| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.9 | Very low | 57 | Low | 245 Ų | 245 | 114.5 Ų | 114.5 | 100% | 1.207 | 60% | 0.595 | S | S | * | * | 0 | 78.7 | 0 | -99.7 | 178.6 | 80.1 | 0 | 0 | 107.2 | |||||
| 2 | E | 33.3 | Very low | 59.2 | Low | 194 Ų | 194 | 119.9 Ų | 119.9 | 91% | 0.907 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 124.9 | 170.7 | -72.6 | -177.4 | 147.4 | 0 | 0 | 107.2 | E4 | E2-E4 PolarHBondContact O-N 3.26Š|
| 3 | R | 37.5 | Very low | 61.2 | Low | 243 Ų | 243 | 113.2 Ų | 113.2 | 92% | 0.917 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 119.8 | 174.6 | -83.3 | 176.2 | 169.7 | 171.8 | -4.1 | 107.8 | ||
| 4 | E | 41.3 | Very low | 62.9 | Low | 183 Ų | 183 | 105.1 Ų | 105.1 | 86% | 0.855 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -48.9 | 127.1 | 164.1 | -74.4 | 178.3 | 159.9 | 0 | 0 | 108.8 | E2 G6 | E2-E4 PolarHBondContact O-N 3.26Å; E4-G6 PolarHBondContact O-N 3.02Å |
| 5 | P | 51 | Low | 64.3 | Low | 89 Ų | 89 | 99.7 Ų | 99.7 | 58% | 0.578 | 52% | 0.516 | S | S | * | . | trans | -70.5 | 104.9 | 179.7 | 27.2 | -30.2 | 0 | 0 | 0 | 107.9 | ||||
| 6 | G | 60 | Low | 65.7 | Low | 52 Ų | 52 | 104.9 Ų | 104.9 | 54% | 0.536 | 53% | 0.527 | S | S | . | . | trans | -53.6 | 162.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E4 A8 G9 | E4-G6 PolarHBondContact O-N 3.02Å; G6-A8 PolarHBondContact O-N 3.39Å; G6-G9 WeakPolarHBondContact O-CA 3.3Å; G6-G9 PolarHBondContact O-N 3.43Å | ||
| 7 | A | 61.4 | Low | 67 | Low | 18 Ų | 18 | 104 Ų | 104 | 15% | 0.149 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -41 | -35.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | G9 V10 R11 E44 | A7-G9 VanDerWaalsContact C-N 3.35Å; A7-G9 PolarHBondContact O-N 2.86Å; A7-V10 PolarHBondContact O-N 3.06Å; A7-R11 PolarHBondContact O-N 3.35Å; A7-E44 HydrophobicContact CB-CB 3.89Å; A7-E44 WeakPolarHBondContact CB-OE2 3.43Å |
| 8 | A | 70 | Confident | 68.1 | Low | 61 Ų | 61 | 98.3 Ų | 98.3 | 50% | 0.504 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.4 | -33 | 175 | 0 | 0 | 0 | 0 | 0 | 114.2 | G6 R12 | G6-A8 PolarHBondContact O-N 3.39Å; A8-R12 PolarHBondContact O-N 3.04Å |
| 9 | G | 76.3 | Confident | 69.2 | Low | 30 Ų | 30 | 98.8 Ų | 98.8 | 31% | 0.309 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.1 | -44.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G6 A7 R12 A13 | G6-G9 WeakPolarHBondContact O-CA 3.3Å; G6-G9 PolarHBondContact O-N 3.43Å; A7-G9 VanDerWaalsContact C-N 3.35Å; A7-G9 PolarHBondContact O-N 2.86Å; G9-R12 PolarHBondContact O-N 3.42Å; G9-A13 PolarHBondContact O-N 3.07Å |
| 10 | V | 80 | Confident | 70 | Confident | 19 Ų | 19 | 95.6 Ų | 95.6 | 12% | 0.115 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 176 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | A7 R12 A13 L14 V37 E45 | A7-V10 PolarHBondContact O-N 3.06Å; V10-R12 PolarHBondContact O-N 3.2Å; V10-A13 PolarHBondContact O-N 2.84Å; V10-A13 VanDerWaalsContact O-N 3.11Å; V10-L14 HydrophobicContact CG1-CD1 3.82Å; V10-L14 HydrophobicContact CG1-CG 4.11Å; V10-L14 WeakPolarHBondContact O-CB 3.41Å; V10-L14 WeakPolarHBondContact O-CG 3.41Å; V10-L14 PolarHBondContact O-N 3.21Å; V10-V37 HydrophobicContact CG1-CG1 4.12Å; V10-E45 HydrophobicContact CB-CG 4.29Å; V10-E45 HydrophobicContact CG1-CB 4.46Å; V10-E45 HydrophobicContact CG1-CG 4.16Å; V10-E45 HydrophobicContact CG2-CG 4.22Å; V10-E45 WeakPolarHBondContact CG2-OE1 3.35Å |
| 11 | R | 82.4 | Confident | 70.8 | Confident | 125 Ų | 125 | 91.1 Ų | 91.1 | 47% | 0.472 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -54.3 | -47.4 | 173.7 | -179.9 | 177.4 | -66.2 | 151.4 | 9.3 | 113 | A7 A13 G15 E48 | A7-R11 PolarHBondContact O-N 3.35Å; R11-A13 VanDerWaalsContact C-N 3.34Å; R11-G15 PolarHBondContact O-N 2.96Å; R11-E48 HydrophobicContact CB-CG 3.88Å; R11-E48 HydrophobicContact CG-CG 3.93Å; R11-E48 IonicContact CZ-OE2 2.74Å; R11-E48 IonicContact NE-OE1 2.91Å; R11-E48 IonicContact NE-OE2 2.71Å; R11-E48 PolarHBondContact NE-OE2 2.86Å; R11-E48 IonicContact NH2-OE2 3.24Å; R11-E48 PolarHBondContact NH2-OE2 3.2Å |
| 12 | R | 83.2 | Confident | 73.2 | Confident | 180 Ų | 180 | 80.8 Ų | 80.8 | 68% | 0.679 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -68.9 | -32.6 | 178.4 | -67.8 | -177.7 | -155.4 | 161.3 | 6 | 112.5 | A8 G9 V10 R16 | A8-R12 PolarHBondContact O-N 3.04Å; G9-R12 PolarHBondContact O-N 3.42Å; V10-R12 PolarHBondContact O-N 3.2Å; R12-R16 WeakPolarHBondContact O-CG 3.38Å; R12-R16 PolarHBondContact O-N 3.39Å; R12-R16 PolarHBondContact O-NE 3.28Å |
| 13 | A | 85 | Confident | 75.7 | Confident | 32 Ų | 32 | 75.7 Ų | 75.7 | 26% | 0.264 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69.8 | -48.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | G9 V10 R11 G15 R16 R17 | G9-A13 PolarHBondContact O-N 3.07Å; V10-A13 PolarHBondContact O-N 2.84Å; V10-A13 VanDerWaalsContact O-N 3.11Å; R11-A13 VanDerWaalsContact C-N 3.34Å; A13-G15 PolarHBondContact O-N 3.24Å; A13-R16 PolarHBondContact O-N 2.99Å; A13-R17 WeakPolarHBondContact O-CG 3.47Å; A13-R17 PolarHBondContact O-N 3.02Å |
| 14 | L | 85.8 | Confident | 78 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 175.9 | -72.9 | 176.6 | 0 | 0 | 0 | 111.9 | V10 R16 R17 L18 I34 V37 E48 A49 T52 | V10-L14 HydrophobicContact CG1-CD1 3.82Å; V10-L14 HydrophobicContact CG1-CG 4.11Å; V10-L14 WeakPolarHBondContact O-CB 3.41Å; V10-L14 WeakPolarHBondContact O-CG 3.41Å; V10-L14 PolarHBondContact O-N 3.21Å; L14-R16 PolarHBondContact O-N 3.43Å; L14-R17 PolarHBondContact O-N 2.74Å; L14-L18 WeakPolarHBondContact O-CB 3.47Å; L14-L18 PolarHBondContact O-N 3.07Å; L14-I34 HydrophobicContact CD2-CB 4.28Å; L14-I34 HydrophobicContact CD2-CG1 4Å; L14-I34 HydrophobicContact CD2-CG2 4.28Å; L14-V37 HydrophobicContact CD1-CG1 4.32Å; L14-V37 HydrophobicContact CD2-CB 4.49Å; L14-V37 HydrophobicContact CD2-CG2 4.08Å; L14-E48 HydrophobicContact CD1-CB 4.26Å; L14-E48 HydrophobicContact CD1-CG 4.01Å; L14-A49 HydrophobicContact CD1-CB 4.32Å; L14-T52 HydrophobicContact CB-CG2 4.23Å |
| 15 | G | 84 | Confident | 79.9 | Confident | 23 Ų | 23 | 63.8 Ų | 63.8 | 24% | 0.237 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | R11 A13 L18 E19 | R11-G15 PolarHBondContact O-N 2.96Å; A13-G15 PolarHBondContact O-N 3.24Å; G15-L18 WeakPolarHBondContact O-CB 3.45Å; G15-L18 PolarHBondContact O-N 3.38Å; G15-E19 WeakPolarHBondContact O-CG 3.49Å; G15-E19 PolarHBondContact O-N 3.47Å; G15-E19 VanDerWaalsContact O-N 3.14Å |
| 16 | R | 86.4 | Confident | 81.1 | Confident | 184 Ų | 184 | 63.5 Ų | 63.5 | 69% | 0.694 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.6 | -42.2 | 175.8 | -77.9 | -175.4 | -78 | 179.6 | -1.3 | 112.4 | R12 A13 L14 E19 A20 | R12-R16 WeakPolarHBondContact O-CG 3.38Å; R12-R16 PolarHBondContact O-N 3.39Å; R12-R16 PolarHBondContact O-NE 3.28Å; A13-R16 PolarHBondContact O-N 2.99Å; L14-R16 PolarHBondContact O-N 3.43Å; R16-E19 PolarHBondContact O-N 3.2Å; R16-A20 WeakPolarHBondContact O-CB 3.46Å; R16-A20 PolarHBondContact O-N 3.08Å |
| 17 | R | 87.2 | Confident | 82.2 | Confident | 89 Ų | 89 | 65.6 Ų | 65.6 | 34% | 0.336 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 176.3 | -74.5 | 176.9 | 166.6 | 155.9 | -7.7 | 111.9 | A13 L14 A20 V21 A30 D33 I34 | A13-R17 WeakPolarHBondContact O-CG 3.47Å; A13-R17 PolarHBondContact O-N 3.02Å; L14-R17 PolarHBondContact O-N 2.74Å; R17-A20 PolarHBondContact O-N 3.33Å; R17-V21 VanDerWaalsContact O-CG2 3.27Å; R17-V21 WeakPolarHBondContact O-CG2 3.33Å; R17-V21 PolarHBondContact O-N 3.23Å; R17-A30 HydrophobicContact CB-CB 4.39Å; R17-A30 HydrophobicContact CG-CB 4.36Å; R17-D33 VanDerWaalsContact CZ-CG 3.49Å; R17-D33 IonicContact CZ-OD2 3.79Å; R17-D33 IonicContact NE-OD2 3.84Å; R17-D33 PolarHBondContact NE-OD2 3.02Å; R17-D33 VanDerWaalsContact NE-OD2 3.17Å; R17-D33 IonicContact NH1-OD2 3.37Å; R17-D33 VanDerWaalsContact NH2-CG 3.27Å; R17-D33 IonicContact NH2-OD1 3.07Å; R17-D33 IonicContact NH2-OD2 2.97Å; R17-D33 PolarHBondContact NH2-OD2 3.49Å; R17-I34 HydrophobicContact CB-CD1 4.09Å; R17-I34 HydrophobicContact CB-CG1 4.13Å |
| 18 | L | 88 | Confident | 83.2 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.7 | -51.9 | 175.4 | 173.7 | 64.7 | 0 | 0 | 0 | 111.7 | L14 G15 A20 V21 L22 T52 R55 L56 | L14-L18 WeakPolarHBondContact O-CB 3.47Å; L14-L18 PolarHBondContact O-N 3.07Å; G15-L18 WeakPolarHBondContact O-CB 3.45Å; G15-L18 PolarHBondContact O-N 3.38Å; L18-A20 VanDerWaalsContact C-N 3.32Å; L18-A20 PolarHBondContact O-N 3.17Å; L18-V21 PolarHBondContact O-N 3.46Å; L18-L22 HydrophobicContact CD1-CD1 3.8Å; L18-L22 HydrophobicContact CD1-CG 4.21Å; L18-L22 HydrophobicContact CG-CD1 4.11Å; L18-L22 WeakPolarHBondContact O-CB 3.45Å; L18-L22 WeakPolarHBondContact O-CG 3.4Å; L18-L22 PolarHBondContact O-N 2.58Å; L18-T52 HydrophobicContact CB-CG2 4.03Å; L18-T52 HydrophobicContact CD1-CG2 4.45Å; L18-T52 HydrophobicContact CD2-CG2 4.34Å; L18-R55 HydrophobicContact CD2-CB 4.01Å; L18-L56 HydrophobicContact CD1-CB 3.53Å; L18-L56 HydrophobicContact CD1-CD1 3.86Å; L18-L56 HydrophobicContact CD1-CG 4.25Å |
| 19 | E | 88 | Confident | 83.9 | Confident | 108 Ų | 108 | 67.6 Ų | 67.6 | 51% | 0.505 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 179.3 | -65.7 | -58.5 | 152.6 | 0 | 0 | 111.4 | G15 R16 L22 A23 R55 | G15-E19 WeakPolarHBondContact O-CG 3.49Å; G15-E19 PolarHBondContact O-N 3.47Å; G15-E19 VanDerWaalsContact O-N 3.14Å; R16-E19 PolarHBondContact O-N 3.2Å; E19-L22 PolarHBondContact O-N 3.49Å; E19-A23 WeakPolarHBondContact O-CB 3.2Å; E19-A23 PolarHBondContact O-N 3.28Å; E19-R55 IonicContact OE1-NH2 2.69Å |
| 20 | A | 85.2 | Confident | 84.3 | Confident | 35 Ų | 35 | 66.8 Ų | 66.8 | 29% | 0.289 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R16 R17 L18 L22 A23 S24 E27 | R16-A20 WeakPolarHBondContact O-CB 3.46Å; R16-A20 PolarHBondContact O-N 3.08Å; R17-A20 PolarHBondContact O-N 3.33Å; L18-A20 VanDerWaalsContact C-N 3.32Å; L18-A20 PolarHBondContact O-N 3.17Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 2.77Å; A20-A23 PolarHBondContact O-N 3.25Å; A20-S24 PolarHBondContact O-N 2.84Å; A20-E27 HydrophobicContact CB-CB 4.23Å; A20-E27 HydrophobicContact CB-CG 4.29Å |
| 21 | V | 86.2 | Confident | 84.6 | Confident | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 178.5 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | R17 L18 A23 E27 A30 V31 L56 | R17-V21 VanDerWaalsContact O-CG2 3.27Å; R17-V21 WeakPolarHBondContact O-CG2 3.33Å; R17-V21 PolarHBondContact O-N 3.23Å; L18-V21 PolarHBondContact O-N 3.46Å; V21-A23 VanDerWaalsContact C-N 3.34Å; V21-E27 WeakPolarHBondContact CG2-O 3.39Å; V21-A30 HydrophobicContact CG2-CB 3.79Å; V21-V31 HydrophobicContact CG1-CG2 3.78Å; V21-V31 HydrophobicContact CG2-CG2 4.13Å; V21-L56 HydrophobicContact CB-CD1 4.1Å; V21-L56 HydrophobicContact CG1-CD1 3.63Å |
| 22 | L | 85.8 | Confident | 84.8 | Confident | 27 Ų | 27 | 64.4 Ų | 64.4 | 14% | 0.141 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -75.1 | -22.7 | 179 | -69.9 | 178.4 | 0 | 0 | 0 | 113.3 | L18 E19 A20 L56 A59 L60 R63 | L18-L22 HydrophobicContact CD1-CD1 3.8Å; L18-L22 HydrophobicContact CD1-CG 4.21Å; L18-L22 HydrophobicContact CG-CD1 4.11Å; L18-L22 WeakPolarHBondContact O-CB 3.45Å; L18-L22 WeakPolarHBondContact O-CG 3.4Å; L18-L22 PolarHBondContact O-N 2.58Å; E19-L22 PolarHBondContact O-N 3.49Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 2.77Å; L22-L56 HydrophobicContact CD2-CD1 3.95Å; L22-L56 HydrophobicContact CG-CD1 4.14Å; L22-A59 HydrophobicContact CD1-CB 4.18Å; L22-A59 HydrophobicContact CD2-CB 3.77Å; L22-L60 HydrophobicContact CD2-CD2 4.4Å; L22-L60 HydrophobicContact CD2-CG 4.44Å; L22-R63 PolarHBondContact O-NH1 2.99Å |
| 23 | A | 85.5 | Confident | 85 | Confident | 88 Ų | 88 | 59.1 Ų | 59.1 | 73% | 0.727 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -86.8 | -38.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E19 A20 V21 | E19-A23 WeakPolarHBondContact O-CB 3.2Å; E19-A23 PolarHBondContact O-N 3.28Å; A20-A23 PolarHBondContact O-N 3.25Å; V21-A23 VanDerWaalsContact C-N 3.34Å |
| 24 | S | 84.6 | Confident | 85.1 | Confident | 49 Ų | 49 | 57.6 Ų | 57.6 | 34% | 0.343 | 30% | 0.303 | S | S | . | . | trans | -138.7 | 133.8 | -176.4 | -175.7 | 0 | 0 | 0 | 0 | 113.6 | A20 S26 E27 | A20-S24 PolarHBondContact O-N 2.84Å; S24-S26 PolarHBondContact O-N 3.36Å; S24-S26 PolarHBondContact OG-N 2.99Å; S24-S26 PolarHBondContact OG-OG 3.29Å; S24-E27 PolarHBondContact O-N 2.73Å | ||
| 25 | R | 81.6 | Confident | 85.2 | Confident | 127 Ų | 127 | 58.7 Ų | 58.7 | 48% | 0.479 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -66.4 | -16.7 | 172.2 | -62.7 | -175.4 | -179.3 | 159.6 | 3.6 | 113.4 | E27 A28 E65 Y88 | R25-E27 VanDerWaalsContact C-N 3.28Å; R25-A28 WeakPolarHBondContact O-CB 3.22Å; R25-E65 IonicContact CZ-OE1 4Å; R25-E65 IonicContact NE-OE1 2.77Å; R25-E65 PolarHBondContact NE-OE1 3.35Å; R25-E65 IonicContact NH2-OE1 3.17Å; R25-E65 PolarHBondContact NH2-OE1 3.11Å; R25-Y88 HydrophobicContact CB-CD2 4.37Å; R25-Y88 HydrophobicContact CB-CE2 4.15Å; R25-Y88 HydrophobicContact CG-CE1 4.1Å; R25-Y88 HydrophobicContact CG-CE2 4.17Å |
| 26 | S | 77 | Confident | 85.4 | Confident | 83 Ų | 83 | 60.2 Ų | 60.2 | 58% | 0.58 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -68.5 | -29.6 | 174.9 | 62.3 | 0 | 0 | 0 | 0 | 112.4 | S24 A28 | S24-S26 PolarHBondContact O-N 3.36Å; S24-S26 PolarHBondContact OG-N 2.99Å; S24-S26 PolarHBondContact OG-OG 3.29Å; S26-A28 VanDerWaalsContact C-N 3.28Å; S26-A28 PolarHBondContact O-N 3.29Å |
| 27 | E | 83.4 | Confident | 85.6 | Confident | 96 Ų | 96 | 52.6 Ų | 52.6 | 45% | 0.449 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -89.9 | 10.7 | -176.6 | -60.1 | -54.5 | 133.4 | 0 | 0 | 112.9 | A20 V21 S24 R25 N29 A30 | A20-E27 HydrophobicContact CB-CB 4.23Å; A20-E27 HydrophobicContact CB-CG 4.29Å; V21-E27 WeakPolarHBondContact CG2-O 3.39Å; S24-E27 PolarHBondContact O-N 2.73Å; R25-E27 VanDerWaalsContact C-N 3.28Å; E27-N29 PolarHBondContact O-N 2.83Å; E27-A30 WeakPolarHBondContact O-CB 3.46Å; E27-A30 PolarHBondContact O-N 3.33Å |
| 28 | A | 81.3 | Confident | 85.6 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -29.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R25 S26 A30 V31 Y88 W91 | R25-A28 WeakPolarHBondContact O-CB 3.22Å; S26-A28 VanDerWaalsContact C-N 3.28Å; S26-A28 PolarHBondContact O-N 3.29Å; A28-A30 PolarHBondContact O-N 3.44Å; A28-V31 VanDerWaalsContact O-CB 3.3Å; A28-V31 WeakPolarHBondContact O-CB 3.42Å; A28-V31 WeakPolarHBondContact O-CG2 3.29Å; A28-V31 PolarHBondContact O-N 2.9Å; A28-V31 VanDerWaalsContact O-N 3.15Å; A28-Y88 HydrophobicContact CB-CD2 4.18Å; A28-Y88 HydrophobicContact CB-CE2 3.66Å; A28-W91 HydrophobicContact CB-CE3 4.46Å; A28-W91 HydrophobicContact CB-CH2 4.45Å; A28-W91 HydrophobicContact CB-CZ3 3.77Å; A28-W91 VanDerWaalsContact O-CH2 3.24Å; A28-W91 WeakPolarHBondContact O-CH2 3.49Å; A28-W91 WeakPolarHBondContact O-CZ3 3.3Å |
| 29 | N | 85.1 | Confident | 85.7 | Confident | 112 Ų | 112 | 54.4 Ų | 54.4 | 60% | 0.599 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -24.9 | 179 | -69.8 | -26.1 | 0 | 0 | 0 | 113.3 | E27 V31 F32 | E27-N29 PolarHBondContact O-N 2.83Å; N29-V31 PolarHBondContact O-N 3.48Å; N29-F32 WeakPolarHBondContact O-CB 3.23Å; N29-F32 PolarHBondContact O-N 3.1Å |
| 30 | A | 85.3 | Confident | 85.8 | Confident | 13 Ų | 13 | 50.8 Ų | 50.8 | 11% | 0.107 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.9 | -13.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R17 V21 E27 A28 F32 D33 I34 | R17-A30 HydrophobicContact CB-CB 4.39Å; R17-A30 HydrophobicContact CG-CB 4.36Å; V21-A30 HydrophobicContact CG2-CB 3.79Å; E27-A30 WeakPolarHBondContact O-CB 3.46Å; E27-A30 PolarHBondContact O-N 3.33Å; A28-A30 PolarHBondContact O-N 3.44Å; A30-F32 PolarHBondContact O-N 3.23Å; A30-D33 WeakPolarHBondContact O-CB 3Å; A30-D33 PolarHBondContact O-N 3.37Å; A30-I34 WeakPolarHBondContact O-CG1 3.37Å; A30-I34 PolarHBondContact O-N 3.23Å |
| 31 | V | 86.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.6 | -36.8 | 170 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | V21 A28 N29 D33 I34 L35 L56 F57 W91 M92 R95 | V21-V31 HydrophobicContact CG1-CG2 3.78Å; V21-V31 HydrophobicContact CG2-CG2 4.13Å; A28-V31 VanDerWaalsContact O-CB 3.3Å; A28-V31 WeakPolarHBondContact O-CB 3.42Å; A28-V31 WeakPolarHBondContact O-CG2 3.29Å; A28-V31 PolarHBondContact O-N 2.9Å; A28-V31 VanDerWaalsContact O-N 3.15Å; N29-V31 PolarHBondContact O-N 3.48Å; V31-D33 VanDerWaalsContact C-N 3.33Å; V31-D33 PolarHBondContact O-N 3.08Å; V31-I34 PolarHBondContact O-N 3.35Å; V31-L35 HydrophobicContact CG1-CD1 3.97Å; V31-L35 HydrophobicContact CG1-CG 4.26Å; V31-L35 WeakPolarHBondContact O-CG 3.31Å; V31-L35 PolarHBondContact O-N 3.39Å; V31-L56 HydrophobicContact CG1-CD2 4.43Å; V31-L56 HydrophobicContact CG2-CD2 4.16Å; V31-F57 HydrophobicContact CG1-CZ 4.11Å; V31-W91 HydrophobicContact CB-CH2 4.35Å; V31-M92 HydrophobicContact CG2-CE 3.83Å; V31-M92 HydrophobicContact CG2-SD 4.09Å; V31-R95 HydrophobicContact CG1-CB 3.97Å; V31-R95 HydrophobicContact CG1-CG 4.18Å |
| 32 | F | 86.7 | Confident | 86 | Confident | 95 Ų | 95 | 61.6 Ų | 61.6 | 42% | 0.417 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 177 | -82.3 | -70.3 | 0 | 0 | 0 | 111.8 | N29 A30 I34 L35 A36 W91 | N29-F32 WeakPolarHBondContact O-CB 3.23Å; N29-F32 PolarHBondContact O-N 3.1Å; A30-F32 PolarHBondContact O-N 3.23Å; F32-I34 PolarHBondContact O-N 3.35Å; F32-L35 PolarHBondContact O-N 2.69Å; F32-A36 WeakPolarHBondContact O-CB 3.25Å; F32-A36 PolarHBondContact O-N 2.96Å; F32-W91 HydrophobicContact CD2-CH2 4.44Å; F32-W91 HydrophobicContact CD2-CZ2 4.02Å; F32-W91 HydrophobicContact CE2-CH2 4.31Å; F32-W91 AromaticContact CE2-CZ2 3.47Å; F32-W91 HydrophobicContact CE2-CZ2 3.47Å; F32-W91 VanDerWaalsContact CE2-CZ2 3.47Å; F32-W91 HydrophobicContact CZ-CZ2 4.08Å |
| 33 | D | 86.1 | Confident | 86.2 | Confident | 68 Ų | 68 | 63.4 Ų | 63.4 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.9 | -35.5 | 178.9 | -65.6 | -22.5 | 0 | 0 | 0 | 111.6 | R17 A30 V31 V37 | R17-D33 VanDerWaalsContact CZ-CG 3.49Å; R17-D33 IonicContact CZ-OD2 3.79Å; R17-D33 IonicContact NE-OD2 3.84Å; R17-D33 PolarHBondContact NE-OD2 3.02Å; R17-D33 VanDerWaalsContact NE-OD2 3.17Å; R17-D33 IonicContact NH1-OD2 3.37Å; R17-D33 VanDerWaalsContact NH2-CG 3.27Å; R17-D33 IonicContact NH2-OD1 3.07Å; R17-D33 IonicContact NH2-OD2 2.97Å; R17-D33 PolarHBondContact NH2-OD2 3.49Å; A30-D33 WeakPolarHBondContact O-CB 3Å; A30-D33 PolarHBondContact O-N 3.37Å; V31-D33 VanDerWaalsContact C-N 3.33Å; V31-D33 PolarHBondContact O-N 3.08Å; D33-V37 WeakPolarHBondContact O-CG2 3.46Å |
| 34 | I | 86.7 | Confident | 86.4 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.3 | -45.3 | 175.8 | -63.8 | 168.6 | 0 | 0 | 0 | 110.3 | L14 R17 A30 V31 F32 A36 V37 T52 L56 | L14-I34 HydrophobicContact CD2-CB 4.28Å; L14-I34 HydrophobicContact CD2-CG1 4Å; L14-I34 HydrophobicContact CD2-CG2 4.28Å; R17-I34 HydrophobicContact CB-CD1 4.09Å; R17-I34 HydrophobicContact CB-CG1 4.13Å; A30-I34 WeakPolarHBondContact O-CG1 3.37Å; A30-I34 PolarHBondContact O-N 3.23Å; V31-I34 PolarHBondContact O-N 3.35Å; F32-I34 PolarHBondContact O-N 3.35Å; I34-A36 VanDerWaalsContact C-N 3.32Å; I34-A36 PolarHBondContact O-N 3.38Å; I34-V37 PolarHBondContact O-N 3.1Å; I34-T52 HydrophobicContact CD1-CG2 4.25Å; I34-T52 HydrophobicContact CG1-CG2 4.49Å; I34-T52 HydrophobicContact CG2-CG2 3.85Å; I34-L56 HydrophobicContact CD1-CD2 4.11Å |
| 35 | L | 88.6 | Confident | 86.7 | Confident | 23 Ų | 23 | 63.9 Ų | 63.9 | 12% | 0.12 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.6 | -31.5 | 179.9 | -68.7 | 176.6 | 0 | 0 | 0 | 112.7 | V31 F32 V37 L38 F57 R95 C99 | V31-L35 HydrophobicContact CG1-CD1 3.97Å; V31-L35 HydrophobicContact CG1-CG 4.26Å; V31-L35 WeakPolarHBondContact O-CG 3.31Å; V31-L35 PolarHBondContact O-N 3.39Å; F32-L35 PolarHBondContact O-N 2.69Å; L35-V37 VanDerWaalsContact C-N 3.26Å; L35-V37 PolarHBondContact O-N 3.28Å; L35-L38 HydrophobicContact CD2-CD1 3.81Å; L35-L38 VanDerWaalsContact O-CB 3.31Å; L35-L38 WeakPolarHBondContact O-CB 3.5Å; L35-L38 PolarHBondContact O-N 2.72Å; L35-L38 VanDerWaalsContact O-N 3.17Å; L35-F57 HydrophobicContact CD2-CE2 4.37Å; L35-R95 HydrophobicContact CD1-CB 4.3Å; L35-C99 HydrophobicContact CD2-CB 3.71Å |
| 36 | A | 89.3 | Confident | 87.2 | Confident | 56 Ų | 56 | 58 Ų | 58 | 46% | 0.463 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.8 | -35.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | F32 I34 L38 Q39 | F32-A36 WeakPolarHBondContact O-CB 3.25Å; F32-A36 PolarHBondContact O-N 2.96Å; I34-A36 VanDerWaalsContact C-N 3.32Å; I34-A36 PolarHBondContact O-N 3.38Å; A36-L38 PolarHBondContact O-N 2.83Å; A36-Q39 WeakPolarHBondContact O-CB 3.49Å; A36-Q39 PolarHBondContact O-N 3.27Å |
| 37 | V | 89.4 | Confident | 87.9 | Confident | 23 Ų | 23 | 55 Ų | 55 | 14% | 0.139 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.7 | -20.4 | 178.8 | -173.3 | 0 | 0 | 0 | 0 | 112.4 | V10 L14 D33 I34 L35 Q39 S40 E45 A49 | V10-V37 HydrophobicContact CG1-CG1 4.12Å; L14-V37 HydrophobicContact CD1-CG1 4.32Å; L14-V37 HydrophobicContact CD2-CB 4.49Å; L14-V37 HydrophobicContact CD2-CG2 4.08Å; D33-V37 WeakPolarHBondContact O-CG2 3.46Å; I34-V37 PolarHBondContact O-N 3.1Å; L35-V37 VanDerWaalsContact C-N 3.26Å; L35-V37 PolarHBondContact O-N 3.28Å; V37-Q39 PolarHBondContact O-N 3.12Å; V37-Q39 VanDerWaalsContact O-N 3.08Å; V37-S40 WeakPolarHBondContact O-CB 3.34Å; V37-S40 PolarHBondContact O-N 3.25Å; V37-S40 VanDerWaalsContact O-N 3.07Å; V37-E45 HydrophobicContact CG1-CB 3.92Å; V37-A49 HydrophobicContact CB-CB 3.88Å; V37-A49 HydrophobicContact CG1-CB 3.82Å |
| 38 | L | 88.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -6.1 | 169.2 | -62.2 | 172.1 | 0 | 0 | 0 | 113.1 | L35 A36 A49 V50 R102 L106 | L35-L38 HydrophobicContact CD2-CD1 3.81Å; L35-L38 VanDerWaalsContact O-CB 3.31Å; L35-L38 WeakPolarHBondContact O-CB 3.5Å; L35-L38 PolarHBondContact O-N 2.72Å; L35-L38 VanDerWaalsContact O-N 3.17Å; A36-L38 PolarHBondContact O-N 2.83Å; L38-A49 HydrophobicContact CD2-CB 3.67Å; L38-A49 HydrophobicContact CG-CB 4.12Å; L38-V50 HydrophobicContact CD2-CG2 3.74Å; L38-R102 HydrophobicContact CB-CG 3.74Å; L38-R102 HydrophobicContact CD1-CB 4.27Å; L38-R102 HydrophobicContact CD1-CG 3.95Å; L38-R102 HydrophobicContact CG-CG 4.49Å; L38-R102 PolarHBondContact O-NE 3.46Å; L38-R102 VanDerWaalsContact O-NE 3.12Å; L38-R102 PolarHBondContact O-NH2 2.84Å; L38-L106 HydrophobicContact CD2-CD1 4.2Å |
| 39 | Q | 89.1 | Confident | 88.9 | Confident | 128 Ų | 128 | 51.1 Ų | 51.1 | 60% | 0.598 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | 7.7 | 175.3 | -45.3 | -168.3 | -43.9 | 0 | 0 | 113.1 | A36 V37 | A36-Q39 WeakPolarHBondContact O-CB 3.49Å; A36-Q39 PolarHBondContact O-N 3.27Å; V37-Q39 PolarHBondContact O-N 3.12Å; V37-Q39 VanDerWaalsContact O-N 3.08Å |
| 40 | S | 89.6 | Confident | 89.3 | Confident | 33 Ų | 33 | 45.9 Ų | 45.9 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | trans | -62.7 | 156.3 | 174.6 | -172.5 | 0 | 0 | 0 | 0 | 111.4 | V37 D42 E45 I46 | V37-S40 WeakPolarHBondContact O-CB 3.34Å; V37-S40 PolarHBondContact O-N 3.25Å; V37-S40 VanDerWaalsContact O-N 3.07Å; S40-D42 PolarHBondContact OG-N 2.95Å; S40-E45 WeakPolarHBondContact CB-OE2 3.03Å; S40-E45 PolarHBondContact OG-OE2 3.48Å; S40-I46 WeakPolarHBondContact O-CD1 3.45Å | ||
| 41 | E | 86.3 | Confident | 89.8 | Confident | 197 Ų | 197 | 49.5 Ų | 49.5 | 92% | 0.921 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -83.4 | -20.8 | 171.1 | -62.6 | -174.5 | 173.2 | 0 | 0 | 111.7 | Q43 | E41-Q43 PolarHBondContact O-N 3.48Š|
| 42 | D | 89.4 | Confident | 90 | Very high | 66 Ų | 66 | 49.6 Ų | 49.6 | 35% | 0.353 | 25% | 0.247 | S | C | . | . | trans | -79.8 | 119.9 | 179.1 | -173.2 | -13.7 | 0 | 0 | 0 | 111 | S40 E44 E45 I46 | S40-D42 PolarHBondContact OG-N 2.95Å; D42-E44 VanDerWaalsContact C-N 3.3Å; D42-E44 PolarHBondContact O-N 3.15Å; D42-E44 PolarHBondContact OD1-N 3.17Å; D42-E45 HydrophobicContact CB-CB 4.08Å; D42-E45 HydrophobicContact CB-CG 3.8Å; D42-E45 PolarHBondContact O-N 3.24Å; D42-I46 WeakPolarHBondContact O-CG1 3.3Å; D42-I46 PolarHBondContact O-N 3.18Å | ||
| 43 | Q | 90.4 | Very high | 90.4 | Very high | 65 Ų | 65 | 45 Ų | 45 | 30% | 0.304 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -53.9 | -43.6 | 175.4 | 174.4 | 174.4 | -35.8 | 0 | 0 | 112.5 | E41 E45 I46 Q47 S111 V114 | E41-Q43 PolarHBondContact O-N 3.48Å; Q43-E45 VanDerWaalsContact C-N 3.33Å; Q43-E45 PolarHBondContact O-N 2.98Å; Q43-I46 PolarHBondContact O-N 3.34Å; Q43-Q47 HydrophobicContact CG-CG 4.45Å; Q43-Q47 VanDerWaalsContact O-CG 3.25Å; Q43-Q47 WeakPolarHBondContact O-CG 3.24Å; Q43-Q47 PolarHBondContact O-N 3.25Å; Q43-S111 PolarHBondContact NE2-OG 2.75Å; Q43-S111 VanDerWaalsContact NE2-OG 3.08Å; Q43-S111 PolarHBondContact OE1-OG 3.37Å; Q43-V114 HydrophobicContact CG-CG2 3.75Å |
| 44 | E | 89.6 | Confident | 90.7 | Very high | 111 Ų | 111 | 42.4 Ų | 42.4 | 52% | 0.519 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.3 | -37.4 | -177 | -68 | -164.5 | 173.9 | 0 | 0 | 111.7 | A7 D42 Q47 E48 | A7-E44 HydrophobicContact CB-CB 3.89Å; A7-E44 WeakPolarHBondContact CB-OE2 3.43Å; D42-E44 VanDerWaalsContact C-N 3.3Å; D42-E44 PolarHBondContact O-N 3.15Å; D42-E44 PolarHBondContact OD1-N 3.17Å; E44-Q47 PolarHBondContact O-N 3.02Å; E44-E48 PolarHBondContact O-N 3.27Å |
| 45 | E | 90.7 | Very high | 91.1 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 17% | 0.168 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.9 | -45.1 | 175.7 | -65.7 | -173.5 | 171.7 | 0 | 0 | 111.5 | V10 V37 S40 D42 Q43 Q47 E48 A49 | V10-E45 HydrophobicContact CB-CG 4.29Å; V10-E45 HydrophobicContact CG1-CB 4.46Å; V10-E45 HydrophobicContact CG1-CG 4.16Å; V10-E45 HydrophobicContact CG2-CG 4.22Å; V10-E45 WeakPolarHBondContact CG2-OE1 3.35Å; V37-E45 HydrophobicContact CG1-CB 3.92Å; S40-E45 WeakPolarHBondContact CB-OE2 3.03Å; S40-E45 PolarHBondContact OG-OE2 3.48Å; D42-E45 HydrophobicContact CB-CB 4.08Å; D42-E45 HydrophobicContact CB-CG 3.8Å; D42-E45 PolarHBondContact O-N 3.24Å; Q43-E45 VanDerWaalsContact C-N 3.33Å; Q43-E45 PolarHBondContact O-N 2.98Å; E45-Q47 VanDerWaalsContact C-N 3.33Å; E45-Q47 PolarHBondContact O-N 3.34Å; E45-E48 PolarHBondContact O-N 3.02Å; E45-A49 WeakPolarHBondContact O-CB 3.15Å; E45-A49 PolarHBondContact O-N 3.3Å |
| 46 | I | 92.4 | Very high | 91.3 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.3 | -47.5 | 174.9 | -65 | 161 | 0 | 0 | 0 | 109.9 | S40 D42 Q43 E48 A49 V50 L106 V114 | S40-I46 WeakPolarHBondContact O-CD1 3.45Å; D42-I46 WeakPolarHBondContact O-CG1 3.3Å; D42-I46 PolarHBondContact O-N 3.18Å; Q43-I46 PolarHBondContact O-N 3.34Å; I46-E48 VanDerWaalsContact C-N 3.31Å; I46-E48 PolarHBondContact O-N 3.44Å; I46-A49 PolarHBondContact O-N 3.46Å; I46-V50 HydrophobicContact CG2-CG2 4.22Å; I46-V50 VanDerWaalsContact O-CG2 3.28Å; I46-V50 WeakPolarHBondContact O-CG2 3.31Å; I46-V50 PolarHBondContact O-N 2.84Å; I46-L106 HydrophobicContact CG2-CD1 3.87Å; I46-L106 HydrophobicContact CG2-CD2 4Å; I46-V114 HydrophobicContact CG2-CG1 3.71Å; I46-V114 HydrophobicContact CG2-CG2 4.46Å |
| 47 | Q | 92.8 | Very high | 91.5 | Very high | 20 Ų | 20 | 44.7 Ų | 44.7 | 9% | 0.093 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.3 | -42.8 | 179.7 | -71.4 | -174.5 | 13.3 | 0 | 0 | 112.2 | Q43 E44 E45 V50 R51 V114 L117 | Q43-Q47 HydrophobicContact CG-CG 4.45Å; Q43-Q47 VanDerWaalsContact O-CG 3.25Å; Q43-Q47 WeakPolarHBondContact O-CG 3.24Å; Q43-Q47 PolarHBondContact O-N 3.25Å; E44-Q47 PolarHBondContact O-N 3.02Å; E45-Q47 VanDerWaalsContact C-N 3.33Å; E45-Q47 PolarHBondContact O-N 3.34Å; Q47-V50 PolarHBondContact O-N 3.28Å; Q47-R51 WeakPolarHBondContact O-CG 3.42Å; Q47-R51 PolarHBondContact O-N 3.4Å; Q47-R51 VanDerWaalsContact O-N 3.11Å; Q47-V114 HydrophobicContact CG-CG2 4.18Å; Q47-L117 HydrophobicContact CB-CD1 3.89Å; Q47-L117 HydrophobicContact CG-CD1 3.6Å |
| 48 | E | 92.4 | Very high | 91.6 | Very high | 23 Ų | 23 | 43.7 Ų | 43.7 | 11% | 0.107 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.6 | -37.8 | 177.9 | -166.5 | 60.2 | -142.9 | 0 | 0 | 112.2 | R11 L14 E44 E45 I46 R51 T52 | R11-E48 HydrophobicContact CB-CG 3.88Å; R11-E48 HydrophobicContact CG-CG 3.93Å; R11-E48 IonicContact CZ-OE2 2.74Å; R11-E48 IonicContact NE-OE1 2.91Å; R11-E48 IonicContact NE-OE2 2.71Å; R11-E48 PolarHBondContact NE-OE2 2.86Å; R11-E48 IonicContact NH2-OE2 3.24Å; R11-E48 PolarHBondContact NH2-OE2 3.2Å; L14-E48 HydrophobicContact CD1-CB 4.26Å; L14-E48 HydrophobicContact CD1-CG 4.01Å; E44-E48 PolarHBondContact O-N 3.27Å; E45-E48 PolarHBondContact O-N 3.02Å; I46-E48 VanDerWaalsContact C-N 3.31Å; I46-E48 PolarHBondContact O-N 3.44Å; E48-R51 PolarHBondContact O-N 2.83Å; E48-R51 IonicContact OE2-NH1 3.35Å; E48-T52 WeakPolarHBondContact O-CB 3.27Å; E48-T52 PolarHBondContact O-N 3.14Å; E48-T52 PolarHBondContact O-OG1 2.99Å |
| 49 | A | 92.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L14 V37 L38 E45 I46 R51 T52 C53 | L14-A49 HydrophobicContact CD1-CB 4.32Å; V37-A49 HydrophobicContact CB-CB 3.88Å; V37-A49 HydrophobicContact CG1-CB 3.82Å; L38-A49 HydrophobicContact CD2-CB 3.67Å; L38-A49 HydrophobicContact CG-CB 4.12Å; E45-A49 WeakPolarHBondContact O-CB 3.15Å; E45-A49 PolarHBondContact O-N 3.3Å; I46-A49 PolarHBondContact O-N 3.46Å; A49-R51 PolarHBondContact O-N 3.47Å; A49-T52 PolarHBondContact O-N 3.4Å; A49-T52 VanDerWaalsContact O-N 3.16Å; A49-C53 WeakPolarHBondContact O-CB 3.37Å; A49-C53 PolarHBondContact O-N 3.44Å; A49-C53 PolarHBondContact O-SG 3.45Å; A49-C53 VanDerWaalsContact O-SG 3.35Å |
| 50 | V | 93.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.2 | -47.2 | 175.4 | 171.5 | 0 | 0 | 0 | 0 | 111 | L38 I46 Q47 T52 C53 S54 L103 L106 L117 A121 | L38-V50 HydrophobicContact CD2-CG2 3.74Å; I46-V50 HydrophobicContact CG2-CG2 4.22Å; I46-V50 VanDerWaalsContact O-CG2 3.28Å; I46-V50 WeakPolarHBondContact O-CG2 3.31Å; I46-V50 PolarHBondContact O-N 2.84Å; Q47-V50 PolarHBondContact O-N 3.28Å; V50-T52 VanDerWaalsContact C-N 3.33Å; V50-T52 PolarHBondContact O-N 3.03Å; V50-C53 PolarHBondContact O-N 2.96Å; V50-S54 WeakPolarHBondContact O-CB 3.36Å; V50-S54 PolarHBondContact O-N 3.37Å; V50-L103 HydrophobicContact CB-CD2 4.28Å; V50-L103 HydrophobicContact CG1-CD2 3.88Å; V50-L103 HydrophobicContact CG2-CD2 3.76Å; V50-L106 HydrophobicContact CG2-CD1 3.77Å; V50-L117 HydrophobicContact CG1-CB 4.23Å; V50-A121 HydrophobicContact CG1-CB 3.84Å |
| 51 | R | 93.9 | Very high | 92 | Very high | 88 Ų | 88 | 37 Ų | 37 | 33% | 0.332 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.6 | -41.9 | 176.2 | -68.8 | 179.2 | -164.8 | 109.4 | 7.2 | 111.7 | Q47 E48 A49 S54 R55 | Q47-R51 WeakPolarHBondContact O-CG 3.42Å; Q47-R51 PolarHBondContact O-N 3.4Å; Q47-R51 VanDerWaalsContact O-N 3.11Å; E48-R51 PolarHBondContact O-N 2.83Å; E48-R51 IonicContact OE2-NH1 3.35Å; A49-R51 PolarHBondContact O-N 3.47Å; R51-S54 PolarHBondContact O-N 3.13Å; R51-R55 WeakPolarHBondContact O-CG 3.36Å; R51-R55 PolarHBondContact O-N 3.14Å |
| 52 | T | 92.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.1 | -47.8 | 179.5 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | L14 L18 I34 E48 A49 V50 S54 R55 L56 | L14-T52 HydrophobicContact CB-CG2 4.23Å; L18-T52 HydrophobicContact CB-CG2 4.03Å; L18-T52 HydrophobicContact CD1-CG2 4.45Å; L18-T52 HydrophobicContact CD2-CG2 4.34Å; I34-T52 HydrophobicContact CD1-CG2 4.25Å; I34-T52 HydrophobicContact CG1-CG2 4.49Å; I34-T52 HydrophobicContact CG2-CG2 3.85Å; E48-T52 WeakPolarHBondContact O-CB 3.27Å; E48-T52 PolarHBondContact O-N 3.14Å; E48-T52 PolarHBondContact O-OG1 2.99Å; A49-T52 PolarHBondContact O-N 3.4Å; A49-T52 VanDerWaalsContact O-N 3.16Å; V50-T52 VanDerWaalsContact C-N 3.33Å; V50-T52 PolarHBondContact O-N 3.03Å; T52-S54 VanDerWaalsContact C-N 3.34Å; T52-S54 PolarHBondContact O-N 3.45Å; T52-R55 PolarHBondContact O-N 2.76Å; T52-L56 WeakPolarHBondContact O-CB 3.37Å; T52-L56 PolarHBondContact O-N 3.49Å |
| 53 | C | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.6 | -43.6 | 174.9 | -74.1 | 0 | 0 | 0 | 0 | 112 | A49 V50 R55 L56 F57 | A49-C53 WeakPolarHBondContact O-CB 3.37Å; A49-C53 PolarHBondContact O-N 3.44Å; A49-C53 PolarHBondContact O-SG 3.45Å; A49-C53 VanDerWaalsContact O-SG 3.35Å; V50-C53 PolarHBondContact O-N 2.96Å; C53-R55 VanDerWaalsContact C-N 3.33Å; C53-R55 PolarHBondContact O-N 3.19Å; C53-L56 PolarHBondContact O-N 3.36Å; C53-F57 WeakPolarHBondContact O-CD2 3.46Å; C53-F57 PolarHBondContact O-N 2.98Å |
| 54 | S | 93.8 | Very high | 92 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.1 | -42.6 | 176.8 | -174.7 | 0 | 0 | 0 | 0 | 112 | V50 R51 T52 G58 | V50-S54 WeakPolarHBondContact O-CB 3.36Å; V50-S54 PolarHBondContact O-N 3.37Å; R51-S54 PolarHBondContact O-N 3.13Å; T52-S54 VanDerWaalsContact C-N 3.34Å; T52-S54 PolarHBondContact O-N 3.45Å; S54-G58 WeakPolarHBondContact O-CA 3.49Å; S54-G58 PolarHBondContact O-N 3.14Å |
| 55 | R | 93.6 | Very high | 91.9 | Very high | 128 Ų | 128 | 31.1 Ų | 31.1 | 48% | 0.483 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -68.1 | -45.3 | 175.6 | -71.8 | 172.6 | 63.8 | -166.7 | -3.9 | 112.3 | L18 E19 R51 T52 C53 A59 | L18-R55 HydrophobicContact CD2-CB 4.01Å; E19-R55 IonicContact OE1-NH2 2.69Å; R51-R55 WeakPolarHBondContact O-CG 3.36Å; R51-R55 PolarHBondContact O-N 3.14Å; T52-R55 PolarHBondContact O-N 2.76Å; C53-R55 VanDerWaalsContact C-N 3.33Å; C53-R55 PolarHBondContact O-N 3.19Å; R55-A59 WeakPolarHBondContact O-CB 3.41Å; R55-A59 PolarHBondContact O-N 3.14Å |
| 56 | L | 93 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.9 | -61.4 | -178.7 | 177.6 | 60.9 | 0 | 0 | 0 | 111.5 | L18 V21 L22 V31 I34 T52 C53 G58 A59 L60 | L18-L56 HydrophobicContact CD1-CB 3.53Å; L18-L56 HydrophobicContact CD1-CD1 3.86Å; L18-L56 HydrophobicContact CD1-CG 4.25Å; V21-L56 HydrophobicContact CB-CD1 4.1Å; V21-L56 HydrophobicContact CG1-CD1 3.63Å; L22-L56 HydrophobicContact CD2-CD1 3.95Å; L22-L56 HydrophobicContact CG-CD1 4.14Å; V31-L56 HydrophobicContact CG1-CD2 4.43Å; V31-L56 HydrophobicContact CG2-CD2 4.16Å; I34-L56 HydrophobicContact CD1-CD2 4.11Å; T52-L56 WeakPolarHBondContact O-CB 3.37Å; T52-L56 PolarHBondContact O-N 3.49Å; C53-L56 PolarHBondContact O-N 3.36Å; L56-G58 VanDerWaalsContact C-N 3.29Å; L56-G58 PolarHBondContact O-N 3.18Å; L56-A59 PolarHBondContact O-N 3.21Å; L56-L60 HydrophobicContact CD1-CD1 4.11Å; L56-L60 HydrophobicContact CG-CD1 4.11Å; L56-L60 VanDerWaalsContact O-CG 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.3Å; L56-L60 PolarHBondContact O-N 3.3Å |
| 57 | F | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -72.2 | -27 | -176.1 | -70.5 | -67 | 0 | 0 | 0 | 112.3 | V31 L35 C53 L60 L61 M92 R95 Y96 C99 F125 | V31-F57 HydrophobicContact CG1-CZ 4.11Å; L35-F57 HydrophobicContact CD2-CE2 4.37Å; C53-F57 WeakPolarHBondContact O-CD2 3.46Å; C53-F57 PolarHBondContact O-N 2.98Å; F57-L60 HydrophobicContact CD1-CD1 3.8Å; F57-L60 HydrophobicContact CE1-CD1 4.14Å; F57-L60 PolarHBondContact O-N 3.33Å; F57-L61 WeakPolarHBondContact O-CB 3.44Å; F57-L61 WeakPolarHBondContact O-CG 3.42Å; F57-L61 PolarHBondContact O-N 3.06Å; F57-M92 HydrophobicContact CE1-CE 4.13Å; F57-R95 HydrophobicContact CE1-CB 4.41Å; F57-R95 HydrophobicContact CZ-CB 4.08Å; F57-Y96 HydrophobicContact CB-CD2 3.77Å; F57-Y96 HydrophobicContact CB-CE2 4.23Å; F57-Y96 AromaticContact CD1-CD2 3.82Å; F57-Y96 HydrophobicContact CD1-CD2 3.82Å; F57-Y96 HydrophobicContact CD1-CG 4.22Å; F57-Y96 HydrophobicContact CD2-CD2 4.44Å; F57-Y96 AromaticContact CG-CD2 3.76Å; F57-Y96 HydrophobicContact CG-CD2 3.76Å; F57-C99 HydrophobicContact CD2-CB 4.01Å; F57-C99 HydrophobicContact CE2-CB 3.56Å; F57-C99 HydrophobicContact CZ-CB 4.29Å; F57-F125 HydrophobicContact CB-CE1 3.85Å; F57-F125 HydrophobicContact CB-CZ 3.79Å; F57-F125 HydrophobicContact CD2-CZ 4.28Å; F57-F125 HydrophobicContact CG-CZ 4.48Å |
| 58 | G | 91.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -49.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S54 L56 L60 L61 E62 L128 | S54-G58 WeakPolarHBondContact O-CA 3.49Å; S54-G58 PolarHBondContact O-N 3.14Å; L56-G58 VanDerWaalsContact C-N 3.29Å; L56-G58 PolarHBondContact O-N 3.18Å; G58-L60 VanDerWaalsContact C-N 3.33Å; G58-L60 PolarHBondContact O-N 3.38Å; G58-L61 PolarHBondContact O-N 3.07Å; G58-E62 WeakPolarHBondContact O-CG 3.15Å; G58-E62 PolarHBondContact O-N 2.92Å; G58-E62 VanDerWaalsContact O-N 3.09Å; G58-L128 VanDerWaalsContact CA-CD1 3.41Å |
| 59 | A | 92.2 | Very high | 90.9 | Very high | 17 Ų | 17 | 32.3 Ų | 32.3 | 14% | 0.14 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64 | -36.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L22 R55 L56 R63 | L22-A59 HydrophobicContact CD1-CB 4.18Å; L22-A59 HydrophobicContact CD2-CB 3.77Å; R55-A59 WeakPolarHBondContact O-CB 3.41Å; R55-A59 PolarHBondContact O-N 3.14Å; L56-A59 PolarHBondContact O-N 3.21Å; A59-R63 WeakPolarHBondContact O-CB 3.47Å; A59-R63 WeakPolarHBondContact O-CD 3.25Å; A59-R63 WeakPolarHBondContact O-CG 3.18Å; A59-R63 PolarHBondContact O-N 2.99Å |
| 60 | L | 91.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.3 | -35.5 | 177.7 | -67.5 | 169.1 | 0 | 0 | 0 | 113 | L22 L56 F57 G58 G64 E65 L66 M92 | L22-L60 HydrophobicContact CD2-CD2 4.4Å; L22-L60 HydrophobicContact CD2-CG 4.44Å; L56-L60 HydrophobicContact CD1-CD1 4.11Å; L56-L60 HydrophobicContact CG-CD1 4.11Å; L56-L60 VanDerWaalsContact O-CG 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.3Å; L56-L60 PolarHBondContact O-N 3.3Å; F57-L60 HydrophobicContact CD1-CD1 3.8Å; F57-L60 HydrophobicContact CE1-CD1 4.14Å; F57-L60 PolarHBondContact O-N 3.33Å; G58-L60 VanDerWaalsContact C-N 3.33Å; G58-L60 PolarHBondContact O-N 3.38Å; L60-G64 PolarHBondContact O-N 2.93Å; L60-E65 HydrophobicContact CD2-CB 3.92Å; L60-E65 WeakPolarHBondContact CD2-OE2 3.48Å; L60-E65 PolarHBondContact O-N 3.44Å; L60-L66 HydrophobicContact CB-CD2 4.3Å; L60-L66 HydrophobicContact CB-CG 4.31Å; L60-M92 HydrophobicContact CD1-CE 3.18Å; L60-M92 HydrophobicContact CD2-CE 4.48Å; L60-M92 HydrophobicContact CG-CE 4.45Å |
| 61 | L | 91.2 | Very high | 89.9 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.4 | -49.9 | 173.5 | -80.1 | 164.8 | 0 | 0 | 0 | 110.8 | F57 G58 R63 G64 L66 Y96 L128 L134 | F57-L61 WeakPolarHBondContact O-CB 3.44Å; F57-L61 WeakPolarHBondContact O-CG 3.42Å; F57-L61 PolarHBondContact O-N 3.06Å; G58-L61 PolarHBondContact O-N 3.07Å; L61-R63 VanDerWaalsContact C-N 3.31Å; L61-R63 PolarHBondContact O-N 3.22Å; L61-G64 PolarHBondContact O-N 3.16Å; L61-L66 HydrophobicContact CD2-CD1 3.69Å; L61-L66 HydrophobicContact CG-CD1 3.86Å; L61-Y96 HydrophobicContact CD1-CE2 4.14Å; L61-L128 HydrophobicContact CB-CB 4.33Å; L61-L128 HydrophobicContact CD1-CB 3.78Å; L61-L134 HydrophobicContact CD2-CD1 4.28Å; L61-L134 HydrophobicContact CD2-CD2 3.98Å; L61-L134 HydrophobicContact CD2-CG 4.19Å |
| 62 | E | 91.3 | Very high | 89.3 | Confident | 114 Ų | 114 | 40.1 Ų | 40.1 | 53% | 0.533 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.1 | -39.2 | 178.8 | -71.1 | 172.1 | 175.4 | 0 | 0 | 112.5 | G58 G64 L128 | G58-E62 WeakPolarHBondContact O-CG 3.15Å; G58-E62 PolarHBondContact O-N 2.92Å; G58-E62 VanDerWaalsContact O-N 3.09Å; E62-G64 VanDerWaalsContact C-N 3.26Å; E62-G64 PolarHBondContact O-N 3.45Å; E62-L128 HydrophobicContact CG-CD2 4.16Å |
| 63 | R | 90.5 | Very high | 88.7 | Confident | 137 Ų | 137 | 42.7 Ų | 42.7 | 52% | 0.517 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -6.4 | 176.7 | -66 | 171.4 | -174.6 | -166.3 | 1.8 | 113.6 | L22 A59 L61 E65 | L22-R63 PolarHBondContact O-NH1 2.99Å; A59-R63 WeakPolarHBondContact O-CB 3.47Å; A59-R63 WeakPolarHBondContact O-CD 3.25Å; A59-R63 WeakPolarHBondContact O-CG 3.18Å; A59-R63 PolarHBondContact O-N 2.99Å; L61-R63 VanDerWaalsContact C-N 3.31Å; L61-R63 PolarHBondContact O-N 3.22Å; R63-E65 VanDerWaalsContact C-N 3.28Å; R63-E65 HydrophobicContact CB-CG 3.82Å; R63-E65 PolarHBondContact O-N 3.31Å |
| 64 | G | 86 | Confident | 87.9 | Confident | 38 Ų | 38 | 46 Ų | 46 | 39% | 0.392 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 32.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L60 L61 E62 L66 K89 | L60-G64 PolarHBondContact O-N 2.93Å; L61-G64 PolarHBondContact O-N 3.16Å; E62-G64 VanDerWaalsContact C-N 3.26Å; E62-G64 PolarHBondContact O-N 3.45Å; G64-L66 VanDerWaalsContact C-N 3.35Å; G64-K89 PolarHBondContact O-NZ 2.65Å |
| 65 | E | 87.4 | Confident | 86.7 | Confident | 27 Ų | 27 | 53.1 Ų | 53.1 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | trans | -87.4 | -2.7 | -177.4 | -67.2 | -153.2 | 121.8 | 0 | 0 | 113.9 | R25 L60 R63 K89 | R25-E65 IonicContact CZ-OE1 4Å; R25-E65 IonicContact NE-OE1 2.77Å; R25-E65 PolarHBondContact NE-OE1 3.35Å; R25-E65 IonicContact NH2-OE1 3.17Å; R25-E65 PolarHBondContact NH2-OE1 3.11Å; L60-E65 HydrophobicContact CD2-CB 3.92Å; L60-E65 WeakPolarHBondContact CD2-OE2 3.48Å; L60-E65 PolarHBondContact O-N 3.44Å; R63-E65 VanDerWaalsContact C-N 3.28Å; R63-E65 HydrophobicContact CB-CG 3.82Å; R63-E65 PolarHBondContact O-N 3.31Å; E65-K89 WeakPolarHBondContact O-CG 3.31Å | ||
| 66 | L | 88.3 | Confident | 85.3 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -90.4 | 153.9 | 172.6 | -59 | -176.3 | 0 | 0 | 0 | 111.7 | L60 L61 G64 M92 Y96 L134 | L60-L66 HydrophobicContact CB-CD2 4.3Å; L60-L66 HydrophobicContact CB-CG 4.31Å; L61-L66 HydrophobicContact CD2-CD1 3.69Å; L61-L66 HydrophobicContact CG-CD1 3.86Å; G64-L66 VanDerWaalsContact C-N 3.35Å; L66-M92 HydrophobicContact CD2-CB 3.66Å; L66-Y96 HydrophobicContact CD1-CD1 4.25Å; L66-Y96 HydrophobicContact CD1-CD2 4.47Å; L66-Y96 HydrophobicContact CD1-CG 4.07Å; L66-L134 HydrophobicContact CB-CD2 3.66Å; L66-L134 HydrophobicContact CD1-CD1 4.36Å; L66-L134 HydrophobicContact CD1-CD2 4.24Å |
| 67 | F | 87.4 | Confident | 83.9 | Confident | 26 Ų | 26 | 53.8 Ų | 53.8 | 11% | 0.114 | 28% | 0.278 | C | S | . | . | trans | -71.2 | 134.6 | 179.1 | 176.1 | -100.1 | 0 | 0 | 0 | 111.4 | Q70 L71 R86 K89 V90 R93 | F67-Q70 WeakPolarHBondContact CE1-O 3.49Å; F67-L71 HydrophobicContact CD1-CD1 4.46Å; F67-R86 HydrophobicContact CE2-CG 4.48Å; F67-K89 HydrophobicContact CB-CB 3.99Å; F67-K89 WeakPolarHBondContact CB-O 3.48Å; F67-K89 PolarHBondContact N-O 3.42Å; F67-K89 VanDerWaalsContact N-O 3.14Å; F67-V90 HydrophobicContact CB-CG2 3.94Å; F67-V90 HydrophobicContact CD1-CG2 4.13Å; F67-V90 HydrophobicContact CD2-CG2 3.6Å; F67-V90 HydrophobicContact CE2-CG2 4.14Å; F67-V90 HydrophobicContact CG-CG2 3.61Å; F67-R93 HydrophobicContact CB-CB 4.37Å; F67-R93 WeakPolarHBondContact O-CD 3.39Å; F67-R93 PolarHBondContact O-NH1 3.45Å | ||
| 68 | V | 86.8 | Confident | 82.3 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 38% | 0.376 | 31% | 0.309 | S | S | . | . | trans | -107.2 | 130.8 | 177.5 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | L134 K136 | V68-L134 CarbonylContact C-O 3.38Å; V68-L134 WeakPolarHBondContact CA-O 3.21Å; V68-K136 HydrophobicContact CG1-CG 3.97Å | ||
| 69 | G | 83.8 | Confident | 80.6 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 16% | 0.155 | 34% | 0.344 | C | S | . | . | S | Bend | trans | 121.3 | -169.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L71 R93 L134 | G69-L71 PolarHBondContact O-N 3.22Å; G69-R93 PolarHBondContact O-NH1 3.37Å; G69-R93 PolarHBondContact O-NH2 2.96Å; G69-L134 PolarHBondContact N-O 2.91Å |
| 70 | Q | 82.4 | Confident | 79 | Confident | 187 Ų | 187 | 66.1 Ų | 66.1 | 87% | 0.874 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -67.8 | 121.7 | 176.6 | -170.6 | 174.6 | 10.2 | 0 | 0 | 110 | F67 P72 | F67-Q70 WeakPolarHBondContact CE1-O 3.49Å; Q70-P72 WeakPolarHBondContact O-CD 3.48Å |
| 71 | L | 82.7 | Confident | 77 | Confident | 42 Ų | 42 | 72.5 Ų | 72.5 | 22% | 0.22 | 39% | 0.394 | C | S | . | . | trans | -67.4 | 113.2 | -174.5 | -175.4 | 61.9 | 0 | 0 | 0 | 110.4 | F67 G69 V90 R93 H94 H97 | F67-L71 HydrophobicContact CD1-CD1 4.46Å; G69-L71 PolarHBondContact O-N 3.22Å; L71-V90 HydrophobicContact CD1-CG1 4.2Å; L71-R93 HydrophobicContact CD1-CB 4.04Å; L71-R93 HydrophobicContact CD1-CG 3.82Å; L71-R93 HydrophobicContact CD2-CG 4.27Å; L71-H94 VanDerWaalsContact CD2-CE1 3.49Å; L71-H94 WeakPolarHBondContact CD2-CE1 2.71Å; L71-H97 VanDerWaalsContact CD2-CE1 3.48Å; L71-H97 WeakPolarHBondContact CD2-CE1 3.48Å; L71-H97 WeakPolarHBondContact CD2-ND1 3.35Å | ||
| 72 | P | 81.7 | Confident | 75.6 | Confident | 26 Ų | 26 | 77.8 Ų | 77.8 | 17% | 0.169 | 41% | 0.414 | C | S | . | . | trans | -72.3 | 155.9 | 174 | 31.1 | -36.9 | 0 | 0 | 0 | 111.5 | Q70 V77 V90 H94 | Q70-P72 WeakPolarHBondContact O-CD 3.48Å; P72-V77 HydrophobicContact CB-CG2 3.63Å; P72-V77 HydrophobicContact CG-CG2 3.33Å; P72-V90 HydrophobicContact CG-CG1 4Å; P72-V90 HydrophobicContact CG-CG2 4.06Å; P72-H94 PolarHBondContact O-NE2 2.89Å | ||
| 73 | S | 80.5 | Confident | 74.9 | Confident | 55 Ų | 55 | 74.8 Ų | 74.8 | 39% | 0.385 | 41% | 0.414 | S | S | . | . | trans | -61.4 | 147.1 | 173.3 | 64.7 | 0 | 0 | 0 | 0 | 111.2 | E75 M76 V77 | S73-E75 VanDerWaalsContact C-N 3.27Å; S73-E75 PolarHBondContact O-N 3.31Å; S73-M76 PolarHBondContact O-N 2.88Å; S73-M76 WeakPolarHBondContact OG-CB 3.44Å; S73-M76 WeakPolarHBondContact OG-CG 3.33Å; S73-M76 PolarHBondContact OG-N 2.95Å; S73-V77 PolarHBondContact O-N 2.87Å | ||
| 74 | E | 76.5 | Confident | 74.4 | Confident | 70 Ų | 70 | 72.2 Ų | 72.2 | 33% | 0.327 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58.7 | -40.9 | -179.6 | -68.6 | -167.9 | 156.5 | 0 | 0 | 111.3 | M76 V77 M78 H94 R95 | E74-M76 PolarHBondContact O-N 3.36Å; E74-V77 PolarHBondContact O-N 2.98Å; E74-M78 VanDerWaalsContact O-CG 3.3Å; E74-M78 WeakPolarHBondContact O-CG 3.43Å; E74-M78 PolarHBondContact O-N 3.35Å; E74-M78 VanDerWaalsContact O-N 3.1Å; E74-H94 HydrophobicContact CG-CB 4.39Å; E74-H94 WeakPolarHBondContact CG-CD2 3.36Å; E74-H94 WeakPolarHBondContact CG-NE2 3.4Å; E74-H94 WeakPolarHBondContact OE1-CB 3.49Å; E74-H94 IonicContact OE1-CD2 3.64Å; E74-H94 IonicContact OE1-CG 3.69Å; E74-H94 VanDerWaalsContact OE1-CG 3.22Å; E74-R95 IonicContact OE1-CZ 2.7Å; E74-R95 IonicContact OE1-NE 2.8Å; E74-R95 IonicContact OE1-NH2 3.11Å; E74-R95 PolarHBondContact OE1-NH2 3.01Å; E74-R95 IonicContact OE2-NH2 3.99Å; E74-R95 PolarHBondContact OE2-NH2 3.33Å |
| 75 | E | 69.3 | Low | 74.2 | Confident | 163 Ų | 163 | 73 Ų | 73 | 76% | 0.762 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -61.5 | -41.7 | 180 | -62.4 | 176.5 | 168.9 | 0 | 0 | 113.2 | S73 V77 T79 | S73-E75 VanDerWaalsContact C-N 3.27Å; S73-E75 PolarHBondContact O-N 3.31Å; E75-V77 VanDerWaalsContact C-N 3.32Å; E75-V77 PolarHBondContact O-N 2.89Å; E75-T79 WeakPolarHBondContact O-CG2 3.34Å; E75-T79 PolarHBondContact O-N 3.35Å; E75-T79 PolarHBondContact O-OG1 3.16Å |
| 76 | M | 64.9 | Low | 74 | Confident | 137 Ų | 137 | 76.4 Ų | 76.4 | 68% | 0.675 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -69.9 | -26.4 | 178.6 | -81.7 | 179 | 79.3 | 0 | 0 | 113.3 | S73 E74 T79 | S73-M76 PolarHBondContact O-N 2.88Å; S73-M76 WeakPolarHBondContact OG-CB 3.44Å; S73-M76 WeakPolarHBondContact OG-CG 3.33Å; S73-M76 PolarHBondContact OG-N 2.95Å; E74-M76 PolarHBondContact O-N 3.36Å; M76-T79 PolarHBondContact O-OG1 3.46Å |
| 77 | V | 63 | Low | 73.8 | Confident | 4 Ų | 4 | 79.1 Ų | 79.1 | 2% | 0.024 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -88.2 | -31.1 | -178 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | P72 S73 E74 E75 K87 V90 | P72-V77 HydrophobicContact CB-CG2 3.63Å; P72-V77 HydrophobicContact CG-CG2 3.33Å; S73-V77 PolarHBondContact O-N 2.87Å; E74-V77 PolarHBondContact O-N 2.98Å; E75-V77 VanDerWaalsContact C-N 3.32Å; E75-V77 PolarHBondContact O-N 2.89Å; V77-K87 HydrophobicContact CG1-CB 4.36Å; V77-K87 HydrophobicContact CG1-CG 3.99Å; V77-K87 VanDerWaalsContact O-CE 3.23Å; V77-K87 WeakPolarHBondContact O-CE 3.33Å; V77-V90 HydrophobicContact CB-CG1 4.35Å; V77-V90 HydrophobicContact CG1-CB 4.27Å; V77-V90 HydrophobicContact CG1-CG1 4.26Å; V77-V90 HydrophobicContact CG1-CG2 4.39Å; V77-V90 HydrophobicContact CG2-CG1 4.05Å |
| 78 | M | 60.5 | Low | 73.8 | Confident | 129 Ų | 129 | 79 Ų | 79 | 64% | 0.635 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -69.8 | -34.6 | 176.7 | -66.3 | -60.9 | -98 | 0 | 0 | 111.8 | E74 K87 | E74-M78 VanDerWaalsContact O-CG 3.3Å; E74-M78 WeakPolarHBondContact O-CG 3.43Å; E74-M78 PolarHBondContact O-N 3.35Å; E74-M78 VanDerWaalsContact O-N 3.1Å; M78-K87 PolarHBondContact O-NZ 3.41Å |
| 79 | T | 55.5 | Low | 73.9 | Confident | 123 Ų | 123 | 79.3 Ų | 79.3 | 76% | 0.755 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -82.7 | -22.6 | -178.8 | 50.6 | 0 | 0 | 0 | 0 | 115.1 | E75 M76 | E75-T79 WeakPolarHBondContact O-CG2 3.34Å; E75-T79 PolarHBondContact O-N 3.35Å; E75-T79 PolarHBondContact O-OG1 3.16Å; M76-T79 PolarHBondContact O-OG1 3.46Å |
| 80 | G | 57.7 | Low | 74.1 | Confident | 26 Ų | 26 | 78.7 Ų | 78.7 | 27% | 0.268 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -82.5 | 153.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | R82 K87 | G80-R82 PolarHBondContact O-N 3.27Å; G80-K87 VanDerWaalsContact O-CE 3.29Å; G80-K87 WeakPolarHBondContact O-CE 3.44Å; G80-K87 PolarHBondContact O-NZ 3.05Å; G80-K87 VanDerWaalsContact O-NZ 3.08Å |
| 81 | S | 50 | Low | 74.5 | Confident | 134 Ų | 134 | 72 Ų | 72 | 94% | 0.937 | 40% | 0.403 | S | S | * | . | trans | -74 | 35.9 | 174.6 | 76.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 82 | R | 62 | Low | 74.8 | Confident | 114 Ų | 114 | 70 Ų | 70 | 43% | 0.43 | 39% | 0.393 | S | S | . | . | trans | -87.9 | 142.3 | 179.8 | -69.1 | 176.6 | 175.5 | -178.8 | 1.8 | 110 | G80 K87 | G80-R82 PolarHBondContact O-N 3.27Å; R82-K87 VanDerWaalsContact O-CE 3.25Å; R82-K87 WeakPolarHBondContact O-CE 3.21Å | ||
| 83 | G | 76.8 | Confident | 75.2 | Confident | 52 Ų | 52 | 69.3 Ų | 69.3 | 54% | 0.536 | 39% | 0.387 | S | S | . | . | trans | -56.9 | 146.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A85 R86 K87 | G83-A85 VanDerWaalsContact C-N 3.27Å; G83-A85 PolarHBondContact O-N 3.28Å; G83-A85 VanDerWaalsContact O-N 3.16Å; G83-R86 WeakPolarHBondContact O-CB 3.48Å; G83-R86 PolarHBondContact O-N 3.1Å; G83-K87 PolarHBondContact O-N 3.41Å | ||
| 84 | A | 79.8 | Confident | 75.7 | Confident | 83 Ų | 83 | 68.5 Ų | 68.5 | 69% | 0.686 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -52.4 | -39 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | R86 K87 Y88 | A84-R86 VanDerWaalsContact C-N 3.32Å; A84-R86 PolarHBondContact O-N 2.95Å; A84-K87 PolarHBondContact O-N 3.19Å; A84-Y88 PolarHBondContact O-N 3.27Å |
| 85 | A | 81.8 | Confident | 76.5 | Confident | 53 Ų | 53 | 66.8 Ų | 66.8 | 44% | 0.438 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.9 | -38.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G83 Y88 K89 | G83-A85 VanDerWaalsContact C-N 3.27Å; G83-A85 PolarHBondContact O-N 3.28Å; G83-A85 VanDerWaalsContact O-N 3.16Å; A85-Y88 PolarHBondContact O-N 3.49Å; A85-K89 WeakPolarHBondContact O-CG 3.46Å; A85-K89 PolarHBondContact O-N 3.47Å |
| 86 | R | 83.6 | Confident | 77.6 | Confident | 100 Ų | 100 | 59.2 Ų | 59.2 | 38% | 0.377 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.9 | -39.9 | 177.2 | -176.3 | 176.7 | 178.6 | 174.2 | 6 | 111.4 | F67 G83 A84 Y88 K89 V90 | F67-R86 HydrophobicContact CE2-CG 4.48Å; G83-R86 WeakPolarHBondContact O-CB 3.48Å; G83-R86 PolarHBondContact O-N 3.1Å; A84-R86 VanDerWaalsContact C-N 3.32Å; A84-R86 PolarHBondContact O-N 2.95Å; R86-Y88 VanDerWaalsContact C-N 3.34Å; R86-K89 PolarHBondContact O-N 2.93Å; R86-V90 WeakPolarHBondContact O-CG2 3.4Å; R86-V90 PolarHBondContact O-N 3.05Å |
| 87 | K | 84 | Confident | 78.9 | Confident | 60 Ų | 60 | 56 Ų | 56 | 26% | 0.261 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 175.9 | -63.1 | -166.4 | 178.5 | -168.9 | 0 | 110.6 | V77 M78 G80 R82 G83 A84 V90 W91 | V77-K87 HydrophobicContact CG1-CB 4.36Å; V77-K87 HydrophobicContact CG1-CG 3.99Å; V77-K87 VanDerWaalsContact O-CE 3.23Å; V77-K87 WeakPolarHBondContact O-CE 3.33Å; M78-K87 PolarHBondContact O-NZ 3.41Å; G80-K87 VanDerWaalsContact O-CE 3.29Å; G80-K87 WeakPolarHBondContact O-CE 3.44Å; G80-K87 PolarHBondContact O-NZ 3.05Å; G80-K87 VanDerWaalsContact O-NZ 3.08Å; R82-K87 VanDerWaalsContact O-CE 3.25Å; R82-K87 WeakPolarHBondContact O-CE 3.21Å; G83-K87 PolarHBondContact O-N 3.41Å; A84-K87 PolarHBondContact O-N 3.19Å; K87-V90 PolarHBondContact O-N 3.5Å; K87-W91 WeakPolarHBondContact O-CB 3.42Å; K87-W91 PolarHBondContact O-N 2.87Å |
| 88 | Y | 87.4 | Confident | 80.4 | Confident | 24 Ų | 24 | 58.3 Ų | 58.3 | 9% | 0.094 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.1 | -52.1 | 174.4 | 172.4 | -97.4 | 0 | 0 | 0 | 112.6 | R25 A28 A84 A85 R86 V90 W91 M92 | R25-Y88 HydrophobicContact CB-CD2 4.37Å; R25-Y88 HydrophobicContact CB-CE2 4.15Å; R25-Y88 HydrophobicContact CG-CE1 4.1Å; R25-Y88 HydrophobicContact CG-CE2 4.17Å; A28-Y88 HydrophobicContact CB-CD2 4.18Å; A28-Y88 HydrophobicContact CB-CE2 3.66Å; A84-Y88 PolarHBondContact O-N 3.27Å; A85-Y88 PolarHBondContact O-N 3.49Å; R86-Y88 VanDerWaalsContact C-N 3.34Å; Y88-V90 VanDerWaalsContact C-N 3.31Å; Y88-V90 PolarHBondContact O-N 3.12Å; Y88-W91 PolarHBondContact O-N 3.47Å; Y88-M92 HydrophobicContact CD1-CG 4.38Å; Y88-M92 HydrophobicContact CD2-CG 4.14Å; Y88-M92 HydrophobicContact CE1-CG 3.95Å; Y88-M92 HydrophobicContact CE2-CG 3.67Å; Y88-M92 HydrophobicContact CE2-SD 4.15Å; Y88-M92 HydrophobicContact CG-CG 4.48Å; Y88-M92 WeakPolarHBondContact O-CG 3.49Å; Y88-M92 PolarHBondContact O-N 3.34Å |
| 89 | K | 87.9 | Confident | 81.9 | Confident | 69 Ų | 69 | 52.2 Ų | 52.2 | 30% | 0.3 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61 | -38.2 | -178.7 | -65.6 | -151.1 | 179.6 | -170.8 | 0 | 113.1 | G64 E65 F67 A85 R86 R93 | G64-K89 PolarHBondContact O-NZ 2.65Å; E65-K89 WeakPolarHBondContact O-CG 3.31Å; F67-K89 HydrophobicContact CB-CB 3.99Å; F67-K89 WeakPolarHBondContact CB-O 3.48Å; F67-K89 PolarHBondContact N-O 3.42Å; F67-K89 VanDerWaalsContact N-O 3.14Å; A85-K89 WeakPolarHBondContact O-CG 3.46Å; A85-K89 PolarHBondContact O-N 3.47Å; R86-K89 PolarHBondContact O-N 2.93Å; K89-R93 PolarHBondContact O-N 3.46Å |
| 90 | V | 88.1 | Confident | 83.8 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67 | -47.1 | 176.7 | 168.6 | 0 | 0 | 0 | 0 | 110.1 | F67 L71 P72 V77 R86 K87 Y88 R93 H94 | F67-V90 HydrophobicContact CB-CG2 3.94Å; F67-V90 HydrophobicContact CD1-CG2 4.13Å; F67-V90 HydrophobicContact CD2-CG2 3.6Å; F67-V90 HydrophobicContact CE2-CG2 4.14Å; F67-V90 HydrophobicContact CG-CG2 3.61Å; L71-V90 HydrophobicContact CD1-CG1 4.2Å; P72-V90 HydrophobicContact CG-CG1 4Å; P72-V90 HydrophobicContact CG-CG2 4.06Å; V77-V90 HydrophobicContact CB-CG1 4.35Å; V77-V90 HydrophobicContact CG1-CB 4.27Å; V77-V90 HydrophobicContact CG1-CG1 4.26Å; V77-V90 HydrophobicContact CG1-CG2 4.39Å; V77-V90 HydrophobicContact CG2-CG1 4.05Å; R86-V90 WeakPolarHBondContact O-CG2 3.4Å; R86-V90 PolarHBondContact O-N 3.05Å; K87-V90 PolarHBondContact O-N 3.5Å; Y88-V90 VanDerWaalsContact C-N 3.31Å; Y88-V90 PolarHBondContact O-N 3.12Å; V90-R93 WeakPolarHBondContact O-CB 3.33Å; V90-R93 PolarHBondContact O-N 3.35Å; V90-R93 VanDerWaalsContact O-N 3.14Å; V90-H94 PolarHBondContact O-CD2 2.9Å; V90-H94 PolarHBondContact O-N 3.26Å; V90-H94 VanDerWaalsContact O-N 3.13Å |
| 91 | W | 90 | Very high | 85.5 | Confident | 46 Ų | 46 | 49 Ų | 49 | 17% | 0.174 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 179.6 | -177.5 | 80.6 | 0 | 0 | 0 | 111.9 | A28 V31 F32 K87 Y88 R93 H94 R95 | A28-W91 HydrophobicContact CB-CE3 4.46Å; A28-W91 HydrophobicContact CB-CH2 4.45Å; A28-W91 HydrophobicContact CB-CZ3 3.77Å; A28-W91 VanDerWaalsContact O-CH2 3.24Å; A28-W91 WeakPolarHBondContact O-CH2 3.49Å; A28-W91 WeakPolarHBondContact O-CZ3 3.3Å; V31-W91 HydrophobicContact CB-CH2 4.35Å; F32-W91 HydrophobicContact CD2-CH2 4.44Å; F32-W91 HydrophobicContact CD2-CZ2 4.02Å; F32-W91 HydrophobicContact CE2-CH2 4.31Å; F32-W91 AromaticContact CE2-CZ2 3.47Å; F32-W91 HydrophobicContact CE2-CZ2 3.47Å; F32-W91 VanDerWaalsContact CE2-CZ2 3.47Å; F32-W91 HydrophobicContact CZ-CZ2 4.08Å; K87-W91 WeakPolarHBondContact O-CB 3.42Å; K87-W91 PolarHBondContact O-N 2.87Å; Y88-W91 PolarHBondContact O-N 3.47Å; W91-R93 VanDerWaalsContact C-N 3.25Å; W91-R93 PolarHBondContact O-N 2.8Å; W91-H94 PolarHBondContact O-N 3.46Å; W91-H94 VanDerWaalsContact O-N 3.14Å; W91-R95 HydrophobicContact CD2-CG 4.28Å; W91-R95 HydrophobicContact CE3-CG 4.32Å; W91-R95 HydrophobicContact CH2-CG 3.99Å; W91-R95 HydrophobicContact CZ2-CG 3.94Å; W91-R95 HydrophobicContact CZ3-CG 4.18Å; W91-R95 PolarHBondContact O-N 2.97Å; W91-R95 VanDerWaalsContact O-N 3.1Å |
| 92 | M | 89.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.7 | -33.5 | 175.2 | -73.1 | -55.1 | -67.9 | 0 | 0 | 112.8 | V31 F57 L60 L66 Y88 R95 Y96 | V31-M92 HydrophobicContact CG2-CE 3.83Å; V31-M92 HydrophobicContact CG2-SD 4.09Å; F57-M92 HydrophobicContact CE1-CE 4.13Å; L60-M92 HydrophobicContact CD1-CE 3.18Å; L60-M92 HydrophobicContact CD2-CE 4.48Å; L60-M92 HydrophobicContact CG-CE 4.45Å; L66-M92 HydrophobicContact CD2-CB 3.66Å; Y88-M92 HydrophobicContact CD1-CG 4.38Å; Y88-M92 HydrophobicContact CD2-CG 4.14Å; Y88-M92 HydrophobicContact CE1-CG 3.95Å; Y88-M92 HydrophobicContact CE2-CG 3.67Å; Y88-M92 HydrophobicContact CE2-SD 4.15Å; Y88-M92 HydrophobicContact CG-CG 4.48Å; Y88-M92 WeakPolarHBondContact O-CG 3.49Å; Y88-M92 PolarHBondContact O-N 3.34Å; M92-R95 PolarHBondContact O-N 2.79Å; M92-Y96 PolarHBondContact O-N 3.22Å |
| 93 | R | 90.8 | Very high | 89.1 | Confident | 12 Ų | 12 | 40.3 Ų | 40.3 | 5% | 0.045 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.7 | -37.3 | 175.8 | -178.4 | 161.4 | 174.7 | -171.5 | 0.5 | 112.8 | F67 G69 L71 K89 V90 W91 R95 Y96 H97 L134 | F67-R93 HydrophobicContact CB-CB 4.37Å; F67-R93 WeakPolarHBondContact O-CD 3.39Å; F67-R93 PolarHBondContact O-NH1 3.45Å; G69-R93 PolarHBondContact O-NH1 3.37Å; G69-R93 PolarHBondContact O-NH2 2.96Å; L71-R93 HydrophobicContact CD1-CB 4.04Å; L71-R93 HydrophobicContact CD1-CG 3.82Å; L71-R93 HydrophobicContact CD2-CG 4.27Å; K89-R93 PolarHBondContact O-N 3.46Å; V90-R93 WeakPolarHBondContact O-CB 3.33Å; V90-R93 PolarHBondContact O-N 3.35Å; V90-R93 VanDerWaalsContact O-N 3.14Å; W91-R93 VanDerWaalsContact C-N 3.25Å; W91-R93 PolarHBondContact O-N 2.8Å; R93-R95 VanDerWaalsContact C-N 3.33Å; R93-Y96 WeakPolarHBondContact O-CB 3.16Å; R93-Y96 PolarHBondContact O-N 3.16Å; R93-H97 PolarHBondContact O-N 2.85Å; R93-L134 PolarHBondContact NH1-O 2.85Å |
| 94 | H | 91.1 | Very high | 89.9 | Confident | 37 Ų | 37 | 38.5 Ų | 38.5 | 17% | 0.171 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.1 | -39.3 | 171.9 | -79.4 | -70.9 | 0 | 0 | 0 | 112 | L71 P72 E74 V90 W91 H97 S98 | L71-H94 VanDerWaalsContact CD2-CE1 3.49Å; L71-H94 WeakPolarHBondContact CD2-CE1 2.71Å; P72-H94 PolarHBondContact O-NE2 2.89Å; E74-H94 HydrophobicContact CG-CB 4.39Å; E74-H94 WeakPolarHBondContact CG-CD2 3.36Å; E74-H94 WeakPolarHBondContact CG-NE2 3.4Å; E74-H94 WeakPolarHBondContact OE1-CB 3.49Å; E74-H94 IonicContact OE1-CD2 3.64Å; E74-H94 IonicContact OE1-CG 3.69Å; E74-H94 VanDerWaalsContact OE1-CG 3.22Å; V90-H94 PolarHBondContact O-CD2 2.9Å; V90-H94 PolarHBondContact O-N 3.26Å; V90-H94 VanDerWaalsContact O-N 3.13Å; W91-H94 PolarHBondContact O-N 3.46Å; W91-H94 VanDerWaalsContact O-N 3.14Å; H94-H97 PolarHBondContact O-N 3.37Å; H94-S98 WeakPolarHBondContact O-CB 3.38Å; H94-S98 PolarHBondContact O-N 3.42Å; H94-S98 PolarHBondContact O-OG 3.16Å |
| 95 | R | 92.6 | Very high | 90.6 | Very high | 35 Ų | 35 | 40 Ų | 40 | 13% | 0.132 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.7 | -38.2 | 174.2 | -59.6 | -50.8 | 97 | 169 | 4.2 | 112.1 | V31 L35 F57 E74 W91 M92 R93 S98 C99 | V31-R95 HydrophobicContact CG1-CB 3.97Å; V31-R95 HydrophobicContact CG1-CG 4.18Å; L35-R95 HydrophobicContact CD1-CB 4.3Å; F57-R95 HydrophobicContact CE1-CB 4.41Å; F57-R95 HydrophobicContact CZ-CB 4.08Å; E74-R95 IonicContact OE1-CZ 2.7Å; E74-R95 IonicContact OE1-NE 2.8Å; E74-R95 IonicContact OE1-NH2 3.11Å; E74-R95 PolarHBondContact OE1-NH2 3.01Å; E74-R95 IonicContact OE2-NH2 3.99Å; E74-R95 PolarHBondContact OE2-NH2 3.33Å; W91-R95 HydrophobicContact CD2-CG 4.28Å; W91-R95 HydrophobicContact CE3-CG 4.32Å; W91-R95 HydrophobicContact CH2-CG 3.99Å; W91-R95 HydrophobicContact CZ2-CG 3.94Å; W91-R95 HydrophobicContact CZ3-CG 4.18Å; W91-R95 PolarHBondContact O-N 2.97Å; W91-R95 VanDerWaalsContact O-N 3.1Å; M92-R95 PolarHBondContact O-N 2.79Å; R93-R95 VanDerWaalsContact C-N 3.33Å; R95-S98 WeakPolarHBondContact O-CB 3.49Å; R95-S98 PolarHBondContact O-N 2.97Å; R95-C99 WeakPolarHBondContact O-CB 3.34Å; R95-C99 PolarHBondContact O-N 3.38Å |
| 96 | Y | 93 | Very high | 91.2 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.8 | -46.9 | 172.4 | 171.4 | -111.1 | 0 | 0 | 0 | 112.1 | F57 L61 L66 M92 R93 S98 C99 G100 F125 E129 L134 | F57-Y96 HydrophobicContact CB-CD2 3.77Å; F57-Y96 HydrophobicContact CB-CE2 4.23Å; F57-Y96 AromaticContact CD1-CD2 3.82Å; F57-Y96 HydrophobicContact CD1-CD2 3.82Å; F57-Y96 HydrophobicContact CD1-CG 4.22Å; F57-Y96 HydrophobicContact CD2-CD2 4.44Å; F57-Y96 AromaticContact CG-CD2 3.76Å; F57-Y96 HydrophobicContact CG-CD2 3.76Å; L61-Y96 HydrophobicContact CD1-CE2 4.14Å; L66-Y96 HydrophobicContact CD1-CD1 4.25Å; L66-Y96 HydrophobicContact CD1-CD2 4.47Å; L66-Y96 HydrophobicContact CD1-CG 4.07Å; M92-Y96 PolarHBondContact O-N 3.22Å; R93-Y96 WeakPolarHBondContact O-CB 3.16Å; R93-Y96 PolarHBondContact O-N 3.16Å; Y96-S98 VanDerWaalsContact C-N 3.33Å; Y96-S98 PolarHBondContact O-N 2.76Å; Y96-C99 WeakPolarHBondContact O-CB 3.28Å; Y96-C99 PolarHBondContact O-N 3.07Å; Y96-G100 PolarHBondContact O-N 3.29Å; Y96-F125 HydrophobicContact CE2-CB 4.37Å; Y96-F125 HydrophobicContact CE2-CD1 4.33Å; Y96-F125 AromaticContact CE2-CD2 3.8Å; Y96-F125 HydrophobicContact CE2-CD2 3.8Å; Y96-F125 HydrophobicContact CE2-CE2 4.08Å; Y96-F125 AromaticContact CE2-CG 3.94Å; Y96-F125 HydrophobicContact CE2-CG 3.94Å; Y96-F125 HydrophobicContact CE2-CZ 4.46Å; Y96-E129 WeakPolarHBondContact CE1-OE2 3.39Å; Y96-E129 PolarHBondContact OH-OE2 3.47Å; Y96-L134 HydrophobicContact CD1-CD1 4.02Å; Y96-L134 HydrophobicContact CE1-CD1 3.73Å |
| 97 | H | 92.3 | Very high | 91.7 | Very high | 71 Ų | 71 | 33 Ų | 33 | 33% | 0.329 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61.2 | -41.5 | 174.4 | -75 | -168.8 | 0 | 0 | 0 | 112 | L71 R93 H94 C99 G100 N101 | L71-H97 VanDerWaalsContact CD2-CE1 3.48Å; L71-H97 WeakPolarHBondContact CD2-CE1 3.48Å; L71-H97 WeakPolarHBondContact CD2-ND1 3.35Å; R93-H97 PolarHBondContact O-N 2.85Å; H94-H97 PolarHBondContact O-N 3.37Å; H97-C99 VanDerWaalsContact C-N 3.31Å; H97-C99 PolarHBondContact O-N 3.04Å; H97-G100 PolarHBondContact O-N 3.11Å; H97-N101 PolarHBondContact O-N 2.89Å |
| 98 | S | 92.6 | Very high | 92 | Very high | 52 Ų | 52 | 31.8 Ų | 31.8 | 36% | 0.364 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 176.2 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | H94 R95 Y96 R102 | H94-S98 WeakPolarHBondContact O-CB 3.38Å; H94-S98 PolarHBondContact O-N 3.42Å; H94-S98 PolarHBondContact O-OG 3.16Å; R95-S98 WeakPolarHBondContact O-CB 3.49Å; R95-S98 PolarHBondContact O-N 2.97Å; Y96-S98 VanDerWaalsContact C-N 3.33Å; Y96-S98 PolarHBondContact O-N 2.76Å; S98-R102 WeakPolarHBondContact O-CB 3.46Å; S98-R102 PolarHBondContact O-N 3.45Å |
| 99 | C | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.5 | -46.4 | 173.3 | -171.2 | 0 | 0 | 0 | 0 | 111.9 | L35 F57 R95 Y96 H97 R102 L103 | L35-C99 HydrophobicContact CD2-CB 3.71Å; F57-C99 HydrophobicContact CD2-CB 4.01Å; F57-C99 HydrophobicContact CE2-CB 3.56Å; F57-C99 HydrophobicContact CZ-CB 4.29Å; R95-C99 WeakPolarHBondContact O-CB 3.34Å; R95-C99 PolarHBondContact O-N 3.38Å; Y96-C99 WeakPolarHBondContact O-CB 3.28Å; Y96-C99 PolarHBondContact O-N 3.07Å; H97-C99 VanDerWaalsContact C-N 3.31Å; H97-C99 PolarHBondContact O-N 3.04Å; C99-R102 PolarHBondContact O-N 3.4Å; C99-L103 WeakPolarHBondContact O-CB 3.5Å; C99-L103 VanDerWaalsContact O-CG 3.3Å; C99-L103 WeakPolarHBondContact O-CG 3.38Å; C99-L103 PolarHBondContact O-N 3.48Å |
| 100 | G | 93.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.2 | -45.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y96 H97 R102 L103 G104 | Y96-G100 PolarHBondContact O-N 3.29Å; H97-G100 PolarHBondContact O-N 3.11Å; G100-R102 PolarHBondContact O-N 3.08Å; G100-L103 PolarHBondContact O-N 2.94Å; G100-G104 PolarHBondContact O-N 3.07Å |
| 101 | N | 94.3 | Very high | 92.6 | Very high | 79 Ų | 79 | 35.5 Ų | 35.5 | 42% | 0.422 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.5 | -45.4 | 174.9 | -70.3 | -15.5 | 0 | 0 | 0 | 111.3 | H97 L103 G104 E105 L152 | H97-N101 PolarHBondContact O-N 2.89Å; N101-L103 PolarHBondContact O-N 3.43Å; N101-G104 WeakPolarHBondContact O-CA 3.35Å; N101-G104 PolarHBondContact O-N 3.29Å; N101-G104 VanDerWaalsContact O-N 3.1Å; N101-E105 PolarHBondContact O-N 3.3Å; N101-L152 WeakPolarHBondContact OD1-CD1 3.34Å |
| 102 | R | 93.4 | Very high | 92.8 | Very high | 67 Ų | 67 | 36.6 Ų | 36.6 | 25% | 0.253 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.8 | -40.1 | 179.9 | -171.8 | 56.6 | 178.8 | -175 | 5 | 112.8 | L38 S98 C99 G100 G104 E105 L106 | L38-R102 HydrophobicContact CB-CG 3.74Å; L38-R102 HydrophobicContact CD1-CB 4.27Å; L38-R102 HydrophobicContact CD1-CG 3.95Å; L38-R102 HydrophobicContact CG-CG 4.49Å; L38-R102 PolarHBondContact O-NE 3.46Å; L38-R102 VanDerWaalsContact O-NE 3.12Å; L38-R102 PolarHBondContact O-NH2 2.84Å; S98-R102 WeakPolarHBondContact O-CB 3.46Å; S98-R102 PolarHBondContact O-N 3.45Å; C99-R102 PolarHBondContact O-N 3.4Å; G100-R102 PolarHBondContact O-N 3.08Å; R102-G104 VanDerWaalsContact C-N 3.27Å; R102-G104 PolarHBondContact O-N 2.99Å; R102-E105 WeakPolarHBondContact CD-OE2 3.4Å; R102-E105 IonicContact CZ-OE2 3.02Å; R102-E105 IonicContact NE-OE2 2.73Å; R102-E105 IonicContact NH1-OE2 3.97Å; R102-E105 PolarHBondContact NH1-OE2 2.73Å; R102-E105 WeakPolarHBondContact O-CB 3.1Å; R102-E105 PolarHBondContact O-N 3.32Å; R102-L106 WeakPolarHBondContact O-CG 3.42Å; R102-L106 PolarHBondContact O-N 2.94Å |
| 103 | L | 94.5 | Very high | 93 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.1 | -36.1 | 171.9 | -70 | 173.9 | 0 | 0 | 0 | 111.5 | V50 C99 G100 N101 L106 L107 A118 A121 L122 F125 | V50-L103 HydrophobicContact CB-CD2 4.28Å; V50-L103 HydrophobicContact CG1-CD2 3.88Å; V50-L103 HydrophobicContact CG2-CD2 3.76Å; C99-L103 WeakPolarHBondContact O-CB 3.5Å; C99-L103 VanDerWaalsContact O-CG 3.3Å; C99-L103 WeakPolarHBondContact O-CG 3.38Å; C99-L103 PolarHBondContact O-N 3.48Å; G100-L103 PolarHBondContact O-N 2.94Å; N101-L103 PolarHBondContact O-N 3.43Å; L103-L106 HydrophobicContact CD2-CD1 4.3Å; L103-L106 PolarHBondContact O-N 2.98Å; L103-L107 PolarHBondContact O-N 3.43Å; L103-A118 HydrophobicContact CD2-CB 4.43Å; L103-A121 HydrophobicContact CD1-CB 4.15Å; L103-L122 HydrophobicContact CB-CD1 4.09Å; L103-L122 HydrophobicContact CB-CD2 3.74Å; L103-L122 HydrophobicContact CB-CG 3.77Å; L103-L122 HydrophobicContact CD1-CD2 4.15Å; L103-L122 HydrophobicContact CD1-CG 4.31Å; L103-F125 HydrophobicContact CD1-CD2 4.08Å; L103-F125 HydrophobicContact CD1-CE2 3.49Å; L103-F125 VanDerWaalsContact CD1-CE2 3.49Å; L103-F125 HydrophobicContact CD1-CZ 4.26Å |
| 104 | G | 93.4 | Very high | 93.2 | Very high | 13 Ų | 13 | 41 Ų | 41 | 13% | 0.134 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.5 | -43.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G100 N101 R102 L106 L107 | G100-G104 PolarHBondContact O-N 3.07Å; N101-G104 WeakPolarHBondContact O-CA 3.35Å; N101-G104 PolarHBondContact O-N 3.29Å; N101-G104 VanDerWaalsContact O-N 3.1Å; R102-G104 VanDerWaalsContact C-N 3.27Å; R102-G104 PolarHBondContact O-N 2.99Å; G104-L106 VanDerWaalsContact C-N 3.32Å; G104-L106 PolarHBondContact O-N 2.74Å; G104-L107 VanDerWaalsContact O-CB 3.31Å; G104-L107 WeakPolarHBondContact O-CB 3.41Å; G104-L107 PolarHBondContact O-N 3.03Å |
| 105 | E | 93.1 | Very high | 93.3 | Very high | 115 Ų | 115 | 40.1 Ų | 40.1 | 54% | 0.537 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.6 | -38.8 | 173.5 | -68.3 | 167.8 | -171 | 0 | 0 | 111.8 | N101 R102 L107 G108 | N101-E105 PolarHBondContact O-N 3.3Å; R102-E105 WeakPolarHBondContact CD-OE2 3.4Å; R102-E105 IonicContact CZ-OE2 3.02Å; R102-E105 IonicContact NE-OE2 2.73Å; R102-E105 IonicContact NH1-OE2 3.97Å; R102-E105 PolarHBondContact NH1-OE2 2.73Å; R102-E105 WeakPolarHBondContact O-CB 3.1Å; R102-E105 PolarHBondContact O-N 3.32Å; E105-L107 PolarHBondContact O-N 3.43Å; E105-L107 VanDerWaalsContact O-N 3.16Å; E105-G108 PolarHBondContact O-N 3.33Å |
| 106 | L | 94.6 | Very high | 93.5 | Very high | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.5 | -13.6 | 177.2 | -70 | 176.1 | 0 | 0 | 0 | 114 | L38 I46 V50 R102 L103 G104 G108 H109 V114 A118 | L38-L106 HydrophobicContact CD2-CD1 4.2Å; I46-L106 HydrophobicContact CG2-CD1 3.87Å; I46-L106 HydrophobicContact CG2-CD2 4Å; V50-L106 HydrophobicContact CG2-CD1 3.77Å; R102-L106 WeakPolarHBondContact O-CG 3.42Å; R102-L106 PolarHBondContact O-N 2.94Å; L103-L106 HydrophobicContact CD2-CD1 4.3Å; L103-L106 PolarHBondContact O-N 2.98Å; G104-L106 VanDerWaalsContact C-N 3.32Å; G104-L106 PolarHBondContact O-N 2.74Å; L106-G108 PolarHBondContact O-N 3.48Å; L106-H109 HydrophobicContact CD2-CB 4.41Å; L106-H109 WeakPolarHBondContact O-CB 3.23Å; L106-H109 PolarHBondContact O-N 3.28Å; L106-H109 VanDerWaalsContact O-N 3.12Å; L106-V114 HydrophobicContact CB-CG1 4.26Å; L106-V114 HydrophobicContact CD1-CG1 4.5Å; L106-V114 HydrophobicContact CD2-CG1 4.07Å; L106-A118 HydrophobicContact CB-CB 3.9Å |
| 107 | L | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -19.1 | 170 | -58 | 177.7 | 0 | 0 | 0 | 112.3 | L103 G104 E105 K115 A118 L119 L122 Q164 L167 | L103-L107 PolarHBondContact O-N 3.43Å; G104-L107 VanDerWaalsContact O-CB 3.31Å; G104-L107 WeakPolarHBondContact O-CB 3.41Å; G104-L107 PolarHBondContact O-N 3.03Å; E105-L107 PolarHBondContact O-N 3.43Å; E105-L107 VanDerWaalsContact O-N 3.16Å; L107-K115 VanDerWaalsContact O-CD 3.28Å; L107-K115 WeakPolarHBondContact O-CD 3.33Å; L107-K115 WeakPolarHBondContact O-CE 3.39Å; L107-K115 WeakPolarHBondContact O-CG 3.3Å; L107-A118 HydrophobicContact CD2-CB 3.97Å; L107-L119 HydrophobicContact CD2-CB 3.88Å; L107-L122 HydrophobicContact CD1-CD1 3.8Å; L107-L122 HydrophobicContact CD2-CD1 4.29Å; L107-L122 HydrophobicContact CG-CD1 4.16Å; L107-Q164 PolarHBondContact O-NE2 3.46Å; L107-L167 HydrophobicContact CB-CD2 4.4Å; L107-L167 HydrophobicContact CD2-CD2 4.18Å |
| 108 | G | 91.1 | Very high | 93.8 | Very high | 33 Ų | 33 | 40.5 Ų | 40.5 | 34% | 0.34 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 15.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E105 L106 E162 | E105-G108 PolarHBondContact O-N 3.33Å; L106-G108 PolarHBondContact O-N 3.48Å; G108-E162 WeakPolarHBondContact CA-OE2 3.32Å |
| 109 | H | 93.2 | Very high | 94 | Very high | 39 Ų | 39 | 38.2 Ų | 38.2 | 18% | 0.181 | 20% | 0.203 | C | C | . | . | trans | -77.9 | 138.7 | -178.4 | -176.6 | -86.7 | 0 | 0 | 0 | 111.6 | L106 S111 V114 K115 | L106-H109 HydrophobicContact CD2-CB 4.41Å; L106-H109 WeakPolarHBondContact O-CB 3.23Å; L106-H109 PolarHBondContact O-N 3.28Å; L106-H109 VanDerWaalsContact O-N 3.12Å; H109-S111 WeakPolarHBondContact ND1-CB 3.47Å; H109-S111 PolarHBondContact ND1-N 2.96Å; H109-S111 PolarHBondContact O-N 3.2Å; H109-V114 HydrophobicContact CB-CB 4.34Å; H109-V114 HydrophobicContact CB-CG1 3.98Å; H109-K115 WeakPolarHBondContact O-CE 3.17Å; H109-K115 WeakPolarHBondContact O-CG 3.3Å | ||
| 110 | P | 90.3 | Very high | 94.1 | Very high | 114 Ų | 114 | 41.2 Ų | 41.2 | 74% | 0.74 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -57.2 | -31.4 | -174.8 | 21.5 | -35.3 | 0 | 0 | 0 | 114.8 | ||
| 111 | S | 93.3 | Very high | 94.2 | Very high | 21 Ų | 21 | 41.3 Ų | 41.3 | 15% | 0.147 | 23% | 0.225 | C | C | . | . | trans | -82.1 | 121.4 | 177.3 | -178.6 | 0 | 0 | 0 | 0 | 113 | Q43 H109 Q113 V114 K115 | Q43-S111 PolarHBondContact NE2-OG 2.75Å; Q43-S111 VanDerWaalsContact NE2-OG 3.08Å; Q43-S111 PolarHBondContact OE1-OG 3.37Å; H109-S111 WeakPolarHBondContact ND1-CB 3.47Å; H109-S111 PolarHBondContact ND1-N 2.96Å; H109-S111 PolarHBondContact O-N 3.2Å; S111-Q113 VanDerWaalsContact C-N 3.31Å; S111-Q113 PolarHBondContact O-N 3.38Å; S111-V114 PolarHBondContact O-N 3.37Å; S111-V114 VanDerWaalsContact O-N 3.16Å; S111-K115 PolarHBondContact O-N 2.66Å | ||
| 112 | F | 93.4 | Very high | 94.4 | Very high | 68 Ų | 68 | 37.6 Ų | 37.6 | 30% | 0.298 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.4 | -38.3 | 177.6 | 179.5 | -101.6 | 0 | 0 | 0 | 113.3 | V114 K115 E116 L166 Q170 | F112-V114 PolarHBondContact O-N 3.47Å; F112-K115 WeakPolarHBondContact O-CB 3.39Å; F112-K115 PolarHBondContact O-N 3.38Å; F112-K115 VanDerWaalsContact O-N 3.15Å; F112-E116 HydrophobicContact CE1-CB 4.29Å; F112-E116 HydrophobicContact CZ-CB 4.41Å; F112-E116 WeakPolarHBondContact O-CB 3.32Å; F112-E116 PolarHBondContact O-N 2.92Å; F112-L166 HydrophobicContact CD2-CB 4.01Å; F112-L166 HydrophobicContact CD2-CD1 4.31Å; F112-L166 HydrophobicContact CE2-CB 3.52Å; F112-L166 HydrophobicContact CE2-CD1 4.49Å; F112-L166 HydrophobicContact CZ-CB 4.25Å; F112-Q170 HydrophobicContact CZ-CG 4.06Å |
| 113 | Q | 93.7 | Very high | 94.5 | Very high | 104 Ų | 104 | 34.4 Ų | 34.4 | 49% | 0.486 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.9 | -35.2 | 179.9 | -65.1 | 178 | 7.2 | 0 | 0 | 111.9 | S111 L117 | S111-Q113 VanDerWaalsContact C-N 3.31Å; S111-Q113 PolarHBondContact O-N 3.38Å; Q113-L117 WeakPolarHBondContact O-CB 3.33Å; Q113-L117 WeakPolarHBondContact O-CD1 3.42Å; Q113-L117 VanDerWaalsContact O-CG 3.3Å; Q113-L117 WeakPolarHBondContact O-CG 3.35Å; Q113-L117 PolarHBondContact O-N 2.93Å; Q113-L117 VanDerWaalsContact O-N 3.14Å |
| 114 | V | 94.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.3 | -45.5 | 175.7 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | Q43 I46 Q47 L106 H109 S111 F112 E116 L117 A118 | Q43-V114 HydrophobicContact CG-CG2 3.75Å; I46-V114 HydrophobicContact CG2-CG1 3.71Å; I46-V114 HydrophobicContact CG2-CG2 4.46Å; Q47-V114 HydrophobicContact CG-CG2 4.18Å; L106-V114 HydrophobicContact CB-CG1 4.26Å; L106-V114 HydrophobicContact CD1-CG1 4.5Å; L106-V114 HydrophobicContact CD2-CG1 4.07Å; H109-V114 HydrophobicContact CB-CB 4.34Å; H109-V114 HydrophobicContact CB-CG1 3.98Å; S111-V114 PolarHBondContact O-N 3.37Å; S111-V114 VanDerWaalsContact O-N 3.16Å; F112-V114 PolarHBondContact O-N 3.47Å; V114-E116 VanDerWaalsContact C-N 3.34Å; V114-E116 PolarHBondContact O-N 2.76Å; V114-L117 PolarHBondContact O-N 3.38Å; V114-A118 VanDerWaalsContact O-CB 3.3Å; V114-A118 WeakPolarHBondContact O-CB 3.47Å; V114-A118 PolarHBondContact O-N 3.49Å |
| 115 | K | 95.1 | Very high | 94.6 | Very high | 18 Ų | 18 | 37.6 Ų | 37.6 | 8% | 0.078 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.9 | -47.4 | 176.4 | -62.6 | -172.2 | -179.1 | -167 | 0 | 111.9 | L107 H109 S111 F112 A118 L119 E162 L167 | L107-K115 VanDerWaalsContact O-CD 3.28Å; L107-K115 WeakPolarHBondContact O-CD 3.33Å; L107-K115 WeakPolarHBondContact O-CE 3.39Å; L107-K115 WeakPolarHBondContact O-CG 3.3Å; H109-K115 WeakPolarHBondContact O-CE 3.17Å; H109-K115 WeakPolarHBondContact O-CG 3.3Å; S111-K115 PolarHBondContact O-N 2.66Å; F112-K115 WeakPolarHBondContact O-CB 3.39Å; F112-K115 PolarHBondContact O-N 3.38Å; F112-K115 VanDerWaalsContact O-N 3.15Å; K115-A118 PolarHBondContact O-N 3.31Å; K115-L119 WeakPolarHBondContact O-CB 3.47Å; K115-L119 PolarHBondContact O-N 2.96Å; K115-E162 WeakPolarHBondContact CE-OE2 3.4Å; K115-E162 IonicContact NZ-OE2 3.23Å; K115-E162 PolarHBondContact NZ-OE2 3.42Å; K115-L167 HydrophobicContact CB-CD1 4.08Å; K115-L167 HydrophobicContact CB-CD2 4.26Å |
| 116 | E | 95.5 | Very high | 94.7 | Very high | 74 Ų | 74 | 32.1 Ų | 32.1 | 35% | 0.346 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.7 | -46.7 | -179.4 | -178.5 | 178.9 | -140.4 | 0 | 0 | 111.7 | F112 V114 L119 S120 | F112-E116 HydrophobicContact CE1-CB 4.29Å; F112-E116 HydrophobicContact CZ-CB 4.41Å; F112-E116 WeakPolarHBondContact O-CB 3.32Å; F112-E116 PolarHBondContact O-N 2.92Å; V114-E116 VanDerWaalsContact C-N 3.34Å; V114-E116 PolarHBondContact O-N 2.76Å; E116-L119 PolarHBondContact O-N 3.37Å; E116-S120 WeakPolarHBondContact O-CB 3.28Å; E116-S120 PolarHBondContact O-N 3.32Å |
| 117 | L | 96.1 | Very high | 94.6 | Very high | 43 Ų | 43 | 35.3 Ų | 35.3 | 23% | 0.225 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.6 | -39.3 | 177 | -74.4 | 168.6 | 0 | 0 | 0 | 112.2 | Q47 V50 Q113 V114 S120 A121 | Q47-L117 HydrophobicContact CB-CD1 3.89Å; Q47-L117 HydrophobicContact CG-CD1 3.6Å; V50-L117 HydrophobicContact CG1-CB 4.23Å; Q113-L117 WeakPolarHBondContact O-CB 3.33Å; Q113-L117 WeakPolarHBondContact O-CD1 3.42Å; Q113-L117 VanDerWaalsContact O-CG 3.3Å; Q113-L117 WeakPolarHBondContact O-CG 3.35Å; Q113-L117 PolarHBondContact O-N 2.93Å; Q113-L117 VanDerWaalsContact O-N 3.14Å; V114-L117 PolarHBondContact O-N 3.38Å; L117-S120 PolarHBondContact O-N 3.2Å; L117-A121 VanDerWaalsContact O-CB 3.31Å; L117-A121 WeakPolarHBondContact O-CB 3.3Å; L117-A121 PolarHBondContact O-N 3.42Å |
| 118 | A | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L103 L106 L107 V114 K115 A121 L122 | L103-A118 HydrophobicContact CD2-CB 4.43Å; L106-A118 HydrophobicContact CB-CB 3.9Å; L107-A118 HydrophobicContact CD2-CB 3.97Å; V114-A118 VanDerWaalsContact O-CB 3.3Å; V114-A118 WeakPolarHBondContact O-CB 3.47Å; V114-A118 PolarHBondContact O-N 3.49Å; K115-A118 PolarHBondContact O-N 3.31Å; A118-A121 PolarHBondContact O-N 3.4Å; A118-L122 WeakPolarHBondContact O-CB 3.41Å; A118-L122 WeakPolarHBondContact O-CG 3.48Å; A118-L122 PolarHBondContact O-N 2.9Å |
| 119 | L | 96.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.5 | -48.6 | 175 | 178.2 | 64.3 | 0 | 0 | 0 | 111.2 | L107 K115 E116 A121 L122 M123 V153 L157 L167 F171 | L107-L119 HydrophobicContact CD2-CB 3.88Å; K115-L119 WeakPolarHBondContact O-CB 3.47Å; K115-L119 PolarHBondContact O-N 2.96Å; E116-L119 PolarHBondContact O-N 3.37Å; L119-A121 VanDerWaalsContact C-N 3.32Å; L119-A121 PolarHBondContact O-N 3.06Å; L119-L122 PolarHBondContact O-N 2.89Å; L119-M123 HydrophobicContact CD1-CG 4.17Å; L119-M123 HydrophobicContact CG-CG 4.5Å; L119-M123 WeakPolarHBondContact O-CB 3.41Å; L119-M123 WeakPolarHBondContact O-CG 3.15Å; L119-M123 PolarHBondContact O-N 2.91Å; L119-V153 HydrophobicContact CD1-CG1 3.64Å; L119-L157 HydrophobicContact CD1-CD2 4.48Å; L119-L167 HydrophobicContact CB-CD1 3.98Å; L119-L167 HydrophobicContact CD2-CD1 3.57Å; L119-L167 HydrophobicContact CD2-CG 3.98Å; L119-L167 HydrophobicContact CG-CD1 4.38Å; L119-F171 HydrophobicContact CD1-CD2 4.09Å; L119-F171 HydrophobicContact CD2-CB 4.22Å; L119-F171 HydrophobicContact CD2-CD2 4.46Å |
| 120 | S | 96.2 | Very high | 94.3 | Very high | 63 Ų | 63 | 33.9 Ų | 33.9 | 44% | 0.441 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.8 | -42.5 | 177.9 | -173.1 | 0 | 0 | 0 | 0 | 111.8 | E116 L117 M123 K124 | E116-S120 WeakPolarHBondContact O-CB 3.28Å; E116-S120 PolarHBondContact O-N 3.32Å; L117-S120 PolarHBondContact O-N 3.2Å; S120-M123 PolarHBondContact O-N 3.29Å; S120-K124 WeakPolarHBondContact O-CB 3.48Å; S120-K124 PolarHBondContact O-N 2.92Å |
| 121 | A | 96.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 4% | 0.041 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.5 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V50 L103 L117 A118 L119 K124 F125 | V50-A121 HydrophobicContact CG1-CB 3.84Å; L103-A121 HydrophobicContact CD1-CB 4.15Å; L117-A121 VanDerWaalsContact O-CB 3.31Å; L117-A121 WeakPolarHBondContact O-CB 3.3Å; L117-A121 PolarHBondContact O-N 3.42Å; A118-A121 PolarHBondContact O-N 3.4Å; L119-A121 VanDerWaalsContact C-N 3.32Å; L119-A121 PolarHBondContact O-N 3.06Å; A121-K124 PolarHBondContact O-N 3.44Å; A121-F125 WeakPolarHBondContact O-CG 3.3Å; A121-F125 PolarHBondContact O-N 3.06Å |
| 122 | L | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.8 | -42.9 | 176.4 | -74.5 | 167.9 | 0 | 0 | 0 | 112.1 | L103 L107 A118 L119 K124 F125 V126 L149 V153 | L103-L122 HydrophobicContact CB-CD1 4.09Å; L103-L122 HydrophobicContact CB-CD2 3.74Å; L103-L122 HydrophobicContact CB-CG 3.77Å; L103-L122 HydrophobicContact CD1-CD2 4.15Å; L103-L122 HydrophobicContact CD1-CG 4.31Å; L107-L122 HydrophobicContact CD1-CD1 3.8Å; L107-L122 HydrophobicContact CD2-CD1 4.29Å; L107-L122 HydrophobicContact CG-CD1 4.16Å; A118-L122 WeakPolarHBondContact O-CB 3.41Å; A118-L122 WeakPolarHBondContact O-CG 3.48Å; A118-L122 PolarHBondContact O-N 2.9Å; L119-L122 PolarHBondContact O-N 2.89Å; L122-K124 VanDerWaalsContact C-N 3.31Å; L122-K124 PolarHBondContact O-N 3.37Å; L122-F125 WeakPolarHBondContact O-CA 3.31Å; L122-F125 WeakPolarHBondContact O-CB 3.33Å; L122-F125 PolarHBondContact O-N 3.38Å; L122-F125 VanDerWaalsContact O-N 3.11Å; L122-V126 WeakPolarHBondContact O-CG2 3.35Å; L122-V126 PolarHBondContact O-N 2.88Å; L122-L149 HydrophobicContact CD2-CD1 3.86Å; L122-V153 HydrophobicContact CB-CG2 3.67Å; L122-V153 HydrophobicContact CD1-CG2 4.08Å; L122-V153 HydrophobicContact CG-CG2 4.36Å |
| 123 | M | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.7 | -37.1 | 176.4 | -71.7 | -56.2 | -59.6 | 0 | 0 | 111.6 | L119 S120 F125 V126 Q127 F150 V153 F171 Y174 T180 Y230 | L119-M123 HydrophobicContact CD1-CG 4.17Å; L119-M123 HydrophobicContact CG-CG 4.5Å; L119-M123 WeakPolarHBondContact O-CB 3.41Å; L119-M123 WeakPolarHBondContact O-CG 3.15Å; L119-M123 PolarHBondContact O-N 2.91Å; S120-M123 PolarHBondContact O-N 3.29Å; M123-F125 VanDerWaalsContact C-N 3.33Å; M123-F125 PolarHBondContact O-N 3.3Å; M123-V126 WeakPolarHBondContact O-CB 3.43Å; M123-V126 PolarHBondContact O-N 3.15Å; M123-Q127 PolarHBondContact O-N 3.34Å; M123-F150 HydrophobicContact CE-CE2 4.1Å; M123-F150 HydrophobicContact SD-CD2 4.46Å; M123-F150 HydrophobicContact SD-CE2 4Å; M123-V153 HydrophobicContact SD-CG1 4.11Å; M123-V153 HydrophobicContact SD-CG2 4.46Å; M123-F171 HydrophobicContact CE-CE2 4.43Å; M123-F171 HydrophobicContact SD-CE2 3.87Å; M123-Y174 HydrophobicContact CB-CE1 4.15Å; M123-Y174 HydrophobicContact CB-CE2 4.29Å; M123-Y174 HydrophobicContact CE-CD1 3.81Å; M123-Y174 HydrophobicContact CE-CD2 4.18Å; M123-Y174 HydrophobicContact CE-CE1 4.34Å; M123-Y174 HydrophobicContact CE-CG 3.73Å; M123-Y174 HydrophobicContact CG-CD2 4.02Å; M123-Y174 HydrophobicContact CG-CE1 4.33Å; M123-Y174 HydrophobicContact CG-CE2 3.75Å; M123-Y174 HydrophobicContact CG-CG 4.44Å; M123-T180 HydrophobicContact CE-CG2 4.07Å; M123-Y230 HydrophobicContact CE-CD1 4.19Å; M123-Y230 HydrophobicContact CE-CE1 3.75Å; M123-Y230 WeakPolarHBondContact O-CE1 3.46Å; M123-Y230 PolarHBondContact O-OH 3.43Å |
| 124 | K | 94.9 | Very high | 93.2 | Very high | 80 Ų | 80 | 27.5 Ų | 27.5 | 35% | 0.348 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -62.5 | -39.1 | 170.4 | -175.3 | 174.6 | 175.9 | -175.2 | 0 | 112.3 | S120 A121 L122 Q127 L128 | S120-K124 WeakPolarHBondContact O-CB 3.48Å; S120-K124 PolarHBondContact O-N 2.92Å; A121-K124 PolarHBondContact O-N 3.44Å; L122-K124 VanDerWaalsContact C-N 3.31Å; L122-K124 PolarHBondContact O-N 3.37Å; K124-Q127 WeakPolarHBondContact O-CB 3.43Å; K124-Q127 PolarHBondContact O-N 3.38Å; K124-L128 HydrophobicContact CG-CD1 4.05Å; K124-L128 HydrophobicContact CG-CG 4.41Å; K124-L128 WeakPolarHBondContact O-CB 3.45Å; K124-L128 WeakPolarHBondContact O-CG 3.46Å; K124-L128 PolarHBondContact O-N 3.14Å |
| 125 | F | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.8 | -40.3 | 172.9 | -70.8 | -11.3 | 0 | 0 | 0 | 112 | F57 Y96 L103 A121 L122 M123 Q127 L128 E129 L149 | F57-F125 HydrophobicContact CB-CE1 3.85Å; F57-F125 HydrophobicContact CB-CZ 3.79Å; F57-F125 HydrophobicContact CD2-CZ 4.28Å; F57-F125 HydrophobicContact CG-CZ 4.48Å; Y96-F125 HydrophobicContact CE2-CB 4.37Å; Y96-F125 HydrophobicContact CE2-CD1 4.33Å; Y96-F125 AromaticContact CE2-CD2 3.8Å; Y96-F125 HydrophobicContact CE2-CD2 3.8Å; Y96-F125 HydrophobicContact CE2-CE2 4.08Å; Y96-F125 AromaticContact CE2-CG 3.94Å; Y96-F125 HydrophobicContact CE2-CG 3.94Å; Y96-F125 HydrophobicContact CE2-CZ 4.46Å; L103-F125 HydrophobicContact CD1-CD2 4.08Å; L103-F125 HydrophobicContact CD1-CE2 3.49Å; L103-F125 VanDerWaalsContact CD1-CE2 3.49Å; L103-F125 HydrophobicContact CD1-CZ 4.26Å; A121-F125 WeakPolarHBondContact O-CG 3.3Å; A121-F125 PolarHBondContact O-N 3.06Å; L122-F125 WeakPolarHBondContact O-CA 3.31Å; L122-F125 WeakPolarHBondContact O-CB 3.33Å; L122-F125 PolarHBondContact O-N 3.38Å; L122-F125 VanDerWaalsContact O-N 3.11Å; M123-F125 VanDerWaalsContact C-N 3.33Å; M123-F125 PolarHBondContact O-N 3.3Å; F125-Q127 VanDerWaalsContact C-N 3.31Å; F125-Q127 PolarHBondContact O-N 3.03Å; F125-L128 PolarHBondContact O-N 3.02Å; F125-E129 WeakPolarHBondContact O-CB 3.3Å; F125-E129 PolarHBondContact O-N 2.88Å; F125-L149 HydrophobicContact CB-CD2 3.57Å |
| 126 | V | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.1 | -43.8 | 173.3 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | L122 M123 G130 F145 P146 L149 F150 | L122-V126 WeakPolarHBondContact O-CG2 3.35Å; L122-V126 PolarHBondContact O-N 2.88Å; M123-V126 WeakPolarHBondContact O-CB 3.43Å; M123-V126 PolarHBondContact O-N 3.15Å; V126-G130 PolarHBondContact O-N 3.43Å; V126-F145 HydrophobicContact CG1-CE2 4.03Å; V126-F145 HydrophobicContact CG1-CZ 3.87Å; V126-P146 HydrophobicContact CB-CG 4.21Å; V126-P146 HydrophobicContact CG1-CG 3.89Å; V126-P146 HydrophobicContact CG2-CG 4.42Å; V126-P146 WeakPolarHBondContact O-CG 3.42Å; V126-L149 HydrophobicContact CB-CD2 4.4Å; V126-L149 HydrophobicContact CG2-CD2 3.66Å; V126-L149 HydrophobicContact CG2-CG 3.9Å; V126-F150 HydrophobicContact CG1-CD2 4.01Å; V126-F150 HydrophobicContact CG2-CB 4.46Å; V126-F150 HydrophobicContact CG2-CD2 3.93Å |
| 127 | Q | 93.7 | Very high | 90.8 | Very high | 74 Ų | 74 | 39.4 Ų | 39.4 | 35% | 0.346 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.5 | -50.1 | 177.2 | -171 | 175.7 | 47 | 0 | 0 | 112.1 | M123 K124 F125 G130 A131 Y230 | M123-Q127 PolarHBondContact O-N 3.34Å; K124-Q127 WeakPolarHBondContact O-CB 3.43Å; K124-Q127 PolarHBondContact O-N 3.38Å; F125-Q127 VanDerWaalsContact C-N 3.31Å; F125-Q127 PolarHBondContact O-N 3.03Å; Q127-G130 PolarHBondContact O-N 3.38Å; Q127-A131 PolarHBondContact O-N 3.45Å; Q127-Y230 HydrophobicContact CB-CD1 4.34Å; Q127-Y230 HydrophobicContact CB-CE1 3.67Å; Q127-Y230 HydrophobicContact CG-CE1 4.33Å |
| 128 | L | 92.1 | Very high | 89.7 | Confident | 17 Ų | 17 | 46.1 Ų | 46.1 | 9% | 0.089 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71.3 | -40.2 | -175.9 | -69.3 | 176.2 | 0 | 0 | 0 | 112.5 | G58 L61 E62 K124 F125 G130 A131 H132 | G58-L128 VanDerWaalsContact CA-CD1 3.41Å; L61-L128 HydrophobicContact CB-CB 4.33Å; L61-L128 HydrophobicContact CD1-CB 3.78Å; E62-L128 HydrophobicContact CG-CD2 4.16Å; K124-L128 HydrophobicContact CG-CD1 4.05Å; K124-L128 HydrophobicContact CG-CG 4.41Å; K124-L128 WeakPolarHBondContact O-CB 3.45Å; K124-L128 WeakPolarHBondContact O-CG 3.46Å; K124-L128 PolarHBondContact O-N 3.14Å; F125-L128 PolarHBondContact O-N 3.02Å; L128-G130 VanDerWaalsContact C-N 3.3Å; L128-A131 PolarHBondContact O-N 3.31Å; L128-H132 WeakPolarHBondContact O-CB 2.9Å; L128-H132 PolarHBondContact O-N 2.88Å |
| 129 | E | 90.9 | Very high | 88.4 | Confident | 24 Ų | 24 | 54.3 Ų | 54.3 | 11% | 0.112 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.8 | -32.2 | 174.5 | -170 | 175 | 156.6 | 0 | 0 | 111.4 | Y96 F125 H132 P133 L134 P146 | Y96-E129 WeakPolarHBondContact CE1-OE2 3.39Å; Y96-E129 PolarHBondContact OH-OE2 3.47Å; F125-E129 WeakPolarHBondContact O-CB 3.3Å; F125-E129 PolarHBondContact O-N 2.88Å; E129-H132 CarbonylContact O-C 3.59Å; E129-P133 VanDerWaalsContact O-CA 3.23Å; E129-P133 WeakPolarHBondContact O-CA 3.49Å; E129-L134 HydrophobicContact CG-CD1 4.09Å; E129-L134 HydrophobicContact CG-CG 4.01Å; E129-P146 HydrophobicContact CB-CB 3.99Å; E129-P146 HydrophobicContact CB-CG 4.23Å; E129-P146 VanDerWaalsContact CD-CB 3.49Å; E129-P146 HydrophobicContact CG-CB 3.77Å; E129-P146 HydrophobicContact CG-CG 4.48Å |
| 130 | G | 88.3 | Confident | 86.7 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.4 | -37.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V126 Q127 L128 V231 R233 | V126-G130 PolarHBondContact O-N 3.43Å; Q127-G130 PolarHBondContact O-N 3.38Å; L128-G130 VanDerWaalsContact C-N 3.3Å; G130-V231 VanDerWaalsContact CA-CG1 3.46Å; G130-V231 WeakPolarHBondContact O-CG1 3.42Å; G130-R233 PolarHBondContact O-NE 2.65Å; G130-R233 PolarHBondContact O-NH2 3.37Å |
| 131 | A | 87.6 | Confident | 85.1 | Confident | 49 Ų | 49 | 61.8 Ų | 61.8 | 41% | 0.405 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -78 | -33.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q127 L128 P133 | Q127-A131 PolarHBondContact O-N 3.45Å; L128-A131 PolarHBondContact O-N 3.31Å; A131-P133 WeakPolarHBondContact O-CD 3.43Å |
| 132 | H | 88.4 | Confident | 83.9 | Confident | 79 Ų | 79 | 63.4 Ų | 63.4 | 37% | 0.366 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -123.4 | 76.6 | 178.7 | -58.4 | -74.4 | 0 | 0 | 0 | 110.6 | L128 E129 L134 | L128-H132 WeakPolarHBondContact O-CB 2.9Å; L128-H132 PolarHBondContact O-N 2.88Å; E129-H132 CarbonylContact O-C 3.59Å; H132-L134 PolarHBondContact O-N 2.99Å |
| 133 | P | 85.8 | Confident | 82.8 | Confident | 40 Ų | 40 | 64.4 Ų | 64.4 | 26% | 0.26 | 32% | 0.315 | S | S | . | . | trans | -59.5 | 131.1 | -171.8 | -26.9 | 37 | 0 | 0 | 0 | 113.8 | E129 A131 E135 L144 R233 | E129-P133 VanDerWaalsContact O-CA 3.23Å; E129-P133 WeakPolarHBondContact O-CA 3.49Å; A131-P133 WeakPolarHBondContact O-CD 3.43Å; P133-E135 PolarHBondContact O-N 3.5Å; P133-L144 HydrophobicContact CB-CB 4.39Å; P133-L144 HydrophobicContact CB-CD1 3.78Å; P133-L144 HydrophobicContact CG-CB 4.41Å; P133-L144 HydrophobicContact CG-CD1 4.15Å; P133-R233 VanDerWaalsContact CG-NH2 3.32Å | ||
| 134 | L | 86.1 | Confident | 82.1 | Confident | 5 Ų | 5 | 65.5 Ų | 65.5 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -83.1 | -1.5 | 172.1 | -61.4 | -179.9 | 0 | 0 | 0 | 112.9 | L61 L66 V68 G69 R93 Y96 E129 H132 | L61-L134 HydrophobicContact CD2-CD1 4.28Å; L61-L134 HydrophobicContact CD2-CD2 3.98Å; L61-L134 HydrophobicContact CD2-CG 4.19Å; L66-L134 HydrophobicContact CB-CD2 3.66Å; L66-L134 HydrophobicContact CD1-CD1 4.36Å; L66-L134 HydrophobicContact CD1-CD2 4.24Å; V68-L134 CarbonylContact C-O 3.38Å; V68-L134 WeakPolarHBondContact CA-O 3.21Å; G69-L134 PolarHBondContact N-O 2.91Å; R93-L134 PolarHBondContact NH1-O 2.85Å; Y96-L134 HydrophobicContact CD1-CD1 4.02Å; Y96-L134 HydrophobicContact CE1-CD1 3.73Å; E129-L134 HydrophobicContact CG-CD1 4.09Å; E129-L134 HydrophobicContact CG-CG 4.01Å; H132-L134 PolarHBondContact O-N 2.99Å |
| 135 | E | 83.5 | Confident | 81.8 | Confident | 113 Ų | 113 | 62.5 Ų | 62.5 | 53% | 0.528 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -114.4 | 146.7 | 173.2 | -64.8 | -171.9 | 176 | 0 | 0 | 110.5 | P133 L144 | P133-E135 PolarHBondContact O-N 3.5Å; E135-L144 WeakPolarHBondContact O-CD1 3.23Å |
| 136 | K | 77.4 | Confident | 81.6 | Confident | 153 Ų | 153 | 63 Ų | 63 | 67% | 0.665 | 31% | 0.311 | S | S | * | . | trans | -79.8 | 135.7 | 174.2 | -66 | -171.4 | 177.9 | -173.3 | 0 | 109.4 | V68 K138 | V68-K136 HydrophobicContact CG1-CG 3.97Å; K136-K138 PolarHBondContact O-N 3.36Å | ||
| 137 | P | 74.1 | Confident | 81.3 | Confident | 77 Ų | 77 | 69.3 Ų | 69.3 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | trans | -61.7 | 137.5 | 174.7 | 25.5 | -32.3 | 0 | 0 | 0 | 109.7 | W139 N142 L144 | P137-W139 VanDerWaalsContact C-N 3.26Å; P137-N142 HydrophobicContact CB-CB 4.33Å; P137-L144 HydrophobicContact CB-CD1 4Å | ||
| 138 | K | 71.7 | Confident | 81.2 | Confident | 184 Ų | 184 | 71.7 Ų | 71.7 | 80% | 0.8 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -69.7 | -27.8 | 177.5 | -66.1 | -175.1 | 179.9 | -178.7 | 0 | 112 | K136 | K136-K138 PolarHBondContact O-N 3.36Š|
| 139 | W | 70.2 | Confident | 81.2 | Confident | 173 Ų | 173 | 71.5 Ų | 71.5 | 66% | 0.655 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -154.7 | 162 | 175.8 | 53 | 68.3 | 0 | 0 | 0 | 109.5 | P137 N142 | P137-W139 VanDerWaalsContact C-N 3.26Å; W139-N142 HydrophobicContact CG-CB 4.36Å; W139-N142 WeakPolarHBondContact O-CB 3.29Å; W139-N142 PolarHBondContact O-N 2.88Å |
| 140 | E | 60.6 | Low | 81.4 | Confident | 195 Ų | 195 | 70.4 Ų | 70.4 | 91% | 0.911 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 134 | 176.8 | -70.9 | -176.7 | 165.6 | 0 | 0 | 111.4 | ||
| 141 | G | 62.8 | Low | 81.7 | Confident | 29 Ų | 29 | 72.7 Ų | 72.7 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 8.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y143 W240 | G141-Y143 PolarHBondContact O-N 2.84Å; G141-W240 PolarHBondContact O-NE1 2.81Å |
| 142 | N | 71 | Confident | 82 | Confident | 38 Ų | 38 | 73.1 Ų | 73.1 | 20% | 0.203 | 34% | 0.344 | C | S | . | . | trans | -69.4 | 121.3 | 175.2 | -169.6 | 34.9 | 0 | 0 | 0 | 111.6 | P137 W139 L144 R233 | P137-N142 HydrophobicContact CB-CB 4.33Å; W139-N142 HydrophobicContact CG-CB 4.36Å; W139-N142 WeakPolarHBondContact O-CB 3.29Å; W139-N142 PolarHBondContact O-N 2.88Å; N142-L144 PolarHBondContact O-N 3.36Å; N142-L144 VanDerWaalsContact O-N 3.09Å; N142-R233 PolarHBondContact O-NH1 2.94Å | ||
| 143 | Y | 73.8 | Confident | 82.4 | Confident | 22 Ų | 22 | 69.4 Ų | 69.4 | 9% | 0.086 | 33% | 0.327 | C | S | . | . | trans | -66.1 | 109.7 | 172.6 | -173.8 | -106 | 0 | 0 | 0 | 110.7 | G141 F145 D179 H183 W240 V242 | G141-Y143 PolarHBondContact O-N 2.84Å; Y143-F145 HydrophobicContact CD1-CB 4.34Å; Y143-F145 HydrophobicContact CE1-CB 3.7Å; Y143-F145 HydrophobicContact CE1-CD2 4.24Å; Y143-F145 HydrophobicContact CE1-CG 4.35Å; Y143-F145 WeakPolarHBondContact OH-CD2 3.32Å; Y143-D179 WeakPolarHBondContact OH-CB 3.31Å; Y143-D179 PolarHBondContact OH-OD2 2.83Å; Y143-H183 AromaticContact CE1-NE2 3.59Å; Y143-W240 AromaticContact CD2-CD2 3.66Å; Y143-W240 HydrophobicContact CD2-CD2 3.66Å; Y143-W240 AromaticContact CD2-CE2 3.98Å; Y143-W240 AromaticContact CD2-CE3 3.47Å; Y143-W240 HydrophobicContact CD2-CE3 3.47Å; Y143-W240 VanDerWaalsContact CD2-CE3 3.47Å; Y143-W240 HydrophobicContact CD2-CG 4.36Å; Y143-W240 HydrophobicContact CD2-CH2 4.01Å; Y143-W240 HydrophobicContact CD2-CZ2 4.14Å; Y143-W240 AromaticContact CD2-CZ3 3.66Å; Y143-W240 HydrophobicContact CD2-CZ3 3.66Å; Y143-W240 HydrophobicContact CE2-CE3 4.02Å; Y143-W240 HydrophobicContact CE2-CZ3 4.01Å; Y143-W240 HydrophobicContact CG-CD2 4.03Å; Y143-W240 HydrophobicContact CG-CE3 4.22Å; Y143-W240 HydrophobicContact CG-CG 4.27Å; Y143-V242 HydrophobicContact CD1-CG2 3.87Å; Y143-V242 HydrophobicContact CE1-CG2 3.79Å | ||
| 144 | L | 81.7 | Confident | 82.9 | Confident | 23 Ų | 23 | 67.5 Ų | 67.5 | 12% | 0.12 | 32% | 0.315 | C | S | . | . | trans | -103.1 | 116.6 | 177.1 | -65.7 | 173.4 | 0 | 0 | 0 | 109 | P133 E135 P137 N142 R233 | P133-L144 HydrophobicContact CB-CB 4.39Å; P133-L144 HydrophobicContact CB-CD1 3.78Å; P133-L144 HydrophobicContact CG-CB 4.41Å; P133-L144 HydrophobicContact CG-CD1 4.15Å; E135-L144 WeakPolarHBondContact O-CD1 3.23Å; P137-L144 HydrophobicContact CB-CD1 4Å; N142-L144 PolarHBondContact O-N 3.36Å; N142-L144 VanDerWaalsContact O-N 3.09Å; L144-R233 PolarHBondContact O-NH2 3.48Å | ||
| 145 | F | 88 | Confident | 83.3 | Confident | 17 Ų | 17 | 68.2 Ų | 68.2 | 8% | 0.075 | 32% | 0.323 | C | S | . | . | trans | -118.3 | 139.9 | 176 | -175.7 | -93.8 | 0 | 0 | 0 | 109.1 | V126 Y143 R147 F150 D179 H183 V231 | V126-F145 HydrophobicContact CG1-CE2 4.03Å; V126-F145 HydrophobicContact CG1-CZ 3.87Å; Y143-F145 HydrophobicContact CD1-CB 4.34Å; Y143-F145 HydrophobicContact CE1-CB 3.7Å; Y143-F145 HydrophobicContact CE1-CD2 4.24Å; Y143-F145 HydrophobicContact CE1-CG 4.35Å; Y143-F145 WeakPolarHBondContact OH-CD2 3.32Å; F145-R147 HydrophobicContact CD1-CG 4.04Å; F145-R147 PolarHBondContact O-N 2.91Å; F145-F150 HydrophobicContact CE1-CB 3.52Å; F145-F150 AromaticContact CE1-CD1 3.9Å; F145-F150 HydrophobicContact CE1-CD1 3.9Å; F145-F150 AromaticContact CE1-CD2 3.9Å; F145-F150 HydrophobicContact CE1-CD2 3.9Å; F145-F150 AromaticContact CE1-CG 3.5Å; F145-F150 HydrophobicContact CE1-CG 3.5Å; F145-F150 VanDerWaalsContact CE1-CG 3.5Å; F145-F150 HydrophobicContact CZ-CB 4.14Å; F145-F150 HydrophobicContact CZ-CD1 4.22Å; F145-F150 AromaticContact CZ-CD2 3.62Å; F145-F150 HydrophobicContact CZ-CD2 3.62Å; F145-F150 HydrophobicContact CZ-CE2 4.01Å; F145-F150 AromaticContact CZ-CG 3.73Å; F145-F150 HydrophobicContact CZ-CG 3.73Å; F145-F150 HydrophobicContact CZ-CZ 4.45Å; F145-D179 HydrophobicContact CE2-CB 4.42Å; F145-H183 WeakPolarHBondContact CB-NE2 3.38Å; F145-H183 HydrophobicContact CD1-CB 4.07Å; F145-H183 AromaticContact CD1-CD2 3.28Å; F145-H183 WeakPolarHBondContact CD1-CD2 3.3Å; F145-H183 AromaticContact CD1-CG 3.55Å; F145-H183 AromaticContact CD1-NE2 3.75Å; F145-H183 AromaticContact CD2-CD2 3.52Å; F145-H183 HydrophobicContact CE1-CB 3.57Å; F145-H183 AromaticContact CE1-CD2 3.55Å; F145-H183 AromaticContact CE1-CG 3.59Å; F145-H183 AromaticContact CE2-CD2 3.79Å; F145-H183 AromaticContact CG-CD2 3.25Å; F145-H183 WeakPolarHBondContact CG-CD2 3.4Å; F145-H183 AromaticContact CG-NE2 3.48Å; F145-H183 WeakPolarHBondContact CG-NE2 3.23Å; F145-H183 HydrophobicContact CZ-CB 3.94Å; F145-H183 AromaticContact CZ-CD2 3.8Å; F145-V231 HydrophobicContact CD2-CG2 4.26Å; F145-V231 HydrophobicContact CE2-CG2 4.25Å | ||
| 146 | P | 90.9 | Very high | 83.8 | Confident | 10 Ų | 10 | 63.5 Ų | 63.5 | 7% | 0.065 | 31% | 0.305 | C | S | . | . | trans | -75.2 | 73.4 | -177.5 | 32.5 | -36.5 | 0 | 0 | 0 | 111.1 | V126 E129 E148 L149 F150 | V126-P146 HydrophobicContact CB-CG 4.21Å; V126-P146 HydrophobicContact CG1-CG 3.89Å; V126-P146 HydrophobicContact CG2-CG 4.42Å; V126-P146 WeakPolarHBondContact O-CG 3.42Å; E129-P146 HydrophobicContact CB-CB 3.99Å; E129-P146 HydrophobicContact CB-CG 4.23Å; E129-P146 VanDerWaalsContact CD-CB 3.49Å; E129-P146 HydrophobicContact CG-CB 3.77Å; E129-P146 HydrophobicContact CG-CG 4.48Å; P146-E148 PolarHBondContact O-N 3.34Å; P146-L149 HydrophobicContact CB-CB 4.29Å; P146-L149 PolarHBondContact O-N 3.28Å; P146-F150 WeakPolarHBondContact O-CB 3.41Å; P146-F150 PolarHBondContact O-N 2.85Å | ||
| 147 | R | 89.3 | Confident | 84.6 | Confident | 133 Ų | 133 | 56.2 Ų | 56.2 | 50% | 0.502 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | -172.2 | -68.7 | -179.3 | -176 | -167.4 | 1.7 | 112.7 | F145 F150 K151 | F145-R147 HydrophobicContact CD1-CG 4.04Å; F145-R147 PolarHBondContact O-N 2.91Å; R147-F150 PolarHBondContact O-N 2.85Å; R147-K151 VanDerWaalsContact O-CG 3.23Å; R147-K151 WeakPolarHBondContact O-CG 3.43Å; R147-K151 PolarHBondContact O-N 3.33Å |
| 148 | E | 90.5 | Very high | 85.6 | Confident | 124 Ų | 124 | 52.7 Ų | 52.7 | 58% | 0.579 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -66.1 | -42.4 | -177.6 | -63.8 | -54.7 | 123.9 | 0 | 0 | 111.7 | P146 K151 L152 | P146-E148 PolarHBondContact O-N 3.34Å; E148-K151 PolarHBondContact O-N 3.37Å; E148-K151 WeakPolarHBondContact OE1-CE 3.39Å; E148-K151 IonicContact OE1-NZ 3.22Å; E148-K151 PolarHBondContact OE1-NZ 3.38Å; E148-L152 PolarHBondContact O-N 3.41Å |
| 149 | L | 92.8 | Very high | 86.6 | Confident | 12 Ų | 12 | 44.8 Ų | 44.8 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63 | -44.1 | 172.5 | 179.4 | 66.7 | 0 | 0 | 0 | 111.6 | L122 F125 V126 P146 K151 L152 V153 | L122-L149 HydrophobicContact CD2-CD1 3.86Å; F125-L149 HydrophobicContact CB-CD2 3.57Å; V126-L149 HydrophobicContact CB-CD2 4.4Å; V126-L149 HydrophobicContact CG2-CD2 3.66Å; V126-L149 HydrophobicContact CG2-CG 3.9Å; P146-L149 HydrophobicContact CB-CB 4.29Å; P146-L149 PolarHBondContact O-N 3.28Å; L149-K151 VanDerWaalsContact C-N 3.29Å; L149-K151 PolarHBondContact O-N 3.49Å; L149-L152 HydrophobicContact CD1-CD1 4.42Å; L149-L152 VanDerWaalsContact O-CB 3.32Å; L149-L152 WeakPolarHBondContact O-CB 3.43Å; L149-L152 PolarHBondContact O-N 3.33Å; L149-L152 VanDerWaalsContact O-N 3.08Å; L149-V153 PolarHBondContact O-N 3.42Å |
| 150 | F | 95.1 | Very high | 87.5 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.009 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.5 | -31.2 | -180 | -162.4 | -102.1 | 0 | 0 | 0 | 112.8 | M123 V126 F145 P146 R147 L152 V153 V154 F171 T180 H183 T184 A187 | M123-F150 HydrophobicContact CE-CE2 4.1Å; M123-F150 HydrophobicContact SD-CD2 4.46Å; M123-F150 HydrophobicContact SD-CE2 4Å; V126-F150 HydrophobicContact CG1-CD2 4.01Å; V126-F150 HydrophobicContact CG2-CB 4.46Å; V126-F150 HydrophobicContact CG2-CD2 3.93Å; F145-F150 HydrophobicContact CE1-CB 3.52Å; F145-F150 AromaticContact CE1-CD1 3.9Å; F145-F150 HydrophobicContact CE1-CD1 3.9Å; F145-F150 AromaticContact CE1-CD2 3.9Å; F145-F150 HydrophobicContact CE1-CD2 3.9Å; F145-F150 AromaticContact CE1-CG 3.5Å; F145-F150 HydrophobicContact CE1-CG 3.5Å; F145-F150 VanDerWaalsContact CE1-CG 3.5Å; F145-F150 HydrophobicContact CZ-CB 4.14Å; F145-F150 HydrophobicContact CZ-CD1 4.22Å; F145-F150 AromaticContact CZ-CD2 3.62Å; F145-F150 HydrophobicContact CZ-CD2 3.62Å; F145-F150 HydrophobicContact CZ-CE2 4.01Å; F145-F150 AromaticContact CZ-CG 3.73Å; F145-F150 HydrophobicContact CZ-CG 3.73Å; F145-F150 HydrophobicContact CZ-CZ 4.45Å; P146-F150 WeakPolarHBondContact O-CB 3.41Å; P146-F150 PolarHBondContact O-N 2.85Å; R147-F150 PolarHBondContact O-N 2.85Å; F150-L152 VanDerWaalsContact C-N 3.29Å; F150-L152 PolarHBondContact O-N 3.32Å; F150-V153 WeakPolarHBondContact O-CB 3.17Å; F150-V153 PolarHBondContact O-N 3.49Å; F150-V154 HydrophobicContact CD1-CG2 4.03Å; F150-V154 HydrophobicContact CE1-CG2 3.74Å; F150-V154 HydrophobicContact CZ-CG2 4.39Å; F150-V154 PolarHBondContact O-N 2.75Å; F150-F171 HydrophobicContact CE2-CZ 4.43Å; F150-F171 AromaticContact CZ-CZ 3.97Å; F150-F171 HydrophobicContact CZ-CZ 3.97Å; F150-T180 HydrophobicContact CE2-CG2 4.47Å; F150-H183 HydrophobicContact CD1-CB 4Å; F150-H183 HydrophobicContact CE1-CB 3.97Å; F150-T184 WeakPolarHBondContact CE1-OG1 3.45Å; F150-T184 WeakPolarHBondContact CZ-OG1 3.47Å; F150-A187 HydrophobicContact CD1-CB 4.41Å |
| 151 | K | 94.4 | Very high | 88.8 | Confident | 49 Ų | 49 | 37.2 Ų | 37.2 | 21% | 0.213 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.3 | -33.5 | 171.3 | -74.7 | 172 | -166.1 | -173.7 | 0 | 112.3 | R147 E148 L149 G155 A187 E190 | R147-K151 VanDerWaalsContact O-CG 3.23Å; R147-K151 WeakPolarHBondContact O-CG 3.43Å; R147-K151 PolarHBondContact O-N 3.33Å; E148-K151 PolarHBondContact O-N 3.37Å; E148-K151 WeakPolarHBondContact OE1-CE 3.39Å; E148-K151 IonicContact OE1-NZ 3.22Å; E148-K151 PolarHBondContact OE1-NZ 3.38Å; L149-K151 VanDerWaalsContact C-N 3.29Å; L149-K151 PolarHBondContact O-N 3.49Å; K151-G155 WeakPolarHBondContact O-CA 3.36Å; K151-G155 PolarHBondContact O-N 3.43Å; K151-A187 HydrophobicContact CG-CB 4.35Å; K151-E190 WeakPolarHBondContact CD-OE2 3.45Å; K151-E190 WeakPolarHBondContact CE-OE2 3.23Å; K151-E190 IonicContact NZ-OE1 3.52Å; K151-E190 IonicContact NZ-OE2 3.74Å; K151-E190 PolarHBondContact NZ-OE2 3.49Å |
| 152 | L | 94.3 | Very high | 90 | Very high | 58 Ų | 58 | 38.4 Ų | 38.4 | 30% | 0.304 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.3 | -43.1 | 173.2 | -63.9 | 171.2 | 0 | 0 | 0 | 110.8 | N101 E148 L149 F150 G155 G156 | N101-L152 WeakPolarHBondContact OD1-CD1 3.34Å; E148-L152 PolarHBondContact O-N 3.41Å; L149-L152 HydrophobicContact CD1-CD1 4.42Å; L149-L152 VanDerWaalsContact O-CB 3.32Å; L149-L152 WeakPolarHBondContact O-CB 3.43Å; L149-L152 PolarHBondContact O-N 3.33Å; L149-L152 VanDerWaalsContact O-N 3.08Å; F150-L152 VanDerWaalsContact C-N 3.29Å; F150-L152 PolarHBondContact O-N 3.32Å; L152-G155 PolarHBondContact O-N 2.87Å; L152-G156 PolarHBondContact O-N 3.22Å |
| 153 | V | 96.1 | Very high | 91 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.8 | -56.3 | 176.1 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | L119 L122 M123 L149 F150 G155 G156 L157 F171 | L119-V153 HydrophobicContact CD1-CG1 3.64Å; L122-V153 HydrophobicContact CB-CG2 3.67Å; L122-V153 HydrophobicContact CD1-CG2 4.08Å; L122-V153 HydrophobicContact CG-CG2 4.36Å; M123-V153 HydrophobicContact SD-CG1 4.11Å; M123-V153 HydrophobicContact SD-CG2 4.46Å; L149-V153 PolarHBondContact O-N 3.42Å; F150-V153 WeakPolarHBondContact O-CB 3.17Å; F150-V153 PolarHBondContact O-N 3.49Å; V153-G155 VanDerWaalsContact C-N 3.27Å; V153-G155 PolarHBondContact O-N 3Å; V153-G156 PolarHBondContact O-N 3.3Å; V153-L157 HydrophobicContact CG1-CD1 4.1Å; V153-L157 WeakPolarHBondContact O-CG 3.38Å; V153-L157 PolarHBondContact O-N 3.08Å; V153-F171 HydrophobicContact CG1-CD2 4.5Å; V153-F171 HydrophobicContact CG1-CE2 3.99Å |
| 154 | V | 96.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.8 | -34 | -179 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | F150 L157 L158 A187 A188 L213 | F150-V154 HydrophobicContact CD1-CG2 4.03Å; F150-V154 HydrophobicContact CE1-CG2 3.74Å; F150-V154 HydrophobicContact CZ-CG2 4.39Å; F150-V154 PolarHBondContact O-N 2.75Å; V154-L157 PolarHBondContact O-N 3.35Å; V154-L158 HydrophobicContact CG1-CD1 3.93Å; V154-L158 HydrophobicContact CG1-CG 4.32Å; V154-L158 WeakPolarHBondContact O-CB 3.49Å; V154-L158 WeakPolarHBondContact O-CG 3.36Å; V154-L158 PolarHBondContact O-N 2.82Å; V154-A187 HydrophobicContact CB-CB 3.86Å; V154-A187 HydrophobicContact CG1-CB 3.98Å; V154-A187 HydrophobicContact CG2-CB 3.82Å; V154-A188 HydrophobicContact CG1-CB 4.5Å; V154-L213 HydrophobicContact CG1-CD2 4.2Å |
| 155 | G | 94.4 | Very high | 92.5 | Very high | 20 Ų | 20 | 41.7 Ų | 41.7 | 21% | 0.206 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K151 L152 V153 L158 | K151-G155 WeakPolarHBondContact O-CA 3.36Å; K151-G155 PolarHBondContact O-N 3.43Å; L152-G155 PolarHBondContact O-N 2.87Å; V153-G155 VanDerWaalsContact C-N 3.27Å; V153-G155 PolarHBondContact O-N 3Å; G155-L158 CarbonylContact O-C 3.51Å; G155-L158 PolarHBondContact O-N 3.01Å |
| 156 | G | 93.6 | Very high | 92.7 | Very high | 14 Ų | 14 | 46.4 Ų | 46.4 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70 | -36.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L152 V153 L158 S159 | L152-G156 PolarHBondContact O-N 3.22Å; V153-G156 PolarHBondContact O-N 3.3Å; G156-L158 VanDerWaalsContact C-N 3.26Å; G156-L158 PolarHBondContact O-N 3.45Å; G156-S159 PolarHBondContact O-N 3.38Å |
| 157 | L | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.7 | -32.2 | 173.3 | -68.6 | 173.2 | 0 | 0 | 0 | 112.5 | L119 V153 V154 S159 Q164 L167 L168 F171 | L119-L157 HydrophobicContact CD1-CD2 4.48Å; V153-L157 HydrophobicContact CG1-CD1 4.1Å; V153-L157 WeakPolarHBondContact O-CG 3.38Å; V153-L157 PolarHBondContact O-N 3.08Å; V154-L157 PolarHBondContact O-N 3.35Å; L157-S159 VanDerWaalsContact C-N 3.32Å; L157-S159 PolarHBondContact O-N 2.96Å; L157-Q164 WeakPolarHBondContact O-CB 3.4Å; L157-L167 HydrophobicContact CD2-CB 4.36Å; L157-L167 HydrophobicContact CD2-CD2 3.74Å; L157-L167 HydrophobicContact CD2-CG 3.69Å; L157-L168 HydrophobicContact CB-CD2 4.02Å; L157-L168 HydrophobicContact CD1-CD2 4.45Å; L157-L168 HydrophobicContact CD2-CD2 4.22Å; L157-L168 HydrophobicContact CG-CD2 4.47Å; L157-F171 HydrophobicContact CD1-CB 4.12Å; L157-F171 HydrophobicContact CD1-CD1 3.62Å; L157-F171 HydrophobicContact CD1-CD2 3.67Å; L157-F171 HydrophobicContact CD1-CE1 3.86Å; L157-F171 HydrophobicContact CD1-CE2 3.91Å; L157-F171 HydrophobicContact CD1-CG 3.51Å; L157-F171 HydrophobicContact CD1-CZ 3.99Å; L157-F171 HydrophobicContact CD2-CB 4.28Å |
| 158 | L | 95.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 40.9 | 177.2 | -59.1 | -176.7 | 0 | 0 | 0 | 111.6 | V154 G155 G156 A188 A191 F206 N209 L213 | V154-L158 HydrophobicContact CG1-CD1 3.93Å; V154-L158 HydrophobicContact CG1-CG 4.32Å; V154-L158 WeakPolarHBondContact O-CB 3.49Å; V154-L158 WeakPolarHBondContact O-CG 3.36Å; V154-L158 PolarHBondContact O-N 2.82Å; G155-L158 CarbonylContact O-C 3.51Å; G155-L158 PolarHBondContact O-N 3.01Å; G156-L158 VanDerWaalsContact C-N 3.26Å; G156-L158 PolarHBondContact O-N 3.45Å; L158-A188 HydrophobicContact CD1-CB 4.41Å; L158-A191 HydrophobicContact CD1-CB 3.78Å; L158-F206 HydrophobicContact CB-CD2 4.45Å; L158-F206 HydrophobicContact CB-CE2 3.89Å; L158-F206 WeakPolarHBondContact O-CD2 3.48Å; L158-F206 VanDerWaalsContact O-CE2 3.3Å; L158-F206 WeakPolarHBondContact O-CE2 3.48Å; L158-N209 HydrophobicContact CD2-CB 4.31Å; L158-L213 HydrophobicContact CD1-CD2 4.12Å; L158-L213 HydrophobicContact CD2-CB 4.15Å; L158-L213 HydrophobicContact CD2-CD2 3.78Å; L158-L213 HydrophobicContact CG-CD2 4.08Å |
| 159 | S | 91.9 | Very high | 93.4 | Very high | 18 Ų | 18 | 37.2 Ų | 37.2 | 13% | 0.126 | 21% | 0.208 | C | C | . | . | trans | -57.5 | 135.9 | 175.2 | 176.9 | 0 | 0 | 0 | 0 | 111 | G156 L157 E161 N209 | G156-S159 PolarHBondContact O-N 3.38Å; L157-S159 VanDerWaalsContact C-N 3.32Å; L157-S159 PolarHBondContact O-N 2.96Å; S159-E161 PolarHBondContact OG-N 3.41Å; S159-N209 PolarHBondContact O-ND2 2.9Å | ||
| 160 | P | 89.3 | Confident | 93.4 | Very high | 35 Ų | 35 | 39.8 Ų | 39.8 | 23% | 0.227 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -80.5 | -17.1 | 176.6 | 30.7 | -32 | 0 | 0 | 0 | 113.9 | P203 F206 | P160-P203 HydrophobicContact CB-CG 4.15Å; P160-P203 VanDerWaalsContact O-CB 3.23Å; P160-P203 WeakPolarHBondContact O-CB 3.35Å; P160-F206 HydrophobicContact CB-CB 4.22Å; P160-F206 HydrophobicContact CB-CD2 4.42Å |
| 161 | E | 88.1 | Confident | 93.5 | Very high | 173 Ų | 173 | 39.7 Ų | 39.7 | 81% | 0.808 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -97.9 | -35.9 | -170.7 | -66.8 | 174.9 | -174.2 | 0 | 0 | 112.7 | S159 | S159-E161 PolarHBondContact OG-N 3.41Š|
| 162 | E | 88.8 | Confident | 93.5 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -117.9 | 149.4 | -170.5 | -59.3 | -167.6 | 144.3 | 0 | 0 | 112.6 | G108 K115 Q164 N209 | G108-E162 WeakPolarHBondContact CA-OE2 3.32Å; K115-E162 WeakPolarHBondContact CE-OE2 3.4Å; K115-E162 IonicContact NZ-OE2 3.23Å; K115-E162 PolarHBondContact NZ-OE2 3.42Å; E162-Q164 PolarHBondContact O-N 2.84Å; E162-Q164 PolarHBondContact OE2-NE2 3.49Å; E162-N209 PolarHBondContact O-ND2 3.02Å |
| 163 | D | 91.6 | Very high | 93.4 | Very high | 106 Ų | 106 | 47.7 Ų | 47.7 | 57% | 0.567 | 25% | 0.25 | S | C | * | . | trans | -72.3 | 124.3 | 166.7 | 178 | 32.8 | 0 | 0 | 0 | 110.2 | S165 N209 | D163-S165 WeakPolarHBondContact OD1-CB 3.46Å; D163-S165 PolarHBondContact OD1-N 2.93Å; D163-S165 VanDerWaalsContact OD1-N 3.12Å; D163-S165 PolarHBondContact OD1-OG 3.11Å; D163-S165 PolarHBondContact OD2-OG 3.2Å; D163-N209 PolarHBondContact OD1-OD1 3.4Å | ||
| 164 | Q | 93.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.009 | 26% | 0.257 | C | S | . | . | trans | -111.7 | 17 | -177.6 | -66.3 | -69.9 | -8.4 | 0 | 0 | 111.9 | L107 L157 E162 L166 L167 L168 N209 | L107-Q164 PolarHBondContact O-NE2 3.46Å; L157-Q164 WeakPolarHBondContact O-CB 3.4Å; E162-Q164 PolarHBondContact O-N 2.84Å; E162-Q164 PolarHBondContact OE2-NE2 3.49Å; Q164-L166 VanDerWaalsContact C-N 3.31Å; Q164-L166 PolarHBondContact O-N 2.87Å; Q164-L167 PolarHBondContact O-N 3.19Å; Q164-L167 VanDerWaalsContact O-N 3.1Å; Q164-L167 VanDerWaalsContact OE1-CD2 3.24Å; Q164-L168 HydrophobicContact CB-CD1 4.39Å; Q164-L168 HydrophobicContact CB-CG 4.46Å; Q164-L168 WeakPolarHBondContact O-CB 3.37Å; Q164-L168 VanDerWaalsContact O-CG 3.32Å; Q164-L168 WeakPolarHBondContact O-CG 3.49Å; Q164-L168 PolarHBondContact O-N 3.01Å; Q164-N209 PolarHBondContact N-OD1 3.29Å | ||
| 165 | S | 92.7 | Very high | 93.1 | Very high | 44 Ų | 44 | 49.7 Ų | 49.7 | 31% | 0.308 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -52.7 | -42 | -177.2 | -66.7 | 0 | 0 | 0 | 0 | 114 | D163 S169 | D163-S165 WeakPolarHBondContact OD1-CB 3.46Å; D163-S165 PolarHBondContact OD1-N 2.93Å; D163-S165 VanDerWaalsContact OD1-N 3.12Å; D163-S165 PolarHBondContact OD1-OG 3.11Å; D163-S165 PolarHBondContact OD2-OG 3.2Å; S165-S169 PolarHBondContact O-N 2.89Å |
| 166 | L | 93.8 | Very high | 92.9 | Very high | 115 Ų | 115 | 53.9 Ų | 53.9 | 60% | 0.602 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -68.2 | -44.4 | 177.1 | -66.2 | 175.4 | 0 | 0 | 0 | 112.1 | F112 Q164 L168 S169 Q170 | F112-L166 HydrophobicContact CD2-CB 4.01Å; F112-L166 HydrophobicContact CD2-CD1 4.31Å; F112-L166 HydrophobicContact CE2-CB 3.52Å; F112-L166 HydrophobicContact CE2-CD1 4.49Å; F112-L166 HydrophobicContact CZ-CB 4.25Å; Q164-L166 VanDerWaalsContact C-N 3.31Å; Q164-L166 PolarHBondContact O-N 2.87Å; L166-L168 VanDerWaalsContact C-N 3.32Å; L166-L168 PolarHBondContact O-N 3.37Å; L166-S169 WeakPolarHBondContact O-CB 3.4Å; L166-S169 PolarHBondContact O-N 2.99Å; L166-S169 VanDerWaalsContact O-N 3.14Å; L166-S169 PolarHBondContact O-OG 3.34Å; L166-Q170 PolarHBondContact O-N 3.42Å |
| 167 | L | 94.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 179.3 | -168.1 | 64.4 | 0 | 0 | 0 | 111.4 | L107 K115 L119 L157 Q164 S169 Q170 F171 | L107-L167 HydrophobicContact CB-CD2 4.4Å; L107-L167 HydrophobicContact CD2-CD2 4.18Å; K115-L167 HydrophobicContact CB-CD1 4.08Å; K115-L167 HydrophobicContact CB-CD2 4.26Å; L119-L167 HydrophobicContact CB-CD1 3.98Å; L119-L167 HydrophobicContact CD2-CD1 3.57Å; L119-L167 HydrophobicContact CD2-CG 3.98Å; L119-L167 HydrophobicContact CG-CD1 4.38Å; L157-L167 HydrophobicContact CD2-CB 4.36Å; L157-L167 HydrophobicContact CD2-CD2 3.74Å; L157-L167 HydrophobicContact CD2-CG 3.69Å; Q164-L167 PolarHBondContact O-N 3.19Å; Q164-L167 VanDerWaalsContact O-N 3.1Å; Q164-L167 VanDerWaalsContact OE1-CD2 3.24Å; L167-S169 VanDerWaalsContact C-N 3.3Å; L167-S169 PolarHBondContact O-N 2.81Å; L167-Q170 PolarHBondContact O-N 2.97Å; L167-F171 PolarHBondContact O-N 3.46Å |
| 168 | L | 95.6 | Very high | 92.6 | Very high | 7 Ų | 7 | 57.4 Ų | 57.4 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.6 | -34.3 | 172.7 | -74.3 | 167.9 | 0 | 0 | 0 | 112.3 | L157 Q164 L166 F171 R172 N209 T212 L213 | L157-L168 HydrophobicContact CB-CD2 4.02Å; L157-L168 HydrophobicContact CD1-CD2 4.45Å; L157-L168 HydrophobicContact CD2-CD2 4.22Å; L157-L168 HydrophobicContact CG-CD2 4.47Å; Q164-L168 HydrophobicContact CB-CD1 4.39Å; Q164-L168 HydrophobicContact CB-CG 4.46Å; Q164-L168 WeakPolarHBondContact O-CB 3.37Å; Q164-L168 VanDerWaalsContact O-CG 3.32Å; Q164-L168 WeakPolarHBondContact O-CG 3.49Å; Q164-L168 PolarHBondContact O-N 3.01Å; L166-L168 VanDerWaalsContact C-N 3.32Å; L166-L168 PolarHBondContact O-N 3.37Å; L168-F171 PolarHBondContact O-N 3.09Å; L168-R172 PolarHBondContact O-N 3.48Å; L168-R172 VanDerWaalsContact O-N 3.12Å; L168-N209 HydrophobicContact CD1-CB 4.27Å; L168-N209 WeakPolarHBondContact CD1-O 3.35Å; L168-T212 HydrophobicContact CB-CG2 4.06Å; L168-T212 HydrophobicContact CD1-CG2 3.73Å; L168-L213 HydrophobicContact CD2-CB 3.84Å; L168-L213 HydrophobicContact CD2-CD1 3.77Å; L168-L213 HydrophobicContact CD2-CG 4.3Å |
| 169 | S | 94.2 | Very high | 92.4 | Very high | 67 Ų | 67 | 57.2 Ų | 57.2 | 47% | 0.469 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 174.8 | 77.9 | 0 | 0 | 0 | 0 | 112.3 | S165 L166 L167 R172 | S165-S169 PolarHBondContact O-N 2.89Å; L166-S169 WeakPolarHBondContact O-CB 3.4Å; L166-S169 PolarHBondContact O-N 2.99Å; L166-S169 VanDerWaalsContact O-N 3.14Å; L166-S169 PolarHBondContact O-OG 3.34Å; L167-S169 VanDerWaalsContact C-N 3.3Å; L167-S169 PolarHBondContact O-N 2.81Å; S169-R172 VanDerWaalsContact O-CB 3.25Å; S169-R172 WeakPolarHBondContact O-CB 3.41Å; S169-R172 PolarHBondContact O-N 2.63Å |
| 170 | Q | 94 | Very high | 92.4 | Very high | 66 Ų | 66 | 56.4 Ų | 56.4 | 31% | 0.308 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 172.2 | -64.4 | -63.6 | -10.1 | 0 | 0 | 111.5 | F112 L166 L167 R172 E173 | F112-Q170 HydrophobicContact CZ-CG 4.06Å; L166-Q170 PolarHBondContact O-N 3.42Å; L167-Q170 PolarHBondContact O-N 2.97Å; Q170-R172 PolarHBondContact O-N 3.12Å; Q170-R172 VanDerWaalsContact O-N 3.17Å; Q170-E173 PolarHBondContact O-N 3.22Å |
| 171 | F | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.2 | -22.1 | 179 | -173.9 | -106.4 | 0 | 0 | 0 | 113.4 | L119 M123 F150 V153 L157 L167 L168 E173 Y174 L175 T184 L213 | L119-F171 HydrophobicContact CD1-CD2 4.09Å; L119-F171 HydrophobicContact CD2-CB 4.22Å; L119-F171 HydrophobicContact CD2-CD2 4.46Å; M123-F171 HydrophobicContact CE-CE2 4.43Å; M123-F171 HydrophobicContact SD-CE2 3.87Å; F150-F171 HydrophobicContact CE2-CZ 4.43Å; F150-F171 AromaticContact CZ-CZ 3.97Å; F150-F171 HydrophobicContact CZ-CZ 3.97Å; V153-F171 HydrophobicContact CG1-CD2 4.5Å; V153-F171 HydrophobicContact CG1-CE2 3.99Å; L157-F171 HydrophobicContact CD1-CB 4.12Å; L157-F171 HydrophobicContact CD1-CD1 3.62Å; L157-F171 HydrophobicContact CD1-CD2 3.67Å; L157-F171 HydrophobicContact CD1-CE1 3.86Å; L157-F171 HydrophobicContact CD1-CE2 3.91Å; L157-F171 HydrophobicContact CD1-CG 3.51Å; L157-F171 HydrophobicContact CD1-CZ 3.99Å; L157-F171 HydrophobicContact CD2-CB 4.28Å; L167-F171 PolarHBondContact O-N 3.46Å; L168-F171 PolarHBondContact O-N 3.09Å; F171-E173 PolarHBondContact O-N 3Å; F171-Y174 AromaticContact CD2-CD2 3.65Å; F171-Y174 HydrophobicContact CD2-CD2 3.65Å; F171-Y174 HydrophobicContact CD2-CE2 4.44Å; F171-Y174 HydrophobicContact CD2-CG 4.47Å; F171-Y174 HydrophobicContact CE2-CD2 4.14Å; F171-Y174 HydrophobicContact CG-CD2 4.37Å; F171-Y174 WeakPolarHBondContact O-CB 3.45Å; F171-Y174 PolarHBondContact O-N 3.42Å; F171-L175 HydrophobicContact CD1-CD2 4.33Å; F171-L175 HydrophobicContact CD1-CG 4.26Å; F171-L175 HydrophobicContact CE1-CD2 3.75Å; F171-L175 HydrophobicContact CE1-CG 4.17Å; F171-T184 HydrophobicContact CE1-CG2 4.09Å; F171-L213 HydrophobicContact CD1-CD1 3.97Å; F171-L213 HydrophobicContact CE1-CD1 4.04Å |
| 172 | R | 94.2 | Very high | 92.9 | Very high | 150 Ų | 150 | 48 Ų | 48 | 57% | 0.566 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -58 | -33.8 | -179.4 | -172.5 | 178.3 | 175.8 | -176.1 | -2 | 112.9 | L168 S169 Q170 Y174 L175 | L168-R172 PolarHBondContact O-N 3.48Å; L168-R172 VanDerWaalsContact O-N 3.12Å; S169-R172 VanDerWaalsContact O-CB 3.25Å; S169-R172 WeakPolarHBondContact O-CB 3.41Å; S169-R172 PolarHBondContact O-N 2.63Å; Q170-R172 PolarHBondContact O-N 3.12Å; Q170-R172 VanDerWaalsContact O-N 3.17Å; R172-Y174 PolarHBondContact O-N 3.07Å; R172-L175 WeakPolarHBondContact O-CB 3.19Å; R172-L175 PolarHBondContact O-N 3.1Å |
| 173 | E | 92.4 | Very high | 93.2 | Very high | 124 Ų | 124 | 45.7 Ų | 45.7 | 58% | 0.579 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -59.5 | -33.5 | 176.6 | -60.6 | -173.8 | 169.1 | 0 | 0 | 111.8 | Q170 F171 L175 | Q170-E173 PolarHBondContact O-N 3.22Å; F171-E173 PolarHBondContact O-N 3Å; E173-L175 VanDerWaalsContact C-N 3.3Å; E173-L175 PolarHBondContact O-N 2.91Å |
| 174 | Y | 93.8 | Very high | 93.5 | Very high | 39 Ų | 39 | 40.6 Ų | 40.6 | 15% | 0.153 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -73.8 | -21.9 | 175.9 | -56.4 | -65.2 | 0 | 0 | 0 | 112.4 | M123 F171 R172 D176 Y177 T180 Y230 | M123-Y174 HydrophobicContact CB-CE1 4.15Å; M123-Y174 HydrophobicContact CB-CE2 4.29Å; M123-Y174 HydrophobicContact CE-CD1 3.81Å; M123-Y174 HydrophobicContact CE-CD2 4.18Å; M123-Y174 HydrophobicContact CE-CE1 4.34Å; M123-Y174 HydrophobicContact CE-CG 3.73Å; M123-Y174 HydrophobicContact CG-CD2 4.02Å; M123-Y174 HydrophobicContact CG-CE1 4.33Å; M123-Y174 HydrophobicContact CG-CE2 3.75Å; M123-Y174 HydrophobicContact CG-CG 4.44Å; F171-Y174 AromaticContact CD2-CD2 3.65Å; F171-Y174 HydrophobicContact CD2-CD2 3.65Å; F171-Y174 HydrophobicContact CD2-CE2 4.44Å; F171-Y174 HydrophobicContact CD2-CG 4.47Å; F171-Y174 HydrophobicContact CE2-CD2 4.14Å; F171-Y174 HydrophobicContact CG-CD2 4.37Å; F171-Y174 WeakPolarHBondContact O-CB 3.45Å; F171-Y174 PolarHBondContact O-N 3.42Å; R172-Y174 PolarHBondContact O-N 3.07Å; Y174-D176 PolarHBondContact O-N 2.84Å; Y174-Y177 WeakPolarHBondContact O-CD2 3.42Å; Y174-Y177 PolarHBondContact O-N 3.46Å; Y174-T180 VanDerWaalsContact O-CB 3.3Å; Y174-T180 WeakPolarHBondContact O-CB 3.49Å; Y174-T180 PolarHBondContact O-OG1 2.88Å; Y174-Y230 HydrophobicContact CD1-CD2 4.31Å; Y174-Y230 AromaticContact CD1-CE2 3.78Å; Y174-Y230 HydrophobicContact CD1-CE2 3.78Å; Y174-Y230 AromaticContact CE1-CE2 3.9Å; Y174-Y230 HydrophobicContact CE1-CE2 3.9Å |
| 175 | L | 93.3 | Very high | 93.6 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -73.7 | -8.5 | 178.8 | -62.8 | 177.9 | 0 | 0 | 0 | 113.6 | F171 R172 E173 Y177 T184 A216 V217 | F171-L175 HydrophobicContact CD1-CD2 4.33Å; F171-L175 HydrophobicContact CD1-CG 4.26Å; F171-L175 HydrophobicContact CE1-CD2 3.75Å; F171-L175 HydrophobicContact CE1-CG 4.17Å; R172-L175 WeakPolarHBondContact O-CB 3.19Å; R172-L175 PolarHBondContact O-N 3.1Å; E173-L175 VanDerWaalsContact C-N 3.3Å; E173-L175 PolarHBondContact O-N 2.91Å; L175-Y177 PolarHBondContact O-N 3.29Å; L175-T184 HydrophobicContact CD2-CG2 3.99Å; L175-A216 HydrophobicContact CD1-CB 3.87Å; L175-V217 HydrophobicContact CD1-CG2 4.16Å; L175-V217 HydrophobicContact CD2-CG2 4.41Å |
| 176 | D | 90.1 | Very high | 93.8 | Very high | 107 Ų | 107 | 41.1 Ų | 41.1 | 57% | 0.572 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -71.5 | -22.2 | 173.9 | -71 | -19.1 | 0 | 0 | 0 | 112.1 | Y174 | Y174-D176 PolarHBondContact O-N 2.84Š|
| 177 | Y | 91.4 | Very high | 93.9 | Very high | 79 Ų | 79 | 36 Ų | 36 | 31% | 0.31 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -84.4 | 142.3 | 174.8 | -53.4 | -85 | 0 | 0 | 0 | 112 | Y174 L175 D179 T180 R181 S228 Y230 | Y174-Y177 WeakPolarHBondContact O-CD2 3.42Å; Y174-Y177 PolarHBondContact O-N 3.46Å; L175-Y177 PolarHBondContact O-N 3.29Å; Y177-D179 WeakPolarHBondContact CB-OD1 3.18Å; Y177-D179 PolarHBondContact O-N 3.46Å; Y177-T180 WeakPolarHBondContact CB-OG1 3.44Å; Y177-T180 PolarHBondContact O-OG1 3.42Å; Y177-R181 WeakPolarHBondContact O-CB 3.37Å; Y177-R181 PolarHBondContact O-N 2.91Å; Y177-R181 VanDerWaalsContact O-N 3.07Å; Y177-S228 CarbonylContact C-O 3.58Å; Y177-S228 VanDerWaalsContact CA-O 3.26Å; Y177-S228 WeakPolarHBondContact CA-O 2.99Å; Y177-S228 WeakPolarHBondContact CB-O 3.48Å; Y177-S228 VanDerWaalsContact CD1-OG 3.28Å; Y177-S228 WeakPolarHBondContact CD1-OG 3.43Å; Y177-Y230 AromaticContact CD2-CD2 3.72Å; Y177-Y230 HydrophobicContact CD2-CD2 3.72Å; Y177-Y230 HydrophobicContact CD2-CG 4.23Å; Y177-Y230 AromaticContact CE2-CD2 3.6Å; Y177-Y230 HydrophobicContact CE2-CD2 3.6Å; Y177-Y230 HydrophobicContact CE2-CE2 4.31Å; Y177-Y230 HydrophobicContact CG-CD2 4.24Å; Y177-Y230 HydrophobicContact CG-CG 4.45Å |
| 178 | D | 89.7 | Confident | 94 | Very high | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.048 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.4 | -39.4 | -174.6 | -69.8 | -50.6 | 0 | 0 | 0 | 112.6 | R181 Y182 S227 S228 F229 H248 | D178-R181 IonicContact OD1-CZ 3.7Å; D178-R181 IonicContact OD1-NH2 4Å; D178-R181 PolarHBondContact OD1-NH2 3.47Å; D178-Y182 VanDerWaalsContact O-CB 3.27Å; D178-Y182 WeakPolarHBondContact O-CB 3.3Å; D178-Y182 PolarHBondContact O-N 2.93Å; D178-S227 VanDerWaalsContact OD2-CA 3.3Å; D178-S227 WeakPolarHBondContact OD2-CA 3.22Å; D178-S227 WeakPolarHBondContact OD2-CB 3.41Å; D178-S228 PolarHBondContact N-O 3.39Å; D178-S228 PolarHBondContact OD2-N 3.03Å; D178-F229 HydrophobicContact CB-CD1 4.11Å; D178-F229 HydrophobicContact CB-CE1 3.93Å; D178-H248 PolarHBondContact O-CE1 3.29Å |
| 179 | D | 90.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.9 | -51.4 | -178.2 | 51 | -9.3 | 0 | 0 | 0 | 114.2 | Y143 F145 Y177 R181 Y182 H183 F229 Y230 V231 V242 | Y143-D179 WeakPolarHBondContact OH-CB 3.31Å; Y143-D179 PolarHBondContact OH-OD2 2.83Å; F145-D179 HydrophobicContact CE2-CB 4.42Å; Y177-D179 WeakPolarHBondContact CB-OD1 3.18Å; Y177-D179 PolarHBondContact O-N 3.46Å; D179-R181 VanDerWaalsContact C-N 3.31Å; D179-R181 PolarHBondContact O-N 2.94Å; D179-Y182 PolarHBondContact O-N 3.21Å; D179-H183 WeakPolarHBondContact O-CB 3.32Å; D179-H183 PolarHBondContact O-CD2 3.29Å; D179-H183 VanDerWaalsContact O-CD2 3.24Å; D179-H183 PolarHBondContact O-N 2.62Å; D179-F229 HydrophobicContact CB-CD1 4.12Å; D179-Y230 WeakPolarHBondContact OD1-CB 3.38Å; D179-Y230 PolarHBondContact OD1-N 3.17Å; D179-Y230 PolarHBondContact OD2-N 3.3Å; D179-Y230 VanDerWaalsContact OD2-N 3.17Å; D179-V231 WeakPolarHBondContact OD2-CB 3.3Å; D179-V231 PolarHBondContact OD2-N 3.36Å; D179-V242 HydrophobicContact CB-CG1 3.75Å |
| 180 | T | 93.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.8 | -43.7 | 174 | 51.1 | 0 | 0 | 0 | 0 | 110.8 | M123 F150 Y174 Y177 T184 Y230 | M123-T180 HydrophobicContact CE-CG2 4.07Å; F150-T180 HydrophobicContact CE2-CG2 4.47Å; Y174-T180 VanDerWaalsContact O-CB 3.3Å; Y174-T180 WeakPolarHBondContact O-CB 3.49Å; Y174-T180 PolarHBondContact O-OG1 2.88Å; Y177-T180 WeakPolarHBondContact CB-OG1 3.44Å; Y177-T180 PolarHBondContact O-OG1 3.42Å; T180-T184 WeakPolarHBondContact O-CB 3.27Å; T180-T184 PolarHBondContact O-N 3.37Å; T180-T184 PolarHBondContact O-OG1 3.47Å; T180-Y230 HydrophobicContact CG2-CD1 3.9Å; T180-Y230 HydrophobicContact CG2-CG 3.83Å |
| 181 | R | 94.1 | Very high | 94.2 | Very high | 17 Ų | 17 | 35.1 Ų | 35.1 | 6% | 0.064 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.7 | -50.9 | 176.9 | 177.4 | 165.3 | 57.7 | -145.1 | -18 | 111.7 | Y177 D178 D179 H183 T184 M185 V217 S218 | Y177-R181 WeakPolarHBondContact O-CB 3.37Å; Y177-R181 PolarHBondContact O-N 2.91Å; Y177-R181 VanDerWaalsContact O-N 3.07Å; D178-R181 IonicContact OD1-CZ 3.7Å; D178-R181 IonicContact OD1-NH2 4Å; D178-R181 PolarHBondContact OD1-NH2 3.47Å; D179-R181 VanDerWaalsContact C-N 3.31Å; D179-R181 PolarHBondContact O-N 2.94Å; R181-H183 PolarHBondContact O-N 3.38Å; R181-T184 PolarHBondContact O-N 3.4Å; R181-M185 HydrophobicContact CG-CE 4.17Å; R181-M185 WeakPolarHBondContact O-CG 3.33Å; R181-M185 PolarHBondContact O-N 3.17Å; R181-M185 VanDerWaalsContact O-N 3.17Å; R181-V217 HydrophobicContact CG-CG1 4.05Å; R181-S218 VanDerWaalsContact CD-O 3.27Å; R181-S218 WeakPolarHBondContact CD-O 3.47Å; R181-S218 PolarHBondContact NH1-O 3.31Å |
| 182 | Y | 93.6 | Very high | 94.1 | Very high | 16 Ų | 16 | 35.3 Ų | 35.3 | 6% | 0.063 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59 | -48.1 | 179.6 | -175.7 | -98.3 | 0 | 0 | 0 | 112 | D178 D179 M185 Q186 V242 E247 A251 | D178-Y182 VanDerWaalsContact O-CB 3.27Å; D178-Y182 WeakPolarHBondContact O-CB 3.3Å; D178-Y182 PolarHBondContact O-N 2.93Å; D179-Y182 PolarHBondContact O-N 3.21Å; Y182-M185 HydrophobicContact CD2-CE 4.49Å; Y182-M185 PolarHBondContact O-N 3Å; Y182-Q186 VanDerWaalsContact CE1-CD 3.47Å; Y182-Q186 HydrophobicContact CE1-CG 4.42Å; Y182-Q186 PolarHBondContact O-N 3.46Å; Y182-Q186 PolarHBondContact OH-NE2 3.07Å; Y182-V242 HydrophobicContact CD1-CG2 3.82Å; Y182-V242 HydrophobicContact CE1-CG2 4.24Å; Y182-V242 HydrophobicContact CG-CG2 4.29Å; Y182-E247 HydrophobicContact CE2-CB 4.12Å; Y182-A251 HydrophobicContact CD2-CB 4.17Å; Y182-A251 HydrophobicContact CE2-CB 3.96Å |
| 183 | H | 94.9 | Very high | 94.1 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 2% | 0.023 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -73.4 | -26.3 | -179.5 | -72.8 | -53.6 | 0 | 0 | 0 | 113.3 | Y143 F145 F150 D179 R181 Q186 A187 | Y143-H183 AromaticContact CE1-NE2 3.59Å; F145-H183 WeakPolarHBondContact CB-NE2 3.38Å; F145-H183 HydrophobicContact CD1-CB 4.07Å; F145-H183 AromaticContact CD1-CD2 3.28Å; F145-H183 WeakPolarHBondContact CD1-CD2 3.3Å; F145-H183 AromaticContact CD1-CG 3.55Å; F145-H183 AromaticContact CD1-NE2 3.75Å; F145-H183 AromaticContact CD2-CD2 3.52Å; F145-H183 HydrophobicContact CE1-CB 3.57Å; F145-H183 AromaticContact CE1-CD2 3.55Å; F145-H183 AromaticContact CE1-CG 3.59Å; F145-H183 AromaticContact CE2-CD2 3.79Å; F145-H183 AromaticContact CG-CD2 3.25Å; F145-H183 WeakPolarHBondContact CG-CD2 3.4Å; F145-H183 AromaticContact CG-NE2 3.48Å; F145-H183 WeakPolarHBondContact CG-NE2 3.23Å; F145-H183 HydrophobicContact CZ-CB 3.94Å; F145-H183 AromaticContact CZ-CD2 3.8Å; F150-H183 HydrophobicContact CD1-CB 4Å; F150-H183 HydrophobicContact CE1-CB 3.97Å; D179-H183 WeakPolarHBondContact O-CB 3.32Å; D179-H183 PolarHBondContact O-CD2 3.29Å; D179-H183 VanDerWaalsContact O-CD2 3.24Å; D179-H183 PolarHBondContact O-N 2.62Å; R181-H183 PolarHBondContact O-N 3.38Å; H183-Q186 PolarHBondContact ND1-OE1 3.49Å; H183-Q186 PolarHBondContact O-N 3.07Å; H183-A187 VanDerWaalsContact O-CB 3.27Å; H183-A187 WeakPolarHBondContact O-CB 3.46Å; H183-A187 PolarHBondContact O-N 3.39Å |
| 184 | T | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.1 | -45.9 | 171.8 | -62.6 | 0 | 0 | 0 | 0 | 110.4 | F150 F171 L175 T180 R181 Q186 A187 A188 L213 | F150-T184 WeakPolarHBondContact CE1-OG1 3.45Å; F150-T184 WeakPolarHBondContact CZ-OG1 3.47Å; F171-T184 HydrophobicContact CE1-CG2 4.09Å; L175-T184 HydrophobicContact CD2-CG2 3.99Å; T180-T184 WeakPolarHBondContact O-CB 3.27Å; T180-T184 PolarHBondContact O-N 3.37Å; T180-T184 PolarHBondContact O-OG1 3.47Å; R181-T184 PolarHBondContact O-N 3.4Å; T184-Q186 VanDerWaalsContact C-N 3.29Å; T184-Q186 PolarHBondContact O-N 3.21Å; T184-A187 PolarHBondContact O-N 3.15Å; T184-A188 VanDerWaalsContact O-CB 3.23Å; T184-A188 WeakPolarHBondContact O-CB 3.28Å; T184-A188 PolarHBondContact O-N 3.23Å; T184-L213 HydrophobicContact CG2-CD1 3.9Å; T184-L213 HydrophobicContact CG2-CD2 4.03Å; T184-L213 HydrophobicContact CG2-CG 4.18Å |
| 185 | M | 96.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.8 | -41.6 | 178.3 | -65.1 | -175.9 | -76.9 | 0 | 0 | 111.7 | R181 Y182 V189 V217 L219 H248 A251 F252 M255 | R181-M185 HydrophobicContact CG-CE 4.17Å; R181-M185 WeakPolarHBondContact O-CG 3.33Å; R181-M185 PolarHBondContact O-N 3.17Å; R181-M185 VanDerWaalsContact O-N 3.17Å; Y182-M185 HydrophobicContact CD2-CE 4.49Å; Y182-M185 PolarHBondContact O-N 3Å; M185-V189 WeakPolarHBondContact O-CG2 3.45Å; M185-V189 PolarHBondContact O-N 2.83Å; M185-V217 HydrophobicContact CG-CG1 4.12Å; M185-V217 HydrophobicContact SD-CG1 3.97Å; M185-L219 HydrophobicContact CE-CD2 4.47Å; M185-H248 HydrophobicContact CE-CB 4.34Å; M185-A251 HydrophobicContact CB-CB 4.13Å; M185-A251 HydrophobicContact CE-CB 3.8Å; M185-A251 HydrophobicContact SD-CB 4.13Å; M185-F252 WeakPolarHBondContact SD-CA 3.35Å; M185-F252 HydrophobicContact SD-CB 3.61Å; M185-F252 HydrophobicContact SD-CD2 4.07Å; M185-F252 HydrophobicContact SD-CG 4.35Å; M185-F252 PolarHBondContact SD-N 3.27Å; M185-F252 VanDerWaalsContact SD-N 3.36Å; M185-M255 HydrophobicContact CB-CB 4.35Å; M185-M255 HydrophobicContact CB-SD 3.95Å; M185-M255 HydrophobicContact CG-CE 3.95Å; M185-M255 HydrophobicContact CG-SD 3.69Å; M185-M255 HydrophobicContact SD-CE 4.37Å |
| 186 | Q | 95.7 | Very high | 94 | Very high | 55 Ų | 55 | 29.3 Ų | 29.3 | 26% | 0.257 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -67.4 | -48.7 | 177.2 | -66.3 | -177 | -32.7 | 0 | 0 | 112.3 | Y182 H183 T184 A188 V189 E190 | Y182-Q186 VanDerWaalsContact CE1-CD 3.47Å; Y182-Q186 HydrophobicContact CE1-CG 4.42Å; Y182-Q186 PolarHBondContact O-N 3.46Å; Y182-Q186 PolarHBondContact OH-NE2 3.07Å; H183-Q186 PolarHBondContact ND1-OE1 3.49Å; H183-Q186 PolarHBondContact O-N 3.07Å; T184-Q186 VanDerWaalsContact C-N 3.29Å; T184-Q186 PolarHBondContact O-N 3.21Å; Q186-A188 VanDerWaalsContact C-N 3.3Å; Q186-A188 PolarHBondContact O-N 3.26Å; Q186-V189 WeakPolarHBondContact O-CB 3.25Å; Q186-V189 PolarHBondContact O-N 3.34Å; Q186-E190 PolarHBondContact O-N 2.87Å; Q186-E190 VanDerWaalsContact O-N 3.15Å |
| 187 | A | 96.5 | Very high | 93.9 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 6% | 0.058 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.3 | -34.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F150 K151 V154 H183 T184 E190 A191 | F150-A187 HydrophobicContact CD1-CB 4.41Å; K151-A187 HydrophobicContact CG-CB 4.35Å; V154-A187 HydrophobicContact CB-CB 3.86Å; V154-A187 HydrophobicContact CG1-CB 3.98Å; V154-A187 HydrophobicContact CG2-CB 3.82Å; H183-A187 VanDerWaalsContact O-CB 3.27Å; H183-A187 WeakPolarHBondContact O-CB 3.46Å; H183-A187 PolarHBondContact O-N 3.39Å; T184-A187 PolarHBondContact O-N 3.15Å; A187-E190 PolarHBondContact O-N 2.78Å; A187-A191 VanDerWaalsContact O-CB 3.29Å; A187-A191 WeakPolarHBondContact O-CB 3.48Å; A187-A191 PolarHBondContact O-N 2.94Å |
| 188 | A | 96.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.4 | -41.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V154 L158 T184 Q186 E190 A191 V192 L213 L214 M255 | V154-A188 HydrophobicContact CG1-CB 4.5Å; L158-A188 HydrophobicContact CD1-CB 4.41Å; T184-A188 VanDerWaalsContact O-CB 3.23Å; T184-A188 WeakPolarHBondContact O-CB 3.28Å; T184-A188 PolarHBondContact O-N 3.23Å; Q186-A188 VanDerWaalsContact C-N 3.3Å; Q186-A188 PolarHBondContact O-N 3.26Å; A188-E190 PolarHBondContact O-N 3.41Å; A188-A191 PolarHBondContact O-N 3.09Å; A188-V192 VanDerWaalsContact O-CG2 3.3Å; A188-V192 WeakPolarHBondContact O-CG2 3.46Å; A188-V192 PolarHBondContact O-N 3.01Å; A188-L213 HydrophobicContact CB-CD2 4.28Å; A188-L214 HydrophobicContact CB-CD1 4.27Å; A188-M255 HydrophobicContact CB-CG 4.45Å; A188-M255 HydrophobicContact CB-SD 4.39Å |
| 189 | V | 96.9 | Very high | 93.4 | Very high | 34 Ų | 34 | 33.1 Ų | 33.1 | 21% | 0.206 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.2 | -47.6 | 174.4 | 171.4 | 0 | 0 | 0 | 0 | 111 | M185 Q186 V192 A193 T254 M255 | M185-V189 WeakPolarHBondContact O-CG2 3.45Å; M185-V189 PolarHBondContact O-N 2.83Å; Q186-V189 WeakPolarHBondContact O-CB 3.25Å; Q186-V189 PolarHBondContact O-N 3.34Å; V189-V192 PolarHBondContact O-N 3.13Å; V189-A193 WeakPolarHBondContact O-CB 3.46Å; V189-A193 PolarHBondContact O-N 2.91Å; V189-T254 HydrophobicContact CG2-CG2 4.31Å; V189-M255 VanDerWaalsContact CG2-CA 3.48Å; V189-M255 HydrophobicContact CG2-CB 4.06Å |
| 190 | E | 95.5 | Very high | 92.9 | Very high | 87 Ų | 87 | 39.7 Ų | 39.7 | 41% | 0.407 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.1 | -41.3 | 178.2 | -69.5 | -177.2 | -153.3 | 0 | 0 | 112 | K151 Q186 A187 A188 A193 R194 | K151-E190 WeakPolarHBondContact CD-OE2 3.45Å; K151-E190 WeakPolarHBondContact CE-OE2 3.23Å; K151-E190 IonicContact NZ-OE1 3.52Å; K151-E190 IonicContact NZ-OE2 3.74Å; K151-E190 PolarHBondContact NZ-OE2 3.49Å; Q186-E190 PolarHBondContact O-N 2.87Å; Q186-E190 VanDerWaalsContact O-N 3.15Å; A187-E190 PolarHBondContact O-N 2.78Å; A188-E190 PolarHBondContact O-N 3.41Å; E190-A193 PolarHBondContact O-N 2.91Å; E190-R194 WeakPolarHBondContact O-CB 3.44Å; E190-R194 PolarHBondContact O-N 3.44Å |
| 191 | A | 94.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L158 A187 A188 A193 R194 V195 | L158-A191 HydrophobicContact CD1-CB 3.78Å; A187-A191 VanDerWaalsContact O-CB 3.29Å; A187-A191 WeakPolarHBondContact O-CB 3.48Å; A187-A191 PolarHBondContact O-N 2.94Å; A188-A191 PolarHBondContact O-N 3.09Å; A191-A193 PolarHBondContact O-N 3.33Å; A191-R194 PolarHBondContact O-N 2.96Å; A191-V195 WeakPolarHBondContact O-CG2 3.42Å; A191-V195 PolarHBondContact O-N 2.78Å |
| 192 | V | 94.9 | Very high | 92.4 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.024 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 174.7 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | A188 V189 R194 T196 F206 T210 | A188-V192 VanDerWaalsContact O-CG2 3.3Å; A188-V192 WeakPolarHBondContact O-CG2 3.46Å; A188-V192 PolarHBondContact O-N 3.01Å; V189-V192 PolarHBondContact O-N 3.13Å; V192-R194 VanDerWaalsContact C-N 3.35Å; V192-R194 PolarHBondContact O-N 3.39Å; V192-T196 HydrophobicContact CG1-CG2 4.18Å; V192-T196 VanDerWaalsContact O-CB 3.3Å; V192-T196 WeakPolarHBondContact O-CB 3.4Å; V192-T196 WeakPolarHBondContact O-CG2 3.4Å; V192-T196 PolarHBondContact O-N 2.8Å; V192-T196 PolarHBondContact O-OG1 3.36Å; V192-F206 HydrophobicContact CG2-CE1 4.26Å; V192-F206 HydrophobicContact CG2-CZ 4.13Å; V192-T210 HydrophobicContact CG2-CG2 3.76Å |
| 193 | A | 94.1 | Very high | 92.3 | Very high | 47 Ų | 47 | 49.5 Ų | 49.5 | 39% | 0.388 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62 | -41.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V189 E190 A191 T196 G197 | V189-A193 WeakPolarHBondContact O-CB 3.46Å; V189-A193 PolarHBondContact O-N 2.91Å; E190-A193 PolarHBondContact O-N 2.91Å; A191-A193 PolarHBondContact O-N 3.33Å; A193-T196 PolarHBondContact O-OG1 3.28Å; A193-G197 PolarHBondContact O-N 2.87Å |
| 194 | R | 93.3 | Very high | 92.2 | Very high | 102 Ų | 102 | 53.5 Ų | 53.5 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.6 | -52.5 | 177.8 | -177.1 | 179.6 | 65.1 | -118.9 | 0.5 | 111.8 | E190 A191 V192 G197 Q198 | E190-R194 WeakPolarHBondContact O-CB 3.44Å; E190-R194 PolarHBondContact O-N 3.44Å; A191-R194 PolarHBondContact O-N 2.96Å; V192-R194 VanDerWaalsContact C-N 3.35Å; V192-R194 PolarHBondContact O-N 3.39Å; R194-G197 PolarHBondContact O-N 3.32Å; R194-Q198 WeakPolarHBondContact O-CB 3.44Å; R194-Q198 VanDerWaalsContact O-CG 3.3Å; R194-Q198 WeakPolarHBondContact O-CG 3.2Å; R194-Q198 PolarHBondContact O-N 3.02Å |
| 195 | V | 92.1 | Very high | 91.9 | Very high | 11 Ų | 11 | 54.6 Ų | 54.6 | 7% | 0.067 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.9 | -41.6 | -176.1 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | A191 G197 Q198 H199 V202 F206 | A191-V195 WeakPolarHBondContact O-CG2 3.42Å; A191-V195 PolarHBondContact O-N 2.78Å; V195-G197 VanDerWaalsContact C-N 3.3Å; V195-G197 PolarHBondContact O-N 3.27Å; V195-Q198 PolarHBondContact O-N 2.93Å; V195-H199 WeakPolarHBondContact O-CB 3.37Å; V195-H199 PolarHBondContact O-CD2 3.5Å; V195-H199 PolarHBondContact O-N 3.08Å; V195-V202 HydrophobicContact CG1-CG1 4.04Å; V195-V202 HydrophobicContact CG1-CG2 4.44Å; V195-F206 HydrophobicContact CB-CD2 4.42Å; V195-F206 HydrophobicContact CB-CE1 4.23Å; V195-F206 HydrophobicContact CB-CE2 3.88Å; V195-F206 HydrophobicContact CB-CZ 3.77Å; V195-F206 HydrophobicContact CG1-CD1 4.16Å; V195-F206 HydrophobicContact CG1-CD2 3.96Å; V195-F206 HydrophobicContact CG1-CE1 4.1Å; V195-F206 HydrophobicContact CG1-CE2 3.93Å; V195-F206 HydrophobicContact CG1-CG 4.08Å; V195-F206 HydrophobicContact CG1-CZ 3.99Å; V195-F206 HydrophobicContact CG2-CD2 4.24Å; V195-F206 HydrophobicContact CG2-CE2 3.6Å; V195-F206 HydrophobicContact CG2-CZ 3.93Å |
| 196 | T | 91.3 | Very high | 91.9 | Very high | 33 Ų | 33 | 54.6 Ų | 54.6 | 20% | 0.202 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -71.4 | -23.3 | 177.8 | 58.6 | 0 | 0 | 0 | 0 | 113.4 | V192 A193 V202 W207 H262 | V192-T196 HydrophobicContact CG1-CG2 4.18Å; V192-T196 VanDerWaalsContact O-CB 3.3Å; V192-T196 WeakPolarHBondContact O-CB 3.4Å; V192-T196 WeakPolarHBondContact O-CG2 3.4Å; V192-T196 PolarHBondContact O-N 2.8Å; V192-T196 PolarHBondContact O-OG1 3.36Å; A193-T196 PolarHBondContact O-OG1 3.28Å; T196-V202 HydrophobicContact CG2-CG2 3.91Å; T196-W207 HydrophobicContact CG2-CH2 3.79Å; T196-W207 HydrophobicContact CG2-CZ2 4.2Å; T196-H262 VanDerWaalsContact CG2-CE1 3.45Å; T196-H262 WeakPolarHBondContact CG2-CE1 3.46Å; T196-H262 PolarHBondContact OG1-CE1 3.48Å |
| 197 | G | 89.4 | Confident | 91.8 | Very high | 69 Ų | 69 | 52.7 Ų | 52.7 | 71% | 0.711 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -80.5 | -28.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A193 R194 V195 | A193-G197 PolarHBondContact O-N 2.87Å; R194-G197 PolarHBondContact O-N 3.32Å; V195-G197 VanDerWaalsContact C-N 3.3Å; V195-G197 PolarHBondContact O-N 3.27Å |
| 198 | Q | 88.9 | Confident | 91.8 | Very high | 128 Ų | 128 | 54.7 Ų | 54.7 | 60% | 0.598 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -87.4 | -33.7 | -179.7 | -72.7 | 173.6 | -18.1 | 0 | 0 | 113 | R194 V195 | R194-Q198 WeakPolarHBondContact O-CB 3.44Å; R194-Q198 VanDerWaalsContact O-CG 3.3Å; R194-Q198 WeakPolarHBondContact O-CG 3.2Å; R194-Q198 PolarHBondContact O-N 3.02Å; V195-Q198 PolarHBondContact O-N 2.93Å |
| 199 | H | 81.4 | Confident | 91.7 | Very high | 77 Ų | 77 | 54.7 Ų | 54.7 | 36% | 0.356 | 31% | 0.313 | S | S | . | . | trans | -112.6 | 121 | -176.3 | -64.2 | -85.5 | 0 | 0 | 0 | 111.2 | V195 E201 V202 | V195-H199 WeakPolarHBondContact O-CB 3.37Å; V195-H199 PolarHBondContact O-CD2 3.5Å; V195-H199 PolarHBondContact O-N 3.08Å; H199-E201 VanDerWaalsContact C-N 3.31Å; H199-E201 PolarHBondContact O-N 3.25Å; H199-V202 HydrophobicContact CB-CG2 4.33Å | ||
| 200 | P | 79.1 | Confident | 91.7 | Very high | 138 Ų | 138 | 53 Ų | 53 | 90% | 0.896 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -65.5 | -35.7 | 175.1 | 24.8 | -31.5 | 0 | 0 | 0 | 112 | ||
| 201 | E | 87.4 | Confident | 91.8 | Very high | 174 Ų | 174 | 49.9 Ų | 49.9 | 81% | 0.813 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -118.5 | 115.6 | 170.1 | -69.9 | -170.3 | 164.4 | 0 | 0 | 109.6 | H199 | H199-E201 VanDerWaalsContact C-N 3.31Å; H199-E201 PolarHBondContact O-N 3.25Å |
| 202 | V | 90.6 | Very high | 91.8 | Very high | 25 Ų | 25 | 52.1 Ų | 52.1 | 15% | 0.152 | 30% | 0.302 | C | S | . | . | trans | -86.4 | 128.3 | -176.9 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | V195 T196 H199 F206 W207 | V195-V202 HydrophobicContact CG1-CG1 4.04Å; V195-V202 HydrophobicContact CG1-CG2 4.44Å; T196-V202 HydrophobicContact CG2-CG2 3.91Å; H199-V202 HydrophobicContact CB-CG2 4.33Å; V202-F206 HydrophobicContact CG1-CB 3.82Å; V202-F206 HydrophobicContact CG1-CD1 3.33Å; V202-F206 HydrophobicContact CG1-CE1 4.16Å; V202-F206 HydrophobicContact CG1-CG 3.8Å; V202-W207 HydrophobicContact CB-CZ2 3.77Å; V202-W207 HydrophobicContact CG1-CD2 4.28Å; V202-W207 HydrophobicContact CG1-CZ2 3.86Å; V202-W207 HydrophobicContact CG2-CZ2 4.06Å; V202-W207 PolarHBondContact O-NE1 3.24Å | ||
| 203 | P | 91.7 | Very high | 91.9 | Very high | 41 Ų | 41 | 52 Ų | 52 | 27% | 0.266 | 30% | 0.301 | S | S | . | . | trans | -57.1 | 149 | -178.4 | -29.2 | 37.3 | 0 | 0 | 0 | 114.1 | P160 A205 F206 W207 | P160-P203 HydrophobicContact CB-CG 4.15Å; P160-P203 VanDerWaalsContact O-CB 3.23Å; P160-P203 WeakPolarHBondContact O-CB 3.35Å; P203-A205 VanDerWaalsContact C-N 3.28Å; P203-A205 PolarHBondContact O-N 2.92Å; P203-F206 WeakPolarHBondContact O-CB 3.47Å; P203-F206 PolarHBondContact O-N 2.94Å; P203-W207 PolarHBondContact O-N 3.3Å | ||
| 204 | P | 91.4 | Very high | 92 | Very high | 88 Ų | 88 | 49.9 Ų | 49.9 | 57% | 0.571 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -65.4 | -29.5 | 179 | 26.4 | -34.1 | 0 | 0 | 0 | 113 | W207 N208 | P204-W207 PolarHBondContact O-N 3.17Å; P204-N208 PolarHBondContact O-N 3.25Å; P204-N208 PolarHBondContact O-ND2 3.47Å |
| 205 | A | 92.6 | Very high | 92.1 | Very high | 24 Ų | 24 | 47.3 Ų | 47.3 | 20% | 0.198 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P203 W207 N208 N209 | P203-A205 VanDerWaalsContact C-N 3.28Å; P203-A205 PolarHBondContact O-N 2.92Å; A205-W207 VanDerWaalsContact C-N 3.33Å; A205-W207 PolarHBondContact O-N 3.34Å; A205-N208 PolarHBondContact O-N 3.34Å; A205-N209 WeakPolarHBondContact O-CB 3.38Å; A205-N209 VanDerWaalsContact O-CG 3.27Å; A205-N209 PolarHBondContact O-N 3.37Å; A205-N209 PolarHBondContact O-ND2 3.37Å |
| 206 | F | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -53.4 | -48.7 | 174.2 | -176.7 | -101 | 0 | 0 | 0 | 112.4 | L158 P160 V192 V195 V202 P203 N208 N209 T210 | L158-F206 HydrophobicContact CB-CD2 4.45Å; L158-F206 HydrophobicContact CB-CE2 3.89Å; L158-F206 WeakPolarHBondContact O-CD2 3.48Å; L158-F206 VanDerWaalsContact O-CE2 3.3Å; L158-F206 WeakPolarHBondContact O-CE2 3.48Å; P160-F206 HydrophobicContact CB-CB 4.22Å; P160-F206 HydrophobicContact CB-CD2 4.42Å; V192-F206 HydrophobicContact CG2-CE1 4.26Å; V192-F206 HydrophobicContact CG2-CZ 4.13Å; V195-F206 HydrophobicContact CB-CD2 4.42Å; V195-F206 HydrophobicContact CB-CE1 4.23Å; V195-F206 HydrophobicContact CB-CE2 3.88Å; V195-F206 HydrophobicContact CB-CZ 3.77Å; V195-F206 HydrophobicContact CG1-CD1 4.16Å; V195-F206 HydrophobicContact CG1-CD2 3.96Å; V195-F206 HydrophobicContact CG1-CE1 4.1Å; V195-F206 HydrophobicContact CG1-CE2 3.93Å; V195-F206 HydrophobicContact CG1-CG 4.08Å; V195-F206 HydrophobicContact CG1-CZ 3.99Å; V195-F206 HydrophobicContact CG2-CD2 4.24Å; V195-F206 HydrophobicContact CG2-CE2 3.6Å; V195-F206 HydrophobicContact CG2-CZ 3.93Å; V202-F206 HydrophobicContact CG1-CB 3.82Å; V202-F206 HydrophobicContact CG1-CD1 3.33Å; V202-F206 HydrophobicContact CG1-CE1 4.16Å; V202-F206 HydrophobicContact CG1-CG 3.8Å; P203-F206 WeakPolarHBondContact O-CB 3.47Å; P203-F206 PolarHBondContact O-N 2.94Å; F206-N208 PolarHBondContact O-N 3.01Å; F206-N209 PolarHBondContact O-N 3.14Å; F206-T210 VanDerWaalsContact O-CB 3.3Å; F206-T210 WeakPolarHBondContact O-CB 3.41Å; F206-T210 PolarHBondContact O-N 3.12Å; F206-T210 PolarHBondContact O-OG1 3.37Å |
| 207 | W | 95.1 | Very high | 92.3 | Very high | 15 Ų | 15 | 46.5 Ų | 46.5 | 6% | 0.057 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.3 | -38 | -178.5 | -67.3 | 119.9 | 0 | 0 | 0 | 112.6 | T196 V202 P203 P204 A205 F211 F259 H262 L264 L268 | T196-W207 HydrophobicContact CG2-CH2 3.79Å; T196-W207 HydrophobicContact CG2-CZ2 4.2Å; V202-W207 HydrophobicContact CB-CZ2 3.77Å; V202-W207 HydrophobicContact CG1-CD2 4.28Å; V202-W207 HydrophobicContact CG1-CZ2 3.86Å; V202-W207 HydrophobicContact CG2-CZ2 4.06Å; V202-W207 PolarHBondContact O-NE1 3.24Å; P203-W207 PolarHBondContact O-N 3.3Å; P204-W207 PolarHBondContact O-N 3.17Å; A205-W207 VanDerWaalsContact C-N 3.33Å; A205-W207 PolarHBondContact O-N 3.34Å; W207-F211 VanDerWaalsContact O-CB 3.3Å; W207-F211 WeakPolarHBondContact O-CB 3.36Å; W207-F211 PolarHBondContact O-N 3Å; W207-F259 HydrophobicContact CE3-CD2 4.08Å; W207-F259 AromaticContact CE3-CE2 3.59Å; W207-F259 HydrophobicContact CE3-CE2 3.59Å; W207-F259 HydrophobicContact CE3-CZ 4.39Å; W207-F259 AromaticContact CZ3-CD2 3.98Å; W207-F259 HydrophobicContact CZ3-CD2 3.98Å; W207-F259 AromaticContact CZ3-CE2 3.97Å; W207-F259 HydrophobicContact CZ3-CE2 3.97Å; W207-H262 HydrophobicContact CH2-CB 3.53Å; W207-H262 AromaticContact CH2-CD2 3.86Å; W207-H262 AromaticContact CH2-CG 3.68Å; W207-H262 HydrophobicContact CZ2-CB 4.12Å; W207-H262 HydrophobicContact CZ3-CB 4.26Å; W207-L264 HydrophobicContact CD2-CD2 4.09Å; W207-L264 HydrophobicContact CE3-CD2 3.67Å; W207-L264 HydrophobicContact CH2-CD2 4.43Å; W207-L264 HydrophobicContact CZ3-CD2 3.86Å; W207-L268 HydrophobicContact CB-CD1 3.32Å; W207-L268 HydrophobicContact CG-CD1 4.38Å |
| 208 | N | 95.1 | Very high | 92.1 | Very high | 50 Ų | 50 | 46.1 Ų | 46.1 | 27% | 0.267 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.9 | -47 | 175.2 | -75.2 | -64.5 | 0 | 0 | 0 | 111.3 | P204 A205 F206 T210 F211 T212 L268 | P204-N208 PolarHBondContact O-N 3.25Å; P204-N208 PolarHBondContact O-ND2 3.47Å; A205-N208 PolarHBondContact O-N 3.34Å; F206-N208 PolarHBondContact O-N 3.01Å; N208-T210 VanDerWaalsContact C-N 3.32Å; N208-T210 PolarHBondContact O-N 3.36Å; N208-F211 PolarHBondContact O-N 2.9Å; N208-T212 WeakPolarHBondContact O-CB 3.35Å; N208-T212 PolarHBondContact O-N 3.38Å; N208-T212 PolarHBondContact O-OG1 3.04Å; N208-L268 WeakPolarHBondContact OD1-CD2 3.26Å |
| 209 | N | 96 | Very high | 92 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.3 | -45.5 | 176.1 | -69 | -20.8 | 0 | 0 | 0 | 111.2 | L158 S159 E162 D163 Q164 L168 A205 F206 T212 L213 | L158-N209 HydrophobicContact CD2-CB 4.31Å; S159-N209 PolarHBondContact O-ND2 2.9Å; E162-N209 PolarHBondContact O-ND2 3.02Å; D163-N209 PolarHBondContact OD1-OD1 3.4Å; Q164-N209 PolarHBondContact N-OD1 3.29Å; L168-N209 HydrophobicContact CD1-CB 4.27Å; L168-N209 WeakPolarHBondContact CD1-O 3.35Å; A205-N209 WeakPolarHBondContact O-CB 3.38Å; A205-N209 VanDerWaalsContact O-CG 3.27Å; A205-N209 PolarHBondContact O-N 3.37Å; A205-N209 PolarHBondContact O-ND2 3.37Å; F206-N209 PolarHBondContact O-N 3.14Å; N209-T212 PolarHBondContact O-N 3.35Å; N209-L213 PolarHBondContact O-N 3.34Å |
| 210 | T | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62 | -47.7 | 177.3 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | V192 F206 N208 T212 L213 L214 F259 | V192-T210 HydrophobicContact CG2-CG2 3.76Å; F206-T210 VanDerWaalsContact O-CB 3.3Å; F206-T210 WeakPolarHBondContact O-CB 3.41Å; F206-T210 PolarHBondContact O-N 3.12Å; F206-T210 PolarHBondContact O-OG1 3.37Å; N208-T210 VanDerWaalsContact C-N 3.32Å; N208-T210 PolarHBondContact O-N 3.36Å; T210-T212 VanDerWaalsContact C-N 3.34Å; T210-T212 PolarHBondContact O-N 3.17Å; T210-L213 PolarHBondContact O-N 3.44Å; T210-L214 HydrophobicContact CG2-CD1 3.89Å; T210-L214 HydrophobicContact CG2-CD2 4.4Å; T210-L214 WeakPolarHBondContact O-CB 3.32Å; T210-L214 WeakPolarHBondContact O-CD1 3.43Å; T210-L214 PolarHBondContact O-N 2.87Å; T210-F259 HydrophobicContact CG2-CD2 3.49Å; T210-F259 VanDerWaalsContact CG2-CD2 3.49Å; T210-F259 HydrophobicContact CG2-CE2 3.63Å |
| 211 | F | 96.5 | Very high | 91.6 | Very high | 21 Ų | 21 | 43.7 Ų | 43.7 | 9% | 0.092 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -42 | 177.1 | 175.2 | -100.7 | 0 | 0 | 0 | 112.2 | W207 N208 L214 S215 W256 F259 L268 K271 V272 I275 | W207-F211 VanDerWaalsContact O-CB 3.3Å; W207-F211 WeakPolarHBondContact O-CB 3.36Å; W207-F211 PolarHBondContact O-N 3Å; N208-F211 PolarHBondContact O-N 2.9Å; F211-L214 PolarHBondContact O-N 3.37Å; F211-S215 WeakPolarHBondContact CE2-OG 3.48Å; F211-S215 WeakPolarHBondContact CZ-OG 3.38Å; F211-S215 VanDerWaalsContact O-CB 3.24Å; F211-S215 WeakPolarHBondContact O-CB 3.4Å; F211-S215 PolarHBondContact O-N 3.01Å; F211-S215 PolarHBondContact O-OG 3.06Å; F211-W256 HydrophobicContact CD2-CH2 4.34Å; F211-W256 HydrophobicContact CD2-CZ3 4.48Å; F211-W256 HydrophobicContact CE2-CH2 4.21Å; F211-F259 HydrophobicContact CB-CZ 4.06Å; F211-F259 HydrophobicContact CD2-CE1 4.47Å; F211-L268 HydrophobicContact CB-CD2 3.74Å; F211-L268 HydrophobicContact CD1-CD2 3.95Å; F211-L268 HydrophobicContact CG-CD2 3.8Å; F211-K271 HydrophobicContact CD1-CD 4.38Å; F211-K271 HydrophobicContact CE1-CB 3.87Å; F211-K271 HydrophobicContact CE1-CD 3.94Å; F211-K271 HydrophobicContact CE1-CG 4.5Å; F211-K271 HydrophobicContact CE2-CB 4.25Å; F211-K271 HydrophobicContact CZ-CB 3.61Å; F211-V272 HydrophobicContact CD2-CG2 3.69Å; F211-V272 HydrophobicContact CE2-CB 4.36Å; F211-V272 HydrophobicContact CE2-CG2 3.53Å; F211-I275 HydrophobicContact CE2-CD1 4.02Å; F211-I275 HydrophobicContact CZ-CD1 3.98Å |
| 212 | T | 95.9 | Very high | 90.9 | Very high | 48 Ų | 48 | 43.1 Ų | 43.1 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.4 | -45.2 | 177.2 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | L168 N208 N209 T210 S215 A216 | L168-T212 HydrophobicContact CB-CG2 4.06Å; L168-T212 HydrophobicContact CD1-CG2 3.73Å; N208-T212 WeakPolarHBondContact O-CB 3.35Å; N208-T212 PolarHBondContact O-N 3.38Å; N208-T212 PolarHBondContact O-OG1 3.04Å; N209-T212 PolarHBondContact O-N 3.35Å; T210-T212 VanDerWaalsContact C-N 3.34Å; T210-T212 PolarHBondContact O-N 3.17Å; T212-S215 PolarHBondContact O-N 2.89Å; T212-A216 WeakPolarHBondContact O-CB 3.48Å; T212-A216 PolarHBondContact O-N 3.36Å; T212-A216 VanDerWaalsContact O-N 3.08Å |
| 213 | L | 96.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62 | -51 | 175.8 | -178.4 | 63.8 | 0 | 0 | 0 | 111.7 | V154 L158 L168 F171 T184 A188 N209 T210 S215 A216 V217 | V154-L213 HydrophobicContact CG1-CD2 4.2Å; L158-L213 HydrophobicContact CD1-CD2 4.12Å; L158-L213 HydrophobicContact CD2-CB 4.15Å; L158-L213 HydrophobicContact CD2-CD2 3.78Å; L158-L213 HydrophobicContact CG-CD2 4.08Å; L168-L213 HydrophobicContact CD2-CB 3.84Å; L168-L213 HydrophobicContact CD2-CD1 3.77Å; L168-L213 HydrophobicContact CD2-CG 4.3Å; F171-L213 HydrophobicContact CD1-CD1 3.97Å; F171-L213 HydrophobicContact CE1-CD1 4.04Å; T184-L213 HydrophobicContact CG2-CD1 3.9Å; T184-L213 HydrophobicContact CG2-CD2 4.03Å; T184-L213 HydrophobicContact CG2-CG 4.18Å; A188-L213 HydrophobicContact CB-CD2 4.28Å; N209-L213 PolarHBondContact O-N 3.34Å; T210-L213 PolarHBondContact O-N 3.44Å; L213-S215 VanDerWaalsContact C-N 3.29Å; L213-S215 PolarHBondContact O-N 3.38Å; L213-A216 WeakPolarHBondContact O-CB 3.48Å; L213-A216 PolarHBondContact O-N 3.23Å; L213-A216 VanDerWaalsContact O-N 3.12Å; L213-V217 PolarHBondContact O-N 3.09Å |
| 214 | L | 95.9 | Very high | 88.6 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.4 | -40.1 | -179.6 | -95.1 | 58 | 0 | 0 | 0 | 112.1 | A188 T210 F211 A216 V217 M255 W256 F259 | A188-L214 HydrophobicContact CB-CD1 4.27Å; T210-L214 HydrophobicContact CG2-CD1 3.89Å; T210-L214 HydrophobicContact CG2-CD2 4.4Å; T210-L214 WeakPolarHBondContact O-CB 3.32Å; T210-L214 WeakPolarHBondContact O-CD1 3.43Å; T210-L214 PolarHBondContact O-N 2.87Å; F211-L214 PolarHBondContact O-N 3.37Å; L214-A216 VanDerWaalsContact C-N 3.32Å; L214-V217 PolarHBondContact O-N 3.34Å; L214-M255 HydrophobicContact CB-CE 4.42Å; L214-M255 HydrophobicContact CD1-CE 4.46Å; L214-M255 HydrophobicContact CD1-CG 3.76Å; L214-M255 HydrophobicContact CD1-SD 3.62Å; L214-M255 HydrophobicContact CD2-CG 4.11Å; L214-M255 HydrophobicContact CG-CE 3.86Å; L214-M255 HydrophobicContact CG-CG 3.72Å; L214-M255 HydrophobicContact CG-SD 3.66Å; L214-W256 HydrophobicContact CB-CH2 3.94Å; L214-W256 HydrophobicContact CB-CZ2 3.78Å; L214-W256 HydrophobicContact CB-CZ3 4.41Å; L214-W256 HydrophobicContact CD2-CD2 4.18Å; L214-W256 HydrophobicContact CD2-CE3 4.06Å; L214-W256 HydrophobicContact CD2-CZ3 4.27Å; L214-F259 HydrophobicContact CD2-CB 3.58Å; L214-F259 HydrophobicContact CD2-CD1 4.06Å; L214-F259 HydrophobicContact CD2-CD2 4.06Å; L214-F259 HydrophobicContact CD2-CG 3.65Å |
| 215 | S | 94.8 | Very high | 87.1 | Confident | 49 Ų | 49 | 50.7 Ų | 50.7 | 34% | 0.343 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -73.9 | -22.4 | 179.1 | -55.3 | 0 | 0 | 0 | 0 | 113 | F211 T212 L213 | F211-S215 WeakPolarHBondContact CE2-OG 3.48Å; F211-S215 WeakPolarHBondContact CZ-OG 3.38Å; F211-S215 VanDerWaalsContact O-CB 3.24Å; F211-S215 WeakPolarHBondContact O-CB 3.4Å; F211-S215 PolarHBondContact O-N 3.01Å; F211-S215 PolarHBondContact O-OG 3.06Å; T212-S215 PolarHBondContact O-N 2.89Å; L213-S215 VanDerWaalsContact C-N 3.29Å; L213-S215 PolarHBondContact O-N 3.38Å |
| 216 | A | 94.2 | Very high | 85.9 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -77.2 | -24.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L175 T212 L213 L214 S218 | L175-A216 HydrophobicContact CD1-CB 3.87Å; T212-A216 WeakPolarHBondContact O-CB 3.48Å; T212-A216 PolarHBondContact O-N 3.36Å; T212-A216 VanDerWaalsContact O-N 3.08Å; L213-A216 WeakPolarHBondContact O-CB 3.48Å; L213-A216 PolarHBondContact O-N 3.23Å; L213-A216 VanDerWaalsContact O-N 3.12Å; L214-A216 VanDerWaalsContact C-N 3.32Å; A216-S218 PolarHBondContact O-N 3.45Å |
| 217 | V | 93.2 | Very high | 84.8 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | trans | -69.2 | 114.2 | 176.3 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | L175 R181 M185 L213 L214 F252 M255 | L175-V217 HydrophobicContact CD1-CG2 4.16Å; L175-V217 HydrophobicContact CD2-CG2 4.41Å; R181-V217 HydrophobicContact CG-CG1 4.05Å; M185-V217 HydrophobicContact CG-CG1 4.12Å; M185-V217 HydrophobicContact SD-CG1 3.97Å; L213-V217 PolarHBondContact O-N 3.09Å; L214-V217 PolarHBondContact O-N 3.34Å; V217-F252 HydrophobicContact CB-CE2 4.44Å; V217-F252 HydrophobicContact CG1-CD2 3.92Å; V217-F252 HydrophobicContact CG1-CE2 4.15Å; V217-M255 HydrophobicContact CB-CE 4.26Å; V217-M255 HydrophobicContact CG1-CE 4.39Å; V217-M255 HydrophobicContact CG2-CE 4.33Å | ||
| 218 | S | 85.5 | Confident | 84.3 | Confident | 61 Ų | 61 | 57.7 Ų | 57.7 | 43% | 0.427 | 31% | 0.314 | S | S | . | . | trans | -117.5 | 138.8 | 172.4 | 69.4 | 0 | 0 | 0 | 0 | 110.8 | R181 A216 | R181-S218 VanDerWaalsContact CD-O 3.27Å; R181-S218 WeakPolarHBondContact CD-O 3.47Å; R181-S218 PolarHBondContact NH1-O 3.31Å; A216-S218 PolarHBondContact O-N 3.45Å | ||
| 219 | L | 86.5 | Confident | 83.9 | Confident | 13 Ų | 13 | 56.8 Ų | 56.8 | 7% | 0.068 | 31% | 0.307 | C | S | . | . | trans | -101.6 | 142.3 | 176 | -62.9 | -174.3 | 0 | 0 | 0 | 110.9 | M185 L245 H248 R249 F252 Q283 | M185-L219 HydrophobicContact CE-CD2 4.47Å; L219-L245 HydrophobicContact CB-CD1 4.44Å; L219-H248 HydrophobicContact CD1-CB 4.38Å; L219-H248 HydrophobicContact CD2-CB 3.89Å; L219-R249 HydrophobicContact CD1-CG 3.91Å; L219-F252 HydrophobicContact CD1-CB 3.85Å; L219-F252 HydrophobicContact CD1-CD2 4.36Å; L219-F252 HydrophobicContact CD1-CG 4.05Å; L219-F252 HydrophobicContact CG-CD2 4.34Å; L219-Q283 HydrophobicContact CB-CG 4.27Å; L219-Q283 HydrophobicContact CD1-CB 4.19Å | ||
| 220 | P | 81.7 | Confident | 83.6 | Confident | 42 Ų | 42 | 57.8 Ų | 57.8 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | trans | -63.8 | 143.8 | 172.9 | 27.7 | -32.9 | 0 | 0 | 0 | 110.4 | Q222 L245 | P220-Q222 VanDerWaalsContact C-N 3.31Å; P220-Q222 PolarHBondContact O-N 3.1Å; P220-L245 HydrophobicContact CG-CD1 3.99Å | ||
| 221 | R | 71.3 | Confident | 83 | Confident | 236 Ų | 236 | 57.8 Ų | 57.8 | 89% | 0.891 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -69.7 | -30.9 | -177.1 | -68 | -176.8 | 179.4 | -176 | 0.1 | 112.5 | ||
| 222 | Q | 71.9 | Confident | 82.2 | Confident | 162 Ų | 162 | 65.1 Ų | 65.1 | 76% | 0.757 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -123.2 | 158.3 | 179.1 | -67.1 | 176.5 | -6 | 0 | 0 | 109 | P220 P224 | P220-Q222 VanDerWaalsContact C-N 3.31Å; P220-Q222 PolarHBondContact O-N 3.1Å; Q222-P224 WeakPolarHBondContact O-CD 3.44Å |
| 223 | E | 69.1 | Low | 81 | Confident | 127 Ų | 127 | 65.8 Ų | 65.8 | 59% | 0.593 | 34% | 0.341 | S | S | * | . | trans | -59.7 | 121.9 | 171.4 | -82.5 | -179.4 | 174.4 | 0 | 0 | 108.6 | T225 L245 | E223-T225 PolarHBondContact O-N 3.43Å; E223-L245 HydrophobicContact CG-CB 3.61Å; E223-L245 HydrophobicContact CG-CD2 4.04Å; E223-L245 HydrophobicContact CG-CG 4.48Å | ||
| 224 | P | 66.3 | Low | 79.2 | Confident | 44 Ų | 44 | 73.1 Ų | 73.1 | 29% | 0.286 | 39% | 0.385 | S | S | . | . | trans | -64.8 | 134.5 | -178.3 | 26.8 | -32.4 | 0 | 0 | 0 | 108.8 | Q222 V226 | Q222-P224 WeakPolarHBondContact O-CD 3.44Å; P224-V226 PolarHBondContact O-N 2.9Å | ||
| 225 | T | 59.7 | Low | 77.8 | Confident | 142 Ų | 142 | 77.2 Ų | 77.2 | 87% | 0.871 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -64.6 | -21.1 | 174.6 | 50.5 | 0 | 0 | 0 | 0 | 112.1 | E223 | E223-T225 PolarHBondContact O-N 3.43Š|
| 226 | V | 66.2 | Low | 76.3 | Confident | 113 Ų | 113 | 81.9 Ų | 81.9 | 69% | 0.685 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -136.3 | 118.6 | 175.7 | -177 | 0 | 0 | 0 | 0 | 108.4 | P224 | P224-V226 PolarHBondContact O-N 2.9Š|
| 227 | S | 72.3 | Confident | 74.8 | Confident | 16 Ų | 16 | 85.3 Ų | 85.3 | 11% | 0.112 | 43% | 0.433 | C | S | . | . | trans | -75.9 | 137.9 | 171.5 | -62.4 | 0 | 0 | 0 | 0 | 110.1 | D178 F229 | D178-S227 VanDerWaalsContact OD2-CA 3.3Å; D178-S227 WeakPolarHBondContact OD2-CA 3.22Å; D178-S227 WeakPolarHBondContact OD2-CB 3.41Å; S227-F229 VanDerWaalsContact CB-CZ 3.45Å | ||
| 228 | S | 84.7 | Confident | 73.4 | Confident | 58 Ų | 58 | 89.8 Ų | 89.8 | 41% | 0.406 | 46% | 0.457 | S | S | . | . | trans | -108.7 | 107 | 177.5 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | Y177 D178 | Y177-S228 CarbonylContact C-O 3.58Å; Y177-S228 VanDerWaalsContact CA-O 3.26Å; Y177-S228 WeakPolarHBondContact CA-O 2.99Å; Y177-S228 WeakPolarHBondContact CB-O 3.48Å; Y177-S228 VanDerWaalsContact CD1-OG 3.28Å; Y177-S228 WeakPolarHBondContact CD1-OG 3.43Å; D178-S228 PolarHBondContact N-O 3.39Å; D178-S228 PolarHBondContact OD2-N 3.03Å | ||
| 229 | F | 87 | Confident | 72.7 | Confident | 30 Ų | 30 | 92.3 Ų | 92.3 | 13% | 0.132 | 47% | 0.47 | C | S | . | . | trans | -101.5 | 134.9 | 178.5 | -58.4 | -67.4 | 0 | 0 | 0 | 111 | D178 D179 S227 W237 W240 V242 A243 | D178-F229 HydrophobicContact CB-CD1 4.11Å; D178-F229 HydrophobicContact CB-CE1 3.93Å; D179-F229 HydrophobicContact CB-CD1 4.12Å; S227-F229 VanDerWaalsContact CB-CZ 3.45Å; F229-W237 HydrophobicContact CE2-CB 3.97Å; F229-W237 HydrophobicContact CE2-CG 4.17Å; F229-W237 HydrophobicContact CZ-CB 4.2Å; F229-W240 HydrophobicContact CZ-CE3 4.45Å; F229-V242 HydrophobicContact CD1-CG1 4.42Å; F229-V242 HydrophobicContact CE1-CG1 4Å; F229-A243 HydrophobicContact CZ-CB 4.04Å | ||
| 230 | Y | 88.6 | Confident | 72.3 | Confident | 21 Ų | 21 | 92.2 Ų | 92.2 | 8% | 0.082 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -69.1 | -41.8 | 173.3 | -174.6 | -112.6 | 0 | 0 | 0 | 110.7 | M123 Q127 Y174 Y177 D179 T180 K232 | M123-Y230 HydrophobicContact CE-CD1 4.19Å; M123-Y230 HydrophobicContact CE-CE1 3.75Å; M123-Y230 WeakPolarHBondContact O-CE1 3.46Å; M123-Y230 PolarHBondContact O-OH 3.43Å; Q127-Y230 HydrophobicContact CB-CD1 4.34Å; Q127-Y230 HydrophobicContact CB-CE1 3.67Å; Q127-Y230 HydrophobicContact CG-CE1 4.33Å; Y174-Y230 HydrophobicContact CD1-CD2 4.31Å; Y174-Y230 AromaticContact CD1-CE2 3.78Å; Y174-Y230 HydrophobicContact CD1-CE2 3.78Å; Y174-Y230 AromaticContact CE1-CE2 3.9Å; Y174-Y230 HydrophobicContact CE1-CE2 3.9Å; Y177-Y230 AromaticContact CD2-CD2 3.72Å; Y177-Y230 HydrophobicContact CD2-CD2 3.72Å; Y177-Y230 HydrophobicContact CD2-CG 4.23Å; Y177-Y230 AromaticContact CE2-CD2 3.6Å; Y177-Y230 HydrophobicContact CE2-CD2 3.6Å; Y177-Y230 HydrophobicContact CE2-CE2 4.31Å; Y177-Y230 HydrophobicContact CG-CD2 4.24Å; Y177-Y230 HydrophobicContact CG-CG 4.45Å; D179-Y230 WeakPolarHBondContact OD1-CB 3.38Å; D179-Y230 PolarHBondContact OD1-N 3.17Å; D179-Y230 PolarHBondContact OD2-N 3.3Å; D179-Y230 VanDerWaalsContact OD2-N 3.17Å; T180-Y230 HydrophobicContact CG2-CD1 3.9Å; T180-Y230 HydrophobicContact CG2-CG 3.83Å; Y230-K232 PolarHBondContact O-N 3.46Å |
| 231 | V | 85.7 | Confident | 72.3 | Confident | 1 Ų | 1 | 96.5 Ų | 96.5 | 1% | 0.006 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -87 | 96.4 | 171.1 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | G130 F145 D179 R233 | G130-V231 VanDerWaalsContact CA-CG1 3.46Å; G130-V231 WeakPolarHBondContact O-CG1 3.42Å; F145-V231 HydrophobicContact CD2-CG2 4.26Å; F145-V231 HydrophobicContact CE2-CG2 4.25Å; D179-V231 WeakPolarHBondContact OD2-CB 3.3Å; D179-V231 PolarHBondContact OD2-N 3.36Å; V231-R233 PolarHBondContact O-N 2.8Å |
| 232 | K | 79.6 | Confident | 72.9 | Confident | 175 Ų | 175 | 85.5 Ų | 85.5 | 76% | 0.761 | 44% | 0.442 | S | S | * | . | trans | -67 | 128.4 | 179.1 | -65.2 | -176.7 | 179.8 | 179.8 | 0 | 110.9 | Y230 | Y230-K232 PolarHBondContact O-N 3.46Š| ||
| 233 | R | 69.5 | Low | 73.4 | Confident | 62 Ų | 62 | 78.2 Ų | 78.2 | 23% | 0.234 | 41% | 0.41 | C | S | . | . | trans | -136 | 152.6 | 171.6 | -72.8 | -165.4 | 175.7 | -178.4 | 5.8 | 111.1 | G130 P133 N142 L144 V231 W240 | G130-R233 PolarHBondContact O-NE 2.65Å; G130-R233 PolarHBondContact O-NH2 3.37Å; P133-R233 VanDerWaalsContact CG-NH2 3.32Å; N142-R233 PolarHBondContact O-NH1 2.94Å; L144-R233 PolarHBondContact O-NH2 3.48Å; V231-R233 PolarHBondContact O-N 2.8Å; R233-W240 HydrophobicContact CB-CH2 3.84Å; R233-W240 HydrophobicContact CG-CH2 4.5Å | ||
| 234 | T | 60.6 | Low | 74.2 | Confident | 154 Ų | 154 | 75.5 Ų | 75.5 | 95% | 0.945 | 40% | 0.397 | S | S | * | . | trans | -90.4 | -4.4 | -179.4 | 38.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 235 | E | 66.3 | Low | 75.3 | Confident | 88 Ų | 88 | 73.9 Ų | 73.9 | 41% | 0.411 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -80.6 | 157.4 | -177.9 | -66.7 | 174.4 | -178.3 | 0 | 0 | 112.7 | W237 W240 | E235-W237 PolarHBondContact O-N 2.96Å; E235-W240 HydrophobicContact CB-CH2 4.18Å; E235-W240 HydrophobicContact CB-CZ2 3.85Å |
| 236 | L | 62.6 | Low | 76.7 | Confident | 148 Ų | 148 | 73.9 Ų | 73.9 | 78% | 0.775 | 37% | 0.374 | S | S | * | . | trans | -67.4 | 119 | 175.8 | -66.4 | 169.1 | 0 | 0 | 0 | 110.4 | ||||
| 237 | W | 63.2 | Low | 77.9 | Confident | 93 Ų | 93 | 70.3 Ų | 70.3 | 35% | 0.352 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -85.8 | -7.8 | -171.8 | 55.8 | -96.9 | 0 | 0 | 0 | 114.5 | F229 E235 T239 W240 A243 | F229-W237 HydrophobicContact CE2-CB 3.97Å; F229-W237 HydrophobicContact CE2-CG 4.17Å; F229-W237 HydrophobicContact CZ-CB 4.2Å; E235-W237 PolarHBondContact O-N 2.96Å; W237-T239 PolarHBondContact O-N 2.63Å; W237-W240 HydrophobicContact CB-CD2 4.22Å; W237-W240 HydrophobicContact CB-CE3 3.7Å; W237-W240 HydrophobicContact CB-CZ3 3.95Å; W237-W240 WeakPolarHBondContact O-CB 3.35Å; W237-W240 PolarHBondContact O-N 3.24Å; W237-A243 HydrophobicContact CD2-CB 4.26Å; W237-A243 HydrophobicContact CE3-CB 3.28Å; W237-A243 HydrophobicContact CZ3-CB 3.76Å |
| 238 | D | 64 | Low | 78.9 | Confident | 100 Ų | 100 | 69.7 Ų | 69.7 | 54% | 0.535 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -57.8 | -24.6 | -174.2 | -72.9 | -23.5 | 0 | 0 | 0 | 113.9 | H244 | D238-H244 PolarHBondContact O-CE1 3.37Å; D238-H244 PolarHBondContact O-NE2 3.43Å |
| 239 | T | 69.9 | Low | 79.4 | Confident | 114 Ų | 114 | 71 Ų | 71 | 70% | 0.699 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -88.1 | -9.4 | 179.3 | 61.9 | 0 | 0 | 0 | 0 | 113.4 | W237 | W237-T239 PolarHBondContact O-N 2.63Š|
| 240 | W | 78.4 | Confident | 79.8 | Confident | 11 Ų | 11 | 73.7 Ų | 73.7 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | trans | -87.1 | 124.5 | -172.5 | -60.3 | -10.7 | 0 | 0 | 0 | 111.3 | G141 Y143 F229 R233 E235 W237 V242 A243 H244 | G141-W240 PolarHBondContact O-NE1 2.81Å; Y143-W240 AromaticContact CD2-CD2 3.66Å; Y143-W240 HydrophobicContact CD2-CD2 3.66Å; Y143-W240 AromaticContact CD2-CE2 3.98Å; Y143-W240 AromaticContact CD2-CE3 3.47Å; Y143-W240 HydrophobicContact CD2-CE3 3.47Å; Y143-W240 VanDerWaalsContact CD2-CE3 3.47Å; Y143-W240 HydrophobicContact CD2-CG 4.36Å; Y143-W240 HydrophobicContact CD2-CH2 4.01Å; Y143-W240 HydrophobicContact CD2-CZ2 4.14Å; Y143-W240 AromaticContact CD2-CZ3 3.66Å; Y143-W240 HydrophobicContact CD2-CZ3 3.66Å; Y143-W240 HydrophobicContact CE2-CE3 4.02Å; Y143-W240 HydrophobicContact CE2-CZ3 4.01Å; Y143-W240 HydrophobicContact CG-CD2 4.03Å; Y143-W240 HydrophobicContact CG-CE3 4.22Å; Y143-W240 HydrophobicContact CG-CG 4.27Å; F229-W240 HydrophobicContact CZ-CE3 4.45Å; R233-W240 HydrophobicContact CB-CH2 3.84Å; R233-W240 HydrophobicContact CG-CH2 4.5Å; E235-W240 HydrophobicContact CB-CH2 4.18Å; E235-W240 HydrophobicContact CB-CZ2 3.85Å; W237-W240 HydrophobicContact CB-CD2 4.22Å; W237-W240 HydrophobicContact CB-CE3 3.7Å; W237-W240 HydrophobicContact CB-CZ3 3.95Å; W237-W240 WeakPolarHBondContact O-CB 3.35Å; W237-W240 PolarHBondContact O-N 3.24Å; W240-V242 PolarHBondContact O-N 3.08Å; W240-A243 WeakPolarHBondContact O-CB 3.39Å; W240-A243 PolarHBondContact O-N 3.45Å; W240-H244 PolarHBondContact O-CD2 3.48Å | ||
| 241 | K | 81.4 | Confident | 80.1 | Confident | 131 Ų | 131 | 73.2 Ų | 73.2 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -51.2 | -32.8 | 174.3 | -68.3 | -173 | 177.6 | -172.5 | 0 | 113 | A243 H244 E247 | K241-A243 PolarHBondContact O-N 3.17Å; K241-H244 PolarHBondContact O-N 2.72Å; K241-E247 HydrophobicContact CB-CB 4.36Å; K241-E247 HydrophobicContact CB-CG 4.13Å; K241-E247 HydrophobicContact CG-CG 4.33Å; K241-E247 WeakPolarHBondContact O-CB 3.47Å |
| 242 | V | 83.6 | Confident | 80.6 | Confident | 5 Ų | 5 | 73.3 Ų | 73.3 | 3% | 0.03 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -65.8 | -23.1 | -178.6 | -175.1 | 0 | 0 | 0 | 0 | 112.8 | Y143 D179 Y182 F229 W240 H248 | Y143-V242 HydrophobicContact CD1-CG2 3.87Å; Y143-V242 HydrophobicContact CE1-CG2 3.79Å; D179-V242 HydrophobicContact CB-CG1 3.75Å; Y182-V242 HydrophobicContact CD1-CG2 3.82Å; Y182-V242 HydrophobicContact CE1-CG2 4.24Å; Y182-V242 HydrophobicContact CG-CG2 4.29Å; F229-V242 HydrophobicContact CD1-CG1 4.42Å; F229-V242 HydrophobicContact CE1-CG1 4Å; W240-V242 PolarHBondContact O-N 3.08Å; V242-H248 PolarHBondContact O-CD2 3.35Å; V242-H248 PolarHBondContact O-NE2 3.17Å |
| 243 | A | 82.8 | Confident | 81.4 | Confident | 10 Ų | 10 | 66.1 Ų | 66.1 | 8% | 0.083 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -85.2 | -20.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F229 W237 W240 K241 | F229-A243 HydrophobicContact CZ-CB 4.04Å; W237-A243 HydrophobicContact CD2-CB 4.26Å; W237-A243 HydrophobicContact CE3-CB 3.28Å; W237-A243 HydrophobicContact CZ3-CB 3.76Å; W240-A243 WeakPolarHBondContact O-CB 3.39Å; W240-A243 PolarHBondContact O-N 3.45Å; K241-A243 PolarHBondContact O-N 3.17Å |
| 244 | H | 86.1 | Confident | 82.7 | Confident | 69 Ų | 69 | 66.8 Ų | 66.8 | 32% | 0.319 | 33% | 0.334 | S | S | . | . | trans | -90.2 | 117.5 | -171.7 | -69.5 | -68.6 | 0 | 0 | 0 | 111.6 | D238 W240 K241 K246 E247 H248 | D238-H244 PolarHBondContact O-CE1 3.37Å; D238-H244 PolarHBondContact O-NE2 3.43Å; W240-H244 PolarHBondContact O-CD2 3.48Å; K241-H244 PolarHBondContact O-N 2.72Å; H244-K246 PolarHBondContact O-N 3.33Å; H244-K246 VanDerWaalsContact O-N 3.13Å; H244-E247 HydrophobicContact CB-CB 4.47Å; H244-E247 HydrophobicContact CB-CG 4.18Å; H244-E247 PolarHBondContact O-N 3.12Å; H244-H248 PolarHBondContact O-CD2 2.91Å; H244-H248 PolarHBondContact O-N 2.5Å | ||
| 245 | L | 88.4 | Confident | 84.4 | Confident | 11 Ų | 11 | 59.6 Ų | 59.6 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57 | -33.1 | 179.1 | -178.4 | 58.4 | 0 | 0 | 0 | 112.4 | L219 P220 E223 E247 H248 R249 | L219-L245 HydrophobicContact CB-CD1 4.44Å; P220-L245 HydrophobicContact CG-CD1 3.99Å; E223-L245 HydrophobicContact CG-CB 3.61Å; E223-L245 HydrophobicContact CG-CD2 4.04Å; E223-L245 HydrophobicContact CG-CG 4.48Å; L245-E247 VanDerWaalsContact C-N 3.29Å; L245-E247 PolarHBondContact O-N 3.35Å; L245-H248 HydrophobicContact CD1-CB 4.36Å; L245-H248 WeakPolarHBondContact O-CB 3.24Å; L245-H248 PolarHBondContact O-N 2.95Å; L245-R249 WeakPolarHBondContact O-CG 3.38Å; L245-R249 PolarHBondContact O-N 2.85Å |
| 246 | K | 90.3 | Very high | 85.9 | Confident | 141 Ų | 141 | 55.6 Ų | 55.6 | 61% | 0.613 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -58.1 | -40.3 | 175.2 | -173.8 | 177.8 | -177.4 | 177.1 | 0 | 112.5 | H244 K250 | H244-K246 PolarHBondContact O-N 3.33Å; H244-K246 VanDerWaalsContact O-N 3.13Å; K246-K250 WeakPolarHBondContact O-CG 3.5Å; K246-K250 PolarHBondContact O-N 2.88Å |
| 247 | E | 91.4 | Very high | 87.4 | Confident | 38 Ų | 38 | 50.9 Ų | 50.9 | 18% | 0.178 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -73.9 | -35.4 | 178.7 | -65.6 | -62.4 | 117.6 | 0 | 0 | 111.2 | Y182 K241 H244 L245 K250 A251 | Y182-E247 HydrophobicContact CE2-CB 4.12Å; K241-E247 HydrophobicContact CB-CB 4.36Å; K241-E247 HydrophobicContact CB-CG 4.13Å; K241-E247 HydrophobicContact CG-CG 4.33Å; K241-E247 WeakPolarHBondContact O-CB 3.47Å; H244-E247 HydrophobicContact CB-CB 4.47Å; H244-E247 HydrophobicContact CB-CG 4.18Å; H244-E247 PolarHBondContact O-N 3.12Å; L245-E247 VanDerWaalsContact C-N 3.29Å; L245-E247 PolarHBondContact O-N 3.35Å; E247-K250 PolarHBondContact O-N 3.07Å; E247-K250 IonicContact OE1-NZ 3.57Å; E247-K250 PolarHBondContact OE1-NZ 3.38Å; E247-A251 PolarHBondContact O-N 3.42Å |
| 248 | H | 93.1 | Very high | 88.9 | Confident | 3 Ų | 3 | 47 Ų | 47 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.8 | -46 | 170 | -81.7 | -100.3 | 0 | 0 | 0 | 112.5 | D178 M185 L219 V242 H244 L245 K250 A251 F252 | D178-H248 PolarHBondContact O-CE1 3.29Å; M185-H248 HydrophobicContact CE-CB 4.34Å; L219-H248 HydrophobicContact CD1-CB 4.38Å; L219-H248 HydrophobicContact CD2-CB 3.89Å; V242-H248 PolarHBondContact O-CD2 3.35Å; V242-H248 PolarHBondContact O-NE2 3.17Å; H244-H248 PolarHBondContact O-CD2 2.91Å; H244-H248 PolarHBondContact O-N 2.5Å; L245-H248 HydrophobicContact CD1-CB 4.36Å; L245-H248 WeakPolarHBondContact O-CB 3.24Å; L245-H248 PolarHBondContact O-N 2.95Å; H248-K250 VanDerWaalsContact C-N 3.29Å; H248-K250 PolarHBondContact O-N 3.35Å; H248-A251 PolarHBondContact O-N 2.95Å; H248-F252 WeakPolarHBondContact O-CB 3.36Å; H248-F252 PolarHBondContact O-N 3.47Å |
| 249 | R | 94.2 | Very high | 90.4 | Very high | 86 Ų | 86 | 42.3 Ų | 42.3 | 33% | 0.325 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61 | -36.9 | 176.7 | -69.2 | -172.2 | -178.9 | 179.8 | 1.4 | 112.5 | L219 L245 Q253 Q283 A285 | L219-R249 HydrophobicContact CD1-CG 3.91Å; L245-R249 WeakPolarHBondContact O-CG 3.38Å; L245-R249 PolarHBondContact O-N 2.85Å; R249-Q253 WeakPolarHBondContact O-CB 3.5Å; R249-Q253 PolarHBondContact O-N 3.41Å; R249-Q283 WeakPolarHBondContact CG-O 3.3Å; R249-A285 HydrophobicContact CB-CB 4.05Å |
| 250 | K | 95.4 | Very high | 91.6 | Very high | 87 Ų | 87 | 37.9 Ų | 37.9 | 38% | 0.378 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -67.6 | -43.3 | 174.3 | -71.2 | 175.1 | -175.5 | 170.6 | 0 | 112.1 | K246 E247 H248 Q253 T254 A285 | K246-K250 WeakPolarHBondContact O-CG 3.5Å; K246-K250 PolarHBondContact O-N 2.88Å; E247-K250 PolarHBondContact O-N 3.07Å; E247-K250 IonicContact OE1-NZ 3.57Å; E247-K250 PolarHBondContact OE1-NZ 3.38Å; H248-K250 VanDerWaalsContact C-N 3.29Å; H248-K250 PolarHBondContact O-N 3.35Å; K250-Q253 PolarHBondContact O-N 3.2Å; K250-T254 WeakPolarHBondContact O-CB 3.43Å; K250-T254 PolarHBondContact O-N 3.39Å; K250-T254 PolarHBondContact O-OG1 3.42Å; K250-A285 HydrophobicContact CG-CB 4.02Å |
| 251 | A | 95.4 | Very high | 92.2 | Very high | 11 Ų | 11 | 43.5 Ų | 43.5 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -44.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y182 M185 E247 H248 Q253 T254 M255 | Y182-A251 HydrophobicContact CD2-CB 4.17Å; Y182-A251 HydrophobicContact CE2-CB 3.96Å; M185-A251 HydrophobicContact CB-CB 4.13Å; M185-A251 HydrophobicContact CE-CB 3.8Å; M185-A251 HydrophobicContact SD-CB 4.13Å; E247-A251 PolarHBondContact O-N 3.42Å; H248-A251 PolarHBondContact O-N 2.95Å; A251-Q253 PolarHBondContact O-N 3.21Å; A251-T254 PolarHBondContact O-N 2.94Å; A251-M255 WeakPolarHBondContact O-CB 3.47Å; A251-M255 PolarHBondContact O-N 3.03Å |
| 252 | F | 96.3 | Very high | 92.7 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.1 | -45.8 | 176.2 | -175 | -94.5 | 0 | 0 | 0 | 111.9 | M185 V217 L219 H248 M255 W256 I280 Q283 L284 | M185-F252 WeakPolarHBondContact SD-CA 3.35Å; M185-F252 HydrophobicContact SD-CB 3.61Å; M185-F252 HydrophobicContact SD-CD2 4.07Å; M185-F252 HydrophobicContact SD-CG 4.35Å; M185-F252 PolarHBondContact SD-N 3.27Å; M185-F252 VanDerWaalsContact SD-N 3.36Å; V217-F252 HydrophobicContact CB-CE2 4.44Å; V217-F252 HydrophobicContact CG1-CD2 3.92Å; V217-F252 HydrophobicContact CG1-CE2 4.15Å; L219-F252 HydrophobicContact CD1-CB 3.85Å; L219-F252 HydrophobicContact CD1-CD2 4.36Å; L219-F252 HydrophobicContact CD1-CG 4.05Å; L219-F252 HydrophobicContact CG-CD2 4.34Å; H248-F252 WeakPolarHBondContact O-CB 3.36Å; H248-F252 PolarHBondContact O-N 3.47Å; F252-M255 HydrophobicContact CD2-CE 3.78Å; F252-M255 HydrophobicContact CE2-CE 4.11Å; F252-M255 WeakPolarHBondContact O-CB 3.25Å; F252-M255 PolarHBondContact O-N 3.08Å; F252-W256 AromaticContact CD1-CD1 3.68Å; F252-W256 AromaticContact CD2-NE1 3.96Å; F252-W256 AromaticContact CE1-CD1 3.32Å; F252-W256 HydrophobicContact CE1-CG 4.44Å; F252-W256 AromaticContact CE1-NE1 3.47Å; F252-W256 AromaticContact CE2-CD1 3.72Å; F252-W256 AromaticContact CE2-NE1 3.25Å; F252-W256 AromaticContact CZ-CD1 3.37Å; F252-W256 AromaticContact CZ-NE1 2.97Å; F252-W256 PolarHBondContact O-N 2.65Å; F252-I280 HydrophobicContact CE1-CG2 4.28Å; F252-Q283 HydrophobicContact CD1-CB 3.82Å; F252-Q283 HydrophobicContact CE1-CB 3.52Å; F252-Q283 VanDerWaalsContact CE2-OE1 3.24Å; F252-Q283 HydrophobicContact CZ-CB 3.97Å; F252-L284 HydrophobicContact CD1-CD2 3.96Å; F252-L284 HydrophobicContact CE1-CD2 4.18Å |
| 253 | Q | 96.4 | Very high | 92.9 | Very high | 24 Ų | 24 | 49.1 Ų | 49.1 | 11% | 0.112 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.8 | -47.8 | 173.9 | 174.4 | 178.8 | -55.7 | 0 | 0 | 112.2 | R249 K250 A251 M255 W256 L257 L284 | R249-Q253 WeakPolarHBondContact O-CB 3.5Å; R249-Q253 PolarHBondContact O-N 3.41Å; K250-Q253 PolarHBondContact O-N 3.2Å; A251-Q253 PolarHBondContact O-N 3.21Å; Q253-M255 VanDerWaalsContact C-N 3.27Å; Q253-M255 PolarHBondContact O-N 3.35Å; Q253-W256 PolarHBondContact O-N 2.91Å; Q253-L257 HydrophobicContact CG-CD1 3.64Å; Q253-L257 HydrophobicContact CG-CG 4.13Å; Q253-L257 WeakPolarHBondContact O-CB 3.11Å; Q253-L257 VanDerWaalsContact O-CG 3.24Å; Q253-L257 WeakPolarHBondContact O-CG 3.43Å; Q253-L257 PolarHBondContact O-N 3.08Å; Q253-L284 HydrophobicContact CB-CD2 3.79Å; Q253-L284 HydrophobicContact CG-CD2 4.14Å |
| 254 | T | 96.8 | Very high | 93.2 | Very high | 76 Ų | 76 | 49.7 Ų | 49.7 | 47% | 0.466 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.7 | -39.8 | -179.7 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | V189 K250 A251 S258 | V189-T254 HydrophobicContact CG2-CG2 4.31Å; K250-T254 WeakPolarHBondContact O-CB 3.43Å; K250-T254 PolarHBondContact O-N 3.39Å; K250-T254 PolarHBondContact O-OG1 3.42Å; A251-T254 PolarHBondContact O-N 2.94Å; T254-S258 WeakPolarHBondContact O-CB 3.46Å; T254-S258 PolarHBondContact O-N 2.78Å |
| 255 | M | 96.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.4 | -55.3 | 175.3 | -177.7 | -175.2 | 63.6 | 0 | 0 | 112.1 | M185 A188 V189 L214 V217 A251 F252 Q253 S258 F259 | M185-M255 HydrophobicContact CB-CB 4.35Å; M185-M255 HydrophobicContact CB-SD 3.95Å; M185-M255 HydrophobicContact CG-CE 3.95Å; M185-M255 HydrophobicContact CG-SD 3.69Å; M185-M255 HydrophobicContact SD-CE 4.37Å; A188-M255 HydrophobicContact CB-CG 4.45Å; A188-M255 HydrophobicContact CB-SD 4.39Å; V189-M255 VanDerWaalsContact CG2-CA 3.48Å; V189-M255 HydrophobicContact CG2-CB 4.06Å; L214-M255 HydrophobicContact CB-CE 4.42Å; L214-M255 HydrophobicContact CD1-CE 4.46Å; L214-M255 HydrophobicContact CD1-CG 3.76Å; L214-M255 HydrophobicContact CD1-SD 3.62Å; L214-M255 HydrophobicContact CD2-CG 4.11Å; L214-M255 HydrophobicContact CG-CE 3.86Å; L214-M255 HydrophobicContact CG-CG 3.72Å; L214-M255 HydrophobicContact CG-SD 3.66Å; V217-M255 HydrophobicContact CB-CE 4.26Å; V217-M255 HydrophobicContact CG1-CE 4.39Å; V217-M255 HydrophobicContact CG2-CE 4.33Å; A251-M255 WeakPolarHBondContact O-CB 3.47Å; A251-M255 PolarHBondContact O-N 3.03Å; F252-M255 HydrophobicContact CD2-CE 3.78Å; F252-M255 HydrophobicContact CE2-CE 4.11Å; F252-M255 WeakPolarHBondContact O-CB 3.25Å; F252-M255 PolarHBondContact O-N 3.08Å; Q253-M255 VanDerWaalsContact C-N 3.27Å; Q253-M255 PolarHBondContact O-N 3.35Å; M255-S258 PolarHBondContact O-N 3.24Å; M255-F259 PolarHBondContact O-N 3.44Å |
| 256 | W | 96.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 53 Ų | 53 | 1% | 0.011 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.2 | -42.7 | -179.8 | -81.7 | 103.7 | 0 | 0 | 0 | 112.9 | F211 L214 F252 Q253 S258 F259 L260 V272 I275 I280 | F211-W256 HydrophobicContact CD2-CH2 4.34Å; F211-W256 HydrophobicContact CD2-CZ3 4.48Å; F211-W256 HydrophobicContact CE2-CH2 4.21Å; L214-W256 HydrophobicContact CB-CH2 3.94Å; L214-W256 HydrophobicContact CB-CZ2 3.78Å; L214-W256 HydrophobicContact CB-CZ3 4.41Å; L214-W256 HydrophobicContact CD2-CD2 4.18Å; L214-W256 HydrophobicContact CD2-CE3 4.06Å; L214-W256 HydrophobicContact CD2-CZ3 4.27Å; F252-W256 AromaticContact CD1-CD1 3.68Å; F252-W256 AromaticContact CD2-NE1 3.96Å; F252-W256 AromaticContact CE1-CD1 3.32Å; F252-W256 HydrophobicContact CE1-CG 4.44Å; F252-W256 AromaticContact CE1-NE1 3.47Å; F252-W256 AromaticContact CE2-CD1 3.72Å; F252-W256 AromaticContact CE2-NE1 3.25Å; F252-W256 AromaticContact CZ-CD1 3.37Å; F252-W256 AromaticContact CZ-NE1 2.97Å; F252-W256 PolarHBondContact O-N 2.65Å; Q253-W256 PolarHBondContact O-N 2.91Å; W256-S258 VanDerWaalsContact C-N 3.34Å; W256-S258 PolarHBondContact O-N 3.32Å; W256-F259 HydrophobicContact CE3-CD1 4.29Å; W256-F259 HydrophobicContact CZ3-CD1 4.28Å; W256-F259 HydrophobicContact CZ3-CE1 4.47Å; W256-F259 PolarHBondContact O-N 2.97Å; W256-L260 WeakPolarHBondContact O-CB 3.4Å; W256-L260 VanDerWaalsContact O-CG 3.26Å; W256-L260 WeakPolarHBondContact O-CG 3.41Å; W256-L260 PolarHBondContact O-N 2.8Å; W256-V272 HydrophobicContact CZ3-CG1 4.22Å; W256-V272 HydrophobicContact CZ3-CG2 4.31Å; W256-I275 HydrophobicContact CH2-CD1 4.16Å; W256-I280 HydrophobicContact CD2-CD1 3.98Å; W256-I280 HydrophobicContact CD2-CG1 4.32Å; W256-I280 HydrophobicContact CD2-CG2 4.21Å; W256-I280 HydrophobicContact CE3-CD1 3.77Å; W256-I280 HydrophobicContact CG-CG2 4.08Å; W256-I280 HydrophobicContact CH2-CD1 3.65Å; W256-I280 HydrophobicContact CH2-CG1 4.25Å; W256-I280 HydrophobicContact CZ2-CD1 3.84Å; W256-I280 HydrophobicContact CZ2-CG1 3.94Å; W256-I280 HydrophobicContact CZ3-CD1 3.62Å |
| 257 | L | 95.4 | Very high | 93.5 | Very high | 50 Ų | 50 | 49.7 Ų | 49.7 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.4 | -39.3 | 177.1 | -67.1 | -179.5 | 0 | 0 | 0 | 111.8 | Q253 F259 L260 K261 L289 M290 | Q253-L257 HydrophobicContact CG-CD1 3.64Å; Q253-L257 HydrophobicContact CG-CG 4.13Å; Q253-L257 WeakPolarHBondContact O-CB 3.11Å; Q253-L257 VanDerWaalsContact O-CG 3.24Å; Q253-L257 WeakPolarHBondContact O-CG 3.43Å; Q253-L257 PolarHBondContact O-N 3.08Å; L257-F259 VanDerWaalsContact C-N 3.27Å; L257-F259 PolarHBondContact O-N 3.37Å; L257-L260 PolarHBondContact O-N 3.1Å; L257-K261 PolarHBondContact O-N 3.3Å; L257-L289 HydrophobicContact CD1-CB 4.17Å; L257-L289 HydrophobicContact CD1-CD1 3.79Å; L257-L289 HydrophobicContact CD2-CB 4.42Å; L257-M290 HydrophobicContact CD2-CE 3.41Å; L257-M290 VanDerWaalsContact CD2-CE 3.41Å; L257-M290 HydrophobicContact CD2-SD 4.42Å |
| 258 | S | 94.6 | Very high | 93.5 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.6 | -27.7 | 176.4 | -171.5 | 0 | 0 | 0 | 0 | 112.7 | T254 M255 W256 K261 H262 | T254-S258 WeakPolarHBondContact O-CB 3.46Å; T254-S258 PolarHBondContact O-N 2.78Å; M255-S258 PolarHBondContact O-N 3.24Å; W256-S258 VanDerWaalsContact C-N 3.34Å; W256-S258 PolarHBondContact O-N 3.32Å; S258-K261 WeakPolarHBondContact O-CD 3.48Å; S258-K261 WeakPolarHBondContact O-CE 3.32Å; S258-K261 VanDerWaalsContact O-CG 3.31Å; S258-K261 WeakPolarHBondContact O-CG 3.37Å; S258-K261 PolarHBondContact OG-NZ 3.33Å; S258-H262 PolarHBondContact O-CD2 2.89Å; S258-H262 PolarHBondContact O-NE2 3.22Å |
| 259 | F | 95.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -76.3 | -46.5 | 172.4 | 176.7 | -103.8 | 0 | 0 | 0 | 111.5 | W207 T210 F211 L214 M255 W256 L257 K261 H262 L264 V272 | W207-F259 HydrophobicContact CE3-CD2 4.08Å; W207-F259 AromaticContact CE3-CE2 3.59Å; W207-F259 HydrophobicContact CE3-CE2 3.59Å; W207-F259 HydrophobicContact CE3-CZ 4.39Å; W207-F259 AromaticContact CZ3-CD2 3.98Å; W207-F259 HydrophobicContact CZ3-CD2 3.98Å; W207-F259 AromaticContact CZ3-CE2 3.97Å; W207-F259 HydrophobicContact CZ3-CE2 3.97Å; T210-F259 HydrophobicContact CG2-CD2 3.49Å; T210-F259 VanDerWaalsContact CG2-CD2 3.49Å; T210-F259 HydrophobicContact CG2-CE2 3.63Å; F211-F259 HydrophobicContact CB-CZ 4.06Å; F211-F259 HydrophobicContact CD2-CE1 4.47Å; L214-F259 HydrophobicContact CD2-CB 3.58Å; L214-F259 HydrophobicContact CD2-CD1 4.06Å; L214-F259 HydrophobicContact CD2-CD2 4.06Å; L214-F259 HydrophobicContact CD2-CG 3.65Å; M255-F259 PolarHBondContact O-N 3.44Å; W256-F259 HydrophobicContact CE3-CD1 4.29Å; W256-F259 HydrophobicContact CZ3-CD1 4.28Å; W256-F259 HydrophobicContact CZ3-CE1 4.47Å; W256-F259 PolarHBondContact O-N 2.97Å; L257-F259 VanDerWaalsContact C-N 3.27Å; L257-F259 PolarHBondContact O-N 3.37Å; F259-K261 VanDerWaalsContact C-N 3.3Å; F259-K261 PolarHBondContact O-N 3.12Å; F259-H262 PolarHBondContact O-N 3.21Å; F259-L264 HydrophobicContact CD1-CD1 4.05Å; F259-L264 HydrophobicContact CE1-CD1 3.48Å; F259-L264 VanDerWaalsContact CE1-CD1 3.48Å; F259-L264 HydrophobicContact CE1-CD2 4.02Å; F259-L264 HydrophobicContact CE1-CG 4.42Å; F259-L264 HydrophobicContact CE2-CD2 4.04Å; F259-L264 HydrophobicContact CZ-CD1 3.99Å; F259-L264 HydrophobicContact CZ-CD2 3.74Å; F259-V272 HydrophobicContact CE1-CG2 4.09Å |
| 260 | L | 93.9 | Very high | 93.3 | Very high | 20 Ų | 20 | 49 Ų | 49 | 11% | 0.105 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -72.7 | -16.1 | -174.9 | -72.3 | 175.9 | 0 | 0 | 0 | 114.7 | W256 L257 H262 L264 V272 M290 F293 | W256-L260 WeakPolarHBondContact O-CB 3.4Å; W256-L260 VanDerWaalsContact O-CG 3.26Å; W256-L260 WeakPolarHBondContact O-CG 3.41Å; W256-L260 PolarHBondContact O-N 2.8Å; L257-L260 PolarHBondContact O-N 3.1Å; L260-H262 PolarHBondContact O-N 3.42Å; L260-L264 HydrophobicContact CD2-CD1 3.89Å; L260-V272 HydrophobicContact CD2-CG1 3.99Å; L260-M290 HydrophobicContact CD1-CE 3.5Å; L260-M290 HydrophobicContact CD1-SD 3.76Å; L260-F293 HydrophobicContact CB-CD2 4.42Å; L260-F293 HydrophobicContact CD1-CD1 4.38Å; L260-F293 HydrophobicContact CD1-CD2 4.43Å; L260-F293 HydrophobicContact CD1-CE1 4.43Å; L260-F293 HydrophobicContact CD1-CE2 4.48Å; L260-F293 HydrophobicContact CD1-CG 4.39Å; L260-F293 HydrophobicContact CD1-CZ 4.49Å; L260-F293 HydrophobicContact CD2-CD2 4.02Å; L260-F293 HydrophobicContact CD2-CE1 4.48Å; L260-F293 HydrophobicContact CD2-CE2 3.47Å; L260-F293 VanDerWaalsContact CD2-CE2 3.47Å; L260-F293 HydrophobicContact CD2-CZ 3.76Å; L260-F293 HydrophobicContact CG-CE2 4.41Å |
| 261 | K | 91.7 | Very high | 93.2 | Very high | 129 Ų | 129 | 49.7 Ų | 49.7 | 56% | 0.561 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19.6 | 174.3 | 77.1 | -170 | 177.2 | -167.2 | 0 | 113.3 | L257 S258 F259 | L257-K261 PolarHBondContact O-N 3.3Å; S258-K261 WeakPolarHBondContact O-CD 3.48Å; S258-K261 WeakPolarHBondContact O-CE 3.32Å; S258-K261 VanDerWaalsContact O-CG 3.31Å; S258-K261 WeakPolarHBondContact O-CG 3.37Å; S258-K261 PolarHBondContact OG-NZ 3.33Å; F259-K261 VanDerWaalsContact C-N 3.3Å; F259-K261 PolarHBondContact O-N 3.12Å |
| 262 | H | 91.3 | Very high | 93.2 | Very high | 46 Ų | 46 | 49.1 Ų | 49.1 | 21% | 0.213 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -90.9 | 157.6 | -177.1 | -62 | -76.6 | 0 | 0 | 0 | 112.2 | T196 W207 S258 F259 L260 L264 | T196-H262 VanDerWaalsContact CG2-CE1 3.45Å; T196-H262 WeakPolarHBondContact CG2-CE1 3.46Å; T196-H262 PolarHBondContact OG1-CE1 3.48Å; W207-H262 HydrophobicContact CH2-CB 3.53Å; W207-H262 AromaticContact CH2-CD2 3.86Å; W207-H262 AromaticContact CH2-CG 3.68Å; W207-H262 HydrophobicContact CZ2-CB 4.12Å; W207-H262 HydrophobicContact CZ3-CB 4.26Å; S258-H262 PolarHBondContact O-CD2 2.89Å; S258-H262 PolarHBondContact O-NE2 3.22Å; F259-H262 PolarHBondContact O-N 3.21Å; L260-H262 PolarHBondContact O-N 3.42Å; H262-L264 PolarHBondContact O-N 2.98Å; H262-L264 VanDerWaalsContact O-N 3.07Å |
| 263 | K | 87.8 | Confident | 93.1 | Very high | 208 Ų | 208 | 49.1 Ų | 49.1 | 90% | 0.904 | 24% | 0.244 | S | C | * | . | trans | -74.8 | 97 | 173.9 | -68.7 | -174.2 | 179.9 | 179.9 | 0 | 109.8 | ||||
| 264 | L | 90 | Very high | 92.8 | Very high | 23 Ų | 23 | 51 Ų | 51 | 12% | 0.12 | 25% | 0.254 | C | S | . | . | trans | -80.4 | 147.5 | -179.6 | -58.8 | 176.3 | 0 | 0 | 0 | 112 | W207 F259 L260 H262 Y269 | W207-L264 HydrophobicContact CD2-CD2 4.09Å; W207-L264 HydrophobicContact CE3-CD2 3.67Å; W207-L264 HydrophobicContact CH2-CD2 4.43Å; W207-L264 HydrophobicContact CZ3-CD2 3.86Å; F259-L264 HydrophobicContact CD1-CD1 4.05Å; F259-L264 HydrophobicContact CE1-CD1 3.48Å; F259-L264 VanDerWaalsContact CE1-CD1 3.48Å; F259-L264 HydrophobicContact CE1-CD2 4.02Å; F259-L264 HydrophobicContact CE1-CG 4.42Å; F259-L264 HydrophobicContact CE2-CD2 4.04Å; F259-L264 HydrophobicContact CZ-CD1 3.99Å; F259-L264 HydrophobicContact CZ-CD2 3.74Å; L260-L264 HydrophobicContact CD2-CD1 3.89Å; H262-L264 PolarHBondContact O-N 2.98Å; H262-L264 VanDerWaalsContact O-N 3.07Å; L264-Y269 HydrophobicContact CB-CD2 4.46Å | ||
| 265 | P | 90.6 | Very high | 92.7 | Very high | 47 Ų | 47 | 49.2 Ų | 49.2 | 31% | 0.305 | 24% | 0.242 | S | C | . | . | trans | -55.1 | 143.4 | 167.6 | -25 | 33.7 | 0 | 0 | 0 | 112.3 | S267 L268 Y269 | P265-S267 PolarHBondContact O-N 3.23Å; P265-S267 VanDerWaalsContact O-N 3.13Å; P265-L268 HydrophobicContact CG-CD1 4.26Å; P265-L268 PolarHBondContact O-N 2.95Å; P265-Y269 PolarHBondContact O-N 3.36Å | ||
| 266 | L | 89.6 | Confident | 92.5 | Very high | 103 Ų | 103 | 49.2 Ų | 49.2 | 54% | 0.539 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.3 | -34.4 | -175.9 | -173.6 | 67.4 | 0 | 0 | 0 | 113.4 | Y269 K270 L304 | L266-Y269 PolarHBondContact O-N 3.19Å; L266-K270 WeakPolarHBondContact O-CG 3.24Å; L266-K270 PolarHBondContact O-N 2.96Å; L266-K270 VanDerWaalsContact O-N 3.09Å; L266-L304 HydrophobicContact CD1-CD1 3.74Å; L266-L304 HydrophobicContact CD1-CD2 4.45Å |
| 267 | S | 90.3 | Very high | 92.2 | Very high | 70 Ų | 70 | 51.2 Ų | 51.2 | 49% | 0.49 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 177 | 54.1 | 0 | 0 | 0 | 0 | 112.2 | P265 K271 | P265-S267 PolarHBondContact O-N 3.23Å; P265-S267 VanDerWaalsContact O-N 3.13Å; S267-K271 WeakPolarHBondContact O-CG 3.42Å; S267-K271 PolarHBondContact O-N 3.48Å |
| 268 | L | 92.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.5 | -40.3 | 176 | -77.6 | 172 | 0 | 0 | 0 | 111.5 | W207 N208 F211 P265 K270 K271 V272 | W207-L268 HydrophobicContact CB-CD1 3.32Å; W207-L268 HydrophobicContact CG-CD1 4.38Å; N208-L268 WeakPolarHBondContact OD1-CD2 3.26Å; F211-L268 HydrophobicContact CB-CD2 3.74Å; F211-L268 HydrophobicContact CD1-CD2 3.95Å; F211-L268 HydrophobicContact CG-CD2 3.8Å; P265-L268 HydrophobicContact CG-CD1 4.26Å; P265-L268 PolarHBondContact O-N 2.95Å; L268-K270 VanDerWaalsContact C-N 3.28Å; L268-K270 PolarHBondContact O-N 3.01Å; L268-K271 HydrophobicContact CD2-CD 4.27Å; L268-K271 WeakPolarHBondContact O-CB 3.34Å; L268-K271 PolarHBondContact O-N 3.47Å; L268-V272 WeakPolarHBondContact O-CG2 3.32Å; L268-V272 PolarHBondContact O-N 2.81Å |
| 269 | Y | 91.9 | Very high | 91.8 | Very high | 32 Ų | 32 | 54.6 Ų | 54.6 | 13% | 0.125 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.2 | -44.4 | 176 | -158.4 | -95.5 | 0 | 0 | 0 | 111.7 | L264 P265 L266 V272 L273 F293 A297 L300 L304 | L264-Y269 HydrophobicContact CB-CD2 4.46Å; P265-Y269 PolarHBondContact O-N 3.36Å; L266-Y269 PolarHBondContact O-N 3.19Å; Y269-V272 PolarHBondContact O-N 2.94Å; Y269-L273 HydrophobicContact CD1-CD1 3.8Å; Y269-L273 HydrophobicContact CD1-CG 4.44Å; Y269-L273 HydrophobicContact CE1-CD1 3.74Å; Y269-L273 HydrophobicContact CE1-CG 4.4Å; Y269-L273 WeakPolarHBondContact O-CG 3.41Å; Y269-L273 PolarHBondContact O-N 3.35Å; Y269-L273 VanDerWaalsContact O-N 3.1Å; Y269-F293 HydrophobicContact CD2-CE2 4.09Å; Y269-F293 HydrophobicContact CE2-CD2 4.13Å; Y269-F293 AromaticContact CE2-CE2 3.32Å; Y269-F293 HydrophobicContact CE2-CE2 3.32Å; Y269-F293 HydrophobicContact CE2-CZ 4.02Å; Y269-F293 AromaticContact CZ-CE2 3.63Å; Y269-F293 PolarHBondContact OH-O 3.31Å; Y269-A297 HydrophobicContact CE1-CB 3.77Å; Y269-A297 WeakPolarHBondContact OH-CB 3.46Å; Y269-L300 HydrophobicContact CE1-CD1 3.99Å; Y269-L304 HydrophobicContact CD1-CD1 3.95Å; Y269-L304 HydrophobicContact CD1-CD2 4.03Å; Y269-L304 HydrophobicContact CE1-CD1 4.13Å |
| 270 | K | 91.3 | Very high | 91.8 | Very high | 81 Ų | 81 | 54.6 Ų | 54.6 | 35% | 0.352 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 172.8 | -73.2 | 173.4 | -177.5 | 177.4 | 0 | 112.8 | L266 L268 L273 L274 L304 | L266-K270 WeakPolarHBondContact O-CG 3.24Å; L266-K270 PolarHBondContact O-N 2.96Å; L266-K270 VanDerWaalsContact O-N 3.09Å; L268-K270 VanDerWaalsContact C-N 3.28Å; L268-K270 PolarHBondContact O-N 3.01Å; K270-L273 PolarHBondContact O-N 3.48Å; K270-L274 PolarHBondContact O-N 2.9Å; K270-L274 VanDerWaalsContact O-N 3.08Å; K270-L304 HydrophobicContact CB-CD2 4.45Å; K270-L304 HydrophobicContact CD-CD2 4.42Å; K270-L304 HydrophobicContact CG-CD2 3.4Å; K270-L304 VanDerWaalsContact CG-CD2 3.4Å |
| 271 | K | 93.4 | Very high | 91.8 | Very high | 101 Ų | 101 | 53.7 Ų | 53.7 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 179.2 | -71.5 | 176.9 | 179.8 | -179.6 | 0 | 111.5 | F211 S267 L268 L274 | F211-K271 HydrophobicContact CD1-CD 4.38Å; F211-K271 HydrophobicContact CE1-CB 3.87Å; F211-K271 HydrophobicContact CE1-CD 3.94Å; F211-K271 HydrophobicContact CE1-CG 4.5Å; F211-K271 HydrophobicContact CE2-CB 4.25Å; F211-K271 HydrophobicContact CZ-CB 3.61Å; S267-K271 WeakPolarHBondContact O-CG 3.42Å; S267-K271 PolarHBondContact O-N 3.48Å; L268-K271 HydrophobicContact CD2-CD 4.27Å; L268-K271 WeakPolarHBondContact O-CB 3.34Å; L268-K271 PolarHBondContact O-N 3.47Å; K271-L274 WeakPolarHBondContact O-CB 3.32Å; K271-L274 PolarHBondContact O-N 3.43Å |
| 272 | V | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -50.4 | 177 | 178.1 | 0 | 0 | 0 | 0 | 111 | F211 W256 F259 L260 L268 Y269 L274 I275 T276 I280 F293 | F211-V272 HydrophobicContact CD2-CG2 3.69Å; F211-V272 HydrophobicContact CE2-CB 4.36Å; F211-V272 HydrophobicContact CE2-CG2 3.53Å; W256-V272 HydrophobicContact CZ3-CG1 4.22Å; W256-V272 HydrophobicContact CZ3-CG2 4.31Å; F259-V272 HydrophobicContact CE1-CG2 4.09Å; L260-V272 HydrophobicContact CD2-CG1 3.99Å; L268-V272 WeakPolarHBondContact O-CG2 3.32Å; L268-V272 PolarHBondContact O-N 2.81Å; Y269-V272 PolarHBondContact O-N 2.94Å; V272-L274 PolarHBondContact O-N 3.33Å; V272-I275 WeakPolarHBondContact O-CG1 3.43Å; V272-I275 PolarHBondContact O-N 3.23Å; V272-I275 VanDerWaalsContact O-N 3.16Å; V272-T276 PolarHBondContact O-N 3.19Å; V272-T276 PolarHBondContact O-OG1 3.22Å; V272-I280 HydrophobicContact CG1-CD1 3.91Å; V272-F293 HydrophobicContact CG1-CE1 4.48Å; V272-F293 HydrophobicContact CG1-CZ 4.15Å |
| 273 | L | 93.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.5 | -33 | 179.5 | -71.1 | 171.9 | 0 | 0 | 0 | 112.6 | Y269 K270 I275 T276 F293 L294 A297 L304 L307 A308 | Y269-L273 HydrophobicContact CD1-CD1 3.8Å; Y269-L273 HydrophobicContact CD1-CG 4.44Å; Y269-L273 HydrophobicContact CE1-CD1 3.74Å; Y269-L273 HydrophobicContact CE1-CG 4.4Å; Y269-L273 WeakPolarHBondContact O-CG 3.41Å; Y269-L273 PolarHBondContact O-N 3.35Å; Y269-L273 VanDerWaalsContact O-N 3.1Å; K270-L273 PolarHBondContact O-N 3.48Å; L273-I275 VanDerWaalsContact C-N 3.32Å; L273-I275 PolarHBondContact O-N 3.43Å; L273-T276 WeakPolarHBondContact CA-OG1 3.39Å; L273-T276 PolarHBondContact O-N 3.18Å; L273-F293 HydrophobicContact CD2-CE1 3.66Å; L273-F293 HydrophobicContact CD2-CZ 3.95Å; L273-F293 HydrophobicContact CG-CE1 4.5Å; L273-F293 HydrophobicContact CG-CZ 4.36Å; L273-L294 HydrophobicContact CD2-CD2 4Å; L273-A297 HydrophobicContact CD1-CB 3.96Å; L273-A297 HydrophobicContact CD2-CB 3.87Å; L273-L304 HydrophobicContact CD1-CB 4.14Å; L273-L304 HydrophobicContact CD1-CD2 3.89Å; L273-L307 HydrophobicContact CB-CB 3.75Å; L273-L307 HydrophobicContact CB-CD1 4.18Å; L273-L307 HydrophobicContact CD1-CB 4.39Å; L273-A308 HydrophobicContact CD2-CB 4.08Å |
| 274 | L | 91.8 | Very high | 92 | Very high | 64 Ų | 64 | 41 Ų | 41 | 34% | 0.335 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.4 | -42.9 | 178.3 | -165.2 | 77.8 | 0 | 0 | 0 | 112.3 | K270 K271 V272 H277 L307 Y343 R346 | K270-L274 PolarHBondContact O-N 2.9Å; K270-L274 VanDerWaalsContact O-N 3.08Å; K271-L274 WeakPolarHBondContact O-CB 3.32Å; K271-L274 PolarHBondContact O-N 3.43Å; V272-L274 PolarHBondContact O-N 3.33Å; L274-H277 PolarHBondContact O-CE1 3.27Å; L274-H277 PolarHBondContact O-ND1 3.45Å; L274-L307 HydrophobicContact CD1-CD2 3.97Å; L274-Y343 HydrophobicContact CD1-CD1 4.43Å; L274-Y343 HydrophobicContact CD1-CE1 3.76Å; L274-R346 VanDerWaalsContact CD1-NH1 3.28Å; L274-R346 PolarHBondContact O-NH1 3.4Å; L274-R346 PolarHBondContact O-NH2 2.89Å |
| 275 | I | 93.4 | Very high | 92.2 | Very high | 39 Ų | 39 | 42.2 Ų | 42.2 | 20% | 0.2 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -98.1 | -0.3 | -175.6 | 67.9 | 168.9 | 0 | 0 | 0 | 113.8 | F211 W256 V272 L273 H277 D278 A279 I280 | F211-I275 HydrophobicContact CE2-CD1 4.02Å; F211-I275 HydrophobicContact CZ-CD1 3.98Å; W256-I275 HydrophobicContact CH2-CD1 4.16Å; V272-I275 WeakPolarHBondContact O-CG1 3.43Å; V272-I275 PolarHBondContact O-N 3.23Å; V272-I275 VanDerWaalsContact O-N 3.16Å; L273-I275 VanDerWaalsContact C-N 3.32Å; L273-I275 PolarHBondContact O-N 3.43Å; I275-H277 PolarHBondContact O-N 2.74Å; I275-D278 WeakPolarHBondContact CA-OD1 3.48Å; I275-A279 HydrophobicContact CB-CB 4.23Å; I275-A279 WeakPolarHBondContact O-CB 3.41Å; I275-A279 PolarHBondContact O-N 2.67Å; I275-I280 HydrophobicContact CD1-CD1 4.26Å; I275-I280 HydrophobicContact CD1-CG1 4.46Å; I275-I280 HydrophobicContact CG1-CD1 4.03Å; I275-I280 HydrophobicContact CG1-CG1 4.33Å; I275-I280 PolarHBondContact O-N 3.47Å |
| 276 | T | 93.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -63.8 | -44 | -172.7 | -67.2 | 0 | 0 | 0 | 0 | 111.6 | V272 L273 D278 I280 L281 L294 | V272-T276 PolarHBondContact O-N 3.19Å; V272-T276 PolarHBondContact O-OG1 3.22Å; L273-T276 WeakPolarHBondContact CA-OG1 3.39Å; L273-T276 PolarHBondContact O-N 3.18Å; T276-D278 PolarHBondContact O-N 3.45Å; T276-I280 PolarHBondContact O-N 3.01Å; T276-L281 HydrophobicContact CG2-CD1 4.22Å; T276-L281 HydrophobicContact CG2-CD2 4.41Å; T276-L281 HydrophobicContact CG2-CG 3.89Å; T276-L281 WeakPolarHBondContact O-CB 3.36Å; T276-L281 WeakPolarHBondContact O-CG 3.27Å; T276-L281 PolarHBondContact O-N 3.16Å; T276-L294 HydrophobicContact CG2-CD2 4.18Å |
| 277 | H | 90.6 | Very high | 92.6 | Very high | 45 Ų | 45 | 40.3 Ų | 40.3 | 21% | 0.208 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -70.8 | -29.2 | -172.4 | 73.8 | -50 | 0 | 0 | 0 | 115.2 | L274 I275 N310 I314 R346 | L274-H277 PolarHBondContact O-CE1 3.27Å; L274-H277 PolarHBondContact O-ND1 3.45Å; I275-H277 PolarHBondContact O-N 2.74Å; H277-N310 PolarHBondContact CD2-ND2 3.22Å; H277-N310 PolarHBondContact NE2-ND2 2.91Å; H277-I314 HydrophobicContact CB-CD1 3.62Å; H277-I314 VanDerWaalsContact O-CD1 3.23Å; H277-I314 WeakPolarHBondContact O-CD1 3.35Å; H277-R346 PolarHBondContact CE1-NH2 3.39Å; H277-R346 PolarHBondContact ND1-NH2 3.5Å; H277-R346 PolarHBondContact NE2-NH2 2.87Å |
| 278 | D | 89.7 | Confident | 92.7 | Very high | 96 Ų | 96 | 38.9 Ų | 38.9 | 51% | 0.513 | 21% | 0.208 | S | C | . | . | I | π-helix | trans | -113.5 | -37.7 | -167.8 | 57.1 | -30.6 | 0 | 0 | 0 | 112.6 | I275 T276 | I275-D278 WeakPolarHBondContact CA-OD1 3.48Å; T276-D278 PolarHBondContact O-N 3.45Å |
| 279 | A | 91.9 | Very high | 92.8 | Very high | 37 Ų | 37 | 42.3 Ų | 42.3 | 31% | 0.306 | 23% | 0.226 | S | C | . | . | I | π-helix | trans | -98.8 | -43.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I275 Q283 | I275-A279 HydrophobicContact CB-CB 4.23Å; I275-A279 WeakPolarHBondContact O-CB 3.41Å; I275-A279 PolarHBondContact O-N 2.67Å; A279-Q283 VanDerWaalsContact O-CD 3.26Å; A279-Q283 WeakPolarHBondContact O-CG 3.13Å; A279-Q283 PolarHBondContact O-OE1 3.09Å |
| 280 | I | 94.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -87 | -62.8 | -170.2 | -53 | 177.4 | 0 | 0 | 0 | 111.6 | F252 W256 V272 I275 T276 P282 Q283 L284 | F252-I280 HydrophobicContact CE1-CG2 4.28Å; W256-I280 HydrophobicContact CD2-CD1 3.98Å; W256-I280 HydrophobicContact CD2-CG1 4.32Å; W256-I280 HydrophobicContact CD2-CG2 4.21Å; W256-I280 HydrophobicContact CE3-CD1 3.77Å; W256-I280 HydrophobicContact CG-CG2 4.08Å; W256-I280 HydrophobicContact CH2-CD1 3.65Å; W256-I280 HydrophobicContact CH2-CG1 4.25Å; W256-I280 HydrophobicContact CZ2-CD1 3.84Å; W256-I280 HydrophobicContact CZ2-CG1 3.94Å; W256-I280 HydrophobicContact CZ3-CD1 3.62Å; V272-I280 HydrophobicContact CG1-CD1 3.91Å; I275-I280 HydrophobicContact CD1-CD1 4.26Å; I275-I280 HydrophobicContact CD1-CG1 4.46Å; I275-I280 HydrophobicContact CG1-CD1 4.03Å; I275-I280 HydrophobicContact CG1-CG1 4.33Å; I275-I280 PolarHBondContact O-N 3.47Å; T276-I280 PolarHBondContact O-N 3.01Å; I280-P282 VanDerWaalsContact C-CD 3.46Å; I280-Q283 PolarHBondContact O-N 3.48Å; I280-L284 HydrophobicContact CG2-CD1 4.32Å; I280-L284 HydrophobicContact CG2-CD2 4.24Å; I280-L284 HydrophobicContact CG2-CG 4.34Å; I280-L284 PolarHBondContact O-N 3.04Å |
| 281 | L | 93.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -53 | -44.5 | -173 | -73.1 | -179.8 | 0 | 0 | 0 | 113.9 | T276 Q283 L284 P287 M290 I314 L315 | T276-L281 HydrophobicContact CG2-CD1 4.22Å; T276-L281 HydrophobicContact CG2-CD2 4.41Å; T276-L281 HydrophobicContact CG2-CG 3.89Å; T276-L281 WeakPolarHBondContact O-CB 3.36Å; T276-L281 WeakPolarHBondContact O-CG 3.27Å; T276-L281 PolarHBondContact O-N 3.16Å; L281-Q283 PolarHBondContact O-N 2.8Å; L281-Q283 VanDerWaalsContact O-N 3.16Å; L281-L284 HydrophobicContact CD2-CD1 4.04Å; L281-L284 PolarHBondContact O-N 3.29Å; L281-P287 HydrophobicContact CD2-CB 4.2Å; L281-P287 WeakPolarHBondContact O-CG 3.5Å; L281-M290 HydrophobicContact CD2-CB 3.92Å; L281-M290 HydrophobicContact CD2-CG 3.8Å; L281-I314 HydrophobicContact CD1-CB 4.17Å; L281-I314 HydrophobicContact CD1-CG2 4.12Å; L281-L315 HydrophobicContact CD1-CG 4.48Å; L281-L315 HydrophobicContact CD2-CD2 4.09Å |
| 282 | P | 92.1 | Very high | 92.8 | Very high | 73 Ų | 73 | 39.7 Ų | 39.7 | 47% | 0.474 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -65 | -19.8 | -178.6 | -23 | 36.2 | 0 | 0 | 0 | 114.3 | I280 | I280-P282 VanDerWaalsContact C-CD 3.46Š|
| 283 | Q | 92 | Very high | 92.7 | Very high | 37 Ų | 37 | 40.7 Ų | 40.7 | 17% | 0.173 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -99.1 | -10.7 | -174.3 | -66.4 | -175 | 2.1 | 0 | 0 | 113.3 | L219 R249 F252 A279 I280 L281 | L219-Q283 HydrophobicContact CB-CG 4.27Å; L219-Q283 HydrophobicContact CD1-CB 4.19Å; R249-Q283 WeakPolarHBondContact CG-O 3.3Å; F252-Q283 HydrophobicContact CD1-CB 3.82Å; F252-Q283 HydrophobicContact CE1-CB 3.52Å; F252-Q283 VanDerWaalsContact CE2-OE1 3.24Å; F252-Q283 HydrophobicContact CZ-CB 3.97Å; A279-Q283 VanDerWaalsContact O-CD 3.26Å; A279-Q283 WeakPolarHBondContact O-CG 3.13Å; A279-Q283 PolarHBondContact O-OE1 3.09Å; I280-Q283 PolarHBondContact O-N 3.48Å; L281-Q283 PolarHBondContact O-N 2.8Å; L281-Q283 VanDerWaalsContact O-N 3.16Å |
| 284 | L | 92.7 | Very high | 92.7 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | trans | -71.9 | 146.2 | 178.3 | -59.6 | 173.6 | 0 | 0 | 0 | 111.5 | F252 Q253 I280 L281 P287 M290 | F252-L284 HydrophobicContact CD1-CD2 3.96Å; F252-L284 HydrophobicContact CE1-CD2 4.18Å; Q253-L284 HydrophobicContact CB-CD2 3.79Å; Q253-L284 HydrophobicContact CG-CD2 4.14Å; I280-L284 HydrophobicContact CG2-CD1 4.32Å; I280-L284 HydrophobicContact CG2-CD2 4.24Å; I280-L284 HydrophobicContact CG2-CG 4.34Å; I280-L284 PolarHBondContact O-N 3.04Å; L281-L284 HydrophobicContact CD2-CD1 4.04Å; L281-L284 PolarHBondContact O-N 3.29Å; L284-P287 HydrophobicContact CB-CB 4.47Å; L284-P287 HydrophobicContact CB-CG 4.07Å; L284-P287 HydrophobicContact CD1-CB 4.48Å; L284-M290 HydrophobicContact CD1-CG 3.45Å; L284-M290 VanDerWaalsContact CD1-CG 3.45Å; L284-M290 HydrophobicContact CD1-SD 4.13Å | ||
| 285 | A | 93.1 | Very high | 92.7 | Very high | 49 Ų | 49 | 39 Ų | 39 | 41% | 0.405 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -68.4 | -36.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R249 K250 | R249-A285 HydrophobicContact CB-CB 4.05Å; K250-A285 HydrophobicContact CG-CB 4.02Å |
| 286 | Q | 93.9 | Very high | 92.6 | Very high | 100 Ų | 100 | 45.7 Ų | 45.7 | 47% | 0.467 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -138.2 | 87.9 | 178.3 | -175 | 179.2 | -12.4 | 0 | 0 | 109.3 | T288 L289 | Q286-T288 WeakPolarHBondContact CG-OG1 3.43Å; Q286-T288 PolarHBondContact NE2-OG1 2.56Å; Q286-T288 PolarHBondContact O-N 3.11Å; Q286-L289 HydrophobicContact CB-CD1 4.37Å; Q286-L289 HydrophobicContact CB-CG 4.49Å; Q286-L289 HydrophobicContact CG-CG 4.18Å; Q286-L289 PolarHBondContact O-N 3.14Å |
| 287 | P | 93.9 | Very high | 92.5 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 7% | 0.065 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -61.8 | -24.1 | -176.7 | -27 | 37.6 | 0 | 0 | 0 | 114.6 | L281 L284 L289 M290 L315 | L281-P287 HydrophobicContact CD2-CB 4.2Å; L281-P287 WeakPolarHBondContact O-CG 3.5Å; L284-P287 HydrophobicContact CB-CB 4.47Å; L284-P287 HydrophobicContact CB-CG 4.07Å; L284-P287 HydrophobicContact CD1-CB 4.48Å; P287-L289 PolarHBondContact O-N 2.86Å; P287-L289 VanDerWaalsContact O-N 3.14Å; P287-M290 WeakPolarHBondContact O-CB 3.42Å; P287-M290 PolarHBondContact O-N 3.45Å; P287-L315 HydrophobicContact CB-CD2 3.64Å; P287-L315 WeakPolarHBondContact O-CD2 3.49Å |
| 288 | T | 93 | Very high | 92.4 | Very high | 40 Ų | 40 | 43.6 Ų | 43.6 | 25% | 0.245 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -61.6 | -21.7 | -179.1 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | Q286 M290 I291 H319 | Q286-T288 WeakPolarHBondContact CG-OG1 3.43Å; Q286-T288 PolarHBondContact NE2-OG1 2.56Å; Q286-T288 PolarHBondContact O-N 3.11Å; T288-M290 PolarHBondContact O-N 3.41Å; T288-M290 VanDerWaalsContact O-N 3.12Å; T288-I291 WeakPolarHBondContact O-CB 3.16Å; T288-I291 VanDerWaalsContact O-CG2 3.26Å; T288-I291 WeakPolarHBondContact O-CG2 3.27Å; T288-I291 PolarHBondContact O-N 3.37Å; T288-I291 VanDerWaalsContact O-N 3.13Å; T288-H319 HydrophobicContact CG2-CB 4.06Å |
| 289 | L | 93.8 | Very high | 92.3 | Very high | 72 Ų | 72 | 43.5 Ų | 43.5 | 38% | 0.377 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -65.6 | -10.9 | 174.1 | -64.4 | 176.8 | 0 | 0 | 0 | 113.6 | L257 Q286 P287 I291 | L257-L289 HydrophobicContact CD1-CB 4.17Å; L257-L289 HydrophobicContact CD1-CD1 3.79Å; L257-L289 HydrophobicContact CD2-CB 4.42Å; Q286-L289 HydrophobicContact CB-CD1 4.37Å; Q286-L289 HydrophobicContact CB-CG 4.49Å; Q286-L289 HydrophobicContact CG-CG 4.18Å; Q286-L289 PolarHBondContact O-N 3.14Å; P287-L289 PolarHBondContact O-N 2.86Å; P287-L289 VanDerWaalsContact O-N 3.14Å; L289-I291 VanDerWaalsContact C-N 3.3Å |
| 290 | M | 94.1 | Very high | 92 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -83.3 | -4.2 | 174.7 | -64.4 | -87.2 | 63.2 | 0 | 0 | 114.1 | L257 L260 L281 L284 P287 T288 D292 F293 L294 L315 | L257-M290 HydrophobicContact CD2-CE 3.41Å; L257-M290 VanDerWaalsContact CD2-CE 3.41Å; L257-M290 HydrophobicContact CD2-SD 4.42Å; L260-M290 HydrophobicContact CD1-CE 3.5Å; L260-M290 HydrophobicContact CD1-SD 3.76Å; L281-M290 HydrophobicContact CD2-CB 3.92Å; L281-M290 HydrophobicContact CD2-CG 3.8Å; L284-M290 HydrophobicContact CD1-CG 3.45Å; L284-M290 VanDerWaalsContact CD1-CG 3.45Å; L284-M290 HydrophobicContact CD1-SD 4.13Å; P287-M290 WeakPolarHBondContact O-CB 3.42Å; P287-M290 PolarHBondContact O-N 3.45Å; T288-M290 PolarHBondContact O-N 3.41Å; T288-M290 VanDerWaalsContact O-N 3.12Å; M290-D292 PolarHBondContact O-N 3.29Å; M290-F293 HydrophobicContact CE-CB 3.87Å; M290-F293 HydrophobicContact CE-CD1 4.28Å; M290-F293 HydrophobicContact CE-CG 4.23Å; M290-F293 PolarHBondContact O-N 3.28Å; M290-L294 HydrophobicContact CB-CD1 4.16Å; M290-L294 HydrophobicContact CB-CG 4.49Å; M290-L294 WeakPolarHBondContact O-CB 3.34Å; M290-L294 VanDerWaalsContact O-CG 3.32Å; M290-L294 WeakPolarHBondContact O-CG 3.41Å; M290-L294 PolarHBondContact O-N 3.04Å; M290-L315 HydrophobicContact CB-CD1 4.5Å |
| 291 | I | 92.3 | Very high | 91.4 | Very high | 43 Ų | 43 | 48.3 Ų | 48.3 | 22% | 0.221 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.9 | -52.3 | -178.5 | -168.6 | 180 | 0 | 0 | 0 | 111.8 | T288 L289 F293 L294 T295 L321 | T288-I291 WeakPolarHBondContact O-CB 3.16Å; T288-I291 VanDerWaalsContact O-CG2 3.26Å; T288-I291 WeakPolarHBondContact O-CG2 3.27Å; T288-I291 PolarHBondContact O-N 3.37Å; T288-I291 VanDerWaalsContact O-N 3.13Å; L289-I291 VanDerWaalsContact C-N 3.3Å; I291-F293 VanDerWaalsContact C-N 3.27Å; I291-F293 PolarHBondContact O-N 2.91Å; I291-L294 PolarHBondContact O-N 3.26Å; I291-L294 VanDerWaalsContact O-N 3.1Å; I291-T295 WeakPolarHBondContact O-CB 3.13Å; I291-T295 PolarHBondContact O-N 3.22Å; I291-T295 PolarHBondContact O-OG1 3.03Å; I291-T295 VanDerWaalsContact O-OG1 3.05Å; I291-L321 HydrophobicContact CB-CD2 4.28Å; I291-L321 HydrophobicContact CD1-CD1 3.75Å; I291-L321 HydrophobicContact CD1-CD2 3.62Å; I291-L321 HydrophobicContact CD1-CG 4.08Å; I291-L321 HydrophobicContact CG1-CD2 3.84Å |
| 292 | D | 91.4 | Very high | 90.9 | Very high | 114 Ų | 114 | 50.6 Ų | 50.6 | 61% | 0.61 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61 | -38.6 | -176 | -68 | -17.8 | 0 | 0 | 0 | 112.1 | M290 R296 | M290-D292 PolarHBondContact O-N 3.29Å; D292-R296 WeakPolarHBondContact O-CB 3.28Å; D292-R296 WeakPolarHBondContact O-CG 3.38Å; D292-R296 PolarHBondContact O-N 3.05Å; D292-R296 VanDerWaalsContact O-N 3.1Å |
| 293 | F | 93.5 | Very high | 90.3 | Very high | 20 Ų | 20 | 48.6 Ų | 48.6 | 9% | 0.088 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.2 | -47.6 | 176 | 169.2 | -102.5 | 0 | 0 | 0 | 111.4 | L260 Y269 V272 L273 M290 I291 A297 | L260-F293 HydrophobicContact CB-CD2 4.42Å; L260-F293 HydrophobicContact CD1-CD1 4.38Å; L260-F293 HydrophobicContact CD1-CD2 4.43Å; L260-F293 HydrophobicContact CD1-CE1 4.43Å; L260-F293 HydrophobicContact CD1-CE2 4.48Å; L260-F293 HydrophobicContact CD1-CG 4.39Å; L260-F293 HydrophobicContact CD1-CZ 4.49Å; L260-F293 HydrophobicContact CD2-CD2 4.02Å; L260-F293 HydrophobicContact CD2-CE1 4.48Å; L260-F293 HydrophobicContact CD2-CE2 3.47Å; L260-F293 VanDerWaalsContact CD2-CE2 3.47Å; L260-F293 HydrophobicContact CD2-CZ 3.76Å; L260-F293 HydrophobicContact CG-CE2 4.41Å; Y269-F293 HydrophobicContact CD2-CE2 4.09Å; Y269-F293 HydrophobicContact CE2-CD2 4.13Å; Y269-F293 AromaticContact CE2-CE2 3.32Å; Y269-F293 HydrophobicContact CE2-CE2 3.32Å; Y269-F293 HydrophobicContact CE2-CZ 4.02Å; Y269-F293 AromaticContact CZ-CE2 3.63Å; Y269-F293 PolarHBondContact OH-O 3.31Å; V272-F293 HydrophobicContact CG1-CE1 4.48Å; V272-F293 HydrophobicContact CG1-CZ 4.15Å; L273-F293 HydrophobicContact CD2-CE1 3.66Å; L273-F293 HydrophobicContact CD2-CZ 3.95Å; L273-F293 HydrophobicContact CG-CE1 4.5Å; L273-F293 HydrophobicContact CG-CZ 4.36Å; M290-F293 HydrophobicContact CE-CB 3.87Å; M290-F293 HydrophobicContact CE-CD1 4.28Å; M290-F293 HydrophobicContact CE-CG 4.23Å; M290-F293 PolarHBondContact O-N 3.28Å; I291-F293 VanDerWaalsContact C-N 3.27Å; I291-F293 PolarHBondContact O-N 2.91Å; F293-A297 WeakPolarHBondContact O-CB 3.42Å; F293-A297 PolarHBondContact O-N 2.79Å |
| 294 | L | 93.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.7 | -38.8 | -178.1 | -69.5 | 170.7 | 0 | 0 | 0 | 112.4 | L273 T276 M290 I291 A297 C298 A308 L312 L315 | L273-L294 HydrophobicContact CD2-CD2 4Å; T276-L294 HydrophobicContact CG2-CD2 4.18Å; M290-L294 HydrophobicContact CB-CD1 4.16Å; M290-L294 HydrophobicContact CB-CG 4.49Å; M290-L294 WeakPolarHBondContact O-CB 3.34Å; M290-L294 VanDerWaalsContact O-CG 3.32Å; M290-L294 WeakPolarHBondContact O-CG 3.41Å; M290-L294 PolarHBondContact O-N 3.04Å; I291-L294 PolarHBondContact O-N 3.26Å; I291-L294 VanDerWaalsContact O-N 3.1Å; L294-A297 WeakPolarHBondContact O-CB 3.34Å; L294-A297 PolarHBondContact O-N 3.44Å; L294-C298 PolarHBondContact O-N 2.99Å; L294-A308 HydrophobicContact CD2-CB 4.26Å; L294-L312 HydrophobicContact CB-CD2 3.67Å; L294-L312 HydrophobicContact CB-CG 3.85Å; L294-L312 HydrophobicContact CD1-CD2 4.19Å; L294-L312 HydrophobicContact CD1-CG 4.4Å; L294-L315 HydrophobicContact CD1-CD1 3.72Å |
| 295 | T | 91 | Very high | 89.9 | Confident | 31 Ų | 31 | 47.2 Ų | 47.2 | 19% | 0.19 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 175 | -61 | 0 | 0 | 0 | 0 | 110.6 | I291 A297 C298 D299 Y323 | I291-T295 WeakPolarHBondContact O-CB 3.13Å; I291-T295 PolarHBondContact O-N 3.22Å; I291-T295 PolarHBondContact O-OG1 3.03Å; I291-T295 VanDerWaalsContact O-OG1 3.05Å; T295-A297 VanDerWaalsContact C-N 3.3Å; T295-A297 PolarHBondContact O-N 2.63Å; T295-C298 WeakPolarHBondContact O-CA 3.26Å; T295-C298 WeakPolarHBondContact O-CB 3.4Å; T295-C298 PolarHBondContact O-N 3.49Å; T295-C298 VanDerWaalsContact O-N 3.08Å; T295-D299 PolarHBondContact O-N 2.83Å; T295-Y323 HydrophobicContact CG2-CE2 4.1Å |
| 296 | R | 90.6 | Very high | 89.4 | Confident | 179 Ų | 179 | 45.5 Ų | 45.5 | 68% | 0.675 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -59.2 | -41.2 | 172.8 | -73.6 | 176.5 | -174.6 | -155.5 | 3 | 112 | D292 C298 D299 L300 | D292-R296 WeakPolarHBondContact O-CB 3.28Å; D292-R296 WeakPolarHBondContact O-CG 3.38Å; D292-R296 PolarHBondContact O-N 3.05Å; D292-R296 VanDerWaalsContact O-N 3.1Å; R296-C298 VanDerWaalsContact C-N 3.29Å; R296-C298 PolarHBondContact O-N 3.15Å; R296-D299 PolarHBondContact O-N 3.45Å; R296-L300 WeakPolarHBondContact O-CG 3.26Å; R296-L300 PolarHBondContact O-N 3.28Å; R296-L300 VanDerWaalsContact O-N 3.17Å |
| 297 | A | 91.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.5 | -35.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y269 L273 F293 L294 T295 S305 A308 | Y269-A297 HydrophobicContact CE1-CB 3.77Å; Y269-A297 WeakPolarHBondContact OH-CB 3.46Å; L273-A297 HydrophobicContact CD1-CB 3.96Å; L273-A297 HydrophobicContact CD2-CB 3.87Å; F293-A297 WeakPolarHBondContact O-CB 3.42Å; F293-A297 PolarHBondContact O-N 2.79Å; L294-A297 WeakPolarHBondContact O-CB 3.34Å; L294-A297 PolarHBondContact O-N 3.44Å; T295-A297 VanDerWaalsContact C-N 3.3Å; T295-A297 PolarHBondContact O-N 2.63Å; A297-S305 PolarHBondContact O-N 2.96Å; A297-A308 HydrophobicContact CB-CB 3.56Å |
| 298 | C | 88.6 | Confident | 89 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.02 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.8 | -40.1 | 172 | -78.2 | 0 | 0 | 0 | 0 | 112.9 | L294 T295 R296 L300 G301 S305 A308 L312 | L294-C298 PolarHBondContact O-N 2.99Å; T295-C298 WeakPolarHBondContact O-CA 3.26Å; T295-C298 WeakPolarHBondContact O-CB 3.4Å; T295-C298 PolarHBondContact O-N 3.49Å; T295-C298 VanDerWaalsContact O-N 3.08Å; R296-C298 VanDerWaalsContact C-N 3.29Å; R296-C298 PolarHBondContact O-N 3.15Å; C298-L300 VanDerWaalsContact C-N 3.26Å; C298-L300 PolarHBondContact O-N 3.36Å; C298-G301 PolarHBondContact O-N 3.05Å; C298-G301 VanDerWaalsContact O-N 3.12Å; C298-S305 WeakPolarHBondContact O-CB 3.41Å; C298-S305 PolarHBondContact O-OG 3.45Å; C298-A308 VanDerWaalsContact SG-CB 3.56Å; C298-L312 VanDerWaalsContact SG-CD1 3.54Å |
| 299 | D | 87.6 | Confident | 88.8 | Confident | 93 Ų | 93 | 38.6 Ų | 38.6 | 50% | 0.497 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.5 | -26.1 | 179.8 | -68.1 | -32.2 | 0 | 0 | 0 | 113.3 | T295 R296 G301 K329 | T295-D299 PolarHBondContact O-N 2.83Å; R296-D299 PolarHBondContact O-N 3.45Å; D299-G301 PolarHBondContact O-N 3.1Å; D299-K329 WeakPolarHBondContact OD1-CE 3.4Å; D299-K329 IonicContact OD1-NZ 3.24Å; D299-K329 PolarHBondContact OD1-NZ 3.28Å |
| 300 | L | 85.9 | Confident | 88.5 | Confident | 112 Ų | 112 | 35.7 Ų | 35.7 | 59% | 0.586 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -17.9 | 173.1 | -68.1 | 172.2 | 0 | 0 | 0 | 113.5 | Y269 R296 C298 L304 | Y269-L300 HydrophobicContact CE1-CD1 3.99Å; R296-L300 WeakPolarHBondContact O-CG 3.26Å; R296-L300 PolarHBondContact O-N 3.28Å; R296-L300 VanDerWaalsContact O-N 3.17Å; C298-L300 VanDerWaalsContact C-N 3.26Å; C298-L300 PolarHBondContact O-N 3.36Å; L300-L304 HydrophobicContact CB-CD1 3.9Å; L300-L304 HydrophobicContact CD1-CD1 3.68Å; L300-L304 HydrophobicContact CG-CD1 4.44Å |
| 301 | G | 82 | Confident | 88.4 | Confident | 28 Ų | 28 | 35.7 Ų | 35.7 | 29% | 0.289 | 20% | 0.199 | S | C | . | . | trans | 72.1 | -176.9 | 175 | 0 | 0 | 0 | 0 | 0 | 115.6 | C298 D299 L304 S305 | C298-G301 PolarHBondContact O-N 3.05Å; C298-G301 VanDerWaalsContact O-N 3.12Å; D299-G301 PolarHBondContact O-N 3.1Å; G301-L304 PolarHBondContact O-N 3.13Å; G301-S305 PolarHBondContact O-N 3.12Å | ||
| 302 | G | 82.4 | Confident | 88.3 | Confident | 48 Ų | 48 | 33.6 Ų | 33.6 | 50% | 0.495 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | 56.4 | -140.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L304 S305 L306 | G302-L304 PolarHBondContact O-N 3.04Å; G302-S305 PolarHBondContact O-N 3.36Å; G302-L306 WeakPolarHBondContact O-CG 3.44Å; G302-L306 PolarHBondContact O-N 3.14Å |
| 303 | A | 80.4 | Confident | 88.2 | Confident | 31 Ų | 31 | 29.3 Ų | 29.3 | 26% | 0.256 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61 | -26.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L307 Y343 | A303-L307 WeakPolarHBondContact O-CG 3.43Å; A303-L307 PolarHBondContact O-N 3.19Å; A303-Y343 HydrophobicContact CB-CD2 4.42Å |
| 304 | L | 86.9 | Confident | 88 | Confident | 12 Ų | 12 | 29.4 Ų | 29.4 | 6% | 0.063 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.4 | -43.9 | 178.3 | -61.7 | -175.2 | 0 | 0 | 0 | 111.4 | L266 Y269 K270 L273 L300 G301 G302 L306 L307 A308 | L266-L304 HydrophobicContact CD1-CD1 3.74Å; L266-L304 HydrophobicContact CD1-CD2 4.45Å; Y269-L304 HydrophobicContact CD1-CD1 3.95Å; Y269-L304 HydrophobicContact CD1-CD2 4.03Å; Y269-L304 HydrophobicContact CE1-CD1 4.13Å; K270-L304 HydrophobicContact CB-CD2 4.45Å; K270-L304 HydrophobicContact CD-CD2 4.42Å; K270-L304 HydrophobicContact CG-CD2 3.4Å; K270-L304 VanDerWaalsContact CG-CD2 3.4Å; L273-L304 HydrophobicContact CD1-CB 4.14Å; L273-L304 HydrophobicContact CD1-CD2 3.89Å; L300-L304 HydrophobicContact CB-CD1 3.9Å; L300-L304 HydrophobicContact CD1-CD1 3.68Å; L300-L304 HydrophobicContact CG-CD1 4.44Å; G301-L304 PolarHBondContact O-N 3.13Å; G302-L304 PolarHBondContact O-N 3.04Å; L304-L306 VanDerWaalsContact C-N 3.28Å; L304-L306 PolarHBondContact O-N 2.74Å; L304-L307 PolarHBondContact O-N 3.4Å; L304-A308 WeakPolarHBondContact O-CB 3.39Å; L304-A308 PolarHBondContact O-N 3.18Å |
| 305 | S | 88.5 | Confident | 87.9 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.1 | -39.1 | 177.8 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | A297 C298 G301 G302 L307 A308 L309 L333 | A297-S305 PolarHBondContact O-N 2.96Å; C298-S305 WeakPolarHBondContact O-CB 3.41Å; C298-S305 PolarHBondContact O-OG 3.45Å; G301-S305 PolarHBondContact O-N 3.12Å; G302-S305 PolarHBondContact O-N 3.36Å; S305-L307 VanDerWaalsContact C-N 3.35Å; S305-L307 PolarHBondContact O-N 3.2Å; S305-A308 PolarHBondContact O-N 3.43Å; S305-L309 WeakPolarHBondContact O-CG 3.41Å; S305-L309 PolarHBondContact O-N 2.99Å; S305-L333 WeakPolarHBondContact OG-CD1 3.36Å |
| 306 | L | 83.4 | Confident | 87.7 | Confident | 13 Ų | 13 | 29.6 Ų | 29.6 | 7% | 0.068 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.4 | -44.4 | 174.9 | -60.8 | 173.8 | 0 | 0 | 0 | 112 | G302 L304 L333 V341 F347 | G302-L306 WeakPolarHBondContact O-CG 3.44Å; G302-L306 PolarHBondContact O-N 3.14Å; L304-L306 VanDerWaalsContact C-N 3.28Å; L304-L306 PolarHBondContact O-N 2.74Å; L306-L333 HydrophobicContact CD2-CB 4.01Å; L306-L333 HydrophobicContact CD2-CD1 3.71Å; L306-L333 HydrophobicContact CD2-CD2 4.46Å; L306-L333 HydrophobicContact CD2-CG 4.27Å; L306-L333 HydrophobicContact CG-CD1 4.42Å; L306-V341 HydrophobicContact CD1-CG2 3.97Å; L306-F347 HydrophobicContact CD2-CB 4.16Å; L306-F347 HydrophobicContact CD2-CD2 3.12Å; L306-F347 HydrophobicContact CD2-CE2 3.52Å; L306-F347 HydrophobicContact CD2-CG 3.75Å; L306-F347 HydrophobicContact CD2-CZ 4.47Å; L306-F347 HydrophobicContact CG-CD2 4.41Å |
| 307 | L | 87.6 | Confident | 87.5 | Confident | 4 Ų | 4 | 25.8 Ų | 25.8 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71 | -39.1 | 179.3 | -65.1 | 171.1 | 0 | 0 | 0 | 111.9 | L273 L274 A303 L304 S305 N310 Y343 | L273-L307 HydrophobicContact CB-CB 3.75Å; L273-L307 HydrophobicContact CB-CD1 4.18Å; L273-L307 HydrophobicContact CD1-CB 4.39Å; L274-L307 HydrophobicContact CD1-CD2 3.97Å; A303-L307 WeakPolarHBondContact O-CG 3.43Å; A303-L307 PolarHBondContact O-N 3.19Å; L304-L307 PolarHBondContact O-N 3.4Å; S305-L307 VanDerWaalsContact C-N 3.35Å; S305-L307 PolarHBondContact O-N 3.2Å; L307-N310 WeakPolarHBondContact O-CB 3.43Å; L307-N310 PolarHBondContact O-N 3.38Å; L307-Y343 HydrophobicContact CD1-CE2 4.41Å; L307-Y343 HydrophobicContact CD2-CD1 4.43Å; L307-Y343 HydrophobicContact CD2-CG 4.38Å |
| 308 | A | 92.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.4 | -36.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L273 L294 A297 C298 L304 S305 N310 G311 L312 | L273-A308 HydrophobicContact CD2-CB 4.08Å; L294-A308 HydrophobicContact CD2-CB 4.26Å; A297-A308 HydrophobicContact CB-CB 3.56Å; C298-A308 VanDerWaalsContact SG-CB 3.56Å; L304-A308 WeakPolarHBondContact O-CB 3.39Å; L304-A308 PolarHBondContact O-N 3.18Å; S305-A308 PolarHBondContact O-N 3.43Å; A308-N310 PolarHBondContact O-N 3.42Å; A308-G311 PolarHBondContact O-N 3.22Å; A308-L312 PolarHBondContact O-N 3.37Å |
| 309 | L | 88.3 | Confident | 87.3 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.6 | -31.3 | 177.5 | -81.9 | 179.8 | 0 | 0 | 0 | 113 | S305 L312 F313 F326 L330 L333 F354 | S305-L309 WeakPolarHBondContact O-CG 3.41Å; S305-L309 PolarHBondContact O-N 2.99Å; L309-L312 HydrophobicContact CD2-CD1 4.37Å; L309-L312 PolarHBondContact O-N 2.95Å; L309-F313 WeakPolarHBondContact O-CB 3.35Å; L309-F313 PolarHBondContact O-N 2.77Å; L309-F326 HydrophobicContact CD2-CD2 4Å; L309-F326 HydrophobicContact CD2-CE2 3.76Å; L309-L330 HydrophobicContact CD1-CB 4.34Å; L309-L330 HydrophobicContact CD1-CD1 3.84Å; L309-L333 HydrophobicContact CD1-CD1 3.25Å; L309-L333 HydrophobicContact CG-CD1 4.24Å; L309-F354 HydrophobicContact CB-CE2 4.32Å |
| 310 | N | 88 | Confident | 87.2 | Confident | 11 Ų | 11 | 38.5 Ų | 38.5 | 6% | 0.059 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.1 | -44.9 | 175 | -163 | 1.4 | 0 | 0 | 0 | 111.7 | H277 L307 A308 F313 I314 R346 L350 | H277-N310 PolarHBondContact CD2-ND2 3.22Å; H277-N310 PolarHBondContact NE2-ND2 2.91Å; L307-N310 WeakPolarHBondContact O-CB 3.43Å; L307-N310 PolarHBondContact O-N 3.38Å; A308-N310 PolarHBondContact O-N 3.42Å; N310-F313 PolarHBondContact O-N 3.2Å; N310-I314 PolarHBondContact O-N 2.94Å; N310-R346 PolarHBondContact ND2-NE 3.03Å; N310-R346 PolarHBondContact ND2-NH2 2.95Å; N310-L350 HydrophobicContact CB-CD1 3.62Å; N310-L350 HydrophobicContact CB-CD2 4.33Å; N310-L350 WeakPolarHBondContact OD1-CD2 3.5Å |
| 311 | G | 90.9 | Very high | 87.3 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A308 F313 I314 L315 | A308-G311 PolarHBondContact O-N 3.22Å; G311-F313 VanDerWaalsContact C-N 3.35Å; G311-F313 PolarHBondContact O-N 3.23Å; G311-I314 PolarHBondContact O-N 3.24Å; G311-L315 PolarHBondContact O-N 2.91Å; G311-L315 VanDerWaalsContact O-N 3.12Å |
| 312 | L | 91.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.5 | -42.6 | 177.2 | -72.9 | 175.5 | 0 | 0 | 0 | 111.8 | L294 C298 A308 L309 I314 L315 I316 Y323 | L294-L312 HydrophobicContact CB-CD2 3.67Å; L294-L312 HydrophobicContact CB-CG 3.85Å; L294-L312 HydrophobicContact CD1-CD2 4.19Å; L294-L312 HydrophobicContact CD1-CG 4.4Å; C298-L312 VanDerWaalsContact SG-CD1 3.54Å; A308-L312 PolarHBondContact O-N 3.37Å; L309-L312 HydrophobicContact CD2-CD1 4.37Å; L309-L312 PolarHBondContact O-N 2.95Å; L312-I314 VanDerWaalsContact C-N 3.31Å; L312-I314 PolarHBondContact O-N 3.13Å; L312-L315 WeakPolarHBondContact O-CB 3.4Å; L312-L315 PolarHBondContact O-N 3.44Å; L312-L315 VanDerWaalsContact O-N 3.09Å; L312-I316 WeakPolarHBondContact O-CD1 3.48Å; L312-I316 VanDerWaalsContact O-CG1 3.24Å; L312-I316 WeakPolarHBondContact O-CG1 3.4Å; L312-I316 PolarHBondContact O-N 3.5Å; L312-Y323 HydrophobicContact CD1-CE1 4.21Å |
| 313 | F | 87.9 | Confident | 87.4 | Confident | 24 Ų | 24 | 40.9 Ų | 40.9 | 11% | 0.105 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.9 | -42.5 | 177.8 | 177.5 | -98.3 | 0 | 0 | 0 | 112.4 | L309 N310 G311 L315 I316 H317 F326 L353 F354 | L309-F313 WeakPolarHBondContact O-CB 3.35Å; L309-F313 PolarHBondContact O-N 2.77Å; N310-F313 PolarHBondContact O-N 3.2Å; G311-F313 VanDerWaalsContact C-N 3.35Å; G311-F313 PolarHBondContact O-N 3.23Å; F313-L315 VanDerWaalsContact C-N 3.33Å; F313-L315 PolarHBondContact O-N 3.02Å; F313-I316 PolarHBondContact O-N 3.1Å; F313-H317 AromaticContact CD2-CE1 3.23Å; F313-H317 WeakPolarHBondContact CD2-CE1 3.34Å; F313-H317 AromaticContact CD2-ND1 3.25Å; F313-H317 VanDerWaalsContact CD2-ND1 3.25Å; F313-H317 WeakPolarHBondContact CD2-ND1 3.5Å; F313-H317 AromaticContact CE2-CD2 3.89Å; F313-H317 AromaticContact CE2-CE1 2.91Å; F313-H317 WeakPolarHBondContact CE2-CE1 3.48Å; F313-H317 AromaticContact CE2-CG 3.82Å; F313-H317 AromaticContact CE2-ND1 3.2Å; F313-H317 WeakPolarHBondContact CE2-ND1 3.46Å; F313-H317 AromaticContact CE2-NE2 3.34Å; F313-H317 VanDerWaalsContact CE2-NE2 3.34Å; F313-H317 WeakPolarHBondContact CE2-NE2 3.35Å; F313-H317 AromaticContact CG-ND1 3.76Å; F313-H317 AromaticContact CZ-CD2 3.82Å; F313-H317 AromaticContact CZ-CE1 3.62Å; F313-H317 AromaticContact CZ-CG 3.76Å; F313-H317 AromaticContact CZ-ND1 3.62Å; F313-H317 AromaticContact CZ-NE2 3.72Å; F313-H317 WeakPolarHBondContact O-CB 3.44Å; F313-H317 PolarHBondContact O-N 3.32Å; F313-H317 PolarHBondContact O-ND1 3.17Å; F313-F326 HydrophobicContact CB-CE2 4.32Å; F313-F326 HydrophobicContact CB-CZ 4.25Å; F313-F326 HydrophobicContact CD2-CZ 4.08Å; F313-L353 HydrophobicContact CD1-CD2 4.39Å; F313-L353 HydrophobicContact CE1-CD2 3.63Å; F313-L353 HydrophobicContact CE1-CG 4.13Å; F313-L353 HydrophobicContact CZ-CD2 3.95Å; F313-L353 HydrophobicContact CZ-CG 3.92Å; F313-F354 HydrophobicContact CB-CD1 4.17Å; F313-F354 HydrophobicContact CB-CE1 3.34Å; F313-F354 HydrophobicContact CB-CZ 3.53Å; F313-F354 HydrophobicContact CD1-CD1 4.1Å; F313-F354 AromaticContact CD1-CE1 3.53Å; F313-F354 HydrophobicContact CD1-CE1 3.53Å; F313-F354 HydrophobicContact CD1-CZ 4.49Å; F313-F354 AromaticContact CD2-CD1 3.03Å; F313-F354 HydrophobicContact CD2-CD1 3.03Å; F313-F354 AromaticContact CD2-CE1 3.12Å; F313-F354 HydrophobicContact CD2-CE1 3.12Å; F313-F354 AromaticContact CD2-CG 3.92Å; F313-F354 HydrophobicContact CD2-CG 3.92Å; F313-F354 HydrophobicContact CD2-CZ 4.02Å; F313-F354 HydrophobicContact CE1-CD1 4.23Å; F313-F354 HydrophobicContact CE1-CE1 4.04Å; F313-F354 AromaticContact CE2-CD1 3.17Å; F313-F354 HydrophobicContact CE2-CD1 3.17Å; F313-F354 AromaticContact CE2-CE1 3.66Å; F313-F354 HydrophobicContact CE2-CE1 3.66Å; F313-F354 HydrophobicContact CE2-CG 4.12Å; F313-F354 AromaticContact CG-CD1 3.52Å; F313-F354 HydrophobicContact CG-CD1 3.52Å; F313-F354 AromaticContact CG-CE1 3.02Å; F313-F354 HydrophobicContact CG-CE1 3.02Å; F313-F354 AromaticContact CG-CZ 3.79Å; F313-F354 HydrophobicContact CG-CZ 3.79Å; F313-F354 AromaticContact CZ-CD1 3.81Å; F313-F354 HydrophobicContact CZ-CD1 3.81Å; F313-F354 HydrophobicContact CZ-CE1 4.09Å |
| 314 | I | 88.8 | Confident | 87.4 | Confident | 22 Ų | 22 | 45.2 Ų | 45.2 | 11% | 0.113 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 174.8 | -69.4 | 179.7 | 0 | 0 | 0 | 110.8 | H277 L281 N310 G311 L312 K318 | H277-I314 HydrophobicContact CB-CD1 3.62Å; H277-I314 VanDerWaalsContact O-CD1 3.23Å; H277-I314 WeakPolarHBondContact O-CD1 3.35Å; L281-I314 HydrophobicContact CD1-CB 4.17Å; L281-I314 HydrophobicContact CD1-CG2 4.12Å; N310-I314 PolarHBondContact O-N 2.94Å; G311-I314 PolarHBondContact O-N 3.24Å; L312-I314 VanDerWaalsContact C-N 3.31Å; L312-I314 PolarHBondContact O-N 3.13Å; I314-K318 HydrophobicContact CG2-CD 4.14Å; I314-K318 HydrophobicContact CG2-CG 4.42Å; I314-K318 VanDerWaalsContact O-CB 3.31Å; I314-K318 WeakPolarHBondContact O-CB 3.45Å; I314-K318 PolarHBondContact O-N 3.28Å |
| 315 | L | 91.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 176.9 | -65.5 | -178.6 | 0 | 0 | 0 | 112 | L281 P287 M290 L294 G311 L312 F313 H319 N320 L321 | L281-L315 HydrophobicContact CD1-CG 4.48Å; L281-L315 HydrophobicContact CD2-CD2 4.09Å; P287-L315 HydrophobicContact CB-CD2 3.64Å; P287-L315 WeakPolarHBondContact O-CD2 3.49Å; M290-L315 HydrophobicContact CB-CD1 4.5Å; L294-L315 HydrophobicContact CD1-CD1 3.72Å; G311-L315 PolarHBondContact O-N 2.91Å; G311-L315 VanDerWaalsContact O-N 3.12Å; L312-L315 WeakPolarHBondContact O-CB 3.4Å; L312-L315 PolarHBondContact O-N 3.44Å; L312-L315 VanDerWaalsContact O-N 3.09Å; F313-L315 VanDerWaalsContact C-N 3.33Å; F313-L315 PolarHBondContact O-N 3.02Å; L315-H319 CarbonylContact O-C 3.25Å; L315-H319 VanDerWaalsContact O-C 3.25Å; L315-H319 VanDerWaalsContact O-CA 3.31Å; L315-H319 WeakPolarHBondContact O-CA 3.42Å; L315-H319 WeakPolarHBondContact O-CB 3.12Å; L315-H319 PolarHBondContact O-N 3.24Å; L315-H319 VanDerWaalsContact O-N 3.08Å; L315-N320 PolarHBondContact O-N 2.98Å; L315-L321 HydrophobicContact CB-CB 4.05Å; L315-L321 HydrophobicContact CB-CD2 3.7Å; L315-L321 HydrophobicContact CD1-CD2 4.12Å; L315-L321 WeakPolarHBondContact O-CB 3.47Å; L315-L321 PolarHBondContact O-N 3Å; L315-L321 VanDerWaalsContact O-N 3.12Å |
| 316 | I | 88.6 | Confident | 87.4 | Confident | 36 Ų | 36 | 48.5 Ų | 48.5 | 19% | 0.185 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.4 | -48.5 | 178 | -65.7 | 161.1 | 0 | 0 | 0 | 110.6 | L312 F313 N320 L321 F326 | L312-I316 WeakPolarHBondContact O-CD1 3.48Å; L312-I316 VanDerWaalsContact O-CG1 3.24Å; L312-I316 WeakPolarHBondContact O-CG1 3.4Å; L312-I316 PolarHBondContact O-N 3.5Å; F313-I316 PolarHBondContact O-N 3.1Å; I316-N320 WeakPolarHBondContact O-CA 3.27Å; I316-N320 PolarHBondContact O-N 3.36Å; I316-L321 WeakPolarHBondContact CA-O 3.4Å; I316-L321 WeakPolarHBondContact CG1-O 3.3Å; I316-F326 HydrophobicContact CD1-CB 4.21Å; I316-F326 HydrophobicContact CD1-CD2 3.41Å; I316-F326 VanDerWaalsContact CD1-CD2 3.41Å; I316-F326 HydrophobicContact CD1-CE2 3.9Å; I316-F326 HydrophobicContact CD1-CG 3.86Å |
| 317 | H | 84.7 | Confident | 87.8 | Confident | 98 Ų | 98 | 50.4 Ų | 50.4 | 45% | 0.454 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -86.5 | -34.4 | -170.4 | -71.9 | 69.4 | 0 | 0 | 0 | 114.3 | F313 | F313-H317 AromaticContact CD2-CE1 3.23Å; F313-H317 WeakPolarHBondContact CD2-CE1 3.34Å; F313-H317 AromaticContact CD2-ND1 3.25Å; F313-H317 VanDerWaalsContact CD2-ND1 3.25Å; F313-H317 WeakPolarHBondContact CD2-ND1 3.5Å; F313-H317 AromaticContact CE2-CD2 3.89Å; F313-H317 AromaticContact CE2-CE1 2.91Å; F313-H317 WeakPolarHBondContact CE2-CE1 3.48Å; F313-H317 AromaticContact CE2-CG 3.82Å; F313-H317 AromaticContact CE2-ND1 3.2Å; F313-H317 WeakPolarHBondContact CE2-ND1 3.46Å; F313-H317 AromaticContact CE2-NE2 3.34Å; F313-H317 VanDerWaalsContact CE2-NE2 3.34Å; F313-H317 WeakPolarHBondContact CE2-NE2 3.35Å; F313-H317 AromaticContact CG-ND1 3.76Å; F313-H317 AromaticContact CZ-CD2 3.82Å; F313-H317 AromaticContact CZ-CE1 3.62Å; F313-H317 AromaticContact CZ-CG 3.76Å; F313-H317 AromaticContact CZ-ND1 3.62Å; F313-H317 AromaticContact CZ-NE2 3.72Å; F313-H317 WeakPolarHBondContact O-CB 3.44Å; F313-H317 PolarHBondContact O-N 3.32Å; F313-H317 PolarHBondContact O-ND1 3.17Å |
| 318 | K | 88 | Confident | 88 | Confident | 150 Ų | 150 | 55.5 Ų | 55.5 | 65% | 0.652 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -100.2 | -23.3 | -177.3 | -60.1 | -166.5 | -176.7 | 176.6 | 0 | 113.7 | I314 | I314-K318 HydrophobicContact CG2-CD 4.14Å; I314-K318 HydrophobicContact CG2-CG 4.42Å; I314-K318 VanDerWaalsContact O-CB 3.31Å; I314-K318 WeakPolarHBondContact O-CB 3.45Å; I314-K318 PolarHBondContact O-N 3.28Å |
| 319 | H | 88.4 | Confident | 87.9 | Confident | 73 Ų | 73 | 58.5 Ų | 58.5 | 34% | 0.338 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -119.7 | 13 | -177.1 | -60.5 | -72.1 | 0 | 0 | 0 | 112.8 | T288 L315 L321 | T288-H319 HydrophobicContact CG2-CB 4.06Å; L315-H319 CarbonylContact O-C 3.25Å; L315-H319 VanDerWaalsContact O-C 3.25Å; L315-H319 VanDerWaalsContact O-CA 3.31Å; L315-H319 WeakPolarHBondContact O-CA 3.42Å; L315-H319 WeakPolarHBondContact O-CB 3.12Å; L315-H319 PolarHBondContact O-N 3.24Å; L315-H319 VanDerWaalsContact O-N 3.08Å; H319-L321 PolarHBondContact O-N 3.17Å; H319-L321 VanDerWaalsContact O-N 3.14Å |
| 320 | N | 85.6 | Confident | 88.1 | Confident | 141 Ų | 141 | 58.5 Ų | 58.5 | 75% | 0.754 | 28% | 0.282 | S | S | * | . | trans | 50.8 | 37.2 | 176 | -59.5 | 24.6 | 0 | 0 | 0 | 112.8 | L315 I316 | L315-N320 PolarHBondContact O-N 2.98Å; I316-N320 WeakPolarHBondContact O-CA 3.27Å; I316-N320 PolarHBondContact O-N 3.36Å | ||
| 321 | L | 87.8 | Confident | 88.4 | Confident | 29 Ų | 29 | 58 Ų | 58 | 15% | 0.152 | 28% | 0.279 | C | S | . | . | trans | -75.1 | 128.8 | 177.9 | -175.4 | 75.1 | 0 | 0 | 0 | 110.3 | I291 L315 I316 H319 | I291-L321 HydrophobicContact CB-CD2 4.28Å; I291-L321 HydrophobicContact CD1-CD1 3.75Å; I291-L321 HydrophobicContact CD1-CD2 3.62Å; I291-L321 HydrophobicContact CD1-CG 4.08Å; I291-L321 HydrophobicContact CG1-CD2 3.84Å; L315-L321 HydrophobicContact CB-CB 4.05Å; L315-L321 HydrophobicContact CB-CD2 3.7Å; L315-L321 HydrophobicContact CD1-CD2 4.12Å; L315-L321 WeakPolarHBondContact O-CB 3.47Å; L315-L321 PolarHBondContact O-N 3Å; L315-L321 VanDerWaalsContact O-N 3.12Å; I316-L321 WeakPolarHBondContact CA-O 3.4Å; I316-L321 WeakPolarHBondContact CG1-O 3.3Å; H319-L321 PolarHBondContact O-N 3.17Å; H319-L321 VanDerWaalsContact O-N 3.14Å | ||
| 322 | E | 83.1 | Confident | 88.4 | Confident | 175 Ų | 175 | 59.8 Ų | 59.8 | 82% | 0.818 | 30% | 0.298 | S | S | * | . | trans | -83.1 | 119.8 | 170.3 | -65.8 | -178.2 | -179.9 | 0 | 0 | 110.1 | ||||
| 323 | Y | 84.4 | Confident | 88.4 | Confident | 33 Ų | 33 | 60.5 Ų | 60.5 | 13% | 0.129 | 30% | 0.302 | C | S | . | . | trans | -131.8 | 90.1 | 173.3 | -170.6 | -102.1 | 0 | 0 | 0 | 109.5 | T295 L312 D325 F326 | T295-Y323 HydrophobicContact CG2-CE2 4.1Å; L312-Y323 HydrophobicContact CD1-CE1 4.21Å; Y323-D325 VanDerWaalsContact C-N 3.3Å; Y323-D325 HydrophobicContact CE1-CB 4.32Å; Y323-D325 PolarHBondContact O-N 3.44Å; Y323-F326 VanDerWaalsContact CD1-CA 3.49Å; Y323-F326 HydrophobicContact CD1-CB 3.74Å; Y323-F326 HydrophobicContact CD1-CD2 4.28Å; Y323-F326 HydrophobicContact CE1-CB 4.45Å; Y323-F326 WeakPolarHBondContact O-CB 3.13Å; Y323-F326 PolarHBondContact O-N 3.42Å | ||
| 324 | P | 80.4 | Confident | 88.5 | Confident | 122 Ų | 122 | 59.9 Ų | 59.9 | 79% | 0.792 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -38.7 | -170 | -27.5 | 35 | 0 | 0 | 0 | 114.1 | F326 | P324-F326 VanDerWaalsContact C-N 3.26Å; P324-F326 PolarHBondContact O-N 3.16Å |
| 325 | D | 85.8 | Confident | 88.6 | Confident | 76 Ų | 76 | 61.8 Ų | 61.8 | 41% | 0.406 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 11.6 | -176.1 | -72.5 | -54.3 | 0 | 0 | 0 | 114.1 | Y323 Y327 R328 K329 | Y323-D325 VanDerWaalsContact C-N 3.3Å; Y323-D325 HydrophobicContact CE1-CB 4.32Å; Y323-D325 PolarHBondContact O-N 3.44Å; D325-Y327 PolarHBondContact O-N 3.43Å; D325-R328 PolarHBondContact O-N 3.48Å; D325-K329 WeakPolarHBondContact O-CB 3.39Å; D325-K329 WeakPolarHBondContact O-CG 2.96Å; D325-K329 PolarHBondContact O-N 2.84Å |
| 326 | F | 89.5 | Confident | 88.5 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -52.7 | -57.3 | -175.5 | -176.4 | -103.2 | 0 | 0 | 0 | 112.4 | L309 F313 I316 Y323 P324 R328 K329 L330 F354 | L309-F326 HydrophobicContact CD2-CD2 4Å; L309-F326 HydrophobicContact CD2-CE2 3.76Å; F313-F326 HydrophobicContact CB-CE2 4.32Å; F313-F326 HydrophobicContact CB-CZ 4.25Å; F313-F326 HydrophobicContact CD2-CZ 4.08Å; I316-F326 HydrophobicContact CD1-CB 4.21Å; I316-F326 HydrophobicContact CD1-CD2 3.41Å; I316-F326 VanDerWaalsContact CD1-CD2 3.41Å; I316-F326 HydrophobicContact CD1-CE2 3.9Å; I316-F326 HydrophobicContact CD1-CG 3.86Å; Y323-F326 VanDerWaalsContact CD1-CA 3.49Å; Y323-F326 HydrophobicContact CD1-CB 3.74Å; Y323-F326 HydrophobicContact CD1-CD2 4.28Å; Y323-F326 HydrophobicContact CE1-CB 4.45Å; Y323-F326 WeakPolarHBondContact O-CB 3.13Å; Y323-F326 PolarHBondContact O-N 3.42Å; P324-F326 VanDerWaalsContact C-N 3.26Å; P324-F326 PolarHBondContact O-N 3.16Å; F326-R328 VanDerWaalsContact C-N 3.33Å; F326-R328 PolarHBondContact O-N 3.3Å; F326-K329 PolarHBondContact O-N 3.33Å; F326-L330 HydrophobicContact CE1-CD2 4.47Å; F326-L330 WeakPolarHBondContact O-CB 3.35Å; F326-L330 PolarHBondContact O-N 2.96Å; F326-F354 HydrophobicContact CE1-CB 4.16Å; F326-F354 AromaticContact CE1-CD2 3.87Å; F326-F354 HydrophobicContact CE1-CD2 3.87Å; F326-F354 HydrophobicContact CE1-CE2 4.43Å; F326-F354 AromaticContact CE1-CG 4Å; F326-F354 HydrophobicContact CE1-CG 4Å; F326-F354 HydrophobicContact CE2-CE2 4.4Å; F326-F354 HydrophobicContact CZ-CB 4.48Å; F326-F354 HydrophobicContact CZ-CD1 4.28Å; F326-F354 AromaticContact CZ-CD2 3.48Å; F326-F354 HydrophobicContact CZ-CD2 3.48Å; F326-F354 VanDerWaalsContact CZ-CD2 3.48Å; F326-F354 HydrophobicContact CZ-CE1 4.41Å; F326-F354 AromaticContact CZ-CE2 3.6Å; F326-F354 HydrophobicContact CZ-CE2 3.6Å; F326-F354 AromaticContact CZ-CG 3.82Å; F326-F354 HydrophobicContact CZ-CG 3.82Å; F326-F354 HydrophobicContact CZ-CZ 4.06Å |
| 327 | Y | 90.8 | Very high | 88.5 | Confident | 53 Ų | 53 | 66.4 Ų | 66.4 | 21% | 0.208 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -72.7 | -29.4 | -176.6 | -69.3 | -74.9 | 0 | 0 | 0 | 112.6 | D325 L330 Y331 F354 L355 L360 L364 F368 | D325-Y327 PolarHBondContact O-N 3.43Å; Y327-L330 HydrophobicContact CD1-CD2 4.25Å; Y327-L330 PolarHBondContact O-N 3.06Å; Y327-Y331 WeakPolarHBondContact O-CB 3.34Å; Y327-Y331 PolarHBondContact O-N 2.85Å; Y327-F354 PolarHBondContact OH-O 3.02Å; Y327-L355 HydrophobicContact CD1-CD2 4.35Å; Y327-L355 HydrophobicContact CE1-CD2 4.14Å; Y327-L360 HydrophobicContact CE1-CD1 4.32Å; Y327-L360 HydrophobicContact CE1-CD2 4.2Å; Y327-L360 HydrophobicContact CE2-CD2 3.94Å; Y327-L360 VanDerWaalsContact OH-CD2 3.26Å; Y327-L360 WeakPolarHBondContact OH-CD2 3.47Å; Y327-L364 HydrophobicContact CD1-CD2 3.87Å; Y327-L364 HydrophobicContact CD2-CD2 3.89Å; Y327-L364 HydrophobicContact CE1-CD2 4.24Å; Y327-L364 HydrophobicContact CE2-CD2 4.26Å; Y327-L364 HydrophobicContact CG-CD1 4.3Å; Y327-L364 HydrophobicContact CG-CD2 3.71Å; Y327-F368 HydrophobicContact CD1-CE2 4.2Å; Y327-F368 HydrophobicContact CD1-CZ 4.46Å |
| 328 | R | 92.3 | Very high | 88.7 | Confident | 111 Ų | 111 | 61.9 Ų | 61.9 | 42% | 0.419 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 172.9 | -170.7 | -178.9 | -174.7 | 174 | 6.4 | 111 | D325 F326 Y331 G332 K423 | D325-R328 PolarHBondContact O-N 3.48Å; F326-R328 VanDerWaalsContact C-N 3.33Å; F326-R328 PolarHBondContact O-N 3.3Å; R328-Y331 PolarHBondContact O-N 3.04Å; R328-G332 PolarHBondContact O-N 2.97Å; R328-K423 WeakPolarHBondContact CG-O 3.37Å |
| 329 | K | 90.4 | Very high | 88.8 | Confident | 64 Ų | 64 | 55.1 Ų | 55.1 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.3 | -46.9 | 174.9 | -72.1 | -70.9 | -171.3 | 174.1 | 0 | 111.5 | D299 D325 F326 Y331 G332 L333 | D299-K329 WeakPolarHBondContact OD1-CE 3.4Å; D299-K329 IonicContact OD1-NZ 3.24Å; D299-K329 PolarHBondContact OD1-NZ 3.28Å; D325-K329 WeakPolarHBondContact O-CB 3.39Å; D325-K329 WeakPolarHBondContact O-CG 2.96Å; D325-K329 PolarHBondContact O-N 2.84Å; F326-K329 PolarHBondContact O-N 3.33Å; K329-Y331 VanDerWaalsContact C-N 3.3Å; K329-Y331 PolarHBondContact O-N 2.97Å; K329-G332 PolarHBondContact O-N 2.96Å; K329-L333 WeakPolarHBondContact O-CG 3.4Å; K329-L333 PolarHBondContact O-N 3.11Å |
| 330 | L | 91.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 176.9 | -178.6 | 67 | 0 | 0 | 0 | 111.7 | L309 F326 Y327 L333 F347 F354 F368 | L309-L330 HydrophobicContact CD1-CB 4.34Å; L309-L330 HydrophobicContact CD1-CD1 3.84Å; F326-L330 HydrophobicContact CE1-CD2 4.47Å; F326-L330 WeakPolarHBondContact O-CB 3.35Å; F326-L330 PolarHBondContact O-N 2.96Å; Y327-L330 HydrophobicContact CD1-CD2 4.25Å; Y327-L330 PolarHBondContact O-N 3.06Å; L330-L333 PolarHBondContact O-N 3.5Å; L330-F347 HydrophobicContact CD1-CE2 3.76Å; L330-F347 HydrophobicContact CD1-CZ 4.33Å; L330-F354 HydrophobicContact CD1-CD2 4.01Å; L330-F354 HydrophobicContact CD1-CE2 4.37Å; L330-F354 HydrophobicContact CD2-CB 4.11Å; L330-F354 HydrophobicContact CD2-CD2 3.85Å; L330-F368 HydrophobicContact CB-CE1 4.4Å; L330-F368 HydrophobicContact CB-CZ 4.06Å; L330-F368 HydrophobicContact CD2-CE1 3.93Å; L330-F368 HydrophobicContact CD2-CZ 3.8Å; L330-F368 HydrophobicContact CG-CE1 3.8Å; L330-F368 HydrophobicContact CG-CZ 3.85Å |
| 331 | Y | 93.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 177.3 | -173.6 | -121.8 | 0 | 0 | 0 | 111.4 | Y327 R328 K329 L333 L334 A367 F368 R371 Y418 E422 K423 P425 | Y327-Y331 WeakPolarHBondContact O-CB 3.34Å; Y327-Y331 PolarHBondContact O-N 2.85Å; R328-Y331 PolarHBondContact O-N 3.04Å; K329-Y331 VanDerWaalsContact C-N 3.3Å; K329-Y331 PolarHBondContact O-N 2.97Å; Y331-L333 PolarHBondContact O-N 2.93Å; Y331-L334 WeakPolarHBondContact O-CB 3.44Å; Y331-L334 PolarHBondContact O-N 3.09Å; Y331-A367 HydrophobicContact CE2-CB 4.01Å; Y331-A367 WeakPolarHBondContact CE2-O 3.33Å; Y331-F368 HydrophobicContact CD2-CD1 4.21Å; Y331-F368 HydrophobicContact CD2-CD2 4.41Å; Y331-F368 HydrophobicContact CD2-CE1 4.12Å; Y331-F368 HydrophobicContact CD2-CE2 4.33Å; Y331-F368 HydrophobicContact CD2-CG 4.34Å; Y331-F368 HydrophobicContact CD2-CZ 4.19Å; Y331-F368 HydrophobicContact CG-CZ 4.4Å; Y331-R371 VanDerWaalsContact C-NH1 3.32Å; Y331-R371 VanDerWaalsContact CD1-CZ 3.44Å; Y331-R371 HydrophobicContact CD2-CB 4.45Å; Y331-R371 HydrophobicContact CE2-CB 3.58Å; Y331-R371 VanDerWaalsContact CE2-CD 3.41Å; Y331-R371 HydrophobicContact CE2-CG 4.1Å; Y331-R371 PolarHBondContact O-NH1 3.27Å; Y331-R371 PolarHBondContact OH-NE 3.5Å; Y331-R371 PolarHBondContact OH-NH2 3.49Å; Y331-Y418 PolarHBondContact OH-OH 3.47Å; Y331-E422 WeakPolarHBondContact CE1-O 3.3Å; Y331-K423 WeakPolarHBondContact CD1-O 3.35Å; Y331-P425 HydrophobicContact CD1-CB 3.99Å; Y331-P425 HydrophobicContact CD1-CG 4.32Å; Y331-P425 HydrophobicContact CD2-CB 4.33Å; Y331-P425 HydrophobicContact CE1-CB 4.16Å; Y331-P425 HydrophobicContact CG-CB 4.08Å; Y331-P425 HydrophobicContact CG-CG 4.38Å |
| 332 | G | 91.5 | Very high | 88.5 | Confident | 40 Ų | 40 | 60.1 Ų | 60.1 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.2 | -16.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R328 K329 | R328-G332 PolarHBondContact O-N 2.97Å; K329-G332 PolarHBondContact O-N 2.96Å |
| 333 | L | 90.6 | Very high | 88.6 | Confident | 16 Ų | 16 | 54.7 Ų | 54.7 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -8.4 | 174.8 | -65.1 | 171.9 | 0 | 0 | 0 | 113.5 | S305 L306 L309 K329 L330 Y331 D335 F347 | S305-L333 WeakPolarHBondContact OG-CD1 3.36Å; L306-L333 HydrophobicContact CD2-CB 4.01Å; L306-L333 HydrophobicContact CD2-CD1 3.71Å; L306-L333 HydrophobicContact CD2-CD2 4.46Å; L306-L333 HydrophobicContact CD2-CG 4.27Å; L306-L333 HydrophobicContact CG-CD1 4.42Å; L309-L333 HydrophobicContact CD1-CD1 3.25Å; L309-L333 HydrophobicContact CG-CD1 4.24Å; K329-L333 WeakPolarHBondContact O-CG 3.4Å; K329-L333 PolarHBondContact O-N 3.11Å; L330-L333 PolarHBondContact O-N 3.5Å; Y331-L333 PolarHBondContact O-N 2.93Å; L333-D335 VanDerWaalsContact C-N 3.3Å; L333-D335 PolarHBondContact O-N 3.4Å; L333-D335 VanDerWaalsContact O-N 3.1Å; L333-F347 HydrophobicContact CB-CE2 4.31Å |
| 334 | L | 92 | Very high | 88.8 | Confident | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | trans | -81.8 | 81.9 | 171.1 | -69.3 | 176.7 | 0 | 0 | 0 | 109.2 | Y331 F347 F368 R371 L372 L375 | Y331-L334 WeakPolarHBondContact O-CB 3.44Å; Y331-L334 PolarHBondContact O-N 3.09Å; L334-F347 HydrophobicContact CD2-CE1 3.49Å; L334-F347 VanDerWaalsContact CD2-CE1 3.49Å; L334-F347 HydrophobicContact CD2-CZ 3.51Å; L334-F347 HydrophobicContact CG-CZ 4.13Å; L334-F368 HydrophobicContact CD1-CD1 3.48Å; L334-F368 VanDerWaalsContact CD1-CD1 3.48Å; L334-F368 HydrophobicContact CD1-CE1 3.76Å; L334-R371 HydrophobicContact CB-CG 4Å; L334-R371 HydrophobicContact CD1-CG 4.44Å; L334-R371 WeakPolarHBondContact O-CD 3.44Å; L334-L372 HydrophobicContact CD1-CD2 4.1Å; L334-L372 HydrophobicContact CD1-CG 4.13Å; L334-L372 HydrophobicContact CD2-CD2 3.69Å; L334-L375 HydrophobicContact CB-CD1 3.86Å; L334-L375 WeakPolarHBondContact O-CD1 3.44Å | ||
| 335 | D | 89.8 | Confident | 89.3 | Confident | 62 Ų | 62 | 50.1 Ų | 50.1 | 33% | 0.332 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -120.8 | 166.6 | 171.1 | 76.9 | 78.3 | 0 | 0 | 0 | 110.3 | L333 S337 V338 | L333-D335 VanDerWaalsContact C-N 3.3Å; L333-D335 PolarHBondContact O-N 3.4Å; L333-D335 VanDerWaalsContact O-N 3.1Å; D335-S337 PolarHBondContact O-N 2.91Å; D335-S337 WeakPolarHBondContact OD1-CA 3.32Å; D335-S337 WeakPolarHBondContact OD1-CB 3.32Å; D335-S337 PolarHBondContact OD1-N 3.37Å; D335-S337 PolarHBondContact OD1-OG 3.1Å; D335-S337 PolarHBondContact OD2-OG 3.28Å; D335-V338 VanDerWaalsContact O-CB 3.27Å; D335-V338 WeakPolarHBondContact O-CB 3.5Å; D335-V338 WeakPolarHBondContact O-CG1 3.5Å; D335-V338 PolarHBondContact O-N 3.31Å |
| 336 | P | 89.9 | Confident | 89.4 | Confident | 76 Ų | 76 | 49 Ų | 49 | 49% | 0.494 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -54.9 | -28.4 | -176.3 | -27.7 | 36 | 0 | 0 | 0 | 114.8 | V338 L375 | P336-V338 PolarHBondContact O-N 3.38Å; P336-L375 HydrophobicContact CG-CD2 3.88Å |
| 337 | S | 89.1 | Confident | 89.4 | Confident | 58 Ų | 58 | 49 Ų | 49 | 41% | 0.406 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -69.3 | -18.4 | 179.2 | 77.2 | 0 | 0 | 0 | 0 | 113.3 | D335 F339 H340 V341 | D335-S337 PolarHBondContact O-N 2.91Å; D335-S337 WeakPolarHBondContact OD1-CA 3.32Å; D335-S337 WeakPolarHBondContact OD1-CB 3.32Å; D335-S337 PolarHBondContact OD1-N 3.37Å; D335-S337 PolarHBondContact OD1-OG 3.1Å; D335-S337 PolarHBondContact OD2-OG 3.28Å; S337-F339 PolarHBondContact O-N 3.25Å; S337-F339 VanDerWaalsContact O-N 3.11Å; S337-H340 WeakPolarHBondContact O-CA 3.39Å; S337-H340 PolarHBondContact O-N 3.34Å; S337-V341 WeakPolarHBondContact O-CG1 3.42Å; S337-V341 PolarHBondContact O-N 2.73Å; S337-V341 VanDerWaalsContact O-N 3.14Å |
| 338 | V | 88.9 | Confident | 89.4 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -60.4 | -25.4 | -176.5 | 81.1 | 0 | 0 | 0 | 0 | 113.2 | D335 P336 H340 V341 R344 F347 F348 | D335-V338 VanDerWaalsContact O-CB 3.27Å; D335-V338 WeakPolarHBondContact O-CB 3.5Å; D335-V338 WeakPolarHBondContact O-CG1 3.5Å; D335-V338 PolarHBondContact O-N 3.31Å; P336-V338 PolarHBondContact O-N 3.38Å; V338-H340 VanDerWaalsContact C-N 3.31Å; V338-V341 WeakPolarHBondContact O-CG2 3.32Å; V338-R344 WeakPolarHBondContact O-CB 3.48Å; V338-F347 HydrophobicContact CG2-CD1 3.46Å; V338-F347 VanDerWaalsContact CG2-CD1 3.46Å; V338-F347 HydrophobicContact CG2-CE1 3.44Å; V338-F347 VanDerWaalsContact CG2-CE1 3.44Å; V338-F347 HydrophobicContact CG2-CG 4.18Å; V338-F347 HydrophobicContact CG2-CZ 4.1Å; V338-F348 HydrophobicContact CG1-CE2 4.31Å; V338-F348 HydrophobicContact CG1-CZ 4.05Å; V338-F348 HydrophobicContact CG2-CE2 4.29Å; V338-F348 HydrophobicContact CG2-CZ 4.49Å |
| 339 | F | 89.4 | Confident | 89.4 | Confident | 7 Ų | 7 | 46 Ų | 46 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -79.5 | -15.3 | 175.7 | -57.3 | -53.2 | 0 | 0 | 0 | 113.5 | S337 R344 F348 L375 A379 A383 V387 | S337-F339 PolarHBondContact O-N 3.25Å; S337-F339 VanDerWaalsContact O-N 3.11Å; F339-R344 WeakPolarHBondContact O-CD 3.43Å; F339-F348 AromaticContact CD1-CE2 3.96Å; F339-F348 HydrophobicContact CD1-CE2 3.96Å; F339-F348 AromaticContact CD1-CZ 3.9Å; F339-F348 HydrophobicContact CD1-CZ 3.9Å; F339-F348 HydrophobicContact CE1-CE1 4.39Å; F339-F348 HydrophobicContact CE1-CE2 4.02Å; F339-F348 AromaticContact CE1-CZ 3.47Å; F339-F348 HydrophobicContact CE1-CZ 3.47Å; F339-F348 VanDerWaalsContact CE1-CZ 3.47Å; F339-L375 HydrophobicContact CE2-CB 3.78Å; F339-L375 HydrophobicContact CZ-CB 3.97Å; F339-A379 HydrophobicContact CD2-CB 3.72Å; F339-A379 HydrophobicContact CE2-CB 3.6Å; F339-A379 HydrophobicContact CG-CB 4.32Å; F339-A379 HydrophobicContact CZ-CB 4.15Å; F339-A383 HydrophobicContact CB-CB 4.03Å; F339-A383 HydrophobicContact CD1-CB 3.69Å; F339-A383 HydrophobicContact CE1-CB 4.35Å; F339-A383 HydrophobicContact CG-CB 3.92Å; F339-V387 HydrophobicContact CD1-CG2 4.36Å; F339-V387 HydrophobicContact CE1-CG2 3.39Å; F339-V387 HydrophobicContact CZ-CG2 3.89Å |
| 340 | H | 86.3 | Confident | 89.3 | Confident | 134 Ų | 134 | 43.4 Ų | 43.4 | 62% | 0.62 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | -7.8 | -174.9 | -57.5 | -70.2 | 0 | 0 | 0 | 113.3 | S337 V338 | S337-H340 WeakPolarHBondContact O-CA 3.39Å; S337-H340 PolarHBondContact O-N 3.34Å; V338-H340 VanDerWaalsContact C-N 3.31Å |
| 341 | V | 84.8 | Confident | 89.3 | Confident | 30 Ų | 30 | 43.5 Ų | 43.5 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -69.6 | 143.2 | 177.7 | -64.8 | 0 | 0 | 0 | 0 | 112.1 | L306 S337 V338 Y343 R344 | L306-V341 HydrophobicContact CD1-CG2 3.97Å; S337-V341 WeakPolarHBondContact O-CG1 3.42Å; S337-V341 PolarHBondContact O-N 2.73Å; S337-V341 VanDerWaalsContact O-N 3.14Å; V338-V341 WeakPolarHBondContact O-CG2 3.32Å; V341-Y343 PolarHBondContact O-N 3.11Å; V341-R344 HydrophobicContact CG2-CB 4.07Å; V341-R344 WeakPolarHBondContact O-CB 3.33Å; V341-R344 PolarHBondContact O-N 3.08Å |
| 342 | K | 84.6 | Confident | 89.2 | Confident | 185 Ų | 185 | 44.9 Ų | 44.9 | 80% | 0.804 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -32.3 | 177.5 | -176 | 174.6 | -177.9 | 174.9 | 0 | 113.6 | ||
| 343 | Y | 84.6 | Confident | 89.1 | Confident | 60 Ų | 60 | 46.6 Ų | 46.6 | 24% | 0.235 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 22.6 | -175.8 | -56 | -73 | 0 | 0 | 0 | 113.4 | L274 A303 L307 V341 A345 R346 F347 | L274-Y343 HydrophobicContact CD1-CD1 4.43Å; L274-Y343 HydrophobicContact CD1-CE1 3.76Å; A303-Y343 HydrophobicContact CB-CD2 4.42Å; L307-Y343 HydrophobicContact CD1-CE2 4.41Å; L307-Y343 HydrophobicContact CD2-CD1 4.43Å; L307-Y343 HydrophobicContact CD2-CG 4.38Å; V341-Y343 PolarHBondContact O-N 3.11Å; Y343-A345 PolarHBondContact O-N 3.3Å; Y343-R346 PolarHBondContact O-N 3.3Å; Y343-F347 PolarHBondContact O-N 3.21Å |
| 344 | R | 89.1 | Confident | 89 | Confident | 39 Ų | 39 | 46 Ų | 46 | 15% | 0.147 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.4 | -43.7 | -177.2 | 69.6 | -176.7 | 179.2 | 92 | 1 | 113.1 | V338 F339 V341 R346 F347 F348 L471 L473 | V338-R344 WeakPolarHBondContact O-CB 3.48Å; F339-R344 WeakPolarHBondContact O-CD 3.43Å; V341-R344 HydrophobicContact CG2-CB 4.07Å; V341-R344 WeakPolarHBondContact O-CB 3.33Å; V341-R344 PolarHBondContact O-N 3.08Å; R344-R346 VanDerWaalsContact C-N 3.31Å; R344-R346 PolarHBondContact O-N 3.25Å; R344-F347 WeakPolarHBondContact O-CB 3.11Å; R344-F347 PolarHBondContact O-N 3.41Å; R344-F347 VanDerWaalsContact O-N 3.11Å; R344-F348 WeakPolarHBondContact O-CD2 3.49Å; R344-F348 PolarHBondContact O-N 3.29Å; R344-L471 PolarHBondContact NH1-O 2.87Å; R344-L473 PolarHBondContact NH2-O 3.25Å |
| 345 | A | 90.1 | Very high | 89 | Confident | 20 Ų | 20 | 45.6 Ų | 45.6 | 17% | 0.165 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.6 | -47.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y343 F348 H349 L471 E472 | Y343-A345 PolarHBondContact O-N 3.3Å; A345-F348 PolarHBondContact O-N 2.89Å; A345-H349 VanDerWaalsContact O-CB 3.31Å; A345-H349 WeakPolarHBondContact O-CB 3.5Å; A345-H349 PolarHBondContact O-N 3.26Å; A345-L471 HydrophobicContact CB-CB 3.91Å; A345-L471 WeakPolarHBondContact CB-O 3.39Å; A345-E472 HydrophobicContact CB-CG 3.98Å |
| 346 | R | 87.8 | Confident | 88.9 | Confident | 52 Ų | 52 | 45.4 Ų | 45.4 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.3 | -41.4 | 176.3 | -172.2 | 173.4 | -177.1 | 179.5 | -2.9 | 111.8 | L274 H277 N310 Y343 R344 L350 | L274-R346 VanDerWaalsContact CD1-NH1 3.28Å; L274-R346 PolarHBondContact O-NH1 3.4Å; L274-R346 PolarHBondContact O-NH2 2.89Å; H277-R346 PolarHBondContact CE1-NH2 3.39Å; H277-R346 PolarHBondContact ND1-NH2 3.5Å; H277-R346 PolarHBondContact NE2-NH2 2.87Å; N310-R346 PolarHBondContact ND2-NE 3.03Å; N310-R346 PolarHBondContact ND2-NH2 2.95Å; Y343-R346 PolarHBondContact O-N 3.3Å; R344-R346 VanDerWaalsContact C-N 3.31Å; R344-R346 PolarHBondContact O-N 3.25Å; R346-L350 HydrophobicContact CG-CD1 4.05Å; R346-L350 WeakPolarHBondContact O-CB 3.5Å; R346-L350 WeakPolarHBondContact O-CG 3.24Å; R346-L350 PolarHBondContact O-N 3.4Å |
| 347 | F | 89.7 | Confident | 88.7 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61 | -51.8 | 176.7 | 169.8 | -104.2 | 0 | 0 | 0 | 112 | L306 L330 L333 L334 V338 Y343 R344 H349 L350 A351 | L306-F347 HydrophobicContact CD2-CB 4.16Å; L306-F347 HydrophobicContact CD2-CD2 3.12Å; L306-F347 HydrophobicContact CD2-CE2 3.52Å; L306-F347 HydrophobicContact CD2-CG 3.75Å; L306-F347 HydrophobicContact CD2-CZ 4.47Å; L306-F347 HydrophobicContact CG-CD2 4.41Å; L330-F347 HydrophobicContact CD1-CE2 3.76Å; L330-F347 HydrophobicContact CD1-CZ 4.33Å; L333-F347 HydrophobicContact CB-CE2 4.31Å; L334-F347 HydrophobicContact CD2-CE1 3.49Å; L334-F347 VanDerWaalsContact CD2-CE1 3.49Å; L334-F347 HydrophobicContact CD2-CZ 3.51Å; L334-F347 HydrophobicContact CG-CZ 4.13Å; V338-F347 HydrophobicContact CG2-CD1 3.46Å; V338-F347 VanDerWaalsContact CG2-CD1 3.46Å; V338-F347 HydrophobicContact CG2-CE1 3.44Å; V338-F347 VanDerWaalsContact CG2-CE1 3.44Å; V338-F347 HydrophobicContact CG2-CG 4.18Å; V338-F347 HydrophobicContact CG2-CZ 4.1Å; Y343-F347 PolarHBondContact O-N 3.21Å; R344-F347 WeakPolarHBondContact O-CB 3.11Å; R344-F347 PolarHBondContact O-N 3.41Å; R344-F347 VanDerWaalsContact O-N 3.11Å; F347-H349 VanDerWaalsContact C-N 3.33Å; F347-H349 PolarHBondContact O-N 3.07Å; F347-L350 CarbonylContact O-C 3.2Å; F347-L350 PolarHBondContact O-N 3.41Å; F347-L350 VanDerWaalsContact O-N 3.15Å; F347-A351 HydrophobicContact CE1-CB 4.46Å; F347-A351 HydrophobicContact CZ-CB 4.38Å; F347-A351 WeakPolarHBondContact O-CB 3.33Å; F347-A351 PolarHBondContact O-N 2.85Å |
| 348 | F | 92.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.5 | -32.9 | -178.1 | -79.5 | -76.9 | 0 | 0 | 0 | 112.5 | V338 F339 R344 A345 A351 D352 L372 M386 V387 F390 L471 | V338-F348 HydrophobicContact CG1-CE2 4.31Å; V338-F348 HydrophobicContact CG1-CZ 4.05Å; V338-F348 HydrophobicContact CG2-CE2 4.29Å; V338-F348 HydrophobicContact CG2-CZ 4.49Å; F339-F348 AromaticContact CD1-CE2 3.96Å; F339-F348 HydrophobicContact CD1-CE2 3.96Å; F339-F348 AromaticContact CD1-CZ 3.9Å; F339-F348 HydrophobicContact CD1-CZ 3.9Å; F339-F348 HydrophobicContact CE1-CE1 4.39Å; F339-F348 HydrophobicContact CE1-CE2 4.02Å; F339-F348 AromaticContact CE1-CZ 3.47Å; F339-F348 HydrophobicContact CE1-CZ 3.47Å; F339-F348 VanDerWaalsContact CE1-CZ 3.47Å; R344-F348 WeakPolarHBondContact O-CD2 3.49Å; R344-F348 PolarHBondContact O-N 3.29Å; A345-F348 PolarHBondContact O-N 2.89Å; F348-A351 PolarHBondContact O-N 3.17Å; F348-D352 WeakPolarHBondContact O-CB 3.47Å; F348-D352 PolarHBondContact O-N 3.28Å; F348-L372 HydrophobicContact CE1-CD2 3.9Å; F348-L372 HydrophobicContact CZ-CD2 4.48Å; F348-M386 HydrophobicContact CB-CE 4.19Å; F348-M386 HydrophobicContact CB-SD 3.71Å; F348-M386 HydrophobicContact CD1-CE 3.81Å; F348-M386 HydrophobicContact CD1-SD 4.35Å; F348-M386 HydrophobicContact CD2-CE 3.22Å; F348-M386 HydrophobicContact CD2-SD 3.77Å; F348-M386 HydrophobicContact CE1-CE 3.97Å; F348-M386 HydrophobicContact CE2-CE 3.42Å; F348-M386 VanDerWaalsContact CE2-CE 3.42Å; F348-M386 HydrophobicContact CG-CE 3.45Å; F348-M386 VanDerWaalsContact CG-CE 3.45Å; F348-M386 HydrophobicContact CG-SD 3.67Å; F348-M386 HydrophobicContact CZ-CE 3.8Å; F348-V387 HydrophobicContact CE1-CG2 4.33Å; F348-V387 HydrophobicContact CZ-CG2 4.43Å; F348-F390 HydrophobicContact CD1-CD2 4.1Å; F348-F390 HydrophobicContact CD1-CE2 4.08Å; F348-L471 HydrophobicContact CB-CD2 3.66Å |
| 349 | H | 91.2 | Very high | 87.8 | Confident | 101 Ų | 101 | 53 Ų | 53 | 47% | 0.468 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.8 | -48.3 | 168.6 | 179.2 | 62.8 | 0 | 0 | 0 | 112 | A345 F347 L353 L471 | A345-H349 VanDerWaalsContact O-CB 3.31Å; A345-H349 WeakPolarHBondContact O-CB 3.5Å; A345-H349 PolarHBondContact O-N 3.26Å; F347-H349 VanDerWaalsContact C-N 3.33Å; F347-H349 PolarHBondContact O-N 3.07Å; H349-L353 PolarHBondContact O-N 3.41Å; H349-L353 VanDerWaalsContact O-N 3.11Å; H349-L471 HydrophobicContact CB-CD1 3.78Å |
| 350 | L | 88.7 | Confident | 87.9 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 5% | 0.047 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69 | -42.1 | 179.4 | -70.5 | 172.2 | 0 | 0 | 0 | 112 | N310 R346 F347 D352 L353 F354 | N310-L350 HydrophobicContact CB-CD1 3.62Å; N310-L350 HydrophobicContact CB-CD2 4.33Å; N310-L350 WeakPolarHBondContact OD1-CD2 3.5Å; R346-L350 HydrophobicContact CG-CD1 4.05Å; R346-L350 WeakPolarHBondContact O-CB 3.5Å; R346-L350 WeakPolarHBondContact O-CG 3.24Å; R346-L350 PolarHBondContact O-N 3.4Å; F347-L350 CarbonylContact O-C 3.2Å; F347-L350 PolarHBondContact O-N 3.41Å; F347-L350 VanDerWaalsContact O-N 3.15Å; L350-D352 VanDerWaalsContact C-N 3.3Å; L350-D352 PolarHBondContact O-N 3.25Å; L350-L353 CarbonylContact O-C 3.59Å; L350-L353 WeakPolarHBondContact O-CB 3.46Å; L350-L353 PolarHBondContact O-N 3.42Å; L350-F354 HydrophobicContact CB-CE1 4.12Å; L350-F354 HydrophobicContact CB-CE2 3.92Å; L350-F354 HydrophobicContact CB-CZ 3.72Å; L350-F354 HydrophobicContact CD1-CZ 4.49Å; L350-F354 HydrophobicContact CD2-CE1 4.07Å; L350-F354 HydrophobicContact CD2-CZ 4.05Å; L350-F354 HydrophobicContact CG-CZ 4.29Å; L350-F354 WeakPolarHBondContact O-CB 3.49Å; L350-F354 WeakPolarHBondContact O-CD1 3.46Å; L350-F354 WeakPolarHBondContact O-CD2 3.38Å; L350-F354 WeakPolarHBondContact O-CG 3.33Å; L350-F354 PolarHBondContact O-N 3.22Å |
| 351 | A | 91.7 | Very high | 88.2 | Confident | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.033 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F347 F348 F354 L355 F390 | F347-A351 HydrophobicContact CE1-CB 4.46Å; F347-A351 HydrophobicContact CZ-CB 4.38Å; F347-A351 WeakPolarHBondContact O-CB 3.33Å; F347-A351 PolarHBondContact O-N 2.85Å; F348-A351 PolarHBondContact O-N 3.17Å; A351-F354 PolarHBondContact O-N 2.76Å; A351-L355 WeakPolarHBondContact O-CB 3.34Å; A351-L355 WeakPolarHBondContact O-CG 3.23Å; A351-L355 PolarHBondContact O-N 3.2Å; A351-F390 HydrophobicContact CB-CE2 4.17Å; A351-F390 HydrophobicContact CB-CZ 3.97Å |
| 352 | D | 91.7 | Very high | 88.7 | Confident | 29 Ų | 29 | 50 Ų | 50 | 16% | 0.155 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 175 | -172.1 | 38.8 | 0 | 0 | 0 | 111.3 | F348 L350 L355 S356 F390 R397 I467 | F348-D352 WeakPolarHBondContact O-CB 3.47Å; F348-D352 PolarHBondContact O-N 3.28Å; L350-D352 VanDerWaalsContact C-N 3.3Å; L350-D352 PolarHBondContact O-N 3.25Å; D352-L355 CarbonylContact O-C 3.52Å; D352-L355 PolarHBondContact O-N 2.99Å; D352-S356 WeakPolarHBondContact O-CB 3.5Å; D352-S356 PolarHBondContact O-N 3.49Å; D352-F390 HydrophobicContact CB-CD2 4.32Å; D352-F390 HydrophobicContact CB-CE2 3.64Å; D352-F390 HydrophobicContact CB-CZ 4.1Å; D352-R397 PolarHBondContact O-NH1 2.95Å; D352-R397 IonicContact OD1-CZ 3.94Å; D352-R397 VanDerWaalsContact OD1-CZ 3.24Å; D352-R397 IonicContact OD1-NH1 3.81Å; D352-R397 PolarHBondContact OD1-NH1 3.3Å; D352-R397 IonicContact OD1-NH2 3.7Å; D352-R397 PolarHBondContact OD1-NH2 2.83Å; D352-R397 IonicContact OD2-NH2 2.74Å; D352-I467 HydrophobicContact CB-CD1 3.64Å |
| 353 | L | 89.4 | Confident | 89.2 | Confident | 76 Ų | 76 | 46.1 Ų | 46.1 | 40% | 0.398 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.6 | -44.5 | 174.3 | -177.8 | 66.4 | 0 | 0 | 0 | 111.7 | F313 H349 L350 L355 S356 | F313-L353 HydrophobicContact CD1-CD2 4.39Å; F313-L353 HydrophobicContact CE1-CD2 3.63Å; F313-L353 HydrophobicContact CE1-CG 4.13Å; F313-L353 HydrophobicContact CZ-CD2 3.95Å; F313-L353 HydrophobicContact CZ-CG 3.92Å; H349-L353 PolarHBondContact O-N 3.41Å; H349-L353 VanDerWaalsContact O-N 3.11Å; L350-L353 CarbonylContact O-C 3.59Å; L350-L353 WeakPolarHBondContact O-CB 3.46Å; L350-L353 PolarHBondContact O-N 3.42Å; L353-L355 VanDerWaalsContact C-N 3.33Å; L353-L355 PolarHBondContact O-N 2.98Å; L353-S356 WeakPolarHBondContact O-CB 3.1Å; L353-S356 PolarHBondContact O-N 2.82Å; L353-S356 PolarHBondContact O-OG 2.65Å |
| 354 | F | 88.6 | Confident | 89.7 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.1 | -34.1 | -177.2 | -59.9 | -10.9 | 0 | 0 | 0 | 111.8 | L309 F313 F326 Y327 L330 L350 A351 | L309-F354 HydrophobicContact CB-CE2 4.32Å; F313-F354 HydrophobicContact CB-CD1 4.17Å; F313-F354 HydrophobicContact CB-CE1 3.34Å; F313-F354 HydrophobicContact CB-CZ 3.53Å; F313-F354 HydrophobicContact CD1-CD1 4.1Å; F313-F354 AromaticContact CD1-CE1 3.53Å; F313-F354 HydrophobicContact CD1-CE1 3.53Å; F313-F354 HydrophobicContact CD1-CZ 4.49Å; F313-F354 AromaticContact CD2-CD1 3.03Å; F313-F354 HydrophobicContact CD2-CD1 3.03Å; F313-F354 AromaticContact CD2-CE1 3.12Å; F313-F354 HydrophobicContact CD2-CE1 3.12Å; F313-F354 AromaticContact CD2-CG 3.92Å; F313-F354 HydrophobicContact CD2-CG 3.92Å; F313-F354 HydrophobicContact CD2-CZ 4.02Å; F313-F354 HydrophobicContact CE1-CD1 4.23Å; F313-F354 HydrophobicContact CE1-CE1 4.04Å; F313-F354 AromaticContact CE2-CD1 3.17Å; F313-F354 HydrophobicContact CE2-CD1 3.17Å; F313-F354 AromaticContact CE2-CE1 3.66Å; F313-F354 HydrophobicContact CE2-CE1 3.66Å; F313-F354 HydrophobicContact CE2-CG 4.12Å; F313-F354 AromaticContact CG-CD1 3.52Å; F313-F354 HydrophobicContact CG-CD1 3.52Å; F313-F354 AromaticContact CG-CE1 3.02Å; F313-F354 HydrophobicContact CG-CE1 3.02Å; F313-F354 AromaticContact CG-CZ 3.79Å; F313-F354 HydrophobicContact CG-CZ 3.79Å; F313-F354 AromaticContact CZ-CD1 3.81Å; F313-F354 HydrophobicContact CZ-CD1 3.81Å; F313-F354 HydrophobicContact CZ-CE1 4.09Å; F326-F354 HydrophobicContact CE1-CB 4.16Å; F326-F354 AromaticContact CE1-CD2 3.87Å; F326-F354 HydrophobicContact CE1-CD2 3.87Å; F326-F354 HydrophobicContact CE1-CE2 4.43Å; F326-F354 AromaticContact CE1-CG 4Å; F326-F354 HydrophobicContact CE1-CG 4Å; F326-F354 HydrophobicContact CE2-CE2 4.4Å; F326-F354 HydrophobicContact CZ-CB 4.48Å; F326-F354 HydrophobicContact CZ-CD1 4.28Å; F326-F354 AromaticContact CZ-CD2 3.48Å; F326-F354 HydrophobicContact CZ-CD2 3.48Å; F326-F354 VanDerWaalsContact CZ-CD2 3.48Å; F326-F354 HydrophobicContact CZ-CE1 4.41Å; F326-F354 AromaticContact CZ-CE2 3.6Å; F326-F354 HydrophobicContact CZ-CE2 3.6Å; F326-F354 AromaticContact CZ-CG 3.82Å; F326-F354 HydrophobicContact CZ-CG 3.82Å; F326-F354 HydrophobicContact CZ-CZ 4.06Å; Y327-F354 PolarHBondContact OH-O 3.02Å; L330-F354 HydrophobicContact CD1-CD2 4.01Å; L330-F354 HydrophobicContact CD1-CE2 4.37Å; L330-F354 HydrophobicContact CD2-CB 4.11Å; L330-F354 HydrophobicContact CD2-CD2 3.85Å; L350-F354 HydrophobicContact CB-CE1 4.12Å; L350-F354 HydrophobicContact CB-CE2 3.92Å; L350-F354 HydrophobicContact CB-CZ 3.72Å; L350-F354 HydrophobicContact CD1-CZ 4.49Å; L350-F354 HydrophobicContact CD2-CE1 4.07Å; L350-F354 HydrophobicContact CD2-CZ 4.05Å; L350-F354 HydrophobicContact CG-CZ 4.29Å; L350-F354 WeakPolarHBondContact O-CB 3.49Å; L350-F354 WeakPolarHBondContact O-CD1 3.46Å; L350-F354 WeakPolarHBondContact O-CD2 3.38Å; L350-F354 WeakPolarHBondContact O-CG 3.33Å; L350-F354 PolarHBondContact O-N 3.22Å; A351-F354 PolarHBondContact O-N 2.76Å |
| 355 | L | 91.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 11.5 | 178.1 | -60.8 | 172.2 | 0 | 0 | 0 | 112.9 | Y327 A351 D352 L353 L360 F368 F390 L394 | Y327-L355 HydrophobicContact CD1-CD2 4.35Å; Y327-L355 HydrophobicContact CE1-CD2 4.14Å; A351-L355 WeakPolarHBondContact O-CB 3.34Å; A351-L355 WeakPolarHBondContact O-CG 3.23Å; A351-L355 PolarHBondContact O-N 3.2Å; D352-L355 CarbonylContact O-C 3.52Å; D352-L355 PolarHBondContact O-N 2.99Å; L353-L355 VanDerWaalsContact C-N 3.33Å; L353-L355 PolarHBondContact O-N 2.98Å; L355-L360 HydrophobicContact CD2-CD1 3.98Å; L355-F368 HydrophobicContact CD1-CB 3.99Å; L355-F368 HydrophobicContact CD1-CD1 3.77Å; L355-F368 HydrophobicContact CD1-CD2 4.37Å; L355-F368 HydrophobicContact CD1-CE1 4.37Å; L355-F368 HydrophobicContact CD1-CG 3.78Å; L355-F368 HydrophobicContact CD2-CD2 3.82Å; L355-F368 HydrophobicContact CD2-CE2 4.07Å; L355-F368 HydrophobicContact CD2-CG 4.08Å; L355-F390 HydrophobicContact CD1-CE1 4.03Å; L355-F390 HydrophobicContact CD1-CZ 4.14Å; L355-L394 HydrophobicContact CB-CD2 3.68Å; L355-L394 HydrophobicContact CD1-CD1 4.44Å; L355-L394 HydrophobicContact CD1-CD2 4.08Å; L355-L394 HydrophobicContact CG-CD2 4.48Å |
| 356 | S | 88.3 | Confident | 90.4 | Very high | 57 Ų | 57 | 40.7 Ų | 40.7 | 40% | 0.399 | 22% | 0.219 | S | C | . | . | trans | -80.8 | -17.4 | 177 | 69 | 0 | 0 | 0 | 0 | 113.2 | D352 L353 S358 | D352-S356 WeakPolarHBondContact O-CB 3.5Å; D352-S356 PolarHBondContact O-N 3.49Å; L353-S356 WeakPolarHBondContact O-CB 3.1Å; L353-S356 PolarHBondContact O-N 2.82Å; L353-S356 PolarHBondContact O-OG 2.65Å; S356-S358 PolarHBondContact O-N 3.44Å | ||
| 357 | S | 84.4 | Confident | 90.8 | Very high | 43 Ų | 43 | 38.2 Ų | 38.2 | 30% | 0.301 | 21% | 0.21 | S | C | . | . | trans | -68.3 | 124 | -177.7 | 177.6 | 0 | 0 | 0 | 0 | 112 | H359 L360 H398 | S357-H359 PolarHBondContact O-N 2.93Å; S357-H359 PolarHBondContact OG-N 3.33Å; S357-L360 WeakPolarHBondContact O-CG 3.3Å; S357-L360 PolarHBondContact O-N 3.48Å; S357-H398 PolarHBondContact O-CE1 2.89Å; S357-H398 VanDerWaalsContact O-CE1 3.28Å; S357-H398 PolarHBondContact O-NE2 2.94Å | ||
| 358 | S | 77.1 | Confident | 91.2 | Very high | 85 Ų | 85 | 38 Ų | 38 | 59% | 0.594 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -16.5 | 175.4 | 55.2 | 0 | 0 | 0 | 0 | 113.7 | S356 L360 | S356-S358 PolarHBondContact O-N 3.44Å; S358-L360 VanDerWaalsContact C-N 3.29Å; S358-L360 PolarHBondContact O-N 2.85Å |
| 359 | H | 83.3 | Confident | 91.4 | Very high | 168 Ų | 168 | 38 Ų | 38 | 78% | 0.778 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 2.7 | -179.1 | -65.2 | -70.7 | 0 | 0 | 0 | 113.9 | S357 | S357-H359 PolarHBondContact O-N 2.93Å; S357-H359 PolarHBondContact OG-N 3.33Å |
| 360 | L | 90.1 | Very high | 91.8 | Very high | 19 Ų | 19 | 33.1 Ų | 33.1 | 10% | 0.099 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -71.2 | 137.1 | 176.5 | -61 | 178.5 | 0 | 0 | 0 | 111.3 | Y327 L355 S357 S358 L364 V365 | Y327-L360 HydrophobicContact CE1-CD1 4.32Å; Y327-L360 HydrophobicContact CE1-CD2 4.2Å; Y327-L360 HydrophobicContact CE2-CD2 3.94Å; Y327-L360 VanDerWaalsContact OH-CD2 3.26Å; Y327-L360 WeakPolarHBondContact OH-CD2 3.47Å; L355-L360 HydrophobicContact CD2-CD1 3.98Å; S357-L360 WeakPolarHBondContact O-CG 3.3Å; S357-L360 PolarHBondContact O-N 3.48Å; S358-L360 VanDerWaalsContact C-N 3.29Å; S358-L360 PolarHBondContact O-N 2.85Å; L360-L364 HydrophobicContact CB-CD2 4.42Å; L360-L364 HydrophobicContact CD2-CD2 4.15Å; L360-V365 HydrophobicContact CB-CG2 3.93Å; L360-V365 HydrophobicContact CD1-CG2 4.44Å |
| 361 | P | 93.8 | Very high | 92.2 | Very high | 59 Ų | 59 | 33.8 Ų | 33.8 | 38% | 0.383 | 19% | 0.188 | S | C | . | . | trans | -57.8 | 141.6 | 173.9 | -24.8 | 33.9 | 0 | 0 | 0 | 112.1 | Y363 L364 V365 | P361-Y363 HydrophobicContact CB-CD1 3.44Å; P361-Y363 VanDerWaalsContact CB-CD1 3.44Å; P361-Y363 HydrophobicContact CB-CE1 3.18Å; P361-Y363 HydrophobicContact CB-CG 4.31Å; P361-Y363 HydrophobicContact CG-CD1 4.46Å; P361-Y363 HydrophobicContact CG-CE1 3.73Å; P361-Y363 PolarHBondContact O-N 2.87Å; P361-L364 HydrophobicContact CB-CB 4.49Å; P361-L364 VanDerWaalsContact O-CB 3.3Å; P361-L364 WeakPolarHBondContact O-CB 3.33Å; P361-L364 PolarHBondContact O-N 3.46Å; P361-V365 PolarHBondContact O-N 3.48Å | ||
| 362 | A | 94.5 | Very high | 92.4 | Very high | 30 Ų | 30 | 33.7 Ų | 33.7 | 25% | 0.248 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.2 | -35.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L364 V365 A366 A400 C401 L431 | A362-L364 PolarHBondContact O-N 3.37Å; A362-V365 PolarHBondContact O-N 3.29Å; A362-A366 VanDerWaalsContact O-CB 3.28Å; A362-A366 WeakPolarHBondContact O-CB 3.42Å; A362-A366 PolarHBondContact O-N 3.3Å; A362-A400 HydrophobicContact CB-CB 3.71Å; A362-C401 PolarHBondContact O-SG 3.42Å; A362-C401 VanDerWaalsContact O-SG 3.41Å; A362-L431 HydrophobicContact CB-CD1 4.36Å |
| 363 | Y | 95.3 | Very high | 92.7 | Very high | 104 Ų | 104 | 32.3 Ų | 32.3 | 41% | 0.408 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.9 | -36.8 | 178.2 | 74.7 | -102.9 | 0 | 0 | 0 | 111.9 | P361 A367 A426 L431 | P361-Y363 HydrophobicContact CB-CD1 3.44Å; P361-Y363 VanDerWaalsContact CB-CD1 3.44Å; P361-Y363 HydrophobicContact CB-CE1 3.18Å; P361-Y363 HydrophobicContact CB-CG 4.31Å; P361-Y363 HydrophobicContact CG-CD1 4.46Å; P361-Y363 HydrophobicContact CG-CE1 3.73Å; P361-Y363 PolarHBondContact O-N 2.87Å; Y363-A367 WeakPolarHBondContact O-CB 3.34Å; Y363-A367 PolarHBondContact O-N 2.97Å; Y363-A426 VanDerWaalsContact CD2-CA 3.49Å; Y363-A426 HydrophobicContact CD2-CB 3.97Å; Y363-A426 HydrophobicContact CE2-CB 3.49Å; Y363-A426 VanDerWaalsContact CE2-CB 3.49Å; Y363-L431 VanDerWaalsContact CA-CD1 3.45Å |
| 364 | L | 95.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.9 | -51.5 | -176.1 | -177.2 | 62.8 | 0 | 0 | 0 | 109.5 | Y327 L360 P361 A362 A366 A367 F368 P425 | Y327-L364 HydrophobicContact CD1-CD2 3.87Å; Y327-L364 HydrophobicContact CD2-CD2 3.89Å; Y327-L364 HydrophobicContact CE1-CD2 4.24Å; Y327-L364 HydrophobicContact CE2-CD2 4.26Å; Y327-L364 HydrophobicContact CG-CD1 4.3Å; Y327-L364 HydrophobicContact CG-CD2 3.71Å; L360-L364 HydrophobicContact CB-CD2 4.42Å; L360-L364 HydrophobicContact CD2-CD2 4.15Å; P361-L364 HydrophobicContact CB-CB 4.49Å; P361-L364 VanDerWaalsContact O-CB 3.3Å; P361-L364 WeakPolarHBondContact O-CB 3.33Å; P361-L364 PolarHBondContact O-N 3.46Å; A362-L364 PolarHBondContact O-N 3.37Å; L364-A366 VanDerWaalsContact C-N 3.3Å; L364-A366 PolarHBondContact O-N 3.09Å; L364-A367 WeakPolarHBondContact O-CB 3.46Å; L364-A367 PolarHBondContact O-N 3.21Å; L364-A367 VanDerWaalsContact O-N 3.14Å; L364-F368 HydrophobicContact CD1-CD2 4.15Å; L364-F368 HydrophobicContact CD1-CE2 3.8Å; L364-F368 HydrophobicContact CG-CD2 4.23Å; L364-F368 HydrophobicContact CG-CE2 4.19Å; L364-F368 VanDerWaalsContact O-CD2 3.3Å; L364-F368 WeakPolarHBondContact O-CD2 3.38Å; L364-F368 PolarHBondContact O-N 3.12Å; L364-P425 HydrophobicContact CD1-CB 3.64Å; L364-P425 HydrophobicContact CD1-CG 3.37Å |
| 365 | V | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 179.9 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | L360 P361 A362 A367 F368 A369 L394 H398 | L360-V365 HydrophobicContact CB-CG2 3.93Å; L360-V365 HydrophobicContact CD1-CG2 4.44Å; P361-V365 PolarHBondContact O-N 3.48Å; A362-V365 PolarHBondContact O-N 3.29Å; V365-A367 PolarHBondContact O-N 3.36Å; V365-F368 PolarHBondContact O-N 2.97Å; V365-A369 WeakPolarHBondContact O-CB 3.21Å; V365-A369 PolarHBondContact O-N 3.4Å; V365-L394 HydrophobicContact CG1-CB 3.88Å; V365-L394 HydrophobicContact CG1-CD1 4.5Å; V365-L394 HydrophobicContact CG1-CD2 4.3Å; V365-L394 HydrophobicContact CG1-CG 4.46Å; V365-H398 HydrophobicContact CB-CB 4.45Å; V365-H398 HydrophobicContact CG1-CB 4.09Å |
| 366 | A | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A362 L364 A369 K370 L404 A430 L431 | A362-A366 VanDerWaalsContact O-CB 3.28Å; A362-A366 WeakPolarHBondContact O-CB 3.42Å; A362-A366 PolarHBondContact O-N 3.3Å; L364-A366 VanDerWaalsContact C-N 3.3Å; L364-A366 PolarHBondContact O-N 3.09Å; A366-A369 PolarHBondContact O-N 3.28Å; A366-K370 VanDerWaalsContact O-CB 3.3Å; A366-K370 WeakPolarHBondContact O-CB 3.31Å; A366-K370 PolarHBondContact O-N 2.87Å; A366-L404 HydrophobicContact CB-CD1 3.94Å; A366-A430 HydrophobicContact CB-CB 4.25Å; A366-L431 HydrophobicContact CB-CD2 3.45Å; A366-L431 VanDerWaalsContact CB-CD2 3.45Å; A366-L431 HydrophobicContact CB-CG 3.6Å |
| 367 | A | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.2 | -46.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y331 Y363 L364 V365 R371 P425 S428 A430 | Y331-A367 HydrophobicContact CE2-CB 4.01Å; Y331-A367 WeakPolarHBondContact CE2-O 3.33Å; Y363-A367 WeakPolarHBondContact O-CB 3.34Å; Y363-A367 PolarHBondContact O-N 2.97Å; L364-A367 WeakPolarHBondContact O-CB 3.46Å; L364-A367 PolarHBondContact O-N 3.21Å; L364-A367 VanDerWaalsContact O-N 3.14Å; V365-A367 PolarHBondContact O-N 3.36Å; A367-R371 WeakPolarHBondContact O-CB 3.38Å; A367-R371 PolarHBondContact O-N 3.48Å; A367-P425 HydrophobicContact CB-CB 3.55Å; A367-S428 VanDerWaalsContact CB-OG 3.32Å; A367-S428 WeakPolarHBondContact CB-OG 3.39Å; A367-A430 VanDerWaalsContact CA-CB 3.42Å; A367-A430 HydrophobicContact CB-CB 4.11Å |
| 368 | F | 97.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.9 | -47.2 | 175.7 | -85.2 | -82.4 | 0 | 0 | 0 | 112.3 | Y327 L330 Y331 L334 L355 L364 V365 R371 L372 L394 | Y327-F368 HydrophobicContact CD1-CE2 4.2Å; Y327-F368 HydrophobicContact CD1-CZ 4.46Å; L330-F368 HydrophobicContact CB-CE1 4.4Å; L330-F368 HydrophobicContact CB-CZ 4.06Å; L330-F368 HydrophobicContact CD2-CE1 3.93Å; L330-F368 HydrophobicContact CD2-CZ 3.8Å; L330-F368 HydrophobicContact CG-CE1 3.8Å; L330-F368 HydrophobicContact CG-CZ 3.85Å; Y331-F368 HydrophobicContact CD2-CD1 4.21Å; Y331-F368 HydrophobicContact CD2-CD2 4.41Å; Y331-F368 HydrophobicContact CD2-CE1 4.12Å; Y331-F368 HydrophobicContact CD2-CE2 4.33Å; Y331-F368 HydrophobicContact CD2-CG 4.34Å; Y331-F368 HydrophobicContact CD2-CZ 4.19Å; Y331-F368 HydrophobicContact CG-CZ 4.4Å; L334-F368 HydrophobicContact CD1-CD1 3.48Å; L334-F368 VanDerWaalsContact CD1-CD1 3.48Å; L334-F368 HydrophobicContact CD1-CE1 3.76Å; L355-F368 HydrophobicContact CD1-CB 3.99Å; L355-F368 HydrophobicContact CD1-CD1 3.77Å; L355-F368 HydrophobicContact CD1-CD2 4.37Å; L355-F368 HydrophobicContact CD1-CE1 4.37Å; L355-F368 HydrophobicContact CD1-CG 3.78Å; L355-F368 HydrophobicContact CD2-CD2 3.82Å; L355-F368 HydrophobicContact CD2-CE2 4.07Å; L355-F368 HydrophobicContact CD2-CG 4.08Å; L364-F368 HydrophobicContact CD1-CD2 4.15Å; L364-F368 HydrophobicContact CD1-CE2 3.8Å; L364-F368 HydrophobicContact CG-CD2 4.23Å; L364-F368 HydrophobicContact CG-CE2 4.19Å; L364-F368 VanDerWaalsContact O-CD2 3.3Å; L364-F368 WeakPolarHBondContact O-CD2 3.38Å; L364-F368 PolarHBondContact O-N 3.12Å; V365-F368 PolarHBondContact O-N 2.97Å; F368-R371 PolarHBondContact O-N 3.39Å; F368-L372 WeakPolarHBondContact O-CB 3.21Å; F368-L372 VanDerWaalsContact O-CG 3.27Å; F368-L372 WeakPolarHBondContact O-CG 3.28Å; F368-L372 PolarHBondContact O-N 3.33Å; F368-L394 HydrophobicContact CB-CD1 4.35Å |
| 369 | A | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.3 | -47 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | V365 A366 L372 A373 I391 L394 | V365-A369 WeakPolarHBondContact O-CB 3.21Å; V365-A369 PolarHBondContact O-N 3.4Å; A366-A369 PolarHBondContact O-N 3.28Å; A369-L372 PolarHBondContact O-N 2.97Å; A369-A373 WeakPolarHBondContact O-CB 3.39Å; A369-A373 PolarHBondContact O-N 3.4Å; A369-I391 HydrophobicContact CB-CG2 4.33Å; A369-L394 HydrophobicContact CB-CD1 4.1Å |
| 370 | K | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.1 | -41.7 | 179.5 | -178.9 | 61.2 | 176 | -177 | 0 | 112.3 | A366 A373 R374 D416 Y418 A430 S433 S434 L435 E437 | A366-K370 VanDerWaalsContact O-CB 3.3Å; A366-K370 WeakPolarHBondContact O-CB 3.31Å; A366-K370 PolarHBondContact O-N 2.87Å; K370-A373 PolarHBondContact O-N 3.41Å; K370-R374 PolarHBondContact O-N 3.45Å; K370-D416 WeakPolarHBondContact CE-OD2 3.33Å; K370-D416 IonicContact NZ-OD2 3.33Å; K370-D416 PolarHBondContact NZ-OD2 3.35Å; K370-Y418 HydrophobicContact CB-CD2 4.38Å; K370-Y418 HydrophobicContact CB-CE2 4.21Å; K370-Y418 HydrophobicContact CD-CD1 4.43Å; K370-Y418 HydrophobicContact CD-CG 4.43Å; K370-Y418 HydrophobicContact CG-CD1 3.82Å; K370-Y418 HydrophobicContact CG-CD2 3.61Å; K370-Y418 HydrophobicContact CG-CE1 3.94Å; K370-Y418 HydrophobicContact CG-CE2 3.73Å; K370-Y418 HydrophobicContact CG-CG 3.65Å; K370-A430 HydrophobicContact CB-CB 3.96Å; K370-A430 HydrophobicContact CG-CB 4.37Å; K370-S433 WeakPolarHBondContact CE-OG 3.43Å; K370-S433 PolarHBondContact NZ-OG 2.76Å; K370-S433 VanDerWaalsContact NZ-OG 3.09Å; K370-S434 PolarHBondContact NZ-O 3.15Å; K370-L435 HydrophobicContact CB-CD2 4.44Å; K370-L435 HydrophobicContact CD-CD2 4.14Å; K370-E437 WeakPolarHBondContact CE-OE1 3.34Å; K370-E437 IonicContact NZ-OE1 3.56Å; K370-E437 PolarHBondContact NZ-OE1 3.5Å; K370-E437 IonicContact NZ-OE2 3.46Å; K370-E437 PolarHBondContact NZ-OE2 3.02Å |
| 371 | R | 97.6 | Very high | 96 | Very high | 23 Ų | 23 | 28 Ų | 28 | 9% | 0.087 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.5 | -46.3 | 174.7 | 179.4 | 165.9 | -72.2 | -171.6 | -4.7 | 111.7 | Y331 L334 A367 F368 A373 R374 L375 Y418 P420 E422 | Y331-R371 VanDerWaalsContact C-NH1 3.32Å; Y331-R371 VanDerWaalsContact CD1-CZ 3.44Å; Y331-R371 HydrophobicContact CD2-CB 4.45Å; Y331-R371 HydrophobicContact CE2-CB 3.58Å; Y331-R371 VanDerWaalsContact CE2-CD 3.41Å; Y331-R371 HydrophobicContact CE2-CG 4.1Å; Y331-R371 PolarHBondContact O-NH1 3.27Å; Y331-R371 PolarHBondContact OH-NE 3.5Å; Y331-R371 PolarHBondContact OH-NH2 3.49Å; L334-R371 HydrophobicContact CB-CG 4Å; L334-R371 HydrophobicContact CD1-CG 4.44Å; L334-R371 WeakPolarHBondContact O-CD 3.44Å; A367-R371 WeakPolarHBondContact O-CB 3.38Å; A367-R371 PolarHBondContact O-N 3.48Å; F368-R371 PolarHBondContact O-N 3.39Å; R371-A373 VanDerWaalsContact C-N 3.29Å; R371-A373 PolarHBondContact O-N 3.25Å; R371-R374 PolarHBondContact O-N 2.98Å; R371-L375 HydrophobicContact CG-CD1 4.08Å; R371-L375 HydrophobicContact CG-CG 4.44Å; R371-L375 VanDerWaalsContact O-CG 3.3Å; R371-L375 WeakPolarHBondContact O-CG 3.39Å; R371-L375 PolarHBondContact O-N 3.09Å; R371-Y418 WeakPolarHBondContact CB-OH 2.98Å; R371-P420 PolarHBondContact NH2-O 3.1Å; R371-E422 PolarHBondContact NH2-O 2.88Å |
| 372 | L | 97.1 | Very high | 96 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.5 | -41.1 | 175.4 | -74.8 | 171.1 | 0 | 0 | 0 | 111.7 | L334 F348 F368 A369 L375 A376 V387 F390 I391 L394 | L334-L372 HydrophobicContact CD1-CD2 4.1Å; L334-L372 HydrophobicContact CD1-CG 4.13Å; L334-L372 HydrophobicContact CD2-CD2 3.69Å; F348-L372 HydrophobicContact CE1-CD2 3.9Å; F348-L372 HydrophobicContact CZ-CD2 4.48Å; F368-L372 WeakPolarHBondContact O-CB 3.21Å; F368-L372 VanDerWaalsContact O-CG 3.27Å; F368-L372 WeakPolarHBondContact O-CG 3.28Å; F368-L372 PolarHBondContact O-N 3.33Å; A369-L372 PolarHBondContact O-N 2.97Å; L372-L375 PolarHBondContact O-N 3.35Å; L372-A376 WeakPolarHBondContact O-CB 3.45Å; L372-A376 PolarHBondContact O-N 2.95Å; L372-V387 HydrophobicContact CB-CG1 4.18Å; L372-F390 HydrophobicContact CD1-CD1 3.74Å; L372-F390 HydrophobicContact CD1-CE1 3.86Å; L372-I391 HydrophobicContact CB-CD1 3.92Å; L372-I391 HydrophobicContact CB-CG1 3.88Å; L372-I391 HydrophobicContact CD1-CG1 4.35Å; L372-L394 HydrophobicContact CD1-CD1 4.38Å |
| 373 | A | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.1 | -40.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A369 K370 R371 A376 I391 L435 E437 L438 | A369-A373 WeakPolarHBondContact O-CB 3.39Å; A369-A373 PolarHBondContact O-N 3.4Å; K370-A373 PolarHBondContact O-N 3.41Å; R371-A373 VanDerWaalsContact C-N 3.29Å; R371-A373 PolarHBondContact O-N 3.25Å; A373-A376 WeakPolarHBondContact O-CB 3.48Å; A373-A376 PolarHBondContact O-N 3.21Å; A373-I391 HydrophobicContact CB-CD1 4.06Å; A373-L435 HydrophobicContact CB-CD2 3.58Å; A373-E437 HydrophobicContact CB-CB 4.04Å; A373-E437 HydrophobicContact CB-CG 4.49Å; A373-E437 VanDerWaalsContact O-CB 3.3Å; A373-E437 WeakPolarHBondContact O-CB 3.22Å; A373-L438 HydrophobicContact CB-CD2 4.49Å |
| 374 | R | 96.8 | Very high | 96 | Very high | 97 Ų | 97 | 20.6 Ų | 20.6 | 37% | 0.366 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -61.2 | -47 | 172.4 | -79.6 | -72.7 | -165.9 | -173.8 | -3.1 | 112.1 | K370 R371 A376 L377 D416 Y418 E437 | K370-R374 PolarHBondContact O-N 3.45Å; R371-R374 PolarHBondContact O-N 2.98Å; R374-A376 VanDerWaalsContact C-N 3.26Å; R374-A376 PolarHBondContact O-N 3.38Å; R374-L377 WeakPolarHBondContact O-CB 3.47Å; R374-L377 PolarHBondContact O-N 3.23Å; R374-D416 IonicContact CZ-OD2 3.76Å; R374-D416 IonicContact NH2-OD2 2.74Å; R374-D416 PolarHBondContact NH2-OD2 2.99Å; R374-Y418 HydrophobicContact CG-CE1 4.07Å; R374-E437 WeakPolarHBondContact CD-OE1 3.17Å; R374-E437 HydrophobicContact CG-CG 4.46Å; R374-E437 WeakPolarHBondContact CG-OE1 3.46Å; R374-E437 IonicContact CZ-OE1 3.65Å; R374-E437 IonicContact NE-OE1 3.42Å; R374-E437 PolarHBondContact NE-OE1 3.02Å; R374-E437 IonicContact NH1-OE1 2.95Å; R374-E437 IonicContact NH2-OE1 3.54Å |
| 375 | L | 96 | Very high | 96 | Very high | 19 Ų | 19 | 21 Ų | 21 | 10% | 0.099 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.3 | -31.1 | 177.9 | -67.9 | 174.3 | 0 | 0 | 0 | 112.4 | L334 P336 F339 R371 L372 L377 T378 A379 | L334-L375 HydrophobicContact CB-CD1 3.86Å; L334-L375 WeakPolarHBondContact O-CD1 3.44Å; P336-L375 HydrophobicContact CG-CD2 3.88Å; F339-L375 HydrophobicContact CE2-CB 3.78Å; F339-L375 HydrophobicContact CZ-CB 3.97Å; R371-L375 HydrophobicContact CG-CD1 4.08Å; R371-L375 HydrophobicContact CG-CG 4.44Å; R371-L375 VanDerWaalsContact O-CG 3.3Å; R371-L375 WeakPolarHBondContact O-CG 3.39Å; R371-L375 PolarHBondContact O-N 3.09Å; L372-L375 PolarHBondContact O-N 3.35Å; L375-L377 PolarHBondContact O-N 3.28Å; L375-T378 PolarHBondContact O-N 3.36Å; L375-T378 PolarHBondContact O-OG1 3.03Å; L375-A379 PolarHBondContact O-N 3.3Å |
| 376 | A | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.3 | -30.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L372 A373 R374 T378 A379 L384 V387 L441 | L372-A376 WeakPolarHBondContact O-CB 3.45Å; L372-A376 PolarHBondContact O-N 2.95Å; A373-A376 WeakPolarHBondContact O-CB 3.48Å; A373-A376 PolarHBondContact O-N 3.21Å; R374-A376 VanDerWaalsContact C-N 3.26Å; R374-A376 PolarHBondContact O-N 3.38Å; A376-T378 PolarHBondContact O-N 3.29Å; A376-T378 VanDerWaalsContact O-N 3.1Å; A376-A379 PolarHBondContact O-N 3.43Å; A376-A379 VanDerWaalsContact O-N 3.09Å; A376-L384 HydrophobicContact CB-CD2 3.6Å; A376-L384 WeakPolarHBondContact O-CD2 3.44Å; A376-V387 HydrophobicContact CB-CG1 4.25Å; A376-L441 HydrophobicContact CB-CD1 3.76Å |
| 377 | L | 95.2 | Very high | 96 | Very high | 82 Ų | 82 | 21 Ų | 21 | 43% | 0.429 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26.3 | 179.7 | -67.8 | 179.7 | 0 | 0 | 0 | 114.2 | R374 L375 E437 A440 L441 | R374-L377 WeakPolarHBondContact O-CB 3.47Å; R374-L377 PolarHBondContact O-N 3.23Å; L375-L377 PolarHBondContact O-N 3.28Å; L377-E437 HydrophobicContact CD1-CB 4.3Å; L377-E437 HydrophobicContact CD1-CG 3.71Å; L377-E437 HydrophobicContact CD2-CB 3.92Å; L377-E437 HydrophobicContact CD2-CG 4.27Å; L377-E437 HydrophobicContact CG-CB 3.99Å; L377-E437 HydrophobicContact CG-CG 3.93Å; L377-A440 HydrophobicContact CD2-CB 4.29Å; L377-L441 HydrophobicContact CD2-CG 4.49Å |
| 378 | T | 93.8 | Very high | 95.9 | Very high | 106 Ų | 106 | 21.1 Ų | 21.1 | 65% | 0.65 | 11% | 0.11 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | 5.8 | 179.5 | 58.2 | 0 | 0 | 0 | 0 | 112.6 | L375 A376 | L375-T378 PolarHBondContact O-N 3.36Å; L375-T378 PolarHBondContact O-OG1 3.03Å; A376-T378 PolarHBondContact O-N 3.29Å; A376-T378 VanDerWaalsContact O-N 3.1Å |
| 379 | A | 94.8 | Very high | 95.7 | Very high | 11 Ų | 11 | 21.8 Ų | 21.8 | 9% | 0.091 | 12% | 0.115 | C | C | . | . | trans | -82.4 | 147.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F339 L375 A376 A383 L384 | F339-A379 HydrophobicContact CD2-CB 3.72Å; F339-A379 HydrophobicContact CE2-CB 3.6Å; F339-A379 HydrophobicContact CG-CB 4.32Å; F339-A379 HydrophobicContact CZ-CB 4.15Å; L375-A379 PolarHBondContact O-N 3.3Å; A376-A379 PolarHBondContact O-N 3.43Å; A376-A379 VanDerWaalsContact O-N 3.09Å; A379-A383 HydrophobicContact CB-CB 4.23Å; A379-L384 HydrophobicContact CB-CD2 4.04Å; A379-L384 HydrophobicContact CB-CG 4.1Å | ||
| 380 | P | 94.2 | Very high | 95.7 | Very high | 27 Ų | 27 | 21.9 Ų | 21.9 | 18% | 0.175 | 12% | 0.115 | C | C | . | . | trans | -69.8 | 159.6 | 174.1 | 31.7 | -36.9 | 0 | 0 | 0 | 111.6 | E382 A383 L384 | P380-E382 VanDerWaalsContact C-N 3.32Å; P380-E382 PolarHBondContact O-N 3Å; P380-A383 HydrophobicContact CG-CB 3.9Å; P380-A383 WeakPolarHBondContact O-CB 3.29Å; P380-A383 PolarHBondContact O-N 3.18Å; P380-L384 PolarHBondContact O-N 2.7Å | ||
| 381 | P | 94.3 | Very high | 95.6 | Very high | 19 Ų | 19 | 21.9 Ų | 21.9 | 12% | 0.123 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -55 | -41.3 | -174.9 | -26.9 | 34.9 | 0 | 0 | 0 | 114.5 | A383 L384 L385 Y445 V449 I478 | P381-A383 VanDerWaalsContact C-N 3.28Å; P381-A383 PolarHBondContact O-N 3.43Å; P381-L384 WeakPolarHBondContact O-CB 3.49Å; P381-L384 PolarHBondContact O-N 3.16Å; P381-L385 WeakPolarHBondContact O-CG 3.45Å; P381-L385 PolarHBondContact O-N 3.15Å; P381-Y445 HydrophobicContact CG-CE2 4.44Å; P381-Y445 WeakPolarHBondContact CG-OH 3.37Å; P381-V449 HydrophobicContact CB-CG2 4.21Å; P381-I478 HydrophobicContact CB-CD1 4.47Å |
| 382 | E | 94 | Very high | 95.4 | Very high | 37 Ų | 37 | 21 Ų | 21 | 17% | 0.173 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.2 | -35.1 | 178.7 | 64.3 | -83.8 | -162.6 | 0 | 0 | 112.7 | P380 L473 I478 | P380-E382 VanDerWaalsContact C-N 3.32Å; P380-E382 PolarHBondContact O-N 3Å; E382-L473 HydrophobicContact CB-CG 4.36Å; E382-I478 HydrophobicContact CB-CD1 3.61Å |
| 383 | A | 94.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -73.8 | -41 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | F339 A379 P380 P381 L385 M386 V387 | F339-A383 HydrophobicContact CB-CB 4.03Å; F339-A383 HydrophobicContact CD1-CB 3.69Å; F339-A383 HydrophobicContact CE1-CB 4.35Å; F339-A383 HydrophobicContact CG-CB 3.92Å; A379-A383 HydrophobicContact CB-CB 4.23Å; P380-A383 HydrophobicContact CG-CB 3.9Å; P380-A383 WeakPolarHBondContact O-CB 3.29Å; P380-A383 PolarHBondContact O-N 3.18Å; P381-A383 VanDerWaalsContact C-N 3.28Å; P381-A383 PolarHBondContact O-N 3.43Å; A383-L385 VanDerWaalsContact C-N 3.32Å; A383-L385 PolarHBondContact O-N 3.38Å; A383-M386 PolarHBondContact O-N 2.93Å; A383-M386 VanDerWaalsContact O-N 3.09Å; A383-V387 VanDerWaalsContact O-CG2 3.28Å; A383-V387 WeakPolarHBondContact O-CG2 3.41Å; A383-V387 PolarHBondContact O-N 3.36Å |
| 384 | L | 96.1 | Very high | 95 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.5 | -43.9 | 176.4 | -74.5 | 176.8 | 0 | 0 | 0 | 112.4 | A376 A379 P380 P381 M386 V387 L388 L441 V449 | A376-L384 HydrophobicContact CB-CD2 3.6Å; A376-L384 WeakPolarHBondContact O-CD2 3.44Å; A379-L384 HydrophobicContact CB-CD2 4.04Å; A379-L384 HydrophobicContact CB-CG 4.1Å; P380-L384 PolarHBondContact O-N 2.7Å; P381-L384 WeakPolarHBondContact O-CB 3.49Å; P381-L384 PolarHBondContact O-N 3.16Å; L384-M386 PolarHBondContact O-N 3.27Å; L384-V387 PolarHBondContact O-N 2.89Å; L384-L388 HydrophobicContact CB-CD1 4.45Å; L384-L388 WeakPolarHBondContact O-CB 3.44Å; L384-L388 WeakPolarHBondContact O-CD1 3.2Å; L384-L388 WeakPolarHBondContact O-CG 3.35Å; L384-L388 PolarHBondContact O-N 3.27Å; L384-L441 HydrophobicContact CD1-CD2 4.08Å; L384-L441 HydrophobicContact CD2-CD1 3.97Å; L384-L441 HydrophobicContact CD2-CD2 4.19Å; L384-V449 HydrophobicContact CB-CG1 4.02Å; L384-V449 HydrophobicContact CB-CG2 4.14Å; L384-V449 HydrophobicContact CD1-CG1 3.78Å; L384-V449 HydrophobicContact CG-CG1 4.47Å |
| 385 | L | 95.4 | Very high | 94.8 | Very high | 15 Ų | 15 | 16.4 Ų | 16.4 | 8% | 0.079 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60 | -27.7 | 178.1 | -70.7 | 175.9 | 0 | 0 | 0 | 112.7 | P381 A383 P389 E448 V449 L470 L473 I478 | P381-L385 WeakPolarHBondContact O-CG 3.45Å; P381-L385 PolarHBondContact O-N 3.15Å; A383-L385 VanDerWaalsContact C-N 3.32Å; A383-L385 PolarHBondContact O-N 3.38Å; L385-P389 WeakPolarHBondContact O-CD 3.32Å; L385-P389 WeakPolarHBondContact O-CG 3.34Å; L385-E448 HydrophobicContact CD2-CB 3.91Å; L385-V449 HydrophobicContact CD2-CG2 3.86Å; L385-V449 HydrophobicContact CG-CG2 4.01Å; L385-L470 WeakPolarHBondContact O-CD1 3.39Å; L385-L473 HydrophobicContact CB-CD2 4.29Å; L385-L473 HydrophobicContact CD1-CD2 3.75Å; L385-I478 HydrophobicContact CD1-CD1 3.87Å; L385-I478 HydrophobicContact CD1-CG1 4.43Å |
| 386 | M | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -87 | -42.7 | 173.8 | 171.6 | -162.2 | 69.1 | 0 | 0 | 112.6 | F348 A383 L384 P389 F390 L470 L471 | F348-M386 HydrophobicContact CB-CE 4.19Å; F348-M386 HydrophobicContact CB-SD 3.71Å; F348-M386 HydrophobicContact CD1-CE 3.81Å; F348-M386 HydrophobicContact CD1-SD 4.35Å; F348-M386 HydrophobicContact CD2-CE 3.22Å; F348-M386 HydrophobicContact CD2-SD 3.77Å; F348-M386 HydrophobicContact CE1-CE 3.97Å; F348-M386 HydrophobicContact CE2-CE 3.42Å; F348-M386 VanDerWaalsContact CE2-CE 3.42Å; F348-M386 HydrophobicContact CG-CE 3.45Å; F348-M386 VanDerWaalsContact CG-CE 3.45Å; F348-M386 HydrophobicContact CG-SD 3.67Å; F348-M386 HydrophobicContact CZ-CE 3.8Å; A383-M386 PolarHBondContact O-N 2.93Å; A383-M386 VanDerWaalsContact O-N 3.09Å; L384-M386 PolarHBondContact O-N 3.27Å; M386-P389 WeakPolarHBondContact O-CD 3.31Å; M386-P389 VanDerWaalsContact O-CG 3.31Å; M386-P389 WeakPolarHBondContact O-CG 3.49Å; M386-F390 WeakPolarHBondContact O-CB 3.42Å; M386-F390 PolarHBondContact O-N 3.29Å; M386-L470 HydrophobicContact CB-CB 4.07Å; M386-L471 HydrophobicContact CG-CD2 4.27Å; M386-L471 HydrophobicContact SD-CD2 3.77Å |
| 387 | V | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.5 | -39.2 | -174.8 | 171.6 | 0 | 0 | 0 | 0 | 112.2 | F339 F348 L372 A376 A383 L384 F390 I391 | F339-V387 HydrophobicContact CD1-CG2 4.36Å; F339-V387 HydrophobicContact CE1-CG2 3.39Å; F339-V387 HydrophobicContact CZ-CG2 3.89Å; F348-V387 HydrophobicContact CE1-CG2 4.33Å; F348-V387 HydrophobicContact CZ-CG2 4.43Å; L372-V387 HydrophobicContact CB-CG1 4.18Å; A376-V387 HydrophobicContact CB-CG1 4.25Å; A383-V387 VanDerWaalsContact O-CG2 3.28Å; A383-V387 WeakPolarHBondContact O-CG2 3.41Å; A383-V387 PolarHBondContact O-N 3.36Å; L384-V387 PolarHBondContact O-N 2.89Å; V387-F390 VanDerWaalsContact O-CB 3.31Å; V387-F390 WeakPolarHBondContact O-CB 3.4Å; V387-F390 PolarHBondContact O-N 3.16Å; V387-I391 HydrophobicContact CG1-CD1 3.66Å; V387-I391 HydrophobicContact CG1-CG1 4.17Å; V387-I391 WeakPolarHBondContact O-CG1 3.34Å; V387-I391 PolarHBondContact O-N 3.45Å |
| 388 | L | 96 | Very high | 94.1 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.4 | -52.3 | -180 | -68.5 | 169.2 | 0 | 0 | 0 | 112.8 | L384 F390 I391 C392 L438 L441 V449 A452 A453 | L384-L388 HydrophobicContact CB-CD1 4.45Å; L384-L388 WeakPolarHBondContact O-CB 3.44Å; L384-L388 WeakPolarHBondContact O-CD1 3.2Å; L384-L388 WeakPolarHBondContact O-CG 3.35Å; L384-L388 PolarHBondContact O-N 3.27Å; L388-F390 VanDerWaalsContact C-N 3.28Å; L388-F390 PolarHBondContact O-N 3.44Å; L388-I391 PolarHBondContact O-N 2.99Å; L388-C392 PolarHBondContact O-N 2.78Å; L388-C392 PolarHBondContact O-SG 3.35Å; L388-L438 HydrophobicContact CD2-CD2 3.54Å; L388-L441 HydrophobicContact CD2-CD1 4.03Å; L388-V449 HydrophobicContact CD1-CG1 4Å; L388-A452 HydrophobicContact CB-CB 4.21Å; L388-A452 HydrophobicContact CD1-CB 3.8Å; L388-A453 HydrophobicContact CD1-CB 4.06Å; L388-A453 HydrophobicContact CD2-CB 4.15Å |
| 389 | P | 94.4 | Very high | 93.9 | Very high | 16 Ų | 16 | 14.2 Ų | 14.2 | 10% | 0.104 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65 | -31.9 | 174.1 | 23.6 | -31.3 | 0 | 0 | 0 | 112.4 | L385 M386 C392 N393 V465 I467 L470 | L385-P389 WeakPolarHBondContact O-CD 3.32Å; L385-P389 WeakPolarHBondContact O-CG 3.34Å; M386-P389 WeakPolarHBondContact O-CD 3.31Å; M386-P389 VanDerWaalsContact O-CG 3.31Å; M386-P389 WeakPolarHBondContact O-CG 3.49Å; P389-C392 PolarHBondContact O-N 3.36Å; P389-N393 WeakPolarHBondContact O-CB 3.4Å; P389-N393 PolarHBondContact O-N 3.09Å; P389-N393 PolarHBondContact O-ND2 3.1Å; P389-N393 PolarHBondContact O-OD1 2.91Å; P389-V465 HydrophobicContact CB-CB 4.33Å; P389-V465 HydrophobicContact CB-CG1 4.18Å; P389-I467 HydrophobicContact CB-CG2 4.26Å; P389-I467 HydrophobicContact CG-CG2 4.21Å; P389-L470 HydrophobicContact CG-CD1 3.9Å |
| 390 | F | 95.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 0% | 0.004 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58 | -52.9 | 172.6 | -167.2 | -60.2 | 0 | 0 | 0 | 111 | F348 A351 D352 L355 L372 M386 V387 L388 C392 N393 L394 I467 | F348-F390 HydrophobicContact CD1-CD2 4.1Å; F348-F390 HydrophobicContact CD1-CE2 4.08Å; A351-F390 HydrophobicContact CB-CE2 4.17Å; A351-F390 HydrophobicContact CB-CZ 3.97Å; D352-F390 HydrophobicContact CB-CD2 4.32Å; D352-F390 HydrophobicContact CB-CE2 3.64Å; D352-F390 HydrophobicContact CB-CZ 4.1Å; L355-F390 HydrophobicContact CD1-CE1 4.03Å; L355-F390 HydrophobicContact CD1-CZ 4.14Å; L372-F390 HydrophobicContact CD1-CD1 3.74Å; L372-F390 HydrophobicContact CD1-CE1 3.86Å; M386-F390 WeakPolarHBondContact O-CB 3.42Å; M386-F390 PolarHBondContact O-N 3.29Å; V387-F390 VanDerWaalsContact O-CB 3.31Å; V387-F390 WeakPolarHBondContact O-CB 3.4Å; V387-F390 PolarHBondContact O-N 3.16Å; L388-F390 VanDerWaalsContact C-N 3.28Å; L388-F390 PolarHBondContact O-N 3.44Å; F390-C392 VanDerWaalsContact C-N 3.3Å; F390-C392 PolarHBondContact O-N 3.26Å; F390-N393 PolarHBondContact O-N 3.12Å; F390-N393 VanDerWaalsContact O-N 3.13Å; F390-L394 HydrophobicContact CD1-CD1 3.99Å; F390-L394 HydrophobicContact CD1-CD2 4.43Å; F390-L394 HydrophobicContact CD1-CG 3.92Å; F390-L394 HydrophobicContact CE1-CD1 3.82Å; F390-L394 HydrophobicContact CE1-CD2 3.92Å; F390-L394 HydrophobicContact CE1-CG 3.84Å; F390-L394 PolarHBondContact O-N 2.91Å; F390-I467 HydrophobicContact CB-CG2 4.46Å; F390-I467 HydrophobicContact CD2-CD1 3.61Å; F390-I467 HydrophobicContact CE2-CD1 4.08Å |
| 391 | I | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 178.1 | -65.9 | 165.3 | 0 | 0 | 0 | 110.1 | A369 L372 A373 V387 L388 N393 L394 L395 L438 | A369-I391 HydrophobicContact CB-CG2 4.33Å; L372-I391 HydrophobicContact CB-CD1 3.92Å; L372-I391 HydrophobicContact CB-CG1 3.88Å; L372-I391 HydrophobicContact CD1-CG1 4.35Å; A373-I391 HydrophobicContact CB-CD1 4.06Å; V387-I391 HydrophobicContact CG1-CD1 3.66Å; V387-I391 HydrophobicContact CG1-CG1 4.17Å; V387-I391 WeakPolarHBondContact O-CG1 3.34Å; V387-I391 PolarHBondContact O-N 3.45Å; L388-I391 PolarHBondContact O-N 2.99Å; I391-N393 VanDerWaalsContact C-N 3.31Å; I391-N393 PolarHBondContact O-N 3.14Å; I391-L394 WeakPolarHBondContact O-CB 3.2Å; I391-L394 PolarHBondContact O-N 3.08Å; I391-L395 HydrophobicContact CG2-CD1 4.26Å; I391-L395 WeakPolarHBondContact O-CG 3.26Å; I391-L395 PolarHBondContact O-N 3.12Å; I391-L395 VanDerWaalsContact O-N 3.12Å; I391-L438 HydrophobicContact CD1-CD2 4.09Å; I391-L438 HydrophobicContact CG2-CD1 4.1Å |
| 392 | C | 93.9 | Very high | 93.5 | Very high | 6 Ų | 6 | 20.1 Ų | 20.1 | 4% | 0.041 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.6 | -40.1 | 177.1 | -64.6 | 0 | 0 | 0 | 0 | 112.1 | L388 P389 F390 L395 R396 L460 | L388-C392 PolarHBondContact O-N 2.78Å; L388-C392 PolarHBondContact O-SG 3.35Å; P389-C392 PolarHBondContact O-N 3.36Å; F390-C392 VanDerWaalsContact C-N 3.3Å; F390-C392 PolarHBondContact O-N 3.26Å; C392-L395 PolarHBondContact O-N 2.8Å; C392-R396 VanDerWaalsContact CB-NH1 3.34Å; C392-R396 WeakPolarHBondContact O-CG 3.25Å; C392-R396 PolarHBondContact O-N 2.91Å; C392-L460 HydrophobicContact CB-CD2 4.42Å |
| 393 | N | 93.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.4 | -40.5 | 176.9 | -71 | -12.6 | 0 | 0 | 0 | 111.8 | P389 F390 I391 L395 R396 R397 V465 | P389-N393 WeakPolarHBondContact O-CB 3.4Å; P389-N393 PolarHBondContact O-N 3.09Å; P389-N393 PolarHBondContact O-ND2 3.1Å; P389-N393 PolarHBondContact O-OD1 2.91Å; F390-N393 PolarHBondContact O-N 3.12Å; F390-N393 VanDerWaalsContact O-N 3.13Å; I391-N393 VanDerWaalsContact C-N 3.31Å; I391-N393 PolarHBondContact O-N 3.14Å; N393-L395 VanDerWaalsContact C-N 3.29Å; N393-L395 PolarHBondContact O-N 3.02Å; N393-R396 WeakPolarHBondContact O-CB 2.91Å; N393-R396 PolarHBondContact O-N 2.81Å; N393-R396 VanDerWaalsContact O-N 3.16Å; N393-R396 PolarHBondContact OD1-NH1 3.36Å; N393-R397 VanDerWaalsContact O-CG 3.31Å; N393-R397 WeakPolarHBondContact O-CG 3.23Å; N393-R397 PolarHBondContact O-N 3.12Å; N393-V465 PolarHBondContact ND2-O 3.49Å; N393-V465 PolarHBondContact OD1-N 3.04Å |
| 394 | L | 93.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57 | -44.3 | 172.9 | -66.8 | -177 | 0 | 0 | 0 | 111.8 | L355 V365 F368 A369 L372 F390 I391 R397 H398 | L355-L394 HydrophobicContact CB-CD2 3.68Å; L355-L394 HydrophobicContact CD1-CD1 4.44Å; L355-L394 HydrophobicContact CD1-CD2 4.08Å; L355-L394 HydrophobicContact CG-CD2 4.48Å; V365-L394 HydrophobicContact CG1-CB 3.88Å; V365-L394 HydrophobicContact CG1-CD1 4.5Å; V365-L394 HydrophobicContact CG1-CD2 4.3Å; V365-L394 HydrophobicContact CG1-CG 4.46Å; F368-L394 HydrophobicContact CB-CD1 4.35Å; A369-L394 HydrophobicContact CB-CD1 4.1Å; L372-L394 HydrophobicContact CD1-CD1 4.38Å; F390-L394 HydrophobicContact CD1-CD1 3.99Å; F390-L394 HydrophobicContact CD1-CD2 4.43Å; F390-L394 HydrophobicContact CD1-CG 3.92Å; F390-L394 HydrophobicContact CE1-CD1 3.82Å; F390-L394 HydrophobicContact CE1-CD2 3.92Å; F390-L394 HydrophobicContact CE1-CG 3.84Å; F390-L394 PolarHBondContact O-N 2.91Å; I391-L394 WeakPolarHBondContact O-CB 3.2Å; I391-L394 PolarHBondContact O-N 3.08Å; L394-R397 PolarHBondContact O-N 2.86Å; L394-H398 PolarHBondContact O-N 2.92Å |
| 395 | L | 92.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.5 | -29.5 | 178.5 | -61.1 | 176.4 | 0 | 0 | 0 | 113 | I391 C392 N393 C401 L404 V405 L435 I456 L460 | I391-L395 HydrophobicContact CG2-CD1 4.26Å; I391-L395 WeakPolarHBondContact O-CG 3.26Å; I391-L395 PolarHBondContact O-N 3.12Å; I391-L395 VanDerWaalsContact O-N 3.12Å; C392-L395 PolarHBondContact O-N 2.8Å; N393-L395 VanDerWaalsContact C-N 3.29Å; N393-L395 PolarHBondContact O-N 3.02Å; L395-C401 HydrophobicContact CD2-CB 3.53Å; L395-L404 HydrophobicContact CD2-CD1 4.32Å; L395-V405 HydrophobicContact CD1-CG2 3.87Å; L395-L435 HydrophobicContact CD1-CD1 3.94Å; L395-I456 HydrophobicContact CD1-CD1 3.64Å; L395-L460 HydrophobicContact CB-CD1 3.95Å |
| 396 | R | 90.3 | Very high | 93 | Very high | 33 Ų | 33 | 29.6 Ų | 29.6 | 13% | 0.125 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.5 | -48.4 | 171.2 | -75.6 | 178.4 | -173.3 | 100.7 | 6.9 | 111.1 | C392 N393 H398 L460 S461 | C392-R396 VanDerWaalsContact CB-NH1 3.34Å; C392-R396 WeakPolarHBondContact O-CG 3.25Å; C392-R396 PolarHBondContact O-N 2.91Å; N393-R396 WeakPolarHBondContact O-CB 2.91Å; N393-R396 PolarHBondContact O-N 2.81Å; N393-R396 VanDerWaalsContact O-N 3.16Å; N393-R396 PolarHBondContact OD1-NH1 3.36Å; R396-H398 VanDerWaalsContact C-N 3.34Å; R396-H398 PolarHBondContact O-N 2.88Å; R396-L460 HydrophobicContact CG-CB 3.97Å; R396-L460 HydrophobicContact CG-CD1 4.34Å; R396-S461 WeakPolarHBondContact CD-O 3.46Å; R396-S461 PolarHBondContact NE-O 3.09Å |
| 397 | R | 90.4 | Very high | 92.7 | Very high | 40 Ų | 40 | 33 Ų | 33 | 15% | 0.151 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.1 | -34.1 | -179 | -68.6 | 173.5 | -167 | 155.9 | 6.5 | 112.8 | D352 N393 L394 P399 E464 | D352-R397 PolarHBondContact O-NH1 2.95Å; D352-R397 IonicContact OD1-CZ 3.94Å; D352-R397 VanDerWaalsContact OD1-CZ 3.24Å; D352-R397 IonicContact OD1-NH1 3.81Å; D352-R397 PolarHBondContact OD1-NH1 3.3Å; D352-R397 IonicContact OD1-NH2 3.7Å; D352-R397 PolarHBondContact OD1-NH2 2.83Å; D352-R397 IonicContact OD2-NH2 2.74Å; N393-R397 VanDerWaalsContact O-CG 3.31Å; N393-R397 WeakPolarHBondContact O-CG 3.23Å; N393-R397 PolarHBondContact O-N 3.12Å; L394-R397 PolarHBondContact O-N 2.86Å; R397-P399 WeakPolarHBondContact O-CD 3.31Å; R397-E464 WeakPolarHBondContact CG-OE1 3.31Å; R397-E464 IonicContact CZ-OE1 2.88Å; R397-E464 IonicContact CZ-OE2 3.86Å; R397-E464 IonicContact NE-OE1 2.65Å; R397-E464 PolarHBondContact NE-OE1 2.73Å; R397-E464 IonicContact NE-OE2 2.84Å; R397-E464 PolarHBondContact NE-OE2 3.23Å; R397-E464 IonicContact NH2-OE1 2.63Å; R397-E464 IonicContact NH2-OE2 3.78Å; R397-E464 PolarHBondContact NH2-OE2 3.46Å |
| 398 | H | 92.1 | Very high | 92.1 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 6% | 0.06 | 20% | 0.196 | C | C | . | . | trans | -123.3 | 86.1 | -176.9 | -61.4 | -90.8 | 0 | 0 | 0 | 111.9 | S357 V365 L394 R396 A400 C401 | S357-H398 PolarHBondContact O-CE1 2.89Å; S357-H398 VanDerWaalsContact O-CE1 3.28Å; S357-H398 PolarHBondContact O-NE2 2.94Å; V365-H398 HydrophobicContact CB-CB 4.45Å; V365-H398 HydrophobicContact CG1-CB 4.09Å; L394-H398 PolarHBondContact O-N 2.92Å; R396-H398 VanDerWaalsContact C-N 3.34Å; R396-H398 PolarHBondContact O-N 2.88Å; H398-A400 PolarHBondContact O-N 3.37Å; H398-C401 WeakPolarHBondContact O-CB 3.05Å; H398-C401 PolarHBondContact O-N 3.34Å | ||
| 399 | P | 89.4 | Confident | 91.6 | Very high | 75 Ų | 75 | 46 Ų | 46 | 49% | 0.487 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -56.5 | -27.5 | -178.5 | -27.4 | 35.1 | 0 | 0 | 0 | 114.7 | R397 C401 R402 | R397-P399 WeakPolarHBondContact O-CD 3.31Å; P399-C401 PolarHBondContact O-N 2.94Å; P399-R402 VanDerWaalsContact O-CB 3.26Å; P399-R402 WeakPolarHBondContact O-CB 3.48Å; P399-R402 VanDerWaalsContact O-CG 3.23Å; P399-R402 WeakPolarHBondContact O-CG 3.19Å; P399-R402 PolarHBondContact O-N 3.45Å |
| 400 | A | 92 | Very high | 90.8 | Very high | 59 Ų | 59 | 46.7 Ų | 46.7 | 49% | 0.488 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -59.4 | -25.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | A362 H398 R402 V403 | A362-A400 HydrophobicContact CB-CB 3.71Å; H398-A400 PolarHBondContact O-N 3.37Å; A400-R402 VanDerWaalsContact C-N 3.29Å; A400-R402 PolarHBondContact O-N 2.79Å; A400-V403 WeakPolarHBondContact O-CG2 3.46Å |
| 401 | C | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -80.6 | -5.2 | 177.2 | -60.3 | 0 | 0 | 0 | 0 | 113.3 | A362 L395 H398 P399 V403 L404 | A362-C401 PolarHBondContact O-SG 3.42Å; A362-C401 VanDerWaalsContact O-SG 3.41Å; L395-C401 HydrophobicContact CD2-CB 3.53Å; H398-C401 WeakPolarHBondContact O-CB 3.05Å; H398-C401 PolarHBondContact O-N 3.34Å; P399-C401 PolarHBondContact O-N 2.94Å; C401-V403 PolarHBondContact O-N 3.47Å; C401-V403 VanDerWaalsContact O-N 3.15Å; C401-L404 HydrophobicContact CB-CD1 4.33Å; C401-L404 VanDerWaalsContact O-CB 3.26Å; C401-L404 WeakPolarHBondContact O-CB 3.3Å; C401-L404 VanDerWaalsContact O-CG 3.24Å; C401-L404 WeakPolarHBondContact O-CG 3.36Å; C401-L404 PolarHBondContact O-N 3.35Å |
| 402 | R | 90.6 | Very high | 89.5 | Confident | 123 Ų | 123 | 60.1 Ų | 60.1 | 46% | 0.464 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -62.8 | -20.2 | 177.4 | -68.1 | 174.8 | -177.2 | -172.2 | 0.2 | 113 | P399 A400 L404 V405 H406 | P399-R402 VanDerWaalsContact O-CB 3.26Å; P399-R402 WeakPolarHBondContact O-CB 3.48Å; P399-R402 VanDerWaalsContact O-CG 3.23Å; P399-R402 WeakPolarHBondContact O-CG 3.19Å; P399-R402 PolarHBondContact O-N 3.45Å; A400-R402 VanDerWaalsContact C-N 3.29Å; A400-R402 PolarHBondContact O-N 2.79Å; R402-L404 PolarHBondContact O-N 3.16Å; R402-L404 VanDerWaalsContact O-N 3.11Å; R402-V405 PolarHBondContact O-N 3.32Å; R402-H406 PolarHBondContact O-N 2.94Å; R402-H406 VanDerWaalsContact O-N 3.08Å |
| 403 | V | 92.4 | Very high | 89.1 | Confident | 60 Ų | 60 | 63 Ų | 63 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -58.6 | -19.3 | 172.3 | -57.5 | 0 | 0 | 0 | 0 | 113.4 | A400 C401 V405 L431 | A400-V403 WeakPolarHBondContact O-CG2 3.46Å; C401-V403 PolarHBondContact O-N 3.47Å; C401-V403 VanDerWaalsContact O-N 3.15Å; V403-V405 VanDerWaalsContact C-N 3.31Å; V403-L431 HydrophobicContact CG2-CD2 4.19Å |
| 404 | L | 93.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -74.4 | -22.2 | 174.7 | -61.2 | 179.4 | 0 | 0 | 0 | 113.1 | A366 L395 C401 R402 A430 S433 S434 L435 | A366-L404 HydrophobicContact CB-CD1 3.94Å; L395-L404 HydrophobicContact CD2-CD1 4.32Å; C401-L404 HydrophobicContact CB-CD1 4.33Å; C401-L404 VanDerWaalsContact O-CB 3.26Å; C401-L404 WeakPolarHBondContact O-CB 3.3Å; C401-L404 VanDerWaalsContact O-CG 3.24Å; C401-L404 WeakPolarHBondContact O-CG 3.36Å; C401-L404 PolarHBondContact O-N 3.35Å; R402-L404 PolarHBondContact O-N 3.16Å; R402-L404 VanDerWaalsContact O-N 3.11Å; L404-A430 WeakPolarHBondContact CD2-O 3.31Å; L404-S433 WeakPolarHBondContact CD2-O 3.31Å; L404-S434 CarbonylContact O-C 3.52Å; L404-S434 VanDerWaalsContact O-CA 3.27Å; L404-S434 WeakPolarHBondContact O-CA 3.44Å; L404-S434 WeakPolarHBondContact O-CB 3.2Å; L404-L435 HydrophobicContact CB-CD1 3.72Å; L404-L435 HydrophobicContact CB-CG 3.86Å; L404-L435 HydrophobicContact CD1-CD1 4.13Å; L404-L435 HydrophobicContact CD1-CG 4.37Å; L404-L435 PolarHBondContact O-N 3.13Å |
| 405 | V | 92.6 | Very high | 88.7 | Confident | 63 Ų | 63 | 75 Ų | 75 | 38% | 0.382 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -45.1 | -179.2 | -179.5 | 0 | 0 | 0 | 0 | 110.3 | L395 R402 V403 L435 I456 | L395-V405 HydrophobicContact CD1-CG2 3.87Å; R402-V405 PolarHBondContact O-N 3.32Å; V403-V405 VanDerWaalsContact C-N 3.31Å; V405-L435 HydrophobicContact CG2-CD1 4.24Å; V405-I456 HydrophobicContact CB-CG1 4.5Å; V405-I456 HydrophobicContact CG1-CG1 3.88Å; V405-I456 HydrophobicContact CG2-CD1 3.77Å; V405-I456 HydrophobicContact CG2-CG1 3.74Å |
| 406 | H | 90.3 | Very high | 88.7 | Confident | 129 Ų | 129 | 77 Ų | 77 | 60% | 0.597 | 42% | 0.417 | S | S | * | . | trans | -138.6 | 120.4 | -175.5 | -174.3 | 63.2 | 0 | 0 | 0 | 110.9 | R402 | R402-H406 PolarHBondContact O-N 2.94Å; R402-H406 VanDerWaalsContact O-N 3.08Å | ||
| 407 | R | 88.8 | Confident | 88.9 | Confident | 71 Ų | 71 | 76.5 Ų | 76.5 | 27% | 0.268 | 42% | 0.418 | S | S | . | . | trans | -131.7 | 81.7 | -179.2 | -165.5 | -174.3 | -70 | 178.5 | -0.4 | 110.6 | H409 G410 L431 E432 S433 | R407-H409 VanDerWaalsContact C-N 3.35Å; R407-H409 PolarHBondContact O-N 3.46Å; R407-G410 VanDerWaalsContact CD-CA 3.42Å; R407-G410 PolarHBondContact O-N 3.41Å; R407-L431 PolarHBondContact NH2-O 2.9Å; R407-E432 PolarHBondContact NH1-O 3.41Å; R407-E432 VanDerWaalsContact NH2-C 3.27Å; R407-E432 PolarHBondContact NH2-O 3.13Å; R407-S433 PolarHBondContact NH2-O 2.97Å | ||
| 408 | P | 84.7 | Confident | 89.2 | Confident | 87 Ų | 87 | 75.1 Ų | 75.1 | 57% | 0.565 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -28 | -170.9 | 24.7 | -32.1 | 0 | 0 | 0 | 114.1 | ||
| 409 | H | 84.1 | Confident | 89.4 | Confident | 189 Ų | 189 | 78.1 Ų | 78.1 | 88% | 0.875 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | 28.2 | 179.6 | -53 | 98.4 | 0 | 0 | 0 | 111.6 | R407 | R407-H409 VanDerWaalsContact C-N 3.35Å; R407-H409 PolarHBondContact O-N 3.46Å |
| 410 | G | 77.9 | Confident | 89.5 | Confident | 29 Ų | 29 | 78.5 Ų | 78.5 | 30% | 0.299 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 155.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R407 | R407-G410 VanDerWaalsContact CD-CA 3.42Å; R407-G410 PolarHBondContact O-N 3.41Å |
| 411 | P | 81.9 | Confident | 89.6 | Confident | 94 Ų | 94 | 78.5 Ų | 78.5 | 61% | 0.61 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 145 | 164.5 | 29.4 | -33.8 | 0 | 0 | 0 | 109.5 | L413 | P411-L413 HydrophobicContact CG-CD2 4.29Å; P411-L413 PolarHBondContact O-N 3.17Å |
| 412 | E | 82.5 | Confident | 89.7 | Confident | 190 Ų | 190 | 81 Ų | 81 | 89% | 0.888 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 133.1 | 163.1 | -69.4 | -176.1 | 168.2 | 0 | 0 | 108.4 | ||
| 413 | L | 85.6 | Confident | 89.7 | Confident | 67 Ų | 67 | 82.1 Ų | 82.1 | 35% | 0.351 | 46% | 0.458 | S | S | . | . | trans | -105.9 | 116.4 | -176.4 | -63.5 | 176.6 | 0 | 0 | 0 | 109 | P411 A415 W436 | P411-L413 HydrophobicContact CG-CD2 4.29Å; P411-L413 PolarHBondContact O-N 3.17Å; L413-A415 VanDerWaalsContact C-N 3.27Å; L413-W436 HydrophobicContact CD1-CH2 4.13Å | ||
| 414 | D | 85.7 | Confident | 89.8 | Confident | 177 Ų | 177 | 81.5 Ų | 81.5 | 95% | 0.947 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -69.1 | -28.7 | 173.1 | -64.7 | -37.9 | 0 | 0 | 0 | 112.1 | ||
| 415 | A | 90.9 | Very high | 89.8 | Confident | 74 Ų | 74 | 81.7 Ų | 81.7 | 61% | 0.612 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -147.8 | 156.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | L413 P417 | L413-A415 VanDerWaalsContact C-N 3.27Å; A415-P417 VanDerWaalsContact O-CD 3.3Å; A415-P417 WeakPolarHBondContact O-CD 3.27Å |
| 416 | D | 93.6 | Very high | 89.9 | Confident | 42 Ų | 42 | 80.6 Ų | 80.6 | 23% | 0.225 | 45% | 0.451 | C | S | . | . | trans | -67.4 | 116.3 | 173.3 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | K370 R374 Y418 S433 W436 | K370-D416 WeakPolarHBondContact CE-OD2 3.33Å; K370-D416 IonicContact NZ-OD2 3.33Å; K370-D416 PolarHBondContact NZ-OD2 3.35Å; R374-D416 IonicContact CZ-OD2 3.76Å; R374-D416 IonicContact NH2-OD2 2.74Å; R374-D416 PolarHBondContact NH2-OD2 2.99Å; D416-Y418 PolarHBondContact O-N 3.49Å; D416-Y418 WeakPolarHBondContact OD1-CB 3.08Å; D416-Y418 PolarHBondContact OD1-N 3.07Å; D416-Y418 VanDerWaalsContact OD1-N 3.09Å; D416-S433 WeakPolarHBondContact OD1-CB 3.33Å; D416-S433 PolarHBondContact OD1-OG 3.11Å; D416-W436 HydrophobicContact CB-CH2 4.48Å; D416-W436 HydrophobicContact CB-CZ3 3.92Å | ||
| 417 | P | 94.1 | Very high | 90.1 | Very high | 23 Ų | 23 | 80.1 Ų | 80.1 | 15% | 0.149 | 45% | 0.449 | C | S | . | . | trans | -74.5 | -10.7 | -179 | 31 | -36 | 0 | 0 | 0 | 113.5 | A415 E432 | A415-P417 VanDerWaalsContact O-CD 3.3Å; A415-P417 WeakPolarHBondContact O-CD 3.27Å; P417-E432 HydrophobicContact CB-CB 4.22Å; P417-E432 HydrophobicContact CG-CB 3.69Å | ||
| 418 | Y | 96.4 | Very high | 90.5 | Very high | 11 Ų | 11 | 76.8 Ų | 76.8 | 4% | 0.043 | 44% | 0.437 | C | S | . | . | trans | -69.4 | 127.5 | -179.9 | 171.5 | -103.4 | 0 | 0 | 0 | 111.8 | Y331 K370 R371 R374 D416 P420 S428 A430 | Y331-Y418 PolarHBondContact OH-OH 3.47Å; K370-Y418 HydrophobicContact CB-CD2 4.38Å; K370-Y418 HydrophobicContact CB-CE2 4.21Å; K370-Y418 HydrophobicContact CD-CD1 4.43Å; K370-Y418 HydrophobicContact CD-CG 4.43Å; K370-Y418 HydrophobicContact CG-CD1 3.82Å; K370-Y418 HydrophobicContact CG-CD2 3.61Å; K370-Y418 HydrophobicContact CG-CE1 3.94Å; K370-Y418 HydrophobicContact CG-CE2 3.73Å; K370-Y418 HydrophobicContact CG-CG 3.65Å; R371-Y418 WeakPolarHBondContact CB-OH 2.98Å; R374-Y418 HydrophobicContact CG-CE1 4.07Å; D416-Y418 PolarHBondContact O-N 3.49Å; D416-Y418 WeakPolarHBondContact OD1-CB 3.08Å; D416-Y418 PolarHBondContact OD1-N 3.07Å; D416-Y418 VanDerWaalsContact OD1-N 3.09Å; Y418-P420 HydrophobicContact CE1-CB 3.94Å; Y418-P420 WeakPolarHBondContact O-CD 3.42Å; Y418-S428 WeakPolarHBondContact CA-O 3.42Å; Y418-S428 WeakPolarHBondContact CD2-O 3.32Å; Y418-A430 HydrophobicContact CD2-CB 3.76Å; Y418-A430 HydrophobicContact CE2-CB 4.04Å | ||
| 419 | D | 95.9 | Very high | 91 | Very high | 76 Ų | 76 | 78.8 Ų | 78.8 | 41% | 0.406 | 43% | 0.433 | S | S | . | . | trans | -92.7 | 109.4 | 173.4 | -174.7 | -5.5 | 0 | 0 | 0 | 110.8 | G421 E422 S428 | D419-G421 VanDerWaalsContact C-N 3.28Å; D419-G421 PolarHBondContact O-N 3.38Å; D419-G421 PolarHBondContact OD1-N 2.96Å; D419-E422 HydrophobicContact CB-CB 4.07Å; D419-S428 PolarHBondContact N-O 2.86Å; D419-S428 VanDerWaalsContact N-O 3.12Å | ||
| 420 | P | 92.4 | Very high | 91.6 | Very high | 83 Ų | 83 | 69.9 Ų | 69.9 | 54% | 0.539 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -23.9 | 177.8 | 29.3 | -34.9 | 0 | 0 | 0 | 113.7 | R371 Y418 | R371-P420 PolarHBondContact NH2-O 3.1Å; Y418-P420 HydrophobicContact CE1-CB 3.94Å; Y418-P420 WeakPolarHBondContact O-CD 3.42Å |
| 421 | G | 93.2 | Very high | 92.4 | Very high | 59 Ų | 59 | 71.2 Ų | 71.2 | 61% | 0.608 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -15.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D419 | D419-G421 VanDerWaalsContact C-N 3.28Å; D419-G421 PolarHBondContact O-N 3.38Å; D419-G421 PolarHBondContact OD1-N 2.96Å |
| 422 | E | 95.3 | Very high | 92.9 | Very high | 54 Ų | 54 | 71 Ų | 71 | 25% | 0.252 | 38% | 0.383 | S | S | . | . | trans | -66.3 | 134.2 | -178.2 | -178.8 | 51.4 | -103.7 | 0 | 0 | 111.6 | Y331 R371 D419 D424 Q427 | Y331-E422 WeakPolarHBondContact CE1-O 3.3Å; R371-E422 PolarHBondContact NH2-O 2.88Å; D419-E422 HydrophobicContact CB-CB 4.07Å; E422-D424 VanDerWaalsContact CG-O 3.32Å; E422-D424 WeakPolarHBondContact CG-O 3.37Å; E422-D424 PolarHBondContact OE1-N 3.23Å; E422-Q427 HydrophobicContact CG-CB 3.8Å | ||
| 423 | K | 91.1 | Very high | 93.5 | Very high | 146 Ų | 146 | 61.9 Ų | 61.9 | 64% | 0.635 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -92 | -25.1 | -179.5 | -67.2 | -179.9 | -178.9 | 175.1 | 0 | 112.6 | R328 Y331 | R328-K423 WeakPolarHBondContact CG-O 3.37Å; Y331-K423 WeakPolarHBondContact CD1-O 3.35Å |
| 424 | D | 94.3 | Very high | 93.9 | Very high | 47 Ų | 47 | 59.9 Ų | 59.9 | 25% | 0.251 | 33% | 0.332 | S | S | . | . | trans | -89.3 | 114.5 | 175.3 | -172.7 | -11.5 | 0 | 0 | 0 | 110.6 | E422 A426 Q427 S428 | E422-D424 VanDerWaalsContact CG-O 3.32Å; E422-D424 WeakPolarHBondContact CG-O 3.37Å; E422-D424 PolarHBondContact OE1-N 3.23Å; D424-A426 PolarHBondContact O-N 2.86Å; D424-A426 VanDerWaalsContact O-N 3.1Å; D424-A426 VanDerWaalsContact OD1-CB 3.31Å; D424-A426 WeakPolarHBondContact OD1-CB 3.36Å; D424-A426 PolarHBondContact OD1-N 3.24Å; D424-Q427 HydrophobicContact CB-CB 4.33Å; D424-Q427 HydrophobicContact CB-CG 4.19Å; D424-Q427 PolarHBondContact O-N 3.11Å; D424-S428 PolarHBondContact O-N 3.21Å | ||
| 425 | P | 95.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.032 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -27.8 | 178.1 | 24.2 | -33.8 | 0 | 0 | 0 | 113 | Y331 L364 A367 Q427 S428 | Y331-P425 HydrophobicContact CD1-CB 3.99Å; Y331-P425 HydrophobicContact CD1-CG 4.32Å; Y331-P425 HydrophobicContact CD2-CB 4.33Å; Y331-P425 HydrophobicContact CE1-CB 4.16Å; Y331-P425 HydrophobicContact CG-CB 4.08Å; Y331-P425 HydrophobicContact CG-CG 4.38Å; L364-P425 HydrophobicContact CD1-CB 3.64Å; L364-P425 HydrophobicContact CD1-CG 3.37Å; A367-P425 HydrophobicContact CB-CB 3.55Å; P425-Q427 VanDerWaalsContact C-N 3.3Å; P425-Q427 PolarHBondContact O-N 3.23Å; P425-S428 PolarHBondContact O-N 3.29Å; P425-S428 PolarHBondContact O-OG 3.24Å |
| 426 | A | 93.5 | Very high | 94.6 | Very high | 39 Ų | 39 | 53.8 Ų | 53.8 | 32% | 0.322 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -30.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y363 D424 | Y363-A426 VanDerWaalsContact CD2-CA 3.49Å; Y363-A426 HydrophobicContact CD2-CB 3.97Å; Y363-A426 HydrophobicContact CE2-CB 3.49Å; Y363-A426 VanDerWaalsContact CE2-CB 3.49Å; D424-A426 PolarHBondContact O-N 2.86Å; D424-A426 VanDerWaalsContact O-N 3.1Å; D424-A426 VanDerWaalsContact OD1-CB 3.31Å; D424-A426 WeakPolarHBondContact OD1-CB 3.36Å; D424-A426 PolarHBondContact OD1-N 3.24Å |
| 427 | Q | 95.4 | Very high | 94.8 | Very high | 120 Ų | 120 | 52.1 Ų | 52.1 | 56% | 0.561 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -4.3 | -178 | -58.3 | -55.2 | -44.1 | 0 | 0 | 113.1 | E422 D424 P425 R429 | E422-Q427 HydrophobicContact CG-CB 3.8Å; D424-Q427 HydrophobicContact CB-CB 4.33Å; D424-Q427 HydrophobicContact CB-CG 4.19Å; D424-Q427 PolarHBondContact O-N 3.11Å; P425-Q427 VanDerWaalsContact C-N 3.3Å; P425-Q427 PolarHBondContact O-N 3.23Å; Q427-R429 PolarHBondContact O-N 3.17Å; Q427-R429 VanDerWaalsContact O-N 3.16Å |
| 428 | S | 96.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -67.3 | -14.3 | -176.8 | 69 | 0 | 0 | 0 | 0 | 115 | A367 Y418 D419 D424 P425 A430 | A367-S428 VanDerWaalsContact CB-OG 3.32Å; A367-S428 WeakPolarHBondContact CB-OG 3.39Å; Y418-S428 WeakPolarHBondContact CA-O 3.42Å; Y418-S428 WeakPolarHBondContact CD2-O 3.32Å; D419-S428 PolarHBondContact N-O 2.86Å; D419-S428 VanDerWaalsContact N-O 3.12Å; D424-S428 PolarHBondContact O-N 3.21Å; P425-S428 PolarHBondContact O-N 3.29Å; P425-S428 PolarHBondContact O-OG 3.24Å; S428-A430 PolarHBondContact O-N 3.37Å; S428-A430 VanDerWaalsContact O-N 3.12Å; S428-A430 PolarHBondContact OG-N 3.18Å |
| 429 | R | 95.9 | Very high | 94.9 | Very high | 129 Ų | 129 | 56.7 Ų | 56.7 | 49% | 0.487 | 29% | 0.292 | S | S | . | . | trans | 55.7 | 25 | -176 | -58.2 | 176.4 | 67.7 | -168.6 | -0.6 | 114.3 | Q427 L431 E432 | Q427-R429 PolarHBondContact O-N 3.17Å; Q427-R429 VanDerWaalsContact O-N 3.16Å; R429-L431 VanDerWaalsContact C-N 3.31Å; R429-L431 PolarHBondContact O-N 3.19Å; R429-E432 IonicContact CZ-OE2 2.83Å; R429-E432 VanDerWaalsContact CZ-OE2 3.24Å; R429-E432 IonicContact NE-OE1 2.84Å; R429-E432 IonicContact NE-OE2 3.79Å; R429-E432 PolarHBondContact NE-OE2 2.91Å; R429-E432 IonicContact NH2-OE2 2.79Å; R429-E432 PolarHBondContact NH2-OE2 3.42Å; R429-E432 WeakPolarHBondContact O-CB 3.33Å; R429-E432 PolarHBondContact O-N 3.14Å | ||
| 430 | A | 96.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 56 Ų | 56 | 2% | 0.017 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -59.4 | -35.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A366 A367 K370 L404 Y418 S428 E432 S433 | A366-A430 HydrophobicContact CB-CB 4.25Å; A367-A430 VanDerWaalsContact CA-CB 3.42Å; A367-A430 HydrophobicContact CB-CB 4.11Å; K370-A430 HydrophobicContact CB-CB 3.96Å; K370-A430 HydrophobicContact CG-CB 4.37Å; L404-A430 WeakPolarHBondContact CD2-O 3.31Å; Y418-A430 HydrophobicContact CD2-CB 3.76Å; Y418-A430 HydrophobicContact CE2-CB 4.04Å; S428-A430 PolarHBondContact O-N 3.37Å; S428-A430 VanDerWaalsContact O-N 3.12Å; S428-A430 PolarHBondContact OG-N 3.18Å; A430-E432 PolarHBondContact O-N 3.43Å; A430-S433 WeakPolarHBondContact O-CB 3.43Å; A430-S433 PolarHBondContact O-N 3.33Å; A430-S433 VanDerWaalsContact O-N 3.12Å |
| 431 | L | 94.1 | Very high | 95.1 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 29% | 0.293 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -63.1 | -26.1 | 176.7 | -83.3 | 176.3 | 0 | 0 | 0 | 113.6 | A362 Y363 A366 V403 R407 R429 S433 | A362-L431 HydrophobicContact CB-CD1 4.36Å; Y363-L431 VanDerWaalsContact CA-CD1 3.45Å; A366-L431 HydrophobicContact CB-CD2 3.45Å; A366-L431 VanDerWaalsContact CB-CD2 3.45Å; A366-L431 HydrophobicContact CB-CG 3.6Å; V403-L431 HydrophobicContact CG2-CD2 4.19Å; R407-L431 PolarHBondContact NH2-O 2.9Å; R429-L431 VanDerWaalsContact C-N 3.31Å; R429-L431 PolarHBondContact O-N 3.19Å; L431-S433 VanDerWaalsContact C-N 3.3Å |
| 432 | E | 93.1 | Very high | 95.3 | Very high | 89 Ų | 89 | 51.7 Ų | 51.7 | 42% | 0.416 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -80 | -16.6 | 179 | -63.1 | 169.3 | -145 | 0 | 0 | 111.6 | R407 P417 R429 A430 | R407-E432 PolarHBondContact NH1-O 3.41Å; R407-E432 VanDerWaalsContact NH2-C 3.27Å; R407-E432 PolarHBondContact NH2-O 3.13Å; P417-E432 HydrophobicContact CB-CB 4.22Å; P417-E432 HydrophobicContact CG-CB 3.69Å; R429-E432 IonicContact CZ-OE2 2.83Å; R429-E432 VanDerWaalsContact CZ-OE2 3.24Å; R429-E432 IonicContact NE-OE1 2.84Å; R429-E432 IonicContact NE-OE2 3.79Å; R429-E432 PolarHBondContact NE-OE2 2.91Å; R429-E432 IonicContact NH2-OE2 2.79Å; R429-E432 PolarHBondContact NH2-OE2 3.42Å; R429-E432 WeakPolarHBondContact O-CB 3.33Å; R429-E432 PolarHBondContact O-N 3.14Å; A430-E432 PolarHBondContact O-N 3.43Å |
| 433 | S | 94.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -88.1 | -179.4 | 179.7 | 165.9 | 0 | 0 | 0 | 0 | 113.5 | K370 L404 R407 D416 A430 L431 | K370-S433 WeakPolarHBondContact CE-OG 3.43Å; K370-S433 PolarHBondContact NZ-OG 2.76Å; K370-S433 VanDerWaalsContact NZ-OG 3.09Å; L404-S433 WeakPolarHBondContact CD2-O 3.31Å; R407-S433 PolarHBondContact NH2-O 2.97Å; D416-S433 WeakPolarHBondContact OD1-CB 3.33Å; D416-S433 PolarHBondContact OD1-OG 3.11Å; A430-S433 WeakPolarHBondContact O-CB 3.43Å; A430-S433 PolarHBondContact O-N 3.33Å; A430-S433 VanDerWaalsContact O-N 3.12Å; L431-S433 VanDerWaalsContact C-N 3.3Å |
| 434 | S | 94.9 | Very high | 95.7 | Very high | 25 Ų | 25 | 55.1 Ų | 55.1 | 18% | 0.175 | 26% | 0.262 | C | S | . | . | trans | -124.9 | 169.7 | 166.5 | -57.1 | 0 | 0 | 0 | 0 | 112.5 | K370 L404 | K370-S434 PolarHBondContact NZ-O 3.15Å; L404-S434 CarbonylContact O-C 3.52Å; L404-S434 VanDerWaalsContact O-CA 3.27Å; L404-S434 WeakPolarHBondContact O-CA 3.44Å; L404-S434 WeakPolarHBondContact O-CB 3.2Å | ||
| 435 | L | 95.9 | Very high | 95.7 | Very high | 12 Ų | 12 | 61.4 Ų | 61.4 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | trans | -98.7 | 56.7 | -178 | -70.2 | 165.5 | 0 | 0 | 0 | 112.8 | K370 A373 L395 L404 V405 E437 L438 | K370-L435 HydrophobicContact CB-CD2 4.44Å; K370-L435 HydrophobicContact CD-CD2 4.14Å; A373-L435 HydrophobicContact CB-CD2 3.58Å; L395-L435 HydrophobicContact CD1-CD1 3.94Å; L404-L435 HydrophobicContact CB-CD1 3.72Å; L404-L435 HydrophobicContact CB-CG 3.86Å; L404-L435 HydrophobicContact CD1-CD1 4.13Å; L404-L435 HydrophobicContact CD1-CG 4.37Å; L404-L435 PolarHBondContact O-N 3.13Å; V405-L435 HydrophobicContact CG2-CD1 4.24Å; L435-E437 PolarHBondContact O-N 3.01Å; L435-E437 VanDerWaalsContact O-N 3.16Å; L435-L438 HydrophobicContact CB-CD1 4.12Å; L435-L438 HydrophobicContact CB-CG 4.19Å; L435-L438 HydrophobicContact CD1-CD1 4.04Å; L435-L438 PolarHBondContact O-N 2.9Å | ||
| 436 | W | 95.4 | Very high | 95.6 | Very high | 110 Ų | 110 | 61.9 Ų | 61.9 | 42% | 0.417 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.9 | -24.6 | 177.8 | -61 | -75.3 | 0 | 0 | 0 | 113.4 | L413 D416 L438 Q439 A440 | L413-W436 HydrophobicContact CD1-CH2 4.13Å; D416-W436 HydrophobicContact CB-CH2 4.48Å; D416-W436 HydrophobicContact CB-CZ3 3.92Å; W436-L438 VanDerWaalsContact C-N 3.27Å; W436-L438 PolarHBondContact O-N 2.74Å; W436-Q439 WeakPolarHBondContact O-CB 3.5Å; W436-Q439 PolarHBondContact O-N 3.16Å; W436-Q439 VanDerWaalsContact O-N 3.1Å; W436-A440 PolarHBondContact O-N 2.82Å |
| 437 | E | 97.4 | Very high | 95.6 | Very high | 7 Ų | 7 | 64.4 Ų | 64.4 | 3% | 0.033 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.1 | -37.6 | 178.7 | -57.8 | 84.8 | 177.9 | 0 | 0 | 111.5 | K370 A373 R374 L377 L435 Q439 A440 L441 | K370-E437 WeakPolarHBondContact CE-OE1 3.34Å; K370-E437 IonicContact NZ-OE1 3.56Å; K370-E437 PolarHBondContact NZ-OE1 3.5Å; K370-E437 IonicContact NZ-OE2 3.46Å; K370-E437 PolarHBondContact NZ-OE2 3.02Å; A373-E437 HydrophobicContact CB-CB 4.04Å; A373-E437 HydrophobicContact CB-CG 4.49Å; A373-E437 VanDerWaalsContact O-CB 3.3Å; A373-E437 WeakPolarHBondContact O-CB 3.22Å; R374-E437 WeakPolarHBondContact CD-OE1 3.17Å; R374-E437 HydrophobicContact CG-CG 4.46Å; R374-E437 WeakPolarHBondContact CG-OE1 3.46Å; R374-E437 IonicContact CZ-OE1 3.65Å; R374-E437 IonicContact NE-OE1 3.42Å; R374-E437 PolarHBondContact NE-OE1 3.02Å; R374-E437 IonicContact NH1-OE1 2.95Å; R374-E437 IonicContact NH2-OE1 3.54Å; L377-E437 HydrophobicContact CD1-CB 4.3Å; L377-E437 HydrophobicContact CD1-CG 3.71Å; L377-E437 HydrophobicContact CD2-CB 3.92Å; L377-E437 HydrophobicContact CD2-CG 4.27Å; L377-E437 HydrophobicContact CG-CB 3.99Å; L377-E437 HydrophobicContact CG-CG 3.93Å; L435-E437 PolarHBondContact O-N 3.01Å; L435-E437 VanDerWaalsContact O-N 3.16Å; E437-Q439 VanDerWaalsContact C-N 3.32Å; E437-Q439 PolarHBondContact O-N 3.36Å; E437-A440 PolarHBondContact O-N 3.05Å; E437-L441 WeakPolarHBondContact O-CG 3.37Å; E437-L441 PolarHBondContact O-N 3.36Å |
| 438 | L | 96.1 | Very high | 95.6 | Very high | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.2 | -37.9 | 175.2 | -61.9 | -174.2 | 0 | 0 | 0 | 111.3 | A373 L388 I391 L435 W436 L441 Q442 I456 | A373-L438 HydrophobicContact CB-CD2 4.49Å; L388-L438 HydrophobicContact CD2-CD2 3.54Å; I391-L438 HydrophobicContact CD1-CD2 4.09Å; I391-L438 HydrophobicContact CG2-CD1 4.1Å; L435-L438 HydrophobicContact CB-CD1 4.12Å; L435-L438 HydrophobicContact CB-CG 4.19Å; L435-L438 HydrophobicContact CD1-CD1 4.04Å; L435-L438 PolarHBondContact O-N 2.9Å; W436-L438 VanDerWaalsContact C-N 3.27Å; W436-L438 PolarHBondContact O-N 2.74Å; L438-L441 PolarHBondContact O-N 2.71Å; L438-Q442 WeakPolarHBondContact O-CG 3.37Å; L438-Q442 PolarHBondContact O-N 2.91Å; L438-I456 HydrophobicContact CD1-CG1 4.22Å |
| 439 | Q | 95.6 | Very high | 95.6 | Very high | 126 Ų | 126 | 61.8 Ų | 61.8 | 59% | 0.589 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.9 | -40.5 | 176.3 | -174 | 177.4 | 6.5 | 0 | 0 | 111.6 | W436 E437 L441 Q442 | W436-Q439 WeakPolarHBondContact O-CB 3.5Å; W436-Q439 PolarHBondContact O-N 3.16Å; W436-Q439 VanDerWaalsContact O-N 3.1Å; E437-Q439 VanDerWaalsContact C-N 3.32Å; E437-Q439 PolarHBondContact O-N 3.36Å; Q439-L441 VanDerWaalsContact C-N 3.34Å; Q439-Q442 WeakPolarHBondContact O-CB 3.09Å; Q439-Q442 PolarHBondContact O-N 3.28Å |
| 440 | A | 96.5 | Very high | 95.6 | Very high | 61 Ų | 61 | 57.1 Ų | 57.1 | 50% | 0.504 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L377 W436 E437 Q442 R443 | L377-A440 HydrophobicContact CD2-CB 4.29Å; W436-A440 PolarHBondContact O-N 2.82Å; E437-A440 PolarHBondContact O-N 3.05Å; A440-Q442 PolarHBondContact O-N 3.03Å; A440-R443 PolarHBondContact O-N 3.43Å; A440-R443 VanDerWaalsContact O-N 3.11Å |
| 441 | L | 97.3 | Very high | 95.5 | Very high | 10 Ų | 10 | 64.6 Ų | 64.6 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.1 | -15.5 | 179.3 | -69.9 | 171 | 0 | 0 | 0 | 114.1 | A376 L377 L384 L388 E437 L438 Q439 R443 H444 A453 | A376-L441 HydrophobicContact CB-CD1 3.76Å; L377-L441 HydrophobicContact CD2-CG 4.49Å; L384-L441 HydrophobicContact CD1-CD2 4.08Å; L384-L441 HydrophobicContact CD2-CD1 3.97Å; L384-L441 HydrophobicContact CD2-CD2 4.19Å; L388-L441 HydrophobicContact CD2-CD1 4.03Å; E437-L441 WeakPolarHBondContact O-CG 3.37Å; E437-L441 PolarHBondContact O-N 3.36Å; L438-L441 PolarHBondContact O-N 2.71Å; Q439-L441 VanDerWaalsContact C-N 3.34Å; L441-R443 PolarHBondContact O-N 3.4Å; L441-H444 WeakPolarHBondContact O-CB 2.99Å; L441-H444 PolarHBondContact O-N 3.12Å; L441-A453 HydrophobicContact CB-CB 3.91Å |
| 442 | Q | 97.2 | Very high | 95.5 | Very high | 41 Ų | 41 | 63 Ų | 63 | 19% | 0.192 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20.3 | 171.6 | -66.1 | 176 | 21.6 | 0 | 0 | 112.4 | L438 Q439 A440 S450 A453 N457 | L438-Q442 WeakPolarHBondContact O-CG 3.37Å; L438-Q442 PolarHBondContact O-N 2.91Å; Q439-Q442 WeakPolarHBondContact O-CB 3.09Å; Q439-Q442 PolarHBondContact O-N 3.28Å; A440-Q442 PolarHBondContact O-N 3.03Å; Q442-S450 WeakPolarHBondContact O-CB 3.45Å; Q442-S450 PolarHBondContact O-OG 3.24Å; Q442-A453 HydrophobicContact CG-CB 3.96Å; Q442-N457 VanDerWaalsContact CD-ND2 3.34Å; Q442-N457 PolarHBondContact NE2-ND2 2.97Å; Q442-N457 PolarHBondContact NE2-OD1 3.48Å; Q442-N457 PolarHBondContact OE1-ND2 3.14Å |
| 443 | R | 96.2 | Very high | 95.7 | Very high | 236 Ų | 236 | 59 Ų | 59 | 89% | 0.891 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 25.9 | 175.7 | -61 | -177.3 | -179.6 | 174.9 | -0.2 | 113 | A440 L441 | A440-R443 PolarHBondContact O-N 3.43Å; A440-R443 VanDerWaalsContact O-N 3.11Å; L441-R443 PolarHBondContact O-N 3.4Å |
| 444 | H | 97.3 | Very high | 95.7 | Very high | 36 Ų | 36 | 60.6 Ų | 60.6 | 17% | 0.167 | 29% | 0.293 | C | S | . | . | trans | -68.9 | 146 | 179.2 | -171 | -91.9 | 0 | 0 | 0 | 112.1 | L441 H446 V449 | L441-H444 WeakPolarHBondContact O-CB 2.99Å; L441-H444 PolarHBondContact O-N 3.12Å; H444-H446 VanDerWaalsContact C-N 3.27Å; H444-H446 WeakPolarHBondContact ND1-CB 3.49Å; H444-H446 PolarHBondContact ND1-N 3.06Å; H444-H446 PolarHBondContact O-N 3.42Å; H444-V449 HydrophobicContact CB-CB 4.24Å; H444-V449 HydrophobicContact CB-CG1 3.77Å; H444-V449 WeakPolarHBondContact ND1-CB 3.36Å | ||
| 445 | Y | 95.1 | Very high | 95.5 | Very high | 179 Ų | 179 | 61.7 Ų | 61.7 | 70% | 0.702 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -62 | -33.4 | -177.8 | 68.8 | -95.4 | 0 | 0 | 0 | 113.2 | P381 | P381-Y445 HydrophobicContact CG-CE2 4.44Å; P381-Y445 WeakPolarHBondContact CG-OH 3.37Å |
| 446 | H | 94.2 | Very high | 95.3 | Very high | 16 Ų | 16 | 61.9 Ų | 61.9 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -83 | 121.3 | 177.4 | -168.9 | -93 | 0 | 0 | 0 | 110.8 | H444 E448 V449 S450 I478 D482 | H444-H446 VanDerWaalsContact C-N 3.27Å; H444-H446 WeakPolarHBondContact ND1-CB 3.49Å; H444-H446 PolarHBondContact ND1-N 3.06Å; H444-H446 PolarHBondContact O-N 3.42Å; H446-E448 IonicContact CE1-OE2 2.65Å; H446-E448 PolarHBondContact ND1-N 3.21Å; H446-E448 PolarHBondContact O-N 3.3Å; H446-V449 HydrophobicContact CB-CB 4.28Å; H446-V449 HydrophobicContact CB-CG2 4.04Å; H446-V449 WeakPolarHBondContact O-CB 3.43Å; H446-V449 PolarHBondContact O-N 3.04Å; H446-V449 VanDerWaalsContact O-N 3.13Å; H446-S450 PolarHBondContact O-N 3.23Å; H446-S450 VanDerWaalsContact O-N 3.13Å; H446-I478 WeakPolarHBondContact NE2-CG2 3.24Å; H446-D482 IonicContact NE2-OD2 3.48Å |
| 447 | P | 93.3 | Very high | 95 | Very high | 91 Ų | 91 | 61.7 Ų | 61.7 | 59% | 0.591 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.6 | -35.5 | -171.2 | 23.9 | -34 | 0 | 0 | 0 | 113.4 | V449 S450 K451 | P447-V449 VanDerWaalsContact C-N 3.3Å; P447-V449 PolarHBondContact O-N 3.41Å; P447-S450 PolarHBondContact O-N 3Å; P447-K451 WeakPolarHBondContact O-CB 3.39Å; P447-K451 PolarHBondContact O-N 2.96Å |
| 448 | E | 94.1 | Very high | 94.4 | Very high | 66 Ų | 66 | 68 Ų | 68 | 31% | 0.308 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.7 | -30.8 | 178.6 | -56.6 | -173.2 | 157.3 | 0 | 0 | 112.3 | L385 H446 A452 K485 | L385-E448 HydrophobicContact CD2-CB 3.91Å; H446-E448 IonicContact CE1-OE2 2.65Å; H446-E448 PolarHBondContact ND1-N 3.21Å; H446-E448 PolarHBondContact O-N 3.3Å; E448-A452 VanDerWaalsContact O-CB 3.3Å; E448-A452 WeakPolarHBondContact O-CB 3.39Å; E448-A452 PolarHBondContact O-N 3.28Å; E448-K485 IonicContact OE1-NZ 2.79Å; E448-K485 PolarHBondContact OE1-NZ 2.99Å |
| 449 | V | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71.3 | -47 | 175.9 | 173 | 0 | 0 | 0 | 0 | 109.6 | P381 L384 L385 L388 H444 H446 P447 K451 A452 A453 | P381-V449 HydrophobicContact CB-CG2 4.21Å; L384-V449 HydrophobicContact CB-CG1 4.02Å; L384-V449 HydrophobicContact CB-CG2 4.14Å; L384-V449 HydrophobicContact CD1-CG1 3.78Å; L384-V449 HydrophobicContact CG-CG1 4.47Å; L385-V449 HydrophobicContact CD2-CG2 3.86Å; L385-V449 HydrophobicContact CG-CG2 4.01Å; L388-V449 HydrophobicContact CD1-CG1 4Å; H444-V449 HydrophobicContact CB-CB 4.24Å; H444-V449 HydrophobicContact CB-CG1 3.77Å; H444-V449 WeakPolarHBondContact ND1-CB 3.36Å; H446-V449 HydrophobicContact CB-CB 4.28Å; H446-V449 HydrophobicContact CB-CG2 4.04Å; H446-V449 WeakPolarHBondContact O-CB 3.43Å; H446-V449 PolarHBondContact O-N 3.04Å; H446-V449 VanDerWaalsContact O-N 3.13Å; P447-V449 VanDerWaalsContact C-N 3.3Å; P447-V449 PolarHBondContact O-N 3.41Å; V449-K451 VanDerWaalsContact C-N 3.29Å; V449-K451 PolarHBondContact O-N 2.64Å; V449-A452 PolarHBondContact O-N 3.17Å; V449-A453 WeakPolarHBondContact O-CB 3.3Å; V449-A453 PolarHBondContact O-N 2.89Å |
| 450 | S | 96.5 | Very high | 92.7 | Very high | 32 Ų | 32 | 68 Ų | 68 | 22% | 0.224 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.4 | -45 | 174 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | Q442 H446 P447 A453 S454 | Q442-S450 WeakPolarHBondContact O-CB 3.45Å; Q442-S450 PolarHBondContact O-OG 3.24Å; H446-S450 PolarHBondContact O-N 3.23Å; H446-S450 VanDerWaalsContact O-N 3.13Å; P447-S450 PolarHBondContact O-N 3Å; S450-A453 PolarHBondContact O-N 3.38Å; S450-S454 WeakPolarHBondContact O-CB 3.3Å; S450-S454 PolarHBondContact O-N 3.33Å; S450-S454 PolarHBondContact O-OG 3.32Å |
| 451 | K | 94.7 | Very high | 91.3 | Very high | 159 Ų | 159 | 68.5 Ų | 68.5 | 69% | 0.691 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.7 | -46.3 | 175.7 | -173.4 | 178 | -179.6 | 179.3 | 0 | 112.2 | P447 V449 A453 S454 V455 | P447-K451 WeakPolarHBondContact O-CB 3.39Å; P447-K451 PolarHBondContact O-N 2.96Å; V449-K451 VanDerWaalsContact C-N 3.29Å; V449-K451 PolarHBondContact O-N 2.64Å; K451-A453 PolarHBondContact O-N 2.74Å; K451-S454 PolarHBondContact O-N 2.79Å; K451-V455 PolarHBondContact O-N 3.18Å |
| 452 | A | 94.5 | Very high | 89.7 | Confident | 23 Ų | 23 | 74.6 Ų | 74.6 | 19% | 0.19 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L388 E448 V449 S454 V455 | L388-A452 HydrophobicContact CB-CB 4.21Å; L388-A452 HydrophobicContact CD1-CB 3.8Å; E448-A452 VanDerWaalsContact O-CB 3.3Å; E448-A452 WeakPolarHBondContact O-CB 3.39Å; E448-A452 PolarHBondContact O-N 3.28Å; V449-A452 PolarHBondContact O-N 3.17Å; A452-S454 VanDerWaalsContact C-N 3.3Å; A452-S454 PolarHBondContact O-N 2.83Å; A452-V455 WeakPolarHBondContact O-CB 3.06Å; A452-V455 WeakPolarHBondContact O-CG2 3.28Å; A452-V455 PolarHBondContact O-N 3.12Å |
| 453 | A | 96 | Very high | 88.8 | Confident | 3 Ų | 3 | 77 Ų | 77 | 3% | 0.025 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.2 | -32.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L388 L441 Q442 V449 S450 K451 V455 I456 | L388-A453 HydrophobicContact CD1-CB 4.06Å; L388-A453 HydrophobicContact CD2-CB 4.15Å; L441-A453 HydrophobicContact CB-CB 3.91Å; Q442-A453 HydrophobicContact CG-CB 3.96Å; V449-A453 WeakPolarHBondContact O-CB 3.3Å; V449-A453 PolarHBondContact O-N 2.89Å; S450-A453 PolarHBondContact O-N 3.38Å; K451-A453 PolarHBondContact O-N 2.74Å; A453-V455 VanDerWaalsContact C-N 3.27Å; A453-V455 PolarHBondContact O-N 3.48Å; A453-I456 VanDerWaalsContact O-CG2 3.25Å; A453-I456 WeakPolarHBondContact O-CG2 3.3Å |
| 454 | S | 94.8 | Very high | 88.2 | Confident | 35 Ų | 35 | 70.5 Ų | 70.5 | 25% | 0.245 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -74.4 | -12.8 | 179.5 | -59.9 | 0 | 0 | 0 | 0 | 113.9 | S450 K451 A452 I456 N457 | S450-S454 WeakPolarHBondContact O-CB 3.3Å; S450-S454 PolarHBondContact O-N 3.33Å; S450-S454 PolarHBondContact O-OG 3.32Å; K451-S454 PolarHBondContact O-N 2.79Å; A452-S454 VanDerWaalsContact C-N 3.3Å; A452-S454 PolarHBondContact O-N 2.83Å; S454-I456 PolarHBondContact O-N 3.25Å; S454-I456 VanDerWaalsContact O-N 3.16Å; S454-N457 WeakPolarHBondContact O-CB 3.36Å; S454-N457 PolarHBondContact O-N 3.42Å; S454-N457 VanDerWaalsContact O-N 3.07Å |
| 455 | V | 91.8 | Very high | 87.7 | Confident | 48 Ų | 48 | 72 Ų | 72 | 29% | 0.291 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -56.9 | -31.1 | 175.9 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | K451 A452 A453 N457 Q458 L460 | K451-V455 PolarHBondContact O-N 3.18Å; A452-V455 WeakPolarHBondContact O-CB 3.06Å; A452-V455 WeakPolarHBondContact O-CG2 3.28Å; A452-V455 PolarHBondContact O-N 3.12Å; A453-V455 VanDerWaalsContact C-N 3.27Å; A453-V455 PolarHBondContact O-N 3.48Å; V455-N457 PolarHBondContact O-N 3.13Å; V455-Q458 PolarHBondContact O-N 3.01Å; V455-Q458 VanDerWaalsContact O-N 3.15Å; V455-L460 HydrophobicContact CG1-CD2 4.2Å |
| 456 | I | 90.6 | Very high | 87.5 | Confident | 15 Ų | 15 | 67.1 Ų | 67.1 | 8% | 0.077 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -65.2 | -22.4 | -179.8 | -157.9 | 58 | 0 | 0 | 0 | 113.8 | L395 V405 L438 A453 S454 Q458 L460 | L395-I456 HydrophobicContact CD1-CD1 3.64Å; V405-I456 HydrophobicContact CB-CG1 4.5Å; V405-I456 HydrophobicContact CG1-CG1 3.88Å; V405-I456 HydrophobicContact CG2-CD1 3.77Å; V405-I456 HydrophobicContact CG2-CG1 3.74Å; L438-I456 HydrophobicContact CD1-CG1 4.22Å; A453-I456 VanDerWaalsContact O-CG2 3.25Å; A453-I456 WeakPolarHBondContact O-CG2 3.3Å; S454-I456 PolarHBondContact O-N 3.25Å; S454-I456 VanDerWaalsContact O-N 3.16Å; I456-Q458 VanDerWaalsContact C-N 3.26Å; I456-Q458 PolarHBondContact O-N 3.33Å; I456-L460 HydrophobicContact CD1-CD1 3.85Å; I456-L460 HydrophobicContact CD1-CD2 4.2Å; I456-L460 HydrophobicContact CD1-CG 4.33Å |
| 457 | N | 89.8 | Confident | 87.5 | Confident | 106 Ų | 106 | 66.6 Ų | 66.6 | 57% | 0.567 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -76.8 | -17.5 | 178.8 | -61.1 | -20 | 0 | 0 | 0 | 112.1 | Q442 S454 V455 | Q442-N457 VanDerWaalsContact CD-ND2 3.34Å; Q442-N457 PolarHBondContact NE2-ND2 2.97Å; Q442-N457 PolarHBondContact NE2-OD1 3.48Å; Q442-N457 PolarHBondContact OE1-ND2 3.14Å; S454-N457 WeakPolarHBondContact O-CB 3.36Å; S454-N457 PolarHBondContact O-N 3.42Å; S454-N457 VanDerWaalsContact O-N 3.07Å; V455-N457 PolarHBondContact O-N 3.13Å |
| 458 | Q | 85.6 | Confident | 87.4 | Confident | 141 Ų | 141 | 65 Ų | 65 | 66% | 0.659 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -91 | 156.6 | 176.7 | -59.5 | 177.8 | 12.2 | 0 | 0 | 109.5 | V455 I456 L460 | V455-Q458 PolarHBondContact O-N 3.01Å; V455-Q458 VanDerWaalsContact O-N 3.15Å; I456-Q458 VanDerWaalsContact C-N 3.26Å; I456-Q458 PolarHBondContact O-N 3.33Å; Q458-L460 PolarHBondContact O-N 3.39Å |
| 459 | A | 78.4 | Confident | 87.3 | Confident | 100 Ų | 100 | 66.1 Ų | 66.1 | 83% | 0.826 | 40% | 0.399 | S | S | * | . | trans | -57.6 | 113.6 | 169 | 0 | 0 | 0 | 0 | 0 | 108.5 | S461 | A459-S461 VanDerWaalsContact C-N 3.33Å; A459-S461 PolarHBondContact O-N 2.84Å | ||
| 460 | L | 77.2 | Confident | 87.2 | Confident | 30 Ų | 30 | 67.8 Ų | 67.8 | 16% | 0.157 | 41% | 0.407 | C | S | . | . | trans | -62.8 | 96.6 | 177.8 | -65.3 | 177.7 | 0 | 0 | 0 | 108.5 | C392 L395 R396 V455 I456 Q458 | C392-L460 HydrophobicContact CB-CD2 4.42Å; L395-L460 HydrophobicContact CB-CD1 3.95Å; R396-L460 HydrophobicContact CG-CB 3.97Å; R396-L460 HydrophobicContact CG-CD1 4.34Å; V455-L460 HydrophobicContact CG1-CD2 4.2Å; I456-L460 HydrophobicContact CD1-CD1 3.85Å; I456-L460 HydrophobicContact CD1-CD2 4.2Å; I456-L460 HydrophobicContact CD1-CG 4.33Å; Q458-L460 PolarHBondContact O-N 3.39Å | ||
| 461 | S | 67.4 | Low | 87 | Confident | 72 Ų | 72 | 66.9 Ų | 66.9 | 50% | 0.503 | 40% | 0.4 | S | S | . | . | trans | -65.2 | 160.4 | 176.5 | 61.7 | 0 | 0 | 0 | 0 | 110.9 | R396 A459 P463 | R396-S461 WeakPolarHBondContact CD-O 3.46Å; R396-S461 PolarHBondContact NE-O 3.09Å; A459-S461 VanDerWaalsContact C-N 3.33Å; A459-S461 PolarHBondContact O-N 2.84Å; S461-P463 VanDerWaalsContact C-CD 3.46Å | ||
| 462 | V | 62.4 | Low | 86.8 | Confident | 137 Ų | 137 | 66.6 Ų | 66.6 | 83% | 0.83 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -65.4 | -34.2 | -171.1 | -176.7 | 0 | 0 | 0 | 0 | 115.1 | E464 | V462-E464 PolarHBondContact O-N 3.33Å; V462-E464 VanDerWaalsContact O-N 3.16Å |
| 463 | P | 78.4 | Confident | 86.7 | Confident | 93 Ų | 93 | 65.6 Ų | 65.6 | 60% | 0.604 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -68.4 | 123.3 | -178.2 | 27.1 | -32.2 | 0 | 0 | 0 | 110.5 | S461 | S461-P463 VanDerWaalsContact C-CD 3.46Š|
| 464 | E | 84.9 | Confident | 86.5 | Confident | 98 Ų | 98 | 68 Ų | 68 | 46% | 0.458 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 147.2 | 172.9 | -68.3 | -168 | -178.9 | 0 | 0 | 110.9 | R397 V462 | R397-E464 WeakPolarHBondContact CG-OE1 3.31Å; R397-E464 IonicContact CZ-OE1 2.88Å; R397-E464 IonicContact CZ-OE2 3.86Å; R397-E464 IonicContact NE-OE1 2.65Å; R397-E464 PolarHBondContact NE-OE1 2.73Å; R397-E464 IonicContact NE-OE2 2.84Å; R397-E464 PolarHBondContact NE-OE2 3.23Å; R397-E464 IonicContact NH2-OE1 2.63Å; R397-E464 IonicContact NH2-OE2 3.78Å; R397-E464 PolarHBondContact NH2-OE2 3.46Å; V462-E464 PolarHBondContact O-N 3.33Å; V462-E464 VanDerWaalsContact O-N 3.16Å |
| 465 | V | 86.9 | Confident | 86.4 | Confident | 67 Ų | 67 | 69 Ų | 69 | 41% | 0.406 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -90.8 | 119.2 | 172.4 | -179.4 | 0 | 0 | 0 | 0 | 107.7 | P389 N393 I467 | P389-V465 HydrophobicContact CB-CB 4.33Å; P389-V465 HydrophobicContact CB-CG1 4.18Å; N393-V465 PolarHBondContact ND2-O 3.49Å; N393-V465 PolarHBondContact OD1-N 3.04Å; V465-I467 PolarHBondContact O-N 3.44Å |
| 466 | S | 90.4 | Very high | 86.5 | Confident | 78 Ų | 78 | 73.9 Ų | 73.9 | 55% | 0.545 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 124.9 | 175.7 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | A468 | S466-A468 PolarHBondContact OG-N 2.79Š|
| 467 | I | 92.8 | Very high | 86.6 | Confident | 5 Ų | 5 | 76.9 Ų | 76.9 | 3% | 0.026 | 45% | 0.445 | C | S | . | . | trans | -85.3 | -13.5 | 174.8 | 64.8 | 169.9 | 0 | 0 | 0 | 112.6 | D352 P389 F390 V465 P469 L470 L471 | D352-I467 HydrophobicContact CB-CD1 3.64Å; P389-I467 HydrophobicContact CB-CG2 4.26Å; P389-I467 HydrophobicContact CG-CG2 4.21Å; F390-I467 HydrophobicContact CB-CG2 4.46Å; F390-I467 HydrophobicContact CD2-CD1 3.61Å; F390-I467 HydrophobicContact CE2-CD1 4.08Å; V465-I467 PolarHBondContact O-N 3.44Å; I467-P469 VanDerWaalsContact C-CD 3.45Å; I467-L470 WeakPolarHBondContact O-CA 3.47Å; I467-L470 WeakPolarHBondContact O-CB 3.27Å; I467-L470 PolarHBondContact O-N 3.49Å; I467-L471 HydrophobicContact CD1-CD2 4.17Å; I467-L471 HydrophobicContact CG1-CD2 4.41Å; I467-L471 PolarHBondContact O-N 2.78Å | ||
| 468 | A | 92.3 | Very high | 86.7 | Confident | 56 Ų | 56 | 72.4 Ų | 72.4 | 46% | 0.463 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -49.8 | -46.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S466 L470 L471 | S466-A468 PolarHBondContact OG-N 2.79Å; A468-L470 PolarHBondContact O-N 3.29Å; A468-L470 VanDerWaalsContact O-N 3.14Å; A468-L471 PolarHBondContact O-N 2.92Å |
| 469 | P | 92.3 | Very high | 87 | Confident | 90 Ų | 90 | 71.5 Ų | 71.5 | 58% | 0.584 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -70.2 | -8.2 | 179.1 | 29.2 | -35.8 | 0 | 0 | 0 | 114 | I467 | I467-P469 VanDerWaalsContact C-CD 3.45Š|
| 470 | L | 93.2 | Very high | 87.7 | Confident | 35 Ų | 35 | 69 Ų | 69 | 18% | 0.183 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -103 | -14.3 | -177.1 | -53.2 | 171.7 | 0 | 0 | 0 | 112.2 | L385 M386 P389 I467 A468 E472 L473 | L385-L470 WeakPolarHBondContact O-CD1 3.39Å; M386-L470 HydrophobicContact CB-CB 4.07Å; P389-L470 HydrophobicContact CG-CD1 3.9Å; I467-L470 WeakPolarHBondContact O-CA 3.47Å; I467-L470 WeakPolarHBondContact O-CB 3.27Å; I467-L470 PolarHBondContact O-N 3.49Å; A468-L470 PolarHBondContact O-N 3.29Å; A468-L470 VanDerWaalsContact O-N 3.14Å; L470-E472 VanDerWaalsContact C-N 3.31Å; L470-E472 PolarHBondContact O-N 3.26Å; L470-L473 HydrophobicContact CD2-CD2 4.43Å; L470-L473 WeakPolarHBondContact O-CB 3.35Å; L470-L473 PolarHBondContact O-N 2.85Å |
| 471 | L | 92 | Very high | 88.4 | Confident | 14 Ų | 14 | 73 Ų | 73 | 7% | 0.073 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -37.8 | -175.3 | -68.4 | 175.5 | 0 | 0 | 0 | 113 | R344 A345 F348 H349 M386 I467 A468 | R344-L471 PolarHBondContact NH1-O 2.87Å; A345-L471 HydrophobicContact CB-CB 3.91Å; A345-L471 WeakPolarHBondContact CB-O 3.39Å; F348-L471 HydrophobicContact CB-CD2 3.66Å; H349-L471 HydrophobicContact CB-CD1 3.78Å; M386-L471 HydrophobicContact CG-CD2 4.27Å; M386-L471 HydrophobicContact SD-CD2 3.77Å; I467-L471 HydrophobicContact CD1-CD2 4.17Å; I467-L471 HydrophobicContact CG1-CD2 4.41Å; I467-L471 PolarHBondContact O-N 2.78Å; A468-L471 PolarHBondContact O-N 2.92Å |
| 472 | E | 91.2 | Very high | 89.3 | Confident | 152 Ų | 152 | 72.5 Ų | 72.5 | 71% | 0.71 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 0.5 | -177.7 | -62.8 | -170.3 | 161.3 | 0 | 0 | 113.1 | A345 L470 T474 | A345-E472 HydrophobicContact CB-CG 3.98Å; L470-E472 VanDerWaalsContact C-N 3.31Å; L470-E472 PolarHBondContact O-N 3.26Å; E472-T474 WeakPolarHBondContact O-CG2 3.42Å; E472-T474 PolarHBondContact O-N 2.98Å |
| 473 | L | 92.8 | Very high | 90.5 | Very high | 2 Ų | 2 | 71.2 Ų | 71.2 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | trans | -57.4 | 128.7 | -176.6 | -175.3 | 65.2 | 0 | 0 | 0 | 111 | R344 E382 L385 L470 E477 I478 | R344-L473 PolarHBondContact NH2-O 3.25Å; E382-L473 HydrophobicContact CB-CG 4.36Å; L385-L473 HydrophobicContact CB-CD2 4.29Å; L385-L473 HydrophobicContact CD1-CD2 3.75Å; L470-L473 HydrophobicContact CD2-CD2 4.43Å; L470-L473 WeakPolarHBondContact O-CB 3.35Å; L470-L473 PolarHBondContact O-N 2.85Å; L473-E477 WeakPolarHBondContact CA-OE2 3.4Å; L473-E477 HydrophobicContact CD1-CB 3.96Å; L473-I478 HydrophobicContact CD1-CG1 4.1Å; L473-I478 HydrophobicContact CD2-CD1 4.03Å; L473-I478 HydrophobicContact CD2-CG1 3.94Å; L473-I478 HydrophobicContact CG-CD1 4.29Å; L473-I478 HydrophobicContact CG-CG1 3.99Å | ||
| 474 | T | 92.5 | Very high | 90.9 | Very high | 55 Ų | 55 | 73.8 Ų | 73.8 | 34% | 0.337 | 38% | 0.381 | S | S | . | . | trans | -110.8 | 157.9 | 178.5 | 64.5 | 0 | 0 | 0 | 0 | 112.2 | E472 Y476 E477 I478 | E472-T474 WeakPolarHBondContact O-CG2 3.42Å; E472-T474 PolarHBondContact O-N 2.98Å; T474-Y476 PolarHBondContact O-N 2.99Å; T474-E477 PolarHBondContact N-OE2 3.28Å; T474-E477 PolarHBondContact O-N 3.23Å; T474-E477 VanDerWaalsContact O-N 3.11Å; T474-E477 WeakPolarHBondContact OG1-CG 3.47Å; T474-E477 PolarHBondContact OG1-N 3.39Å; T474-E477 PolarHBondContact OG1-OE2 2.64Å; T474-I478 PolarHBondContact O-N 3.46Å; T474-I478 VanDerWaalsContact O-N 3.08Å | ||
| 475 | A | 91.8 | Very high | 90.8 | Very high | 54 Ų | 54 | 74.2 Ų | 74.2 | 45% | 0.446 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -55.9 | -35.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I478 F479 | A475-I478 PolarHBondContact O-N 2.76Å; A475-F479 WeakPolarHBondContact O-CB 3.37Å; A475-F479 PolarHBondContact O-N 3.4Å |
| 476 | Y | 93.8 | Very high | 89.8 | Confident | 152 Ų | 152 | 80.9 Ų | 80.9 | 60% | 0.596 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.9 | -43.9 | 175.7 | 176.3 | -105.8 | 0 | 0 | 0 | 112.1 | T474 I478 F479 E480 | T474-Y476 PolarHBondContact O-N 2.99Å; Y476-I478 VanDerWaalsContact C-N 3.35Å; Y476-I478 PolarHBondContact O-N 3.48Å; Y476-F479 WeakPolarHBondContact O-CB 3.34Å; Y476-F479 PolarHBondContact O-N 3.37Å; Y476-E480 HydrophobicContact CD1-CG 4.22Å; Y476-E480 HydrophobicContact CD2-CG 4.4Å; Y476-E480 HydrophobicContact CE1-CG 3.68Å; Y476-E480 HydrophobicContact CE2-CG 3.86Å; Y476-E480 VanDerWaalsContact CZ-CG 3.45Å; Y476-E480 WeakPolarHBondContact O-CB 3.44Å; Y476-E480 WeakPolarHBondContact O-CG 3.43Å; Y476-E480 PolarHBondContact O-N 3.43Å; Y476-E480 PolarHBondContact OH-OE1 3.49Å |
| 477 | E | 92.3 | Very high | 88.6 | Confident | 77 Ų | 77 | 80.6 Ų | 80.6 | 36% | 0.36 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.8 | -35 | 178 | -71.3 | 169.1 | 144 | 0 | 0 | 112.7 | L473 T474 R481 | L473-E477 WeakPolarHBondContact CA-OE2 3.4Å; L473-E477 HydrophobicContact CD1-CB 3.96Å; T474-E477 PolarHBondContact N-OE2 3.28Å; T474-E477 PolarHBondContact O-N 3.23Å; T474-E477 VanDerWaalsContact O-N 3.11Å; T474-E477 WeakPolarHBondContact OG1-CG 3.47Å; T474-E477 PolarHBondContact OG1-N 3.39Å; T474-E477 PolarHBondContact OG1-OE2 2.64Å; E477-R481 WeakPolarHBondContact O-CB 3.41Å; E477-R481 WeakPolarHBondContact O-CG 3.43Å; E477-R481 PolarHBondContact O-N 3.36Å |
| 478 | I | 92.7 | Very high | 87 | Confident | 13 Ų | 13 | 86.2 Ų | 86.2 | 7% | 0.067 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -60 | -51 | 172.3 | -66.3 | 176.1 | 0 | 0 | 0 | 109.3 | P381 E382 L385 H446 L473 T474 A475 Y476 E480 R481 D482 | P381-I478 HydrophobicContact CB-CD1 4.47Å; E382-I478 HydrophobicContact CB-CD1 3.61Å; L385-I478 HydrophobicContact CD1-CD1 3.87Å; L385-I478 HydrophobicContact CD1-CG1 4.43Å; H446-I478 WeakPolarHBondContact NE2-CG2 3.24Å; L473-I478 HydrophobicContact CD1-CG1 4.1Å; L473-I478 HydrophobicContact CD2-CD1 4.03Å; L473-I478 HydrophobicContact CD2-CG1 3.94Å; L473-I478 HydrophobicContact CG-CD1 4.29Å; L473-I478 HydrophobicContact CG-CG1 3.99Å; T474-I478 PolarHBondContact O-N 3.46Å; T474-I478 VanDerWaalsContact O-N 3.08Å; A475-I478 PolarHBondContact O-N 2.76Å; Y476-I478 VanDerWaalsContact C-N 3.35Å; Y476-I478 PolarHBondContact O-N 3.48Å; I478-E480 PolarHBondContact O-N 2.83Å; I478-R481 WeakPolarHBondContact O-CB 3.3Å; I478-R481 PolarHBondContact O-N 3.03Å; I478-D482 PolarHBondContact O-N 3.46Å |
| 479 | F | 92.1 | Very high | 86 | Confident | 121 Ų | 121 | 91.3 Ų | 91.3 | 53% | 0.531 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.7 | -46.3 | 178.3 | 177.5 | -102.7 | 0 | 0 | 0 | 112.6 | A475 Y476 R481 D482 L483 | A475-F479 WeakPolarHBondContact O-CB 3.37Å; A475-F479 PolarHBondContact O-N 3.4Å; Y476-F479 WeakPolarHBondContact O-CB 3.34Å; Y476-F479 PolarHBondContact O-N 3.37Å; F479-R481 VanDerWaalsContact C-N 3.33Å; F479-R481 PolarHBondContact O-N 3.25Å; F479-D482 PolarHBondContact O-N 3.11Å; F479-L483 HydrophobicContact CD1-CD1 3.91Å; F479-L483 HydrophobicContact CD1-CG 4.42Å; F479-L483 HydrophobicContact CE1-CD1 3.33Å; F479-L483 HydrophobicContact CE1-CG 4.02Å; F479-L483 HydrophobicContact CE2-CG 4.44Å; F479-L483 HydrophobicContact CZ-CD1 3.7Å; F479-L483 HydrophobicContact CZ-CD2 4.22Å; F479-L483 HydrophobicContact CZ-CG 4.02Å; F479-L483 PolarHBondContact O-N 3.05Å |
| 480 | E | 93.3 | Very high | 85.4 | Confident | 47 Ų | 47 | 92.8 Ų | 92.8 | 22% | 0.22 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 176.2 | -82.3 | -71.6 | 127.9 | 0 | 0 | 113 | Y476 I478 D482 K484 | Y476-E480 HydrophobicContact CD1-CG 4.22Å; Y476-E480 HydrophobicContact CD2-CG 4.4Å; Y476-E480 HydrophobicContact CE1-CG 3.68Å; Y476-E480 HydrophobicContact CE2-CG 3.86Å; Y476-E480 VanDerWaalsContact CZ-CG 3.45Å; Y476-E480 WeakPolarHBondContact O-CB 3.44Å; Y476-E480 WeakPolarHBondContact O-CG 3.43Å; Y476-E480 PolarHBondContact O-N 3.43Å; Y476-E480 PolarHBondContact OH-OE1 3.49Å; I478-E480 PolarHBondContact O-N 2.83Å; E480-D482 VanDerWaalsContact C-N 3.34Å; E480-K484 WeakPolarHBondContact O-CD 3.43Å; E480-K484 VanDerWaalsContact O-CG 3.29Å; E480-K484 WeakPolarHBondContact O-CG 3.26Å; E480-K484 PolarHBondContact O-N 3.46Å; E480-K484 VanDerWaalsContact O-N 3.15Å; E480-K484 WeakPolarHBondContact OE2-CE 3.39Å; E480-K484 IonicContact OE2-NZ 2.72Å; E480-K484 PolarHBondContact OE2-NZ 3Å; E480-K484 VanDerWaalsContact OE2-NZ 3.07Å |
| 481 | R | 90.1 | Very high | 84.8 | Confident | 116 Ų | 116 | 96.9 Ų | 96.9 | 44% | 0.438 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 175.6 | -76.3 | 169 | -176.2 | -173.7 | 4.7 | 110.6 | E477 I478 F479 K484 K485 | E477-R481 WeakPolarHBondContact O-CB 3.41Å; E477-R481 WeakPolarHBondContact O-CG 3.43Å; E477-R481 PolarHBondContact O-N 3.36Å; I478-R481 WeakPolarHBondContact O-CB 3.3Å; I478-R481 PolarHBondContact O-N 3.03Å; F479-R481 VanDerWaalsContact C-N 3.33Å; F479-R481 PolarHBondContact O-N 3.25Å; R481-K484 PolarHBondContact O-N 3.02Å; R481-K485 WeakPolarHBondContact O-CG 3.42Å; R481-K485 PolarHBondContact O-N 3.15Å; R481-K485 VanDerWaalsContact O-N 3.16Å |
| 482 | D | 86.4 | Confident | 84.4 | Confident | 60 Ų | 60 | 102 Ų | 102 | 32% | 0.321 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 178.6 | -72.8 | -20.4 | 0 | 0 | 0 | 112.3 | H446 I478 F479 E480 K484 K485 | H446-D482 IonicContact NE2-OD2 3.48Å; I478-D482 PolarHBondContact O-N 3.46Å; F479-D482 PolarHBondContact O-N 3.11Å; E480-D482 VanDerWaalsContact C-N 3.34Å; D482-K484 VanDerWaalsContact C-N 3.27Å; D482-K484 PolarHBondContact O-N 3.19Å; D482-K485 WeakPolarHBondContact O-CB 3.46Å; D482-K485 PolarHBondContact O-N 2.91Å; D482-K485 WeakPolarHBondContact OD1-CE 3.31Å; D482-K485 IonicContact OD1-NZ 3.72Å; D482-K485 PolarHBondContact OD1-NZ 3.07Å |
| 483 | L | 87.9 | Confident | 84 | Confident | 111 Ų | 111 | 102.5 Ų | 102.5 | 58% | 0.581 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.3 | -35 | 172.8 | -75.3 | 179.5 | 0 | 0 | 0 | 113.1 | F479 | F479-L483 HydrophobicContact CD1-CD1 3.91Å; F479-L483 HydrophobicContact CD1-CG 4.42Å; F479-L483 HydrophobicContact CE1-CD1 3.33Å; F479-L483 HydrophobicContact CE1-CG 4.02Å; F479-L483 HydrophobicContact CE2-CG 4.44Å; F479-L483 HydrophobicContact CZ-CD1 3.7Å; F479-L483 HydrophobicContact CZ-CD2 4.22Å; F479-L483 HydrophobicContact CZ-CG 4.02Å; F479-L483 PolarHBondContact O-N 3.05Å |
| 484 | K | 87.6 | Confident | 83.6 | Confident | 147 Ų | 147 | 110.5 Ų | 110.5 | 64% | 0.639 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -81.3 | -16.1 | -178.7 | -71.7 | 169.5 | -169.3 | 163.9 | 0 | 113.3 | E480 R481 D482 K486 | E480-K484 WeakPolarHBondContact O-CD 3.43Å; E480-K484 VanDerWaalsContact O-CG 3.29Å; E480-K484 WeakPolarHBondContact O-CG 3.26Å; E480-K484 PolarHBondContact O-N 3.46Å; E480-K484 VanDerWaalsContact O-N 3.15Å; E480-K484 WeakPolarHBondContact OE2-CE 3.39Å; E480-K484 IonicContact OE2-NZ 2.72Å; E480-K484 PolarHBondContact OE2-NZ 3Å; E480-K484 VanDerWaalsContact OE2-NZ 3.07Å; R481-K484 PolarHBondContact O-N 3.02Å; D482-K484 VanDerWaalsContact C-N 3.27Å; D482-K484 PolarHBondContact O-N 3.19Å; K484-K486 PolarHBondContact O-N 3.49Å |
| 485 | K | 83.3 | Confident | 83.2 | Confident | 107 Ų | 107 | 116.7 Ų | 116.7 | 47% | 0.465 | 60% | 0.604 | S | S | . | * | trans | -64.5 | 98 | 173.2 | -74.4 | 171.1 | -173.2 | 165.3 | 0 | 108.1 | E448 R481 D482 G487 | E448-K485 IonicContact OE1-NZ 2.79Å; E448-K485 PolarHBondContact OE1-NZ 2.99Å; R481-K485 WeakPolarHBondContact O-CG 3.42Å; R481-K485 PolarHBondContact O-N 3.15Å; R481-K485 VanDerWaalsContact O-N 3.16Å; D482-K485 WeakPolarHBondContact O-CB 3.46Å; D482-K485 PolarHBondContact O-N 2.91Å; D482-K485 WeakPolarHBondContact OD1-CE 3.31Å; D482-K485 IonicContact OD1-NZ 3.72Å; D482-K485 PolarHBondContact OD1-NZ 3.07Å; K485-G487 PolarHBondContact O-N 3.36Å | ||
| 486 | K | 65.6 | Low | 82.6 | Confident | 207 Ų | 207 | 119.7 Ų | 119.7 | 90% | 0.9 | 61% | 0.612 | S | S | * | * | trans | -62.8 | 106.9 | 170.2 | -74.3 | -175.7 | 177.7 | -178.4 | 0 | 108 | K484 S488 | K484-K486 PolarHBondContact O-N 3.49Å; K486-S488 PolarHBondContact O-N 3.28Å; K486-S488 VanDerWaalsContact O-N 3.16Å | ||
| 487 | G | 65.4 | Low | 82.1 | Confident | 72 Ų | 72 | 115.9 Ų | 115.9 | 74% | 0.742 | 61% | 0.605 | S | S | * | * | trans | -61.4 | 114.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | K485 | K485-G487 PolarHBondContact O-N 3.36Š| ||
| 488 | S | 58.8 | Low | 81.4 | Confident | 122 Ų | 122 | 117 Ų | 117 | 85% | 0.853 | 63% | 0.628 | S | S | * | * | trans | -82.5 | -3.7 | 175.4 | -174.1 | 0 | 0 | 0 | 0 | 112.4 | K486 | K486-S488 PolarHBondContact O-N 3.28Å; K486-S488 VanDerWaalsContact O-N 3.16Å | ||
| 489 | E | 71.6 | Confident | 80.7 | Confident | 163 Ų | 163 | 121.4 Ų | 121.4 | 76% | 0.762 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -125.9 | 144.7 | -174 | -67.3 | -179.4 | 172.2 | 0 | 0 | 110.1 | V491 | E489-V491 PolarHBondContact O-N 3.38Š|
| 490 | P | 79.7 | Confident | 80 | Confident | 122 Ų | 122 | 118 Ų | 118 | 79% | 0.792 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 131.3 | 171.5 | 26.2 | -33.1 | 0 | 0 | 0 | 109.3 | P492 | P490-P492 WeakPolarHBondContact O-CD 3.13Š|
| 491 | V | 80.3 | Confident | 79.4 | Confident | 120 Ų | 120 | 122.9 Ų | 122.9 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 121.5 | 178.1 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | E489 L493 | E489-V491 PolarHBondContact O-N 3.38Å; V491-L493 PolarHBondContact O-N 3.08Å |
| 492 | P | 82.9 | Confident | 79 | Confident | 123 Ų | 123 | 119.5 Ų | 119.5 | 80% | 0.799 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 130.2 | 177.7 | 26.5 | -32.8 | 0 | 0 | 0 | 109.1 | P490 | P490-P492 WeakPolarHBondContact O-CD 3.13Š|
| 493 | L | 84.3 | Confident | 78.7 | Confident | 162 Ų | 162 | 117.8 Ų | 117.8 | 85% | 0.848 | 66% | 0.661 | S | S | * | * | trans | -106.7 | 129.6 | 176.4 | -62.9 | 175.8 | 0 | 0 | 0 | 109 | V491 | V491-L493 PolarHBondContact O-N 3.08Š| ||
| 494 | E | 83.1 | Confident | 78.3 | Confident | 169 Ų | 169 | 116 Ų | 116 | 79% | 0.79 | 65% | 0.65 | S | S | * | * | trans | -91.1 | 125.3 | 164.9 | -172.9 | 173.1 | -163.2 | 0 | 0 | 108.3 | I496 | E494-I496 HydrophobicContact CG-CG1 4.19Å; E494-I496 PolarHBondContact O-N 2.94Å | ||
| 495 | F | 84.3 | Confident | 77.4 | Confident | 186 Ų | 186 | 115.2 Ų | 115.2 | 82% | 0.816 | 66% | 0.659 | S | S | * | * | trans | -84.3 | 108.3 | 177.5 | 179.2 | -101.4 | 0 | 0 | 0 | 110.1 | ||||
| 496 | I | 80.4 | Confident | 77 | Confident | 117 Ų | 117 | 112.6 Ų | 112.6 | 60% | 0.6 | 66% | 0.663 | S | S | * | * | trans | -113.5 | 121.5 | 171.8 | -55.5 | 176.3 | 0 | 0 | 0 | 107.5 | E494 A498 | E494-I496 HydrophobicContact CG-CG1 4.19Å; E494-I496 PolarHBondContact O-N 2.94Å; I496-A498 PolarHBondContact O-N 3.16Å | ||
| 497 | P | 81.3 | Confident | 77.8 | Confident | 71 Ų | 71 | 107.1 Ų | 107.1 | 46% | 0.461 | 64% | 0.64 | S | S | . | * | trans | -64.5 | 132.1 | -180 | 25.9 | -32.9 | 0 | 0 | 0 | 110.5 | Q499 | P497-Q499 PolarHBondContact O-N 2.91Š| ||
| 498 | A | 78.2 | Confident | 78.7 | Confident | 102 Ų | 102 | 109.7 Ų | 109.7 | 84% | 0.843 | 64% | 0.636 | S | S | * | * | trans | -68.8 | 118.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I496 | I496-A498 PolarHBondContact O-N 3.16Š| ||
| 499 | Q | 78.8 | Confident | 80 | Confident | 105 Ų | 105 | 107.1 Ų | 107.1 | 49% | 0.491 | 62% | 0.618 | S | S | . | * | trans | -105.6 | 6.3 | -179.8 | -58.5 | -166.6 | 15.2 | 0 | 0 | 113.4 | P497 Q504 | P497-Q499 PolarHBondContact O-N 2.91Å; Q499-Q504 HydrophobicContact CB-CG 4.03Å; Q499-Q504 VanDerWaalsContact CD-CD 3.43Å; Q499-Q504 VanDerWaalsContact CD-NE2 3.3Å; Q499-Q504 HydrophobicContact CG-CG 4.19Å | ||
| 500 | G | 77.8 | Confident | 80.6 | Confident | 48 Ų | 48 | 101 Ų | 101 | 50% | 0.495 | 60% | 0.595 | S | S | . | * | trans | 148 | 166.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111 | L502 G503 | G500-L502 VanDerWaalsContact C-N 3.32Å; G500-G503 PolarHBondContact O-N 3.37Å | ||
| 501 | L | 79.9 | Confident | 80.9 | Confident | 150 Ų | 150 | 100.8 Ų | 100.8 | 79% | 0.785 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -28.5 | 179.3 | -176.3 | 69.7 | 0 | 0 | 0 | 112.6 | L515 | L501-L515 HydrophobicContact CB-CD1 3.75Å; L501-L515 HydrophobicContact CD2-CD1 3.62Å; L501-L515 HydrophobicContact CD2-CD2 4Å; L501-L515 HydrophobicContact CD2-CG 4.48Å; L501-L515 HydrophobicContact CG-CD1 4.1Å |
| 502 | L | 82.4 | Confident | 81.2 | Confident | 45 Ų | 45 | 101.7 Ų | 101.7 | 24% | 0.236 | 58% | 0.579 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -98.7 | 7.5 | 178 | -61.4 | -176.9 | 0 | 0 | 0 | 113.9 | G500 C509 A510 F513 L515 | G500-L502 VanDerWaalsContact C-N 3.32Å; L502-C509 WeakPolarHBondContact O-CB 3.48Å; L502-A510 HydrophobicContact CB-CB 4.3Å; L502-A510 PolarHBondContact O-N 3.07Å; L502-F513 HydrophobicContact CD1-CB 4Å; L502-F513 WeakPolarHBondContact CD1-O 3.26Å; L502-F513 HydrophobicContact CD2-CB 4.32Å; L502-L515 HydrophobicContact CD1-CD1 4.25Å; L502-L515 HydrophobicContact CD1-CG 3.86Å; L502-L515 HydrophobicContact CD2-CD1 4.46Å; L502-L515 HydrophobicContact CD2-CD2 4.37Å; L502-L515 HydrophobicContact CD2-CG 4.31Å; L502-L515 HydrophobicContact CG-CD1 3.88Å; L502-L515 HydrophobicContact CG-CG 3.93Å |
| 503 | G | 79.8 | Confident | 81.4 | Confident | 24 Ų | 24 | 102.1 Ų | 102.1 | 25% | 0.247 | 57% | 0.569 | C | S | . | * | trans | 86.5 | -164.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | G500 E507 | G500-G503 PolarHBondContact O-N 3.37Å; G503-E507 WeakPolarHBondContact CA-OE2 3.25Å | ||
| 504 | Q | 78.4 | Confident | 81.3 | Confident | 75 Ų | 75 | 100.5 Ų | 100.5 | 35% | 0.35 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -76.4 | 151.1 | -176.3 | -50.7 | -169.1 | 6.7 | 0 | 0 | 112.3 | Q499 G506 E507 A510 | Q499-Q504 HydrophobicContact CB-CG 4.03Å; Q499-Q504 VanDerWaalsContact CD-CD 3.43Å; Q499-Q504 VanDerWaalsContact CD-NE2 3.3Å; Q499-Q504 HydrophobicContact CG-CG 4.19Å; Q504-G506 PolarHBondContact O-N 3.4Å; Q504-E507 HydrophobicContact CB-CG 4.2Å; Q504-E507 PolarHBondContact N-OE2 3.3Å; Q504-E507 PolarHBondContact O-N 2.92Å; Q504-A510 WeakPolarHBondContact O-CB 3.38Å |
| 505 | P | 68.4 | Low | 81.1 | Confident | 129 Ų | 129 | 97.9 Ų | 97.9 | 84% | 0.838 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | 109 | 168 | -19.5 | 31.2 | 0 | 0 | 0 | 110.2 | ||
| 506 | G | 75.3 | Confident | 80.5 | Confident | 53 Ų | 53 | 97.8 Ų | 97.8 | 55% | 0.546 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 118.2 | -13 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q504 Q511 | Q504-G506 PolarHBondContact O-N 3.4Å; G506-Q511 PolarHBondContact O-NE2 3.36Å |
| 507 | E | 82.3 | Confident | 80.5 | Confident | 91 Ų | 91 | 96.8 Ų | 96.8 | 43% | 0.425 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -75.3 | 149 | 168 | -72.1 | -178.9 | -171.3 | 0 | 0 | 111.4 | G503 Q504 C509 A510 Q511 | G503-E507 WeakPolarHBondContact CA-OE2 3.25Å; Q504-E507 HydrophobicContact CB-CG 4.2Å; Q504-E507 PolarHBondContact N-OE2 3.3Å; Q504-E507 PolarHBondContact O-N 2.92Å; E507-C509 PolarHBondContact O-N 3.28Å; E507-C509 VanDerWaalsContact O-N 3.15Å; E507-A510 PolarHBondContact O-N 3.25Å; E507-A510 VanDerWaalsContact O-N 3.08Å; E507-Q511 WeakPolarHBondContact O-CG 3.23Å; E507-Q511 PolarHBondContact O-N 3.16Å |
| 508 | L | 85.6 | Confident | 80.4 | Confident | 126 Ų | 126 | 98.2 Ų | 98.2 | 66% | 0.66 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -53.8 | -38.5 | -175.7 | -71.8 | 169.2 | 0 | 0 | 0 | 112.6 | Q511 H512 | L508-Q511 PolarHBondContact O-N 3.5Å; L508-H512 PolarHBondContact O-CD2 2.96Å; L508-H512 PolarHBondContact O-N 3.41Å |
| 509 | C | 84.9 | Confident | 80.6 | Confident | 69 Ų | 69 | 97.9 Ų | 97.9 | 47% | 0.466 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.2 | -46.7 | 178.4 | -70.5 | 0 | 0 | 0 | 0 | 112.3 | L502 E507 Q511 H512 F513 | L502-C509 WeakPolarHBondContact O-CB 3.48Å; E507-C509 PolarHBondContact O-N 3.28Å; E507-C509 VanDerWaalsContact O-N 3.15Å; C509-Q511 VanDerWaalsContact C-N 3.29Å; C509-Q511 PolarHBondContact O-N 3.15Å; C509-H512 PolarHBondContact O-N 3.39Å; C509-F513 WeakPolarHBondContact O-CB 3.36Å; C509-F513 WeakPolarHBondContact O-CD2 3.39Å; C509-F513 PolarHBondContact O-N 3.16Å |
| 510 | A | 83.8 | Confident | 80.7 | Confident | 33 Ų | 33 | 97.5 Ų | 97.5 | 27% | 0.273 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.3 | -23.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L502 Q504 E507 | L502-A510 HydrophobicContact CB-CB 4.3Å; L502-A510 PolarHBondContact O-N 3.07Å; Q504-A510 WeakPolarHBondContact O-CB 3.38Å; E507-A510 PolarHBondContact O-N 3.25Å; E507-A510 VanDerWaalsContact O-N 3.08Å |
| 511 | Q | 86.1 | Confident | 80.8 | Confident | 118 Ų | 118 | 100.6 Ų | 100.6 | 55% | 0.551 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -75.1 | -35 | 174.8 | -69.1 | -179.6 | 16.8 | 0 | 0 | 112.9 | G506 E507 L508 C509 | G506-Q511 PolarHBondContact O-NE2 3.36Å; E507-Q511 WeakPolarHBondContact O-CG 3.23Å; E507-Q511 PolarHBondContact O-N 3.16Å; L508-Q511 PolarHBondContact O-N 3.5Å; C509-Q511 VanDerWaalsContact C-N 3.29Å; C509-Q511 PolarHBondContact O-N 3.15Å |
| 512 | H | 87.8 | Confident | 80.9 | Confident | 139 Ų | 139 | 97.3 Ų | 97.3 | 64% | 0.644 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -103.6 | -19.7 | -172.4 | -70.4 | -60.5 | 0 | 0 | 0 | 114.5 | L508 C509 | L508-H512 PolarHBondContact O-CD2 2.96Å; L508-H512 PolarHBondContact O-N 3.41Å; C509-H512 PolarHBondContact O-N 3.39Å |
| 513 | F | 86.5 | Confident | 80.8 | Confident | 133 Ų | 133 | 101.1 Ų | 101.1 | 58% | 0.583 | 59% | 0.589 | S | S | * | * | trans | -121.6 | 143.6 | -178.3 | -61.5 | -86.8 | 0 | 0 | 0 | 110.6 | L502 C509 | L502-F513 HydrophobicContact CD1-CB 4Å; L502-F513 WeakPolarHBondContact CD1-O 3.26Å; L502-F513 HydrophobicContact CD2-CB 4.32Å; C509-F513 WeakPolarHBondContact O-CB 3.36Å; C509-F513 WeakPolarHBondContact O-CD2 3.39Å; C509-F513 PolarHBondContact O-N 3.16Å | ||
| 514 | T | 82.7 | Confident | 80.9 | Confident | 128 Ų | 128 | 107 Ų | 107 | 79% | 0.785 | 62% | 0.615 | S | S | * | * | trans | -126.9 | 133.3 | 172.2 | 55.8 | 0 | 0 | 0 | 0 | 108.6 | S516 | T514-S516 PolarHBondContact O-N 2.81Š| ||
| 515 | L | 77.5 | Confident | 81.1 | Confident | 113 Ų | 113 | 109.7 Ų | 109.7 | 59% | 0.592 | 64% | 0.637 | S | S | * | * | trans | -82.9 | 106.5 | 169.6 | -62.3 | 164.7 | 0 | 0 | 0 | 107 | L501 L502 | L501-L515 HydrophobicContact CB-CD1 3.75Å; L501-L515 HydrophobicContact CD2-CD1 3.62Å; L501-L515 HydrophobicContact CD2-CD2 4Å; L501-L515 HydrophobicContact CD2-CG 4.48Å; L501-L515 HydrophobicContact CG-CD1 4.1Å; L502-L515 HydrophobicContact CD1-CD1 4.25Å; L502-L515 HydrophobicContact CD1-CG 3.86Å; L502-L515 HydrophobicContact CD2-CD1 4.46Å; L502-L515 HydrophobicContact CD2-CD2 4.37Å; L502-L515 HydrophobicContact CD2-CG 4.31Å; L502-L515 HydrophobicContact CG-CD1 3.88Å; L502-L515 HydrophobicContact CG-CG 3.93Å | ||
| 516 | S | 71.9 | Confident | 82.2 | Confident | 184 Ų | 184 | 107.9 Ų | 107.9 | 100% | 1.287 | 62% | 0.619 | S | S | * | * | trans | -78.4 | 0 | 174.1 | 59 | 0 | 0 | 0 | 0 | 111.9 | T514 | T514-S516 PolarHBondContact O-N 2.81Š|
Retrieved 516 of 516 residues in 1577.3 ms
(Link to these results)