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 63.8 | 168.6 | -170.4 | 69 | 0 | 0 | 0 | 110 | P1293 S1302 L1314 | P1293-L1300 HydrophobicContact CB-CD1 3.2Å; L1300-S1302 VanDerWaalsContact C-N 3.26Å; L1300-S1302 PolarHBondContact O-N 2.75Å; L1300-L1314 HydrophobicContact CD2-CD1 3.89Å; L1300-L1314 HydrophobicContact CG-CD1 3.65Å; L1300-L1314 WeakPolarHBondContact O-CD1 3.45Å |
| 1301 | K | 58 | Low | 61.4 | Low | 76 Ų | 76 | 62.2 Ų | 62.2 | 33% | 0.33 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | -35.2 | 176 | -73.4 | -162.6 | 176 | -78.4 | 0 | 111.7 | S1296 S1299 N1313 L1314 E1315 | S1296-K1301 WeakPolarHBondContact OG-CD 3.49Å; S1296-K1301 WeakPolarHBondContact OG-CE 3.45Å; S1296-K1301 WeakPolarHBondContact OG-CG 3.42Å; S1299-K1301 PolarHBondContact O-N 3.07Å; K1301-N1313 WeakPolarHBondContact O-CA 3.35Å; K1301-L1314 PolarHBondContact O-N 3.21Å; K1301-E1315 HydrophobicContact CB-CG 4.43Å; K1301-E1315 VanDerWaalsContact CD-OE2 3.27Å; K1301-E1315 WeakPolarHBondContact CD-OE2 3.4Å; K1301-E1315 HydrophobicContact CG-CG 4.32Å; K1301-E1315 IonicContact NZ-OE1 2.7Å; K1301-E1315 PolarHBondContact NZ-OE1 2.86Å; K1301-E1315 IonicContact NZ-OE2 2.72Å; K1301-E1315 PolarHBondContact NZ-OE2 3.46Å |
| 1302 | S | 63.9 | Low | 61.4 | Low | 7 Ų | 7 | 62.4 Ų | 62.4 | 5% | 0.049 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 170.1 | 179.4 | 72.8 | 0 | 0 | 0 | 0 | 114.7 | K1294 L1300 E1311 V1312 | K1294-S1302 WeakPolarHBondContact CB-OG 3.44Å; K1294-S1302 PolarHBondContact N-O 3.31Å; L1300-S1302 VanDerWaalsContact C-N 3.26Å; L1300-S1302 PolarHBondContact O-N 2.75Å; S1302-E1311 VanDerWaalsContact CB-OE1 3.31Å; S1302-E1311 WeakPolarHBondContact CB-OE1 3.29Å; S1302-E1311 PolarHBondContact OG-OE1 3.37Å; S1302-V1312 CarbonylContact C-O 3.58Å; S1302-V1312 WeakPolarHBondContact CA-O 3.26Å; S1302-V1312 WeakPolarHBondContact CB-O 3.42Å |
| 1303 | S | 65.5 | Low | 61.1 | Low | 6 Ų | 6 | 63.1 Ų | 63.1 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 143.1 | 169.7 | 63.6 | 0 | 0 | 0 | 0 | 111.4 | V1292 E1311 V1312 | V1292-S1303 CarbonylContact O-C 3.41Å; V1292-S1303 VanDerWaalsContact O-CA 3.25Å; V1292-S1303 WeakPolarHBondContact O-CA 3.49Å; S1303-E1311 CarbonylContact O-C 3.55Å; S1303-E1311 WeakPolarHBondContact O-CA 3.21Å; S1303-V1312 PolarHBondContact N-O 3.02Å; S1303-V1312 PolarHBondContact O-N 3.12Å |
| 1304 | Q | 70.8 | Confident | 60.8 | Low | 36 Ų | 36 | 61.9 Ų | 61.9 | 17% | 0.168 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 136.6 | -166.9 | -163.3 | -179.6 | 17.7 | 0 | 0 | 113.4 | L1291 V1292 T1306 Q1309 W1310 E1311 | L1291-Q1304 WeakPolarHBondContact CA-O 3.49Å; V1292-Q1304 PolarHBondContact N-O 3.18Å; V1292-Q1304 PolarHBondContact O-N 3.42Å; Q1304-T1306 PolarHBondContact O-N 2.89Å; Q1304-Q1309 WeakPolarHBondContact CG-O 3.46Å; Q1304-Q1309 PolarHBondContact NE2-O 3.31Å; Q1304-W1310 CarbonylContact C-O 3.54Å; Q1304-W1310 VanDerWaalsContact CA-O 3.28Å; Q1304-W1310 WeakPolarHBondContact CA-O 3.29Å; Q1304-E1311 HydrophobicContact CB-CB 4.48Å; Q1304-E1311 HydrophobicContact CB-CG 4.49Å; Q1304-E1311 HydrophobicContact CG-CB 4.13Å |
| 1305 | C | 71 | Confident | 60.4 | Low | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 122.6 | 171.2 | -159 | 0 | 0 | 0 | 0 | 109.1 | C1282 C1287 S1289 L1291 H1307 Q1309 W1310 | C1282-C1305 HydrophobicContact CB-CB 3.73Å; C1282-C1305 WeakPolarHBondContact CB-SG 3.34Å; C1282-C1305 VanDerWaalsContact SG-SG 3.69Å; C1287-C1305 HydrophobicContact CB-CB 4.48Å; C1287-C1305 WeakPolarHBondContact CB-SG 3.4Å; C1287-C1305 WeakPolarHBondContact SG-CB 3.5Å; C1287-C1305 CovalentContact SG-SG 2.08Å; C1287-C1305 PolarHBondContact SG-SG 3.34Å; S1289-C1305 PolarHBondContact OG-SG 2.62Å; L1291-C1305 HydrophobicContact CD2-CB 4.1Å; C1305-H1307 VanDerWaalsContact C-N 3.29Å; C1305-H1307 PolarHBondContact O-N 2.88Å; C1305-Q1309 VanDerWaalsContact O-CA 3.24Å; C1305-Q1309 WeakPolarHBondContact O-CA 3.36Å; C1305-Q1309 PolarHBondContact O-N 2.95Å; C1305-W1310 PolarHBondContact N-O 3.43Å |
| 1306 | T | 67.4 | Low | 59.6 | Low | 73 Ų | 73 | 59.2 Ų | 59.2 | 45% | 0.448 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -40.6 | 179.5 | 50.4 | 0 | 0 | 0 | 0 | 112.6 | V1292 Q1304 Q1309 | V1292-T1306 HydrophobicContact CB-CG2 4.47Å; V1292-T1306 HydrophobicContact CG2-CG2 3.52Å; Q1304-T1306 PolarHBondContact O-N 2.89Å; T1306-Q1309 PolarHBondContact O-NE2 3.13Å; T1306-Q1309 VanDerWaalsContact O-NE2 3.13Å |
| 1307 | H | 68.7 | Low | 59.3 | Low | 153 Ų | 153 | 62.5 Ų | 62.5 | 71% | 0.708 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -43.7 | -176.2 | -75.4 | -95.2 | 0 | 0 | 0 | 114.7 | S1289 C1305 | S1289-H1307 PolarHBondContact OG-CD2 3.48Å; C1305-H1307 VanDerWaalsContact C-N 3.29Å; C1305-H1307 PolarHBondContact O-N 2.88Å |
| 1308 | C | 74.8 | Confident | 59 | Low | 53 Ų | 53 | 59.3 Ų | 59.3 | 36% | 0.358 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 4.4 | -176.7 | 81.2 | 0 | 0 | 0 | 0 | 114.8 | C1287 W1310 | C1287-C1308 HydrophobicContact CB-CB 4.18Å; C1287-C1308 VanDerWaalsContact SG-CB 3.54Å; C1287-C1308 PolarHBondContact SG-N 3.18Å; C1287-C1308 PolarHBondContact SG-SG 3.09Å; C1308-W1310 PolarHBondContact O-N 3.05Å; C1308-W1310 WeakPolarHBondContact SG-CB 3.43Å |
| 1309 | Q | 68.9 | Low | 58.4 | Low | 117 Ų | 117 | 61.6 Ų | 61.6 | 55% | 0.547 | 31% | 0.312 | S | S | . | . | trans | 58.2 | 6 | -179.8 | -61.5 | -69.7 | -59.7 | 0 | 0 | 115.4 | Q1304 C1305 T1306 E1311 | Q1304-Q1309 WeakPolarHBondContact CG-O 3.46Å; Q1304-Q1309 PolarHBondContact NE2-O 3.31Å; C1305-Q1309 VanDerWaalsContact O-CA 3.24Å; C1305-Q1309 WeakPolarHBondContact O-CA 3.36Å; C1305-Q1309 PolarHBondContact O-N 2.95Å; T1306-Q1309 PolarHBondContact O-NE2 3.13Å; T1306-Q1309 VanDerWaalsContact O-NE2 3.13Å; Q1309-E1311 PolarHBondContact O-N 2.87Å | ||
| 1310 | W | 64 | Low | 57.7 | Low | 97 Ų | 97 | 67.6 Ų | 67.6 | 37% | 0.367 | 35% | 0.348 | S | S | . | . | trans | -64 | 128.7 | 179.1 | 178.4 | 79.4 | 0 | 0 | 0 | 111.5 | P1283 L1291 Q1304 C1305 C1308 V1312 | P1283-W1310 HydrophobicContact CG-CE3 4.13Å; P1283-W1310 HydrophobicContact CG-CH2 3.26Å; P1283-W1310 HydrophobicContact CG-CZ2 3.76Å; P1283-W1310 HydrophobicContact CG-CZ3 3.5Å; P1283-W1310 VanDerWaalsContact CG-CZ3 3.5Å; L1291-W1310 HydrophobicContact CD1-CZ3 4.41Å; L1291-W1310 HydrophobicContact CD2-CE3 4.04Å; L1291-W1310 HydrophobicContact CD2-CZ3 4.09Å; Q1304-W1310 CarbonylContact C-O 3.54Å; Q1304-W1310 VanDerWaalsContact CA-O 3.28Å; Q1304-W1310 WeakPolarHBondContact CA-O 3.29Å; C1305-W1310 PolarHBondContact N-O 3.43Å; C1308-W1310 PolarHBondContact O-N 3.05Å; C1308-W1310 WeakPolarHBondContact SG-CB 3.43Å; W1310-V1312 HydrophobicContact CE3-CG2 4.14Å; W1310-V1312 HydrophobicContact CH2-CG2 3.08Å; W1310-V1312 HydrophobicContact CZ2-CG2 3.82Å; W1310-V1312 HydrophobicContact CZ3-CG2 3.26Å | ||
| 1311 | E | 65.3 | Low | 56.7 | Low | 69 Ų | 69 | 71.4 Ų | 71.4 | 32% | 0.322 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 137.7 | -170 | -173.3 | 156.3 | -165.8 | 0 | 0 | 112.1 | K1294 S1302 S1303 Q1304 Q1309 | K1294-E1311 WeakPolarHBondContact CD-OE1 3.43Å; K1294-E1311 VanDerWaalsContact CE-OE1 3.3Å; K1294-E1311 WeakPolarHBondContact CE-OE1 3.47Å; K1294-E1311 IonicContact NZ-OE1 3.57Å; K1294-E1311 PolarHBondContact NZ-OE1 3.5Å; K1294-E1311 IonicContact NZ-OE2 2.74Å; K1294-E1311 PolarHBondContact NZ-OE2 3.43Å; S1302-E1311 VanDerWaalsContact CB-OE1 3.31Å; S1302-E1311 WeakPolarHBondContact CB-OE1 3.29Å; S1302-E1311 PolarHBondContact OG-OE1 3.37Å; S1303-E1311 CarbonylContact O-C 3.55Å; S1303-E1311 WeakPolarHBondContact O-CA 3.21Å; Q1304-E1311 HydrophobicContact CB-CB 4.48Å; Q1304-E1311 HydrophobicContact CB-CG 4.49Å; Q1304-E1311 HydrophobicContact CG-CB 4.13Å; Q1309-E1311 PolarHBondContact O-N 2.87Å |
| 1312 | V | 62.2 | Low | 55.6 | Low | 25 Ų | 25 | 70.1 Ų | 70.1 | 15% | 0.152 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 111.2 | 169.9 | -178.2 | 0 | 0 | 0 | 0 | 108 | S1302 S1303 W1310 L1314 | S1302-V1312 CarbonylContact C-O 3.58Å; S1302-V1312 WeakPolarHBondContact CA-O 3.26Å; S1302-V1312 WeakPolarHBondContact CB-O 3.42Å; S1303-V1312 PolarHBondContact N-O 3.02Å; S1303-V1312 PolarHBondContact O-N 3.12Å; W1310-V1312 HydrophobicContact CE3-CG2 4.14Å; W1310-V1312 HydrophobicContact CH2-CG2 3.08Å; W1310-V1312 HydrophobicContact CZ2-CG2 3.82Å; W1310-V1312 HydrophobicContact CZ3-CG2 3.26Å; V1312-L1314 HydrophobicContact CG1-CD2 4.24Å; V1312-L1314 HydrophobicContact CG1-CG 4.33Å |
| 1313 | N | 59.7 | Low | 54.3 | Low | 88 Ų | 88 | 76.4 Ų | 76.4 | 47% | 0.471 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 131.6 | 160.1 | -75 | 10.5 | 0 | 0 | 0 | 108.7 | K1301 | K1301-N1313 WeakPolarHBondContact O-CA 3.35Å |
| 1314 | L | 56.1 | Low | 53 | Low | 38 Ų | 38 | 83 Ų | 83 | 20% | 0.199 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -93.7 | -17.5 | -177.9 | -72.3 | 157.3 | 0 | 0 | 0 | 112.4 | L1277 L1300 K1301 V1312 | L1277-L1314 HydrophobicContact CD1-CD1 4.46Å; L1277-L1314 HydrophobicContact CD1-CD2 3.76Å; L1300-L1314 HydrophobicContact CD2-CD1 3.89Å; L1300-L1314 HydrophobicContact CG-CD1 3.65Å; L1300-L1314 WeakPolarHBondContact O-CD1 3.45Å; K1301-L1314 PolarHBondContact O-N 3.21Å; V1312-L1314 HydrophobicContact CG1-CD2 4.24Å; V1312-L1314 HydrophobicContact CG1-CG 4.33Å |
| 1315 | E | 52.3 | Low | 51.5 | Low | 45 Ų | 45 | 89.9 Ų | 89.9 | 21% | 0.21 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -81.5 | -21.6 | -177.3 | -50.4 | -169.4 | 116.8 | 0 | 0 | 114.3 | S1177 K1301 H1317 | S1177-E1315 VanDerWaalsContact CB-OE1 3.22Å; S1177-E1315 WeakPolarHBondContact CB-OE1 3.37Å; S1177-E1315 PolarHBondContact OG-OE1 3.13Å; K1301-E1315 HydrophobicContact CB-CG 4.43Å; K1301-E1315 VanDerWaalsContact CD-OE2 3.27Å; K1301-E1315 WeakPolarHBondContact CD-OE2 3.4Å; K1301-E1315 HydrophobicContact CG-CG 4.32Å; K1301-E1315 IonicContact NZ-OE1 2.7Å; K1301-E1315 PolarHBondContact NZ-OE1 2.86Å; K1301-E1315 IonicContact NZ-OE2 2.72Å; K1301-E1315 PolarHBondContact NZ-OE2 3.46Å; E1315-H1317 PolarHBondContact O-N 3.2Å |
| 1316 | N | 41.7 | Very low | 49.9 | Very low | 97 Ų | 97 | 95.6 Ų | 95.6 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | trans | -91.2 | 78.5 | -171.1 | -81.5 | -18.7 | 0 | 0 | 0 | 112.3 | ||||
| 1317 | H | 44.5 | Very low | 48.8 | Very low | 115 Ų | 115 | 98.1 Ų | 98.1 | 53% | 0.532 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -103.1 | -19.1 | 175.6 | -97.8 | -70.5 | 0 | 0 | 0 | 115.3 | E1179 E1315 | E1179-H1317 PolarHBondContact OE2-N 2.93Å; E1315-H1317 PolarHBondContact O-N 3.2Å |
| 1318 | Q | 39.4 | Very low | 48.1 | Very low | 71 Ų | 71 | 98.8 Ų | 98.8 | 33% | 0.332 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -109.3 | -3.9 | -179.8 | -68.5 | 167.3 | 37.3 | 0 | 0 | 117.4 | E1179 Q1181 T1320 | E1179-Q1318 VanDerWaalsContact CB-NE2 3.33Å; E1179-Q1318 VanDerWaalsContact CD-NE2 3.31Å; E1179-Q1318 VanDerWaalsContact CG-NE2 3.31Å; E1179-Q1318 WeakPolarHBondContact OE1-CB 3.35Å; E1179-Q1318 WeakPolarHBondContact OE2-CB 3.4Å; E1179-Q1318 WeakPolarHBondContact OE2-CG 3.41Å; E1179-Q1318 PolarHBondContact OE2-N 3.14Å; E1179-Q1318 PolarHBondContact OE2-NE2 3.13Å; Q1181-Q1318 VanDerWaalsContact NE2-CD 3.33Å; Q1318-T1320 PolarHBondContact O-N 2.95Å |
| 1319 | S | 33.9 | Very low | 47.3 | Very low | 63 Ų | 63 | 102 Ų | 102 | 44% | 0.441 | 54% | 0.535 | S | S | . | . | trans | -83.8 | 92.6 | -177.9 | 45.7 | 0 | 0 | 0 | 0 | 114.2 | T1321 | S1319-T1321 VanDerWaalsContact C-N 3.32Å; S1319-T1321 PolarHBondContact O-N 2.99Å; S1319-T1321 VanDerWaalsContact O-N 3.1Å | ||
| 1320 | T | 30.2 | Very low | 47.4 | Very low | 130 Ų | 130 | 99.3 Ų | 99.3 | 80% | 0.798 | 53% | 0.525 | S | S | * | . | trans | -84.3 | 40.1 | -171.8 | 51 | 0 | 0 | 0 | 0 | 116 | Q1318 | Q1318-T1320 PolarHBondContact O-N 2.95Š| ||
| 1321 | T | 33.3 | Very low | 48.3 | Very low | 140 Ų | 140 | 99.7 Ų | 99.7 | 86% | 0.859 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -136.5 | 37.5 | -177.6 | 46.9 | 0 | 0 | 0 | 0 | 114.8 | S1319 | S1319-T1321 VanDerWaalsContact C-N 3.32Å; S1319-T1321 PolarHBondContact O-N 2.99Å; S1319-T1321 VanDerWaalsContact O-N 3.1Å |
| 1322 | G | 33.8 | Very low | 49.4 | Very low | 49 Ų | 49 | 96.4 Ų | 96.4 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -149 | 159.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q1324 | G1322-Q1324 VanDerWaalsContact C-N 3.34Å; G1322-Q1324 PolarHBondContact O-N 2.92Å |
| 1323 | P | 36.3 | Very low | 50.7 | Low | 139 Ų | 139 | 96.2 Ų | 96.2 | 90% | 0.903 | 52% | 0.516 | S | S | * | . | trans | -75.8 | 80.3 | -176.8 | 31.6 | -35.8 | 0 | 0 | 0 | 112.1 | K1325 | P1323-K1325 PolarHBondContact O-N 2.97Š| ||
| 1324 | Q | 39 | Very low | 52 | Low | 144 Ų | 144 | 94.9 Ų | 94.9 | 67% | 0.673 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 120.9 | 177.2 | -65.3 | -177.7 | -5.6 | 0 | 0 | 111.5 | G1322 | G1322-Q1324 VanDerWaalsContact C-N 3.34Å; G1322-Q1324 PolarHBondContact O-N 2.92Å |
| 1325 | K | 38.6 | Very low | 53.7 | Low | 182 Ų | 182 | 95 Ų | 95 | 79% | 0.791 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 134.7 | 161.5 | -74.4 | -179.5 | 177.2 | 173.3 | 0 | 108.5 | P1323 Q1327 | P1323-K1325 PolarHBondContact O-N 2.97Å; K1325-Q1327 PolarHBondContact O-N 2.92Å |
| 1326 | P | 37.9 | Very low | 55.4 | Low | 120 Ų | 120 | 101.4 Ų | 101.4 | 78% | 0.779 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 134.4 | -169.3 | 25.7 | -34.7 | 0 | 0 | 0 | 112.9 | R1328 | P1326-R1328 PolarHBondContact O-N 2.72Š|
| 1327 | Q | 45.2 | Very low | 57.4 | Low | 126 Ų | 126 | 102 Ų | 102 | 59% | 0.589 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 125.7 | 163.4 | -78.5 | 177 | -13.2 | 0 | 0 | 109.2 | K1325 L1329 | K1325-Q1327 PolarHBondContact O-N 2.92Å; Q1327-L1329 PolarHBondContact O-N 3.36Å |
| 1328 | R | 52.8 | Low | 59.2 | Low | 167 Ų | 167 | 98.8 Ų | 98.8 | 63% | 0.63 | 53% | 0.531 | S | S | * | . | trans | -75.2 | 91.4 | 175.4 | -71.6 | -171.8 | 180 | 173.2 | 5.5 | 110 | P1283 M1285 P1326 L1330 | P1283-R1328 PolarHBondContact O-NH1 3.09Å; P1283-R1328 VanDerWaalsContact O-NH1 3.12Å; P1283-R1328 PolarHBondContact O-NH2 3.45Å; M1285-R1328 PolarHBondContact SD-NH1 3.27Å; M1285-R1328 VanDerWaalsContact SD-NH1 3.45Å; P1326-R1328 PolarHBondContact O-N 2.72Å; R1328-L1330 PolarHBondContact O-N 3.35Å | ||
| 1329 | L | 59.4 | Low | 61 | Low | 119 Ų | 119 | 96.4 Ų | 96.4 | 62% | 0.623 | 52% | 0.522 | S | S | * | . | trans | -50.8 | 132.7 | 168.8 | -68 | 171.5 | 0 | 0 | 0 | 110.4 | Q1327 I1331 | Q1327-L1329 PolarHBondContact O-N 3.36Å; L1329-I1331 PolarHBondContact O-N 3.07Å; L1329-I1331 VanDerWaalsContact O-N 3.09Å | ||
| 1330 | L | 70.5 | Confident | 62.8 | Low | 62 Ų | 62 | 102.9 Ų | 102.9 | 33% | 0.325 | 54% | 0.542 | S | S | . | . | trans | -67.4 | 111.3 | 179.7 | -167.3 | 93.4 | 0 | 0 | 0 | 110.3 | R1328 C1339 V1343 V1345 | R1328-L1330 PolarHBondContact O-N 3.35Å; L1330-C1339 HydrophobicContact CD2-CB 4.41Å; L1330-C1339 PolarHBondContact O-N 2.98Å; L1330-C1339 PolarHBondContact O-SG 3.4Å; L1330-V1343 HydrophobicContact CD2-CB 3.88Å; L1330-V1343 HydrophobicContact CD2-CG1 3.7Å; L1330-V1343 HydrophobicContact CD2-CG2 4.05Å; L1330-V1345 HydrophobicContact CD1-CG2 4.23Å; L1330-V1345 HydrophobicContact CD2-CG2 3.88Å | ||
| 1331 | I | 82.9 | Confident | 64.9 | Low | 105 Ų | 105 | 99.3 Ų | 99.3 | 54% | 0.538 | 53% | 0.531 | S | S | . | . | B | Isolated β-bridge | trans | -85.3 | 129.8 | 177.1 | -61.6 | 177.4 | 0 | 0 | 0 | 109.5 | L1329 T1333 R1336 | L1329-I1331 PolarHBondContact O-N 3.07Å; L1329-I1331 VanDerWaalsContact O-N 3.09Å; I1331-T1333 PolarHBondContact O-N 3.44Å; I1331-R1336 WeakPolarHBondContact CG2-O 3.39Å |
| 1332 | C | 88.9 | Confident | 66.9 | Low | 0 Ų | 0 | 99.8 Ų | 99.8 | 0% | 0 | 53% | 0.528 | C | S | . | . | trans | -67.8 | 116.1 | 174.1 | 178.7 | 0 | 0 | 0 | 0 | 110 | V1334 C1335 R1336 N1337 H1354 | C1332-V1334 PolarHBondContact O-N 3.41Å; C1332-V1334 VanDerWaalsContact O-N 3.16Å; C1332-C1335 VanDerWaalsContact CB-SG 3.58Å; C1332-C1335 PolarHBondContact O-N 2.98Å; C1332-R1336 WeakPolarHBondContact O-CA 3.2Å; C1332-R1336 PolarHBondContact O-N 3.2Å; C1332-N1337 WeakPolarHBondContact CB-O 3.48Å; C1332-N1337 PolarHBondContact N-O 3.42Å; C1332-H1354 WeakPolarHBondContact CB-ND1 3.37Å | ||
| 1333 | T | 88.7 | Confident | 69.2 | Low | 21 Ų | 21 | 99 Ų | 99 | 13% | 0.129 | 51% | 0.513 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -31.1 | -179.5 | 48 | 0 | 0 | 0 | 0 | 114.1 | I1331 H1351 G1352 P1375 F1376 | I1331-T1333 PolarHBondContact O-N 3.44Å; T1333-H1351 HydrophobicContact CG2-CB 4.03Å; T1333-G1352 WeakPolarHBondContact CB-O 3.31Å; T1333-G1352 WeakPolarHBondContact CG2-O 3.23Å; T1333-G1352 PolarHBondContact N-O 2.87Å; T1333-G1352 PolarHBondContact OG1-O 3.3Å; T1333-P1375 WeakPolarHBondContact OG1-CG 3.5Å; T1333-F1376 HydrophobicContact CG2-CB 4.14Å; T1333-F1376 HydrophobicContact CG2-CD2 3.89Å; T1333-F1376 HydrophobicContact CG2-CG 4.46Å |
| 1334 | V | 87.6 | Confident | 71.5 | Confident | 60 Ų | 60 | 96.1 Ų | 96.1 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -55.4 | 178.1 | -175.1 | 0 | 0 | 0 | 0 | 112.3 | C1332 H1357 W1361 P1375 | C1332-V1334 PolarHBondContact O-N 3.41Å; C1332-V1334 VanDerWaalsContact O-N 3.16Å; V1334-H1357 HydrophobicContact CB-CB 3.92Å; V1334-H1357 HydrophobicContact CG1-CB 4.14Å; V1334-H1357 HydrophobicContact CG2-CB 4.17Å; V1334-W1361 HydrophobicContact CG2-CB 4.39Å; V1334-P1375 HydrophobicContact CG2-CB 3.91Å; V1334-P1375 HydrophobicContact CG2-CG 4.11Å |
| 1335 | C | 91.4 | Very high | 73.6 | Confident | 41 Ų | 41 | 90.9 Ų | 90.9 | 28% | 0.277 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -0.7 | -171.6 | 80.5 | 0 | 0 | 0 | 0 | 115 | C1332 N1337 H1357 | C1332-C1335 VanDerWaalsContact CB-SG 3.58Å; C1332-C1335 PolarHBondContact O-N 2.98Å; C1335-N1337 PolarHBondContact O-N 3.39Å; C1335-H1357 PolarHBondContact SG-CE1 3.48Å; C1335-H1357 PolarHBondContact SG-ND1 3.37Å; C1335-H1357 VanDerWaalsContact SG-ND1 3.37Å |
| 1336 | R | 86.9 | Confident | 75.7 | Confident | 179 Ų | 179 | 83 Ų | 83 | 68% | 0.675 | 43% | 0.434 | S | S | * | . | trans | 56.7 | 7.6 | 178.7 | -56.9 | -173.4 | -179.4 | -168 | 0 | 117.4 | I1331 C1332 | I1331-R1336 WeakPolarHBondContact CG2-O 3.39Å; C1332-R1336 WeakPolarHBondContact O-CA 3.2Å; C1332-R1336 PolarHBondContact O-N 3.2Å | ||
| 1337 | N | 85.1 | Confident | 77.5 | Confident | 108 Ų | 108 | 82.6 Ų | 82.6 | 58% | 0.578 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -86.7 | 155 | 170.9 | -64.4 | -21.9 | 0 | 0 | 0 | 111.4 | C1332 C1335 | C1332-N1337 WeakPolarHBondContact CB-O 3.48Å; C1332-N1337 PolarHBondContact N-O 3.42Å; C1335-N1337 PolarHBondContact O-N 3.39Å |
| 1338 | S | 80.8 | Confident | 79 | Confident | 49 Ų | 49 | 83.3 Ų | 83.3 | 34% | 0.343 | 44% | 0.439 | S | S | . | . | B | Isolated β-bridge | trans | -66.1 | 143.4 | 170.9 | 49.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1339 | C | 77.5 | Confident | 80.5 | Confident | 21 Ų | 21 | 76.4 Ų | 76.4 | 14% | 0.142 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -91 | 128.5 | -178.6 | -52.8 | 0 | 0 | 0 | 0 | 110.9 | L1330 V1343 | L1330-C1339 HydrophobicContact CD2-CB 4.41Å; L1330-C1339 PolarHBondContact O-N 2.98Å; L1330-C1339 PolarHBondContact O-SG 3.4Å; C1339-V1343 HydrophobicContact CB-CG1 3.33Å |
| 1340 | K | 72.4 | Confident | 81.4 | Confident | 199 Ų | 199 | 73.7 Ų | 73.7 | 87% | 0.865 | 41% | 0.407 | S | S | * | . | trans | -118.5 | 26.2 | -178.1 | -63.1 | -169.7 | 176 | -171.5 | 0 | 113.8 | ||||
| 1341 | G | 73.9 | Confident | 82.1 | Confident | 55 Ų | 55 | 73 Ų | 73 | 57% | 0.567 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -170.3 | -150.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1343 | G1341-V1343 PolarHBondContact O-N 2.99Š|
| 1342 | L | 75.3 | Confident | 82.2 | Confident | 150 Ų | 150 | 68.3 Ų | 68.3 | 79% | 0.785 | 38% | 0.379 | S | S | * | . | trans | -57.3 | 133.9 | 178.8 | -64.2 | 175.4 | 0 | 0 | 0 | 112 | V1355 | L1342-V1355 HydrophobicContact CB-CG2 3.59Å; L1342-V1355 PolarHBondContact O-N 3.39Å | ||
| 1343 | V | 82.1 | Confident | 82.2 | Confident | 31 Ų | 31 | 68.3 Ų | 68.3 | 19% | 0.188 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 147.9 | 179.8 | -69.5 | 0 | 0 | 0 | 0 | 110.9 | I1278 L1330 C1339 G1341 V1345 G1353 | I1278-V1343 HydrophobicContact CD1-CG2 3.56Å; L1330-V1343 HydrophobicContact CD2-CB 3.88Å; L1330-V1343 HydrophobicContact CD2-CG1 3.7Å; L1330-V1343 HydrophobicContact CD2-CG2 4.05Å; C1339-V1343 HydrophobicContact CB-CG1 3.33Å; G1341-V1343 PolarHBondContact O-N 2.99Å; V1343-V1345 HydrophobicContact CG2-CG2 4.27Å; V1343-G1353 CarbonylContact C-O 3.56Å; V1343-G1353 VanDerWaalsContact CA-O 3.26Å; V1343-G1353 WeakPolarHBondContact CA-O 3.39Å |
| 1344 | L | 84.3 | Confident | 82.2 | Confident | 80 Ų | 80 | 69.6 Ų | 69.6 | 42% | 0.419 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 131.7 | 162.3 | -70.9 | 174.6 | 0 | 0 | 0 | 108.1 | G1352 G1353 V1355 V1358 | L1344-G1352 CarbonylContact O-C 3.56Å; L1344-G1352 WeakPolarHBondContact O-CA 3.31Å; L1344-G1353 PolarHBondContact N-O 2.94Å; L1344-G1353 PolarHBondContact O-N 2.85Å; L1344-V1355 HydrophobicContact CD1-CG1 4.02Å; L1344-V1355 HydrophobicContact CG-CB 4.44Å; L1344-V1355 HydrophobicContact CG-CG1 4.2Å; L1344-V1355 HydrophobicContact CG-CG2 4.24Å; L1344-V1358 HydrophobicContact CB-CB 4.21Å; L1344-V1358 HydrophobicContact CB-CG1 3.94Å; L1344-V1358 HydrophobicContact CB-CG2 4.47Å; L1344-V1358 HydrophobicContact CD1-CB 4.21Å; L1344-V1358 HydrophobicContact CD1-CG1 4Å |
| 1345 | V | 84.3 | Confident | 82.2 | Confident | 34 Ų | 34 | 69.5 Ų | 69.5 | 21% | 0.206 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 133.1 | 175.5 | -169.7 | 0 | 0 | 0 | 0 | 108.5 | L1280 L1330 V1343 S1350 | L1280-V1345 HydrophobicContact CD1-CB 3.82Å; L1280-V1345 HydrophobicContact CD1-CG1 3.45Å; L1280-V1345 VanDerWaalsContact CD1-CG1 3.45Å; L1280-V1345 HydrophobicContact CD1-CG2 4.4Å; L1330-V1345 HydrophobicContact CD1-CG2 4.23Å; L1330-V1345 HydrophobicContact CD2-CG2 3.88Å; V1343-V1345 HydrophobicContact CG2-CG2 4.27Å; V1345-S1350 WeakPolarHBondContact CG1-O 3.24Å |
| 1346 | C | 82.5 | Confident | 82 | Confident | 15 Ų | 15 | 74 Ų | 74 | 10% | 0.101 | 40% | 0.4 | C | S | . | . | trans | -78.3 | 124.9 | 177.4 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | L1348 C1349 S1350 H1351 C1383 | C1346-L1348 PolarHBondContact O-N 2.74Å; C1346-C1349 PolarHBondContact O-N 3Å; C1346-S1350 WeakPolarHBondContact O-CA 3.37Å; C1346-S1350 PolarHBondContact O-N 3.39Å; C1346-H1351 PolarHBondContact N-O 2.88Å; C1346-C1383 HydrophobicContact CB-CB 4Å; C1346-C1383 VanDerWaalsContact SG-SG 3.66Å | ||
| 1347 | P | 75.6 | Confident | 82.2 | Confident | 113 Ų | 113 | 68.4 Ų | 68.4 | 73% | 0.734 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -20.7 | -179.1 | 27.9 | -35.4 | 0 | 0 | 0 | 113.3 | ||
| 1348 | L | 76.3 | Confident | 82.3 | Confident | 141 Ų | 141 | 63.6 Ų | 63.6 | 74% | 0.738 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -30.7 | -179 | -62.1 | 177.4 | 0 | 0 | 0 | 113.6 | C1346 | C1346-L1348 PolarHBondContact O-N 2.74Š|
| 1349 | C | 84.7 | Confident | 82.6 | Confident | 21 Ų | 21 | 63.6 Ų | 63.6 | 14% | 0.142 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.5 | 7.8 | -173.8 | 71.4 | 0 | 0 | 0 | 0 | 115 | C1346 H1351 C1381 | C1346-C1349 PolarHBondContact O-N 3Å; C1349-H1351 PolarHBondContact O-N 2.99Å; C1349-H1351 PolarHBondContact O-ND1 3.13Å; C1349-C1381 HydrophobicContact CB-CB 3.64Å |
| 1350 | S | 77.2 | Confident | 83 | Confident | 63 Ų | 63 | 66 Ų | 66 | 44% | 0.441 | 37% | 0.37 | S | S | . | . | trans | 52 | -0.1 | -177.9 | 70.1 | 0 | 0 | 0 | 0 | 117.7 | V1345 C1346 | V1345-S1350 WeakPolarHBondContact CG1-O 3.24Å; C1346-S1350 WeakPolarHBondContact O-CA 3.37Å; C1346-S1350 PolarHBondContact O-N 3.39Å | ||
| 1351 | H | 85.8 | Confident | 83.8 | Confident | 48 Ų | 48 | 61 Ų | 61 | 22% | 0.222 | 35% | 0.346 | C | S | . | . | trans | -74.6 | 143.7 | 173.6 | -64.7 | 130.7 | 0 | 0 | 0 | 112.7 | T1333 C1346 C1349 C1374 F1376 C1379 | T1333-H1351 HydrophobicContact CG2-CB 4.03Å; C1346-H1351 PolarHBondContact N-O 2.88Å; C1349-H1351 PolarHBondContact O-N 2.99Å; C1349-H1351 PolarHBondContact O-ND1 3.13Å; H1351-C1374 WeakPolarHBondContact CB-SG 3.39Å; H1351-F1376 HydrophobicContact CB-CB 4.3Å; H1351-F1376 AromaticContact CD2-CD2 3.91Å; H1351-F1376 AromaticContact CD2-CG 3.65Å; H1351-F1376 AromaticContact CE1-CD1 3.44Å; H1351-F1376 VanDerWaalsContact CE1-CD1 3.44Å; H1351-F1376 WeakPolarHBondContact CE1-CD1 3.26Å; H1351-F1376 AromaticContact CE1-CG 3.73Å; H1351-F1376 AromaticContact NE2-CD1 3.33Å; H1351-F1376 VanDerWaalsContact NE2-CD1 3.33Å; H1351-F1376 WeakPolarHBondContact NE2-CD1 3.47Å; H1351-F1376 AromaticContact NE2-CD2 3.93Å; H1351-F1376 AromaticContact NE2-CE1 3.71Å; H1351-F1376 AromaticContact NE2-CG 3.45Å; H1351-F1376 WeakPolarHBondContact NE2-CG 3.46Å; H1351-C1379 PolarHBondContact ND1-SG 3.41Å | ||
| 1352 | G | 85.5 | Confident | 84.3 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.6 | -157.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | T1333 L1344 | T1333-G1352 WeakPolarHBondContact CB-O 3.31Å; T1333-G1352 WeakPolarHBondContact CG2-O 3.23Å; T1333-G1352 PolarHBondContact N-O 2.87Å; T1333-G1352 PolarHBondContact OG1-O 3.3Å; L1344-G1352 CarbonylContact O-C 3.56Å; L1344-G1352 WeakPolarHBondContact O-CA 3.31Å |
| 1353 | G | 88 | Confident | 84.7 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.2 | -167.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1343 L1344 V1355 | V1343-G1353 CarbonylContact C-O 3.56Å; V1343-G1353 VanDerWaalsContact CA-O 3.26Å; V1343-G1353 WeakPolarHBondContact CA-O 3.39Å; L1344-G1353 PolarHBondContact N-O 2.94Å; L1344-G1353 PolarHBondContact O-N 2.85Å; G1353-V1355 PolarHBondContact O-N 3.35Å |
| 1354 | H | 89.1 | Confident | 84.4 | Confident | 49 Ų | 49 | 58.2 Ų | 58.2 | 23% | 0.227 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -44.8 | 127.9 | 175.6 | -61.7 | 105.5 | 0 | 0 | 0 | 112.8 | C1332 H1356 H1357 V1358 | C1332-H1354 WeakPolarHBondContact CB-ND1 3.37Å; H1354-H1356 PolarHBondContact O-N 3.49Å; H1354-H1356 VanDerWaalsContact O-N 3.14Å; H1354-H1357 HydrophobicContact CB-CB 4.43Å; H1354-H1357 AromaticContact ND1-CE1 3.99Å; H1354-H1357 AromaticContact ND1-ND1 3.71Å; H1354-H1357 PolarHBondContact O-N 3.02Å; H1354-V1358 PolarHBondContact O-N 3.39Å; H1354-V1358 VanDerWaalsContact O-N 3.08Å |
| 1355 | V | 87.3 | Confident | 83.5 | Confident | 57 Ų | 57 | 55.6 Ų | 55.6 | 35% | 0.345 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -48.3 | -46.7 | -177.2 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | L1342 L1344 G1353 H1357 V1358 S1359 | L1342-V1355 HydrophobicContact CB-CG2 3.59Å; L1342-V1355 PolarHBondContact O-N 3.39Å; L1344-V1355 HydrophobicContact CD1-CG1 4.02Å; L1344-V1355 HydrophobicContact CG-CB 4.44Å; L1344-V1355 HydrophobicContact CG-CG1 4.2Å; L1344-V1355 HydrophobicContact CG-CG2 4.24Å; G1353-V1355 PolarHBondContact O-N 3.35Å; V1355-H1357 PolarHBondContact O-N 3.04Å; V1355-V1358 PolarHBondContact O-N 3.5Å; V1355-S1359 WeakPolarHBondContact O-CB 3.49Å; V1355-S1359 PolarHBondContact O-N 3.33Å |
| 1356 | H | 88.6 | Confident | 82.2 | Confident | 136 Ų | 136 | 55.7 Ų | 55.7 | 63% | 0.63 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.9 | -43.6 | -178.5 | -178.8 | 65.2 | 0 | 0 | 0 | 112.9 | H1354 T1360 | H1354-H1356 PolarHBondContact O-N 3.49Å; H1354-H1356 VanDerWaalsContact O-N 3.14Å; H1356-T1360 VanDerWaalsContact O-CB 3.26Å; H1356-T1360 WeakPolarHBondContact O-CB 3.3Å; H1356-T1360 PolarHBondContact O-N 2.88Å; H1356-T1360 PolarHBondContact O-OG1 3.08Å |
| 1357 | H | 90.8 | Very high | 81.1 | Confident | 61 Ų | 61 | 65.3 Ų | 65.3 | 28% | 0.282 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70 | -42.2 | 179.7 | -60.1 | 159.7 | 0 | 0 | 0 | 112 | V1334 C1335 H1354 V1355 T1360 W1361 | V1334-H1357 HydrophobicContact CB-CB 3.92Å; V1334-H1357 HydrophobicContact CG1-CB 4.14Å; V1334-H1357 HydrophobicContact CG2-CB 4.17Å; C1335-H1357 PolarHBondContact SG-CE1 3.48Å; C1335-H1357 PolarHBondContact SG-ND1 3.37Å; C1335-H1357 VanDerWaalsContact SG-ND1 3.37Å; H1354-H1357 HydrophobicContact CB-CB 4.43Å; H1354-H1357 AromaticContact ND1-CE1 3.99Å; H1354-H1357 AromaticContact ND1-ND1 3.71Å; H1354-H1357 PolarHBondContact O-N 3.02Å; V1355-H1357 PolarHBondContact O-N 3.04Å; H1357-T1360 PolarHBondContact O-N 3.11Å; H1357-W1361 WeakPolarHBondContact O-CB 3.37Å; H1357-W1361 PolarHBondContact O-N 3.04Å |
| 1358 | V | 87.4 | Confident | 80.2 | Confident | 8 Ų | 8 | 65.5 Ų | 65.5 | 5% | 0.048 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 179.5 | 178.1 | 0 | 0 | 0 | 0 | 111 | L1344 H1354 V1355 W1361 F1362 | L1344-V1358 HydrophobicContact CB-CB 4.21Å; L1344-V1358 HydrophobicContact CB-CG1 3.94Å; L1344-V1358 HydrophobicContact CB-CG2 4.47Å; L1344-V1358 HydrophobicContact CD1-CB 4.21Å; L1344-V1358 HydrophobicContact CD1-CG1 4Å; H1354-V1358 PolarHBondContact O-N 3.39Å; H1354-V1358 VanDerWaalsContact O-N 3.08Å; V1355-V1358 PolarHBondContact O-N 3.5Å; V1358-W1361 PolarHBondContact O-N 3.01Å; V1358-F1362 HydrophobicContact CG1-CD2 3.88Å; V1358-F1362 HydrophobicContact CG1-CE2 3.46Å; V1358-F1362 VanDerWaalsContact CG1-CE2 3.46Å; V1358-F1362 HydrophobicContact CG1-CZ 4.5Å; V1358-F1362 WeakPolarHBondContact O-CD2 3.28Å; V1358-F1362 PolarHBondContact O-N 3.37Å |
| 1359 | S | 86.1 | Confident | 79.3 | Confident | 49 Ų | 49 | 66.7 Ų | 66.7 | 34% | 0.343 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 172.6 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | V1355 W1361 F1362 N1363 | V1355-S1359 WeakPolarHBondContact O-CB 3.49Å; V1355-S1359 PolarHBondContact O-N 3.33Å; S1359-W1361 VanDerWaalsContact C-N 3.32Å; S1359-W1361 PolarHBondContact O-N 3.3Å; S1359-F1362 PolarHBondContact O-N 3.4Å; S1359-N1363 VanDerWaalsContact O-CB 3.29Å; S1359-N1363 WeakPolarHBondContact O-CB 3.39Å; S1359-N1363 PolarHBondContact O-N 3.04Å; S1359-N1363 PolarHBondContact O-ND2 3.26Å; S1359-N1363 VanDerWaalsContact O-ND2 3.14Å; S1359-N1363 PolarHBondContact OG-ND2 2.74Å |
| 1360 | T | 87.1 | Confident | 78.2 | Confident | 72 Ų | 72 | 70.8 Ų | 70.8 | 44% | 0.442 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 177.9 | -59 | 0 | 0 | 0 | 0 | 111.9 | H1356 H1357 S1364 | H1356-T1360 VanDerWaalsContact O-CB 3.26Å; H1356-T1360 WeakPolarHBondContact O-CB 3.3Å; H1356-T1360 PolarHBondContact O-N 2.88Å; H1356-T1360 PolarHBondContact O-OG1 3.08Å; H1357-T1360 PolarHBondContact O-N 3.11Å; T1360-S1364 WeakPolarHBondContact O-CB 3.42Å; T1360-S1364 PolarHBondContact O-N 2.8Å; T1360-S1364 PolarHBondContact O-OG 2.9Å |
| 1361 | W | 88 | Confident | 77.5 | Confident | 93 Ų | 93 | 71.1 Ų | 71.1 | 35% | 0.352 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.8 | -59.3 | 173.4 | 177.1 | -99.1 | 0 | 0 | 0 | 111.8 | V1334 H1357 V1358 S1359 N1363 S1364 V1365 Q1373 P1375 | V1334-W1361 HydrophobicContact CG2-CB 4.39Å; H1357-W1361 WeakPolarHBondContact O-CB 3.37Å; H1357-W1361 PolarHBondContact O-N 3.04Å; V1358-W1361 PolarHBondContact O-N 3.01Å; S1359-W1361 VanDerWaalsContact C-N 3.32Å; S1359-W1361 PolarHBondContact O-N 3.3Å; W1361-N1363 VanDerWaalsContact C-N 3.29Å; W1361-N1363 PolarHBondContact O-N 3.46Å; W1361-S1364 PolarHBondContact O-N 3.01Å; W1361-S1364 PolarHBondContact O-OG 3.08Å; W1361-V1365 HydrophobicContact CD2-CG2 4.38Å; W1361-V1365 HydrophobicContact CZ2-CG2 4.28Å; W1361-V1365 PolarHBondContact O-N 3.36Å; W1361-Q1373 PolarHBondContact NE1-O 2.76Å; W1361-P1375 HydrophobicContact CD2-CB 3.77Å; W1361-P1375 HydrophobicContact CE3-CB 4.34Å; W1361-P1375 HydrophobicContact CG-CB 3.94Å; W1361-P1375 HydrophobicContact CG-CG 4.39Å; W1361-P1375 HydrophobicContact CZ2-CB 4.19Å |
| 1362 | F | 85.6 | Confident | 76.9 | Confident | 22 Ų | 22 | 71.8 Ų | 71.8 | 10% | 0.096 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.4 | -30.9 | -176.7 | -65.6 | -54.6 | 0 | 0 | 0 | 113.6 | V1358 S1359 S1364 G1366 R1372 Q1373 C1383 | V1358-F1362 HydrophobicContact CG1-CD2 3.88Å; V1358-F1362 HydrophobicContact CG1-CE2 3.46Å; V1358-F1362 VanDerWaalsContact CG1-CE2 3.46Å; V1358-F1362 HydrophobicContact CG1-CZ 4.5Å; V1358-F1362 WeakPolarHBondContact O-CD2 3.28Å; V1358-F1362 PolarHBondContact O-N 3.37Å; S1359-F1362 PolarHBondContact O-N 3.4Å; F1362-S1364 VanDerWaalsContact C-N 3.35Å; F1362-G1366 PolarHBondContact O-N 3.15Å; F1362-G1366 VanDerWaalsContact O-N 3.12Å; F1362-R1372 HydrophobicContact CD1-CB 3.93Å; F1362-R1372 HydrophobicContact CD1-CG 4.45Å; F1362-R1372 HydrophobicContact CE1-CB 4.39Å; F1362-Q1373 WeakPolarHBondContact CE1-O 3.21Å; F1362-C1383 HydrophobicContact CE1-CB 4.14Å; F1362-C1383 HydrophobicContact CE2-CB 4.37Å; F1362-C1383 HydrophobicContact CZ-CB 3.56Å |
| 1363 | N | 81.7 | Confident | 76.8 | Confident | 95 Ų | 95 | 75.6 Ų | 75.6 | 51% | 0.508 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71.4 | -27 | 173.4 | -70 | -27.5 | 0 | 0 | 0 | 113.1 | S1359 W1361 | S1359-N1363 VanDerWaalsContact O-CB 3.29Å; S1359-N1363 WeakPolarHBondContact O-CB 3.39Å; S1359-N1363 PolarHBondContact O-N 3.04Å; S1359-N1363 PolarHBondContact O-ND2 3.26Å; S1359-N1363 VanDerWaalsContact O-ND2 3.14Å; S1359-N1363 PolarHBondContact OG-ND2 2.74Å; W1361-N1363 VanDerWaalsContact C-N 3.29Å; W1361-N1363 PolarHBondContact O-N 3.46Å |
| 1364 | S | 75.7 | Confident | 76.7 | Confident | 61 Ų | 61 | 75.9 Ų | 75.9 | 43% | 0.427 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -76 | -46.8 | 173.4 | 73.5 | 0 | 0 | 0 | 0 | 112.2 | T1360 W1361 F1362 G1366 R1367 | T1360-S1364 WeakPolarHBondContact O-CB 3.42Å; T1360-S1364 PolarHBondContact O-N 2.8Å; T1360-S1364 PolarHBondContact O-OG 2.9Å; W1361-S1364 PolarHBondContact O-N 3.01Å; W1361-S1364 PolarHBondContact O-OG 3.08Å; F1362-S1364 VanDerWaalsContact C-N 3.35Å; S1364-G1366 VanDerWaalsContact C-N 3.27Å; S1364-G1366 PolarHBondContact O-N 3.39Å; S1364-R1367 PolarHBondContact O-N 3.13Å |
| 1365 | V | 66 | Low | 76.5 | Confident | 24 Ų | 24 | 74.6 Ų | 74.6 | 15% | 0.145 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.7 | -37.5 | 178.8 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | W1361 R1367 N1368 L1370 P1371 | W1361-V1365 HydrophobicContact CD2-CG2 4.38Å; W1361-V1365 HydrophobicContact CZ2-CG2 4.28Å; W1361-V1365 PolarHBondContact O-N 3.36Å; V1365-R1367 PolarHBondContact O-N 3.25Å; V1365-N1368 PolarHBondContact O-N 2.74Å; V1365-N1368 VanDerWaalsContact O-N 3.13Å; V1365-L1370 HydrophobicContact CG1-CB 4.06Å; V1365-P1371 WeakPolarHBondContact CG1-O 3.44Å |
| 1366 | G | 58.1 | Low | 76.4 | Confident | 36 Ų | 36 | 76.6 Ų | 76.6 | 37% | 0.371 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -7.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | F1362 S1364 | F1362-G1366 PolarHBondContact O-N 3.15Å; F1362-G1366 VanDerWaalsContact O-N 3.12Å; S1364-G1366 VanDerWaalsContact C-N 3.27Å; S1364-G1366 PolarHBondContact O-N 3.39Å |
| 1367 | R | 57.8 | Low | 75.9 | Confident | 218 Ų | 218 | 75.3 Ų | 75.3 | 82% | 0.823 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -16.9 | 174.3 | -66.7 | -169.5 | 178.1 | -159.1 | -0.7 | 114.3 | S1364 V1365 | S1364-R1367 PolarHBondContact O-N 3.13Å; V1365-R1367 PolarHBondContact O-N 3.25Å |
| 1368 | N | 57.2 | Low | 75.3 | Confident | 116 Ų | 116 | 80 Ų | 80 | 62% | 0.62 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 12.1 | -164.8 | -67.5 | 4 | 0 | 0 | 0 | 114.1 | V1365 L1370 | V1365-N1368 PolarHBondContact O-N 2.74Å; V1365-N1368 VanDerWaalsContact O-N 3.13Å; N1368-L1370 HydrophobicContact CB-CD1 4.08Å; N1368-L1370 HydrophobicContact CB-CG 4.21Å; N1368-L1370 PolarHBondContact O-N 2.99Å |
| 1369 | N | 58.5 | Low | 75 | Confident | 167 Ų | 167 | 80.1 Ų | 80.1 | 89% | 0.893 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 9.6 | -168.8 | -79 | -4.5 | 0 | 0 | 0 | 115.5 | ||
| 1370 | L | 60 | Low | 74.7 | Confident | 107 Ų | 107 | 85.9 Ų | 85.9 | 56% | 0.56 | 44% | 0.439 | S | S | * | . | trans | -74 | 142.5 | 172.8 | -70 | 169.4 | 0 | 0 | 0 | 109.8 | V1365 N1368 | V1365-L1370 HydrophobicContact CG1-CB 4.06Å; N1368-L1370 HydrophobicContact CB-CD1 4.08Å; N1368-L1370 HydrophobicContact CB-CG 4.21Å; N1368-L1370 PolarHBondContact O-N 2.99Å | ||
| 1371 | P | 63.4 | Low | 74.5 | Confident | 70 Ų | 70 | 83.6 Ų | 83.6 | 46% | 0.455 | 43% | 0.426 | S | S | . | . | trans | -63.6 | 148.2 | 177 | 29.5 | -36.1 | 0 | 0 | 0 | 110.3 | V1365 Q1373 F1382 | V1365-P1371 WeakPolarHBondContact CG1-O 3.44Å; P1371-Q1373 PolarHBondContact O-N 3.12Å; P1371-F1382 HydrophobicContact CB-CD1 3.76Å; P1371-F1382 HydrophobicContact CB-CE1 3.57Å; P1371-F1382 HydrophobicContact CB-CZ 4.3Å; P1371-F1382 HydrophobicContact CG-CD1 4.26Å; P1371-F1382 HydrophobicContact CG-CE1 3.59Å; P1371-F1382 HydrophobicContact CG-CZ 4.21Å | ||
| 1372 | R | 74 | Confident | 74.3 | Confident | 61 Ų | 61 | 84.3 Ų | 84.3 | 23% | 0.23 | 43% | 0.432 | C | S | . | . | trans | -76.3 | 66.3 | -174.2 | -71.8 | -179.5 | 176.6 | -171.1 | -1.6 | 112 | F1362 C1383 F1384 | F1362-R1372 HydrophobicContact CD1-CB 3.93Å; F1362-R1372 HydrophobicContact CD1-CG 4.45Å; F1362-R1372 HydrophobicContact CE1-CB 4.39Å; R1372-C1383 PolarHBondContact O-N 3.23Å; R1372-F1384 HydrophobicContact CB-CB 3.8Å; R1372-F1384 HydrophobicContact CG-CB 4.43Å | ||
| 1373 | Q | 81.5 | Confident | 74 | Confident | 85 Ų | 85 | 84.8 Ų | 84.8 | 40% | 0.397 | 44% | 0.437 | S | S | . | . | B | Isolated β-bridge | trans | -69.4 | 149 | 179.8 | -171.5 | 174.3 | -2.2 | 0 | 0 | 112.1 | W1361 F1362 P1371 C1379 F1382 | W1361-Q1373 PolarHBondContact NE1-O 2.76Å; F1362-Q1373 WeakPolarHBondContact CE1-O 3.21Å; P1371-Q1373 PolarHBondContact O-N 3.12Å; Q1373-C1379 WeakPolarHBondContact CG-O 3.35Å; Q1373-C1379 PolarHBondContact NE2-O 3.03Å; Q1373-F1382 HydrophobicContact CB-CD1 4.21Å; Q1373-F1382 HydrophobicContact CB-CE1 4.23Å |
| 1374 | C | 86.2 | Confident | 73.5 | Confident | 7 Ų | 7 | 85 Ų | 85 | 5% | 0.047 | 43% | 0.434 | C | S | . | . | trans | -52.5 | 137.3 | 175 | -169.6 | 0 | 0 | 0 | 0 | 113 | H1351 F1376 C1379 C1381 C1383 | H1351-C1374 WeakPolarHBondContact CB-SG 3.39Å; C1374-F1376 PolarHBondContact O-N 3.39Å; C1374-C1379 HydrophobicContact CB-CB 3.83Å; C1374-C1381 WeakPolarHBondContact CB-O 3.46Å; C1374-C1381 PolarHBondContact N-O 2.96Å; C1374-C1383 VanDerWaalsContact CB-SG 3.54Å | ||
| 1375 | P | 85.6 | Confident | 72.7 | Confident | 22 Ų | 22 | 87.6 Ų | 87.6 | 14% | 0.143 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -68.6 | -5.4 | 174.5 | 26.9 | -35.8 | 0 | 0 | 0 | 115 | T1333 V1334 W1361 | T1333-P1375 WeakPolarHBondContact OG1-CG 3.5Å; V1334-P1375 HydrophobicContact CG2-CB 3.91Å; V1334-P1375 HydrophobicContact CG2-CG 4.11Å; W1361-P1375 HydrophobicContact CD2-CB 3.77Å; W1361-P1375 HydrophobicContact CE3-CB 4.34Å; W1361-P1375 HydrophobicContact CG-CB 3.94Å; W1361-P1375 HydrophobicContact CG-CG 4.39Å; W1361-P1375 HydrophobicContact CZ2-CB 4.19Å |
| 1376 | F | 84.6 | Confident | 72 | Confident | 99 Ų | 99 | 91.1 Ų | 91.1 | 43% | 0.434 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -83 | 129.3 | 178.2 | -168.6 | -97.4 | 0 | 0 | 0 | 111.4 | T1333 H1351 C1374 N1378 C1379 | T1333-F1376 HydrophobicContact CG2-CB 4.14Å; T1333-F1376 HydrophobicContact CG2-CD2 3.89Å; T1333-F1376 HydrophobicContact CG2-CG 4.46Å; H1351-F1376 HydrophobicContact CB-CB 4.3Å; H1351-F1376 AromaticContact CD2-CD2 3.91Å; H1351-F1376 AromaticContact CD2-CG 3.65Å; H1351-F1376 AromaticContact CE1-CD1 3.44Å; H1351-F1376 VanDerWaalsContact CE1-CD1 3.44Å; H1351-F1376 WeakPolarHBondContact CE1-CD1 3.26Å; H1351-F1376 AromaticContact CE1-CG 3.73Å; H1351-F1376 AromaticContact NE2-CD1 3.33Å; H1351-F1376 VanDerWaalsContact NE2-CD1 3.33Å; H1351-F1376 WeakPolarHBondContact NE2-CD1 3.47Å; H1351-F1376 AromaticContact NE2-CD2 3.93Å; H1351-F1376 AromaticContact NE2-CE1 3.71Å; H1351-F1376 AromaticContact NE2-CG 3.45Å; H1351-F1376 WeakPolarHBondContact NE2-CG 3.46Å; C1374-F1376 PolarHBondContact O-N 3.39Å; F1376-N1378 PolarHBondContact O-N 3.25Å; F1376-C1379 HydrophobicContact CB-CB 4.01Å; F1376-C1379 HydrophobicContact CD1-CB 4.22Å; F1376-C1379 WeakPolarHBondContact O-CB 3.36Å; F1376-C1379 PolarHBondContact O-N 2.79Å |
| 1377 | I | 77.7 | Confident | 71.1 | Confident | 109 Ų | 109 | 97.4 Ų | 97.4 | 56% | 0.559 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 131.4 | 179.1 | -59.7 | 174.2 | 0 | 0 | 0 | 109.2 | C1379 | I1377-C1379 VanDerWaalsContact C-N 3.33Š|
| 1378 | N | 78.1 | Confident | 70.2 | Confident | 159 Ų | 159 | 94.6 Ų | 94.6 | 85% | 0.85 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 18.7 | -173.5 | -50.4 | -13 | 0 | 0 | 0 | 115.5 | F1376 | F1376-N1378 PolarHBondContact O-N 3.25Š|
| 1379 | C | 81.4 | Confident | 69.4 | Low | 11 Ų | 11 | 99.3 Ų | 99.3 | 7% | 0.074 | 49% | 0.493 | C | S | . | . | trans | -100.9 | 113.7 | 169.2 | -171.4 | 0 | 0 | 0 | 0 | 111.5 | H1351 Q1373 C1374 F1376 I1377 C1381 | H1351-C1379 PolarHBondContact ND1-SG 3.41Å; Q1373-C1379 WeakPolarHBondContact CG-O 3.35Å; Q1373-C1379 PolarHBondContact NE2-O 3.03Å; C1374-C1379 HydrophobicContact CB-CB 3.83Å; F1376-C1379 HydrophobicContact CB-CB 4.01Å; F1376-C1379 HydrophobicContact CD1-CB 4.22Å; F1376-C1379 WeakPolarHBondContact O-CB 3.36Å; F1376-C1379 PolarHBondContact O-N 2.79Å; I1377-C1379 VanDerWaalsContact C-N 3.33Å; C1379-C1381 VanDerWaalsContact C-N 3.26Å; C1379-C1381 PolarHBondContact O-N 3.2Å; C1379-C1381 VanDerWaalsContact SG-CB 3.59Å | ||
| 1380 | E | 80.7 | Confident | 68.2 | Low | 169 Ų | 169 | 96 Ų | 96 | 79% | 0.79 | 48% | 0.483 | S | S | * | . | trans | -83.8 | 3.3 | 179.3 | -59.4 | -173.8 | 159.8 | 0 | 0 | 113.5 | F1382 | E1380-F1382 PolarHBondContact O-N 3.17Š| ||
| 1381 | C | 82.6 | Confident | 66.9 | Low | 24 Ų | 24 | 97 Ų | 97 | 16% | 0.162 | 49% | 0.494 | C | S | . | . | trans | -69.9 | 127.7 | -177.2 | -177.8 | 0 | 0 | 0 | 0 | 112.5 | C1349 C1374 C1379 C1383 | C1349-C1381 HydrophobicContact CB-CB 3.64Å; C1374-C1381 WeakPolarHBondContact CB-O 3.46Å; C1374-C1381 PolarHBondContact N-O 2.96Å; C1379-C1381 VanDerWaalsContact C-N 3.26Å; C1379-C1381 PolarHBondContact O-N 3.2Å; C1379-C1381 VanDerWaalsContact SG-CB 3.59Å; C1381-C1383 PolarHBondContact O-N 3.03Å | ||
| 1382 | F | 83.7 | Confident | 65.4 | Low | 109 Ų | 109 | 101.7 Ų | 101.7 | 48% | 0.478 | 51% | 0.51 | S | S | . | . | B | Isolated β-bridge | trans | -84.1 | 90.5 | 166.9 | -55.8 | -56.3 | 0 | 0 | 0 | 109.6 | P1371 Q1373 E1380 F1384 | P1371-F1382 HydrophobicContact CB-CD1 3.76Å; P1371-F1382 HydrophobicContact CB-CE1 3.57Å; P1371-F1382 HydrophobicContact CB-CZ 4.3Å; P1371-F1382 HydrophobicContact CG-CD1 4.26Å; P1371-F1382 HydrophobicContact CG-CE1 3.59Å; P1371-F1382 HydrophobicContact CG-CZ 4.21Å; Q1373-F1382 HydrophobicContact CB-CD1 4.21Å; Q1373-F1382 HydrophobicContact CB-CE1 4.23Å; E1380-F1382 PolarHBondContact O-N 3.17Å; F1382-F1384 PolarHBondContact O-N 2.89Å |
| 1383 | C | 80.6 | Confident | 63.3 | Low | 32 Ų | 32 | 105.4 Ų | 105.4 | 22% | 0.216 | 54% | 0.539 | C | S | . | . | trans | -69.2 | -1.1 | -173.8 | -57.7 | 0 | 0 | 0 | 0 | 114.7 | C1346 F1362 R1372 C1374 C1381 | C1346-C1383 HydrophobicContact CB-CB 4Å; C1346-C1383 VanDerWaalsContact SG-SG 3.66Å; F1362-C1383 HydrophobicContact CE1-CB 4.14Å; F1362-C1383 HydrophobicContact CE2-CB 4.37Å; F1362-C1383 HydrophobicContact CZ-CB 3.56Å; R1372-C1383 PolarHBondContact O-N 3.23Å; C1374-C1383 VanDerWaalsContact CB-SG 3.54Å; C1381-C1383 PolarHBondContact O-N 3.03Å | ||
| 1384 | F | 69.8 | Low | 61.1 | Low | 99 Ų | 99 | 110.1 Ų | 110.1 | 43% | 0.434 | 57% | 0.574 | S | S | . | * | trans | -140.3 | 116.4 | -177.5 | -162 | -69.8 | 0 | 0 | 0 | 109.5 | R1372 F1382 N1386 | R1372-F1384 HydrophobicContact CB-CB 3.8Å; R1372-F1384 HydrophobicContact CG-CB 4.43Å; F1382-F1384 PolarHBondContact O-N 2.89Å; F1384-N1386 VanDerWaalsContact CE1-OD1 3.3Å; F1384-N1386 WeakPolarHBondContact CE1-OD1 3.5Å | ||
| 1385 | V | 59.9 | Low | 59.9 | Low | 116 Ų | 116 | 115.3 Ų | 115.3 | 70% | 0.703 | 60% | 0.6 | S | S | * | * | trans | -101.2 | 130 | 176.3 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1386 | N | 51.4 | Low | 58.5 | Low | 97 Ų | 97 | 120.2 Ų | 120.2 | 52% | 0.519 | 62% | 0.624 | S | S | . | * | trans | -91.2 | 122.6 | 170.9 | -85.3 | 10.4 | 0 | 0 | 0 | 109.4 | F1384 M1388 | F1384-N1386 VanDerWaalsContact CE1-OD1 3.3Å; F1384-N1386 WeakPolarHBondContact CE1-OD1 3.5Å; N1386-M1388 PolarHBondContact O-N 2.78Å | ||
| 1387 | E | 38 | Very low | 57.1 | Low | 169 Ų | 169 | 121.4 Ų | 121.4 | 79% | 0.79 | 64% | 0.635 | S | S | * | * | trans | -76.6 | 28.6 | -180 | -64 | 178.5 | 132.9 | 0 | 0 | 114.2 | Y1389 S1390 | E1387-Y1389 VanDerWaalsContact C-N 3.32Å; E1387-Y1389 PolarHBondContact O-N 3.39Å; E1387-S1390 PolarHBondContact O-OG 3.49Å | ||
| 1388 | M | 39.3 | Very low | 55.8 | Low | 158 Ų | 158 | 122.1 Ų | 122.1 | 78% | 0.778 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 22.7 | -174.3 | -76.2 | -168.9 | 150.8 | 0 | 0 | 115 | N1386 | N1386-M1388 PolarHBondContact O-N 2.78Š|
| 1389 | Y | 40 | Very low | 54.5 | Low | 216 Ų | 216 | 119.8 Ų | 119.8 | 85% | 0.847 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.8 | 0.1 | -180 | -81.4 | -75.9 | 0 | 0 | 0 | 115.8 | E1387 T1391 | E1387-Y1389 VanDerWaalsContact C-N 3.32Å; E1387-Y1389 PolarHBondContact O-N 3.39Å; Y1389-T1391 VanDerWaalsContact C-N 3.25Å; Y1389-T1391 PolarHBondContact O-N 2.82Å; Y1389-T1391 VanDerWaalsContact O-N 3.08Å |
| 1390 | S | 34.1 | Very low | 52.7 | Low | 97 Ų | 97 | 127.1 Ų | 127.1 | 68% | 0.678 | 66% | 0.663 | S | S | * | * | trans | -85 | 44.9 | 179.2 | 42.5 | 0 | 0 | 0 | 0 | 114 | E1387 | E1387-S1390 PolarHBondContact O-OG 3.49Š| ||
| 1391 | T | 31.8 | Very low | 50.7 | Low | 128 Ų | 128 | 124.1 Ų | 124.1 | 79% | 0.785 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -126.2 | 37 | 171 | 44.7 | 0 | 0 | 0 | 0 | 113 | Y1389 | Y1389-T1391 VanDerWaalsContact C-N 3.25Å; Y1389-T1391 PolarHBondContact O-N 2.82Å; Y1389-T1391 VanDerWaalsContact O-N 3.08Å |
| 1392 | Q | 33.1 | Very low | 48.2 | Very low | 169 Ų | 169 | 131.8 Ų | 131.8 | 79% | 0.79 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -157.1 | 133.9 | 161.5 | -108.6 | 145.1 | 76.4 | 0 | 0 | 110 | ||
| 1393 | T | 30.2 | Very low | 45.3 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 85% | 0.847 | 71% | 0.709 | S | S | * | * | trans | 49.5 | 100.6 | 169.8 | 58.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1394 | V | 34.8 | Very low | 42 | Very low | 185 Ų | 185 | 142.9 Ų | 142.9 | 100% | 1.121 | 75% | 0.754 | S | S | * | * | -150.4 | 0 | 121.4 | 140.8 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 1,394 of 1,394 residues in 1727.1 ms
(Link to these results)