| 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 | 58.2 | Low | 76.2 | Confident | 207 Ų | 207 | 116.7 Ų | 116.7 | 100% | 1.02 | 59% | 0.588 | S | S | * | * | 0 | -9.1 | 0 | -76.6 | 169.6 | 170.6 | 0 | 0 | 113.4 | R3 T4 | M1-R3 PolarHBondContact O-N 2.96Å; M1-T4 PolarHBondContact O-OG1 3.27Å | |||
| 2 | T | 69.1 | Low | 76.4 | Confident | 117 Ų | 117 | 115.2 Ų | 115.2 | 72% | 0.718 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -72.3 | -22.2 | -170.8 | 50.8 | 0 | 0 | 0 | 0 | 117.1 | T4 D6 | T2-T4 PolarHBondContact O-N 3.3Å; T2-D6 PolarHBondContact O-N 3.41Å |
| 3 | R | 74 | Confident | 76.9 | Confident | 192 Ų | 192 | 111.5 Ų | 111.5 | 73% | 0.725 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.4 | -38.1 | -175.5 | -174.2 | 82.2 | 144 | 93.8 | 5.3 | 112.6 | M1 Q7 | M1-R3 PolarHBondContact O-N 2.96Å; R3-Q7 VanDerWaalsContact O-CG 3.31Å; R3-Q7 WeakPolarHBondContact O-CG 3.44Å; R3-Q7 PolarHBondContact O-N 3.38Å |
| 4 | T | 76.5 | Confident | 77 | Confident | 105 Ų | 105 | 110.2 Ų | 110.2 | 64% | 0.644 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -78.7 | -38.2 | -176.6 | 45.9 | 0 | 0 | 0 | 0 | 111.9 | M1 T2 Q7 S8 | M1-T4 PolarHBondContact O-OG1 3.27Å; T2-T4 PolarHBondContact O-N 3.3Å; T4-Q7 PolarHBondContact O-N 3.09Å; T4-S8 PolarHBondContact O-N 3.22Å |
| 5 | E | 77 | Confident | 77.2 | Confident | 121 Ų | 121 | 109.2 Ų | 109.2 | 57% | 0.565 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.6 | -46.5 | 175.2 | -74.1 | 166.1 | 108.2 | 0 | 0 | 110.8 | Q7 S8 E9 | E5-Q7 VanDerWaalsContact C-N 3.34Å; E5-Q7 PolarHBondContact O-N 3.24Å; E5-S8 WeakPolarHBondContact O-CB 3.43Å; E5-S8 PolarHBondContact O-N 3.02Å; E5-S8 VanDerWaalsContact O-N 3.16Å; E5-E9 WeakPolarHBondContact O-CG 3.31Å; E5-E9 PolarHBondContact O-N 3.48Å |
| 6 | D | 81.7 | Confident | 77.4 | Confident | 85 Ų | 85 | 110.1 Ų | 110.1 | 46% | 0.455 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59 | -42 | 177.2 | 178.1 | 84.2 | 0 | 0 | 0 | 112.7 | T2 E9 R10 | T2-D6 PolarHBondContact O-N 3.41Å; D6-E9 PolarHBondContact O-N 2.94Å; D6-R10 WeakPolarHBondContact O-CB 3.41Å; D6-R10 WeakPolarHBondContact O-CG 3.39Å; D6-R10 PolarHBondContact O-N 3.36Å; D6-R10 WeakPolarHBondContact OD2-CD 3.29Å |
| 7 | Q | 78.5 | Confident | 77.7 | Confident | 78 Ų | 78 | 109.3 Ų | 109.3 | 36% | 0.364 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.5 | -37.2 | 177.8 | -62.2 | -59.1 | -82.4 | 0 | 0 | 112.3 | R3 T4 E5 A11 | R3-Q7 VanDerWaalsContact O-CG 3.31Å; R3-Q7 WeakPolarHBondContact O-CG 3.44Å; R3-Q7 PolarHBondContact O-N 3.38Å; T4-Q7 PolarHBondContact O-N 3.09Å; E5-Q7 VanDerWaalsContact C-N 3.34Å; E5-Q7 PolarHBondContact O-N 3.24Å; Q7-A11 VanDerWaalsContact O-CB 3.27Å; Q7-A11 WeakPolarHBondContact O-CB 3.06Å; Q7-A11 PolarHBondContact O-N 3.37Å |
| 8 | S | 79.2 | Confident | 77.6 | Confident | 62 Ų | 62 | 107.5 Ų | 107.5 | 43% | 0.434 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.4 | -49.6 | 173.6 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | T4 E5 R10 A11 L12 | T4-S8 PolarHBondContact O-N 3.22Å; E5-S8 WeakPolarHBondContact O-CB 3.43Å; E5-S8 PolarHBondContact O-N 3.02Å; E5-S8 VanDerWaalsContact O-N 3.16Å; S8-R10 VanDerWaalsContact C-N 3.34Å; S8-R10 PolarHBondContact O-N 3.1Å; S8-A11 PolarHBondContact O-N 3.31Å; S8-L12 WeakPolarHBondContact O-CB 3.35Å; S8-L12 VanDerWaalsContact O-CG 3.24Å; S8-L12 WeakPolarHBondContact O-CG 3.48Å; S8-L12 PolarHBondContact O-N 2.98Å |
| 9 | E | 82.9 | Confident | 77.3 | Confident | 117 Ų | 117 | 105.2 Ų | 105.2 | 55% | 0.547 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 178.4 | -71.9 | -64.1 | 122.3 | 0 | 0 | 111.6 | E5 D6 L12 T13 | E5-E9 WeakPolarHBondContact O-CG 3.31Å; E5-E9 PolarHBondContact O-N 3.48Å; D6-E9 PolarHBondContact O-N 2.94Å; E9-L12 PolarHBondContact O-N 3.35Å; E9-T13 VanDerWaalsContact O-CB 3.28Å; E9-T13 WeakPolarHBondContact O-CB 3.26Å; E9-T13 PolarHBondContact O-N 2.97Å; E9-T13 PolarHBondContact O-OG1 3.13Å |
| 10 | R | 83.4 | Confident | 77.1 | Confident | 145 Ų | 145 | 104 Ų | 104 | 55% | 0.547 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 174.7 | -70.9 | 176.6 | 73.7 | -130.9 | 3 | 111.8 | D6 S8 T13 V14 | D6-R10 WeakPolarHBondContact O-CB 3.41Å; D6-R10 WeakPolarHBondContact O-CG 3.39Å; D6-R10 PolarHBondContact O-N 3.36Å; D6-R10 WeakPolarHBondContact OD2-CD 3.29Å; S8-R10 VanDerWaalsContact C-N 3.34Å; S8-R10 PolarHBondContact O-N 3.1Å; R10-T13 PolarHBondContact O-N 3.06Å; R10-V14 WeakPolarHBondContact O-CG2 3.19Å; R10-V14 PolarHBondContact O-N 3.35Å |
| 11 | A | 77.1 | Confident | 76.9 | Confident | 55 Ų | 55 | 104.2 Ų | 104.2 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q7 S8 T13 V14 V15 | Q7-A11 VanDerWaalsContact O-CB 3.27Å; Q7-A11 WeakPolarHBondContact O-CB 3.06Å; Q7-A11 PolarHBondContact O-N 3.37Å; S8-A11 PolarHBondContact O-N 3.31Å; A11-T13 VanDerWaalsContact C-N 3.31Å; A11-T13 PolarHBondContact O-N 3.1Å; A11-V14 PolarHBondContact O-N 3.45Å; A11-V15 WeakPolarHBondContact O-CB 3.08Å; A11-V15 VanDerWaalsContact O-CG2 3.23Å; A11-V15 WeakPolarHBondContact O-CG2 3.26Å; A11-V15 PolarHBondContact O-N 2.94Å |
| 12 | L | 79.1 | Confident | 77.2 | Confident | 98 Ų | 98 | 95.6 Ų | 95.6 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 174.8 | -71.9 | 174.3 | 0 | 0 | 0 | 111.3 | S8 E9 V15 K16 | S8-L12 WeakPolarHBondContact O-CB 3.35Å; S8-L12 VanDerWaalsContact O-CG 3.24Å; S8-L12 WeakPolarHBondContact O-CG 3.48Å; S8-L12 PolarHBondContact O-N 2.98Å; E9-L12 PolarHBondContact O-N 3.35Å; L12-V15 PolarHBondContact O-N 3.46Å; L12-K16 WeakPolarHBondContact O-CB 3.39Å; L12-K16 PolarHBondContact O-N 3.44Å |
| 13 | T | 82.7 | Confident | 77 | Confident | 67 Ų | 67 | 96.5 Ų | 96.5 | 41% | 0.411 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65 | -48 | 176.2 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | E9 R10 A11 V15 K16 D17 | E9-T13 VanDerWaalsContact O-CB 3.28Å; E9-T13 WeakPolarHBondContact O-CB 3.26Å; E9-T13 PolarHBondContact O-N 2.97Å; E9-T13 PolarHBondContact O-OG1 3.13Å; R10-T13 PolarHBondContact O-N 3.06Å; A11-T13 VanDerWaalsContact C-N 3.31Å; A11-T13 PolarHBondContact O-N 3.1Å; T13-V15 VanDerWaalsContact C-N 3.31Å; T13-V15 PolarHBondContact O-N 3.01Å; T13-K16 PolarHBondContact O-N 2.97Å; T13-D17 WeakPolarHBondContact O-CB 3.48Å; T13-D17 PolarHBondContact O-N 3.32Å |
| 14 | V | 78.5 | Confident | 76.5 | Confident | 94 Ų | 94 | 91.9 Ų | 91.9 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.8 | -42.1 | 176.1 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | R10 A11 T18 | R10-V14 WeakPolarHBondContact O-CG2 3.19Å; R10-V14 PolarHBondContact O-N 3.35Å; A11-V14 PolarHBondContact O-N 3.45Å; V14-T18 WeakPolarHBondContact O-CB 3.43Å; V14-T18 PolarHBondContact O-N 3.3Å; V14-T18 PolarHBondContact O-OG1 3.38Å |
| 15 | V | 80 | Confident | 75.7 | Confident | 95 Ų | 95 | 94.9 Ų | 94.9 | 58% | 0.576 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64 | -43.9 | 176.1 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | A11 L12 T13 L19 | A11-V15 WeakPolarHBondContact O-CB 3.08Å; A11-V15 VanDerWaalsContact O-CG2 3.23Å; A11-V15 WeakPolarHBondContact O-CG2 3.26Å; A11-V15 PolarHBondContact O-N 2.94Å; L12-V15 PolarHBondContact O-N 3.46Å; T13-V15 VanDerWaalsContact C-N 3.31Å; T13-V15 PolarHBondContact O-N 3.01Å; V15-L19 WeakPolarHBondContact O-CB 3.5Å; V15-L19 PolarHBondContact O-N 3.27Å |
| 16 | K | 80.3 | Confident | 74.8 | Confident | 124 Ų | 124 | 94.5 Ų | 94.5 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.6 | -43.1 | -179.9 | -174.3 | -175 | 173.6 | -167 | 0 | 112.3 | L12 T13 T18 L19 D20 | L12-K16 WeakPolarHBondContact O-CB 3.39Å; L12-K16 PolarHBondContact O-N 3.44Å; T13-K16 PolarHBondContact O-N 2.97Å; K16-T18 VanDerWaalsContact C-N 3.32Å; K16-L19 CarbonylContact O-C 3.48Å; K16-L19 WeakPolarHBondContact O-CA 3.31Å; K16-L19 VanDerWaalsContact O-CB 3.25Å; K16-L19 WeakPolarHBondContact O-CB 3.43Å; K16-L19 PolarHBondContact O-N 3.43Å; K16-D20 WeakPolarHBondContact O-CB 3.48Å; K16-D20 PolarHBondContact O-N 2.88Å |
| 17 | D | 82.3 | Confident | 73.5 | Confident | 96 Ų | 96 | 98.1 Ų | 98.1 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 175.8 | -75.6 | -8.6 | 0 | 0 | 0 | 110.2 | T13 L19 D20 D21 | T13-D17 WeakPolarHBondContact O-CB 3.48Å; T13-D17 PolarHBondContact O-N 3.32Å; D17-L19 VanDerWaalsContact C-N 3.26Å; D17-L19 PolarHBondContact O-N 3.48Å; D17-D20 PolarHBondContact O-N 3.46Å; D17-D21 WeakPolarHBondContact O-CB 3.49Å; D17-D21 PolarHBondContact O-N 2.75Å |
| 18 | T | 76.5 | Confident | 72.5 | Confident | 77 Ų | 77 | 98 Ų | 98 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 171.6 | -56.5 | 0 | 0 | 0 | 0 | 110.3 | V14 K16 I22 | V14-T18 WeakPolarHBondContact O-CB 3.43Å; V14-T18 PolarHBondContact O-N 3.3Å; V14-T18 PolarHBondContact O-OG1 3.38Å; K16-T18 VanDerWaalsContact C-N 3.32Å; T18-I22 HydrophobicContact CG2-CD1 3.8Å; T18-I22 WeakPolarHBondContact O-CB 3.42Å; T18-I22 VanDerWaalsContact O-CD1 3.24Å; T18-I22 WeakPolarHBondContact O-CD1 3.3Å; T18-I22 WeakPolarHBondContact O-CG1 3.4Å; T18-I22 PolarHBondContact O-N 2.87Å |
| 19 | L | 71.5 | Confident | 72.1 | Confident | 63 Ų | 63 | 101 Ų | 101 | 33% | 0.33 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 177.7 | -170.9 | 67 | 0 | 0 | 0 | 113 | V15 K16 D17 I22 K23 I32 | V15-L19 WeakPolarHBondContact O-CB 3.5Å; V15-L19 PolarHBondContact O-N 3.27Å; K16-L19 CarbonylContact O-C 3.48Å; K16-L19 WeakPolarHBondContact O-CA 3.31Å; K16-L19 VanDerWaalsContact O-CB 3.25Å; K16-L19 WeakPolarHBondContact O-CB 3.43Å; K16-L19 PolarHBondContact O-N 3.43Å; D17-L19 VanDerWaalsContact C-N 3.26Å; D17-L19 PolarHBondContact O-N 3.48Å; L19-I22 WeakPolarHBondContact O-CB 3.27Å; L19-I22 PolarHBondContact O-N 3.36Å; L19-K23 WeakPolarHBondContact O-CB 3.46Å; L19-K23 PolarHBondContact O-N 3.48Å; L19-I32 HydrophobicContact CD1-CB 4.14Å; L19-I32 HydrophobicContact CD1-CD1 3.53Å; L19-I32 HydrophobicContact CD1-CG1 3.44Å; L19-I32 VanDerWaalsContact CD1-CG1 3.44Å; L19-I32 HydrophobicContact CD1-CG2 3.92Å; L19-I32 HydrophobicContact CG-CD1 4.19Å |
| 20 | D | 74.1 | Confident | 71.8 | Confident | 82 Ų | 82 | 99.7 Ų | 99.7 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73.5 | -40.7 | -178.3 | -84 | -11.6 | 0 | 0 | 0 | 111 | K16 D17 I22 K23 S24 | K16-D20 WeakPolarHBondContact O-CB 3.48Å; K16-D20 PolarHBondContact O-N 2.88Å; D17-D20 PolarHBondContact O-N 3.46Å; D20-I22 PolarHBondContact O-N 3.12Å; D20-K23 PolarHBondContact O-N 3.17Å; D20-S24 PolarHBondContact O-N 2.87Å; D20-S24 VanDerWaalsContact O-N 3.16Å |
| 21 | D | 73.2 | Confident | 71.6 | Confident | 108 Ų | 108 | 93.8 Ų | 93.8 | 58% | 0.578 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.2 | -37.4 | 170.2 | -172.1 | 74.7 | 0 | 0 | 0 | 111.3 | D17 R28 | D17-D21 WeakPolarHBondContact O-CB 3.49Å; D17-D21 PolarHBondContact O-N 2.75Å; D21-R28 PolarHBondContact O-NH2 2.89Å; D21-R28 IonicContact OD2-NH2 3.6Å |
| 22 | I | 64.1 | Low | 71.8 | Confident | 27 Ų | 27 | 93.8 Ų | 93.8 | 14% | 0.138 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -64 | -49.3 | 174.8 | -76.8 | 171.5 | 0 | 0 | 0 | 111.3 | T18 L19 D20 S24 R25 R28 V31 I32 | T18-I22 HydrophobicContact CG2-CD1 3.8Å; T18-I22 WeakPolarHBondContact O-CB 3.42Å; T18-I22 VanDerWaalsContact O-CD1 3.24Å; T18-I22 WeakPolarHBondContact O-CD1 3.3Å; T18-I22 WeakPolarHBondContact O-CG1 3.4Å; T18-I22 PolarHBondContact O-N 2.87Å; L19-I22 WeakPolarHBondContact O-CB 3.27Å; L19-I22 PolarHBondContact O-N 3.36Å; D20-I22 PolarHBondContact O-N 3.12Å; I22-S24 VanDerWaalsContact C-N 3.26Å; I22-S24 PolarHBondContact O-N 3.44Å; I22-R25 PolarHBondContact O-N 3.21Å; I22-R28 HydrophobicContact CG2-CB 3.66Å; I22-R28 HydrophobicContact CG2-CG 4.24Å; I22-R28 VanDerWaalsContact O-CB 3.31Å; I22-R28 WeakPolarHBondContact O-CB 3.45Å; I22-R28 PolarHBondContact O-NE 2.73Å; I22-R28 VanDerWaalsContact O-NE 3.13Å; I22-V31 HydrophobicContact CD1-CG1 4.27Å; I22-V31 HydrophobicContact CG2-CB 4.28Å; I22-V31 HydrophobicContact CG2-CG1 4.42Å; I22-I32 HydrophobicContact CG2-CG1 4.27Å |
| 23 | K | 64.6 | Low | 72.1 | Confident | 136 Ų | 136 | 94.3 Ų | 94.3 | 59% | 0.591 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.8 | -29.1 | -177.3 | -173 | -179.1 | 176.7 | -172.1 | 0 | 113.2 | L19 D20 R25 I32 | L19-K23 WeakPolarHBondContact O-CB 3.46Å; L19-K23 PolarHBondContact O-N 3.48Å; D20-K23 PolarHBondContact O-N 3.17Å; K23-R25 PolarHBondContact O-N 3.43Å; K23-I32 HydrophobicContact CB-CD1 4.41Å |
| 24 | S | 64.2 | Low | 72.3 | Confident | 94 Ų | 94 | 91.1 Ų | 91.1 | 66% | 0.657 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -16.5 | 176.3 | -172.9 | 0 | 0 | 0 | 0 | 113.7 | D20 I22 | D20-S24 PolarHBondContact O-N 2.87Å; D20-S24 VanDerWaalsContact O-N 3.16Å; I22-S24 VanDerWaalsContact C-N 3.26Å; I22-S24 PolarHBondContact O-N 3.44Å |
| 25 | R | 59.3 | Low | 72.8 | Confident | 169 Ų | 169 | 89.1 Ų | 89.1 | 64% | 0.638 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -108.9 | 118.1 | 174.3 | -60 | -69.9 | -173.9 | 155.6 | 0.2 | 110.6 | I22 K23 H27 R28 | I22-R25 PolarHBondContact O-N 3.21Å; K23-R25 PolarHBondContact O-N 3.43Å; R25-H27 PolarHBondContact O-N 2.88Å; R25-R28 VanDerWaalsContact CG-NH2 3.34Å; R25-R28 PolarHBondContact O-N 3.37Å |
| 26 | P | 58 | Low | 73.3 | Confident | 113 Ų | 113 | 86.5 Ų | 86.5 | 73% | 0.734 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -59.1 | -22.1 | -175.2 | 17.7 | -28.9 | 0 | 0 | 0 | 114.7 | R28 | P26-R28 VanDerWaalsContact C-N 3.29Å; P26-R28 PolarHBondContact O-N 2.76Å |
| 27 | H | 53.6 | Low | 73.9 | Confident | 160 Ų | 160 | 82.5 Ų | 82.5 | 74% | 0.741 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -75.9 | -9.4 | 177.3 | -155 | 69.6 | 0 | 0 | 0 | 114.4 | R25 | R25-H27 PolarHBondContact O-N 2.88Š|
| 28 | R | 58.3 | Low | 74.4 | Confident | 77 Ų | 77 | 78 Ų | 78 | 29% | 0.291 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -99.8 | 0.3 | -172.3 | -90 | -167.5 | -64.6 | -159.7 | 4.1 | 115.7 | D21 I22 R25 P26 Q30 V31 | D21-R28 PolarHBondContact O-NH2 2.89Å; D21-R28 IonicContact OD2-NH2 3.6Å; I22-R28 HydrophobicContact CG2-CB 3.66Å; I22-R28 HydrophobicContact CG2-CG 4.24Å; I22-R28 VanDerWaalsContact O-CB 3.31Å; I22-R28 WeakPolarHBondContact O-CB 3.45Å; I22-R28 PolarHBondContact O-NE 2.73Å; I22-R28 VanDerWaalsContact O-NE 3.13Å; R25-R28 VanDerWaalsContact CG-NH2 3.34Å; R25-R28 PolarHBondContact O-N 3.37Å; P26-R28 VanDerWaalsContact C-N 3.29Å; P26-R28 PolarHBondContact O-N 2.76Å; R28-Q30 PolarHBondContact O-N 2.8Å; R28-Q30 VanDerWaalsContact O-N 3.14Å; R28-V31 HydrophobicContact CB-CG2 4.45Å; R28-V31 HydrophobicContact CG-CG2 4.22Å; R28-V31 VanDerWaalsContact O-CB 3.28Å; R28-V31 WeakPolarHBondContact O-CB 3.47Å; R28-V31 PolarHBondContact O-N 2.99Å |
| 29 | Q | 70.4 | Confident | 75.2 | Confident | 124 Ų | 124 | 77.6 Ų | 77.6 | 58% | 0.579 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -55.5 | -33.1 | 176.1 | -68.7 | -176.8 | -18.6 | 0 | 0 | 112.9 | V31 I32 I33 | Q29-V31 VanDerWaalsContact C-N 3.25Å; Q29-V31 PolarHBondContact O-N 2.72Å; Q29-I32 PolarHBondContact O-N 3.49Å; Q29-I33 PolarHBondContact O-N 3.02Å |
| 30 | Q | 76.3 | Confident | 76.3 | Confident | 89 Ų | 89 | 80 Ų | 80 | 42% | 0.416 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.8 | -30.9 | 175.9 | -66.3 | -177 | -4.3 | 0 | 0 | 113.3 | R28 I32 G34 | R28-Q30 PolarHBondContact O-N 2.8Å; R28-Q30 VanDerWaalsContact O-N 3.14Å; Q30-I32 VanDerWaalsContact C-N 3.34Å; Q30-G34 PolarHBondContact O-N 3.11Å |
| 31 | V | 79 | Confident | 77.2 | Confident | 22 Ų | 22 | 77.8 Ų | 77.8 | 13% | 0.133 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 176.3 | 177.1 | 0 | 0 | 0 | 0 | 110.2 | I22 R28 Q29 I33 G34 V35 V113 S117 | I22-V31 HydrophobicContact CD1-CG1 4.27Å; I22-V31 HydrophobicContact CG2-CB 4.28Å; I22-V31 HydrophobicContact CG2-CG1 4.42Å; R28-V31 HydrophobicContact CB-CG2 4.45Å; R28-V31 HydrophobicContact CG-CG2 4.22Å; R28-V31 VanDerWaalsContact O-CB 3.28Å; R28-V31 WeakPolarHBondContact O-CB 3.47Å; R28-V31 PolarHBondContact O-N 2.99Å; Q29-V31 VanDerWaalsContact C-N 3.25Å; Q29-V31 PolarHBondContact O-N 2.72Å; V31-I33 PolarHBondContact O-N 3.37Å; V31-G34 CarbonylContact O-C 3.59Å; V31-G34 WeakPolarHBondContact O-CA 3.04Å; V31-G34 PolarHBondContact O-N 3.27Å; V31-V35 HydrophobicContact CG1-CG2 4.25Å; V31-V35 WeakPolarHBondContact O-CG2 3.14Å; V31-V35 PolarHBondContact O-N 3.39Å; V31-V113 HydrophobicContact CG2-CG1 3.28Å; V31-S117 PolarHBondContact O-OG 3.21Å |
| 32 | I | 81.8 | Confident | 78.2 | Confident | 54 Ų | 54 | 72.6 Ų | 72.6 | 28% | 0.277 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.8 | -46.2 | -177 | -53.1 | -172.6 | 0 | 0 | 0 | 110.5 | L19 I22 K23 Q29 Q30 G34 V35 G36 | L19-I32 HydrophobicContact CD1-CB 4.14Å; L19-I32 HydrophobicContact CD1-CD1 3.53Å; L19-I32 HydrophobicContact CD1-CG1 3.44Å; L19-I32 VanDerWaalsContact CD1-CG1 3.44Å; L19-I32 HydrophobicContact CD1-CG2 3.92Å; L19-I32 HydrophobicContact CG-CD1 4.19Å; I22-I32 HydrophobicContact CG2-CG1 4.27Å; K23-I32 HydrophobicContact CB-CD1 4.41Å; Q29-I32 PolarHBondContact O-N 3.49Å; Q30-I32 VanDerWaalsContact C-N 3.34Å; I32-G34 VanDerWaalsContact C-N 3.3Å; I32-G34 PolarHBondContact O-N 2.94Å; I32-V35 PolarHBondContact O-N 3.25Å; I32-G36 PolarHBondContact O-N 2.94Å |
| 33 | I | 84.9 | Confident | 79.6 | Confident | 110 Ų | 110 | 76.7 Ų | 76.7 | 56% | 0.564 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64 | -40.5 | 177.1 | -56.9 | 171.9 | 0 | 0 | 0 | 109.7 | Q29 V31 S37 F114 | Q29-I33 PolarHBondContact O-N 3.02Å; V31-I33 PolarHBondContact O-N 3.37Å; I33-S37 VanDerWaalsContact O-CB 3.24Å; I33-S37 WeakPolarHBondContact O-CB 3.33Å; I33-S37 PolarHBondContact O-N 3Å; I33-S37 PolarHBondContact O-OG 3.42Å; I33-F114 HydrophobicContact CG2-CE2 4.19Å |
| 34 | G | 88.2 | Confident | 81 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.9 | -56.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q30 V31 I32 G36 S37 G38 F114 F118 | Q30-G34 PolarHBondContact O-N 3.11Å; V31-G34 CarbonylContact O-C 3.59Å; V31-G34 WeakPolarHBondContact O-CA 3.04Å; V31-G34 PolarHBondContact O-N 3.27Å; I32-G34 VanDerWaalsContact C-N 3.3Å; I32-G34 PolarHBondContact O-N 2.94Å; G34-G36 PolarHBondContact O-N 3.11Å; G34-S37 PolarHBondContact O-N 3.33Å; G34-S37 PolarHBondContact O-OG 3.07Å; G34-S37 VanDerWaalsContact O-OG 3.08Å; G34-G38 PolarHBondContact O-N 3.45Å; G34-F114 VanDerWaalsContact CA-CE2 3.42Å; G34-F118 VanDerWaalsContact O-CA 3.25Å; G34-F118 WeakPolarHBondContact O-CA 3.28Å |
| 35 | V | 89.1 | Confident | 82.4 | Confident | 51 Ų | 51 | 75.2 Ų | 75.2 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.2 | -48.7 | 178.6 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | V31 I32 G38 L39 | V31-V35 HydrophobicContact CG1-CG2 4.25Å; V31-V35 WeakPolarHBondContact O-CG2 3.14Å; V31-V35 PolarHBondContact O-N 3.39Å; I32-V35 PolarHBondContact O-N 3.25Å; V35-G38 PolarHBondContact O-N 3.38Å; V35-L39 HydrophobicContact CG1-CD1 3.97Å; V35-L39 HydrophobicContact CG1-CG 4.36Å; V35-L39 WeakPolarHBondContact O-CB 3.4Å; V35-L39 WeakPolarHBondContact O-CG 3.04Å; V35-L39 PolarHBondContact O-N 3.1Å |
| 36 | G | 90.8 | Very high | 84 | Confident | 40 Ų | 40 | 67.4 Ų | 67.4 | 41% | 0.412 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.5 | -46 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | I32 G34 G38 L39 L40 | I32-G36 PolarHBondContact O-N 2.94Å; G34-G36 PolarHBondContact O-N 3.11Å; G36-G38 VanDerWaalsContact C-N 3.35Å; G36-L39 PolarHBondContact O-N 3.33Å; G36-L40 PolarHBondContact O-N 2.79Å; G36-L40 VanDerWaalsContact O-N 3.12Å |
| 37 | S | 92.2 | Very high | 85.5 | Confident | 41 Ų | 41 | 68 Ų | 68 | 29% | 0.287 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.7 | -36.8 | 175.5 | 59.1 | 0 | 0 | 0 | 0 | 112.1 | I33 G34 L40 A41 F118 | I33-S37 VanDerWaalsContact O-CB 3.24Å; I33-S37 WeakPolarHBondContact O-CB 3.33Å; I33-S37 PolarHBondContact O-N 3Å; I33-S37 PolarHBondContact O-OG 3.42Å; G34-S37 PolarHBondContact O-N 3.33Å; G34-S37 PolarHBondContact O-OG 3.07Å; G34-S37 VanDerWaalsContact O-OG 3.08Å; S37-L40 PolarHBondContact O-N 2.95Å; S37-A41 WeakPolarHBondContact O-CB 3.34Å; S37-A41 PolarHBondContact O-N 2.59Å; S37-F118 WeakPolarHBondContact OG-CD2 3.48Å |
| 38 | G | 92.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | G34 V35 G36 L40 A41 G42 F118 F122 | G34-G38 PolarHBondContact O-N 3.45Å; V35-G38 PolarHBondContact O-N 3.38Å; G36-G38 VanDerWaalsContact C-N 3.35Å; G38-L40 PolarHBondContact O-N 2.78Å; G38-A41 PolarHBondContact O-N 2.86Å; G38-G42 PolarHBondContact O-N 3.09Å; G38-F118 VanDerWaalsContact CA-CE2 3.49Å; G38-F118 WeakPolarHBondContact CA-O 3.2Å; G38-F118 VanDerWaalsContact N-CD2 3.33Å; G38-F122 WeakPolarHBondContact O-CA 3.21Å; G38-F122 PolarHBondContact O-N 3.22Å |
| 39 | L | 93.2 | Very high | 88.9 | Confident | 69 Ų | 69 | 63.1 Ų | 63.1 | 36% | 0.361 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60 | -47.5 | 177.7 | -78.2 | 170 | 0 | 0 | 0 | 111.6 | V35 G36 G42 Y43 G121 I124 A125 | V35-L39 HydrophobicContact CG1-CD1 3.97Å; V35-L39 HydrophobicContact CG1-CG 4.36Å; V35-L39 WeakPolarHBondContact O-CB 3.4Å; V35-L39 WeakPolarHBondContact O-CG 3.04Å; V35-L39 PolarHBondContact O-N 3.1Å; G36-L39 PolarHBondContact O-N 3.33Å; L39-G42 PolarHBondContact O-N 3.41Å; L39-Y43 WeakPolarHBondContact O-CB 3.22Å; L39-Y43 PolarHBondContact O-N 3.28Å; L39-G121 WeakPolarHBondContact CD2-O 3.24Å; L39-I124 HydrophobicContact CD2-CB 4.22Å; L39-I124 HydrophobicContact CD2-CG2 3.91Å; L39-A125 HydrophobicContact CB-CB 4.47Å; L39-A125 HydrophobicContact CD2-CB 3.93Å; L39-A125 WeakPolarHBondContact O-CB 3.48Å |
| 40 | L | 93.5 | Very high | 89.8 | Confident | 114 Ų | 114 | 62.8 Ų | 62.8 | 60% | 0.597 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.5 | -47.7 | 178.3 | -179.7 | 61 | 0 | 0 | 0 | 111.8 | G36 S37 G38 G42 Y43 I44 | G36-L40 PolarHBondContact O-N 2.79Å; G36-L40 VanDerWaalsContact O-N 3.12Å; S37-L40 PolarHBondContact O-N 2.95Å; G38-L40 PolarHBondContact O-N 2.78Å; L40-G42 VanDerWaalsContact C-N 3.34Å; L40-G42 PolarHBondContact O-N 2.68Å; L40-Y43 PolarHBondContact O-N 3.11Å; L40-I44 HydrophobicContact CD1-CD1 4.14Å; L40-I44 HydrophobicContact CG-CD1 4.13Å; L40-I44 WeakPolarHBondContact O-CG1 3.4Å; L40-I44 PolarHBondContact O-N 3.43Å; L40-I44 VanDerWaalsContact O-N 3.15Å |
| 41 | A | 94.4 | Very high | 90.5 | Very high | 35 Ų | 35 | 60.9 Ų | 60.9 | 29% | 0.289 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62 | -42.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S37 G38 I44 F45 F118 F122 | S37-A41 WeakPolarHBondContact O-CB 3.34Å; S37-A41 PolarHBondContact O-N 2.59Å; G38-A41 PolarHBondContact O-N 2.86Å; A41-I44 PolarHBondContact O-N 2.87Å; A41-F45 VanDerWaalsContact O-CB 3.25Å; A41-F45 WeakPolarHBondContact O-CB 3.34Å; A41-F45 PolarHBondContact O-N 2.77Å; A41-F118 HydrophobicContact CB-CE2 3.97Å; A41-F118 HydrophobicContact CB-CZ 3.87Å; A41-F122 HydrophobicContact CB-CD2 4.36Å |
| 42 | G | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.9 | -36.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G38 L39 L40 F45 A46 | G38-G42 PolarHBondContact O-N 3.09Å; L39-G42 PolarHBondContact O-N 3.41Å; L40-G42 VanDerWaalsContact C-N 3.34Å; L40-G42 PolarHBondContact O-N 2.68Å; G42-F45 PolarHBondContact O-N 3.18Å; G42-A46 VanDerWaalsContact O-CB 3.26Å; G42-A46 WeakPolarHBondContact O-CB 3.45Å; G42-A46 PolarHBondContact O-N 3.41Å |
| 43 | Y | 92.8 | Very high | 91.9 | Very high | 112 Ų | 112 | 62.2 Ų | 62.2 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65 | -45.7 | 175.1 | -177.9 | -100.8 | 0 | 0 | 0 | 112 | L39 L40 A46 K47 A129 | L39-Y43 WeakPolarHBondContact O-CB 3.22Å; L39-Y43 PolarHBondContact O-N 3.28Å; L40-Y43 PolarHBondContact O-N 3.11Å; Y43-A46 PolarHBondContact O-N 2.92Å; Y43-K47 HydrophobicContact CE1-CD 3.97Å; Y43-K47 PolarHBondContact O-N 3.16Å; Y43-K47 VanDerWaalsContact O-N 3.07Å; Y43-K47 WeakPolarHBondContact OH-CE 3.41Å; Y43-K47 PolarHBondContact OH-NZ 3.03Å; Y43-A129 HydrophobicContact CD2-CB 4.17Å |
| 44 | I | 94.6 | Very high | 92.3 | Very high | 84 Ų | 84 | 63.2 Ų | 63.2 | 43% | 0.431 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 175.8 | -64.7 | 164.9 | 0 | 0 | 0 | 110.1 | L40 A41 A46 K47 I48 | L40-I44 HydrophobicContact CD1-CD1 4.14Å; L40-I44 HydrophobicContact CG-CD1 4.13Å; L40-I44 WeakPolarHBondContact O-CG1 3.4Å; L40-I44 PolarHBondContact O-N 3.43Å; L40-I44 VanDerWaalsContact O-N 3.15Å; A41-I44 PolarHBondContact O-N 2.87Å; I44-A46 VanDerWaalsContact C-N 3.33Å; I44-A46 PolarHBondContact O-N 3.35Å; I44-K47 PolarHBondContact O-N 2.9Å; I44-I48 HydrophobicContact CG2-CD1 3.71Å; I44-I48 HydrophobicContact CG2-CG1 4.47Å; I44-I48 WeakPolarHBondContact O-CG1 3.24Å; I44-I48 PolarHBondContact O-N 3.01Å |
| 45 | F | 93.9 | Very high | 92.6 | Very high | 116 Ų | 116 | 69.5 Ų | 69.5 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 177.5 | -177.7 | -92.8 | 0 | 0 | 0 | 111.8 | A41 G42 G49 F122 I126 | A41-F45 VanDerWaalsContact O-CB 3.25Å; A41-F45 WeakPolarHBondContact O-CB 3.34Å; A41-F45 PolarHBondContact O-N 2.77Å; G42-F45 PolarHBondContact O-N 3.18Å; F45-G49 WeakPolarHBondContact O-CA 3.47Å; F45-G49 PolarHBondContact O-N 3.39Å; F45-F122 HydrophobicContact CB-CE2 3.8Å; F45-F122 HydrophobicContact CB-CZ 4.18Å; F45-F122 HydrophobicContact CD1-CE2 4.27Å; F45-F122 AromaticContact CD1-CZ 3.79Å; F45-F122 HydrophobicContact CD1-CZ 3.79Å; F45-F122 HydrophobicContact CD2-CZ 4.35Å; F45-F122 HydrophobicContact CE1-CZ 4.26Å; F45-F122 AromaticContact CG-CE2 3.97Å; F45-F122 HydrophobicContact CG-CE2 3.97Å; F45-F122 AromaticContact CG-CZ 3.83Å; F45-F122 HydrophobicContact CG-CZ 3.83Å; F45-I126 HydrophobicContact CD1-CD1 3.61Å; F45-I126 HydrophobicContact CD1-CG1 4.17Å; F45-I126 HydrophobicContact CE1-CD1 4.04Å |
| 46 | A | 92 | Very high | 92.9 | Very high | 4 Ų | 4 | 73.1 Ų | 73.1 | 3% | 0.033 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.2 | -43.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G42 Y43 I44 R50 I126 A129 | G42-A46 VanDerWaalsContact O-CB 3.26Å; G42-A46 WeakPolarHBondContact O-CB 3.45Å; G42-A46 PolarHBondContact O-N 3.41Å; Y43-A46 PolarHBondContact O-N 2.92Å; I44-A46 VanDerWaalsContact C-N 3.33Å; I44-A46 PolarHBondContact O-N 3.35Å; A46-R50 WeakPolarHBondContact O-CB 3.37Å; A46-R50 WeakPolarHBondContact O-CD 3.3Å; A46-R50 WeakPolarHBondContact O-CG 3.48Å; A46-R50 PolarHBondContact O-N 3.17Å; A46-I126 HydrophobicContact CB-CG1 4.4Å; A46-A129 HydrophobicContact CB-CB 3.18Å |
| 47 | K | 89.8 | Confident | 93 | Very high | 127 Ų | 127 | 72.7 Ų | 72.7 | 55% | 0.552 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.8 | -55.3 | 176.6 | -80.7 | -168.7 | 172.7 | 179.4 | 0 | 112.6 | Y43 I44 A51 | Y43-K47 HydrophobicContact CE1-CD 3.97Å; Y43-K47 PolarHBondContact O-N 3.16Å; Y43-K47 VanDerWaalsContact O-N 3.07Å; Y43-K47 WeakPolarHBondContact OH-CE 3.41Å; Y43-K47 PolarHBondContact OH-NZ 3.03Å; I44-K47 PolarHBondContact O-N 2.9Å; K47-A51 PolarHBondContact O-N 3.47Å |
| 48 | I | 91.6 | Very high | 93.1 | Very high | 114 Ų | 114 | 72.4 Ų | 72.4 | 59% | 0.585 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -74.8 | -42.9 | -174.7 | -58.8 | 175.2 | 0 | 0 | 0 | 110.2 | I44 A51 A52 | I44-I48 HydrophobicContact CG2-CD1 3.71Å; I44-I48 HydrophobicContact CG2-CG1 4.47Å; I44-I48 WeakPolarHBondContact O-CG1 3.24Å; I44-I48 PolarHBondContact O-N 3.01Å; I48-A51 PolarHBondContact O-N 3.18Å; I48-A52 WeakPolarHBondContact O-CB 3.44Å; I48-A52 PolarHBondContact O-N 3.44Å |
| 49 | G | 91 | Very high | 93.1 | Very high | 20 Ų | 20 | 75.7 Ų | 75.7 | 21% | 0.206 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -67.7 | -37.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F45 A52 A53 | F45-G49 WeakPolarHBondContact O-CA 3.47Å; F45-G49 PolarHBondContact O-N 3.39Å; G49-A52 PolarHBondContact O-N 3.36Å; G49-A53 WeakPolarHBondContact O-CB 3.46Å; G49-A53 PolarHBondContact O-N 3.12Å |
| 50 | R | 89.3 | Confident | 93 | Very high | 117 Ų | 117 | 77.1 Ų | 77.1 | 44% | 0.442 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 172 | -73.8 | 173 | -178.8 | -172.6 | 3.4 | 111.5 | A46 A53 L54 I126 A129 | A46-R50 WeakPolarHBondContact O-CB 3.37Å; A46-R50 WeakPolarHBondContact O-CD 3.3Å; A46-R50 WeakPolarHBondContact O-CG 3.48Å; A46-R50 PolarHBondContact O-N 3.17Å; R50-A53 PolarHBondContact O-N 3.18Å; R50-L54 WeakPolarHBondContact O-CB 3.09Å; R50-L54 VanDerWaalsContact O-CG 3.26Å; R50-L54 WeakPolarHBondContact O-CG 3.36Å; R50-L54 PolarHBondContact O-N 2.99Å; R50-I126 PolarHBondContact NH2-O 2.87Å; R50-I126 VanDerWaalsContact NH2-O 3.09Å; R50-A129 VanDerWaalsContact CZ-C 3.45Å; R50-A129 PolarHBondContact NH1-O 3Å; R50-A129 PolarHBondContact NH1-OXT 3.28Å; R50-A129 PolarHBondContact NH2-OXT 3.01Å |
| 51 | A | 92.7 | Very high | 92.9 | Very high | 48 Ų | 48 | 76.8 Ų | 76.8 | 40% | 0.397 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K47 I48 A53 L54 L55 | K47-A51 PolarHBondContact O-N 3.47Å; I48-A51 PolarHBondContact O-N 3.18Å; A51-A53 PolarHBondContact O-N 2.86Å; A51-L54 PolarHBondContact O-N 3.15Å; A51-L55 VanDerWaalsContact O-CG 3.31Å; A51-L55 WeakPolarHBondContact O-CG 3.38Å; A51-L55 PolarHBondContact O-N 2.89Å |
| 52 | A | 95.1 | Very high | 92.5 | Very high | 42 Ų | 42 | 77.9 Ų | 77.9 | 35% | 0.347 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I48 G49 L55 L56 | I48-A52 WeakPolarHBondContact O-CB 3.44Å; I48-A52 PolarHBondContact O-N 3.44Å; G49-A52 PolarHBondContact O-N 3.36Å; A52-L55 PolarHBondContact O-N 3.41Å; A52-L56 WeakPolarHBondContact O-CB 3.25Å; A52-L56 VanDerWaalsContact O-CG 3.3Å; A52-L56 WeakPolarHBondContact O-CG 3.26Å; A52-L56 PolarHBondContact O-N 3.49Å |
| 53 | A | 93.1 | Very high | 92.2 | Very high | 62 Ų | 62 | 81.2 Ų | 81.2 | 51% | 0.512 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | G49 R50 A51 G57 | G49-A53 WeakPolarHBondContact O-CB 3.46Å; G49-A53 PolarHBondContact O-N 3.12Å; R50-A53 PolarHBondContact O-N 3.18Å; A51-A53 PolarHBondContact O-N 2.86Å; A53-G57 WeakPolarHBondContact O-CA 3.32Å; A53-G57 PolarHBondContact O-N 3.44Å |
| 54 | L | 94.1 | Very high | 91.7 | Very high | 132 Ų | 132 | 81 Ų | 81 | 69% | 0.691 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64.1 | -40 | 174.1 | -74.3 | 173.5 | 0 | 0 | 0 | 111.8 | R50 A51 G58 | R50-L54 WeakPolarHBondContact O-CB 3.09Å; R50-L54 VanDerWaalsContact O-CG 3.26Å; R50-L54 WeakPolarHBondContact O-CG 3.36Å; R50-L54 PolarHBondContact O-N 2.99Å; A51-L54 PolarHBondContact O-N 3.15Å; L54-G58 VanDerWaalsContact O-CA 3.26Å; L54-G58 WeakPolarHBondContact O-CA 3.46Å; L54-G58 PolarHBondContact O-N 2.86Å |
| 55 | L | 95.3 | Very high | 91.1 | Very high | 132 Ų | 132 | 79.9 Ų | 79.9 | 69% | 0.691 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.4 | -49.6 | 176.4 | -71.9 | 171.9 | 0 | 0 | 0 | 111.6 | A51 A52 S59 | A51-L55 VanDerWaalsContact O-CG 3.31Å; A51-L55 WeakPolarHBondContact O-CG 3.38Å; A51-L55 PolarHBondContact O-N 2.89Å; A52-L55 PolarHBondContact O-N 3.41Å; L55-S59 WeakPolarHBondContact O-CB 3.47Å; L55-S59 PolarHBondContact O-N 3.45Å; L55-S59 PolarHBondContact O-OG 3.47Å |
| 56 | L | 94.5 | Very high | 90.6 | Very high | 126 Ų | 126 | 75.2 Ų | 75.2 | 66% | 0.66 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.9 | -49 | 179.7 | -67.7 | 176.1 | 0 | 0 | 0 | 111.2 | A52 S59 L60 | A52-L56 WeakPolarHBondContact O-CB 3.25Å; A52-L56 VanDerWaalsContact O-CG 3.3Å; A52-L56 WeakPolarHBondContact O-CG 3.26Å; A52-L56 PolarHBondContact O-N 3.49Å; L56-S59 PolarHBondContact O-N 2.9Å; L56-S59 PolarHBondContact O-OG 3.49Å; L56-L60 PolarHBondContact O-N 3.12Å; L56-L60 VanDerWaalsContact O-N 3.12Å |
| 57 | G | 93.4 | Very high | 89.9 | Confident | 32 Ų | 32 | 78.1 Ų | 78.1 | 33% | 0.33 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.8 | -45 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A53 S59 L60 I61 | A53-G57 WeakPolarHBondContact O-CA 3.32Å; A53-G57 PolarHBondContact O-N 3.44Å; G57-S59 VanDerWaalsContact C-N 3.35Å; G57-S59 PolarHBondContact O-N 3.48Å; G57-L60 WeakPolarHBondContact O-CB 3.23Å; G57-L60 PolarHBondContact O-N 3.36Å; G57-L60 VanDerWaalsContact O-N 3.17Å; G57-I61 WeakPolarHBondContact O-CG1 3.36Å; G57-I61 PolarHBondContact O-N 3.42Å |
| 58 | G | 94.6 | Very high | 89.4 | Confident | 34 Ų | 34 | 79.8 Ų | 79.8 | 35% | 0.351 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62 | -41.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | L54 L60 I61 A62 | L54-G58 VanDerWaalsContact O-CA 3.26Å; L54-G58 WeakPolarHBondContact O-CA 3.46Å; L54-G58 PolarHBondContact O-N 2.86Å; G58-L60 VanDerWaalsContact C-N 3.3Å; G58-L60 PolarHBondContact O-N 2.97Å; G58-I61 PolarHBondContact O-N 2.8Å; G58-A62 WeakPolarHBondContact O-CB 3.27Å; G58-A62 PolarHBondContact O-N 3.28Å |
| 59 | S | 92.5 | Very high | 88.3 | Confident | 70 Ų | 70 | 81.2 Ų | 81.2 | 49% | 0.49 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62 | -38.8 | 174.4 | 74 | 0 | 0 | 0 | 0 | 112.1 | L55 L56 G57 L63 | L55-S59 WeakPolarHBondContact O-CB 3.47Å; L55-S59 PolarHBondContact O-N 3.45Å; L55-S59 PolarHBondContact O-OG 3.47Å; L56-S59 PolarHBondContact O-N 2.9Å; L56-S59 PolarHBondContact O-OG 3.49Å; G57-S59 VanDerWaalsContact C-N 3.35Å; G57-S59 PolarHBondContact O-N 3.48Å; S59-L63 VanDerWaalsContact O-CB 3.29Å; S59-L63 WeakPolarHBondContact O-CB 3.15Å; S59-L63 PolarHBondContact O-N 3.35Å |
| 60 | L | 90.9 | Very high | 87.1 | Confident | 98 Ų | 98 | 85.9 Ų | 85.9 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.7 | -40.3 | 178.7 | -174.7 | 63.1 | 0 | 0 | 0 | 111.9 | L56 G57 G58 L63 Q64 | L56-L60 PolarHBondContact O-N 3.12Å; L56-L60 VanDerWaalsContact O-N 3.12Å; G57-L60 WeakPolarHBondContact O-CB 3.23Å; G57-L60 PolarHBondContact O-N 3.36Å; G57-L60 VanDerWaalsContact O-N 3.17Å; G58-L60 VanDerWaalsContact C-N 3.3Å; G58-L60 PolarHBondContact O-N 2.97Å; L60-L63 PolarHBondContact O-N 2.81Å; L60-Q64 WeakPolarHBondContact O-CG 3.42Å; L60-Q64 PolarHBondContact O-N 3.45Å; L60-Q64 VanDerWaalsContact O-N 3.13Å |
| 61 | I | 90.8 | Very high | 85.6 | Confident | 107 Ų | 107 | 85.5 Ų | 85.5 | 55% | 0.549 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66 | -48 | 176 | -65.6 | 167.3 | 0 | 0 | 0 | 110.4 | G57 G58 L63 Q64 C65 | G57-I61 WeakPolarHBondContact O-CG1 3.36Å; G57-I61 PolarHBondContact O-N 3.42Å; G58-I61 PolarHBondContact O-N 2.8Å; I61-L63 VanDerWaalsContact C-N 3.25Å; I61-L63 PolarHBondContact O-N 3.46Å; I61-Q64 PolarHBondContact O-N 2.89Å; I61-Q64 VanDerWaalsContact O-N 3.1Å; I61-C65 PolarHBondContact O-N 2.71Å; I61-C65 PolarHBondContact O-SG 3.45Å |
| 62 | A | 87.8 | Confident | 84.3 | Confident | 58 Ų | 58 | 87 Ų | 87 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.2 | -39.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G58 C65 A66 | G58-A62 WeakPolarHBondContact O-CB 3.27Å; G58-A62 PolarHBondContact O-N 3.28Å; A62-C65 PolarHBondContact O-N 3.12Å; A62-A66 WeakPolarHBondContact O-CB 3.38Å; A62-A66 PolarHBondContact O-N 2.93Å |
| 63 | L | 85.9 | Confident | 83.1 | Confident | 70 Ų | 70 | 92.5 Ų | 92.5 | 37% | 0.366 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 175.6 | -173.7 | 62.7 | 0 | 0 | 0 | 112.1 | S59 L60 I61 A66 V67 I74 | S59-L63 VanDerWaalsContact O-CB 3.29Å; S59-L63 WeakPolarHBondContact O-CB 3.15Å; S59-L63 PolarHBondContact O-N 3.35Å; L60-L63 PolarHBondContact O-N 2.81Å; I61-L63 VanDerWaalsContact C-N 3.25Å; I61-L63 PolarHBondContact O-N 3.46Å; L63-A66 PolarHBondContact O-N 2.77Å; L63-V67 WeakPolarHBondContact O-CG2 3.28Å; L63-V67 PolarHBondContact O-N 3.43Å; L63-V67 VanDerWaalsContact O-N 3.1Å; L63-I74 HydrophobicContact CD1-CD1 3.38Å; L63-I74 HydrophobicContact CD1-CG1 3.97Å; L63-I74 HydrophobicContact CD2-CD1 3.87Å; L63-I74 HydrophobicContact CG-CD1 3.49Å; L63-I74 VanDerWaalsContact CG-CD1 3.49Å |
| 64 | Q | 82.8 | Confident | 82 | Confident | 108 Ų | 108 | 91.5 Ų | 91.5 | 51% | 0.505 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 175.8 | -70.7 | 178 | 41.1 | 0 | 0 | 112.1 | L60 I61 A66 V67 Q68 | L60-Q64 WeakPolarHBondContact O-CG 3.42Å; L60-Q64 PolarHBondContact O-N 3.45Å; L60-Q64 VanDerWaalsContact O-N 3.13Å; I61-Q64 PolarHBondContact O-N 2.89Å; I61-Q64 VanDerWaalsContact O-N 3.1Å; Q64-A66 VanDerWaalsContact C-N 3.33Å; Q64-A66 PolarHBondContact O-N 2.6Å; Q64-V67 PolarHBondContact O-N 3.32Å; Q64-Q68 WeakPolarHBondContact O-CG 3.35Å; Q64-Q68 PolarHBondContact O-N 3.35Å |
| 65 | C | 82.6 | Confident | 81.2 | Confident | 61 Ų | 61 | 89.8 Ų | 89.8 | 41% | 0.412 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 175.1 | -67.2 | 0 | 0 | 0 | 0 | 111.8 | I61 A62 V67 Q68 Q69 | I61-C65 PolarHBondContact O-N 2.71Å; I61-C65 PolarHBondContact O-SG 3.45Å; A62-C65 PolarHBondContact O-N 3.12Å; C65-V67 VanDerWaalsContact C-N 3.33Å; C65-V67 PolarHBondContact O-N 2.92Å; C65-Q68 PolarHBondContact O-N 2.92Å; C65-Q69 WeakPolarHBondContact O-CG 3.32Å; C65-Q69 PolarHBondContact O-N 2.86Å |
| 66 | A | 82.5 | Confident | 80.6 | Confident | 17 Ų | 17 | 92 Ų | 92 | 14% | 0.14 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -66.9 | -32.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | A62 L63 Q64 V71 I72 | A62-A66 WeakPolarHBondContact O-CB 3.38Å; A62-A66 PolarHBondContact O-N 2.93Å; L63-A66 PolarHBondContact O-N 2.77Å; Q64-A66 VanDerWaalsContact C-N 3.33Å; Q64-A66 PolarHBondContact O-N 2.6Å; A66-V71 PolarHBondContact O-N 2.86Å; A66-I72 HydrophobicContact CB-CB 4.17Å; A66-I72 HydrophobicContact CB-CD1 3.59Å; A66-I72 HydrophobicContact CB-CG1 3.89Å; A66-I72 PolarHBondContact O-N 3.46Å |
| 67 | V | 78.2 | Confident | 80.1 | Confident | 65 Ų | 65 | 93.1 Ų | 93.1 | 39% | 0.394 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.7 | -44.7 | 172 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | L63 Q64 C65 Q69 D70 I74 | L63-V67 WeakPolarHBondContact O-CG2 3.28Å; L63-V67 PolarHBondContact O-N 3.43Å; L63-V67 VanDerWaalsContact O-N 3.1Å; Q64-V67 PolarHBondContact O-N 3.32Å; C65-V67 VanDerWaalsContact C-N 3.33Å; C65-V67 PolarHBondContact O-N 2.92Å; V67-Q69 VanDerWaalsContact C-N 3.3Å; V67-Q69 PolarHBondContact O-N 3.42Å; V67-D70 PolarHBondContact O-N 3.09Å; V67-D70 VanDerWaalsContact O-N 3.09Å; V67-I74 HydrophobicContact CG2-CD1 3.19Å; V67-I74 HydrophobicContact CG2-CG1 3.63Å |
| 68 | Q | 78.3 | Confident | 79.7 | Confident | 162 Ų | 162 | 99.4 Ų | 99.4 | 76% | 0.757 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.4 | -33.2 | 179.9 | -73.5 | -175.2 | 11.6 | 0 | 0 | 113.1 | Q64 C65 D70 | Q64-Q68 WeakPolarHBondContact O-CG 3.35Å; Q64-Q68 PolarHBondContact O-N 3.35Å; C65-Q68 PolarHBondContact O-N 2.92Å; Q68-D70 PolarHBondContact O-N 3.38Å |
| 69 | Q | 68.5 | Low | 79.1 | Confident | 145 Ų | 145 | 101.7 Ų | 101.7 | 68% | 0.678 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 1.9 | 175.8 | -70.3 | -176.7 | -25.4 | 0 | 0 | 113.2 | C65 V67 V71 | C65-Q69 WeakPolarHBondContact O-CG 3.32Å; C65-Q69 PolarHBondContact O-N 2.86Å; V67-Q69 VanDerWaalsContact C-N 3.3Å; V67-Q69 PolarHBondContact O-N 3.42Å; Q69-V71 HydrophobicContact CB-CG2 3.89Å; Q69-V71 WeakPolarHBondContact O-CG2 3.49Å; Q69-V71 PolarHBondContact O-N 2.91Å |
| 70 | D | 66.1 | Low | 78.8 | Confident | 117 Ų | 117 | 104.2 Ų | 104.2 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 9 | -174.6 | -157.5 | 54.5 | 0 | 0 | 0 | 114.2 | V67 Q68 I72 H73 | V67-D70 PolarHBondContact O-N 3.09Å; V67-D70 VanDerWaalsContact O-N 3.09Å; Q68-D70 PolarHBondContact O-N 3.38Å; D70-I72 VanDerWaalsContact C-N 3.34Å; D70-H73 IonicContact OD1-CE1 3.97Å |
| 71 | V | 59 | Low | 78.6 | Confident | 109 Ų | 109 | 105.7 Ų | 105.7 | 66% | 0.661 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -74.8 | -28.1 | -178.6 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | A66 Q69 | A66-V71 PolarHBondContact O-N 2.86Å; Q69-V71 HydrophobicContact CB-CG2 3.89Å; Q69-V71 WeakPolarHBondContact O-CG2 3.49Å; Q69-V71 PolarHBondContact O-N 2.91Å |
| 72 | I | 64.4 | Low | 78.4 | Confident | 81 Ų | 81 | 103 Ų | 103 | 42% | 0.415 | 51% | 0.514 | S | S | . | . | trans | -129 | 109.9 | -175.8 | -54.4 | -173.3 | 0 | 0 | 0 | 111.9 | A66 D70 I74 | A66-I72 HydrophobicContact CB-CB 4.17Å; A66-I72 HydrophobicContact CB-CD1 3.59Å; A66-I72 HydrophobicContact CB-CG1 3.89Å; A66-I72 PolarHBondContact O-N 3.46Å; D70-I72 VanDerWaalsContact C-N 3.34Å; I72-I74 HydrophobicContact CG2-CG1 4.31Å; I72-I74 PolarHBondContact O-N 2.81Å | ||
| 73 | H | 69 | Low | 78.1 | Confident | 157 Ų | 157 | 102 Ų | 102 | 73% | 0.727 | 51% | 0.511 | S | S | * | . | trans | -78.4 | 99.7 | 167.7 | -71.3 | 76.7 | 0 | 0 | 0 | 110.1 | D70 N75 | D70-H73 IonicContact OD1-CE1 3.97Å; H73-N75 PolarHBondContact O-N 3.44Å | ||
| 74 | I | 70 | Confident | 77.9 | Confident | 40 Ų | 40 | 102.6 Ų | 102.6 | 21% | 0.205 | 51% | 0.514 | C | S | . | . | trans | -72.5 | 114.7 | 175.7 | -59.8 | 175.8 | 0 | 0 | 0 | 109.7 | L63 V67 I72 W76 | L63-I74 HydrophobicContact CD1-CD1 3.38Å; L63-I74 HydrophobicContact CD1-CG1 3.97Å; L63-I74 HydrophobicContact CD2-CD1 3.87Å; L63-I74 HydrophobicContact CG-CD1 3.49Å; L63-I74 VanDerWaalsContact CG-CD1 3.49Å; V67-I74 HydrophobicContact CG2-CD1 3.19Å; V67-I74 HydrophobicContact CG2-CG1 3.63Å; I72-I74 HydrophobicContact CG2-CG1 4.31Å; I72-I74 PolarHBondContact O-N 2.81Å; I74-W76 HydrophobicContact CD1-CZ2 4.26Å; I74-W76 HydrophobicContact CG2-CD2 3.96Å; I74-W76 HydrophobicContact CG2-CE3 4.37Å; I74-W76 HydrophobicContact CG2-CG 4.3Å; I74-W76 HydrophobicContact CG2-CZ2 4.22Å; I74-W76 PolarHBondContact O-N 3.31Å | ||
| 75 | N | 79 | Confident | 77.8 | Confident | 97 Ų | 97 | 106.4 Ų | 106.4 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | trans | -78.6 | 85 | 170.8 | -166.3 | -37 | 0 | 0 | 0 | 110.4 | H73 R77 K78 | H73-N75 PolarHBondContact O-N 3.44Å; N75-R77 PolarHBondContact O-N 2.92Å; N75-R77 VanDerWaalsContact O-N 3.11Å; N75-R77 VanDerWaalsContact OD1-CB 3.27Å; N75-R77 WeakPolarHBondContact OD1-CB 3.24Å; N75-R77 PolarHBondContact OD1-N 3.44Å; N75-K78 HydrophobicContact CB-CB 4.48Å; N75-K78 WeakPolarHBondContact O-CB 3.2Å; N75-K78 PolarHBondContact O-N 2.79Å; N75-K78 PolarHBondContact OD1-N 3.48Å | ||
| 76 | W | 81.4 | Confident | 77.5 | Confident | 177 Ų | 177 | 109.4 Ų | 109.4 | 67% | 0.67 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -53.3 | -30.2 | 177.6 | -69.2 | 106.9 | 0 | 0 | 0 | 113.6 | I74 K78 V79 E80 | I74-W76 HydrophobicContact CD1-CZ2 4.26Å; I74-W76 HydrophobicContact CG2-CD2 3.96Å; I74-W76 HydrophobicContact CG2-CE3 4.37Å; I74-W76 HydrophobicContact CG2-CG 4.3Å; I74-W76 HydrophobicContact CG2-CZ2 4.22Å; I74-W76 PolarHBondContact O-N 3.31Å; W76-K78 PolarHBondContact O-N 3.43Å; W76-V79 HydrophobicContact CE3-CB 4.49Å; W76-V79 HydrophobicContact CE3-CG2 4.49Å; W76-V79 WeakPolarHBondContact O-CB 3.5Å; W76-V79 PolarHBondContact O-N 3.39Å; W76-V79 VanDerWaalsContact O-N 3.1Å; W76-E80 PolarHBondContact O-N 2.84Å |
| 77 | R | 84 | Confident | 77.1 | Confident | 151 Ų | 151 | 115.8 Ų | 115.8 | 57% | 0.57 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.8 | -29 | 176.9 | -162.4 | -177.8 | 67.6 | 143 | -1 | 112.7 | N75 R81 | N75-R77 PolarHBondContact O-N 2.92Å; N75-R77 VanDerWaalsContact O-N 3.11Å; N75-R77 VanDerWaalsContact OD1-CB 3.27Å; N75-R77 WeakPolarHBondContact OD1-CB 3.24Å; N75-R77 PolarHBondContact OD1-N 3.44Å; R77-R81 WeakPolarHBondContact O-CB 3.21Å; R77-R81 WeakPolarHBondContact O-CD 3.49Å; R77-R81 VanDerWaalsContact O-CG 3.24Å; R77-R81 WeakPolarHBondContact O-CG 3.31Å; R77-R81 PolarHBondContact O-N 3.41Å |
| 78 | K | 84.6 | Confident | 76.6 | Confident | 164 Ų | 164 | 116.6 Ų | 116.6 | 71% | 0.713 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -74.7 | -37.4 | 174.7 | -167 | 175.1 | -178.9 | -179 | 0 | 111.2 | N75 W76 A82 | N75-K78 HydrophobicContact CB-CB 4.48Å; N75-K78 WeakPolarHBondContact O-CB 3.2Å; N75-K78 PolarHBondContact O-N 2.79Å; N75-K78 PolarHBondContact OD1-N 3.48Å; W76-K78 PolarHBondContact O-N 3.43Å; K78-A82 WeakPolarHBondContact O-CB 3.39Å; K78-A82 PolarHBondContact O-N 3.46Å; K78-A82 VanDerWaalsContact O-N 3.11Å |
| 79 | V | 83.4 | Confident | 75.9 | Confident | 81 Ų | 81 | 114.8 Ų | 114.8 | 49% | 0.491 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.7 | -48.4 | 176.1 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | W76 R81 A82 G83 | W76-V79 HydrophobicContact CE3-CB 4.49Å; W76-V79 HydrophobicContact CE3-CG2 4.49Å; W76-V79 WeakPolarHBondContact O-CB 3.5Å; W76-V79 PolarHBondContact O-N 3.39Å; W76-V79 VanDerWaalsContact O-N 3.1Å; V79-R81 PolarHBondContact O-N 2.99Å; V79-A82 WeakPolarHBondContact O-CB 3.25Å; V79-A82 PolarHBondContact O-N 3Å; V79-A82 VanDerWaalsContact O-N 3.12Å; V79-G83 PolarHBondContact O-N 3.38Å |
| 80 | E | 85.8 | Confident | 75.7 | Confident | 123 Ų | 123 | 109.8 Ų | 109.8 | 58% | 0.575 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -58.6 | -50.3 | 178.3 | -170.7 | 62.3 | -159.1 | 0 | 0 | 111.7 | W76 A82 G83 D84 | W76-E80 PolarHBondContact O-N 2.84Å; E80-A82 PolarHBondContact O-N 2.74Å; E80-G83 WeakPolarHBondContact O-CA 3.17Å; E80-G83 PolarHBondContact O-N 2.96Å; E80-D84 PolarHBondContact O-N 3.28Å |
| 81 | R | 87.3 | Confident | 75.6 | Confident | 129 Ų | 129 | 108 Ų | 108 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.1 | -30.4 | 177.7 | -74.6 | 173.7 | 176.8 | -179 | -5 | 113.2 | R77 V79 R85 | R77-R81 WeakPolarHBondContact O-CB 3.21Å; R77-R81 WeakPolarHBondContact O-CD 3.49Å; R77-R81 VanDerWaalsContact O-CG 3.24Å; R77-R81 WeakPolarHBondContact O-CG 3.31Å; R77-R81 PolarHBondContact O-N 3.41Å; V79-R81 PolarHBondContact O-N 2.99Å; R81-R85 WeakPolarHBondContact O-CG 3.2Å; R81-R85 PolarHBondContact O-N 3.36Å |
| 82 | A | 84.9 | Confident | 76 | Confident | 50 Ų | 50 | 107.8 Ų | 107.8 | 41% | 0.413 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71.2 | -43.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | K78 V79 E80 R85 I86 | K78-A82 WeakPolarHBondContact O-CB 3.39Å; K78-A82 PolarHBondContact O-N 3.46Å; K78-A82 VanDerWaalsContact O-N 3.11Å; V79-A82 WeakPolarHBondContact O-CB 3.25Å; V79-A82 PolarHBondContact O-N 3Å; V79-A82 VanDerWaalsContact O-N 3.12Å; E80-A82 PolarHBondContact O-N 2.74Å; A82-R85 PolarHBondContact O-N 3.18Å; A82-I86 WeakPolarHBondContact O-CD1 3.46Å; A82-I86 VanDerWaalsContact O-CG1 3.3Å; A82-I86 WeakPolarHBondContact O-CG1 3.37Å; A82-I86 PolarHBondContact O-N 2.81Å |
| 83 | G | 82.3 | Confident | 76.3 | Confident | 39 Ų | 39 | 108 Ų | 108 | 40% | 0.402 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.4 | -48.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V79 E80 R85 I86 Q87 | V79-G83 PolarHBondContact O-N 3.38Å; E80-G83 WeakPolarHBondContact O-CA 3.17Å; E80-G83 PolarHBondContact O-N 2.96Å; G83-R85 VanDerWaalsContact C-N 3.34Å; G83-R85 PolarHBondContact O-N 3.37Å; G83-I86 WeakPolarHBondContact O-CB 3.34Å; G83-I86 PolarHBondContact O-N 3.33Å; G83-I86 VanDerWaalsContact O-N 3.09Å; G83-Q87 PolarHBondContact O-N 3.08Å |
| 84 | D | 82.2 | Confident | 76.6 | Confident | 82 Ų | 82 | 107 Ų | 107 | 44% | 0.439 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 178.4 | -82.7 | -12.6 | 0 | 0 | 0 | 112.8 | E80 I86 Q87 S88 | E80-D84 PolarHBondContact O-N 3.28Å; D84-I86 VanDerWaalsContact C-N 3.28Å; D84-I86 PolarHBondContact O-N 3.19Å; D84-Q87 PolarHBondContact O-N 3.46Å; D84-S88 VanDerWaalsContact O-CB 3.27Å; D84-S88 WeakPolarHBondContact O-CB 3.5Å; D84-S88 PolarHBondContact O-N 2.67Å; D84-S88 PolarHBondContact O-OG 3.48Å |
| 85 | R | 79.6 | Confident | 76.9 | Confident | 188 Ų | 188 | 112 Ų | 112 | 71% | 0.709 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.8 | -34.5 | 176.3 | -79.2 | -179.4 | -173.7 | -127 | 1.1 | 112.2 | R81 A82 G83 S88 N89 | R81-R85 WeakPolarHBondContact O-CG 3.2Å; R81-R85 PolarHBondContact O-N 3.36Å; A82-R85 PolarHBondContact O-N 3.18Å; G83-R85 VanDerWaalsContact C-N 3.34Å; G83-R85 PolarHBondContact O-N 3.37Å; R85-S88 PolarHBondContact O-OG 2.7Å; R85-N89 PolarHBondContact O-ND2 2.9Å |
| 86 | I | 77.3 | Confident | 77 | Confident | 124 Ų | 124 | 109.2 Ų | 109.2 | 64% | 0.636 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -72.2 | -40.6 | 176.5 | -64.6 | 163.7 | 0 | 0 | 0 | 110.1 | A82 G83 D84 T90 | A82-I86 WeakPolarHBondContact O-CD1 3.46Å; A82-I86 VanDerWaalsContact O-CG1 3.3Å; A82-I86 WeakPolarHBondContact O-CG1 3.37Å; A82-I86 PolarHBondContact O-N 2.81Å; G83-I86 WeakPolarHBondContact O-CB 3.34Å; G83-I86 PolarHBondContact O-N 3.33Å; G83-I86 VanDerWaalsContact O-N 3.09Å; D84-I86 VanDerWaalsContact C-N 3.28Å; D84-I86 PolarHBondContact O-N 3.19Å; I86-T90 WeakPolarHBondContact O-CB 3.27Å; I86-T90 PolarHBondContact O-OG1 2.66Å |
| 87 | Q | 73.1 | Confident | 77.1 | Confident | 151 Ų | 151 | 107.1 Ų | 107.1 | 71% | 0.706 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -74.2 | -42.7 | -179 | -171.8 | 175.7 | 78.6 | 0 | 0 | 113.1 | G83 D84 N89 T90 | G83-Q87 PolarHBondContact O-N 3.08Å; D84-Q87 PolarHBondContact O-N 3.46Å; Q87-N89 VanDerWaalsContact C-N 3.35Å; Q87-N89 PolarHBondContact O-N 3.2Å; Q87-T90 WeakPolarHBondContact O-CB 3.38Å; Q87-T90 PolarHBondContact O-N 3.49Å |
| 88 | S | 68.6 | Low | 77.2 | Confident | 82 Ų | 82 | 108.2 Ų | 108.2 | 57% | 0.573 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.3 | -31.5 | -175.2 | 52.3 | 0 | 0 | 0 | 0 | 114.2 | D84 R85 T90 | D84-S88 VanDerWaalsContact O-CB 3.27Å; D84-S88 WeakPolarHBondContact O-CB 3.5Å; D84-S88 PolarHBondContact O-N 2.67Å; D84-S88 PolarHBondContact O-OG 3.48Å; R85-S88 PolarHBondContact O-OG 2.7Å; S88-T90 PolarHBondContact O-N 2.81Å |
| 89 | N | 64 | Low | 77.5 | Confident | 124 Ų | 124 | 103.4 Ų | 103.4 | 66% | 0.663 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 7.6 | 178.3 | -71.1 | -66.7 | 0 | 0 | 0 | 114 | R85 Q87 | R85-N89 PolarHBondContact O-ND2 2.9Å; Q87-N89 VanDerWaalsContact C-N 3.35Å; Q87-N89 PolarHBondContact O-N 3.2Å |
| 90 | T | 63.9 | Low | 77.7 | Confident | 39 Ų | 39 | 104.3 Ų | 104.3 | 24% | 0.239 | 54% | 0.542 | C | S | . | . | trans | -118.3 | 25.9 | -164.2 | -60.5 | 0 | 0 | 0 | 0 | 113.6 | I86 Q87 S88 V92 I93 F94 | I86-T90 WeakPolarHBondContact O-CB 3.27Å; I86-T90 PolarHBondContact O-OG1 2.66Å; Q87-T90 WeakPolarHBondContact O-CB 3.38Å; Q87-T90 PolarHBondContact O-N 3.49Å; S88-T90 PolarHBondContact O-N 2.81Å; T90-V92 PolarHBondContact O-N 3.35Å; T90-I93 HydrophobicContact CG2-CB 3.27Å; T90-I93 HydrophobicContact CG2-CD1 4.13Å; T90-I93 HydrophobicContact CG2-CG1 3.89Å; T90-I93 HydrophobicContact CG2-CG2 3.46Å; T90-I93 VanDerWaalsContact CG2-CG2 3.46Å; T90-I93 PolarHBondContact O-N 3.2Å; T90-I93 VanDerWaalsContact O-N 3.15Å; T90-F94 PolarHBondContact O-N 2.91Å | ||
| 91 | P | 63.6 | Low | 78 | Confident | 79 Ų | 79 | 104.7 Ų | 104.7 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 175.6 | 25.8 | -31.1 | 0 | 0 | 0 | 111.6 | I93 F94 E95 | P91-I93 PolarHBondContact O-N 3.43Å; P91-F94 PolarHBondContact O-N 3.37Å; P91-E95 PolarHBondContact O-N 3.32Å |
| 92 | V | 68 | Low | 78.3 | Confident | 106 Ų | 106 | 103.7 Ų | 103.7 | 64% | 0.642 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59.5 | -33.2 | 173.7 | -66.4 | 0 | 0 | 0 | 0 | 112.6 | T90 G96 | T90-V92 PolarHBondContact O-N 3.35Å; V92-G96 PolarHBondContact O-N 3.12Å |
| 93 | I | 71.3 | Confident | 78.7 | Confident | 86 Ų | 86 | 108.3 Ų | 108.3 | 44% | 0.441 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -78.9 | -30.8 | 176.5 | -60.4 | -151.8 | 0 | 0 | 0 | 110.5 | T90 P91 K97 | T90-I93 HydrophobicContact CG2-CB 3.27Å; T90-I93 HydrophobicContact CG2-CD1 4.13Å; T90-I93 HydrophobicContact CG2-CG1 3.89Å; T90-I93 HydrophobicContact CG2-CG2 3.46Å; T90-I93 VanDerWaalsContact CG2-CG2 3.46Å; T90-I93 PolarHBondContact O-N 3.2Å; T90-I93 VanDerWaalsContact O-N 3.15Å; P91-I93 PolarHBondContact O-N 3.43Å; I93-K97 HydrophobicContact CG2-CD 4.23Å; I93-K97 HydrophobicContact CG2-CG 4.21Å; I93-K97 WeakPolarHBondContact O-CA 3.22Å; I93-K97 WeakPolarHBondContact O-CB 3.25Å; I93-K97 WeakPolarHBondContact O-CG 3.39Å; I93-K97 PolarHBondContact O-N 2.78Å |
| 94 | F | 73.7 | Confident | 79.2 | Confident | 136 Ų | 136 | 110.5 Ų | 110.5 | 60% | 0.596 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69.1 | -45.2 | 176.4 | -153.4 | -91.4 | 0 | 0 | 0 | 111.5 | T90 P91 K97 R98 | T90-F94 PolarHBondContact O-N 2.91Å; P91-F94 PolarHBondContact O-N 3.37Å; F94-K97 WeakPolarHBondContact O-CB 3.38Å; F94-K97 PolarHBondContact O-N 3.34Å; F94-R98 PolarHBondContact O-N 3.34Å |
| 95 | E | 77.8 | Confident | 79.8 | Confident | 145 Ų | 145 | 109.9 Ų | 109.9 | 68% | 0.678 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.9 | -46.7 | 171.9 | -71.5 | -169.6 | 104.3 | 0 | 0 | 111.5 | P91 K97 R98 A99 | P91-E95 PolarHBondContact O-N 3.32Å; E95-K97 VanDerWaalsContact C-N 3.27Å; E95-K97 PolarHBondContact O-N 3.04Å; E95-R98 WeakPolarHBondContact O-CB 3.25Å; E95-R98 PolarHBondContact O-N 2.74Å; E95-R98 VanDerWaalsContact O-N 3.08Å; E95-A99 PolarHBondContact O-N 2.93Å |
| 96 | G | 80.6 | Confident | 80.6 | Confident | 38 Ų | 38 | 106.9 Ų | 106.9 | 39% | 0.392 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -57.8 | -37.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V92 A99 L100 | V92-G96 PolarHBondContact O-N 3.12Å; G96-A99 PolarHBondContact O-N 2.85Å; G96-L100 WeakPolarHBondContact O-CB 3.22Å; G96-L100 PolarHBondContact O-N 2.85Å |
| 97 | K | 84 | Confident | 81.3 | Confident | 132 Ų | 132 | 103.3 Ų | 103.3 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.4 | -40.6 | 174.3 | -86.1 | -177.7 | -177.2 | -160.9 | 0 | 112 | I93 F94 E95 K101 | I93-K97 HydrophobicContact CG2-CD 4.23Å; I93-K97 HydrophobicContact CG2-CG 4.21Å; I93-K97 WeakPolarHBondContact O-CA 3.22Å; I93-K97 WeakPolarHBondContact O-CB 3.25Å; I93-K97 WeakPolarHBondContact O-CG 3.39Å; I93-K97 PolarHBondContact O-N 2.78Å; F94-K97 WeakPolarHBondContact O-CB 3.38Å; F94-K97 PolarHBondContact O-N 3.34Å; E95-K97 VanDerWaalsContact C-N 3.27Å; E95-K97 PolarHBondContact O-N 3.04Å; K97-K101 WeakPolarHBondContact O-CB 3.4Å; K97-K101 PolarHBondContact O-N 2.94Å |
| 98 | R | 86.2 | Confident | 82.2 | Confident | 174 Ų | 174 | 99.5 Ų | 99.5 | 66% | 0.657 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.9 | -48.1 | 174.8 | -84.7 | -178.4 | 151 | 171.4 | -5.1 | 111.1 | F94 E95 L100 K101 N102 | F94-R98 PolarHBondContact O-N 3.34Å; E95-R98 WeakPolarHBondContact O-CB 3.25Å; E95-R98 PolarHBondContact O-N 2.74Å; E95-R98 VanDerWaalsContact O-N 3.08Å; R98-L100 PolarHBondContact O-N 2.89Å; R98-K101 PolarHBondContact O-N 3.4Å; R98-N102 PolarHBondContact O-N 3.05Å; R98-N102 PolarHBondContact O-OD1 3.04Å |
| 99 | A | 88.9 | Confident | 83.3 | Confident | 64 Ų | 64 | 101.3 Ų | 101.3 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E95 G96 N102 K103 | E95-A99 PolarHBondContact O-N 2.93Å; G96-A99 PolarHBondContact O-N 2.85Å; A99-N102 PolarHBondContact O-N 3.01Å; A99-K103 WeakPolarHBondContact O-CB 3.46Å; A99-K103 PolarHBondContact O-N 3.01Å |
| 100 | L | 89.1 | Confident | 84.5 | Confident | 99 Ų | 99 | 101.2 Ų | 101.2 | 52% | 0.518 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 176.7 | -177.9 | 65.1 | 0 | 0 | 0 | 111.7 | G96 R98 N102 K103 I104 | G96-L100 WeakPolarHBondContact O-CB 3.22Å; G96-L100 PolarHBondContact O-N 2.85Å; R98-L100 PolarHBondContact O-N 2.89Å; L100-N102 PolarHBondContact O-N 2.74Å; L100-K103 PolarHBondContact O-N 3.26Å; L100-I104 HydrophobicContact CD1-CD1 4.18Å; L100-I104 HydrophobicContact CD1-CG1 4.37Å; L100-I104 HydrophobicContact CD2-CD1 4.45Å; L100-I104 HydrophobicContact CG-CD1 3.85Å; L100-I104 HydrophobicContact CG-CG1 4.43Å; L100-I104 VanDerWaalsContact O-CG1 3.29Å; L100-I104 WeakPolarHBondContact O-CG1 3Å; L100-I104 PolarHBondContact O-N 3.15Å |
| 101 | K | 91.2 | Very high | 85.6 | Confident | 131 Ų | 131 | 101.9 Ų | 101.9 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.5 | -49.4 | 176.9 | -179.7 | -177.6 | 177.1 | -175.7 | 0 | 110.5 | K97 R98 K103 I104 I105 | K97-K101 WeakPolarHBondContact O-CB 3.4Å; K97-K101 PolarHBondContact O-N 2.94Å; R98-K101 PolarHBondContact O-N 3.4Å; K101-K103 VanDerWaalsContact C-N 3.3Å; K101-K103 PolarHBondContact O-N 3.47Å; K101-I104 PolarHBondContact O-N 2.77Å; K101-I105 HydrophobicContact CD-CD1 4.46Å; K101-I105 HydrophobicContact CG-CD1 3.83Å; K101-I105 HydrophobicContact CG-CG1 4.49Å; K101-I105 VanDerWaalsContact O-CG1 3.3Å; K101-I105 WeakPolarHBondContact O-CG1 3.39Å; K101-I105 PolarHBondContact O-N 3.44Å |
| 102 | N | 93.8 | Very high | 86.7 | Confident | 108 Ų | 108 | 106.6 Ų | 106.6 | 58% | 0.578 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.1 | -39.7 | 178.4 | -70.3 | -0.5 | 0 | 0 | 0 | 111.3 | R98 A99 L100 I105 K106 | R98-N102 PolarHBondContact O-N 3.05Å; R98-N102 PolarHBondContact O-OD1 3.04Å; A99-N102 PolarHBondContact O-N 3.01Å; L100-N102 PolarHBondContact O-N 2.74Å; N102-I105 PolarHBondContact O-N 3.04Å; N102-K106 VanDerWaalsContact O-CB 3.26Å; N102-K106 WeakPolarHBondContact O-CB 3.24Å; N102-K106 PolarHBondContact O-N 3.08Å |
| 103 | K | 93.8 | Very high | 87.5 | Confident | 147 Ų | 147 | 105 Ų | 105 | 64% | 0.639 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.4 | -45.7 | 175.5 | -167.9 | 173.5 | -176.2 | 179.9 | 0 | 112 | A99 L100 K101 K106 T107 | A99-K103 WeakPolarHBondContact O-CB 3.46Å; A99-K103 PolarHBondContact O-N 3.01Å; L100-K103 PolarHBondContact O-N 3.26Å; K101-K103 VanDerWaalsContact C-N 3.3Å; K101-K103 PolarHBondContact O-N 3.47Å; K103-K106 PolarHBondContact O-N 3.35Å; K103-T107 WeakPolarHBondContact O-CB 3.14Å; K103-T107 PolarHBondContact O-N 2.82Å; K103-T107 PolarHBondContact O-OG1 2.88Å |
| 104 | I | 93.2 | Very high | 88.3 | Confident | 86 Ų | 86 | 103.3 Ų | 103.3 | 44% | 0.441 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -48.7 | 177 | -70.7 | 167.3 | 0 | 0 | 0 | 110.6 | L100 K101 K106 T107 I108 | L100-I104 HydrophobicContact CD1-CD1 4.18Å; L100-I104 HydrophobicContact CD1-CG1 4.37Å; L100-I104 HydrophobicContact CD2-CD1 4.45Å; L100-I104 HydrophobicContact CG-CD1 3.85Å; L100-I104 HydrophobicContact CG-CG1 4.43Å; L100-I104 VanDerWaalsContact O-CG1 3.29Å; L100-I104 WeakPolarHBondContact O-CG1 3Å; L100-I104 PolarHBondContact O-N 3.15Å; K101-I104 PolarHBondContact O-N 2.77Å; I104-K106 VanDerWaalsContact C-N 3.33Å; I104-K106 PolarHBondContact O-N 3.31Å; I104-T107 PolarHBondContact O-N 3.23Å; I104-I108 HydrophobicContact CG2-CD1 3.76Å; I104-I108 HydrophobicContact CG2-CG1 4.38Å; I104-I108 WeakPolarHBondContact O-CG1 3.47Å; I104-I108 PolarHBondContact O-N 2.82Å |
| 105 | I | 94.9 | Very high | 89.1 | Confident | 69 Ų | 69 | 100.1 Ų | 100.1 | 35% | 0.354 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.3 | -48.8 | 178.5 | -69.2 | 168.9 | 0 | 0 | 0 | 109.8 | K101 N102 T107 I108 E109 | K101-I105 HydrophobicContact CD-CD1 4.46Å; K101-I105 HydrophobicContact CG-CD1 3.83Å; K101-I105 HydrophobicContact CG-CG1 4.49Å; K101-I105 VanDerWaalsContact O-CG1 3.3Å; K101-I105 WeakPolarHBondContact O-CG1 3.39Å; K101-I105 PolarHBondContact O-N 3.44Å; N102-I105 PolarHBondContact O-N 3.04Å; I105-T107 VanDerWaalsContact C-N 3.33Å; I105-T107 PolarHBondContact O-N 3.49Å; I105-I108 PolarHBondContact O-N 3.32Å; I105-E109 HydrophobicContact CG2-CG 4.41Å; I105-E109 WeakPolarHBondContact O-CG 3.17Å; I105-E109 PolarHBondContact O-N 2.89Å |
| 106 | K | 95.4 | Very high | 89.7 | Confident | 125 Ų | 125 | 95.7 Ų | 95.7 | 54% | 0.543 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.2 | -44.1 | 177.6 | -176.7 | 172.9 | 175.4 | 175.3 | 0 | 112 | N102 K103 I104 I108 E109 E110 | N102-K106 VanDerWaalsContact O-CB 3.26Å; N102-K106 WeakPolarHBondContact O-CB 3.24Å; N102-K106 PolarHBondContact O-N 3.08Å; K103-K106 PolarHBondContact O-N 3.35Å; I104-K106 VanDerWaalsContact C-N 3.33Å; I104-K106 PolarHBondContact O-N 3.31Å; K106-I108 PolarHBondContact O-N 2.94Å; K106-E109 PolarHBondContact O-N 2.75Å; K106-E110 WeakPolarHBondContact CE-OE1 3.5Å; K106-E110 HydrophobicContact CG-CG 4.43Å; K106-E110 WeakPolarHBondContact O-CB 3.12Å; K106-E110 VanDerWaalsContact O-CG 3.26Å; K106-E110 WeakPolarHBondContact O-CG 3.46Å; K106-E110 PolarHBondContact O-N 2.92Å |
| 107 | T | 91.7 | Very high | 90.2 | Very high | 49 Ų | 49 | 94.7 Ų | 94.7 | 30% | 0.301 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.9 | -35.8 | 178 | -60.1 | 0 | 0 | 0 | 0 | 112.9 | K103 I104 I105 N111 F115 | K103-T107 WeakPolarHBondContact O-CB 3.14Å; K103-T107 PolarHBondContact O-N 2.82Å; K103-T107 PolarHBondContact O-OG1 2.88Å; I104-T107 PolarHBondContact O-N 3.23Å; I105-T107 VanDerWaalsContact C-N 3.33Å; I105-T107 PolarHBondContact O-N 3.49Å; T107-N111 WeakPolarHBondContact O-CB 3.29Å; T107-N111 PolarHBondContact O-N 3.44Å; T107-N111 PolarHBondContact O-ND2 3.16Å; T107-F115 HydrophobicContact CG2-CE2 3.84Å; T107-F115 HydrophobicContact CG2-CZ 4.05Å; T107-F115 WeakPolarHBondContact O-CE2 3.47Å |
| 108 | I | 91.7 | Very high | 90.6 | Very high | 70 Ų | 70 | 91.2 Ų | 91.2 | 36% | 0.359 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 172.5 | -70 | 169.4 | 0 | 0 | 0 | 110.4 | I104 I105 K106 N111 R112 F115 | I104-I108 HydrophobicContact CG2-CD1 3.76Å; I104-I108 HydrophobicContact CG2-CG1 4.38Å; I104-I108 WeakPolarHBondContact O-CG1 3.47Å; I104-I108 PolarHBondContact O-N 2.82Å; I105-I108 PolarHBondContact O-N 3.32Å; K106-I108 PolarHBondContact O-N 2.94Å; I108-N111 CarbonylContact O-C 3.34Å; I108-N111 PolarHBondContact O-N 3.01Å; I108-R112 WeakPolarHBondContact O-CA 3.13Å; I108-R112 PolarHBondContact O-N 3.14Å; I108-F115 HydrophobicContact CB-CD2 4.36Å; I108-F115 HydrophobicContact CB-CG 4.43Å; I108-F115 HydrophobicContact CG1-CB 4.48Å; I108-F115 HydrophobicContact CG1-CD1 4Å; I108-F115 HydrophobicContact CG1-CD2 4.1Å; I108-F115 HydrophobicContact CG1-CE1 4.23Å; I108-F115 HydrophobicContact CG1-CE2 4.35Å; I108-F115 HydrophobicContact CG1-CG 3.92Å; I108-F115 HydrophobicContact CG1-CZ 4.4Å; I108-F115 HydrophobicContact CG2-CB 4.3Å |
| 109 | E | 91.5 | Very high | 90.9 | Very high | 121 Ų | 121 | 84.1 Ų | 84.1 | 57% | 0.565 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.1 | -44 | 178.2 | -73.4 | 178.5 | 156.6 | 0 | 0 | 111.8 | I105 K106 N111 | I105-E109 HydrophobicContact CG2-CG 4.41Å; I105-E109 WeakPolarHBondContact O-CG 3.17Å; I105-E109 PolarHBondContact O-N 2.89Å; K106-E109 PolarHBondContact O-N 2.75Å; E109-N111 VanDerWaalsContact C-N 3.31Å; E109-N111 PolarHBondContact O-N 3.11Å |
| 110 | E | 90 | Very high | 91.1 | Very high | 121 Ų | 121 | 82.5 Ų | 82.5 | 57% | 0.565 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.8 | -34.2 | 176.7 | -75.2 | 170.8 | 173.8 | 0 | 0 | 112.6 | K106 | K106-E110 WeakPolarHBondContact CE-OE1 3.5Å; K106-E110 HydrophobicContact CG-CG 4.43Å; K106-E110 WeakPolarHBondContact O-CB 3.12Å; K106-E110 VanDerWaalsContact O-CG 3.26Å; K106-E110 WeakPolarHBondContact O-CG 3.46Å; K106-E110 PolarHBondContact O-N 2.92Å |
| 111 | N | 87 | Confident | 91.3 | Very high | 54 Ų | 54 | 77.9 Ų | 77.9 | 29% | 0.289 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | 40.7 | -176.4 | -59.6 | -80.4 | 0 | 0 | 0 | 112 | T107 I108 E109 V113 F114 F115 | T107-N111 WeakPolarHBondContact O-CB 3.29Å; T107-N111 PolarHBondContact O-N 3.44Å; T107-N111 PolarHBondContact O-ND2 3.16Å; I108-N111 CarbonylContact O-C 3.34Å; I108-N111 PolarHBondContact O-N 3.01Å; E109-N111 VanDerWaalsContact C-N 3.31Å; E109-N111 PolarHBondContact O-N 3.11Å; N111-V113 PolarHBondContact O-N 2.86Å; N111-V113 VanDerWaalsContact O-N 3.11Å; N111-F114 HydrophobicContact CB-CB 4.19Å; N111-F114 PolarHBondContact O-N 3.31Å; N111-F115 HydrophobicContact CB-CD2 3.84Å; N111-F115 HydrophobicContact CB-CE2 3.97Å; N111-F115 WeakPolarHBondContact O-CD2 3.49Å; N111-F115 PolarHBondContact O-N 3.13Å |
| 112 | R | 86.6 | Confident | 91.5 | Very high | 178 Ų | 178 | 74 Ų | 74 | 67% | 0.672 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -52.3 | -39.4 | -173.3 | -174 | -176.8 | -71.9 | -127.1 | -0.3 | 113 | I108 G116 | I108-R112 WeakPolarHBondContact O-CA 3.13Å; I108-R112 PolarHBondContact O-N 3.14Å; R112-G116 PolarHBondContact O-N 3.28Å |
| 113 | V | 85.4 | Confident | 91.5 | Very high | 72 Ų | 72 | 74.4 Ų | 74.4 | 44% | 0.436 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66 | -45.4 | 179.3 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | V31 N111 S117 | V31-V113 HydrophobicContact CG2-CG1 3.28Å; N111-V113 PolarHBondContact O-N 2.86Å; N111-V113 VanDerWaalsContact O-N 3.11Å; V113-S117 WeakPolarHBondContact O-CB 3.33Å; V113-S117 PolarHBondContact O-N 3.2Å; V113-S117 VanDerWaalsContact O-N 3.12Å; V113-S117 PolarHBondContact O-OG 3.41Å |
| 114 | F | 87.8 | Confident | 91.5 | Very high | 51 Ų | 51 | 71.7 Ų | 71.7 | 22% | 0.224 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.2 | -50.6 | 175.6 | 171.7 | -93.4 | 0 | 0 | 0 | 111.1 | I33 G34 N111 G116 S117 F118 | I33-F114 HydrophobicContact CG2-CE2 4.19Å; G34-F114 VanDerWaalsContact CA-CE2 3.42Å; N111-F114 HydrophobicContact CB-CB 4.19Å; N111-F114 PolarHBondContact O-N 3.31Å; F114-G116 PolarHBondContact O-N 3.05Å; F114-S117 PolarHBondContact O-N 3.38Å; F114-S117 PolarHBondContact O-OG 2.94Å; F114-F118 HydrophobicContact CE1-CB 4.39Å; F114-F118 HydrophobicContact CZ-CD2 4.4Å; F114-F118 WeakPolarHBondContact O-CB 3.31Å; F114-F118 PolarHBondContact O-N 3Å |
| 115 | F | 90.4 | Very high | 91.4 | Very high | 68 Ų | 68 | 67.9 Ų | 67.9 | 30% | 0.298 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.2 | -34.6 | -177.7 | -80.7 | -79 | 0 | 0 | 0 | 113 | T107 I108 N111 G119 | T107-F115 HydrophobicContact CG2-CE2 3.84Å; T107-F115 HydrophobicContact CG2-CZ 4.05Å; T107-F115 WeakPolarHBondContact O-CE2 3.47Å; I108-F115 HydrophobicContact CB-CD2 4.36Å; I108-F115 HydrophobicContact CB-CG 4.43Å; I108-F115 HydrophobicContact CG1-CB 4.48Å; I108-F115 HydrophobicContact CG1-CD1 4Å; I108-F115 HydrophobicContact CG1-CD2 4.1Å; I108-F115 HydrophobicContact CG1-CE1 4.23Å; I108-F115 HydrophobicContact CG1-CE2 4.35Å; I108-F115 HydrophobicContact CG1-CG 3.92Å; I108-F115 HydrophobicContact CG1-CZ 4.4Å; I108-F115 HydrophobicContact CG2-CB 4.3Å; N111-F115 HydrophobicContact CB-CD2 3.84Å; N111-F115 HydrophobicContact CB-CE2 3.97Å; N111-F115 WeakPolarHBondContact O-CD2 3.49Å; N111-F115 PolarHBondContact O-N 3.13Å; F115-G119 PolarHBondContact O-N 3.34Å |
| 116 | G | 91.3 | Very high | 91.1 | Very high | 53 Ų | 53 | 66.8 Ų | 66.8 | 55% | 0.546 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R112 F114 G120 | R112-G116 PolarHBondContact O-N 3.28Å; F114-G116 PolarHBondContact O-N 3.05Å; G116-G120 PolarHBondContact O-N 2.96Å |
| 117 | S | 89.4 | Confident | 90.9 | Very high | 17 Ų | 17 | 65.3 Ų | 65.3 | 12% | 0.119 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -73 | -36.8 | 177.6 | 56.3 | 0 | 0 | 0 | 0 | 113.3 | V31 V113 F114 G120 G121 | V31-S117 PolarHBondContact O-OG 3.21Å; V113-S117 WeakPolarHBondContact O-CB 3.33Å; V113-S117 PolarHBondContact O-N 3.2Å; V113-S117 VanDerWaalsContact O-N 3.12Å; V113-S117 PolarHBondContact O-OG 3.41Å; F114-S117 PolarHBondContact O-N 3.38Å; F114-S117 PolarHBondContact O-OG 2.94Å; S117-G120 PolarHBondContact O-N 2.83Å; S117-G121 PolarHBondContact O-N 3.49Å |
| 118 | F | 92.5 | Very high | 90.4 | Very high | 58 Ų | 58 | 71.3 Ų | 71.3 | 25% | 0.254 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.3 | -50 | 169.3 | 176.1 | -88.6 | 0 | 0 | 0 | 111.5 | G34 S37 G38 A41 F114 G120 G121 F122 | G34-F118 VanDerWaalsContact O-CA 3.25Å; G34-F118 WeakPolarHBondContact O-CA 3.28Å; S37-F118 WeakPolarHBondContact OG-CD2 3.48Å; G38-F118 VanDerWaalsContact CA-CE2 3.49Å; G38-F118 WeakPolarHBondContact CA-O 3.2Å; G38-F118 VanDerWaalsContact N-CD2 3.33Å; A41-F118 HydrophobicContact CB-CE2 3.97Å; A41-F118 HydrophobicContact CB-CZ 3.87Å; F114-F118 HydrophobicContact CE1-CB 4.39Å; F114-F118 HydrophobicContact CZ-CD2 4.4Å; F114-F118 WeakPolarHBondContact O-CB 3.31Å; F114-F118 PolarHBondContact O-N 3Å; F118-G120 VanDerWaalsContact C-N 3.31Å; F118-G120 PolarHBondContact O-N 3.47Å; F118-G121 PolarHBondContact O-N 2.94Å; F118-F122 HydrophobicContact CE1-CB 4.37Å; F118-F122 WeakPolarHBondContact O-CB 3.39Å; F118-F122 PolarHBondContact O-N 2.89Å |
| 119 | G | 94.1 | Very high | 89.8 | Confident | 25 Ų | 25 | 70.1 Ų | 70.1 | 26% | 0.258 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F115 F122 L123 | F115-G119 PolarHBondContact O-N 3.34Å; G119-F122 PolarHBondContact O-N 3.38Å; G119-L123 WeakPolarHBondContact O-CB 3.43Å; G119-L123 VanDerWaalsContact O-CG 3.31Å; G119-L123 WeakPolarHBondContact O-CG 3.26Å; G119-L123 PolarHBondContact O-N 3.45Å |
| 120 | G | 93.2 | Very high | 89.7 | Confident | 31 Ų | 31 | 67.6 Ų | 67.6 | 32% | 0.32 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.5 | -52.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G116 S117 F118 F122 L123 I124 | G116-G120 PolarHBondContact O-N 2.96Å; S117-G120 PolarHBondContact O-N 2.83Å; F118-G120 VanDerWaalsContact C-N 3.31Å; F118-G120 PolarHBondContact O-N 3.47Å; G120-F122 VanDerWaalsContact C-N 3.33Å; G120-F122 PolarHBondContact O-N 2.92Å; G120-L123 PolarHBondContact O-N 3.5Å; G120-I124 VanDerWaalsContact O-CG1 3.25Å; G120-I124 WeakPolarHBondContact O-CG1 3.3Å; G120-I124 PolarHBondContact O-N 2.9Å |
| 121 | G | 92.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L39 S117 F118 I124 A125 | L39-G121 WeakPolarHBondContact CD2-O 3.24Å; S117-G121 PolarHBondContact O-N 3.49Å; F118-G121 PolarHBondContact O-N 2.94Å; G121-I124 PolarHBondContact O-N 3.38Å; G121-A125 PolarHBondContact O-N 3.28Å |
| 122 | F | 94.7 | Very high | 89.9 | Confident | 49 Ų | 49 | 65.3 Ų | 65.3 | 22% | 0.215 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.4 | -47.6 | 176.8 | 177 | -97.9 | 0 | 0 | 0 | 112.4 | G38 A41 F45 F118 G119 G120 A125 I126 | G38-F122 WeakPolarHBondContact O-CA 3.21Å; G38-F122 PolarHBondContact O-N 3.22Å; A41-F122 HydrophobicContact CB-CD2 4.36Å; F45-F122 HydrophobicContact CB-CE2 3.8Å; F45-F122 HydrophobicContact CB-CZ 4.18Å; F45-F122 HydrophobicContact CD1-CE2 4.27Å; F45-F122 AromaticContact CD1-CZ 3.79Å; F45-F122 HydrophobicContact CD1-CZ 3.79Å; F45-F122 HydrophobicContact CD2-CZ 4.35Å; F45-F122 HydrophobicContact CE1-CZ 4.26Å; F45-F122 AromaticContact CG-CE2 3.97Å; F45-F122 HydrophobicContact CG-CE2 3.97Å; F45-F122 AromaticContact CG-CZ 3.83Å; F45-F122 HydrophobicContact CG-CZ 3.83Å; F118-F122 HydrophobicContact CE1-CB 4.37Å; F118-F122 WeakPolarHBondContact O-CB 3.39Å; F118-F122 PolarHBondContact O-N 2.89Å; G119-F122 PolarHBondContact O-N 3.38Å; G120-F122 VanDerWaalsContact C-N 3.33Å; G120-F122 PolarHBondContact O-N 2.92Å; F122-A125 PolarHBondContact O-N 3.42Å; F122-I126 HydrophobicContact CD1-CD1 3.72Å; F122-I126 HydrophobicContact CD2-CD1 4.47Å; F122-I126 HydrophobicContact CE1-CD1 3.19Å; F122-I126 HydrophobicContact CE1-CG1 4.42Å; F122-I126 HydrophobicContact CE2-CD1 4.01Å; F122-I126 HydrophobicContact CG-CD1 4.34Å; F122-I126 HydrophobicContact CZ-CD1 3.37Å; F122-I126 HydrophobicContact CZ-CG1 4.45Å; F122-I126 WeakPolarHBondContact O-CG1 3.39Å; F122-I126 PolarHBondContact O-N 3.03Å |
| 123 | L | 95.1 | Very high | 90.1 | Very high | 118 Ų | 118 | 58.7 Ų | 58.7 | 62% | 0.618 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.3 | -41.2 | 178 | -70.9 | 172.8 | 0 | 0 | 0 | 112 | G119 G120 A125 I126 S127 | G119-L123 WeakPolarHBondContact O-CB 3.43Å; G119-L123 VanDerWaalsContact O-CG 3.31Å; G119-L123 WeakPolarHBondContact O-CG 3.26Å; G119-L123 PolarHBondContact O-N 3.45Å; G120-L123 PolarHBondContact O-N 3.5Å; L123-A125 VanDerWaalsContact C-N 3.34Å; L123-A125 PolarHBondContact O-N 3.18Å; L123-I126 PolarHBondContact O-N 2.87Å; L123-S127 WeakPolarHBondContact O-CB 3.16Å; L123-S127 PolarHBondContact O-N 2.95Å |
| 124 | I | 93 | Very high | 90.4 | Very high | 89 Ų | 89 | 57.9 Ų | 57.9 | 46% | 0.456 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 174.6 | -69.5 | 167.6 | 0 | 0 | 0 | 110 | L39 G120 G121 I126 S127 F128 | L39-I124 HydrophobicContact CD2-CB 4.22Å; L39-I124 HydrophobicContact CD2-CG2 3.91Å; G120-I124 VanDerWaalsContact O-CG1 3.25Å; G120-I124 WeakPolarHBondContact O-CG1 3.3Å; G120-I124 PolarHBondContact O-N 2.9Å; G121-I124 PolarHBondContact O-N 3.38Å; I124-I126 PolarHBondContact O-N 3.27Å; I124-S127 WeakPolarHBondContact O-CB 3.26Å; I124-S127 PolarHBondContact O-N 3.5Å; I124-S127 VanDerWaalsContact O-N 3.12Å; I124-F128 HydrophobicContact CG2-CD2 3.84Å; I124-F128 HydrophobicContact CG2-CE2 3.99Å; I124-F128 WeakPolarHBondContact O-CD2 3.38Å; I124-F128 PolarHBondContact O-N 3.18Å; I124-F128 VanDerWaalsContact O-N 3.11Å |
| 125 | A | 90.4 | Very high | 90.5 | Very high | 7 Ų | 7 | 58.3 Ų | 58.3 | 6% | 0.058 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63 | -39.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | L39 G121 F122 L123 S127 F128 A129 | L39-A125 HydrophobicContact CB-CB 4.47Å; L39-A125 HydrophobicContact CD2-CB 3.93Å; L39-A125 WeakPolarHBondContact O-CB 3.48Å; G121-A125 PolarHBondContact O-N 3.28Å; F122-A125 PolarHBondContact O-N 3.42Å; L123-A125 VanDerWaalsContact C-N 3.34Å; L123-A125 PolarHBondContact O-N 3.18Å; A125-S127 VanDerWaalsContact C-N 3.25Å; A125-S127 PolarHBondContact O-N 3.44Å; A125-F128 PolarHBondContact O-N 3.41Å; A125-A129 WeakPolarHBondContact O-CB 2.94Å; A125-A129 PolarHBondContact O-N 3.39Å |
| 126 | I | 90.4 | Very high | 90.5 | Very high | 46 Ų | 46 | 57.6 Ų | 57.6 | 24% | 0.236 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.9 | -36 | 174.6 | -72.3 | 173.9 | 0 | 0 | 0 | 111.7 | F45 A46 R50 F122 L123 I124 F128 | F45-I126 HydrophobicContact CD1-CD1 3.61Å; F45-I126 HydrophobicContact CD1-CG1 4.17Å; F45-I126 HydrophobicContact CE1-CD1 4.04Å; A46-I126 HydrophobicContact CB-CG1 4.4Å; R50-I126 PolarHBondContact NH2-O 2.87Å; R50-I126 VanDerWaalsContact NH2-O 3.09Å; F122-I126 HydrophobicContact CD1-CD1 3.72Å; F122-I126 HydrophobicContact CD2-CD1 4.47Å; F122-I126 HydrophobicContact CE1-CD1 3.19Å; F122-I126 HydrophobicContact CE1-CG1 4.42Å; F122-I126 HydrophobicContact CE2-CD1 4.01Å; F122-I126 HydrophobicContact CG-CD1 4.34Å; F122-I126 HydrophobicContact CZ-CD1 3.37Å; F122-I126 HydrophobicContact CZ-CG1 4.45Å; F122-I126 WeakPolarHBondContact O-CG1 3.39Å; F122-I126 PolarHBondContact O-N 3.03Å; L123-I126 PolarHBondContact O-N 2.87Å; I124-I126 PolarHBondContact O-N 3.27Å; I126-F128 VanDerWaalsContact C-N 3.33Å |
| 127 | S | 89.4 | Confident | 90.5 | Very high | 94 Ų | 94 | 58 Ų | 58 | 66% | 0.657 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -68 | -31.3 | 178.4 | -170.7 | 0 | 0 | 0 | 0 | 113 | L123 I124 A125 | L123-S127 WeakPolarHBondContact O-CB 3.16Å; L123-S127 PolarHBondContact O-N 2.95Å; I124-S127 WeakPolarHBondContact O-CB 3.26Å; I124-S127 PolarHBondContact O-N 3.5Å; I124-S127 VanDerWaalsContact O-N 3.12Å; A125-S127 VanDerWaalsContact C-N 3.25Å; A125-S127 PolarHBondContact O-N 3.44Å |
| 128 | F | 82 | Confident | 90.6 | Very high | 174 Ų | 174 | 61.4 Ų | 61.4 | 76% | 0.763 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -99.4 | -21.4 | -177.9 | -79.9 | -74.7 | 0 | 0 | 0 | 114.8 | I124 A125 I126 | I124-F128 HydrophobicContact CG2-CD2 3.84Å; I124-F128 HydrophobicContact CG2-CE2 3.99Å; I124-F128 WeakPolarHBondContact O-CD2 3.38Å; I124-F128 PolarHBondContact O-N 3.18Å; I124-F128 VanDerWaalsContact O-N 3.11Å; A125-F128 PolarHBondContact O-N 3.41Å; I126-F128 VanDerWaalsContact C-N 3.33Å |
| 129 | A | 79.7 | Confident | 90.4 | Very high | 45 Ų | 45 | 61.7 Ų | 61.7 | 37% | 0.372 | 36% | 0.36 | S | S | . | . | trans | -67.3 | 0 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y43 A46 R50 A125 | Y43-A129 HydrophobicContact CD2-CB 4.17Å; A46-A129 HydrophobicContact CB-CB 3.18Å; R50-A129 VanDerWaalsContact CZ-C 3.45Å; R50-A129 PolarHBondContact NH1-O 3Å; R50-A129 PolarHBondContact NH1-OXT 3.28Å; R50-A129 PolarHBondContact NH2-OXT 3.01Å; A125-A129 WeakPolarHBondContact O-CB 2.94Å; A125-A129 PolarHBondContact O-N 3.39Å |
Retrieved 129 of 129 residues in 214.2 ms
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