| 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 | 62.5 | Low | 72.2 | Confident | 207 Ų | 207 | 114.3 Ų | 114.3 | 100% | 1.02 | 63% | 0.628 | S | S | * | * | 0 | -56.8 | 0 | -68.7 | -69.6 | -104.7 | 0 | 0 | 110.7 | A3 V4 Y5 | M1-A3 PolarHBondContact O-N 3.31Å; M1-V4 PolarHBondContact O-N 3.47Å; M1-Y5 PolarHBondContact O-N 3.16Å; M1-Y5 VanDerWaalsContact O-N 3.1Å | |||
| 2 | E | 70.2 | Confident | 72.6 | Confident | 171 Ų | 171 | 106.9 Ų | 106.9 | 80% | 0.799 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61.8 | -41.8 | -179.3 | -64.2 | -162.3 | 158.7 | 0 | 0 | 114.9 | V4 Y5 L6 | E2-V4 VanDerWaalsContact C-N 3.27Å; E2-V4 PolarHBondContact O-N 3.42Å; E2-Y5 PolarHBondContact O-N 3.15Å; E2-L6 PolarHBondContact O-N 3.19Å |
| 3 | A | 65.7 | Low | 72.7 | Confident | 73 Ų | 73 | 107.2 Ų | 107.2 | 60% | 0.603 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.7 | -34.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | M1 V7 | M1-A3 PolarHBondContact O-N 3.31Å; A3-V7 VanDerWaalsContact O-CG2 3.22Å; A3-V7 WeakPolarHBondContact O-CG2 3.42Å; A3-V7 PolarHBondContact O-N 2.88Å; A3-V7 VanDerWaalsContact O-N 3.09Å |
| 4 | V | 72.2 | Confident | 72.7 | Confident | 97 Ų | 97 | 106.4 Ų | 106.4 | 59% | 0.588 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.5 | -40.2 | 177 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | M1 E2 V7 V8 | M1-V4 PolarHBondContact O-N 3.47Å; E2-V4 VanDerWaalsContact C-N 3.27Å; E2-V4 PolarHBondContact O-N 3.42Å; V4-V7 PolarHBondContact O-N 3.43Å; V4-V8 HydrophobicContact CG1-CG2 4.34Å; V4-V8 WeakPolarHBondContact O-CB 3.45Å; V4-V8 VanDerWaalsContact O-CG2 3.25Å; V4-V8 WeakPolarHBondContact O-CG2 3.45Å; V4-V8 PolarHBondContact O-N 2.98Å |
| 5 | Y | 76.9 | Confident | 72.7 | Confident | 170 Ų | 170 | 105.5 Ų | 105.5 | 67% | 0.667 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.7 | -41.9 | 176.2 | -169.6 | -97 | 0 | 0 | 0 | 112 | M1 E2 V8 N9 | M1-Y5 PolarHBondContact O-N 3.16Å; M1-Y5 VanDerWaalsContact O-N 3.1Å; E2-Y5 PolarHBondContact O-N 3.15Å; Y5-V8 PolarHBondContact O-N 2.9Å; Y5-N9 VanDerWaalsContact O-CB 3.29Å; Y5-N9 WeakPolarHBondContact O-CB 3.38Å; Y5-N9 PolarHBondContact O-N 2.83Å |
| 6 | L | 75.1 | Confident | 72.9 | Confident | 131 Ų | 131 | 106.2 Ų | 106.2 | 69% | 0.686 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.6 | -39.9 | 176.5 | -127.8 | 158.5 | 0 | 0 | 0 | 112 | E2 G10 | E2-L6 PolarHBondContact O-N 3.19Å; L6-G10 PolarHBondContact O-N 3.09Å |
| 7 | V | 73.1 | Confident | 72.8 | Confident | 97 Ų | 97 | 104.6 Ų | 104.6 | 59% | 0.588 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.9 | -44.7 | 175.1 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | A3 V4 N9 G10 V11 | A3-V7 VanDerWaalsContact O-CG2 3.22Å; A3-V7 WeakPolarHBondContact O-CG2 3.42Å; A3-V7 PolarHBondContact O-N 2.88Å; A3-V7 VanDerWaalsContact O-N 3.09Å; V4-V7 PolarHBondContact O-N 3.43Å; V7-N9 PolarHBondContact O-N 3.31Å; V7-G10 PolarHBondContact O-N 2.85Å; V7-V11 HydrophobicContact CG1-CG2 4.37Å; V7-V11 WeakPolarHBondContact O-CB 3.43Å; V7-V11 VanDerWaalsContact O-CG2 3.22Å; V7-V11 WeakPolarHBondContact O-CG2 3.21Å; V7-V11 PolarHBondContact O-N 3.38Å |
| 8 | V | 74.9 | Confident | 72.9 | Confident | 95 Ų | 95 | 102.4 Ų | 102.4 | 58% | 0.576 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.9 | -42.2 | 178.5 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | V4 Y5 V11 G12 | V4-V8 HydrophobicContact CG1-CG2 4.34Å; V4-V8 WeakPolarHBondContact O-CB 3.45Å; V4-V8 VanDerWaalsContact O-CG2 3.25Å; V4-V8 WeakPolarHBondContact O-CG2 3.45Å; V4-V8 PolarHBondContact O-N 2.98Å; Y5-V8 PolarHBondContact O-N 2.9Å; V8-V11 PolarHBondContact O-N 2.86Å; V8-G12 PolarHBondContact O-N 3.13Å |
| 9 | N | 75.8 | Confident | 72.9 | Confident | 101 Ų | 101 | 100.7 Ų | 100.7 | 54% | 0.54 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70 | -37.3 | 177.8 | -156.7 | 30 | 0 | 0 | 0 | 111.8 | Y5 V7 G12 L13 | Y5-N9 VanDerWaalsContact O-CB 3.29Å; Y5-N9 WeakPolarHBondContact O-CB 3.38Å; Y5-N9 PolarHBondContact O-N 2.83Å; V7-N9 PolarHBondContact O-N 3.31Å; N9-G12 PolarHBondContact O-N 3.15Å; N9-L13 PolarHBondContact O-N 3.44Å |
| 10 | G | 73.9 | Confident | 72.9 | Confident | 35 Ų | 35 | 101.9 Ų | 101.9 | 36% | 0.361 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.4 | -41.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | L6 V7 L13 V14 | L6-G10 PolarHBondContact O-N 3.09Å; V7-G10 PolarHBondContact O-N 2.85Å; G10-L13 PolarHBondContact O-N 3.01Å; G10-V14 VanDerWaalsContact O-CG2 3.29Å; G10-V14 WeakPolarHBondContact O-CG2 3.08Å; G10-V14 PolarHBondContact O-N 3.48Å |
| 11 | V | 74.3 | Confident | 72.9 | Confident | 80 Ų | 80 | 100.5 Ų | 100.5 | 49% | 0.485 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.8 | -40.7 | 174.1 | 168.7 | 0 | 0 | 0 | 0 | 111 | V7 V8 V14 L15 | V7-V11 HydrophobicContact CG1-CG2 4.37Å; V7-V11 WeakPolarHBondContact O-CB 3.43Å; V7-V11 VanDerWaalsContact O-CG2 3.22Å; V7-V11 WeakPolarHBondContact O-CG2 3.21Å; V7-V11 PolarHBondContact O-N 3.38Å; V8-V11 PolarHBondContact O-N 2.86Å; V11-V14 PolarHBondContact O-N 3.23Å; V11-L15 HydrophobicContact CG1-CD1 3.84Å; V11-L15 WeakPolarHBondContact O-CB 3.41Å; V11-L15 PolarHBondContact O-N 3.43Å |
| 12 | G | 76.1 | Confident | 73.5 | Confident | 26 Ų | 26 | 95.3 Ų | 95.3 | 27% | 0.268 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.4 | -48.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V8 N9 V14 L15 D16 | V8-G12 PolarHBondContact O-N 3.13Å; N9-G12 PolarHBondContact O-N 3.15Å; G12-V14 VanDerWaalsContact C-N 3.34Å; G12-V14 PolarHBondContact O-N 3.47Å; G12-L15 WeakPolarHBondContact O-CB 3.46Å; G12-L15 PolarHBondContact O-N 3.27Å; G12-L15 VanDerWaalsContact O-N 3.16Å; G12-D16 PolarHBondContact O-N 2.83Å |
| 13 | L | 74.4 | Confident | 73.7 | Confident | 110 Ų | 110 | 92.1 Ų | 92.1 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.6 | -38 | 179.5 | -155 | 153.4 | 0 | 0 | 0 | 112.1 | N9 G10 D16 V17 | N9-L13 PolarHBondContact O-N 3.44Å; G10-L13 PolarHBondContact O-N 3.01Å; L13-D16 PolarHBondContact O-N 3.19Å; L13-V17 HydrophobicContact CD2-CG2 4.09Å; L13-V17 VanDerWaalsContact O-CG2 3.28Å; L13-V17 WeakPolarHBondContact O-CG2 3.49Å; L13-V17 PolarHBondContact O-N 2.88Å |
| 14 | V | 73 | Confident | 74 | Confident | 96 Ų | 96 | 94.4 Ų | 94.4 | 58% | 0.582 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 174.1 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | G10 V11 G12 L18 | G10-V14 VanDerWaalsContact O-CG2 3.29Å; G10-V14 WeakPolarHBondContact O-CG2 3.08Å; G10-V14 PolarHBondContact O-N 3.48Å; V11-V14 PolarHBondContact O-N 3.23Å; G12-V14 VanDerWaalsContact C-N 3.34Å; G12-V14 PolarHBondContact O-N 3.47Å; V14-L18 VanDerWaalsContact O-CB 3.25Å; V14-L18 WeakPolarHBondContact O-CB 3.36Å; V14-L18 PolarHBondContact O-N 3.17Å |
| 15 | L | 72.9 | Confident | 74.1 | Confident | 94 Ų | 94 | 91.2 Ų | 91.2 | 49% | 0.492 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 174.5 | -95.7 | 146.4 | 0 | 0 | 0 | 111.7 | V11 G12 L18 T19 | V11-L15 HydrophobicContact CG1-CD1 3.84Å; V11-L15 WeakPolarHBondContact O-CB 3.41Å; V11-L15 PolarHBondContact O-N 3.43Å; G12-L15 WeakPolarHBondContact O-CB 3.46Å; G12-L15 PolarHBondContact O-N 3.27Å; G12-L15 VanDerWaalsContact O-N 3.16Å; L15-L18 PolarHBondContact O-N 3.04Å; L15-T19 WeakPolarHBondContact O-CB 3.4Å; L15-T19 PolarHBondContact O-N 2.99Å; L15-T19 PolarHBondContact O-OG1 3.38Å |
| 16 | D | 75.1 | Confident | 74.3 | Confident | 116 Ų | 116 | 90.2 Ų | 90.2 | 62% | 0.62 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.6 | -44 | 178 | -70.5 | -22.1 | 0 | 0 | 0 | 111.6 | G12 L13 T19 L20 | G12-D16 PolarHBondContact O-N 2.83Å; L13-D16 PolarHBondContact O-N 3.19Å; D16-T19 PolarHBondContact O-N 3.36Å; D16-L20 WeakPolarHBondContact O-CB 3.44Å; D16-L20 PolarHBondContact O-N 2.97Å |
| 17 | V | 71.7 | Confident | 74.4 | Confident | 79 Ų | 79 | 89.5 Ų | 89.5 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 174.8 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | L13 T19 L20 V21 | L13-V17 HydrophobicContact CD2-CG2 4.09Å; L13-V17 VanDerWaalsContact O-CG2 3.28Å; L13-V17 WeakPolarHBondContact O-CG2 3.49Å; L13-V17 PolarHBondContact O-N 2.88Å; V17-T19 VanDerWaalsContact C-N 3.33Å; V17-T19 PolarHBondContact O-N 3.04Å; V17-L20 PolarHBondContact O-N 3.31Å; V17-V21 VanDerWaalsContact O-CG2 3.28Å; V17-V21 WeakPolarHBondContact O-CG2 3.11Å; V17-V21 PolarHBondContact O-N 3.12Å |
| 18 | L | 73.6 | Confident | 74.6 | Confident | 65 Ų | 65 | 88.3 Ų | 88.3 | 34% | 0.34 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 176.9 | -175.5 | 66.8 | 0 | 0 | 0 | 111.6 | V14 L15 V21 L22 L234 | V14-L18 VanDerWaalsContact O-CB 3.25Å; V14-L18 WeakPolarHBondContact O-CB 3.36Å; V14-L18 PolarHBondContact O-N 3.17Å; L15-L18 PolarHBondContact O-N 3.04Å; L18-V21 PolarHBondContact O-N 3.36Å; L18-L22 PolarHBondContact O-N 3.47Å; L18-L234 HydrophobicContact CD1-CD2 3.94Å; L18-L234 HydrophobicContact CD2-CD2 3.87Å |
| 19 | T | 74.6 | Confident | 74.8 | Confident | 71 Ų | 71 | 85.1 Ų | 85.1 | 44% | 0.436 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.6 | -44.7 | 178.6 | -45.7 | 0 | 0 | 0 | 0 | 110.6 | L15 D16 V17 V21 L22 D23 | L15-T19 WeakPolarHBondContact O-CB 3.4Å; L15-T19 PolarHBondContact O-N 2.99Å; L15-T19 PolarHBondContact O-OG1 3.38Å; D16-T19 PolarHBondContact O-N 3.36Å; V17-T19 VanDerWaalsContact C-N 3.33Å; V17-T19 PolarHBondContact O-N 3.04Å; T19-V21 VanDerWaalsContact C-N 3.35Å; T19-V21 PolarHBondContact O-N 2.92Å; T19-L22 WeakPolarHBondContact O-CB 3.17Å; T19-L22 PolarHBondContact O-N 3.22Å; T19-L22 VanDerWaalsContact O-N 3.13Å; T19-D23 PolarHBondContact O-N 2.91Å |
| 20 | L | 72.2 | Confident | 75.1 | Confident | 124 Ų | 124 | 82.6 Ų | 82.6 | 65% | 0.649 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -58.6 | -43.7 | 174.3 | -172.6 | 99.8 | 0 | 0 | 0 | 112.2 | D16 V17 L22 D23 L24 | D16-L20 WeakPolarHBondContact O-CB 3.44Å; D16-L20 PolarHBondContact O-N 2.97Å; V17-L20 PolarHBondContact O-N 3.31Å; L20-L22 VanDerWaalsContact C-N 3.32Å; L20-D23 PolarHBondContact O-N 3.4Å; L20-L24 WeakPolarHBondContact O-CB 3.42Å; L20-L24 PolarHBondContact O-N 3.33Å |
| 21 | V | 71.9 | Confident | 75.4 | Confident | 73 Ų | 73 | 84 Ų | 84 | 44% | 0.442 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 176.9 | 170.6 | 0 | 0 | 0 | 0 | 111 | V17 L18 T19 N25 | V17-V21 VanDerWaalsContact O-CG2 3.28Å; V17-V21 WeakPolarHBondContact O-CG2 3.11Å; V17-V21 PolarHBondContact O-N 3.12Å; L18-V21 PolarHBondContact O-N 3.36Å; T19-V21 VanDerWaalsContact C-N 3.35Å; T19-V21 PolarHBondContact O-N 2.92Å; V21-N25 WeakPolarHBondContact O-CB 3.45Å; V21-N25 PolarHBondContact O-N 2.89Å |
| 22 | L | 75.6 | Confident | 75.7 | Confident | 98 Ų | 98 | 81.9 Ų | 81.9 | 51% | 0.513 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 176.1 | -127.7 | 89.8 | 0 | 0 | 0 | 112.1 | L18 T19 L20 N25 F26 | L18-L22 PolarHBondContact O-N 3.47Å; T19-L22 WeakPolarHBondContact O-CB 3.17Å; T19-L22 PolarHBondContact O-N 3.22Å; T19-L22 VanDerWaalsContact O-N 3.13Å; L20-L22 VanDerWaalsContact C-N 3.32Å; L22-N25 WeakPolarHBondContact O-CB 3.22Å; L22-N25 PolarHBondContact O-N 2.92Å; L22-F26 WeakPolarHBondContact O-CB 3.47Å; L22-F26 PolarHBondContact O-N 3.4Å |
| 23 | D | 75 | Confident | 75.9 | Confident | 104 Ų | 104 | 85.2 Ų | 85.2 | 56% | 0.556 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.4 | -42.3 | 179.1 | -74.7 | -19.4 | 0 | 0 | 0 | 111.5 | T19 L20 N25 F26 L27 | T19-D23 PolarHBondContact O-N 2.91Å; L20-D23 PolarHBondContact O-N 3.4Å; D23-N25 VanDerWaalsContact C-N 3.32Å; D23-N25 PolarHBondContact O-N 3.42Å; D23-F26 PolarHBondContact O-N 2.93Å; D23-L27 WeakPolarHBondContact O-CB 3.48Å; D23-L27 PolarHBondContact O-N 2.88Å |
| 24 | L | 71.5 | Confident | 76.4 | Confident | 121 Ų | 121 | 82.3 Ų | 82.3 | 63% | 0.634 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.1 | -42 | 174.7 | -163.7 | 94.5 | 0 | 0 | 0 | 111.2 | L20 L27 L28 | L20-L24 WeakPolarHBondContact O-CB 3.42Å; L20-L24 PolarHBondContact O-N 3.33Å; L24-L27 PolarHBondContact O-N 2.89Å; L24-L28 VanDerWaalsContact O-CB 3.27Å; L24-L28 WeakPolarHBondContact O-CB 3.4Å; L24-L28 PolarHBondContact O-N 3.29Å |
| 25 | N | 75.6 | Confident | 76.7 | Confident | 30 Ų | 30 | 80.1 Ų | 80.1 | 16% | 0.16 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 176 | 174.5 | 2.2 | 0 | 0 | 0 | 111.5 | V21 L22 D23 L27 L28 V29 F223 N227 | V21-N25 WeakPolarHBondContact O-CB 3.45Å; V21-N25 PolarHBondContact O-N 2.89Å; L22-N25 WeakPolarHBondContact O-CB 3.22Å; L22-N25 PolarHBondContact O-N 2.92Å; D23-N25 VanDerWaalsContact C-N 3.32Å; D23-N25 PolarHBondContact O-N 3.42Å; N25-L27 PolarHBondContact O-N 3.45Å; N25-L28 PolarHBondContact O-N 2.68Å; N25-V29 WeakPolarHBondContact O-CB 3.48Å; N25-V29 VanDerWaalsContact O-CG2 3.32Å; N25-V29 WeakPolarHBondContact O-CG2 3.44Å; N25-V29 PolarHBondContact O-N 3.11Å; N25-V29 WeakPolarHBondContact OD1-CG2 3.47Å; N25-F223 HydrophobicContact CB-CE1 3.96Å; N25-F223 HydrophobicContact CB-CZ 3.73Å; N25-F223 VanDerWaalsContact CG-CE1 3.41Å; N25-F223 WeakPolarHBondContact OD1-CE1 3.39Å; N25-F223 WeakPolarHBondContact OD1-CZ 3.21Å; N25-N227 VanDerWaalsContact CG-ND2 3.32Å; N25-N227 PolarHBondContact ND2-ND2 3.37Å; N25-N227 PolarHBondContact OD1-ND2 3.12Å |
| 26 | F | 80 | Confident | 77.1 | Confident | 149 Ų | 149 | 77 Ų | 77 | 65% | 0.654 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -61.5 | -43.3 | 176 | 179.9 | -99.6 | 0 | 0 | 0 | 112.3 | L22 D23 S30 | L22-F26 WeakPolarHBondContact O-CB 3.47Å; L22-F26 PolarHBondContact O-N 3.4Å; D23-F26 PolarHBondContact O-N 2.93Å; F26-S30 VanDerWaalsContact O-CB 3.24Å; F26-S30 WeakPolarHBondContact O-CB 3.06Å; F26-S30 PolarHBondContact O-N 3.05Å; F26-S30 PolarHBondContact O-OG 3.27Å |
| 27 | L | 77.9 | Confident | 77.5 | Confident | 116 Ų | 116 | 74.3 Ų | 74.3 | 61% | 0.607 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -65 | -40.9 | 177.1 | -172.8 | 140.4 | 0 | 0 | 0 | 111.8 | D23 L24 N25 S30 S31 | D23-L27 WeakPolarHBondContact O-CB 3.48Å; D23-L27 PolarHBondContact O-N 2.88Å; L24-L27 PolarHBondContact O-N 2.89Å; N25-L27 PolarHBondContact O-N 3.45Å; L27-S30 WeakPolarHBondContact CA-OG 3.24Å; L27-S30 PolarHBondContact O-OG 3.35Å; L27-S30 VanDerWaalsContact O-OG 3.09Å; L27-S31 VanDerWaalsContact O-CB 3.32Å; L27-S31 WeakPolarHBondContact O-CB 3.31Å; L27-S31 PolarHBondContact O-N 3.13Å; L27-S31 PolarHBondContact O-OG 3.42Å |
| 28 | L | 76.6 | Confident | 78.3 | Confident | 71 Ų | 71 | 80.3 Ų | 80.3 | 37% | 0.372 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -68.3 | -44.5 | 178.3 | -162.2 | 134.3 | 0 | 0 | 0 | 111.3 | L24 N25 S31 L32 F223 | L24-L28 VanDerWaalsContact O-CB 3.27Å; L24-L28 WeakPolarHBondContact O-CB 3.4Å; L24-L28 PolarHBondContact O-N 3.29Å; N25-L28 PolarHBondContact O-N 2.68Å; L28-S31 PolarHBondContact O-OG 2.98Å; L28-L32 HydrophobicContact CD2-CD1 3.5Å; L28-L32 VanDerWaalsContact CD2-CD1 3.5Å; L28-L32 HydrophobicContact CG-CD1 4.12Å; L28-L32 VanDerWaalsContact O-CB 3.31Å; L28-L32 WeakPolarHBondContact O-CB 3.48Å; L28-L32 WeakPolarHBondContact O-CD1 3.4Å; L28-L32 PolarHBondContact O-N 3.42Å; L28-F223 HydrophobicContact CB-CE1 4.48Å; L28-F223 HydrophobicContact CD2-CD1 4.15Å; L28-F223 HydrophobicContact CD2-CE1 3.9Å; L28-F223 HydrophobicContact CD2-CZ 4.27Å |
| 29 | V | 80 | Confident | 78.7 | Confident | 28 Ų | 28 | 79 Ų | 79 | 17% | 0.17 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 177.1 | 169.5 | 0 | 0 | 0 | 0 | 111.7 | N25 L32 L33 L220 F223 | N25-V29 WeakPolarHBondContact O-CB 3.48Å; N25-V29 VanDerWaalsContact O-CG2 3.32Å; N25-V29 WeakPolarHBondContact O-CG2 3.44Å; N25-V29 PolarHBondContact O-N 3.11Å; N25-V29 WeakPolarHBondContact OD1-CG2 3.47Å; V29-L32 PolarHBondContact O-N 3.48Å; V29-L33 HydrophobicContact CG1-CD1 3.56Å; V29-L33 HydrophobicContact CG1-CG 4.43Å; V29-L33 WeakPolarHBondContact O-CB 3.28Å; V29-L33 WeakPolarHBondContact O-CD1 3.3Å; V29-L33 WeakPolarHBondContact O-CG 3.3Å; V29-L33 PolarHBondContact O-N 3.33Å; V29-L220 HydrophobicContact CB-CD2 4.42Å; V29-L220 HydrophobicContact CG1-CD2 4.32Å; V29-L220 HydrophobicContact CG2-CD2 4.16Å; V29-F223 HydrophobicContact CG2-CD1 3.65Å; V29-F223 HydrophobicContact CG2-CE1 3.7Å |
| 30 | S | 82.1 | Confident | 79 | Confident | 48 Ų | 48 | 80.7 Ų | 80.7 | 34% | 0.336 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.7 | -41.9 | -179.7 | 57.6 | 0 | 0 | 0 | 0 | 112.6 | F26 L27 L33 A34 | F26-S30 VanDerWaalsContact O-CB 3.24Å; F26-S30 WeakPolarHBondContact O-CB 3.06Å; F26-S30 PolarHBondContact O-N 3.05Å; F26-S30 PolarHBondContact O-OG 3.27Å; L27-S30 WeakPolarHBondContact CA-OG 3.24Å; L27-S30 PolarHBondContact O-OG 3.35Å; L27-S30 VanDerWaalsContact O-OG 3.09Å; S30-L33 PolarHBondContact O-N 2.84Å; S30-A34 WeakPolarHBondContact O-CB 3.45Å; S30-A34 PolarHBondContact O-N 3.35Å |
| 31 | S | 79.9 | Confident | 79.6 | Confident | 64 Ų | 64 | 76.7 Ų | 76.7 | 45% | 0.448 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 175 | 59 | 0 | 0 | 0 | 0 | 112.4 | L27 L28 A34 S35 | L27-S31 VanDerWaalsContact O-CB 3.32Å; L27-S31 WeakPolarHBondContact O-CB 3.31Å; L27-S31 PolarHBondContact O-N 3.13Å; L27-S31 PolarHBondContact O-OG 3.42Å; L28-S31 PolarHBondContact O-OG 2.98Å; S31-A34 PolarHBondContact O-N 3.03Å; S31-S35 WeakPolarHBondContact O-CB 3.39Å; S31-S35 PolarHBondContact O-N 2.84Å |
| 32 | L | 79.1 | Confident | 80.2 | Confident | 36 Ų | 36 | 78.8 Ų | 78.8 | 19% | 0.188 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 173.8 | -96.8 | 144.3 | 0 | 0 | 0 | 112 | L28 V29 A34 S35 L36 A216 L220 | L28-L32 HydrophobicContact CD2-CD1 3.5Å; L28-L32 VanDerWaalsContact CD2-CD1 3.5Å; L28-L32 HydrophobicContact CG-CD1 4.12Å; L28-L32 VanDerWaalsContact O-CB 3.31Å; L28-L32 WeakPolarHBondContact O-CB 3.48Å; L28-L32 WeakPolarHBondContact O-CD1 3.4Å; L28-L32 PolarHBondContact O-N 3.42Å; V29-L32 PolarHBondContact O-N 3.48Å; L32-A34 VanDerWaalsContact C-N 3.34Å; L32-A34 PolarHBondContact O-N 3.47Å; L32-S35 PolarHBondContact O-N 3.48Å; L32-S35 PolarHBondContact O-OG 3.19Å; L32-L36 WeakPolarHBondContact O-CG 3.4Å; L32-L36 PolarHBondContact O-N 3.27Å; L32-A216 HydrophobicContact CD2-CB 3.95Å; L32-L220 HydrophobicContact CB-CD1 4.02Å; L32-L220 HydrophobicContact CB-CD2 3.75Å; L32-L220 HydrophobicContact CB-CG 3.99Å; L32-L220 HydrophobicContact CD1-CD2 4.15Å; L32-L220 HydrophobicContact CD1-CG 4.41Å; L32-L220 HydrophobicContact CD2-CD1 4.42Å; L32-L220 HydrophobicContact CD2-CG 4.19Å; L32-L220 HydrophobicContact CG-CD2 4.41Å; L32-L220 HydrophobicContact CG-CG 4.44Å |
| 33 | L | 80.8 | Confident | 80.5 | Confident | 97 Ų | 97 | 76.1 Ų | 76.1 | 51% | 0.508 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 176 | -83.5 | 160 | 0 | 0 | 0 | 112.1 | V29 S30 L36 A37 | V29-L33 HydrophobicContact CG1-CD1 3.56Å; V29-L33 HydrophobicContact CG1-CG 4.43Å; V29-L33 WeakPolarHBondContact O-CB 3.28Å; V29-L33 WeakPolarHBondContact O-CD1 3.3Å; V29-L33 WeakPolarHBondContact O-CG 3.3Å; V29-L33 PolarHBondContact O-N 3.33Å; S30-L33 PolarHBondContact O-N 2.84Å; L33-L36 PolarHBondContact O-N 3.45Å; L33-A37 WeakPolarHBondContact O-CB 3.37Å; L33-A37 PolarHBondContact O-N 2.93Å |
| 34 | A | 85.8 | Confident | 81 | Confident | 48 Ų | 48 | 79.9 Ų | 79.9 | 40% | 0.397 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S30 S31 L32 L36 A37 W38 | S30-A34 WeakPolarHBondContact O-CB 3.45Å; S30-A34 PolarHBondContact O-N 3.35Å; S31-A34 PolarHBondContact O-N 3.03Å; L32-A34 VanDerWaalsContact C-N 3.34Å; L32-A34 PolarHBondContact O-N 3.47Å; A34-L36 PolarHBondContact O-N 2.91Å; A34-A37 PolarHBondContact O-N 3.45Å; A34-W38 VanDerWaalsContact O-CD1 3.24Å; A34-W38 PolarHBondContact O-N 3.19Å |
| 35 | S | 79.1 | Confident | 81.7 | Confident | 51 Ų | 51 | 78 Ų | 78 | 36% | 0.357 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 177.5 | 75.8 | 0 | 0 | 0 | 0 | 112.5 | S31 L32 W38 L39 | S31-S35 WeakPolarHBondContact O-CB 3.39Å; S31-S35 PolarHBondContact O-N 2.84Å; L32-S35 PolarHBondContact O-N 3.48Å; L32-S35 PolarHBondContact O-OG 3.19Å; S35-W38 PolarHBondContact O-N 3.3Å; S35-L39 WeakPolarHBondContact O-CB 3.49Å; S35-L39 PolarHBondContact O-N 3.42Å |
| 36 | L | 80.6 | Confident | 82.1 | Confident | 28 Ų | 28 | 78 Ų | 78 | 15% | 0.147 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 174.8 | -75.7 | -178.6 | 0 | 0 | 0 | 111.7 | L32 L33 A34 W38 L39 L40 L213 A216 L220 | L32-L36 WeakPolarHBondContact O-CG 3.4Å; L32-L36 PolarHBondContact O-N 3.27Å; L33-L36 PolarHBondContact O-N 3.45Å; A34-L36 PolarHBondContact O-N 2.91Å; L36-W38 VanDerWaalsContact C-N 3.35Å; L36-L39 PolarHBondContact O-N 3.44Å; L36-L40 VanDerWaalsContact O-CB 3.31Å; L36-L40 WeakPolarHBondContact O-CB 3.36Å; L36-L40 PolarHBondContact O-N 3.46Å; L36-L213 HydrophobicContact CB-CD1 4.42Å; L36-L213 HydrophobicContact CD2-CD1 3.38Å; L36-L213 HydrophobicContact CD2-CG 3.95Å; L36-L213 HydrophobicContact CG-CD1 4.5Å; L36-A216 HydrophobicContact CD2-CB 3.71Å; L36-A216 HydrophobicContact CG-CB 4.41Å; L36-L220 HydrophobicContact CD1-CD1 3.36Å; L36-L220 HydrophobicContact CG-CD1 4.4Å |
| 37 | A | 84.8 | Confident | 82.2 | Confident | 59 Ų | 59 | 74.4 Ų | 74.4 | 49% | 0.488 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L33 A34 L40 A41 | L33-A37 WeakPolarHBondContact O-CB 3.37Å; L33-A37 PolarHBondContact O-N 2.93Å; A34-A37 PolarHBondContact O-N 3.45Å; A37-L40 PolarHBondContact O-N 3.27Å; A37-A41 VanDerWaalsContact O-CB 3.27Å; A37-A41 WeakPolarHBondContact O-CB 3.44Å; A37-A41 PolarHBondContact O-N 2.89Å |
| 38 | W | 88.3 | Confident | 82.5 | Confident | 206 Ų | 206 | 74.5 Ų | 74.5 | 78% | 0.78 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.5 | -43.6 | 174.6 | -84.8 | 105 | 0 | 0 | 0 | 112.6 | A34 S35 L36 A41 F42 | A34-W38 VanDerWaalsContact O-CD1 3.24Å; A34-W38 PolarHBondContact O-N 3.19Å; S35-W38 PolarHBondContact O-N 3.3Å; L36-W38 VanDerWaalsContact C-N 3.35Å; W38-A41 PolarHBondContact O-N 3.09Å; W38-F42 WeakPolarHBondContact O-CB 3.45Å; W38-F42 PolarHBondContact O-N 2.88Å |
| 39 | L | 80.7 | Confident | 82.8 | Confident | 36 Ų | 36 | 75 Ų | 75 | 19% | 0.188 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 174.9 | -91.4 | 151.2 | 0 | 0 | 0 | 112 | S35 L36 F42 V43 A209 L212 L213 | S35-L39 WeakPolarHBondContact O-CB 3.49Å; S35-L39 PolarHBondContact O-N 3.42Å; L36-L39 PolarHBondContact O-N 3.44Å; L39-F42 WeakPolarHBondContact O-CB 3.37Å; L39-F42 PolarHBondContact O-N 2.97Å; L39-V43 WeakPolarHBondContact O-CG2 3.47Å; L39-V43 PolarHBondContact O-N 3.3Å; L39-A209 HydrophobicContact CD2-CB 3.93Å; L39-L212 HydrophobicContact CD1-CD2 3.94Å; L39-L212 HydrophobicContact CD1-CG 4.44Å; L39-L212 HydrophobicContact CD2-CD2 4.44Å; L39-L213 HydrophobicContact CB-CD1 3.89Å |
| 40 | L | 80.9 | Confident | 83 | Confident | 108 Ų | 108 | 76.9 Ų | 76.9 | 57% | 0.565 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.5 | -44.6 | 178.6 | -162.5 | 90 | 0 | 0 | 0 | 111.3 | L36 A37 F42 V43 Y44 L213 | L36-L40 VanDerWaalsContact O-CB 3.31Å; L36-L40 WeakPolarHBondContact O-CB 3.36Å; L36-L40 PolarHBondContact O-N 3.46Å; A37-L40 PolarHBondContact O-N 3.27Å; L40-F42 VanDerWaalsContact C-N 3.31Å; L40-F42 PolarHBondContact O-N 2.75Å; L40-V43 PolarHBondContact O-N 2.89Å; L40-Y44 WeakPolarHBondContact O-CB 3.35Å; L40-Y44 PolarHBondContact O-N 3.22Å; L40-L213 HydrophobicContact CD1-CD2 4.11Å |
| 41 | A | 85.1 | Confident | 83 | Confident | 40 Ų | 40 | 79.5 Ų | 79.5 | 33% | 0.331 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A37 W38 N45 | A37-A41 VanDerWaalsContact O-CB 3.27Å; A37-A41 WeakPolarHBondContact O-CB 3.44Å; A37-A41 PolarHBondContact O-N 2.89Å; W38-A41 PolarHBondContact O-N 3.09Å; A41-N45 WeakPolarHBondContact O-CB 3.36Å; A41-N45 PolarHBondContact O-N 2.85Å; A41-N45 PolarHBondContact O-ND2 3.32Å |
| 42 | F | 84.2 | Confident | 83.2 | Confident | 117 Ų | 117 | 78.9 Ų | 78.9 | 51% | 0.513 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62 | -50.8 | 174.8 | 175.2 | -99.9 | 0 | 0 | 0 | 111.6 | W38 L39 L40 Y44 N45 L46 | W38-F42 WeakPolarHBondContact O-CB 3.45Å; W38-F42 PolarHBondContact O-N 2.88Å; L39-F42 WeakPolarHBondContact O-CB 3.37Å; L39-F42 PolarHBondContact O-N 2.97Å; L40-F42 VanDerWaalsContact C-N 3.31Å; L40-F42 PolarHBondContact O-N 2.75Å; F42-Y44 VanDerWaalsContact C-N 3.31Å; F42-Y44 PolarHBondContact O-N 2.92Å; F42-N45 PolarHBondContact O-N 2.9Å; F42-L46 HydrophobicContact CD1-CD1 4.47Å; F42-L46 HydrophobicContact CE1-CD1 3.66Å; F42-L46 HydrophobicContact CE2-CD1 4.32Å; F42-L46 HydrophobicContact CZ-CD1 3.58Å; F42-L46 VanDerWaalsContact O-CB 3.25Å; F42-L46 WeakPolarHBondContact O-CB 3.22Å; F42-L46 PolarHBondContact O-N 3.04Å |
| 43 | V | 82.6 | Confident | 83.1 | Confident | 42 Ų | 42 | 81 Ų | 81 | 26% | 0.255 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 179.2 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | L39 L40 P47 A209 | L39-V43 WeakPolarHBondContact O-CG2 3.47Å; L39-V43 PolarHBondContact O-N 3.3Å; L40-V43 PolarHBondContact O-N 2.89Å; V43-P47 WeakPolarHBondContact O-CD 3.31Å; V43-A209 HydrophobicContact CG2-CB 4.48Å |
| 44 | Y | 84.7 | Confident | 83.1 | Confident | 183 Ų | 183 | 80.8 Ų | 80.8 | 72% | 0.718 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -69.5 | -39.8 | 178.6 | -177.7 | -96.8 | 0 | 0 | 0 | 113.1 | L40 F42 P47 | L40-Y44 WeakPolarHBondContact O-CB 3.35Å; L40-Y44 PolarHBondContact O-N 3.22Å; F42-Y44 VanDerWaalsContact C-N 3.31Å; F42-Y44 PolarHBondContact O-N 2.92Å; Y44-P47 WeakPolarHBondContact O-CD 2.96Å; Y44-P47 WeakPolarHBondContact O-CG 3.48Å |
| 45 | N | 87 | Confident | 82.9 | Confident | 80 Ų | 80 | 82.7 Ų | 82.7 | 43% | 0.428 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -82.1 | -24.6 | -176.7 | -73.2 | -56.3 | 0 | 0 | 0 | 113.5 | A41 F42 H48 T49 | A41-N45 WeakPolarHBondContact O-CB 3.36Å; A41-N45 PolarHBondContact O-N 2.85Å; A41-N45 PolarHBondContact O-ND2 3.32Å; F42-N45 PolarHBondContact O-N 2.9Å; N45-H48 WeakPolarHBondContact O-CB 3.42Å; N45-H48 PolarHBondContact O-N 2.92Å; N45-H48 VanDerWaalsContact O-N 3.14Å; N45-T49 WeakPolarHBondContact O-CG2 3.48Å; N45-T49 PolarHBondContact O-N 3.01Å; N45-T49 PolarHBondContact O-OG1 3.2Å |
| 46 | L | 84.1 | Confident | 83 | Confident | 30 Ų | 30 | 86.4 Ų | 86.4 | 16% | 0.157 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -55.7 | -46.8 | 179.8 | -178.2 | 144.5 | 0 | 0 | 0 | 114.8 | F42 H48 T49 V50 L202 | F42-L46 HydrophobicContact CD1-CD1 4.47Å; F42-L46 HydrophobicContact CE1-CD1 3.66Å; F42-L46 HydrophobicContact CE2-CD1 4.32Å; F42-L46 HydrophobicContact CZ-CD1 3.58Å; F42-L46 VanDerWaalsContact O-CB 3.25Å; F42-L46 WeakPolarHBondContact O-CB 3.22Å; F42-L46 PolarHBondContact O-N 3.04Å; L46-H48 VanDerWaalsContact C-N 3.3Å; L46-H48 PolarHBondContact O-N 2.79Å; L46-T49 PolarHBondContact O-N 3.38Å; L46-T49 PolarHBondContact O-OG1 2.9Å; L46-V50 VanDerWaalsContact O-CG2 3.28Å; L46-V50 WeakPolarHBondContact O-CG2 3.14Å; L46-V50 PolarHBondContact O-N 3.5Å; L46-L202 HydrophobicContact CD1-CD1 4.1Å; L46-L202 HydrophobicContact CD1-CD2 4.32Å; L46-L202 HydrophobicContact CD1-CG 4.37Å; L46-L202 HydrophobicContact CD2-CD2 3.58Å; L46-L202 HydrophobicContact CD2-CG 4.19Å; L46-L202 HydrophobicContact CG-CD2 4.13Å |
| 47 | P | 83.1 | Confident | 83 | Confident | 75 Ų | 75 | 90 Ų | 90 | 49% | 0.487 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65 | -34.6 | 175 | 23.1 | -32.5 | 0 | 0 | 0 | 112.4 | V43 Y44 L51 | V43-P47 WeakPolarHBondContact O-CD 3.31Å; Y44-P47 WeakPolarHBondContact O-CD 2.96Å; Y44-P47 WeakPolarHBondContact O-CG 3.48Å; P47-L51 WeakPolarHBondContact O-CB 3.18Å; P47-L51 PolarHBondContact O-N 3.4Å |
| 48 | H | 82.8 | Confident | 82.8 | Confident | 118 Ų | 118 | 88.9 Ų | 88.9 | 55% | 0.546 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.1 | -40.7 | 178.2 | -176.3 | -90.1 | 0 | 0 | 0 | 112.1 | N45 L46 T52 | N45-H48 WeakPolarHBondContact O-CB 3.42Å; N45-H48 PolarHBondContact O-N 2.92Å; N45-H48 VanDerWaalsContact O-N 3.14Å; L46-H48 VanDerWaalsContact C-N 3.3Å; L46-H48 PolarHBondContact O-N 2.79Å; H48-T52 WeakPolarHBondContact O-CB 3.41Å; H48-T52 WeakPolarHBondContact O-CG2 3.32Å; H48-T52 PolarHBondContact O-N 3.48Å; H48-T52 PolarHBondContact O-OG1 2.79Å |
| 49 | T | 83.9 | Confident | 82.6 | Confident | 80 Ų | 80 | 86.7 Ų | 86.7 | 49% | 0.491 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.7 | -39.9 | 176.9 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | N45 L46 T52 S53 | N45-T49 WeakPolarHBondContact O-CG2 3.48Å; N45-T49 PolarHBondContact O-N 3.01Å; N45-T49 PolarHBondContact O-OG1 3.2Å; L46-T49 PolarHBondContact O-N 3.38Å; L46-T49 PolarHBondContact O-OG1 2.9Å; T49-T52 WeakPolarHBondContact CA-OG1 3.1Å; T49-T52 PolarHBondContact O-OG1 3.2Å; T49-S53 WeakPolarHBondContact O-CB 3.48Å; T49-S53 PolarHBondContact O-N 2.98Å |
| 50 | V | 83.7 | Confident | 82.5 | Confident | 69 Ų | 69 | 86.9 Ų | 86.9 | 42% | 0.418 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 174.3 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | L46 S53 L54 L202 | L46-V50 VanDerWaalsContact O-CG2 3.28Å; L46-V50 WeakPolarHBondContact O-CG2 3.14Å; L46-V50 PolarHBondContact O-N 3.5Å; V50-S53 PolarHBondContact O-N 2.74Å; V50-L54 WeakPolarHBondContact O-CB 3.37Å; V50-L54 PolarHBondContact O-N 3.38Å; V50-L202 HydrophobicContact CG2-CD2 4.13Å |
| 51 | L | 82.9 | Confident | 82.6 | Confident | 103 Ų | 103 | 82.9 Ų | 82.9 | 54% | 0.539 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64 | -44 | -179.8 | -175.5 | 63.9 | 0 | 0 | 0 | 112.2 | P47 L54 L55 | P47-L51 WeakPolarHBondContact O-CB 3.18Å; P47-L51 PolarHBondContact O-N 3.4Å; L51-L54 PolarHBondContact O-N 2.93Å; L51-L55 HydrophobicContact CG-CD1 4.12Å; L51-L55 WeakPolarHBondContact O-CB 3.28Å; L51-L55 VanDerWaalsContact O-CG 3.26Å; L51-L55 WeakPolarHBondContact O-CG 3.34Å; L51-L55 PolarHBondContact O-N 3.4Å |
| 52 | T | 82.7 | Confident | 82.5 | Confident | 50 Ų | 50 | 86.6 Ų | 86.6 | 31% | 0.307 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 177.7 | 48.2 | 0 | 0 | 0 | 0 | 111.7 | H48 T49 L54 L55 H56 | H48-T52 WeakPolarHBondContact O-CB 3.41Å; H48-T52 WeakPolarHBondContact O-CG2 3.32Å; H48-T52 PolarHBondContact O-N 3.48Å; H48-T52 PolarHBondContact O-OG1 2.79Å; T49-T52 WeakPolarHBondContact CA-OG1 3.1Å; T49-T52 PolarHBondContact O-OG1 3.2Å; T52-L54 VanDerWaalsContact C-N 3.35Å; T52-L54 PolarHBondContact O-N 3.48Å; T52-L55 PolarHBondContact O-N 3.37Å; T52-H56 PolarHBondContact O-CD2 2.85Å; T52-H56 PolarHBondContact O-N 2.93Å |
| 53 | S | 78.6 | Confident | 82.5 | Confident | 82 Ų | 82 | 86.8 Ų | 86.8 | 57% | 0.573 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -58.5 | -45.8 | 174.3 | -177.1 | 0 | 0 | 0 | 0 | 112 | T49 V50 L55 H56 L57 | T49-S53 WeakPolarHBondContact O-CB 3.48Å; T49-S53 PolarHBondContact O-N 2.98Å; V50-S53 PolarHBondContact O-N 2.74Å; S53-L55 PolarHBondContact O-N 3.26Å; S53-H56 PolarHBondContact O-N 2.94Å; S53-L57 PolarHBondContact O-N 3.27Å |
| 54 | L | 80.4 | Confident | 82.5 | Confident | 91 Ų | 91 | 88.1 Ų | 88.1 | 48% | 0.476 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.9 | -35.9 | -179.7 | -153.6 | 136.7 | 0 | 0 | 0 | 112 | V50 L51 T52 G58 | V50-L54 WeakPolarHBondContact O-CB 3.37Å; V50-L54 PolarHBondContact O-N 3.38Å; L51-L54 PolarHBondContact O-N 2.93Å; T52-L54 VanDerWaalsContact C-N 3.35Å; T52-L54 PolarHBondContact O-N 3.48Å; L54-G58 PolarHBondContact O-N 3.21Å |
| 55 | L | 81.4 | Confident | 82.3 | Confident | 89 Ų | 89 | 81.7 Ų | 81.7 | 47% | 0.466 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 172.7 | -75.6 | 170.8 | 0 | 0 | 0 | 112.5 | L51 T52 S53 G58 R59 | L51-L55 HydrophobicContact CG-CD1 4.12Å; L51-L55 WeakPolarHBondContact O-CB 3.28Å; L51-L55 VanDerWaalsContact O-CG 3.26Å; L51-L55 WeakPolarHBondContact O-CG 3.34Å; L51-L55 PolarHBondContact O-N 3.4Å; T52-L55 PolarHBondContact O-N 3.37Å; S53-L55 PolarHBondContact O-N 3.26Å; L55-G58 PolarHBondContact O-N 3.45Å; L55-R59 WeakPolarHBondContact O-CB 3.49Å; L55-R59 VanDerWaalsContact O-CG 3.32Å; L55-R59 WeakPolarHBondContact O-CG 3.49Å; L55-R59 PolarHBondContact O-N 3.45Å |
| 56 | H | 81.3 | Confident | 82.3 | Confident | 129 Ų | 129 | 83 Ų | 83 | 60% | 0.597 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.8 | -43.7 | 175.9 | -80.3 | -67.4 | 0 | 0 | 0 | 111.7 | T52 S53 R59 G60 | T52-H56 PolarHBondContact O-CD2 2.85Å; T52-H56 PolarHBondContact O-N 2.93Å; S53-H56 PolarHBondContact O-N 2.94Å; H56-R59 PolarHBondContact O-N 2.88Å; H56-G60 PolarHBondContact O-N 3.2Å |
| 57 | L | 80.1 | Confident | 82.2 | Confident | 103 Ų | 103 | 84.2 Ų | 84.2 | 54% | 0.539 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 174.1 | -172.7 | 64.9 | 0 | 0 | 0 | 110.9 | S53 R59 G60 V61 | S53-L57 PolarHBondContact O-N 3.27Å; L57-R59 PolarHBondContact O-N 3.43Å; L57-G60 PolarHBondContact O-N 3.02Å; L57-V61 VanDerWaalsContact O-CG2 3.25Å; L57-V61 WeakPolarHBondContact O-CG2 3.39Å; L57-V61 PolarHBondContact O-N 2.9Å |
| 58 | G | 81.2 | Confident | 82.2 | Confident | 36 Ų | 36 | 83.8 Ų | 83.8 | 37% | 0.371 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.9 | -41.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L54 L55 V61 L62 | L54-G58 PolarHBondContact O-N 3.21Å; L55-G58 PolarHBondContact O-N 3.45Å; G58-V61 PolarHBondContact O-N 3.45Å; G58-L62 WeakPolarHBondContact O-CB 3.39Å; G58-L62 PolarHBondContact O-N 3.07Å |
| 59 | R | 84.2 | Confident | 82.2 | Confident | 159 Ų | 159 | 82.6 Ų | 82.6 | 60% | 0.6 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64 | -44.6 | 175 | -77.7 | 175.8 | 175.4 | 173.1 | -0.7 | 112.2 | L55 H56 L57 V61 L62 L63 | L55-R59 WeakPolarHBondContact O-CB 3.49Å; L55-R59 VanDerWaalsContact O-CG 3.32Å; L55-R59 WeakPolarHBondContact O-CG 3.49Å; L55-R59 PolarHBondContact O-N 3.45Å; H56-R59 PolarHBondContact O-N 2.88Å; L57-R59 PolarHBondContact O-N 3.43Å; R59-V61 VanDerWaalsContact C-N 3.35Å; R59-V61 PolarHBondContact O-N 2.84Å; R59-L62 PolarHBondContact O-N 3.38Å; R59-L63 VanDerWaalsContact O-CG 3.31Å; R59-L63 WeakPolarHBondContact O-CG 3.33Å; R59-L63 PolarHBondContact O-N 3.38Å |
| 60 | G | 78.9 | Confident | 82.3 | Confident | 41 Ų | 41 | 83.2 Ų | 83.2 | 42% | 0.423 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | H56 L57 L63 S64 | H56-G60 PolarHBondContact O-N 3.2Å; L57-G60 PolarHBondContact O-N 3.02Å; G60-L63 PolarHBondContact O-N 2.89Å; G60-S64 PolarHBondContact O-N 2.91Å |
| 61 | V | 81.7 | Confident | 82.2 | Confident | 23 Ų | 23 | 82.6 Ų | 82.6 | 14% | 0.139 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -60.5 | -49.9 | 174.6 | 169.7 | 0 | 0 | 0 | 0 | 111 | L57 G58 R59 L63 S64 L65 F187 | L57-V61 VanDerWaalsContact O-CG2 3.25Å; L57-V61 WeakPolarHBondContact O-CG2 3.39Å; L57-V61 PolarHBondContact O-N 2.9Å; G58-V61 PolarHBondContact O-N 3.45Å; R59-V61 VanDerWaalsContact C-N 3.35Å; R59-V61 PolarHBondContact O-N 2.84Å; V61-L63 VanDerWaalsContact C-N 3.31Å; V61-L63 PolarHBondContact O-N 3.43Å; V61-S64 WeakPolarHBondContact CA-OG 3.47Å; V61-S64 PolarHBondContact O-N 3.34Å; V61-S64 VanDerWaalsContact O-N 3.11Å; V61-S64 PolarHBondContact O-OG 3.34Å; V61-L65 HydrophobicContact CG1-CD1 3.83Å; V61-L65 HydrophobicContact CG1-CG 4.34Å; V61-L65 WeakPolarHBondContact O-CG 3.43Å; V61-L65 PolarHBondContact O-N 3.3Å; V61-F187 HydrophobicContact CB-CE1 4.02Å; V61-F187 HydrophobicContact CB-CZ 4.38Å; V61-F187 HydrophobicContact CG1-CD1 4.06Å; V61-F187 HydrophobicContact CG1-CE1 3.37Å; V61-F187 HydrophobicContact CG1-CZ 4.16Å; V61-F187 HydrophobicContact CG2-CE1 3.39Å; V61-F187 HydrophobicContact CG2-CZ 3.31Å |
| 62 | L | 83.8 | Confident | 82.1 | Confident | 118 Ų | 118 | 79 Ų | 79 | 62% | 0.618 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59.2 | -43.3 | -178.6 | -176.4 | 68.1 | 0 | 0 | 0 | 111.5 | G58 R59 L65 L66 | G58-L62 WeakPolarHBondContact O-CB 3.39Å; G58-L62 PolarHBondContact O-N 3.07Å; R59-L62 PolarHBondContact O-N 3.38Å; L62-L65 PolarHBondContact O-N 2.88Å; L62-L66 WeakPolarHBondContact O-CB 3.25Å; L62-L66 PolarHBondContact O-N 3.01Å |
| 63 | L | 84.6 | Confident | 82.1 | Confident | 121 Ų | 121 | 80.9 Ų | 80.9 | 63% | 0.634 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63 | -42 | 175.7 | -71.4 | 170.3 | 0 | 0 | 0 | 111.8 | R59 G60 V61 L66 A67 | R59-L63 VanDerWaalsContact O-CG 3.31Å; R59-L63 WeakPolarHBondContact O-CG 3.33Å; R59-L63 PolarHBondContact O-N 3.38Å; G60-L63 PolarHBondContact O-N 2.89Å; V61-L63 VanDerWaalsContact C-N 3.31Å; V61-L63 PolarHBondContact O-N 3.43Å; L63-L66 PolarHBondContact O-N 3.46Å; L63-A67 WeakPolarHBondContact O-CB 3.43Å; L63-A67 PolarHBondContact O-N 2.91Å |
| 64 | S | 80.7 | Confident | 82.3 | Confident | 70 Ų | 70 | 85 Ų | 85 | 49% | 0.49 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 177.4 | 72.5 | 0 | 0 | 0 | 0 | 112.6 | G60 V61 A67 L68 | G60-S64 PolarHBondContact O-N 2.91Å; V61-S64 WeakPolarHBondContact CA-OG 3.47Å; V61-S64 PolarHBondContact O-N 3.34Å; V61-S64 VanDerWaalsContact O-N 3.11Å; V61-S64 PolarHBondContact O-OG 3.34Å; S64-A67 PolarHBondContact O-N 2.93Å; S64-L68 WeakPolarHBondContact O-CB 3.5Å; S64-L68 PolarHBondContact O-N 3.47Å |
| 65 | L | 82.4 | Confident | 82.3 | Confident | 48 Ų | 48 | 87.1 Ų | 87.1 | 25% | 0.251 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 175.2 | -75.4 | 172.7 | 0 | 0 | 0 | 111.3 | V61 L62 L68 I69 V184 | V61-L65 HydrophobicContact CG1-CD1 3.83Å; V61-L65 HydrophobicContact CG1-CG 4.34Å; V61-L65 WeakPolarHBondContact O-CG 3.43Å; V61-L65 PolarHBondContact O-N 3.3Å; L62-L65 PolarHBondContact O-N 2.88Å; L65-L68 WeakPolarHBondContact O-CB 3.21Å; L65-L68 PolarHBondContact O-N 2.82Å; L65-I69 VanDerWaalsContact O-CG1 3.27Å; L65-I69 WeakPolarHBondContact O-CG1 3.29Å; L65-I69 PolarHBondContact O-N 3.39Å; L65-V184 HydrophobicContact CD2-CG2 3.42Å; L65-V184 VanDerWaalsContact CD2-CG2 3.42Å |
| 66 | L | 85.2 | Confident | 82.1 | Confident | 107 Ų | 107 | 84.7 Ų | 84.7 | 56% | 0.56 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.1 | -43.2 | 177.7 | -171 | 67.3 | 0 | 0 | 0 | 111.4 | L62 L63 L68 I69 E70 | L62-L66 WeakPolarHBondContact O-CB 3.25Å; L62-L66 PolarHBondContact O-N 3.01Å; L63-L66 PolarHBondContact O-N 3.46Å; L66-L68 VanDerWaalsContact C-N 3.31Å; L66-L68 PolarHBondContact O-N 2.94Å; L66-I69 PolarHBondContact O-N 3.08Å; L66-E70 WeakPolarHBondContact O-CB 3.45Å; L66-E70 PolarHBondContact O-N 3.18Å |
| 67 | A | 83.7 | Confident | 82.1 | Confident | 57 Ų | 57 | 81.9 Ų | 81.9 | 47% | 0.471 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L63 S64 E70 A71 | L63-A67 WeakPolarHBondContact O-CB 3.43Å; L63-A67 PolarHBondContact O-N 2.91Å; S64-A67 PolarHBondContact O-N 2.93Å; A67-E70 PolarHBondContact O-N 3.2Å; A67-A71 WeakPolarHBondContact O-CB 3.34Å; A67-A71 PolarHBondContact O-N 2.8Å |
| 68 | L | 83.1 | Confident | 82 | Confident | 65 Ų | 65 | 78.9 Ų | 78.9 | 34% | 0.34 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67 | -45.1 | 176.4 | -169.6 | 65.6 | 0 | 0 | 0 | 111.8 | S64 L65 L66 E70 A71 V72 M180 | S64-L68 WeakPolarHBondContact O-CB 3.5Å; S64-L68 PolarHBondContact O-N 3.47Å; L65-L68 WeakPolarHBondContact O-CB 3.21Å; L65-L68 PolarHBondContact O-N 2.82Å; L66-L68 VanDerWaalsContact C-N 3.31Å; L66-L68 PolarHBondContact O-N 2.94Å; L68-E70 VanDerWaalsContact C-N 3.33Å; L68-E70 PolarHBondContact O-N 2.7Å; L68-A71 PolarHBondContact O-N 3.26Å; L68-V72 WeakPolarHBondContact O-CG2 3.23Å; L68-V72 PolarHBondContact O-N 3.25Å; L68-M180 HydrophobicContact CD1-CE 3.88Å; L68-M180 HydrophobicContact CD1-SD 4.32Å; L68-M180 HydrophobicContact CD2-CE 4.17Å; L68-M180 HydrophobicContact CD2-CG 4.06Å; L68-M180 HydrophobicContact CD2-SD 3.48Å; L68-M180 WeakPolarHBondContact CD2-SD 3.37Å; L68-M180 HydrophobicContact CG-CE 4.26Å; L68-M180 HydrophobicContact CG-CG 4.46Å; L68-M180 HydrophobicContact CG-SD 4.15Å |
| 69 | I | 81.6 | Confident | 81.8 | Confident | 93 Ų | 93 | 78.1 Ų | 78.1 | 48% | 0.477 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 174.9 | -69.9 | 165.6 | 0 | 0 | 0 | 110 | L65 L66 A71 V72 I73 | L65-I69 VanDerWaalsContact O-CG1 3.27Å; L65-I69 WeakPolarHBondContact O-CG1 3.29Å; L65-I69 PolarHBondContact O-N 3.39Å; L66-I69 PolarHBondContact O-N 3.08Å; I69-A71 VanDerWaalsContact C-N 3.33Å; I69-A71 PolarHBondContact O-N 3.26Å; I69-V72 PolarHBondContact O-N 2.97Å; I69-I73 HydrophobicContact CG2-CD1 3.66Å; I69-I73 HydrophobicContact CG2-CG1 4.27Å; I69-I73 VanDerWaalsContact O-CG1 3.29Å; I69-I73 WeakPolarHBondContact O-CG1 3.3Å; I69-I73 PolarHBondContact O-N 3.28Å |
| 70 | E | 86.1 | Confident | 81.6 | Confident | 93 Ų | 93 | 75.3 Ų | 75.3 | 44% | 0.435 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 177.5 | -175 | 175.4 | -166.4 | 0 | 0 | 111.8 | L66 A67 L68 V72 I73 R74 | L66-E70 WeakPolarHBondContact O-CB 3.45Å; L66-E70 PolarHBondContact O-N 3.18Å; A67-E70 PolarHBondContact O-N 3.2Å; L68-E70 VanDerWaalsContact C-N 3.33Å; L68-E70 PolarHBondContact O-N 2.7Å; E70-V72 PolarHBondContact O-N 3.31Å; E70-I73 PolarHBondContact O-N 3.5Å; E70-R74 WeakPolarHBondContact O-CG 3.48Å; E70-R74 PolarHBondContact O-N 3.05Å; E70-R74 IonicContact OE1-CZ 2.63Å; E70-R74 IonicContact OE1-NE 2.92Å; E70-R74 PolarHBondContact OE1-NE 3.45Å; E70-R74 IonicContact OE1-NH2 3.43Å; E70-R74 PolarHBondContact OE1-NH2 3.25Å |
| 71 | A | 81.1 | Confident | 81.8 | Confident | 57 Ų | 57 | 79.9 Ų | 79.9 | 47% | 0.471 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | A67 L68 I69 R74 F75 | A67-A71 WeakPolarHBondContact O-CB 3.34Å; A67-A71 PolarHBondContact O-N 2.8Å; L68-A71 PolarHBondContact O-N 3.26Å; I69-A71 VanDerWaalsContact C-N 3.33Å; I69-A71 PolarHBondContact O-N 3.26Å; A71-R74 PolarHBondContact O-N 3.35Å; A71-F75 WeakPolarHBondContact O-CB 3.48Å; A71-F75 PolarHBondContact O-N 3.25Å |
| 72 | V | 81.3 | Confident | 81.5 | Confident | 26 Ų | 26 | 81.1 Ų | 81.1 | 16% | 0.158 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 175.6 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | L68 I69 E70 R74 F75 T76 L177 | L68-V72 WeakPolarHBondContact O-CG2 3.23Å; L68-V72 PolarHBondContact O-N 3.25Å; I69-V72 PolarHBondContact O-N 2.97Å; E70-V72 PolarHBondContact O-N 3.31Å; V72-R74 PolarHBondContact O-N 2.68Å; V72-F75 PolarHBondContact O-N 3.5Å; V72-T76 HydrophobicContact CG1-CG2 4.15Å; V72-T76 WeakPolarHBondContact O-CG2 3.48Å; V72-T76 PolarHBondContact O-N 3.05Å; V72-T76 PolarHBondContact O-OG1 2.94Å; V72-L177 HydrophobicContact CG1-CD2 3.89Å; V72-L177 HydrophobicContact CG1-CG 4.28Å |
| 73 | I | 82.4 | Confident | 81.3 | Confident | 91 Ų | 91 | 76.4 Ų | 76.4 | 47% | 0.467 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.9 | -48.9 | 177.6 | -69.4 | 168.4 | 0 | 0 | 0 | 110.3 | I69 E70 F75 T76 C77 | I69-I73 HydrophobicContact CG2-CD1 3.66Å; I69-I73 HydrophobicContact CG2-CG1 4.27Å; I69-I73 VanDerWaalsContact O-CG1 3.29Å; I69-I73 WeakPolarHBondContact O-CG1 3.3Å; I69-I73 PolarHBondContact O-N 3.28Å; E70-I73 PolarHBondContact O-N 3.5Å; I73-F75 VanDerWaalsContact C-N 3.31Å; I73-F75 PolarHBondContact O-N 2.91Å; I73-T76 WeakPolarHBondContact CA-OG1 3.48Å; I73-T76 PolarHBondContact O-N 3.5Å; I73-T76 PolarHBondContact O-OG1 2.89Å; I73-C77 WeakPolarHBondContact O-CB 3.49Å; I73-C77 PolarHBondContact O-N 2.96Å |
| 74 | R | 82.8 | Confident | 81 | Confident | 167 Ų | 167 | 74.1 Ų | 74.1 | 63% | 0.63 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60.4 | -40.9 | 178.2 | -71.4 | -179.7 | -171.7 | 178.3 | 1.6 | 112.1 | E70 A71 V72 G78 | E70-R74 WeakPolarHBondContact O-CG 3.48Å; E70-R74 PolarHBondContact O-N 3.05Å; E70-R74 IonicContact OE1-CZ 2.63Å; E70-R74 IonicContact OE1-NE 2.92Å; E70-R74 PolarHBondContact OE1-NE 3.45Å; E70-R74 IonicContact OE1-NH2 3.43Å; E70-R74 PolarHBondContact OE1-NH2 3.25Å; A71-R74 PolarHBondContact O-N 3.35Å; V72-R74 PolarHBondContact O-N 2.68Å; R74-G78 PolarHBondContact O-N 3.27Å |
| 75 | F | 80.1 | Confident | 81 | Confident | 136 Ų | 136 | 74.8 Ų | 74.8 | 60% | 0.596 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.7 | -46.5 | 175.8 | -177.4 | -99.2 | 0 | 0 | 0 | 111.8 | A71 V72 I73 G78 G79 | A71-F75 WeakPolarHBondContact O-CB 3.48Å; A71-F75 PolarHBondContact O-N 3.25Å; V72-F75 PolarHBondContact O-N 3.5Å; I73-F75 VanDerWaalsContact C-N 3.31Å; I73-F75 PolarHBondContact O-N 2.91Å; F75-G78 PolarHBondContact O-N 3.45Å; F75-G79 PolarHBondContact O-N 2.95Å |
| 76 | T | 77.9 | Confident | 80.8 | Confident | 38 Ų | 38 | 77.3 Ų | 77.3 | 23% | 0.233 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 178.9 | 61.4 | 0 | 0 | 0 | 0 | 112.3 | V72 I73 G78 G79 L80 V173 | V72-T76 HydrophobicContact CG1-CG2 4.15Å; V72-T76 WeakPolarHBondContact O-CG2 3.48Å; V72-T76 PolarHBondContact O-N 3.05Å; V72-T76 PolarHBondContact O-OG1 2.94Å; I73-T76 WeakPolarHBondContact CA-OG1 3.48Å; I73-T76 PolarHBondContact O-N 3.5Å; I73-T76 PolarHBondContact O-OG1 2.89Å; T76-G78 PolarHBondContact O-N 2.94Å; T76-G79 PolarHBondContact O-N 3.34Å; T76-L80 WeakPolarHBondContact O-CB 3.15Å; T76-L80 PolarHBondContact O-N 2.92Å; T76-V173 HydrophobicContact CG2-CB 4.23Å; T76-V173 HydrophobicContact CG2-CG1 3.57Å; T76-V173 HydrophobicContact CG2-CG2 3.7Å |
| 77 | C | 80.5 | Confident | 80.5 | Confident | 71 Ų | 71 | 75.2 Ų | 75.2 | 48% | 0.48 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 176.3 | -74.8 | 0 | 0 | 0 | 0 | 111.5 | I73 L80 Q81 | I73-C77 WeakPolarHBondContact O-CB 3.49Å; I73-C77 PolarHBondContact O-N 2.96Å; C77-L80 PolarHBondContact O-N 2.94Å; C77-Q81 VanDerWaalsContact O-CB 3.31Å; C77-Q81 WeakPolarHBondContact O-CB 3.3Å; C77-Q81 PolarHBondContact O-N 3.39Å |
| 78 | G | 79.8 | Confident | 80.2 | Confident | 39 Ų | 39 | 81.2 Ų | 81.2 | 40% | 0.402 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R74 F75 T76 Q81 A82 | R74-G78 PolarHBondContact O-N 3.27Å; F75-G78 PolarHBondContact O-N 3.45Å; T76-G78 PolarHBondContact O-N 2.94Å; G78-Q81 PolarHBondContact O-N 2.86Å; G78-A82 PolarHBondContact O-N 2.89Å |
| 79 | G | 76.9 | Confident | 79.8 | Confident | 20 Ų | 20 | 81.9 Ų | 81.9 | 21% | 0.206 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F75 T76 A82 L83 | F75-G79 PolarHBondContact O-N 2.95Å; T76-G79 PolarHBondContact O-N 3.34Å; G79-A82 PolarHBondContact O-N 3.49Å; G79-L83 PolarHBondContact O-N 3.48Å |
| 80 | L | 79.4 | Confident | 79.4 | Confident | 100 Ų | 100 | 79.9 Ų | 79.9 | 52% | 0.524 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 177.7 | -167.3 | 71.9 | 0 | 0 | 0 | 111.7 | T76 C77 L83 C84 | T76-L80 WeakPolarHBondContact O-CB 3.15Å; T76-L80 PolarHBondContact O-N 2.92Å; C77-L80 PolarHBondContact O-N 2.94Å; L80-L83 HydrophobicContact CD1-CD2 4.5Å; L80-L83 WeakPolarHBondContact O-CB 3.33Å; L80-L83 PolarHBondContact O-N 3.48Å; L80-C84 PolarHBondContact O-N 2.98Å |
| 81 | Q | 82 | Confident | 78.9 | Confident | 138 Ų | 138 | 78.9 Ų | 78.9 | 65% | 0.645 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64 | -43 | 176.2 | -173.7 | 168.8 | -8.6 | 0 | 0 | 111.3 | C77 G78 L83 C84 T85 | C77-Q81 VanDerWaalsContact O-CB 3.31Å; C77-Q81 WeakPolarHBondContact O-CB 3.3Å; C77-Q81 PolarHBondContact O-N 3.39Å; G78-Q81 PolarHBondContact O-N 2.86Å; Q81-L83 VanDerWaalsContact C-N 3.33Å; Q81-L83 PolarHBondContact O-N 2.92Å; Q81-C84 PolarHBondContact O-N 2.98Å; Q81-T85 WeakPolarHBondContact O-CG2 3.45Å; Q81-T85 PolarHBondContact O-N 3.36Å; Q81-T85 PolarHBondContact O-OG1 3.42Å |
| 82 | A | 76.1 | Confident | 78.6 | Confident | 48 Ų | 48 | 79 Ų | 79 | 40% | 0.397 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G78 G79 C84 T85 L86 | G78-A82 PolarHBondContact O-N 2.89Å; G79-A82 PolarHBondContact O-N 3.49Å; A82-C84 PolarHBondContact O-N 2.69Å; A82-T85 WeakPolarHBondContact CA-OG1 3.29Å; A82-T85 PolarHBondContact O-N 3.46Å; A82-T85 PolarHBondContact O-OG1 3.39Å; A82-L86 PolarHBondContact O-N 2.9Å |
| 83 | L | 79.7 | Confident | 78.2 | Confident | 20 Ų | 20 | 79.2 Ų | 79.2 | 11% | 0.105 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 175.4 | -175.5 | 69.2 | 0 | 0 | 0 | 112 | G79 L80 Q81 T85 L86 L87 L165 V166 L169 | G79-L83 PolarHBondContact O-N 3.48Å; L80-L83 HydrophobicContact CD1-CD2 4.5Å; L80-L83 WeakPolarHBondContact O-CB 3.33Å; L80-L83 PolarHBondContact O-N 3.48Å; Q81-L83 VanDerWaalsContact C-N 3.33Å; Q81-L83 PolarHBondContact O-N 2.92Å; L83-T85 VanDerWaalsContact C-N 3.31Å; L83-T85 PolarHBondContact O-N 2.89Å; L83-L86 PolarHBondContact O-N 2.9Å; L83-L87 HydrophobicContact CG-CD1 4.25Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 PolarHBondContact O-N 2.79Å; L83-L165 HydrophobicContact CD1-CD2 3.41Å; L83-L165 VanDerWaalsContact CD1-CD2 3.41Å; L83-L165 HydrophobicContact CD1-CG 3.91Å; L83-V166 HydrophobicContact CD2-CG2 4.17Å; L83-L169 HydrophobicContact CD2-CD2 4.21Å |
| 84 | C | 78.7 | Confident | 77.6 | Confident | 72 Ų | 72 | 79.6 Ų | 79.6 | 49% | 0.486 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.8 | -40.6 | 175.8 | -78.3 | 0 | 0 | 0 | 0 | 112 | L80 Q81 A82 L87 Y88 | L80-C84 PolarHBondContact O-N 2.98Å; Q81-C84 PolarHBondContact O-N 2.98Å; A82-C84 PolarHBondContact O-N 2.69Å; C84-L87 PolarHBondContact O-N 3.4Å; C84-Y88 WeakPolarHBondContact O-CB 3.48Å; C84-Y88 PolarHBondContact O-N 3.15Å |
| 85 | T | 80 | Confident | 77.2 | Confident | 85 Ų | 85 | 78.2 Ų | 78.2 | 52% | 0.521 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.2 | -37.7 | 177.1 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | Q81 A82 L83 Y88 S89 | Q81-T85 WeakPolarHBondContact O-CG2 3.45Å; Q81-T85 PolarHBondContact O-N 3.36Å; Q81-T85 PolarHBondContact O-OG1 3.42Å; A82-T85 WeakPolarHBondContact CA-OG1 3.29Å; A82-T85 PolarHBondContact O-N 3.46Å; A82-T85 PolarHBondContact O-OG1 3.39Å; L83-T85 VanDerWaalsContact C-N 3.31Å; L83-T85 PolarHBondContact O-N 2.89Å; T85-Y88 PolarHBondContact O-N 2.98Å; T85-S89 WeakPolarHBondContact O-CB 3.33Å; T85-S89 PolarHBondContact O-N 2.98Å |
| 86 | L | 78.6 | Confident | 76.9 | Confident | 101 Ų | 101 | 75.1 Ų | 75.1 | 53% | 0.529 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 174 | -83.2 | 164.5 | 0 | 0 | 0 | 111.5 | A82 L83 S89 C90 L165 | A82-L86 PolarHBondContact O-N 2.9Å; L83-L86 PolarHBondContact O-N 2.9Å; L86-S89 PolarHBondContact O-N 3.34Å; L86-C90 WeakPolarHBondContact O-CB 3.49Å; L86-C90 PolarHBondContact O-N 2.99Å; L86-L165 HydrophobicContact CD1-CD2 4Å |
| 87 | L | 78.1 | Confident | 76.4 | Confident | 63 Ų | 63 | 76 Ų | 76 | 33% | 0.33 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 174.5 | -86.1 | 165.5 | 0 | 0 | 0 | 111.5 | L83 C84 S89 C90 C91 L162 | L83-L87 HydrophobicContact CG-CD1 4.25Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 PolarHBondContact O-N 2.79Å; C84-L87 PolarHBondContact O-N 3.4Å; L87-S89 VanDerWaalsContact C-N 3.35Å; L87-S89 PolarHBondContact O-N 2.97Å; L87-C90 WeakPolarHBondContact O-CB 3.45Å; L87-C90 PolarHBondContact O-N 3.5Å; L87-C91 PolarHBondContact O-N 3.11Å; L87-C91 PolarHBondContact O-SG 3.28Å; L87-C91 VanDerWaalsContact O-SG 3.33Å; L87-L162 HydrophobicContact CD2-CD1 3.37Å; L87-L162 HydrophobicContact CD2-CD2 3.91Å; L87-L162 HydrophobicContact CD2-CG 4.25Å; L87-L162 HydrophobicContact CG-CD1 3.89Å |
| 88 | Y | 78.6 | Confident | 76.1 | Confident | 183 Ų | 183 | 79.6 Ų | 79.6 | 72% | 0.718 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -60.7 | -43.6 | 177.3 | -174.8 | -95.8 | 0 | 0 | 0 | 112 | C84 T85 C90 C91 S92 | C84-Y88 WeakPolarHBondContact O-CB 3.48Å; C84-Y88 PolarHBondContact O-N 3.15Å; T85-Y88 PolarHBondContact O-N 2.98Å; Y88-C90 VanDerWaalsContact C-N 3.32Å; Y88-C90 PolarHBondContact O-N 2.9Å; Y88-C91 PolarHBondContact O-N 3.25Å; Y88-S92 PolarHBondContact O-N 3.26Å |
| 89 | S | 74.9 | Confident | 76 | Confident | 79 Ų | 79 | 83.4 Ų | 83.4 | 55% | 0.552 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.5 | -39.8 | 174.8 | -179.2 | 0 | 0 | 0 | 0 | 112.1 | T85 L86 L87 S92 G93 | T85-S89 WeakPolarHBondContact O-CB 3.33Å; T85-S89 PolarHBondContact O-N 2.98Å; L86-S89 PolarHBondContact O-N 3.34Å; L87-S89 VanDerWaalsContact C-N 3.35Å; L87-S89 PolarHBondContact O-N 2.97Å; S89-S92 PolarHBondContact O-N 3.33Å; S89-G93 PolarHBondContact O-N 3.18Å |
| 90 | C | 73.3 | Confident | 75.8 | Confident | 50 Ų | 50 | 87.8 Ų | 87.8 | 34% | 0.338 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 175.6 | -164.7 | 0 | 0 | 0 | 0 | 112 | L86 L87 Y88 S92 G93 L94 S158 | L86-C90 WeakPolarHBondContact O-CB 3.49Å; L86-C90 PolarHBondContact O-N 2.99Å; L87-C90 WeakPolarHBondContact O-CB 3.45Å; L87-C90 PolarHBondContact O-N 3.5Å; Y88-C90 VanDerWaalsContact C-N 3.32Å; Y88-C90 PolarHBondContact O-N 2.9Å; C90-S92 PolarHBondContact O-N 3.15Å; C90-G93 WeakPolarHBondContact O-CA 3.28Å; C90-G93 PolarHBondContact O-N 3.38Å; C90-G93 VanDerWaalsContact O-N 3.15Å; C90-L94 PolarHBondContact O-N 3.38Å; C90-S158 PolarHBondContact SG-OG 3.45Å |
| 91 | C | 74.4 | Confident | 75.5 | Confident | 72 Ų | 72 | 85 Ų | 85 | 49% | 0.486 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 174.5 | -70.1 | 0 | 0 | 0 | 0 | 112.1 | L87 Y88 G93 L94 E95 | L87-C91 PolarHBondContact O-N 3.11Å; L87-C91 PolarHBondContact O-SG 3.28Å; L87-C91 VanDerWaalsContact O-SG 3.33Å; Y88-C91 PolarHBondContact O-N 3.25Å; C91-G93 VanDerWaalsContact C-N 3.31Å; C91-G93 PolarHBondContact O-N 2.97Å; C91-L94 WeakPolarHBondContact O-CB 3.36Å; C91-L94 PolarHBondContact O-N 3.49Å; C91-L94 VanDerWaalsContact O-N 3.1Å; C91-E95 PolarHBondContact O-N 3.49Å |
| 92 | S | 75.2 | Confident | 75.2 | Confident | 59 Ų | 59 | 83.9 Ų | 83.9 | 41% | 0.413 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 174.5 | -172.7 | 0 | 0 | 0 | 0 | 111.9 | Y88 S89 C90 L94 E95 S96 | Y88-S92 PolarHBondContact O-N 3.26Å; S89-S92 PolarHBondContact O-N 3.33Å; C90-S92 PolarHBondContact O-N 3.15Å; S92-L94 VanDerWaalsContact C-N 3.33Å; S92-L94 PolarHBondContact O-N 3.37Å; S92-E95 WeakPolarHBondContact O-CB 3.4Å; S92-E95 PolarHBondContact O-N 2.97Å; S92-S96 PolarHBondContact O-N 2.71Å; S92-S96 VanDerWaalsContact O-N 3.09Å |
| 93 | G | 72.9 | Confident | 75.2 | Confident | 31 Ų | 31 | 87.5 Ų | 87.5 | 32% | 0.32 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.3 | -42.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S89 C90 C91 E95 S96 L97 | S89-G93 PolarHBondContact O-N 3.18Å; C90-G93 WeakPolarHBondContact O-CA 3.28Å; C90-G93 PolarHBondContact O-N 3.38Å; C90-G93 VanDerWaalsContact O-N 3.15Å; C91-G93 VanDerWaalsContact C-N 3.31Å; C91-G93 PolarHBondContact O-N 2.97Å; G93-E95 VanDerWaalsContact C-N 3.34Å; G93-E95 PolarHBondContact O-N 3.48Å; G93-S96 PolarHBondContact O-N 3.48Å; G93-S96 PolarHBondContact O-OG 2.95Å; G93-L97 PolarHBondContact O-N 3.42Å; G93-L97 VanDerWaalsContact O-N 3.13Å |
| 94 | L | 69.9 | Low | 74.7 | Confident | 100 Ų | 100 | 89.6 Ų | 89.6 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.3 | -34.7 | 175.7 | -70.2 | 168.5 | 0 | 0 | 0 | 112.8 | C90 C91 S92 L97 K98 | C90-L94 PolarHBondContact O-N 3.38Å; C91-L94 WeakPolarHBondContact O-CB 3.36Å; C91-L94 PolarHBondContact O-N 3.49Å; C91-L94 VanDerWaalsContact O-N 3.1Å; S92-L94 VanDerWaalsContact C-N 3.33Å; S92-L94 PolarHBondContact O-N 3.37Å; L94-L97 HydrophobicContact CD2-CD1 4.4Å; L94-L97 VanDerWaalsContact O-CB 3.28Å; L94-L97 WeakPolarHBondContact O-CB 3.27Å; L94-L97 PolarHBondContact O-N 3.32Å; L94-K98 PolarHBondContact O-N 3.09Å |
| 95 | E | 74.8 | Confident | 74.5 | Confident | 137 Ų | 137 | 88.6 Ų | 88.6 | 64% | 0.64 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.6 | -40.4 | 172.9 | -71.7 | -174.6 | 156.3 | 0 | 0 | 112 | C91 S92 G93 L97 K98 L99 | C91-E95 PolarHBondContact O-N 3.49Å; S92-E95 WeakPolarHBondContact O-CB 3.4Å; S92-E95 PolarHBondContact O-N 2.97Å; G93-E95 VanDerWaalsContact C-N 3.34Å; G93-E95 PolarHBondContact O-N 3.48Å; E95-L97 PolarHBondContact O-N 3.46Å; E95-K98 VanDerWaalsContact O-CB 3.3Å; E95-K98 WeakPolarHBondContact O-CB 3.4Å; E95-K98 PolarHBondContact O-N 3.05Å; E95-K98 VanDerWaalsContact O-N 3.09Å; E95-L99 PolarHBondContact O-N 3.24Å; E95-L99 VanDerWaalsContact O-N 3.17Å |
| 96 | S | 72.5 | Confident | 74.1 | Confident | 71 Ų | 71 | 91.1 Ų | 91.1 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -32 | 173.9 | 70.2 | 0 | 0 | 0 | 0 | 112.8 | S92 G93 L99 L100 | S92-S96 PolarHBondContact O-N 2.71Å; S92-S96 VanDerWaalsContact O-N 3.09Å; G93-S96 PolarHBondContact O-N 3.48Å; G93-S96 PolarHBondContact O-OG 2.95Å; S96-L99 WeakPolarHBondContact O-CB 3.22Å; S96-L99 PolarHBondContact O-N 2.91Å; S96-L100 PolarHBondContact O-N 3.24Å |
| 97 | L | 68 | Low | 73.8 | Confident | 57 Ų | 57 | 88.2 Ų | 88.2 | 30% | 0.298 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.6 | -34.8 | 172.3 | -104 | 152.4 | 0 | 0 | 0 | 112.8 | G93 L94 E95 L99 L100 G101 L151 | G93-L97 PolarHBondContact O-N 3.42Å; G93-L97 VanDerWaalsContact O-N 3.13Å; L94-L97 HydrophobicContact CD2-CD1 4.4Å; L94-L97 VanDerWaalsContact O-CB 3.28Å; L94-L97 WeakPolarHBondContact O-CB 3.27Å; L94-L97 PolarHBondContact O-N 3.32Å; E95-L97 PolarHBondContact O-N 3.46Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L100 WeakPolarHBondContact O-CB 3.45Å; L97-L100 PolarHBondContact O-N 2.92Å; L97-G101 PolarHBondContact O-N 3.38Å; L97-L151 HydrophobicContact CD2-CD2 3.22Å |
| 98 | K | 75.5 | Confident | 73.3 | Confident | 146 Ų | 146 | 87.9 Ų | 87.9 | 64% | 0.635 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.1 | -40.1 | 173.1 | -167.2 | 177.2 | -179.2 | 174.6 | 0 | 111.6 | L94 E95 G101 H102 | L94-K98 PolarHBondContact O-N 3.09Å; E95-K98 VanDerWaalsContact O-CB 3.3Å; E95-K98 WeakPolarHBondContact O-CB 3.4Å; E95-K98 PolarHBondContact O-N 3.05Å; E95-K98 VanDerWaalsContact O-N 3.09Å; K98-G101 PolarHBondContact O-N 2.91Å; K98-H102 PolarHBondContact O-CD2 3.35Å; K98-H102 PolarHBondContact O-N 3.29Å |
| 99 | L | 76.3 | Confident | 72.9 | Confident | 119 Ų | 119 | 84.1 Ų | 84.1 | 62% | 0.623 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.1 | -43 | 172.6 | -106.6 | 151.5 | 0 | 0 | 0 | 112 | E95 S96 L97 G101 H102 L103 | E95-L99 PolarHBondContact O-N 3.24Å; E95-L99 VanDerWaalsContact O-N 3.17Å; S96-L99 WeakPolarHBondContact O-CB 3.22Å; S96-L99 PolarHBondContact O-N 2.91Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L99-G101 VanDerWaalsContact C-N 3.3Å; L99-G101 PolarHBondContact O-N 3.13Å; L99-H102 PolarHBondContact O-N 3.05Å; L99-L103 PolarHBondContact O-N 2.97Å |
| 100 | L | 73.1 | Confident | 72.8 | Confident | 112 Ų | 112 | 88.9 Ų | 88.9 | 59% | 0.586 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.8 | -38.6 | 173.6 | -167.7 | 68.8 | 0 | 0 | 0 | 111.7 | S96 L97 L103 A104 | S96-L100 PolarHBondContact O-N 3.24Å; L97-L100 WeakPolarHBondContact O-CB 3.45Å; L97-L100 PolarHBondContact O-N 2.92Å; L100-L103 WeakPolarHBondContact O-CB 3.36Å; L100-L103 PolarHBondContact O-N 3.45Å; L100-A104 WeakPolarHBondContact O-CB 3.26Å; L100-A104 PolarHBondContact O-N 3.36Å |
| 101 | G | 73.9 | Confident | 72.2 | Confident | 41 Ų | 41 | 89.7 Ų | 89.7 | 42% | 0.423 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L97 K98 L99 A104 S105 | L97-G101 PolarHBondContact O-N 3.38Å; K98-G101 PolarHBondContact O-N 2.91Å; L99-G101 VanDerWaalsContact C-N 3.3Å; L99-G101 PolarHBondContact O-N 3.13Å; G101-A104 PolarHBondContact O-N 3.35Å; G101-S105 PolarHBondContact O-N 2.93Å |
| 102 | H | 75.3 | Confident | 71.8 | Confident | 116 Ų | 116 | 95.1 Ų | 95.1 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 173.9 | -81.4 | -60.3 | 0 | 0 | 0 | 112 | K98 L99 A104 S105 H106 | K98-H102 PolarHBondContact O-CD2 3.35Å; K98-H102 PolarHBondContact O-N 3.29Å; L99-H102 PolarHBondContact O-N 3.05Å; H102-A104 PolarHBondContact O-N 3.36Å; H102-S105 PolarHBondContact O-N 3.35Å; H102-S105 PolarHBondContact O-OG 2.89Å; H102-H106 PolarHBondContact O-N 3.36Å |
| 103 | L | 74.8 | Confident | 71.4 | Confident | 123 Ų | 123 | 98.4 Ų | 98.4 | 64% | 0.644 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.2 | -44.3 | 173.8 | -105.6 | 155.3 | 0 | 0 | 0 | 112.3 | L99 L100 H106 G107 | L99-L103 PolarHBondContact O-N 2.97Å; L100-L103 WeakPolarHBondContact O-CB 3.36Å; L100-L103 PolarHBondContact O-N 3.45Å; L103-H106 PolarHBondContact O-N 3.44Å; L103-G107 PolarHBondContact O-N 3.18Å |
| 104 | A | 70.9 | Confident | 71 | Confident | 65 Ų | 65 | 102.3 Ų | 102.3 | 54% | 0.537 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | L100 G101 H102 G107 A108 | L100-A104 WeakPolarHBondContact O-CB 3.26Å; L100-A104 PolarHBondContact O-N 3.36Å; G101-A104 PolarHBondContact O-N 3.35Å; H102-A104 PolarHBondContact O-N 3.36Å; A104-G107 PolarHBondContact O-N 2.94Å; A104-A108 WeakPolarHBondContact O-CB 3.41Å; A104-A108 PolarHBondContact O-N 3.3Å |
| 105 | S | 73.3 | Confident | 70.6 | Confident | 51 Ų | 51 | 101.4 Ų | 101.4 | 36% | 0.357 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 177.2 | 74.9 | 0 | 0 | 0 | 0 | 112.5 | G101 H102 A108 L109 | G101-S105 PolarHBondContact O-N 2.93Å; H102-S105 PolarHBondContact O-N 3.35Å; H102-S105 PolarHBondContact O-OG 2.89Å; S105-A108 PolarHBondContact O-N 3.26Å; S105-L109 PolarHBondContact O-N 3.15Å |
| 106 | H | 72.3 | Confident | 70 | Confident | 137 Ų | 137 | 100.9 Ų | 100.9 | 63% | 0.634 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.8 | -39.8 | 173.9 | -109.8 | -80.8 | 0 | 0 | 0 | 111.5 | H102 L103 A108 L109 R110 | H102-H106 PolarHBondContact O-N 3.36Å; L103-H106 PolarHBondContact O-N 3.44Å; H106-A108 VanDerWaalsContact C-N 3.34Å; H106-L109 PolarHBondContact O-N 3.34Å; H106-R110 WeakPolarHBondContact O-CB 3.41Å; H106-R110 PolarHBondContact O-N 2.83Å |
| 107 | G | 72.1 | Confident | 69.6 | Low | 40 Ų | 40 | 107.1 Ų | 107.1 | 41% | 0.412 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L103 A104 R110 S111 | L103-G107 PolarHBondContact O-N 3.18Å; A104-G107 PolarHBondContact O-N 2.94Å; G107-R110 PolarHBondContact O-N 3.07Å; G107-S111 WeakPolarHBondContact O-CB 3.23Å; G107-S111 PolarHBondContact O-N 3.33Å; G107-S111 PolarHBondContact O-OG 3.31Å |
| 108 | A | 67.9 | Low | 69.4 | Low | 56 Ų | 56 | 105.9 Ų | 105.9 | 46% | 0.463 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.2 | -41.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A104 S105 H106 S111 R112 | A104-A108 WeakPolarHBondContact O-CB 3.41Å; A104-A108 PolarHBondContact O-N 3.3Å; S105-A108 PolarHBondContact O-N 3.26Å; H106-A108 VanDerWaalsContact C-N 3.34Å; A108-S111 WeakPolarHBondContact CA-OG 3.43Å; A108-S111 PolarHBondContact O-OG 2.84Å; A108-R112 WeakPolarHBondContact O-CB 3.48Å; A108-R112 PolarHBondContact O-N 3.35Å |
| 109 | L | 70.2 | Confident | 68.5 | Low | 105 Ų | 105 | 102.4 Ų | 102.4 | 55% | 0.55 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 174.7 | -80.6 | 160.4 | 0 | 0 | 0 | 111.2 | S105 H106 R112 E113 | S105-L109 PolarHBondContact O-N 3.15Å; H106-L109 PolarHBondContact O-N 3.34Å; L109-R112 WeakPolarHBondContact O-CB 3.26Å; L109-R112 PolarHBondContact O-N 3.46Å; L109-E113 PolarHBondContact O-N 2.89Å |
| 110 | R | 72.3 | Confident | 67.6 | Low | 179 Ų | 179 | 102.9 Ų | 102.9 | 68% | 0.675 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.5 | -38.7 | 178.4 | -165.5 | 174.7 | -174.9 | 174.8 | 1.2 | 112.3 | H106 G107 R112 E113 I114 | H106-R110 WeakPolarHBondContact O-CB 3.41Å; H106-R110 PolarHBondContact O-N 2.83Å; G107-R110 PolarHBondContact O-N 3.07Å; R110-R112 VanDerWaalsContact C-N 3.27Å; R110-R112 PolarHBondContact O-N 3.18Å; R110-E113 PolarHBondContact O-N 3.3Å; R110-I114 HydrophobicContact CG-CD1 4.35Å; R110-I114 WeakPolarHBondContact O-CD1 3.45Å; R110-I114 VanDerWaalsContact O-CG1 3.25Å; R110-I114 WeakPolarHBondContact O-CG1 3.27Å; R110-I114 PolarHBondContact O-N 3.47Å; R110-I114 VanDerWaalsContact O-N 3.07Å |
| 111 | S | 60.3 | Low | 66.8 | Low | 66 Ų | 66 | 101.8 Ų | 101.8 | 46% | 0.462 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.8 | -34.6 | 172.9 | 64 | 0 | 0 | 0 | 0 | 111.5 | G107 A108 I114 L115 | G107-S111 WeakPolarHBondContact O-CB 3.23Å; G107-S111 PolarHBondContact O-N 3.33Å; G107-S111 PolarHBondContact O-OG 3.31Å; A108-S111 WeakPolarHBondContact CA-OG 3.43Å; A108-S111 PolarHBondContact O-OG 2.84Å; S111-I114 PolarHBondContact O-N 3.1Å; S111-L115 WeakPolarHBondContact O-CB 3.33Å; S111-L115 PolarHBondContact O-N 2.79Å |
| 112 | R | 65.9 | Low | 65.8 | Low | 187 Ų | 187 | 102.7 Ų | 102.7 | 71% | 0.706 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.5 | -38.1 | 176.5 | -162.1 | 178.3 | -177.6 | -176 | 0.4 | 112.4 | A108 L109 R110 L115 H116 | A108-R112 WeakPolarHBondContact O-CB 3.48Å; A108-R112 PolarHBondContact O-N 3.35Å; L109-R112 WeakPolarHBondContact O-CB 3.26Å; L109-R112 PolarHBondContact O-N 3.46Å; R110-R112 VanDerWaalsContact C-N 3.27Å; R110-R112 PolarHBondContact O-N 3.18Å; R112-L115 WeakPolarHBondContact O-CB 3.44Å; R112-L115 PolarHBondContact O-N 3.33Å; R112-H116 WeakPolarHBondContact O-CB 3.33Å; R112-H116 PolarHBondContact O-N 3.21Å |
| 113 | E | 66.9 | Low | 64.8 | Low | 128 Ų | 128 | 102.7 Ų | 102.7 | 60% | 0.598 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67 | -39.9 | 172.9 | -80.2 | -178.7 | 160.1 | 0 | 0 | 112.8 | L109 R110 L115 H116 R117 | L109-E113 PolarHBondContact O-N 2.89Å; R110-E113 PolarHBondContact O-N 3.3Å; E113-L115 VanDerWaalsContact C-N 3.31Å; E113-H116 PolarHBondContact O-N 3.04Å; E113-R117 WeakPolarHBondContact O-CB 3.41Å; E113-R117 PolarHBondContact O-N 3.45Å |
| 114 | I | 64.9 | Low | 63.9 | Low | 112 Ų | 112 | 101.7 Ų | 101.7 | 57% | 0.574 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.4 | -40.5 | 174.1 | -64.5 | 162.7 | 0 | 0 | 0 | 109.8 | R110 S111 G118 | R110-I114 HydrophobicContact CG-CD1 4.35Å; R110-I114 WeakPolarHBondContact O-CD1 3.45Å; R110-I114 VanDerWaalsContact O-CG1 3.25Å; R110-I114 WeakPolarHBondContact O-CG1 3.27Å; R110-I114 PolarHBondContact O-N 3.47Å; R110-I114 VanDerWaalsContact O-N 3.07Å; S111-I114 PolarHBondContact O-N 3.1Å; I114-G118 PolarHBondContact O-N 3.15Å |
| 115 | L | 61.9 | Low | 63.2 | Low | 81 Ų | 81 | 104.9 Ų | 104.9 | 42% | 0.424 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.3 | -44.1 | 173.7 | -135.4 | 82.2 | 0 | 0 | 0 | 111.2 | S111 R112 E113 R117 G118 V119 | S111-L115 WeakPolarHBondContact O-CB 3.33Å; S111-L115 PolarHBondContact O-N 2.79Å; R112-L115 WeakPolarHBondContact O-CB 3.44Å; R112-L115 PolarHBondContact O-N 3.33Å; E113-L115 VanDerWaalsContact C-N 3.31Å; L115-R117 PolarHBondContact O-N 3.1Å; L115-G118 CarbonylContact O-C 3.55Å; L115-G118 PolarHBondContact O-N 2.97Å; L115-V119 VanDerWaalsContact O-CB 3.3Å; L115-V119 WeakPolarHBondContact O-CB 3.46Å; L115-V119 WeakPolarHBondContact O-CG2 3.33Å; L115-V119 PolarHBondContact O-N 3.47Å |
| 116 | H | 62.3 | Low | 62.3 | Low | 127 Ų | 127 | 105.1 Ų | 105.1 | 59% | 0.588 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.6 | -36.9 | -178.4 | -157.9 | -85.4 | 0 | 0 | 0 | 112.2 | R112 E113 L120 | R112-H116 WeakPolarHBondContact O-CB 3.33Å; R112-H116 PolarHBondContact O-N 3.21Å; E113-H116 PolarHBondContact O-N 3.04Å; H116-L120 PolarHBondContact O-N 3.09Å |
| 117 | R | 63 | Low | 61.7 | Low | 201 Ų | 201 | 107 Ų | 107 | 76% | 0.758 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -69.7 | -36.1 | 171.5 | -77.6 | -177.6 | 176 | 161.1 | 1.4 | 112.5 | E113 L115 S121 | E113-R117 WeakPolarHBondContact O-CB 3.41Å; E113-R117 PolarHBondContact O-N 3.45Å; L115-R117 PolarHBondContact O-N 3.1Å; R117-S121 PolarHBondContact O-N 3.46Å; R117-S121 PolarHBondContact O-OG 3.17Å |
| 118 | G | 63.9 | Low | 61.2 | Low | 31 Ų | 31 | 108.7 Ų | 108.7 | 32% | 0.32 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -73.8 | -29.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | I114 L115 S121 V122 | I114-G118 PolarHBondContact O-N 3.15Å; L115-G118 CarbonylContact O-C 3.55Å; L115-G118 PolarHBondContact O-N 2.97Å; G118-S121 PolarHBondContact O-OG 3.46Å; G118-S121 VanDerWaalsContact O-OG 3.09Å; G118-V122 VanDerWaalsContact O-CB 3.24Å; G118-V122 WeakPolarHBondContact O-CB 3.47Å; G118-V122 WeakPolarHBondContact O-CG2 3.44Å; G118-V122 PolarHBondContact O-N 3.47Å |
| 119 | V | 56.7 | Low | 61 | Low | 74 Ų | 74 | 109.8 Ų | 109.8 | 45% | 0.448 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -74.2 | -42.6 | 177.2 | 167.6 | 0 | 0 | 0 | 0 | 110.3 | L115 S121 V122 V123 | L115-V119 VanDerWaalsContact O-CB 3.3Å; L115-V119 WeakPolarHBondContact O-CB 3.46Å; L115-V119 WeakPolarHBondContact O-CG2 3.33Å; L115-V119 PolarHBondContact O-N 3.47Å; V119-S121 VanDerWaalsContact C-N 3.29Å; V119-S121 PolarHBondContact O-N 2.64Å; V119-V122 PolarHBondContact O-N 3.25Å; V119-V122 VanDerWaalsContact O-N 3.12Å; V119-V123 HydrophobicContact CG1-CG2 3.88Å; V119-V123 WeakPolarHBondContact O-CG2 3.28Å; V119-V123 PolarHBondContact O-N 2.72Å |
| 120 | L | 57.8 | Low | 60.8 | Low | 128 Ų | 128 | 110.5 Ų | 110.5 | 67% | 0.67 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.6 | -26.9 | 177.6 | -79.3 | 165.8 | 0 | 0 | 0 | 113.7 | H116 | H116-L120 PolarHBondContact O-N 3.09Å |
| 121 | S | 56.5 | Low | 60.7 | Low | 89 Ų | 89 | 111.3 Ų | 111.3 | 62% | 0.622 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -9.3 | 173.9 | 60.4 | 0 | 0 | 0 | 0 | 114.1 | R117 G118 V119 | R117-S121 PolarHBondContact O-N 3.46Å; R117-S121 PolarHBondContact O-OG 3.17Å; G118-S121 PolarHBondContact O-OG 3.46Å; G118-S121 VanDerWaalsContact O-OG 3.09Å; V119-S121 VanDerWaalsContact C-N 3.29Å; V119-S121 PolarHBondContact O-N 2.64Å |
| 122 | V | 52.5 | Low | 61.4 | Low | 61 Ų | 61 | 113.9 Ų | 113.9 | 37% | 0.37 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119.3 | -15.1 | -170.7 | 172.6 | 0 | 0 | 0 | 0 | 113.3 | G118 V119 S124 N125 L129 | G118-V122 VanDerWaalsContact O-CB 3.24Å; G118-V122 WeakPolarHBondContact O-CB 3.47Å; G118-V122 WeakPolarHBondContact O-CG2 3.44Å; G118-V122 PolarHBondContact O-N 3.47Å; V119-V122 PolarHBondContact O-N 3.25Å; V119-V122 VanDerWaalsContact O-N 3.12Å; V122-S124 PolarHBondContact O-N 3.08Å; V122-N125 PolarHBondContact O-N 2.97Å; V122-N125 VanDerWaalsContact O-N 3.09Å; V122-L129 HydrophobicContact CG1-CD1 3.4Å; V122-L129 HydrophobicContact CG1-CD2 3.95Å; V122-L129 HydrophobicContact CG1-CG 4.19Å |
| 123 | V | 54.5 | Low | 61.8 | Low | 115 Ų | 115 | 106.7 Ų | 106.7 | 70% | 0.697 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -5.1 | 177 | 157.8 | 0 | 0 | 0 | 0 | 114.6 | V119 | V119-V123 HydrophobicContact CG1-CG2 3.88Å; V119-V123 WeakPolarHBondContact O-CG2 3.28Å; V119-V123 PolarHBondContact O-N 2.72Å |
| 124 | S | 55.6 | Low | 62.1 | Low | 103 Ų | 103 | 104.3 Ų | 104.3 | 72% | 0.72 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -3.7 | 170.4 | 78.1 | 0 | 0 | 0 | 0 | 115.5 | V122 | V122-S124 PolarHBondContact O-N 3.08Š|
| 125 | N | 56.6 | Low | 62.7 | Low | 132 Ų | 132 | 103.3 Ų | 103.3 | 71% | 0.706 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -153.7 | 124.6 | 174.6 | -89.8 | -34.1 | 0 | 0 | 0 | 114.4 | V122 L129 | V122-N125 PolarHBondContact O-N 2.97Å; V122-N125 VanDerWaalsContact O-N 3.09Å; N125-L129 WeakPolarHBondContact O-CD1 3.37Å |
| 126 | G | 55 | Low | 63.5 | Low | 56 Ų | 56 | 103.6 Ų | 103.6 | 58% | 0.577 | 57% | 0.572 | S | S | * | * | trans | 106.6 | 116.8 | 141.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | A128 L129 | G126-A128 PolarHBondContact O-N 3.23Å; G126-A128 VanDerWaalsContact O-N 3.15Å; G126-L129 PolarHBondContact O-N 2.94Å; G126-L129 VanDerWaalsContact O-N 3.16Å | ||
| 127 | H | 58.7 | Low | 64.1 | Low | 175 Ų | 175 | 100.8 Ų | 100.8 | 81% | 0.81 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.5 | -16.7 | 170.7 | -152.2 | -63.8 | 0 | 0 | 0 | 114.6 | ||
| 128 | A | 62.1 | Low | 64.7 | Low | 76 Ų | 76 | 94 Ų | 94 | 63% | 0.628 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -72.7 | -29.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G126 R131 Q132 | G126-A128 PolarHBondContact O-N 3.23Å; G126-A128 VanDerWaalsContact O-N 3.15Å; A128-R131 PolarHBondContact O-N 3.26Å; A128-Q132 PolarHBondContact O-N 3.25Å |
| 129 | L | 62.7 | Low | 65.5 | Low | 79 Ų | 79 | 97.9 Ų | 97.9 | 41% | 0.414 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -76 | -30.3 | -178.1 | -81.5 | 147.5 | 0 | 0 | 0 | 113 | V122 N125 G126 R131 Q132 A133 | V122-L129 HydrophobicContact CG1-CD1 3.4Å; V122-L129 HydrophobicContact CG1-CD2 3.95Å; V122-L129 HydrophobicContact CG1-CG 4.19Å; N125-L129 WeakPolarHBondContact O-CD1 3.37Å; G126-L129 PolarHBondContact O-N 2.94Å; G126-L129 VanDerWaalsContact O-N 3.16Å; L129-R131 VanDerWaalsContact C-N 3.28Å; L129-R131 PolarHBondContact O-N 3.42Å; L129-Q132 PolarHBondContact O-N 3.35Å; L129-A133 WeakPolarHBondContact O-CB 3.46Å; L129-A133 PolarHBondContact O-N 2.7Å |
| 130 | L | 66.1 | Low | 66.5 | Low | 121 Ų | 121 | 96.6 Ų | 96.6 | 63% | 0.634 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66 | -34.9 | 174 | -165.8 | 72.6 | 0 | 0 | 0 | 111.4 | C134 | L130-C134 PolarHBondContact O-N 2.84Å; L130-C134 PolarHBondContact O-SG 2.9Å |
| 131 | R | 70.3 | Confident | 67.4 | Low | 195 Ų | 195 | 96.9 Ų | 96.9 | 74% | 0.736 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -70.1 | -42.9 | 175.8 | -161.1 | 154.9 | -167.9 | 125.3 | 0.7 | 111.2 | A128 L129 A133 C134 D135 | A128-R131 PolarHBondContact O-N 3.26Å; L129-R131 VanDerWaalsContact C-N 3.28Å; L129-R131 PolarHBondContact O-N 3.42Å; R131-A133 VanDerWaalsContact C-N 3.34Å; R131-A133 PolarHBondContact O-N 3.02Å; R131-C134 WeakPolarHBondContact O-CB 3.38Å; R131-C134 PolarHBondContact O-N 2.86Å; R131-C134 VanDerWaalsContact O-N 3.15Å; R131-D135 VanDerWaalsContact O-CG 3.32Å; R131-D135 PolarHBondContact O-N 2.97Å |
| 132 | Q | 76.4 | Confident | 68.4 | Low | 120 Ų | 120 | 96 Ų | 96 | 56% | 0.561 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.4 | -35.4 | 175.1 | -163.1 | 159.1 | -21 | 0 | 0 | 112.6 | A128 L129 D135 I136 | A128-Q132 PolarHBondContact O-N 3.25Å; L129-Q132 PolarHBondContact O-N 3.35Å; Q132-D135 PolarHBondContact O-N 3.07Å; Q132-I136 HydrophobicContact CG-CD1 4.45Å; Q132-I136 WeakPolarHBondContact O-CD1 3.48Å; Q132-I136 WeakPolarHBondContact O-CG1 3.49Å; Q132-I136 PolarHBondContact O-N 3.49Å |
| 133 | A | 73.9 | Confident | 69.8 | Low | 37 Ų | 37 | 98.5 Ų | 98.5 | 31% | 0.306 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.4 | -40.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L129 R131 I136 C137 | L129-A133 WeakPolarHBondContact O-CB 3.46Å; L129-A133 PolarHBondContact O-N 2.7Å; R131-A133 VanDerWaalsContact C-N 3.34Å; R131-A133 PolarHBondContact O-N 3.02Å; A133-I136 PolarHBondContact O-N 3.24Å; A133-C137 WeakPolarHBondContact O-CB 3.39Å; A133-C137 PolarHBondContact O-N 3.44Å; A133-C137 PolarHBondContact O-SG 2.94Å; A133-C137 VanDerWaalsContact O-SG 3.36Å |
| 134 | C | 73.6 | Confident | 70.9 | Confident | 77 Ų | 77 | 96.6 Ų | 96.6 | 52% | 0.52 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.8 | -41.3 | 173.4 | -74.9 | 0 | 0 | 0 | 0 | 112.1 | L130 R131 C137 A138 | L130-C134 PolarHBondContact O-N 2.84Å; L130-C134 PolarHBondContact O-SG 2.9Å; R131-C134 WeakPolarHBondContact O-CB 3.38Å; R131-C134 PolarHBondContact O-N 2.86Å; R131-C134 VanDerWaalsContact O-N 3.15Å; C134-C137 PolarHBondContact O-N 3.33Å; C134-A138 WeakPolarHBondContact O-CB 3.3Å; C134-A138 PolarHBondContact O-N 3.32Å |
| 135 | D | 77 | Confident | 71.9 | Confident | 91 Ų | 91 | 94.4 Ų | 94.4 | 49% | 0.487 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 177.5 | -66.8 | -26.7 | 0 | 0 | 0 | 111.2 | R131 Q132 A138 I139 | R131-D135 VanDerWaalsContact O-CG 3.32Å; R131-D135 PolarHBondContact O-N 2.97Å; Q132-D135 PolarHBondContact O-N 3.07Å; D135-A138 PolarHBondContact O-N 3.39Å; D135-I139 WeakPolarHBondContact O-CD1 3.37Å; D135-I139 WeakPolarHBondContact O-CG1 3.37Å; D135-I139 PolarHBondContact O-N 3.31Å |
| 136 | I | 78.8 | Confident | 73.1 | Confident | 87 Ų | 87 | 95.7 Ų | 95.7 | 45% | 0.446 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 174.8 | -67.2 | 164.8 | 0 | 0 | 0 | 111.1 | Q132 A133 I139 A140 | Q132-I136 HydrophobicContact CG-CD1 4.45Å; Q132-I136 WeakPolarHBondContact O-CD1 3.48Å; Q132-I136 WeakPolarHBondContact O-CG1 3.49Å; Q132-I136 PolarHBondContact O-N 3.49Å; A133-I136 PolarHBondContact O-N 3.24Å; I136-I139 PolarHBondContact O-N 2.85Å; I136-A140 WeakPolarHBondContact O-CB 3.3Å; I136-A140 PolarHBondContact O-N 3.45Å |
| 137 | C | 74.9 | Confident | 74.3 | Confident | 68 Ų | 68 | 96.5 Ų | 96.5 | 46% | 0.459 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 175.1 | -75 | 0 | 0 | 0 | 0 | 112 | A133 C134 A140 M141 | A133-C137 WeakPolarHBondContact O-CB 3.39Å; A133-C137 PolarHBondContact O-N 3.44Å; A133-C137 PolarHBondContact O-SG 2.94Å; A133-C137 VanDerWaalsContact O-SG 3.36Å; C134-C137 PolarHBondContact O-N 3.33Å; C137-A140 PolarHBondContact O-N 3.38Å; C137-M141 WeakPolarHBondContact O-CB 3.5Å; C137-M141 VanDerWaalsContact O-CG 3.28Å; C137-M141 WeakPolarHBondContact O-CG 3.4Å; C137-M141 PolarHBondContact O-N 2.89Å |
| 138 | A | 75.4 | Confident | 75.2 | Confident | 59 Ų | 59 | 92.8 Ų | 92.8 | 49% | 0.488 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | C134 D135 M141 S142 | C134-A138 WeakPolarHBondContact O-CB 3.3Å; C134-A138 PolarHBondContact O-N 3.32Å; D135-A138 PolarHBondContact O-N 3.39Å; A138-M141 PolarHBondContact O-N 3.45Å; A138-S142 WeakPolarHBondContact O-CB 3.44Å; A138-S142 PolarHBondContact O-N 2.91Å |
| 139 | I | 80.1 | Confident | 75.9 | Confident | 112 Ų | 112 | 94.4 Ų | 94.4 | 57% | 0.574 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62 | -45.9 | 174.5 | -66.5 | 162 | 0 | 0 | 0 | 110.5 | D135 I136 M141 S142 L143 | D135-I139 WeakPolarHBondContact O-CD1 3.37Å; D135-I139 WeakPolarHBondContact O-CG1 3.37Å; D135-I139 PolarHBondContact O-N 3.31Å; I136-I139 PolarHBondContact O-N 2.85Å; I139-M141 PolarHBondContact O-N 3.32Å; I139-S142 WeakPolarHBondContact CA-OG 3.38Å; I139-S142 PolarHBondContact O-N 3.27Å; I139-S142 PolarHBondContact O-OG 3.46Å; I139-L143 PolarHBondContact O-N 2.97Å |
| 140 | A | 79.1 | Confident | 76.8 | Confident | 48 Ų | 48 | 92.9 Ų | 92.9 | 40% | 0.397 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | I136 C137 S142 L143 V144 | I136-A140 WeakPolarHBondContact O-CB 3.3Å; I136-A140 PolarHBondContact O-N 3.45Å; C137-A140 PolarHBondContact O-N 3.38Å; A140-S142 VanDerWaalsContact C-N 3.32Å; A140-S142 PolarHBondContact O-N 3.49Å; A140-L143 PolarHBondContact O-N 2.72Å; A140-V144 WeakPolarHBondContact O-CG2 3.44Å; A140-V144 PolarHBondContact O-N 3.48Å |
| 141 | M | 74.9 | Confident | 77.4 | Confident | 133 Ų | 133 | 90.6 Ų | 90.6 | 66% | 0.655 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.8 | -37.1 | 176.3 | -70 | -57.5 | -65.7 | 0 | 0 | 112 | C137 A138 I139 V144 A145 | C137-M141 WeakPolarHBondContact O-CB 3.5Å; C137-M141 VanDerWaalsContact O-CG 3.28Å; C137-M141 WeakPolarHBondContact O-CG 3.4Å; C137-M141 PolarHBondContact O-N 2.89Å; A138-M141 PolarHBondContact O-N 3.45Å; I139-M141 PolarHBondContact O-N 3.32Å; M141-V144 PolarHBondContact O-N 3.29Å; M141-A145 WeakPolarHBondContact O-CB 3.36Å; M141-A145 PolarHBondContact O-N 3.31Å |
| 142 | S | 78.1 | Confident | 77.8 | Confident | 71 Ų | 71 | 85 Ų | 85 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.1 | -37.8 | 175 | 77 | 0 | 0 | 0 | 0 | 112.5 | A138 I139 A140 A145 Y146 | A138-S142 WeakPolarHBondContact O-CB 3.44Å; A138-S142 PolarHBondContact O-N 2.91Å; I139-S142 WeakPolarHBondContact CA-OG 3.38Å; I139-S142 PolarHBondContact O-N 3.27Å; I139-S142 PolarHBondContact O-OG 3.46Å; A140-S142 VanDerWaalsContact C-N 3.32Å; A140-S142 PolarHBondContact O-N 3.49Å; S142-A145 PolarHBondContact O-N 3.37Å; S142-Y146 WeakPolarHBondContact O-CB 3.41Å; S142-Y146 PolarHBondContact O-N 3.27Å |
| 143 | L | 81.6 | Confident | 78.1 | Confident | 113 Ų | 113 | 83.6 Ų | 83.6 | 59% | 0.592 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.1 | -42.3 | 175.6 | -167.7 | 81.1 | 0 | 0 | 0 | 111.2 | I139 A140 Y146 V147 | I139-L143 PolarHBondContact O-N 2.97Å; A140-L143 PolarHBondContact O-N 2.72Å; L143-Y146 WeakPolarHBondContact O-CB 3.44Å; L143-Y146 PolarHBondContact O-N 2.89Å; L143-V147 WeakPolarHBondContact O-CG2 3.31Å; L143-V147 PolarHBondContact O-N 2.96Å |
| 144 | V | 78.4 | Confident | 78.4 | Confident | 76 Ų | 76 | 86 Ų | 86 | 46% | 0.461 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -45.7 | 175.5 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | A140 M141 Y146 V147 I148 | A140-V144 WeakPolarHBondContact O-CG2 3.44Å; A140-V144 PolarHBondContact O-N 3.48Å; M141-V144 PolarHBondContact O-N 3.29Å; V144-Y146 VanDerWaalsContact C-N 3.31Å; V144-Y146 PolarHBondContact O-N 3.22Å; V144-V147 PolarHBondContact O-N 3.23Å; V144-I148 HydrophobicContact CG1-CD1 3.82Å; V144-I148 HydrophobicContact CG1-CG1 4.47Å; V144-I148 WeakPolarHBondContact O-CG1 3.32Å; V144-I148 PolarHBondContact O-N 3.25Å |
| 145 | A | 76.4 | Confident | 78.6 | Confident | 57 Ų | 57 | 85.6 Ų | 85.6 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -40.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M141 S142 I148 N149 | M141-A145 WeakPolarHBondContact O-CB 3.36Å; M141-A145 PolarHBondContact O-N 3.31Å; S142-A145 PolarHBondContact O-N 3.37Å; A145-I148 PolarHBondContact O-N 2.97Å; A145-N149 VanDerWaalsContact O-CB 3.3Å; A145-N149 WeakPolarHBondContact O-CB 3.22Å; A145-N149 PolarHBondContact O-N 3.49Å |
| 146 | Y | 81.6 | Confident | 78.6 | Confident | 158 Ų | 158 | 86 Ų | 86 | 62% | 0.62 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62 | -44.6 | 175.1 | 177.3 | -98.6 | 0 | 0 | 0 | 112.4 | S142 L143 V144 N149 S150 | S142-Y146 WeakPolarHBondContact O-CB 3.41Å; S142-Y146 PolarHBondContact O-N 3.27Å; L143-Y146 WeakPolarHBondContact O-CB 3.44Å; L143-Y146 PolarHBondContact O-N 2.89Å; V144-Y146 VanDerWaalsContact C-N 3.31Å; V144-Y146 PolarHBondContact O-N 3.22Å; Y146-N149 PolarHBondContact O-N 2.7Å; Y146-S150 WeakPolarHBondContact O-CB 3.47Å; Y146-S150 PolarHBondContact O-N 2.9Å |
| 147 | V | 80.6 | Confident | 78.8 | Confident | 73 Ų | 73 | 85.8 Ų | 85.8 | 44% | 0.442 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -47.7 | 176.8 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | L143 V144 N149 S150 L151 | L143-V147 WeakPolarHBondContact O-CG2 3.31Å; L143-V147 PolarHBondContact O-N 2.96Å; V144-V147 PolarHBondContact O-N 3.23Å; V147-N149 VanDerWaalsContact C-N 3.31Å; V147-N149 PolarHBondContact O-N 3Å; V147-S150 WeakPolarHBondContact O-CB 3.33Å; V147-S150 PolarHBondContact O-N 3.24Å; V147-L151 HydrophobicContact CG1-CD1 4.14Å; V147-L151 HydrophobicContact CG1-CG 4.38Å; V147-L151 VanDerWaalsContact O-CG 3.3Å; V147-L151 WeakPolarHBondContact O-CG 3.37Å; V147-L151 PolarHBondContact O-N 3.42Å |
| 148 | I | 76.8 | Confident | 79 | Confident | 97 Ų | 97 | 84.8 Ų | 84.8 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59 | -45.2 | 177.5 | -66.6 | 167.6 | 0 | 0 | 0 | 110.4 | V144 A145 S150 L151 V152 | V144-I148 HydrophobicContact CG1-CD1 3.82Å; V144-I148 HydrophobicContact CG1-CG1 4.47Å; V144-I148 WeakPolarHBondContact O-CG1 3.32Å; V144-I148 PolarHBondContact O-N 3.25Å; A145-I148 PolarHBondContact O-N 2.97Å; I148-S150 VanDerWaalsContact C-N 3.34Å; I148-S150 PolarHBondContact O-N 3.41Å; I148-L151 PolarHBondContact O-N 3.46Å; I148-V152 HydrophobicContact CG2-CG2 4.4Å; I148-V152 WeakPolarHBondContact O-CG2 3.46Å; I148-V152 PolarHBondContact O-N 3.28Å |
| 149 | N | 77.8 | Confident | 79.1 | Confident | 111 Ų | 111 | 85 Ų | 85 | 59% | 0.594 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.6 | -41 | 178.1 | -167.8 | 44.7 | 0 | 0 | 0 | 112 | A145 Y146 V147 V152 N153 | A145-N149 VanDerWaalsContact O-CB 3.3Å; A145-N149 WeakPolarHBondContact O-CB 3.22Å; A145-N149 PolarHBondContact O-N 3.49Å; Y146-N149 PolarHBondContact O-N 2.7Å; V147-N149 VanDerWaalsContact C-N 3.31Å; V147-N149 PolarHBondContact O-N 3Å; N149-V152 PolarHBondContact O-N 2.93Å; N149-N153 VanDerWaalsContact O-CB 3.29Å; N149-N153 WeakPolarHBondContact O-CB 3.45Å; N149-N153 PolarHBondContact O-N 2.78Å |
| 150 | S | 81.9 | Confident | 79.2 | Confident | 47 Ų | 47 | 86.1 Ų | 86.1 | 33% | 0.329 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 175.4 | -169.5 | 0 | 0 | 0 | 0 | 111.9 | Y146 V147 I148 N153 I154 | Y146-S150 WeakPolarHBondContact O-CB 3.47Å; Y146-S150 PolarHBondContact O-N 2.9Å; V147-S150 WeakPolarHBondContact O-CB 3.33Å; V147-S150 PolarHBondContact O-N 3.24Å; I148-S150 VanDerWaalsContact C-N 3.34Å; I148-S150 PolarHBondContact O-N 3.41Å; S150-N153 PolarHBondContact O-N 2.95Å; S150-I154 WeakPolarHBondContact O-CB 3.33Å; S150-I154 WeakPolarHBondContact O-CD1 3.48Å; S150-I154 VanDerWaalsContact O-CG1 3.23Å; S150-I154 WeakPolarHBondContact O-CG1 3.29Å; S150-I154 PolarHBondContact O-N 3.34Å |
| 151 | L | 77.7 | Confident | 79.3 | Confident | 73 Ų | 73 | 88.9 Ų | 88.9 | 38% | 0.382 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 176.6 | -68.8 | 178.5 | 0 | 0 | 0 | 112.7 | L97 V147 I148 N153 I154 C155 | L97-L151 HydrophobicContact CD2-CD2 3.22Å; V147-L151 HydrophobicContact CG1-CD1 4.14Å; V147-L151 HydrophobicContact CG1-CG 4.38Å; V147-L151 VanDerWaalsContact O-CG 3.3Å; V147-L151 WeakPolarHBondContact O-CG 3.37Å; V147-L151 PolarHBondContact O-N 3.42Å; I148-L151 PolarHBondContact O-N 3.46Å; L151-N153 VanDerWaalsContact C-N 3.29Å; L151-N153 PolarHBondContact O-N 2.93Å; L151-I154 PolarHBondContact O-N 2.88Å; L151-C155 WeakPolarHBondContact O-CB 3.45Å; L151-C155 PolarHBondContact O-N 3.46Å |
| 152 | V | 79.2 | Confident | 79.6 | Confident | 77 Ų | 77 | 85.4 Ų | 85.4 | 47% | 0.467 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 175.8 | 171 | 0 | 0 | 0 | 0 | 110.1 | I148 N149 C155 L156 | I148-V152 HydrophobicContact CG2-CG2 4.4Å; I148-V152 WeakPolarHBondContact O-CG2 3.46Å; I148-V152 PolarHBondContact O-N 3.28Å; N149-V152 PolarHBondContact O-N 2.93Å; V152-C155 PolarHBondContact O-N 2.98Å; V152-L156 HydrophobicContact CG1-CD1 3.91Å; V152-L156 WeakPolarHBondContact O-CB 3.02Å; V152-L156 WeakPolarHBondContact O-CG 3.11Å; V152-L156 PolarHBondContact O-N 2.93Å |
| 153 | N | 81.5 | Confident | 79.6 | Confident | 90 Ų | 90 | 88.9 Ų | 88.9 | 48% | 0.481 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 178.4 | -161.1 | 33.3 | 0 | 0 | 0 | 111.9 | N149 S150 L151 C155 L156 I157 | N149-N153 VanDerWaalsContact O-CB 3.29Å; N149-N153 WeakPolarHBondContact O-CB 3.45Å; N149-N153 PolarHBondContact O-N 2.78Å; S150-N153 PolarHBondContact O-N 2.95Å; L151-N153 VanDerWaalsContact C-N 3.29Å; L151-N153 PolarHBondContact O-N 2.93Å; N153-C155 VanDerWaalsContact C-N 3.32Å; N153-C155 PolarHBondContact O-N 2.9Å; N153-L156 PolarHBondContact O-N 3.47Å; N153-I157 WeakPolarHBondContact O-CB 3.41Å; N153-I157 WeakPolarHBondContact O-CD1 3.48Å; N153-I157 WeakPolarHBondContact O-CG1 3.24Å; N153-I157 PolarHBondContact O-N 3.4Å |
| 154 | I | 80.1 | Confident | 79.6 | Confident | 88 Ų | 88 | 86.6 Ų | 86.6 | 45% | 0.451 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 174.5 | -70.2 | 163.4 | 0 | 0 | 0 | 111 | S150 L151 I157 S158 | S150-I154 WeakPolarHBondContact O-CB 3.33Å; S150-I154 WeakPolarHBondContact O-CD1 3.48Å; S150-I154 VanDerWaalsContact O-CG1 3.23Å; S150-I154 WeakPolarHBondContact O-CG1 3.29Å; S150-I154 PolarHBondContact O-N 3.34Å; L151-I154 PolarHBondContact O-N 2.88Å; I154-I157 PolarHBondContact O-N 3.45Å; I154-S158 VanDerWaalsContact O-CB 3.26Å; I154-S158 WeakPolarHBondContact O-CB 3.22Å; I154-S158 PolarHBondContact O-N 2.87Å |
| 155 | C | 78.2 | Confident | 79.8 | Confident | 69 Ų | 69 | 86.5 Ų | 86.5 | 47% | 0.466 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 178.7 | -165.5 | 0 | 0 | 0 | 0 | 112 | L151 V152 N153 S158 T159 | L151-C155 WeakPolarHBondContact O-CB 3.45Å; L151-C155 PolarHBondContact O-N 3.46Å; V152-C155 PolarHBondContact O-N 2.98Å; N153-C155 VanDerWaalsContact C-N 3.32Å; N153-C155 PolarHBondContact O-N 2.9Å; C155-S158 PolarHBondContact O-N 3.3Å; C155-T159 WeakPolarHBondContact O-CB 3.41Å; C155-T159 WeakPolarHBondContact O-CG2 3.41Å; C155-T159 PolarHBondContact O-N 3.22Å; C155-T159 PolarHBondContact O-OG1 2.89Å |
| 156 | L | 77.4 | Confident | 80 | Confident | 99 Ų | 99 | 86.8 Ų | 86.8 | 52% | 0.518 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 174.5 | -82 | 166.1 | 0 | 0 | 0 | 111.9 | V152 N153 S158 T159 Q160 | V152-L156 HydrophobicContact CG1-CD1 3.91Å; V152-L156 WeakPolarHBondContact O-CB 3.02Å; V152-L156 WeakPolarHBondContact O-CG 3.11Å; V152-L156 PolarHBondContact O-N 2.93Å; N153-L156 PolarHBondContact O-N 3.47Å; L156-S158 VanDerWaalsContact C-N 3.34Å; L156-S158 PolarHBondContact O-N 3.41Å; L156-T159 WeakPolarHBondContact CA-OG1 3.33Å; L156-T159 PolarHBondContact O-N 3.31Å; L156-T159 PolarHBondContact O-OG1 2.74Å; L156-Q160 VanDerWaalsContact O-CB 3.27Å; L156-Q160 WeakPolarHBondContact O-CB 3.5Å; L156-Q160 PolarHBondContact O-N 3.22Å |
| 157 | I | 83.9 | Confident | 79.9 | Confident | 83 Ų | 83 | 84.6 Ų | 84.6 | 43% | 0.426 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 177.5 | -68.1 | 160.2 | 0 | 0 | 0 | 110.8 | N153 I154 Q160 N161 | N153-I157 WeakPolarHBondContact O-CB 3.41Å; N153-I157 WeakPolarHBondContact O-CD1 3.48Å; N153-I157 WeakPolarHBondContact O-CG1 3.24Å; N153-I157 PolarHBondContact O-N 3.4Å; I154-I157 PolarHBondContact O-N 3.45Å; I157-Q160 PolarHBondContact O-N 3.37Å; I157-N161 WeakPolarHBondContact O-CB 3.46Å; I157-N161 PolarHBondContact O-N 2.93Å |
| 158 | S | 79 | Confident | 79.8 | Confident | 46 Ų | 46 | 83.6 Ų | 83.6 | 32% | 0.322 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.8 | -46.9 | 177.9 | -173.4 | 0 | 0 | 0 | 0 | 112.1 | C90 I154 C155 L156 Q160 N161 L162 | C90-S158 PolarHBondContact SG-OG 3.45Å; I154-S158 VanDerWaalsContact O-CB 3.26Å; I154-S158 WeakPolarHBondContact O-CB 3.22Å; I154-S158 PolarHBondContact O-N 2.87Å; C155-S158 PolarHBondContact O-N 3.3Å; L156-S158 VanDerWaalsContact C-N 3.34Å; L156-S158 PolarHBondContact O-N 3.41Å; S158-Q160 PolarHBondContact O-N 2.88Å; S158-N161 PolarHBondContact O-N 2.85Å; S158-L162 WeakPolarHBondContact O-CB 3.46Å; S158-L162 PolarHBondContact O-N 3.32Å |
| 159 | T | 76.1 | Confident | 80 | Confident | 65 Ų | 65 | 81.1 Ų | 81.1 | 40% | 0.399 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 178 | 49.9 | 0 | 0 | 0 | 0 | 112.3 | C155 L156 L162 F163 | C155-T159 WeakPolarHBondContact O-CB 3.41Å; C155-T159 WeakPolarHBondContact O-CG2 3.41Å; C155-T159 PolarHBondContact O-N 3.22Å; C155-T159 PolarHBondContact O-OG1 2.89Å; L156-T159 WeakPolarHBondContact CA-OG1 3.33Å; L156-T159 PolarHBondContact O-N 3.31Å; L156-T159 PolarHBondContact O-OG1 2.74Å; T159-L162 WeakPolarHBondContact O-CB 3.03Å; T159-L162 PolarHBondContact O-N 2.86Å; T159-F163 PolarHBondContact O-N 3.01Å |
| 160 | Q | 83.3 | Confident | 80.1 | Confident | 135 Ų | 135 | 84.3 Ų | 84.3 | 63% | 0.631 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -67.2 | -40.3 | 176.6 | -169 | 170.3 | -2.5 | 0 | 0 | 112.3 | L156 I157 S158 L162 F163 S164 | L156-Q160 VanDerWaalsContact O-CB 3.27Å; L156-Q160 WeakPolarHBondContact O-CB 3.5Å; L156-Q160 PolarHBondContact O-N 3.22Å; I157-Q160 PolarHBondContact O-N 3.37Å; S158-Q160 PolarHBondContact O-N 2.88Å; Q160-L162 VanDerWaalsContact C-N 3.34Å; Q160-F163 PolarHBondContact O-N 3.45Å; Q160-S164 WeakPolarHBondContact O-CB 3.44Å; Q160-S164 PolarHBondContact O-N 3.5Å; Q160-S164 PolarHBondContact O-OG 2.88Å |
| 161 | N | 81.4 | Confident | 80.1 | Confident | 105 Ų | 105 | 87.5 Ų | 87.5 | 56% | 0.561 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66 | -37.6 | 173.2 | -81 | -16.1 | 0 | 0 | 0 | 111.9 | I157 S158 S164 L165 | I157-N161 WeakPolarHBondContact O-CB 3.46Å; I157-N161 PolarHBondContact O-N 2.93Å; S158-N161 PolarHBondContact O-N 2.85Å; N161-S164 PolarHBondContact O-N 2.92Å; N161-L165 WeakPolarHBondContact O-CB 3.4Å; N161-L165 PolarHBondContact O-N 2.92Å |
| 162 | L | 80.5 | Confident | 80.1 | Confident | 60 Ų | 60 | 87.2 Ų | 87.2 | 31% | 0.314 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.6 | -48.5 | 175.7 | -164.3 | 88.1 | 0 | 0 | 0 | 111.5 | L87 S158 T159 Q160 S164 L165 V166 | L87-L162 HydrophobicContact CD2-CD1 3.37Å; L87-L162 HydrophobicContact CD2-CD2 3.91Å; L87-L162 HydrophobicContact CD2-CG 4.25Å; L87-L162 HydrophobicContact CG-CD1 3.89Å; S158-L162 WeakPolarHBondContact O-CB 3.46Å; S158-L162 PolarHBondContact O-N 3.32Å; T159-L162 WeakPolarHBondContact O-CB 3.03Å; T159-L162 PolarHBondContact O-N 2.86Å; Q160-L162 VanDerWaalsContact C-N 3.34Å; L162-S164 VanDerWaalsContact C-N 3.3Å; L162-S164 PolarHBondContact O-N 3.36Å; L162-L165 PolarHBondContact O-N 2.87Å; L162-V166 WeakPolarHBondContact O-CG2 3.2Å; L162-V166 PolarHBondContact O-N 3.33Å |
| 163 | F | 78.7 | Confident | 80 | Confident | 144 Ų | 144 | 85.1 Ų | 85.1 | 63% | 0.632 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60.2 | -41.7 | 176.2 | -98 | -79 | 0 | 0 | 0 | 111.8 | T159 Q160 L165 V166 L167 | T159-F163 PolarHBondContact O-N 3.01Å; Q160-F163 PolarHBondContact O-N 3.45Å; F163-L165 PolarHBondContact O-N 3.43Å; F163-V166 PolarHBondContact O-N 3.13Å; F163-L167 WeakPolarHBondContact O-CB 3.31Å; F163-L167 WeakPolarHBondContact O-CG 3.42Å; F163-L167 PolarHBondContact O-N 3.42Å |
| 164 | S | 81.9 | Confident | 79.8 | Confident | 66 Ų | 66 | 82.1 Ų | 82.1 | 46% | 0.462 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 177.2 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | Q160 N161 L162 L167 A168 | Q160-S164 WeakPolarHBondContact O-CB 3.44Å; Q160-S164 PolarHBondContact O-N 3.5Å; Q160-S164 PolarHBondContact O-OG 2.88Å; N161-S164 PolarHBondContact O-N 2.92Å; L162-S164 VanDerWaalsContact C-N 3.3Å; L162-S164 PolarHBondContact O-N 3.36Å; S164-L167 PolarHBondContact O-N 3.5Å; S164-A168 WeakPolarHBondContact O-CB 3.3Å; S164-A168 PolarHBondContact O-N 2.95Å |
| 165 | L | 82.2 | Confident | 80 | Confident | 73 Ų | 73 | 79 Ų | 79 | 38% | 0.382 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 176.3 | -176.4 | 65.4 | 0 | 0 | 0 | 112.1 | L83 L86 N161 L162 F163 A168 L169 | L83-L165 HydrophobicContact CD1-CD2 3.41Å; L83-L165 VanDerWaalsContact CD1-CD2 3.41Å; L83-L165 HydrophobicContact CD1-CG 3.91Å; L86-L165 HydrophobicContact CD1-CD2 4Å; N161-L165 WeakPolarHBondContact O-CB 3.4Å; N161-L165 PolarHBondContact O-N 2.92Å; L162-L165 PolarHBondContact O-N 2.87Å; F163-L165 PolarHBondContact O-N 3.43Å; L165-A168 PolarHBondContact O-N 2.91Å; L165-L169 WeakPolarHBondContact O-CB 3.48Å; L165-L169 PolarHBondContact O-N 3.49Å |
| 166 | V | 79.7 | Confident | 80 | Confident | 64 Ų | 64 | 78 Ų | 78 | 39% | 0.388 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 176.1 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | L83 L162 F163 L169 W170 | L83-V166 HydrophobicContact CD2-CG2 4.17Å; L162-V166 WeakPolarHBondContact O-CG2 3.2Å; L162-V166 PolarHBondContact O-N 3.33Å; F163-V166 PolarHBondContact O-N 3.13Å; V166-L169 PolarHBondContact O-N 2.98Å; V166-W170 VanDerWaalsContact O-CB 3.3Å; V166-W170 WeakPolarHBondContact O-CB 3.39Å; V166-W170 PolarHBondContact O-N 3.04Å |
| 167 | L | 80.8 | Confident | 79.9 | Confident | 112 Ų | 112 | 77.1 Ų | 77.1 | 59% | 0.586 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.7 | -41.5 | 176.2 | -73.4 | 171 | 0 | 0 | 0 | 111.9 | F163 S164 W170 D171 | F163-L167 WeakPolarHBondContact O-CB 3.31Å; F163-L167 WeakPolarHBondContact O-CG 3.42Å; F163-L167 PolarHBondContact O-N 3.42Å; S164-L167 PolarHBondContact O-N 3.5Å; L167-W170 PolarHBondContact O-N 3.49Å; L167-D171 WeakPolarHBondContact O-CB 3.33Å; L167-D171 PolarHBondContact O-N 3.48Å |
| 168 | A | 78.8 | Confident | 79.8 | Confident | 52 Ų | 52 | 81.6 Ų | 81.6 | 43% | 0.43 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S164 L165 W170 D171 T172 | S164-A168 WeakPolarHBondContact O-CB 3.3Å; S164-A168 PolarHBondContact O-N 2.95Å; L165-A168 PolarHBondContact O-N 2.91Å; A168-W170 PolarHBondContact O-N 3.22Å; A168-D171 PolarHBondContact O-N 2.88Å; A168-T172 VanDerWaalsContact O-CG2 3.22Å; A168-T172 WeakPolarHBondContact O-CG2 3.47Å; A168-T172 PolarHBondContact O-N 3.23Å; A168-T172 PolarHBondContact O-OG1 3.41Å |
| 169 | L | 79.7 | Confident | 79.9 | Confident | 45 Ų | 45 | 88.2 Ų | 88.2 | 24% | 0.236 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 176.7 | -155 | 79.7 | 0 | 0 | 0 | 110.8 | L83 L165 V166 D171 T172 V173 | L83-L169 HydrophobicContact CD2-CD2 4.21Å; L165-L169 WeakPolarHBondContact O-CB 3.48Å; L165-L169 PolarHBondContact O-N 3.49Å; V166-L169 PolarHBondContact O-N 2.98Å; L169-D171 VanDerWaalsContact C-N 3.35Å; L169-D171 PolarHBondContact O-N 3.29Å; L169-T172 WeakPolarHBondContact CA-OG1 3.19Å; L169-T172 PolarHBondContact O-N 3.47Å; L169-T172 PolarHBondContact O-OG1 2.84Å; L169-V173 VanDerWaalsContact O-CG2 3.31Å; L169-V173 WeakPolarHBondContact O-CG2 3.36Å; L169-V173 PolarHBondContact O-N 3.34Å |
| 170 | W | 81 | Confident | 80 | Confident | 177 Ų | 177 | 88 Ų | 88 | 67% | 0.67 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -57.3 | -46.2 | 176.4 | -179.2 | -91.9 | 0 | 0 | 0 | 112.1 | V166 L167 A168 V173 T174 | V166-W170 VanDerWaalsContact O-CB 3.3Å; V166-W170 WeakPolarHBondContact O-CB 3.39Å; V166-W170 PolarHBondContact O-N 3.04Å; L167-W170 PolarHBondContact O-N 3.49Å; A168-W170 PolarHBondContact O-N 3.22Å; W170-V173 PolarHBondContact O-N 3.43Å; W170-T174 HydrophobicContact CD2-CG2 3.91Å; W170-T174 VanDerWaalsContact CE2-CG2 3.49Å; W170-T174 HydrophobicContact CG-CG2 4.26Å; W170-T174 HydrophobicContact CH2-CG2 4.4Å; W170-T174 HydrophobicContact CZ2-CG2 3.78Å; W170-T174 WeakPolarHBondContact O-CB 3.45Å; W170-T174 WeakPolarHBondContact O-CG2 3.27Å; W170-T174 PolarHBondContact O-N 3.37Å; W170-T174 PolarHBondContact O-OG1 2.83Å |
| 171 | D | 81.8 | Confident | 79.7 | Confident | 115 Ų | 115 | 85.1 Ų | 85.1 | 62% | 0.615 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66 | -40.6 | 178 | -164.7 | 40.3 | 0 | 0 | 0 | 111.5 | L167 A168 L169 V173 G175 | L167-D171 WeakPolarHBondContact O-CB 3.33Å; L167-D171 PolarHBondContact O-N 3.48Å; A168-D171 PolarHBondContact O-N 2.88Å; L169-D171 VanDerWaalsContact C-N 3.35Å; L169-D171 PolarHBondContact O-N 3.29Å; D171-V173 PolarHBondContact O-N 2.95Å; D171-G175 PolarHBondContact O-N 3.43Å |
| 172 | T | 76.3 | Confident | 79.9 | Confident | 66 Ų | 66 | 85.1 Ų | 85.1 | 41% | 0.405 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.4 | -22.8 | 175.6 | 62.7 | 0 | 0 | 0 | 0 | 114.1 | A168 L169 P176 | A168-T172 VanDerWaalsContact O-CG2 3.22Å; A168-T172 WeakPolarHBondContact O-CG2 3.47Å; A168-T172 PolarHBondContact O-N 3.23Å; A168-T172 PolarHBondContact O-OG1 3.41Å; L169-T172 WeakPolarHBondContact CA-OG1 3.19Å; L169-T172 PolarHBondContact O-N 3.47Å; L169-T172 PolarHBondContact O-OG1 2.84Å; T172-P176 WeakPolarHBondContact O-CD 3.44Å; T172-P176 WeakPolarHBondContact O-CG 3.32Å |
| 173 | V | 78.1 | Confident | 79.9 | Confident | 33 Ų | 33 | 86.8 Ų | 86.8 | 20% | 0.2 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -93.9 | -48.2 | 179 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | T76 L169 W170 D171 L177 | T76-V173 HydrophobicContact CG2-CB 4.23Å; T76-V173 HydrophobicContact CG2-CG1 3.57Å; T76-V173 HydrophobicContact CG2-CG2 3.7Å; L169-V173 VanDerWaalsContact O-CG2 3.31Å; L169-V173 WeakPolarHBondContact O-CG2 3.36Å; L169-V173 PolarHBondContact O-N 3.34Å; W170-V173 PolarHBondContact O-N 3.43Å; D171-V173 PolarHBondContact O-N 2.95Å; V173-L177 HydrophobicContact CG1-CD1 3.86Å; V173-L177 WeakPolarHBondContact O-CD1 3.43Å; V173-L177 VanDerWaalsContact O-CG 3.29Å; V173-L177 WeakPolarHBondContact O-CG 3.45Å; V173-L177 PolarHBondContact O-N 3.48Å |
| 174 | T | 77.8 | Confident | 80 | Confident | 27 Ų | 27 | 82 Ų | 82 | 17% | 0.166 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -70.9 | -38.9 | -176.7 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | W170 L177 W178 | W170-T174 HydrophobicContact CD2-CG2 3.91Å; W170-T174 VanDerWaalsContact CE2-CG2 3.49Å; W170-T174 HydrophobicContact CG-CG2 4.26Å; W170-T174 HydrophobicContact CH2-CG2 4.4Å; W170-T174 HydrophobicContact CZ2-CG2 3.78Å; W170-T174 WeakPolarHBondContact O-CB 3.45Å; W170-T174 WeakPolarHBondContact O-CG2 3.27Å; W170-T174 PolarHBondContact O-N 3.37Å; W170-T174 PolarHBondContact O-OG1 2.83Å; T174-L177 PolarHBondContact O-N 2.84Å; T174-W178 PolarHBondContact O-N 2.79Å |
| 175 | G | 82.9 | Confident | 80 | Confident | 23 Ų | 23 | 81.4 Ų | 81.4 | 24% | 0.237 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -56.2 | -54.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D171 L177 W178 R179 | D171-G175 PolarHBondContact O-N 3.43Å; G175-L177 PolarHBondContact O-N 3.28Å; G175-W178 PolarHBondContact O-N 2.96Å; G175-R179 PolarHBondContact O-N 3.5Å; G175-R179 VanDerWaalsContact O-N 3.08Å |
| 176 | P | 78.1 | Confident | 80 | Confident | 49 Ų | 49 | 80.9 Ų | 80.9 | 32% | 0.318 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 174.8 | -26.8 | 36.8 | 0 | 0 | 0 | 113 | T172 W178 R179 M180 | T172-P176 WeakPolarHBondContact O-CD 3.44Å; T172-P176 WeakPolarHBondContact O-CG 3.32Å; P176-W178 PolarHBondContact O-N 3.35Å; P176-R179 PolarHBondContact O-N 2.87Å; P176-M180 WeakPolarHBondContact O-CB 3.29Å; P176-M180 WeakPolarHBondContact O-CG 3.46Å; P176-M180 PolarHBondContact O-N 3.03Å |
| 177 | L | 77 | Confident | 80.1 | Confident | 80 Ų | 80 | 81.5 Ų | 81.5 | 42% | 0.419 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.2 | -48 | 178.7 | -77.1 | 170.2 | 0 | 0 | 0 | 112 | V72 V173 T174 G175 R179 M180 T181 | V72-L177 HydrophobicContact CG1-CD2 3.89Å; V72-L177 HydrophobicContact CG1-CG 4.28Å; V173-L177 HydrophobicContact CG1-CD1 3.86Å; V173-L177 WeakPolarHBondContact O-CD1 3.43Å; V173-L177 VanDerWaalsContact O-CG 3.29Å; V173-L177 WeakPolarHBondContact O-CG 3.45Å; V173-L177 PolarHBondContact O-N 3.48Å; T174-L177 PolarHBondContact O-N 2.84Å; G175-L177 PolarHBondContact O-N 3.28Å; L177-R179 PolarHBondContact O-N 3.46Å; L177-M180 PolarHBondContact O-N 2.95Å; L177-T181 WeakPolarHBondContact O-CG2 3.33Å; L177-T181 PolarHBondContact O-N 2.98Å; L177-T181 PolarHBondContact O-OG1 3.25Å |
| 178 | W | 80 | Confident | 80.1 | Confident | 177 Ų | 177 | 81 Ų | 81 | 67% | 0.67 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.1 | -42.1 | 176.3 | -78.6 | 108.9 | 0 | 0 | 0 | 112.3 | T174 G175 P176 M180 T181 D182 | T174-W178 PolarHBondContact O-N 2.79Å; G175-W178 PolarHBondContact O-N 2.96Å; P176-W178 PolarHBondContact O-N 3.35Å; W178-M180 VanDerWaalsContact C-N 3.34Å; W178-M180 PolarHBondContact O-N 2.87Å; W178-T181 WeakPolarHBondContact CA-OG1 3.31Å; W178-T181 PolarHBondContact O-N 3.29Å; W178-T181 PolarHBondContact O-OG1 3.44Å; W178-D182 PolarHBondContact O-N 2.96Å |
| 179 | R | 82.7 | Confident | 80.3 | Confident | 184 Ų | 184 | 81.1 Ų | 81.1 | 69% | 0.694 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.4 | -38.5 | 174.6 | -73.2 | -170.8 | -179.6 | 139.4 | 3.4 | 112.4 | G175 P176 L177 D182 V183 | G175-R179 PolarHBondContact O-N 3.5Å; G175-R179 VanDerWaalsContact O-N 3.08Å; P176-R179 PolarHBondContact O-N 2.87Å; L177-R179 PolarHBondContact O-N 3.46Å; R179-D182 PolarHBondContact O-N 3.48Å; R179-V183 WeakPolarHBondContact O-CB 3.28Å; R179-V183 VanDerWaalsContact O-CG2 3.24Å; R179-V183 WeakPolarHBondContact O-CG2 3.44Å; R179-V183 PolarHBondContact O-N 2.86Å |
| 180 | M | 77.4 | Confident | 80.5 | Confident | 62 Ų | 62 | 85.2 Ų | 85.2 | 31% | 0.305 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 175.6 | -68.8 | -40.8 | 169.6 | 0 | 0 | 110.8 | L68 P176 L177 W178 D182 V183 V184 | L68-M180 HydrophobicContact CD1-CE 3.88Å; L68-M180 HydrophobicContact CD1-SD 4.32Å; L68-M180 HydrophobicContact CD2-CE 4.17Å; L68-M180 HydrophobicContact CD2-CG 4.06Å; L68-M180 HydrophobicContact CD2-SD 3.48Å; L68-M180 WeakPolarHBondContact CD2-SD 3.37Å; L68-M180 HydrophobicContact CG-CE 4.26Å; L68-M180 HydrophobicContact CG-CG 4.46Å; L68-M180 HydrophobicContact CG-SD 4.15Å; P176-M180 WeakPolarHBondContact O-CB 3.29Å; P176-M180 WeakPolarHBondContact O-CG 3.46Å; P176-M180 PolarHBondContact O-N 3.03Å; L177-M180 PolarHBondContact O-N 2.95Å; W178-M180 VanDerWaalsContact C-N 3.34Å; W178-M180 PolarHBondContact O-N 2.87Å; M180-D182 VanDerWaalsContact C-N 3.33Å; M180-D182 PolarHBondContact O-N 3.5Å; M180-V183 PolarHBondContact O-N 2.88Å; M180-V184 WeakPolarHBondContact O-CB 3.47Å; M180-V184 WeakPolarHBondContact O-CG2 3.49Å; M180-V184 PolarHBondContact O-N 3.35Å |
| 181 | T | 76.8 | Confident | 80.5 | Confident | 74 Ų | 74 | 78.8 Ų | 78.8 | 45% | 0.454 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 176 | 51.4 | 0 | 0 | 0 | 0 | 112.3 | L177 W178 V184 A185 | L177-T181 WeakPolarHBondContact O-CG2 3.33Å; L177-T181 PolarHBondContact O-N 2.98Å; L177-T181 PolarHBondContact O-OG1 3.25Å; W178-T181 WeakPolarHBondContact CA-OG1 3.31Å; W178-T181 PolarHBondContact O-N 3.29Å; W178-T181 PolarHBondContact O-OG1 3.44Å; T181-V184 PolarHBondContact O-N 3.5Å; T181-A185 WeakPolarHBondContact O-CB 3.43Å; T181-A185 PolarHBondContact O-N 3.35Å |
| 182 | D | 85.6 | Confident | 80.5 | Confident | 105 Ų | 105 | 76.5 Ų | 76.5 | 56% | 0.561 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.3 | -42.5 | 176.1 | -75 | -17.3 | 0 | 0 | 0 | 111.9 | W178 R179 M180 A185 A186 | W178-D182 PolarHBondContact O-N 2.96Å; R179-D182 PolarHBondContact O-N 3.48Å; M180-D182 VanDerWaalsContact C-N 3.33Å; M180-D182 PolarHBondContact O-N 3.5Å; D182-A185 PolarHBondContact O-N 3.46Å; D182-A186 WeakPolarHBondContact O-CB 3.47Å; D182-A186 PolarHBondContact O-N 2.91Å |
| 183 | V | 81.3 | Confident | 80.9 | Confident | 95 Ų | 95 | 77 Ų | 77 | 58% | 0.576 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | 175.8 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | R179 M180 A186 F187 | R179-V183 WeakPolarHBondContact O-CB 3.28Å; R179-V183 VanDerWaalsContact O-CG2 3.24Å; R179-V183 WeakPolarHBondContact O-CG2 3.44Å; R179-V183 PolarHBondContact O-N 2.86Å; M180-V183 PolarHBondContact O-N 2.88Å; V183-A186 PolarHBondContact O-N 3.41Å; V183-F187 WeakPolarHBondContact O-CB 3.27Å; V183-F187 PolarHBondContact O-N 3.48Å |
| 184 | V | 80.1 | Confident | 81.1 | Confident | 42 Ų | 42 | 77.8 Ų | 77.8 | 26% | 0.255 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 175 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | L65 M180 T181 F187 L188 | L65-V184 HydrophobicContact CD2-CG2 3.42Å; L65-V184 VanDerWaalsContact CD2-CG2 3.42Å; M180-V184 WeakPolarHBondContact O-CB 3.47Å; M180-V184 WeakPolarHBondContact O-CG2 3.49Å; M180-V184 PolarHBondContact O-N 3.35Å; T181-V184 PolarHBondContact O-N 3.5Å; V184-F187 PolarHBondContact O-N 2.93Å; V184-L188 HydrophobicContact CG1-CD1 4.01Å; V184-L188 HydrophobicContact CG1-CG 4.39Å; V184-L188 WeakPolarHBondContact O-CB 3.44Å; V184-L188 WeakPolarHBondContact O-CG 3.34Å; V184-L188 PolarHBondContact O-N 2.91Å |
| 185 | A | 81.6 | Confident | 81.4 | Confident | 55 Ų | 55 | 78.4 Ų | 78.4 | 46% | 0.455 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T181 D182 F187 L188 A189 | T181-A185 WeakPolarHBondContact O-CB 3.43Å; T181-A185 PolarHBondContact O-N 3.35Å; D182-A185 PolarHBondContact O-N 3.46Å; A185-F187 VanDerWaalsContact C-N 3.31Å; A185-F187 PolarHBondContact O-N 2.94Å; A185-L188 PolarHBondContact O-N 3.43Å; A185-A189 WeakPolarHBondContact O-CB 3.33Å; A185-A189 PolarHBondContact O-N 2.9Å |
| 186 | A | 83.6 | Confident | 81.3 | Confident | 62 Ų | 62 | 81.5 Ų | 81.5 | 51% | 0.512 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D182 V183 A189 H190 | D182-A186 WeakPolarHBondContact O-CB 3.47Å; D182-A186 PolarHBondContact O-N 2.91Å; V183-A186 PolarHBondContact O-N 3.41Å; A186-A189 PolarHBondContact O-N 3.34Å; A186-H190 PolarHBondContact O-N 2.98Å |
| 187 | F | 80.9 | Confident | 81.6 | Confident | 76 Ų | 76 | 81.3 Ų | 81.3 | 33% | 0.333 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 176.4 | -177.7 | -98.3 | 0 | 0 | 0 | 112.2 | V61 V183 V184 A185 A189 H190 I191 | V61-F187 HydrophobicContact CB-CE1 4.02Å; V61-F187 HydrophobicContact CB-CZ 4.38Å; V61-F187 HydrophobicContact CG1-CD1 4.06Å; V61-F187 HydrophobicContact CG1-CE1 3.37Å; V61-F187 HydrophobicContact CG1-CZ 4.16Å; V61-F187 HydrophobicContact CG2-CE1 3.39Å; V61-F187 HydrophobicContact CG2-CZ 3.31Å; V183-F187 WeakPolarHBondContact O-CB 3.27Å; V183-F187 PolarHBondContact O-N 3.48Å; V184-F187 PolarHBondContact O-N 2.93Å; A185-F187 VanDerWaalsContact C-N 3.31Å; A185-F187 PolarHBondContact O-N 2.94Å; F187-A189 VanDerWaalsContact C-N 3.33Å; F187-A189 PolarHBondContact O-N 3.49Å; F187-H190 WeakPolarHBondContact O-CB 3.34Å; F187-H190 PolarHBondContact O-N 3.5Å; F187-H190 VanDerWaalsContact O-N 3.13Å; F187-I191 HydrophobicContact CD1-CD1 3.86Å; F187-I191 HydrophobicContact CD1-CG1 4.34Å; F187-I191 HydrophobicContact CE1-CD1 3.09Å; F187-I191 HydrophobicContact CE1-CG1 3.84Å; F187-I191 HydrophobicContact CZ-CD1 3.49Å; F187-I191 VanDerWaalsContact CZ-CD1 3.49Å; F187-I191 HydrophobicContact CZ-CG1 3.96Å; F187-I191 PolarHBondContact O-N 3.26Å |
| 188 | L | 80 | Confident | 81.8 | Confident | 102 Ų | 102 | 83.1 Ų | 83.1 | 53% | 0.534 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63 | -38.7 | 174.2 | -72.2 | 173.2 | 0 | 0 | 0 | 112.1 | V184 A185 H190 I191 S192 | V184-L188 HydrophobicContact CG1-CD1 4.01Å; V184-L188 HydrophobicContact CG1-CG 4.39Å; V184-L188 WeakPolarHBondContact O-CB 3.44Å; V184-L188 WeakPolarHBondContact O-CG 3.34Å; V184-L188 PolarHBondContact O-N 2.91Å; A185-L188 PolarHBondContact O-N 3.43Å; L188-H190 VanDerWaalsContact C-N 3.31Å; L188-H190 PolarHBondContact O-N 3.5Å; L188-I191 PolarHBondContact O-N 2.92Å; L188-S192 WeakPolarHBondContact O-CB 3.47Å; L188-S192 PolarHBondContact O-N 3.42Å; L188-S192 PolarHBondContact O-OG 3.11Å |
| 189 | A | 83.1 | Confident | 81.9 | Confident | 55 Ų | 55 | 77.7 Ų | 77.7 | 46% | 0.455 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A185 A186 F187 S192 S193 | A185-A189 WeakPolarHBondContact O-CB 3.33Å; A185-A189 PolarHBondContact O-N 2.9Å; A186-A189 PolarHBondContact O-N 3.34Å; F187-A189 VanDerWaalsContact C-N 3.33Å; F187-A189 PolarHBondContact O-N 3.49Å; A189-S192 WeakPolarHBondContact CA-OG 3.35Å; A189-S192 PolarHBondContact O-OG 3Å; A189-S193 VanDerWaalsContact O-CB 3.3Å; A189-S193 WeakPolarHBondContact O-CB 3.17Å; A189-S193 PolarHBondContact O-N 3.37Å |
| 190 | H | 84.1 | Confident | 81.9 | Confident | 130 Ų | 130 | 74.4 Ų | 74.4 | 60% | 0.602 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -68.1 | -42.1 | 176 | -169 | 68.4 | 0 | 0 | 0 | 112.7 | A186 F187 L188 S193 S194 | A186-H190 PolarHBondContact O-N 2.98Å; F187-H190 WeakPolarHBondContact O-CB 3.34Å; F187-H190 PolarHBondContact O-N 3.5Å; F187-H190 VanDerWaalsContact O-N 3.13Å; L188-H190 VanDerWaalsContact C-N 3.31Å; L188-H190 PolarHBondContact O-N 3.5Å; H190-S193 PolarHBondContact O-N 3.45Å; H190-S194 VanDerWaalsContact O-CB 3.31Å; H190-S194 WeakPolarHBondContact O-CB 3.25Å; H190-S194 PolarHBondContact O-N 2.89Å; H190-S194 PolarHBondContact O-OG 3.37Å |
| 191 | I | 80.6 | Confident | 82.2 | Confident | 43 Ų | 43 | 77 Ų | 77 | 22% | 0.221 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -61.4 | -48 | 174.7 | -72.3 | -174.9 | 0 | 0 | 0 | 110.8 | F187 L188 S193 S194 A195 | F187-I191 HydrophobicContact CD1-CD1 3.86Å; F187-I191 HydrophobicContact CD1-CG1 4.34Å; F187-I191 HydrophobicContact CE1-CD1 3.09Å; F187-I191 HydrophobicContact CE1-CG1 3.84Å; F187-I191 HydrophobicContact CZ-CD1 3.49Å; F187-I191 VanDerWaalsContact CZ-CD1 3.49Å; F187-I191 HydrophobicContact CZ-CG1 3.96Å; F187-I191 PolarHBondContact O-N 3.26Å; L188-I191 PolarHBondContact O-N 2.92Å; I191-S193 PolarHBondContact O-N 2.98Å; I191-S194 WeakPolarHBondContact CA-OG 3.38Å; I191-S194 PolarHBondContact O-N 2.95Å; I191-S194 PolarHBondContact O-OG 2.63Å; I191-A195 VanDerWaalsContact O-CB 3.27Å; I191-A195 WeakPolarHBondContact O-CB 3.09Å; I191-A195 PolarHBondContact O-N 3.43Å |
| 192 | S | 81.6 | Confident | 82.6 | Confident | 66 Ų | 66 | 76.2 Ų | 76.2 | 46% | 0.462 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | -179.8 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | L188 A189 S194 A195 V196 | L188-S192 WeakPolarHBondContact O-CB 3.47Å; L188-S192 PolarHBondContact O-N 3.42Å; L188-S192 PolarHBondContact O-OG 3.11Å; A189-S192 WeakPolarHBondContact CA-OG 3.35Å; A189-S192 PolarHBondContact O-OG 3Å; S192-S194 PolarHBondContact O-N 3.41Å; S192-A195 PolarHBondContact O-N 2.88Å; S192-V196 WeakPolarHBondContact O-CG2 3.44Å; S192-V196 PolarHBondContact O-N 2.68Å |
| 193 | S | 86.3 | Confident | 82.6 | Confident | 78 Ų | 78 | 79.4 Ų | 79.4 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 175.8 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | A189 H190 I191 V196 A197 | A189-S193 VanDerWaalsContact O-CB 3.3Å; A189-S193 WeakPolarHBondContact O-CB 3.17Å; A189-S193 PolarHBondContact O-N 3.37Å; H190-S193 PolarHBondContact O-N 3.45Å; I191-S193 PolarHBondContact O-N 2.98Å; S193-V196 PolarHBondContact O-N 3.01Å; S193-A197 WeakPolarHBondContact O-CB 3.33Å; S193-A197 PolarHBondContact O-N 3.47Å |
| 194 | S | 82.6 | Confident | 82.7 | Confident | 48 Ų | 48 | 79.1 Ų | 79.1 | 34% | 0.336 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -71.2 | -36.6 | 178.5 | 55.5 | 0 | 0 | 0 | 0 | 112 | H190 I191 S192 V196 A197 M198 | H190-S194 VanDerWaalsContact O-CB 3.31Å; H190-S194 WeakPolarHBondContact O-CB 3.25Å; H190-S194 PolarHBondContact O-N 2.89Å; H190-S194 PolarHBondContact O-OG 3.37Å; I191-S194 WeakPolarHBondContact CA-OG 3.38Å; I191-S194 PolarHBondContact O-N 2.95Å; I191-S194 PolarHBondContact O-OG 2.63Å; S192-S194 PolarHBondContact O-N 3.41Å; S194-V196 PolarHBondContact O-N 3.46Å; S194-A197 PolarHBondContact O-N 2.82Å; S194-M198 WeakPolarHBondContact O-CB 3.48Å; S194-M198 VanDerWaalsContact O-CG 3.28Å; S194-M198 WeakPolarHBondContact O-CG 3.45Å; S194-M198 PolarHBondContact O-N 3.48Å |
| 195 | A | 82.2 | Confident | 82.8 | Confident | 40 Ų | 40 | 80 Ų | 80 | 33% | 0.331 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I191 S192 M198 A199 | I191-A195 VanDerWaalsContact O-CB 3.27Å; I191-A195 WeakPolarHBondContact O-CB 3.09Å; I191-A195 PolarHBondContact O-N 3.43Å; S192-A195 PolarHBondContact O-N 2.88Å; A195-M198 PolarHBondContact O-N 3.3Å; A195-A199 WeakPolarHBondContact O-CB 3.3Å; A195-A199 PolarHBondContact O-N 3.14Å |
| 196 | V | 82.2 | Confident | 82.8 | Confident | 89 Ų | 89 | 79 Ų | 79 | 54% | 0.539 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 174.4 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | S192 S193 S194 M198 A199 I200 | S192-V196 WeakPolarHBondContact O-CG2 3.44Å; S192-V196 PolarHBondContact O-N 2.68Å; S193-V196 PolarHBondContact O-N 3.01Å; S194-V196 PolarHBondContact O-N 3.46Å; V196-M198 PolarHBondContact O-N 3.21Å; V196-A199 WeakPolarHBondContact O-CB 3.28Å; V196-A199 PolarHBondContact O-N 3.42Å; V196-I200 HydrophobicContact CG1-CD1 3.85Å; V196-I200 HydrophobicContact CG1-CG1 4.49Å; V196-I200 VanDerWaalsContact O-CG1 3.32Å; V196-I200 WeakPolarHBondContact O-CG1 3.35Å; V196-I200 PolarHBondContact O-N 2.91Å |
| 197 | A | 83.1 | Confident | 83 | Confident | 45 Ų | 45 | 80 Ų | 80 | 37% | 0.372 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S193 S194 I200 L201 | S193-A197 WeakPolarHBondContact O-CB 3.33Å; S193-A197 PolarHBondContact O-N 3.47Å; S194-A197 PolarHBondContact O-N 2.82Å; A197-I200 PolarHBondContact O-N 2.99Å; A197-L201 WeakPolarHBondContact O-CB 3.46Å; A197-L201 WeakPolarHBondContact O-CG 3.17Å; A197-L201 PolarHBondContact O-N 3.31Å |
| 198 | M | 82.1 | Confident | 83.3 | Confident | 117 Ų | 117 | 82.1 Ų | 82.1 | 58% | 0.576 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.1 | -39.4 | 175.2 | -71.5 | -57.6 | -63.7 | 0 | 0 | 111.8 | S194 A195 V196 I200 L201 L202 | S194-M198 WeakPolarHBondContact O-CB 3.48Å; S194-M198 VanDerWaalsContact O-CG 3.28Å; S194-M198 WeakPolarHBondContact O-CG 3.45Å; S194-M198 PolarHBondContact O-N 3.48Å; A195-M198 PolarHBondContact O-N 3.3Å; V196-M198 PolarHBondContact O-N 3.21Å; M198-I200 VanDerWaalsContact C-N 3.35Å; M198-I200 PolarHBondContact O-N 2.96Å; M198-L201 PolarHBondContact O-N 3.45Å; M198-L201 HydrophobicContact SD-CD1 4.37Å; M198-L202 WeakPolarHBondContact O-CB 3.3Å; M198-L202 PolarHBondContact O-N 3.41Å |
| 199 | A | 81.9 | Confident | 83.4 | Confident | 64 Ų | 64 | 77.9 Ų | 77.9 | 53% | 0.529 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A195 V196 L202 W203 | A195-A199 WeakPolarHBondContact O-CB 3.3Å; A195-A199 PolarHBondContact O-N 3.14Å; V196-A199 WeakPolarHBondContact O-CB 3.28Å; V196-A199 PolarHBondContact O-N 3.42Å; A199-L202 PolarHBondContact O-N 3.41Å; A199-W203 WeakPolarHBondContact O-CB 3.31Å; A199-W203 PolarHBondContact O-N 2.86Å |
| 200 | I | 83.9 | Confident | 83.4 | Confident | 114 Ų | 114 | 79.4 Ų | 79.4 | 59% | 0.585 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -66.9 | -45.2 | 176.9 | -66.1 | 165.2 | 0 | 0 | 0 | 111.1 | V196 A197 M198 L202 W203 | V196-I200 HydrophobicContact CG1-CD1 3.85Å; V196-I200 HydrophobicContact CG1-CG1 4.49Å; V196-I200 VanDerWaalsContact O-CG1 3.32Å; V196-I200 WeakPolarHBondContact O-CG1 3.35Å; V196-I200 PolarHBondContact O-N 2.91Å; A197-I200 PolarHBondContact O-N 2.99Å; M198-I200 VanDerWaalsContact C-N 3.35Å; M198-I200 PolarHBondContact O-N 2.96Å; I200-L202 VanDerWaalsContact C-N 3.28Å; I200-L202 PolarHBondContact O-N 3.37Å; I200-W203 WeakPolarHBondContact O-CB 3.4Å; I200-W203 PolarHBondContact O-N 2.97Å |
| 201 | L | 83.6 | Confident | 83.7 | Confident | 118 Ų | 118 | 78.1 Ų | 78.1 | 62% | 0.618 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.8 | -34.7 | 178.3 | -74.7 | 171.6 | 0 | 0 | 0 | 112.3 | A197 M198 P205 | A197-L201 WeakPolarHBondContact O-CB 3.46Å; A197-L201 WeakPolarHBondContact O-CG 3.17Å; A197-L201 PolarHBondContact O-N 3.31Å; M198-L201 PolarHBondContact O-N 3.45Å; M198-L201 HydrophobicContact SD-CD1 4.37Å; L201-P205 WeakPolarHBondContact O-CD 3.41Å |
| 202 | L | 83.3 | Confident | 83.9 | Confident | 56 Ų | 56 | 80.6 Ų | 80.6 | 29% | 0.293 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -85.5 | -19.1 | -178.9 | -157.9 | 60 | 0 | 0 | 0 | 112.8 | L46 V50 M198 A199 I200 P205 C206 | L46-L202 HydrophobicContact CD1-CD1 4.1Å; L46-L202 HydrophobicContact CD1-CD2 4.32Å; L46-L202 HydrophobicContact CD1-CG 4.37Å; L46-L202 HydrophobicContact CD2-CD2 3.58Å; L46-L202 HydrophobicContact CD2-CG 4.19Å; L46-L202 HydrophobicContact CG-CD2 4.13Å; V50-L202 HydrophobicContact CG2-CD2 4.13Å; M198-L202 WeakPolarHBondContact O-CB 3.3Å; M198-L202 PolarHBondContact O-N 3.41Å; A199-L202 PolarHBondContact O-N 3.41Å; I200-L202 VanDerWaalsContact C-N 3.28Å; I200-L202 PolarHBondContact O-N 3.37Å; L202-P205 HydrophobicContact CD1-CG 4.25Å; L202-P205 VanDerWaalsContact O-CD 3.3Å; L202-P205 WeakPolarHBondContact O-CD 3.42Å; L202-P205 VanDerWaalsContact O-CG 3.3Å; L202-P205 WeakPolarHBondContact O-CG 3.32Å; L202-C206 WeakPolarHBondContact O-CB 3.21Å; L202-C206 PolarHBondContact O-N 2.93Å; L202-C206 VanDerWaalsContact O-N 3.14Å |
| 203 | W | 85.6 | Confident | 84 | Confident | 172 Ų | 172 | 79.3 Ų | 79.3 | 65% | 0.652 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.1 | -50 | 178.3 | 176.8 | -94.5 | 0 | 0 | 0 | 112.2 | A199 I200 C206 Q207 | A199-W203 WeakPolarHBondContact O-CB 3.31Å; A199-W203 PolarHBondContact O-N 2.86Å; I200-W203 WeakPolarHBondContact O-CB 3.4Å; I200-W203 PolarHBondContact O-N 2.97Å; W203-C206 PolarHBondContact O-N 2.87Å; W203-Q207 VanDerWaalsContact NE1-OE1 3.14Å; W203-Q207 WeakPolarHBondContact O-CB 3.26Å; W203-Q207 PolarHBondContact O-N 2.9Å |
| 204 | T | 84.2 | Confident | 83.9 | Confident | 90 Ų | 90 | 77.7 Ų | 77.7 | 55% | 0.552 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -62.9 | -47 | -177.3 | 47.6 | 0 | 0 | 0 | 0 | 114.1 | C206 Q207 L208 | T204-C206 VanDerWaalsContact C-N 3.33Å; T204-C206 PolarHBondContact O-N 3.28Å; T204-Q207 PolarHBondContact O-N 3.03Å; T204-L208 WeakPolarHBondContact O-CB 3.35Å; T204-L208 PolarHBondContact O-N 3.36Å |
| 205 | P | 82.4 | Confident | 84.1 | Confident | 61 Ų | 61 | 77.4 Ų | 77.4 | 40% | 0.396 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.9 | -33.1 | 175.2 | 26.9 | -35.3 | 0 | 0 | 0 | 112.3 | L201 L202 L208 A209 | L201-P205 WeakPolarHBondContact O-CD 3.41Å; L202-P205 HydrophobicContact CD1-CG 4.25Å; L202-P205 VanDerWaalsContact O-CD 3.3Å; L202-P205 WeakPolarHBondContact O-CD 3.42Å; L202-P205 VanDerWaalsContact O-CG 3.3Å; L202-P205 WeakPolarHBondContact O-CG 3.32Å; P205-L208 PolarHBondContact O-N 2.9Å; P205-A209 WeakPolarHBondContact O-CB 3.43Å; P205-A209 PolarHBondContact O-N 2.88Å |
| 206 | C | 82.4 | Confident | 84 | Confident | 33 Ų | 33 | 76 Ų | 76 | 22% | 0.223 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.6 | -42.5 | 177.2 | -160.7 | 0 | 0 | 0 | 0 | 111.4 | L202 W203 T204 A209 L210 | L202-C206 WeakPolarHBondContact O-CB 3.21Å; L202-C206 PolarHBondContact O-N 2.93Å; L202-C206 VanDerWaalsContact O-N 3.14Å; W203-C206 PolarHBondContact O-N 2.87Å; T204-C206 VanDerWaalsContact C-N 3.33Å; T204-C206 PolarHBondContact O-N 3.28Å; C206-A209 PolarHBondContact O-N 3.48Å; C206-L210 WeakPolarHBondContact O-CG 3.35Å; C206-L210 PolarHBondContact O-N 3.32Å |
| 207 | Q | 87.2 | Confident | 83.9 | Confident | 84 Ų | 84 | 74 Ų | 74 | 39% | 0.393 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.2 | -48.2 | 172.9 | -178.5 | -179.5 | -14.2 | 0 | 0 | 111 | W203 T204 A209 L210 E211 | W203-Q207 VanDerWaalsContact NE1-OE1 3.14Å; W203-Q207 WeakPolarHBondContact O-CB 3.26Å; W203-Q207 PolarHBondContact O-N 2.9Å; T204-Q207 PolarHBondContact O-N 3.03Å; Q207-A209 VanDerWaalsContact C-N 3.33Å; Q207-A209 PolarHBondContact O-N 3.39Å; Q207-L210 PolarHBondContact O-N 3.07Å; Q207-E211 PolarHBondContact NE2-OE1 2.92Å; Q207-E211 WeakPolarHBondContact O-CG 3.34Å; Q207-E211 PolarHBondContact O-N 2.97Å |
| 208 | L | 87.1 | Confident | 84.1 | Confident | 119 Ų | 119 | 80 Ų | 80 | 62% | 0.623 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.5 | -42.5 | 177.7 | -173.8 | 71.1 | 0 | 0 | 0 | 111.8 | T204 P205 L210 E211 L212 | T204-L208 WeakPolarHBondContact O-CB 3.35Å; T204-L208 PolarHBondContact O-N 3.36Å; P205-L208 PolarHBondContact O-N 2.9Å; L208-L210 VanDerWaalsContact C-N 3.34Å; L208-L210 PolarHBondContact O-N 3.31Å; L208-E211 PolarHBondContact O-N 3.48Å; L208-L212 VanDerWaalsContact O-CB 3.29Å; L208-L212 WeakPolarHBondContact O-CB 3.37Å; L208-L212 PolarHBondContact O-N 3.36Å |
| 209 | A | 82.9 | Confident | 84.2 | Confident | 13 Ų | 13 | 79.5 Ų | 79.5 | 11% | 0.107 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62 | -40.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | L39 V43 P205 C206 Q207 L212 L213 | L39-A209 HydrophobicContact CD2-CB 3.93Å; V43-A209 HydrophobicContact CG2-CB 4.48Å; P205-A209 WeakPolarHBondContact O-CB 3.43Å; P205-A209 PolarHBondContact O-N 2.88Å; C206-A209 PolarHBondContact O-N 3.48Å; Q207-A209 VanDerWaalsContact C-N 3.33Å; Q207-A209 PolarHBondContact O-N 3.39Å; A209-L212 PolarHBondContact O-N 2.9Å; A209-L213 WeakPolarHBondContact O-CB 3.49Å; A209-L213 PolarHBondContact O-N 3.46Å |
| 210 | L | 82.8 | Confident | 84 | Confident | 87 Ų | 87 | 77.3 Ų | 77.3 | 46% | 0.455 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.7 | -41 | 176.2 | -70.8 | 170.7 | 0 | 0 | 0 | 112.3 | C206 Q207 L208 L212 L213 A214 | C206-L210 WeakPolarHBondContact O-CG 3.35Å; C206-L210 PolarHBondContact O-N 3.32Å; Q207-L210 PolarHBondContact O-N 3.07Å; L208-L210 VanDerWaalsContact C-N 3.34Å; L208-L210 PolarHBondContact O-N 3.31Å; L210-L212 VanDerWaalsContact C-N 3.34Å; L210-L213 WeakPolarHBondContact O-CB 3.29Å; L210-L213 PolarHBondContact O-N 2.91Å; L210-A214 WeakPolarHBondContact O-CB 3.08Å; L210-A214 PolarHBondContact O-N 2.85Å |
| 211 | E | 89.9 | Confident | 83.8 | Confident | 104 Ų | 104 | 74.8 Ų | 74.8 | 49% | 0.486 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.4 | -38 | 174.9 | -73.1 | 179.1 | -166.8 | 0 | 0 | 111.8 | Q207 L208 A214 S215 | Q207-E211 PolarHBondContact NE2-OE1 2.92Å; Q207-E211 WeakPolarHBondContact O-CG 3.34Å; Q207-E211 PolarHBondContact O-N 2.97Å; L208-E211 PolarHBondContact O-N 3.48Å; E211-A214 PolarHBondContact O-N 3.46Å; E211-S215 WeakPolarHBondContact O-CB 3.38Å; E211-S215 PolarHBondContact O-N 3.05Å; E211-S215 PolarHBondContact O-OG 3.41Å |
| 212 | L | 84.8 | Confident | 83.8 | Confident | 94 Ų | 94 | 72 Ų | 72 | 49% | 0.492 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 172.7 | -173.8 | 67.3 | 0 | 0 | 0 | 111.1 | L39 L208 A209 L210 A214 S215 A216 | L39-L212 HydrophobicContact CD1-CD2 3.94Å; L39-L212 HydrophobicContact CD1-CG 4.44Å; L39-L212 HydrophobicContact CD2-CD2 4.44Å; L208-L212 VanDerWaalsContact O-CB 3.29Å; L208-L212 WeakPolarHBondContact O-CB 3.37Å; L208-L212 PolarHBondContact O-N 3.36Å; A209-L212 PolarHBondContact O-N 2.9Å; L210-L212 VanDerWaalsContact C-N 3.34Å; L212-A214 VanDerWaalsContact C-N 3.35Å; L212-A214 PolarHBondContact O-N 2.99Å; L212-S215 WeakPolarHBondContact CA-OG 3.41Å; L212-S215 PolarHBondContact O-N 3.43Å; L212-S215 PolarHBondContact O-OG 3.14Å; L212-A216 WeakPolarHBondContact O-CB 3.34Å; L212-A216 PolarHBondContact O-N 2.91Å |
| 213 | L | 82.8 | Confident | 83.7 | Confident | 39 Ų | 39 | 72 Ų | 72 | 20% | 0.204 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 176.2 | -164.3 | 84.7 | 0 | 0 | 0 | 110.9 | L36 L39 L40 A209 L210 A217 | L36-L213 HydrophobicContact CB-CD1 4.42Å; L36-L213 HydrophobicContact CD2-CD1 3.38Å; L36-L213 HydrophobicContact CD2-CG 3.95Å; L36-L213 HydrophobicContact CG-CD1 4.5Å; L39-L213 HydrophobicContact CB-CD1 3.89Å; L40-L213 HydrophobicContact CD1-CD2 4.11Å; A209-L213 WeakPolarHBondContact O-CB 3.49Å; A209-L213 PolarHBondContact O-N 3.46Å; L210-L213 WeakPolarHBondContact O-CB 3.29Å; L210-L213 PolarHBondContact O-N 2.91Å; L213-A217 VanDerWaalsContact O-CB 3.24Å; L213-A217 WeakPolarHBondContact O-CB 3.32Å; L213-A217 PolarHBondContact O-N 2.95Å |
| 214 | A | 84.1 | Confident | 83.3 | Confident | 44 Ų | 44 | 66.9 Ų | 66.9 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68 | -36.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L210 E211 L212 R218 | L210-A214 WeakPolarHBondContact O-CB 3.08Å; L210-A214 PolarHBondContact O-N 2.85Å; E211-A214 PolarHBondContact O-N 3.46Å; L212-A214 VanDerWaalsContact C-N 3.35Å; L212-A214 PolarHBondContact O-N 2.99Å; A214-R218 WeakPolarHBondContact O-CB 3.47Å; A214-R218 WeakPolarHBondContact O-CG 3.4Å; A214-R218 PolarHBondContact O-N 3.01Å; A214-R218 PolarHBondContact O-NE 2.98Å |
| 215 | S | 87.4 | Confident | 83.1 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 29% | 0.294 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.5 | -44.7 | 175 | 54 | 0 | 0 | 0 | 0 | 111.9 | E211 L212 A217 R218 L219 | E211-S215 WeakPolarHBondContact O-CB 3.38Å; E211-S215 PolarHBondContact O-N 3.05Å; E211-S215 PolarHBondContact O-OG 3.41Å; L212-S215 WeakPolarHBondContact CA-OG 3.41Å; L212-S215 PolarHBondContact O-N 3.43Å; L212-S215 PolarHBondContact O-OG 3.14Å; S215-A217 PolarHBondContact O-N 2.94Å; S215-R218 PolarHBondContact O-N 3Å; S215-L219 WeakPolarHBondContact O-CG 3.25Å; S215-L219 PolarHBondContact O-N 3.06Å |
| 216 | A | 81.3 | Confident | 83.2 | Confident | 10 Ų | 10 | 69.6 Ų | 69.6 | 8% | 0.083 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L32 L36 L212 L219 L220 | L32-A216 HydrophobicContact CD2-CB 3.95Å; L36-A216 HydrophobicContact CD2-CB 3.71Å; L36-A216 HydrophobicContact CG-CB 4.41Å; L212-A216 WeakPolarHBondContact O-CB 3.34Å; L212-A216 PolarHBondContact O-N 2.91Å; A216-L219 PolarHBondContact O-N 3.46Å; A216-L220 PolarHBondContact O-N 3.36Å |
| 217 | A | 80.2 | Confident | 83 | Confident | 48 Ų | 48 | 70.1 Ų | 70.1 | 40% | 0.397 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L213 S215 L220 A221 | L213-A217 VanDerWaalsContact O-CB 3.24Å; L213-A217 WeakPolarHBondContact O-CB 3.32Å; L213-A217 PolarHBondContact O-N 2.95Å; S215-A217 PolarHBondContact O-N 2.94Å; A217-L220 PolarHBondContact O-N 3.21Å; A217-A221 WeakPolarHBondContact O-CB 3.35Å; A217-A221 PolarHBondContact O-N 3.17Å |
| 218 | R | 86 | Confident | 82.5 | Confident | 170 Ų | 170 | 70.9 Ų | 70.9 | 64% | 0.642 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.2 | -42.7 | 174.9 | -79.8 | 179.8 | -73.8 | -162 | 1.5 | 112.1 | A214 S215 A221 S222 | A214-R218 WeakPolarHBondContact O-CB 3.47Å; A214-R218 WeakPolarHBondContact O-CG 3.4Å; A214-R218 PolarHBondContact O-N 3.01Å; A214-R218 PolarHBondContact O-NE 2.98Å; S215-R218 PolarHBondContact O-N 3Å; R218-A221 PolarHBondContact O-N 2.84Å; R218-S222 WeakPolarHBondContact O-CB 3.34Å; R218-S222 PolarHBondContact O-N 3.46Å; R218-S222 PolarHBondContact O-OG 3.46Å |
| 219 | L | 83.5 | Confident | 82.1 | Confident | 108 Ų | 108 | 69.1 Ų | 69.1 | 57% | 0.565 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -60.9 | -48.2 | 176.2 | -74.2 | 170.5 | 0 | 0 | 0 | 110.9 | S215 A216 A221 S222 F223 | S215-L219 WeakPolarHBondContact O-CG 3.25Å; S215-L219 PolarHBondContact O-N 3.06Å; A216-L219 PolarHBondContact O-N 3.46Å; L219-A221 PolarHBondContact O-N 2.9Å; L219-S222 PolarHBondContact O-N 2.9Å; L219-S222 PolarHBondContact O-OG 2.92Å; L219-F223 VanDerWaalsContact O-CB 3.31Å; L219-F223 WeakPolarHBondContact O-CB 3.49Å; L219-F223 PolarHBondContact O-N 3.47Å |
| 220 | L | 78.3 | Confident | 82.2 | Confident | 17 Ų | 17 | 70.4 Ų | 70.4 | 9% | 0.089 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58 | -47 | 174.6 | -82.5 | 169.5 | 0 | 0 | 0 | 112.4 | V29 L32 L36 A216 A217 S222 F223 V224 | V29-L220 HydrophobicContact CB-CD2 4.42Å; V29-L220 HydrophobicContact CG1-CD2 4.32Å; V29-L220 HydrophobicContact CG2-CD2 4.16Å; L32-L220 HydrophobicContact CB-CD1 4.02Å; L32-L220 HydrophobicContact CB-CD2 3.75Å; L32-L220 HydrophobicContact CB-CG 3.99Å; L32-L220 HydrophobicContact CD1-CD2 4.15Å; L32-L220 HydrophobicContact CD1-CG 4.41Å; L32-L220 HydrophobicContact CD2-CD1 4.42Å; L32-L220 HydrophobicContact CD2-CG 4.19Å; L32-L220 HydrophobicContact CG-CD2 4.41Å; L32-L220 HydrophobicContact CG-CG 4.44Å; L36-L220 HydrophobicContact CD1-CD1 3.36Å; L36-L220 HydrophobicContact CG-CD1 4.4Å; A216-L220 PolarHBondContact O-N 3.36Å; A217-L220 PolarHBondContact O-N 3.21Å; L220-S222 VanDerWaalsContact C-N 3.32Å; L220-S222 PolarHBondContact O-N 3.46Å; L220-F223 PolarHBondContact O-N 2.85Å; L220-V224 WeakPolarHBondContact O-CB 3.36Å; L220-V224 VanDerWaalsContact O-CG2 3.26Å; L220-V224 WeakPolarHBondContact O-CG2 3.48Å; L220-V224 PolarHBondContact O-N 3.31Å |
| 221 | A | 79.9 | Confident | 81.8 | Confident | 62 Ų | 62 | 70.9 Ų | 70.9 | 51% | 0.512 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A217 R218 L219 L225 | A217-A221 WeakPolarHBondContact O-CB 3.35Å; A217-A221 PolarHBondContact O-N 3.17Å; R218-A221 PolarHBondContact O-N 2.84Å; L219-A221 PolarHBondContact O-N 2.9Å; A221-L225 VanDerWaalsContact O-CB 3.31Å; A221-L225 WeakPolarHBondContact O-CB 3.31Å; A221-L225 PolarHBondContact O-N 2.85Å |
| 222 | S | 84.1 | Confident | 81.2 | Confident | 59 Ų | 59 | 70.2 Ų | 70.2 | 41% | 0.413 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 177.1 | 72.1 | 0 | 0 | 0 | 0 | 112.3 | R218 L219 L220 L225 V226 | R218-S222 WeakPolarHBondContact O-CB 3.34Å; R218-S222 PolarHBondContact O-N 3.46Å; R218-S222 PolarHBondContact O-OG 3.46Å; L219-S222 PolarHBondContact O-N 2.9Å; L219-S222 PolarHBondContact O-OG 2.92Å; L220-S222 VanDerWaalsContact C-N 3.32Å; L220-S222 PolarHBondContact O-N 3.46Å; S222-L225 PolarHBondContact O-N 3.35Å; S222-V226 VanDerWaalsContact O-CG2 3.3Å; S222-V226 WeakPolarHBondContact O-CG2 3.34Å; S222-V226 PolarHBondContact O-N 2.95Å |
| 223 | F | 80.6 | Confident | 81.1 | Confident | 56 Ų | 56 | 71.5 Ų | 71.5 | 25% | 0.246 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -67.9 | -44.8 | -179.8 | -173.7 | -121 | 0 | 0 | 0 | 111.5 | N25 L28 V29 L219 L220 L225 V226 N227 | N25-F223 HydrophobicContact CB-CE1 3.96Å; N25-F223 HydrophobicContact CB-CZ 3.73Å; N25-F223 VanDerWaalsContact CG-CE1 3.41Å; N25-F223 WeakPolarHBondContact OD1-CE1 3.39Å; N25-F223 WeakPolarHBondContact OD1-CZ 3.21Å; L28-F223 HydrophobicContact CB-CE1 4.48Å; L28-F223 HydrophobicContact CD2-CD1 4.15Å; L28-F223 HydrophobicContact CD2-CE1 3.9Å; L28-F223 HydrophobicContact CD2-CZ 4.27Å; V29-F223 HydrophobicContact CG2-CD1 3.65Å; V29-F223 HydrophobicContact CG2-CE1 3.7Å; L219-F223 VanDerWaalsContact O-CB 3.31Å; L219-F223 WeakPolarHBondContact O-CB 3.49Å; L219-F223 PolarHBondContact O-N 3.47Å; L220-F223 PolarHBondContact O-N 2.85Å; F223-L225 VanDerWaalsContact C-N 3.32Å; F223-L225 PolarHBondContact O-N 3.37Å; F223-V226 PolarHBondContact O-N 2.8Å; F223-N227 WeakPolarHBondContact CD1-ND2 3.43Å; F223-N227 WeakPolarHBondContact CD2-ND2 3.36Å; F223-N227 VanDerWaalsContact CE1-ND2 3.31Å; F223-N227 WeakPolarHBondContact CE1-ND2 3.31Å; F223-N227 WeakPolarHBondContact CE2-ND2 3.33Å; F223-N227 WeakPolarHBondContact CG-ND2 3.48Å; F223-N227 WeakPolarHBondContact CZ-ND2 3.49Å; F223-N227 WeakPolarHBondContact O-CB 3.24Å; F223-N227 VanDerWaalsContact O-CG 3.3Å; F223-N227 PolarHBondContact O-N 3.02Å; F223-N227 PolarHBondContact O-ND2 3.29Å |
| 224 | V | 77.8 | Confident | 81 | Confident | 65 Ų | 65 | 72.7 Ų | 72.7 | 39% | 0.394 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 174.1 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | L220 L228 | L220-V224 WeakPolarHBondContact O-CB 3.36Å; L220-V224 VanDerWaalsContact O-CG2 3.26Å; L220-V224 WeakPolarHBondContact O-CG2 3.48Å; L220-V224 PolarHBondContact O-N 3.31Å; V224-L228 HydrophobicContact CG1-CD1 3.68Å; V224-L228 HydrophobicContact CG1-CG 4.29Å; V224-L228 VanDerWaalsContact O-CB 3.28Å; V224-L228 WeakPolarHBondContact O-CB 3.43Å; V224-L228 VanDerWaalsContact O-CG 3.24Å; V224-L228 WeakPolarHBondContact O-CG 3.41Å; V224-L228 PolarHBondContact O-N 3Å |
| 225 | L | 80.3 | Confident | 80.6 | Confident | 115 Ų | 115 | 73.3 Ų | 73.3 | 60% | 0.602 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.3 | -49.6 | 177.4 | -169.7 | 79.2 | 0 | 0 | 0 | 111.7 | A221 S222 F223 N227 L228 T229 | A221-L225 VanDerWaalsContact O-CB 3.31Å; A221-L225 WeakPolarHBondContact O-CB 3.31Å; A221-L225 PolarHBondContact O-N 2.85Å; S222-L225 PolarHBondContact O-N 3.35Å; F223-L225 VanDerWaalsContact C-N 3.32Å; F223-L225 PolarHBondContact O-N 3.37Å; L225-N227 PolarHBondContact O-N 2.79Å; L225-L228 PolarHBondContact O-N 3.37Å; L225-T229 WeakPolarHBondContact O-CB 3.31Å; L225-T229 VanDerWaalsContact O-CG2 3.28Å; L225-T229 WeakPolarHBondContact O-CG2 3.42Å; L225-T229 PolarHBondContact O-N 2.89Å; L225-T229 PolarHBondContact O-OG1 2.93Å; L225-T229 VanDerWaalsContact O-OG1 3.06Å |
| 226 | V | 84.4 | Confident | 80.2 | Confident | 92 Ų | 92 | 74.7 Ų | 74.7 | 56% | 0.558 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.1 | -46.5 | 179.3 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | S222 F223 L228 T229 G230 | S222-V226 VanDerWaalsContact O-CG2 3.3Å; S222-V226 WeakPolarHBondContact O-CG2 3.34Å; S222-V226 PolarHBondContact O-N 2.95Å; F223-V226 PolarHBondContact O-N 2.8Å; V226-L228 PolarHBondContact O-N 3.36Å; V226-T229 WeakPolarHBondContact CA-OG1 3.3Å; V226-T229 PolarHBondContact O-N 2.97Å; V226-T229 PolarHBondContact O-OG1 3.37Å; V226-G230 PolarHBondContact O-N 3.02Å |
| 227 | N | 78.7 | Confident | 80.3 | Confident | 45 Ų | 45 | 77.9 Ų | 77.9 | 24% | 0.241 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 179.3 | -70.6 | -44.6 | 0 | 0 | 0 | 112.8 | N25 F223 L225 G230 L231 | N25-N227 VanDerWaalsContact CG-ND2 3.32Å; N25-N227 PolarHBondContact ND2-ND2 3.37Å; N25-N227 PolarHBondContact OD1-ND2 3.12Å; F223-N227 WeakPolarHBondContact CD1-ND2 3.43Å; F223-N227 WeakPolarHBondContact CD2-ND2 3.36Å; F223-N227 VanDerWaalsContact CE1-ND2 3.31Å; F223-N227 WeakPolarHBondContact CE1-ND2 3.31Å; F223-N227 WeakPolarHBondContact CE2-ND2 3.33Å; F223-N227 WeakPolarHBondContact CG-ND2 3.48Å; F223-N227 WeakPolarHBondContact CZ-ND2 3.49Å; F223-N227 WeakPolarHBondContact O-CB 3.24Å; F223-N227 VanDerWaalsContact O-CG 3.3Å; F223-N227 PolarHBondContact O-N 3.02Å; F223-N227 PolarHBondContact O-ND2 3.29Å; L225-N227 PolarHBondContact O-N 2.79Å; N227-G230 PolarHBondContact O-N 2.92Å; N227-L231 WeakPolarHBondContact O-CB 3.45Å; N227-L231 PolarHBondContact O-N 3.27Å |
| 228 | L | 76.4 | Confident | 80.2 | Confident | 100 Ų | 100 | 80.2 Ų | 80.2 | 52% | 0.524 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 174.2 | -77.9 | 170.3 | 0 | 0 | 0 | 111.6 | V224 L225 V226 L231 V232 | V224-L228 HydrophobicContact CG1-CD1 3.68Å; V224-L228 HydrophobicContact CG1-CG 4.29Å; V224-L228 VanDerWaalsContact O-CB 3.28Å; V224-L228 WeakPolarHBondContact O-CB 3.43Å; V224-L228 VanDerWaalsContact O-CG 3.24Å; V224-L228 WeakPolarHBondContact O-CG 3.41Å; V224-L228 PolarHBondContact O-N 3Å; L225-L228 PolarHBondContact O-N 3.37Å; V226-L228 PolarHBondContact O-N 3.36Å; L228-L231 PolarHBondContact O-N 3.26Å; L228-V232 VanDerWaalsContact O-CG2 3.27Å; L228-V232 WeakPolarHBondContact O-CG2 3.47Å; L228-V232 PolarHBondContact O-N 3.43Å |
| 229 | T | 79.1 | Confident | 79.7 | Confident | 82 Ų | 82 | 74.7 Ų | 74.7 | 50% | 0.503 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 177.5 | 57 | 0 | 0 | 0 | 0 | 112 | L225 V226 V232 L233 | L225-T229 WeakPolarHBondContact O-CB 3.31Å; L225-T229 VanDerWaalsContact O-CG2 3.28Å; L225-T229 WeakPolarHBondContact O-CG2 3.42Å; L225-T229 PolarHBondContact O-N 2.89Å; L225-T229 PolarHBondContact O-OG1 2.93Å; L225-T229 VanDerWaalsContact O-OG1 3.06Å; V226-T229 WeakPolarHBondContact CA-OG1 3.3Å; V226-T229 PolarHBondContact O-N 2.97Å; V226-T229 PolarHBondContact O-OG1 3.37Å; T229-V232 PolarHBondContact O-N 3.3Å; T229-L233 WeakPolarHBondContact O-CB 3.42Å; T229-L233 PolarHBondContact O-N 3.03Å |
| 230 | G | 83.4 | Confident | 79.7 | Confident | 39 Ų | 39 | 73.8 Ų | 73.8 | 40% | 0.402 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V226 N227 L233 L234 | V226-G230 PolarHBondContact O-N 3.02Å; N227-G230 PolarHBondContact O-N 2.92Å; G230-L233 PolarHBondContact O-N 2.98Å; G230-L234 WeakPolarHBondContact O-CB 3.31Å; G230-L234 PolarHBondContact O-N 2.84Å |
| 231 | L | 75.1 | Confident | 79.7 | Confident | 98 Ų | 98 | 76.4 Ų | 76.4 | 51% | 0.513 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 175.8 | -173.4 | 71.5 | 0 | 0 | 0 | 111.8 | N227 L228 L234 A235 | N227-L231 WeakPolarHBondContact O-CB 3.45Å; N227-L231 PolarHBondContact O-N 3.27Å; L228-L231 PolarHBondContact O-N 3.26Å; L231-L234 PolarHBondContact O-N 3.35Å; L231-A235 WeakPolarHBondContact O-CB 3.45Å; L231-A235 PolarHBondContact O-N 3.26Å |
| 232 | V | 77.6 | Confident | 79.6 | Confident | 89 Ų | 89 | 76.4 Ų | 76.4 | 54% | 0.539 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 176.3 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | L228 T229 A235 C236 | L228-V232 VanDerWaalsContact O-CG2 3.27Å; L228-V232 WeakPolarHBondContact O-CG2 3.47Å; L228-V232 PolarHBondContact O-N 3.43Å; T229-V232 PolarHBondContact O-N 3.3Å; V232-A235 PolarHBondContact O-N 2.73Å; V232-C236 WeakPolarHBondContact O-CB 3.31Å; V232-C236 PolarHBondContact O-N 2.9Å; V232-C236 PolarHBondContact O-SG 2.93Å |
| 233 | L | 81.5 | Confident | 79.2 | Confident | 121 Ų | 121 | 76.8 Ų | 76.8 | 63% | 0.634 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.2 | -45.3 | 178.4 | -170.5 | 76.2 | 0 | 0 | 0 | 111.3 | T229 G230 A235 C236 V237 | T229-L233 WeakPolarHBondContact O-CB 3.42Å; T229-L233 PolarHBondContact O-N 3.03Å; G230-L233 PolarHBondContact O-N 2.98Å; L233-A235 PolarHBondContact O-N 3.37Å; L233-C236 WeakPolarHBondContact O-CB 3.42Å; L233-C236 PolarHBondContact O-N 3.42Å; L233-V237 WeakPolarHBondContact O-CG2 3.45Å; L233-V237 PolarHBondContact O-N 3.47Å |
| 234 | L | 81.4 | Confident | 79.2 | Confident | 65 Ų | 65 | 79.6 Ų | 79.6 | 34% | 0.34 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 176.7 | -176.6 | 68.1 | 0 | 0 | 0 | 111.2 | L18 G230 L231 C236 V237 L238 | L18-L234 HydrophobicContact CD1-CD2 3.94Å; L18-L234 HydrophobicContact CD2-CD2 3.87Å; G230-L234 WeakPolarHBondContact O-CB 3.31Å; G230-L234 PolarHBondContact O-N 2.84Å; L231-L234 PolarHBondContact O-N 3.35Å; L234-C236 VanDerWaalsContact C-N 3.33Å; L234-C236 PolarHBondContact O-N 3.45Å; L234-V237 PolarHBondContact O-N 2.94Å; L234-L238 HydrophobicContact CD1-CD1 4.49Å; L234-L238 HydrophobicContact CG-CD1 4.07Å; L234-L238 WeakPolarHBondContact O-CB 3.31Å; L234-L238 WeakPolarHBondContact O-CG 3.43Å; L234-L238 PolarHBondContact O-N 2.91Å |
| 235 | A | 75.1 | Confident | 79.2 | Confident | 57 Ų | 57 | 82.7 Ų | 82.7 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | L231 V232 L233 A239 | L231-A235 WeakPolarHBondContact O-CB 3.45Å; L231-A235 PolarHBondContact O-N 3.26Å; V232-A235 PolarHBondContact O-N 2.73Å; L233-A235 PolarHBondContact O-N 3.37Å; A235-A239 VanDerWaalsContact O-CB 3.26Å; A235-A239 WeakPolarHBondContact O-CB 3.46Å; A235-A239 PolarHBondContact O-N 2.91Å |
| 236 | C | 79.4 | Confident | 79 | Confident | 70 Ų | 70 | 82 Ų | 82 | 47% | 0.473 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 174.6 | -72.9 | 0 | 0 | 0 | 0 | 112.1 | V232 L233 L234 A239 V240 | V232-C236 WeakPolarHBondContact O-CB 3.31Å; V232-C236 PolarHBondContact O-N 2.9Å; V232-C236 PolarHBondContact O-SG 2.93Å; L233-C236 WeakPolarHBondContact O-CB 3.42Å; L233-C236 PolarHBondContact O-N 3.42Å; L234-C236 VanDerWaalsContact C-N 3.33Å; L234-C236 PolarHBondContact O-N 3.45Å; C236-A239 PolarHBondContact O-N 3.34Å; C236-V240 VanDerWaalsContact O-CG2 3.3Å; C236-V240 WeakPolarHBondContact O-CG2 3.38Å; C236-V240 PolarHBondContact O-N 2.89Å |
| 237 | V | 82.9 | Confident | 78.7 | Confident | 78 Ų | 78 | 81.4 Ų | 81.4 | 47% | 0.473 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 177.5 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | L233 L234 A239 V240 T241 | L233-V237 WeakPolarHBondContact O-CG2 3.45Å; L233-V237 PolarHBondContact O-N 3.47Å; L234-V237 PolarHBondContact O-N 2.94Å; V237-A239 VanDerWaalsContact C-N 3.34Å; V237-A239 PolarHBondContact O-N 3.45Å; V237-V240 PolarHBondContact O-N 3.21Å; V237-T241 HydrophobicContact CG1-CG2 4.3Å; V237-T241 WeakPolarHBondContact O-CG2 3.39Å; V237-T241 PolarHBondContact O-N 2.92Å; V237-T241 PolarHBondContact O-OG1 3.39Å |
| 238 | L | 78.6 | Confident | 78.6 | Confident | 96 Ų | 96 | 84.7 Ų | 84.7 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 175.5 | -73.8 | 170.1 | 0 | 0 | 0 | 112.1 | L234 T241 V242 | L234-L238 HydrophobicContact CD1-CD1 4.49Å; L234-L238 HydrophobicContact CG-CD1 4.07Å; L234-L238 WeakPolarHBondContact O-CB 3.31Å; L234-L238 WeakPolarHBondContact O-CG 3.43Å; L234-L238 PolarHBondContact O-N 2.91Å; L238-T241 WeakPolarHBondContact CA-OG1 3.27Å; L238-T241 PolarHBondContact O-N 3.45Å; L238-T241 PolarHBondContact O-OG1 3.41Å; L238-V242 WeakPolarHBondContact O-CB 3.27Å; L238-V242 WeakPolarHBondContact O-CG2 3.36Å; L238-V242 PolarHBondContact O-N 3.35Å |
| 239 | A | 76.1 | Confident | 78.6 | Confident | 55 Ų | 55 | 84.5 Ų | 84.5 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | A235 C236 V237 V242 T243 | A235-A239 VanDerWaalsContact O-CB 3.26Å; A235-A239 WeakPolarHBondContact O-CB 3.46Å; A235-A239 PolarHBondContact O-N 2.91Å; C236-A239 PolarHBondContact O-N 3.34Å; V237-A239 VanDerWaalsContact C-N 3.34Å; V237-A239 PolarHBondContact O-N 3.45Å; A239-V242 PolarHBondContact O-N 2.7Å; A239-T243 VanDerWaalsContact O-CG2 3.24Å; A239-T243 WeakPolarHBondContact O-CG2 3.28Å; A239-T243 PolarHBondContact O-N 3.45Å; A239-T243 PolarHBondContact O-OG1 2.99Å |
| 240 | V | 82.1 | Confident | 78.4 | Confident | 88 Ų | 88 | 82.2 Ų | 82.2 | 53% | 0.533 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 177.6 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | C236 V237 V242 T243 V244 | C236-V240 VanDerWaalsContact O-CG2 3.3Å; C236-V240 WeakPolarHBondContact O-CG2 3.38Å; C236-V240 PolarHBondContact O-N 2.89Å; V237-V240 PolarHBondContact O-N 3.21Å; V240-V242 VanDerWaalsContact C-N 3.34Å; V240-V242 PolarHBondContact O-N 3.45Å; V240-T243 WeakPolarHBondContact CA-OG1 3.49Å; V240-T243 PolarHBondContact O-N 3.02Å; V240-T243 PolarHBondContact O-OG1 3.19Å; V240-V244 HydrophobicContact CG1-CG2 4.4Å; V240-V244 WeakPolarHBondContact O-CG2 3.49Å; V240-V244 PolarHBondContact O-N 3.25Å |
| 241 | T | 79.4 | Confident | 78 | Confident | 73 Ų | 73 | 85.8 Ų | 85.8 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 179.4 | 55.9 | 0 | 0 | 0 | 0 | 111.8 | V237 L238 V244 L245 | V237-T241 HydrophobicContact CG1-CG2 4.3Å; V237-T241 WeakPolarHBondContact O-CG2 3.39Å; V237-T241 PolarHBondContact O-N 2.92Å; V237-T241 PolarHBondContact O-OG1 3.39Å; L238-T241 WeakPolarHBondContact CA-OG1 3.27Å; L238-T241 PolarHBondContact O-N 3.45Å; L238-T241 PolarHBondContact O-OG1 3.41Å; T241-V244 PolarHBondContact O-N 3.2Å; T241-L245 WeakPolarHBondContact O-CB 3.44Å; T241-L245 PolarHBondContact O-N 3.09Å |
| 242 | V | 77.6 | Confident | 78.1 | Confident | 62 Ų | 62 | 89.1 Ų | 89.1 | 38% | 0.376 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.4 | -38.4 | 175.5 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | L238 A239 V240 H246 T250 | L238-V242 WeakPolarHBondContact O-CB 3.27Å; L238-V242 WeakPolarHBondContact O-CG2 3.36Å; L238-V242 PolarHBondContact O-N 3.35Å; A239-V242 PolarHBondContact O-N 2.7Å; V240-V242 VanDerWaalsContact C-N 3.34Å; V240-V242 PolarHBondContact O-N 3.45Å; V242-H246 CarbonylContact O-C 3.59Å; V242-H246 WeakPolarHBondContact O-CA 3.48Å; V242-H246 PolarHBondContact O-N 2.92Å; V242-T250 HydrophobicContact CG1-CG2 3.72Å |
| 243 | T | 75.8 | Confident | 78 | Confident | 66 Ų | 66 | 89.4 Ų | 89.4 | 41% | 0.405 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 174.9 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | A239 V240 T250 | A239-T243 VanDerWaalsContact O-CG2 3.24Å; A239-T243 WeakPolarHBondContact O-CG2 3.28Å; A239-T243 PolarHBondContact O-N 3.45Å; A239-T243 PolarHBondContact O-OG1 2.99Å; V240-T243 WeakPolarHBondContact CA-OG1 3.49Å; V240-T243 PolarHBondContact O-N 3.02Å; V240-T243 PolarHBondContact O-OG1 3.19Å; T243-T250 HydrophobicContact CG2-CG2 3.68Å |
| 244 | V | 80.4 | Confident | 77.6 | Confident | 116 Ų | 116 | 86.3 Ų | 86.3 | 70% | 0.703 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -74.3 | -39.9 | 179.1 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | V240 T241 | V240-V244 HydrophobicContact CG1-CG2 4.4Å; V240-V244 WeakPolarHBondContact O-CG2 3.49Å; V240-V244 PolarHBondContact O-N 3.25Å; T241-V244 PolarHBondContact O-N 3.2Å |
| 245 | L | 78.3 | Confident | 77.3 | Confident | 130 Ų | 130 | 87 Ų | 87 | 68% | 0.681 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -82.5 | -30.9 | -175.6 | -153.8 | 71 | 0 | 0 | 0 | 112.9 | T241 | T241-L245 WeakPolarHBondContact O-CB 3.44Å; T241-L245 PolarHBondContact O-N 3.09Å |
| 246 | H | 76.6 | Confident | 77.5 | Confident | 99 Ų | 99 | 89.7 Ų | 89.7 | 46% | 0.458 | 50% | 0.503 | S | S | . | . | trans | -139 | 72.8 | -176.5 | -67.2 | -58.3 | 0 | 0 | 0 | 112.5 | V242 D248 L249 T250 | V242-H246 CarbonylContact O-C 3.59Å; V242-H246 WeakPolarHBondContact O-CA 3.48Å; V242-H246 PolarHBondContact O-N 2.92Å; H246-D248 VanDerWaalsContact C-N 3.34Å; H246-D248 PolarHBondContact O-N 3.37Å; H246-L249 HydrophobicContact CB-CB 3.89Å; H246-L249 PolarHBondContact O-N 3.25Å; H246-T250 PolarHBondContact O-N 2.89Å; H246-T250 VanDerWaalsContact O-N 3.17Å; H246-T250 PolarHBondContact O-OG1 3.48Å | ||
| 247 | P | 77.8 | Confident | 77.2 | Confident | 80 Ų | 80 | 88.5 Ų | 88.5 | 52% | 0.519 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -37.2 | -177.8 | 24.5 | -34.2 | 0 | 0 | 0 | 113.1 | L249 T250 L251 | P247-L249 VanDerWaalsContact C-N 3.31Å; P247-L249 PolarHBondContact O-N 3.02Å; P247-T250 PolarHBondContact O-N 3.26Å; P247-T250 PolarHBondContact O-OG1 2.82Å; P247-L251 WeakPolarHBondContact O-CB 3.36Å; P247-L251 PolarHBondContact O-N 2.97Å; P247-L251 VanDerWaalsContact O-N 3.07Å |
| 248 | D | 77.1 | Confident | 76.8 | Confident | 115 Ų | 115 | 90.1 Ų | 90.1 | 62% | 0.615 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.7 | -32.2 | 178.6 | -75.5 | -33 | 0 | 0 | 0 | 113.2 | H246 R252 | H246-D248 VanDerWaalsContact C-N 3.34Å; H246-D248 PolarHBondContact O-N 3.37Å; D248-R252 VanDerWaalsContact O-CG 3.28Å; D248-R252 WeakPolarHBondContact O-CG 3.49Å; D248-R252 PolarHBondContact O-N 3.5Å |
| 249 | L | 75.9 | Confident | 76.4 | Confident | 96 Ų | 96 | 88.9 Ų | 88.9 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -78.8 | -38.5 | -177.4 | -138 | 156.5 | 0 | 0 | 0 | 110.2 | H246 P247 R252 L253 | H246-L249 HydrophobicContact CB-CB 3.89Å; H246-L249 PolarHBondContact O-N 3.25Å; P247-L249 VanDerWaalsContact C-N 3.31Å; P247-L249 PolarHBondContact O-N 3.02Å; L249-R252 PolarHBondContact O-N 2.87Å; L249-L253 HydrophobicContact CD2-CD1 3.9Å; L249-L253 HydrophobicContact CD2-CG 4.38Å; L249-L253 WeakPolarHBondContact O-CG 3.4Å; L249-L253 PolarHBondContact O-N 3.03Å |
| 250 | T | 73.4 | Confident | 76.2 | Confident | 33 Ų | 33 | 92.8 Ų | 92.8 | 20% | 0.202 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -69.5 | -36.5 | 175.2 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | V242 T243 H246 P247 R252 L253 A254 | V242-T250 HydrophobicContact CG1-CG2 3.72Å; T243-T250 HydrophobicContact CG2-CG2 3.68Å; H246-T250 PolarHBondContact O-N 2.89Å; H246-T250 VanDerWaalsContact O-N 3.17Å; H246-T250 PolarHBondContact O-OG1 3.48Å; P247-T250 PolarHBondContact O-N 3.26Å; P247-T250 PolarHBondContact O-OG1 2.82Å; T250-R252 PolarHBondContact O-N 3.38Å; T250-L253 PolarHBondContact O-N 3.06Å; T250-A254 VanDerWaalsContact O-CB 3.23Å; T250-A254 WeakPolarHBondContact O-CB 3.17Å; T250-A254 PolarHBondContact O-N 3.39Å |
| 251 | L | 76.1 | Confident | 75.4 | Confident | 115 Ų | 115 | 92.7 Ų | 92.7 | 60% | 0.602 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.8 | -39 | 174.3 | -170.2 | 66.8 | 0 | 0 | 0 | 112.1 | P247 T255 | P247-L251 WeakPolarHBondContact O-CB 3.36Å; P247-L251 PolarHBondContact O-N 2.97Å; P247-L251 VanDerWaalsContact O-N 3.07Å; L251-T255 WeakPolarHBondContact O-CB 3.26Å; L251-T255 VanDerWaalsContact O-CG2 3.27Å; L251-T255 WeakPolarHBondContact O-CG2 3.19Å; L251-T255 PolarHBondContact O-N 2.92Å; L251-T255 PolarHBondContact O-OG1 2.9Å |
| 252 | R | 77.4 | Confident | 74.8 | Confident | 168 Ų | 168 | 95.1 Ų | 95.1 | 63% | 0.634 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.4 | -43.3 | 175.2 | -71.1 | 176.2 | -158.8 | -165.7 | 5.8 | 112.5 | D248 L249 T250 T255 Q256 | D248-R252 VanDerWaalsContact O-CG 3.28Å; D248-R252 WeakPolarHBondContact O-CG 3.49Å; D248-R252 PolarHBondContact O-N 3.5Å; L249-R252 PolarHBondContact O-N 2.87Å; T250-R252 PolarHBondContact O-N 3.38Å; R252-T255 WeakPolarHBondContact CA-OG1 3.31Å; R252-T255 PolarHBondContact O-OG1 2.86Å; R252-Q256 WeakPolarHBondContact O-CB 3.41Å; R252-Q256 WeakPolarHBondContact O-CG 3.45Å; R252-Q256 PolarHBondContact O-N 2.93Å |
| 253 | L | 75.3 | Confident | 74.3 | Confident | 95 Ų | 95 | 96 Ų | 96 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.6 | -40.1 | 175.9 | -73.9 | 170.4 | 0 | 0 | 0 | 112.1 | L249 T250 Q256 A257 | L249-L253 HydrophobicContact CD2-CD1 3.9Å; L249-L253 HydrophobicContact CD2-CG 4.38Å; L249-L253 WeakPolarHBondContact O-CG 3.4Å; L249-L253 PolarHBondContact O-N 3.03Å; T250-L253 PolarHBondContact O-N 3.06Å; L253-Q256 PolarHBondContact O-N 2.86Å; L253-A257 VanDerWaalsContact O-CB 3.29Å; L253-A257 WeakPolarHBondContact O-CB 3.4Å; L253-A257 PolarHBondContact O-N 3.35Å |
| 254 | A | 73.4 | Confident | 73.7 | Confident | 56 Ų | 56 | 100.6 Ų | 100.6 | 46% | 0.463 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T250 A257 L258 | T250-A254 VanDerWaalsContact O-CB 3.23Å; T250-A254 WeakPolarHBondContact O-CB 3.17Å; T250-A254 PolarHBondContact O-N 3.39Å; A254-A257 PolarHBondContact O-N 3Å; A254-L258 WeakPolarHBondContact O-CB 3.37Å; A254-L258 PolarHBondContact O-N 2.85Å |
| 255 | T | 75.8 | Confident | 72.9 | Confident | 80 Ų | 80 | 99.2 Ų | 99.2 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.3 | -36.9 | 177.2 | 49.1 | 0 | 0 | 0 | 0 | 112.6 | L251 R252 S259 | L251-T255 WeakPolarHBondContact O-CB 3.26Å; L251-T255 VanDerWaalsContact O-CG2 3.27Å; L251-T255 WeakPolarHBondContact O-CG2 3.19Å; L251-T255 PolarHBondContact O-N 2.92Å; L251-T255 PolarHBondContact O-OG1 2.9Å; R252-T255 WeakPolarHBondContact CA-OG1 3.31Å; R252-T255 PolarHBondContact O-OG1 2.86Å; T255-S259 WeakPolarHBondContact O-CB 2.78Å; T255-S259 PolarHBondContact O-N 3.48Å; T255-S259 PolarHBondContact O-OG 3.45Å |
| 256 | Q | 78.4 | Confident | 72.2 | Confident | 112 Ų | 112 | 96.5 Ų | 96.5 | 52% | 0.523 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.6 | -44 | 171.9 | -75.6 | 176.8 | -24.5 | 0 | 0 | 112.9 | R252 L253 S259 Q260 | R252-Q256 WeakPolarHBondContact O-CB 3.41Å; R252-Q256 WeakPolarHBondContact O-CG 3.45Å; R252-Q256 PolarHBondContact O-N 2.93Å; L253-Q256 PolarHBondContact O-N 2.86Å; Q256-S259 WeakPolarHBondContact CA-OG 3.35Å; Q256-S259 PolarHBondContact O-N 3.31Å; Q256-S259 PolarHBondContact O-OG 2.86Å; Q256-Q260 WeakPolarHBondContact O-CB 3.49Å; Q256-Q260 VanDerWaalsContact O-CG 3.29Å; Q256-Q260 WeakPolarHBondContact O-CG 3.38Å; Q256-Q260 PolarHBondContact O-N 2.91Å |
| 257 | A | 72.8 | Confident | 71.6 | Confident | 46 Ų | 46 | 97 Ų | 97 | 38% | 0.38 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L253 A254 Q260 L261 | L253-A257 VanDerWaalsContact O-CB 3.29Å; L253-A257 WeakPolarHBondContact O-CB 3.4Å; L253-A257 PolarHBondContact O-N 3.35Å; A254-A257 PolarHBondContact O-N 3Å; A257-Q260 PolarHBondContact O-N 2.87Å; A257-L261 WeakPolarHBondContact O-CB 3.32Å; A257-L261 WeakPolarHBondContact O-CG 3.32Å; A257-L261 PolarHBondContact O-N 3.46Å |
| 258 | L | 74.2 | Confident | 71.1 | Confident | 112 Ų | 112 | 98.1 Ų | 98.1 | 59% | 0.586 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.5 | -38 | 178.6 | -157.9 | 81.1 | 0 | 0 | 0 | 111.8 | A254 H262 | A254-L258 WeakPolarHBondContact O-CB 3.37Å; A254-L258 PolarHBondContact O-N 2.85Å; L258-H262 WeakPolarHBondContact O-CB 3.27Å; L258-H262 PolarHBondContact O-N 3Å |
| 259 | S | 71.6 | Confident | 70.8 | Confident | 69 Ų | 69 | 100.2 Ų | 100.2 | 48% | 0.483 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.5 | -38.6 | 174.6 | 54.8 | 0 | 0 | 0 | 0 | 112.4 | T255 Q256 H262 A263 | T255-S259 WeakPolarHBondContact O-CB 2.78Å; T255-S259 PolarHBondContact O-N 3.48Å; T255-S259 PolarHBondContact O-OG 3.45Å; Q256-S259 WeakPolarHBondContact CA-OG 3.35Å; Q256-S259 PolarHBondContact O-N 3.31Å; Q256-S259 PolarHBondContact O-OG 2.86Å; S259-H262 PolarHBondContact O-N 3.09Å; S259-A263 WeakPolarHBondContact O-CB 3.32Å; S259-A263 PolarHBondContact O-N 3.48Å |
| 260 | Q | 71.9 | Confident | 70.6 | Confident | 137 Ų | 137 | 101.1 Ų | 101.1 | 64% | 0.64 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.5 | -37.1 | 173.4 | -73.9 | 180 | -2.5 | 0 | 0 | 112.8 | Q256 A257 A263 R264 | Q256-Q260 WeakPolarHBondContact O-CB 3.49Å; Q256-Q260 VanDerWaalsContact O-CG 3.29Å; Q256-Q260 WeakPolarHBondContact O-CG 3.38Å; Q256-Q260 PolarHBondContact O-N 2.91Å; A257-Q260 PolarHBondContact O-N 2.87Å; Q260-A263 PolarHBondContact O-N 3.44Å; Q260-R264 PolarHBondContact O-N 3.02Å |
| 261 | L | 64.7 | Low | 70.7 | Confident | 86 Ų | 86 | 106 Ų | 106 | 45% | 0.45 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 173.1 | -81.8 | 163.7 | 0 | 0 | 0 | 111.4 | A257 A263 R264 | A257-L261 WeakPolarHBondContact O-CB 3.32Å; A257-L261 WeakPolarHBondContact O-CG 3.32Å; A257-L261 PolarHBondContact O-N 3.46Å; L261-A263 VanDerWaalsContact C-N 3.3Å; L261-A263 PolarHBondContact O-N 2.92Å; L261-R264 PolarHBondContact O-N 3.15Å |
| 262 | H | 66.4 | Low | 70.8 | Confident | 125 Ų | 125 | 103.9 Ų | 103.9 | 58% | 0.579 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65 | -32.5 | 173.1 | -107.5 | 125 | 0 | 0 | 0 | 113 | L258 S259 R264 | L258-H262 WeakPolarHBondContact O-CB 3.27Å; L258-H262 PolarHBondContact O-N 3Å; S259-H262 PolarHBondContact O-N 3.09Å; H262-R264 VanDerWaalsContact C-N 3.31Å; H262-R264 PolarHBondContact O-N 2.81Å |
| 263 | A | 66.6 | Low | 70.8 | Confident | 79 Ų | 79 | 99.5 Ų | 99.5 | 65% | 0.653 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -76.1 | -13 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S259 Q260 L261 P265 | S259-A263 WeakPolarHBondContact O-CB 3.32Å; S259-A263 PolarHBondContact O-N 3.48Å; Q260-A263 PolarHBondContact O-N 3.44Å; L261-A263 VanDerWaalsContact C-N 3.3Å; L261-A263 PolarHBondContact O-N 2.92Å; A263-P265 WeakPolarHBondContact O-CD 3.39Å |
| 264 | R | 63 | Low | 70.8 | Confident | 163 Ų | 163 | 99.1 Ų | 99.1 | 62% | 0.615 | 52% | 0.515 | S | S | * | . | trans | -79.4 | 120.7 | 179.1 | -81.8 | -171.5 | 177.8 | -178.3 | 1 | 111.6 | Q260 L261 H262 S266 Y267 | Q260-R264 PolarHBondContact O-N 3.02Å; L261-R264 PolarHBondContact O-N 3.15Å; H262-R264 VanDerWaalsContact C-N 3.31Å; H262-R264 PolarHBondContact O-N 2.81Å; R264-S266 PolarHBondContact O-N 3.3Å; R264-S266 VanDerWaalsContact O-N 3.1Å; R264-Y267 PolarHBondContact O-N 3.2Å | ||
| 265 | P | 63.9 | Low | 70.9 | Confident | 87 Ų | 87 | 100.5 Ų | 100.5 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.1 | -12.2 | -179.3 | 27.5 | -34.9 | 0 | 0 | 0 | 113.9 | A263 R269 | A263-P265 WeakPolarHBondContact O-CD 3.39Å; P265-R269 PolarHBondContact O-NE 3.22Å |
| 266 | S | 64.8 | Low | 71 | Confident | 73 Ų | 73 | 103.1 Ų | 103.1 | 51% | 0.51 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -76.3 | -32.1 | 172.3 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | R264 L270 | R264-S266 PolarHBondContact O-N 3.3Å; R264-S266 VanDerWaalsContact O-N 3.1Å; S266-L270 WeakPolarHBondContact O-CB 3.32Å; S266-L270 PolarHBondContact O-N 3.07Å |
| 267 | Y | 63.2 | Low | 70.8 | Confident | 111 Ų | 111 | 103.3 Ų | 103.3 | 44% | 0.435 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.5 | -41.3 | 179.3 | -178.3 | -102.8 | 0 | 0 | 0 | 111.4 | R264 L270 R271 | R264-Y267 PolarHBondContact O-N 3.2Å; Y267-L270 PolarHBondContact O-N 3.21Å; Y267-R271 VanDerWaalsContact O-CB 3.22Å; Y267-R271 WeakPolarHBondContact O-CB 3.39Å; Y267-R271 PolarHBondContact O-N 3.34Å |
| 268 | H | 68.3 | Low | 70.4 | Confident | 102 Ų | 102 | 103.2 Ų | 103.2 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 176.5 | -155.7 | -81.3 | 0 | 0 | 0 | 111.7 | R271 E272 | H268-R271 PolarHBondContact O-N 2.93Å; H268-E272 IonicContact CE1-OE1 2.93Å; H268-E272 PolarHBondContact CE1-OE1 2.89Å; H268-E272 IonicContact ND1-OE1 2.77Å; H268-E272 PolarHBondContact ND1-OE1 3.44Å; H268-E272 WeakPolarHBondContact O-CB 3.43Å; H268-E272 WeakPolarHBondContact O-CG 3.04Å; H268-E272 PolarHBondContact O-N 2.9Å |
| 269 | R | 70.8 | Confident | 70.4 | Confident | 160 Ų | 160 | 105.6 Ų | 105.6 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.5 | -48.2 | 175 | -84.5 | -172.8 | -89.8 | -148.3 | -1.8 | 112.4 | P265 R271 E272 D273 | P265-R269 PolarHBondContact O-NE 3.22Å; R269-R271 VanDerWaalsContact C-N 3.34Å; R269-R271 PolarHBondContact O-N 3.36Å; R269-E272 PolarHBondContact O-N 3.39Å; R269-D273 WeakPolarHBondContact O-CB 3.36Å; R269-D273 VanDerWaalsContact O-CG 3.26Å; R269-D273 PolarHBondContact O-N 3.4Å |
| 270 | L | 71.4 | Confident | 70.4 | Confident | 114 Ų | 114 | 108 Ų | 108 | 60% | 0.597 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.7 | -39.8 | 179.3 | -154.3 | 87.3 | 0 | 0 | 0 | 112 | S266 Y267 D273 V274 | S266-L270 WeakPolarHBondContact O-CB 3.32Å; S266-L270 PolarHBondContact O-N 3.07Å; Y267-L270 PolarHBondContact O-N 3.21Å; L270-D273 PolarHBondContact O-N 2.9Å; L270-V274 WeakPolarHBondContact O-CB 3.27Å; L270-V274 WeakPolarHBondContact O-CG2 3.28Å; L270-V274 PolarHBondContact O-N 2.99Å |
| 271 | R | 75 | Confident | 70 | Confident | 135 Ų | 135 | 103.4 Ų | 103.4 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 176.1 | -178.7 | 177.9 | 175.4 | -124.9 | 2.2 | 111.5 | Y267 H268 R269 M275 | Y267-R271 VanDerWaalsContact O-CB 3.22Å; Y267-R271 WeakPolarHBondContact O-CB 3.39Å; Y267-R271 PolarHBondContact O-N 3.34Å; H268-R271 PolarHBondContact O-N 2.93Å; R269-R271 VanDerWaalsContact C-N 3.34Å; R269-R271 PolarHBondContact O-N 3.36Å; R271-M275 VanDerWaalsContact O-CB 3.23Å; R271-M275 WeakPolarHBondContact O-CB 3.24Å; R271-M275 WeakPolarHBondContact O-CG 3.35Å; R271-M275 PolarHBondContact O-N 3.41Å |
| 272 | E | 77.1 | Confident | 69.9 | Low | 72 Ų | 72 | 105 Ų | 105 | 34% | 0.336 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 174.4 | -79.1 | -177.4 | -149.6 | 0 | 0 | 112.1 | H268 R269 M275 R276 | H268-E272 IonicContact CE1-OE1 2.93Å; H268-E272 PolarHBondContact CE1-OE1 2.89Å; H268-E272 IonicContact ND1-OE1 2.77Å; H268-E272 PolarHBondContact ND1-OE1 3.44Å; H268-E272 WeakPolarHBondContact O-CB 3.43Å; H268-E272 WeakPolarHBondContact O-CG 3.04Å; H268-E272 PolarHBondContact O-N 2.9Å; R269-E272 PolarHBondContact O-N 3.39Å; E272-M275 CarbonylContact O-C 3.53Å; E272-M275 PolarHBondContact O-N 3.41Å; E272-R276 WeakPolarHBondContact O-CB 3.33Å; E272-R276 VanDerWaalsContact O-CG 3.31Å; E272-R276 WeakPolarHBondContact O-CG 3.34Å; E272-R276 PolarHBondContact O-N 3.01Å; E272-R276 IonicContact OE2-NH2 3.31Å; E272-R276 PolarHBondContact OE2-NH2 2.96Å |
| 273 | D | 77.3 | Confident | 69.7 | Low | 75 Ų | 75 | 101.3 Ų | 101.3 | 40% | 0.401 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.6 | -42.3 | 179.7 | -70.2 | -24.9 | 0 | 0 | 0 | 111.6 | R269 L270 M275 R276 L277 | R269-D273 WeakPolarHBondContact O-CB 3.36Å; R269-D273 VanDerWaalsContact O-CG 3.26Å; R269-D273 PolarHBondContact O-N 3.4Å; L270-D273 PolarHBondContact O-N 2.9Å; D273-M275 VanDerWaalsContact C-N 3.34Å; D273-M275 PolarHBondContact O-N 3.49Å; D273-R276 PolarHBondContact O-N 3.47Å; D273-L277 WeakPolarHBondContact O-CB 3.45Å; D273-L277 VanDerWaalsContact O-CG 3.28Å; D273-L277 WeakPolarHBondContact O-CG 3.17Å; D273-L277 PolarHBondContact O-N 2.89Å |
| 274 | V | 76.3 | Confident | 69.6 | Low | 87 Ų | 87 | 99.7 Ų | 99.7 | 53% | 0.527 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 173.2 | 171 | 0 | 0 | 0 | 0 | 111 | L270 S278 | L270-V274 WeakPolarHBondContact O-CB 3.27Å; L270-V274 WeakPolarHBondContact O-CG2 3.28Å; L270-V274 PolarHBondContact O-N 2.99Å; V274-S278 WeakPolarHBondContact O-CB 3.28Å; V274-S278 PolarHBondContact O-N 2.85Å; V274-S278 PolarHBondContact O-OG 2.97Å; V274-S278 VanDerWaalsContact O-OG 3.06Å |
| 275 | M | 76.3 | Confident | 69.6 | Low | 85 Ų | 85 | 98.7 Ų | 98.7 | 42% | 0.419 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.7 | -28.2 | 175.2 | -87.1 | -93.2 | -81.1 | 0 | 0 | 113.6 | R271 E272 D273 S278 R279 | R271-M275 VanDerWaalsContact O-CB 3.23Å; R271-M275 WeakPolarHBondContact O-CB 3.24Å; R271-M275 WeakPolarHBondContact O-CG 3.35Å; R271-M275 PolarHBondContact O-N 3.41Å; E272-M275 CarbonylContact O-C 3.53Å; E272-M275 PolarHBondContact O-N 3.41Å; D273-M275 VanDerWaalsContact C-N 3.34Å; D273-M275 PolarHBondContact O-N 3.49Å; M275-S278 WeakPolarHBondContact CA-OG 3.45Å; M275-S278 PolarHBondContact O-OG 3.44Å; M275-R279 WeakPolarHBondContact O-CB 3.24Å; M275-R279 WeakPolarHBondContact O-CG 3.46Å; M275-R279 PolarHBondContact O-N 2.91Å; M275-R279 PolarHBondContact O-NE 3.33Å |
| 276 | R | 77.8 | Confident | 69.5 | Low | 136 Ų | 136 | 97.2 Ų | 97.2 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -74.6 | -47.5 | 172.1 | -77.2 | 177.9 | -143.7 | -169.1 | 6.8 | 110.2 | E272 D273 R279 L280 | E272-R276 WeakPolarHBondContact O-CB 3.33Å; E272-R276 VanDerWaalsContact O-CG 3.31Å; E272-R276 WeakPolarHBondContact O-CG 3.34Å; E272-R276 PolarHBondContact O-N 3.01Å; E272-R276 IonicContact OE2-NH2 3.31Å; E272-R276 PolarHBondContact OE2-NH2 2.96Å; D273-R276 PolarHBondContact O-N 3.47Å; R276-R279 PolarHBondContact O-N 2.76Å; R276-L280 WeakPolarHBondContact O-CB 3.34Å; R276-L280 VanDerWaalsContact O-CG 3.25Å; R276-L280 WeakPolarHBondContact O-CG 3.21Å; R276-L280 PolarHBondContact O-N 3.33Å |
| 277 | L | 72.9 | Confident | 69.2 | Low | 115 Ų | 115 | 100.2 Ų | 100.2 | 60% | 0.602 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65 | -39.2 | 178.3 | -72.1 | 170.6 | 0 | 0 | 0 | 112.1 | D273 L280 A281 | D273-L277 WeakPolarHBondContact O-CB 3.45Å; D273-L277 VanDerWaalsContact O-CG 3.28Å; D273-L277 WeakPolarHBondContact O-CG 3.17Å; D273-L277 PolarHBondContact O-N 2.89Å; L277-L280 PolarHBondContact O-N 3.41Å; L277-A281 VanDerWaalsContact O-CB 3.29Å; L277-A281 WeakPolarHBondContact O-CB 3.38Å; L277-A281 PolarHBondContact O-N 3.49Å |
| 278 | S | 66 | Low | 69.2 | Low | 44 Ų | 44 | 102 Ų | 102 | 31% | 0.308 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.5 | -38.6 | 175.4 | 69.6 | 0 | 0 | 0 | 0 | 111.9 | V274 M275 A281 L282 | V274-S278 WeakPolarHBondContact O-CB 3.28Å; V274-S278 PolarHBondContact O-N 2.85Å; V274-S278 PolarHBondContact O-OG 2.97Å; V274-S278 VanDerWaalsContact O-OG 3.06Å; M275-S278 WeakPolarHBondContact CA-OG 3.45Å; M275-S278 PolarHBondContact O-OG 3.44Å; S278-A281 PolarHBondContact O-N 3.13Å; S278-L282 WeakPolarHBondContact O-CB 3.29Å; S278-L282 WeakPolarHBondContact O-CD1 3.44Å; S278-L282 PolarHBondContact O-N 2.86Å |
| 279 | R | 73.8 | Confident | 69.2 | Low | 162 Ų | 162 | 104.2 Ų | 104.2 | 61% | 0.611 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.8 | -35.8 | 172.5 | -86.1 | -176.9 | -80.8 | -166.2 | -3.2 | 113 | M275 R276 G283 | M275-R279 WeakPolarHBondContact O-CB 3.24Å; M275-R279 WeakPolarHBondContact O-CG 3.46Å; M275-R279 PolarHBondContact O-N 2.91Å; M275-R279 PolarHBondContact O-NE 3.33Å; R276-R279 PolarHBondContact O-N 2.76Å; R279-G283 WeakPolarHBondContact O-CA 3.47Å; R279-G283 PolarHBondContact O-N 3.07Å |
| 280 | L | 72 | Confident | 69.2 | Low | 120 Ų | 120 | 100.6 Ų | 100.6 | 63% | 0.628 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.5 | -40.7 | 173.8 | -72.6 | 166.3 | 0 | 0 | 0 | 111.4 | R276 L277 G283 S284 | R276-L280 WeakPolarHBondContact O-CB 3.34Å; R276-L280 VanDerWaalsContact O-CG 3.25Å; R276-L280 WeakPolarHBondContact O-CG 3.21Å; R276-L280 PolarHBondContact O-N 3.33Å; L277-L280 PolarHBondContact O-N 3.41Å; L280-G283 PolarHBondContact O-N 2.78Å; L280-S284 PolarHBondContact O-N 3.42Å |
| 281 | A | 62.6 | Low | 68.9 | Low | 41 Ų | 41 | 102.5 Ų | 102.5 | 34% | 0.339 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.6 | -45.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L277 S278 W287 | L277-A281 VanDerWaalsContact O-CB 3.29Å; L277-A281 WeakPolarHBondContact O-CB 3.38Å; L277-A281 PolarHBondContact O-N 3.49Å; S278-A281 PolarHBondContact O-N 3.13Å; A281-W287 WeakPolarHBondContact O-CB 3.39Å; A281-W287 VanDerWaalsContact O-CD1 3.23Å |
| 282 | L | 63 | Low | 68.5 | Low | 120 Ų | 120 | 98.7 Ų | 98.7 | 63% | 0.628 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -74.6 | -21.2 | 175.2 | -90.1 | 104 | 0 | 0 | 0 | 114 | S278 R288 | S278-L282 WeakPolarHBondContact O-CB 3.29Å; S278-L282 WeakPolarHBondContact O-CD1 3.44Å; S278-L282 PolarHBondContact O-N 2.86Å; L282-R288 PolarHBondContact O-NH1 3.22Å; L282-R288 PolarHBondContact O-NH2 3.32Å |
| 283 | G | 62.8 | Low | 67.8 | Low | 47 Ų | 47 | 103.2 Ų | 103.2 | 49% | 0.485 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -83.4 | -25.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R279 L280 E285 | R279-G283 WeakPolarHBondContact O-CA 3.47Å; R279-G283 PolarHBondContact O-N 3.07Å; L280-G283 PolarHBondContact O-N 2.78Å; G283-E285 PolarHBondContact O-N 3.43Å |
| 284 | S | 63.1 | Low | 66.8 | Low | 45 Ų | 45 | 102.3 Ų | 102.3 | 32% | 0.315 | 51% | 0.507 | S | S | . | . | trans | -71.8 | 120.4 | -179.6 | 87.3 | 0 | 0 | 0 | 0 | 111.8 | L280 A286 W287 R288 | L280-S284 PolarHBondContact O-N 3.42Å; S284-A286 PolarHBondContact O-N 2.86Å; S284-W287 PolarHBondContact O-N 3.35Å; S284-W287 WeakPolarHBondContact OG-CB 3.5Å; S284-W287 PolarHBondContact OG-N 3.29Å; S284-R288 PolarHBondContact O-N 3.46Å | ||
| 285 | E | 62.7 | Low | 66 | Low | 142 Ų | 142 | 102.6 Ų | 102.6 | 66% | 0.664 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.5 | -21.1 | 172.5 | -65.4 | 175.5 | 167.2 | 0 | 0 | 112.2 | G283 R289 | G283-E285 PolarHBondContact O-N 3.43Å; E285-R289 WeakPolarHBondContact O-CB 3.34Å; E285-R289 WeakPolarHBondContact O-CG 3.33Å; E285-R289 PolarHBondContact O-N 2.83Å; E285-R289 VanDerWaalsContact O-N 3.15Å; E285-R289 PolarHBondContact O-NE 3.5Å |
| 286 | A | 62.4 | Low | 65.2 | Low | 56 Ų | 56 | 104.8 Ų | 104.8 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.7 | -46.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S284 R288 R289 V290 | S284-A286 PolarHBondContact O-N 2.86Å; A286-R288 VanDerWaalsContact C-N 3.35Å; A286-R289 PolarHBondContact O-N 2.88Å; A286-V290 WeakPolarHBondContact O-CG2 3.29Å; A286-V290 PolarHBondContact O-N 2.92Å |
| 287 | W | 58.2 | Low | 64.2 | Low | 136 Ų | 136 | 104.3 Ų | 104.3 | 52% | 0.515 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | 175.8 | -174.5 | -112.7 | 0 | 0 | 0 | 111.7 | A281 S284 R289 V290 W291 | A281-W287 WeakPolarHBondContact O-CB 3.39Å; A281-W287 VanDerWaalsContact O-CD1 3.23Å; S284-W287 PolarHBondContact O-N 3.35Å; S284-W287 WeakPolarHBondContact OG-CB 3.5Å; S284-W287 PolarHBondContact OG-N 3.29Å; W287-R289 VanDerWaalsContact C-N 3.29Å; W287-R289 PolarHBondContact O-N 3.31Å; W287-V290 PolarHBondContact O-N 2.88Å; W287-W291 VanDerWaalsContact O-CB 3.27Å; W287-W291 WeakPolarHBondContact O-CB 3.4Å; W287-W291 PolarHBondContact O-N 2.88Å |
| 288 | R | 63.5 | Low | 63.1 | Low | 149 Ų | 149 | 102.9 Ų | 102.9 | 56% | 0.562 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.4 | -37.9 | 174.9 | -132.3 | -172.7 | -61.7 | -90.3 | -6.3 | 112.2 | L282 S284 A286 S292 | L282-R288 PolarHBondContact O-NH1 3.22Å; L282-R288 PolarHBondContact O-NH2 3.32Å; S284-R288 PolarHBondContact O-N 3.46Å; A286-R288 VanDerWaalsContact C-N 3.35Å; R288-S292 WeakPolarHBondContact O-CB 3.25Å; R288-S292 PolarHBondContact O-N 3.47Å; R288-S292 PolarHBondContact O-OG 2.92Å |
| 289 | R | 68.9 | Low | 62.4 | Low | 147 Ų | 147 | 104.8 Ų | 104.8 | 56% | 0.555 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -73 | -36 | 175.6 | -81.2 | -177 | -78.7 | 163.3 | -11.1 | 113.7 | E285 A286 W287 S292 R293 | E285-R289 WeakPolarHBondContact O-CB 3.34Å; E285-R289 WeakPolarHBondContact O-CG 3.33Å; E285-R289 PolarHBondContact O-N 2.83Å; E285-R289 VanDerWaalsContact O-N 3.15Å; E285-R289 PolarHBondContact O-NE 3.5Å; A286-R289 PolarHBondContact O-N 2.88Å; W287-R289 VanDerWaalsContact C-N 3.29Å; W287-R289 PolarHBondContact O-N 3.31Å; R289-S292 WeakPolarHBondContact CA-OG 3.45Å; R289-S292 PolarHBondContact O-OG 2.86Å; R289-S292 VanDerWaalsContact O-OG 3.09Å; R289-R293 WeakPolarHBondContact O-CB 3.43Å; R289-R293 WeakPolarHBondContact O-CG 3.46Å; R289-R293 PolarHBondContact O-N 3.32Å; R289-R293 VanDerWaalsContact O-N 3.12Å |
| 290 | V | 69.6 | Low | 60.7 | Low | 85 Ų | 85 | 107.1 Ų | 107.1 | 52% | 0.515 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.3 | -42.6 | 176.3 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | A286 W287 R293 S294 | A286-V290 WeakPolarHBondContact O-CG2 3.29Å; A286-V290 PolarHBondContact O-N 2.92Å; W287-V290 PolarHBondContact O-N 2.88Å; V290-R293 PolarHBondContact O-N 3.27Å; V290-S294 PolarHBondContact O-N 3.01Å |
| 291 | W | 65.1 | Low | 59.4 | Low | 153 Ų | 153 | 106.8 Ų | 106.8 | 58% | 0.58 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.3 | -41 | 175.9 | -172.5 | -100.1 | 0 | 0 | 0 | 112.3 | W287 S294 L295 | W287-W291 VanDerWaalsContact O-CB 3.27Å; W287-W291 WeakPolarHBondContact O-CB 3.4Å; W287-W291 PolarHBondContact O-N 2.88Å; W291-S294 PolarHBondContact O-N 3.41Å; W291-S294 PolarHBondContact O-OG 3.39Å; W291-L295 VanDerWaalsContact CD1-CD1 3.43Å; W291-L295 HydrophobicContact CD2-CD1 4.2Å; W291-L295 HydrophobicContact CG-CD1 4.11Å; W291-L295 HydrophobicContact CZ2-CD1 4.2Å; W291-L295 WeakPolarHBondContact O-CD1 3.36Å; W291-L295 PolarHBondContact O-N 3.03Å |
| 292 | S | 66.3 | Low | 58.6 | Low | 55 Ų | 55 | 112.7 Ų | 112.7 | 39% | 0.385 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.5 | -37.7 | 175.4 | 66.2 | 0 | 0 | 0 | 0 | 112.5 | R288 R289 Q296 | R288-S292 WeakPolarHBondContact O-CB 3.25Å; R288-S292 PolarHBondContact O-N 3.47Å; R288-S292 PolarHBondContact O-OG 2.92Å; R289-S292 WeakPolarHBondContact CA-OG 3.45Å; R289-S292 PolarHBondContact O-OG 2.86Å; R289-S292 VanDerWaalsContact O-OG 3.09Å; S292-Q296 VanDerWaalsContact O-CG 3.31Å; S292-Q296 WeakPolarHBondContact O-CG 3.25Å; S292-Q296 PolarHBondContact O-N 3.46Å |
| 293 | R | 64.1 | Low | 57.3 | Low | 168 Ų | 168 | 119 Ų | 119 | 63% | 0.634 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.8 | -38 | 173.4 | -78.3 | 178.8 | -175.6 | 175.6 | 0.6 | 113 | R289 V290 Q296 L297 | R289-R293 WeakPolarHBondContact O-CB 3.43Å; R289-R293 WeakPolarHBondContact O-CG 3.46Å; R289-R293 PolarHBondContact O-N 3.32Å; R289-R293 VanDerWaalsContact O-N 3.12Å; V290-R293 PolarHBondContact O-N 3.27Å; R293-Q296 PolarHBondContact O-N 2.94Å; R293-L297 WeakPolarHBondContact O-CG 3.28Å; R293-L297 PolarHBondContact O-N 2.65Å |
| 294 | S | 56.2 | Low | 56.1 | Low | 56 Ų | 56 | 120.5 Ų | 120.5 | 39% | 0.392 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -70.2 | -36 | 177.5 | 73.4 | 0 | 0 | 0 | 0 | 112.2 | V290 W291 L297 A298 | V290-S294 PolarHBondContact O-N 3.01Å; W291-S294 PolarHBondContact O-N 3.41Å; W291-S294 PolarHBondContact O-OG 3.39Å; S294-L297 PolarHBondContact O-N 3.31Å; S294-A298 WeakPolarHBondContact O-CB 3.45Å; S294-A298 PolarHBondContact O-N 3.07Å |
| 295 | L | 58.5 | Low | 54.7 | Low | 92 Ų | 92 | 122.1 Ų | 122.1 | 48% | 0.482 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67.9 | -32.6 | 171.6 | -95 | 133.8 | 0 | 0 | 0 | 113.1 | W291 A298 S299 | W291-L295 VanDerWaalsContact CD1-CD1 3.43Å; W291-L295 HydrophobicContact CD2-CD1 4.2Å; W291-L295 HydrophobicContact CG-CD1 4.11Å; W291-L295 HydrophobicContact CZ2-CD1 4.2Å; W291-L295 WeakPolarHBondContact O-CD1 3.36Å; W291-L295 PolarHBondContact O-N 3.03Å; L295-A298 PolarHBondContact O-N 3.28Å; L295-S299 WeakPolarHBondContact O-CB 3.41Å; L295-S299 PolarHBondContact O-N 2.86Å; L295-S299 PolarHBondContact O-OG 3.06Å |
| 296 | Q | 60.1 | Low | 53.6 | Low | 132 Ų | 132 | 120.1 Ų | 120.1 | 62% | 0.617 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.6 | -35.9 | 171.5 | -77 | 173.3 | -18.1 | 0 | 0 | 112.2 | S292 R293 S299 | S292-Q296 VanDerWaalsContact O-CG 3.31Å; S292-Q296 WeakPolarHBondContact O-CG 3.25Å; S292-Q296 PolarHBondContact O-N 3.46Å; R293-Q296 PolarHBondContact O-N 2.94Å; Q296-S299 PolarHBondContact O-OG 3.27Å |
| 297 | L | 56.7 | Low | 52.5 | Low | 126 Ų | 126 | 124 Ų | 124 | 66% | 0.66 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -73.2 | -26.5 | 174 | -74.8 | 164 | 0 | 0 | 0 | 113.1 | R293 S294 | R293-L297 WeakPolarHBondContact O-CG 3.28Å; R293-L297 PolarHBondContact O-N 2.65Å; S294-L297 PolarHBondContact O-N 3.31Å |
| 298 | A | 49 | Very low | 51.5 | Low | 85 Ų | 85 | 121.6 Ų | 121.6 | 70% | 0.702 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -85.4 | -10.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S294 L295 | S294-A298 WeakPolarHBondContact O-CB 3.45Å; S294-A298 PolarHBondContact O-N 3.07Å; L295-A298 PolarHBondContact O-N 3.28Å |
| 299 | S | 51.3 | Low | 50.1 | Low | 83 Ų | 83 | 119 Ų | 119 | 58% | 0.58 | 69% | 0.69 | S | S | * | * | trans | -108.6 | 20.5 | -175.6 | 52.9 | 0 | 0 | 0 | 0 | 114.8 | L295 Q296 P301 | L295-S299 WeakPolarHBondContact O-CB 3.41Å; L295-S299 PolarHBondContact O-N 2.86Å; L295-S299 PolarHBondContact O-OG 3.06Å; Q296-S299 PolarHBondContact O-OG 3.27Å; S299-P301 VanDerWaalsContact O-CD 3.31Å; S299-P301 WeakPolarHBondContact O-CD 3.19Å | ||
| 300 | W | 39.1 | Very low | 48.6 | Very low | 211 Ų | 211 | 118.5 Ų | 118.5 | 80% | 0.799 | 71% | 0.705 | S | S | * | * | trans | -71.2 | 120.7 | 172 | -128.3 | -44.1 | 0 | 0 | 0 | 110.8 | ||||
| 301 | P | 44.3 | Very low | 46.8 | Very low | 114 Ų | 114 | 124 Ų | 124 | 74% | 0.74 | 73% | 0.726 | S | S | * | * | trans | -76.9 | 136.4 | 178.7 | -10 | 26.8 | 0 | 0 | 0 | 111.3 | S299 | S299-P301 VanDerWaalsContact O-CD 3.31Å; S299-P301 WeakPolarHBondContact O-CD 3.19Å | ||
| 302 | N | 45.5 | Very low | 45.1 | Very low | 165 Ų | 165 | 120.2 Ų | 120.2 | 88% | 0.882 | 73% | 0.733 | S | S | * | * | trans | -90 | 102.6 | 173.8 | -166.1 | 14.9 | 0 | 0 | 0 | 110.5 | ||||
| 303 | R | 35.1 | Very low | 43.3 | Very low | 251 Ų | 251 | 125 Ų | 125 | 95% | 0.947 | 76% | 0.755 | S | S | * | * | trans | 172.1 | 130.8 | 160.6 | -108 | -176.5 | -167 | -154 | 2.1 | 107.3 | ||||
| 304 | G | 37.5 | Very low | 41.5 | Very low | 80 Ų | 80 | 122.1 Ų | 122.1 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | cis | 143 | 110.8 | 8.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 305 | G | 34.2 | Very low | 40.1 | Very low | 78 Ų | 78 | 128.5 Ų | 128.5 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 86.7 | 107 | 164.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 306 | A | 40.8 | Very low | 38.5 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | 82 | 128.9 | 75 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 307 | P | 38.8 | Very low | 37 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | -149.9 | 143 | 99.7 | 34.9 | -16.3 | 0 | 0 | 0 | 115.7 | |||||
| 308 | G | 37.6 | Very low | 35.4 | Very low | 84 Ų | 84 | 137.2 Ų | 137.2 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | 127.2 | 56.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 309 | A | 32.6 | Very low | 34.5 | Very low | 95 Ų | 95 | 138.1 Ų | 138.1 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | trans | -148.6 | 137.1 | 152.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 310 | P | 37.7 | Very low | 33.3 | Very low | 136 Ų | 136 | 140 Ų | 140 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | trans | -78.1 | 147.2 | -162 | 0.7 | 16 | 0 | 0 | 0 | 113 | ||||
| 311 | Q | 31.8 | Very low | 32.6 | Very low | 202 Ų | 202 | 139 Ų | 139 | 94% | 0.944 | 82% | 0.824 | S | S | * | * | trans | -61 | 144.8 | 175.1 | -82.7 | 164.7 | -11.6 | 0 | 0 | 113.6 | ||||
| 312 | G | 29.1 | Very low | 31.8 | Very low | 72 Ų | 72 | 140.6 Ų | 140.6 | 74% | 0.742 | 83% | 0.832 | S | S | * | * | trans | -166.6 | 75 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 313 | D | 28.6 | Very low | 30.7 | Very low | 156 Ų | 156 | 141.8 Ų | 141.8 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | trans | 55 | 96.8 | 148.3 | -67.2 | -20.3 | 0 | 0 | 0 | 122.2 | ||||
| 314 | S | 27.8 | Very low | 30.2 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | 32.8 | 89.9 | 117.7 | -158.1 | 0 | 0 | 0 | 0 | 118.5 | R316 | S314-R316 PolarHBondContact O-N 2.8Å; S314-R316 VanDerWaalsContact O-N 3.07Å | |||
| 315 | M | 25.5 | Very low | 29.5 | Very low | 190 Ų | 190 | 143.7 Ų | 143.7 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | trans | -75.2 | 95.5 | 161.2 | -167.5 | 146.2 | -80.9 | 0 | 0 | 110.3 | ||||
| 316 | R | 25.9 | Very low | 29.1 | Very low | 206 Ų | 206 | 144.2 Ų | 144.2 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | -64.1 | 132.5 | 156 | -103.6 | -177.4 | -94.4 | -176.8 | -6.5 | 108.4 | S314 F318 | S314-R316 PolarHBondContact O-N 2.8Å; S314-R316 VanDerWaalsContact O-N 3.07Å; R316-F318 PolarHBondContact O-N 2.83Å | ||
| 317 | V | 29.2 | Very low | 28.3 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -48.5 | 120.3 | 161 | 172.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 318 | F | 22.5 | Very low | 27.5 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | -134.4 | 121.8 | 163.7 | -121.5 | -87.2 | 0 | 0 | 0 | 110.3 | R316 | R316-F318 PolarHBondContact O-N 2.83Š| ||
| 319 | S | 30.2 | Very low | 27.5 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -72.4 | 130.3 | 166.5 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 320 | V | 25.6 | Very low | 27.1 | Very low | 122 Ų | 122 | 152.4 Ų | 152.4 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | trans | -144 | 102.1 | 162.9 | 178.2 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 321 | R | 23.8 | Very low | 26.4 | Very low | 189 Ų | 189 | 150.7 Ų | 150.7 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | 66.3 | 93.7 | 71.1 | -159.2 | -179.4 | -159.5 | 153.3 | 5.4 | 112.3 | |||||
| 322 | T | 27.3 | Very low | 26.1 | Very low | 148 Ų | 148 | 144.6 Ų | 144.6 | 91% | 0.908 | 77% | 0.773 | S | S | * | * | trans | -105.5 | 99.6 | 151.6 | -13.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 323 | R | 24.1 | Very low | 25.8 | Very low | 190 Ų | 190 | 152.5 Ų | 152.5 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | trans | -72.4 | 120.6 | 166.8 | 159.4 | 178.3 | -102.3 | 179.7 | -7.9 | 106.5 | ||||
| 324 | R | 23.9 | Very low | 25.6 | Very low | 185 Ų | 185 | 156 Ų | 156 | 70% | 0.698 | 78% | 0.783 | S | S | * | * | 58.8 | 116.7 | 74.2 | -161.6 | -175.4 | -169.7 | 170.4 | 7.2 | 114.2 | D326 | R324-D326 IonicContact CZ-OD1 3.36Å; R324-D326 VanDerWaalsContact CZ-OD1 3.31Å; R324-D326 IonicContact NE-OD1 3.87Å; R324-D326 PolarHBondContact NE-OD1 3.26Å; R324-D326 IonicContact NE-OD2 2.69Å; R324-D326 IonicContact NH2-OD1 3.33Å; R324-D326 PolarHBondContact NH2-OD1 2.81Å | |||
| 325 | Q | 23.3 | Very low | 25.4 | Very low | 187 Ų | 187 | 155.1 Ų | 155.1 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -152.6 | 95 | 137.5 | -132.5 | 160.6 | 7.2 | 0 | 0 | 105.6 | ||||
| 326 | D | 25.4 | Very low | 25.4 | Very low | 88 Ų | 88 | 154.6 Ų | 154.6 | 47% | 0.471 | 77% | 0.772 | S | S | . | * | 65 | 115.5 | 91.1 | -66.9 | -38.3 | 0 | 0 | 0 | 111 | R324 | R324-D326 IonicContact CZ-OD1 3.36Å; R324-D326 VanDerWaalsContact CZ-OD1 3.31Å; R324-D326 IonicContact NE-OD1 3.87Å; R324-D326 PolarHBondContact NE-OD1 3.26Å; R324-D326 IonicContact NE-OD2 2.69Å; R324-D326 IonicContact NH2-OD1 3.33Å; R324-D326 PolarHBondContact NH2-OD1 2.81Å | |||
| 327 | T | 23 | Very low | 25.3 | Very low | 141 Ų | 141 | 148.5 Ų | 148.5 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | -157.9 | 129.4 | 78.6 | -17 | 0 | 0 | 0 | 0 | 112 | |||||
| 328 | F | 23.2 | Very low | 25 | Very low | 181 Ų | 181 | 149.9 Ų | 149.9 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | -90.1 | -178.3 | 155.8 | -90.9 | -84.9 | 0 | 0 | 0 | 108.2 | ||||
| 329 | P | 37.2 | Very low | 25.1 | Very low | 98 Ų | 98 | 149.1 Ų | 149.1 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | cis | -135.2 | -168.8 | 13.5 | 39 | -16 | 0 | 0 | 0 | 112 | ||||
| 330 | E | 24.6 | Very low | 24.8 | Very low | 170 Ų | 170 | 152.2 Ų | 152.2 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | cis | -168.4 | 161.9 | 22.6 | -150.7 | 133.1 | 176 | 0 | 0 | 110.7 | ||||
| 331 | A | 22.8 | Very low | 24.8 | Very low | 101 Ų | 101 | 155.1 Ų | 155.1 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | 3 | 148.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 332 | G | 24.4 | Very low | 24.9 | Very low | 73 Ų | 73 | 150.3 Ų | 150.3 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | cis | 147 | 157.3 | 15 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 333 | R | 24.1 | Very low | 24.8 | Very low | 239 Ų | 239 | 154.2 Ų | 154.2 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | trans | 84.2 | 110.6 | 167 | -84.2 | -178.4 | -150.6 | -175.5 | 7.2 | 121.7 | ||||
| 334 | R | 24.2 | Very low | 25 | Very low | 229 Ų | 229 | 152.2 Ų | 152.2 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | 60.5 | 126.2 | 113 | -79.9 | -170.2 | 176.6 | -162.8 | -2.1 | 121.8 | |||||
| 335 | S | 23.9 | Very low | 25.2 | Very low | 89 Ų | 89 | 150.4 Ų | 150.4 | 62% | 0.622 | 78% | 0.78 | S | S | * | * | trans | 88.9 | 116.5 | 135.4 | -73.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 336 | E | 24.7 | Very low | 25.4 | Very low | 179 Ų | 179 | 152.4 Ų | 152.4 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | 73.4 | 130.6 | 127.2 | -66.4 | 170 | 177 | 0 | 0 | 121.2 | |||||
| 337 | A | 23.3 | Very low | 25.4 | Very low | 78 Ų | 78 | 153.2 Ų | 153.2 | 65% | 0.645 | 80% | 0.798 | S | S | * | * | trans | 87.1 | 135.2 | 141.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 338 | E | 24.6 | Very low | 25.7 | Very low | 172 Ų | 172 | 151.9 Ų | 151.9 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 75.4 | 105.2 | 147.9 | -70.6 | 162.1 | -163.4 | 0 | 0 | 116.6 | ||||
| 339 | E | 24.3 | Very low | 26.1 | Very low | 167 Ų | 167 | 148.8 Ų | 148.8 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | 99.6 | 125.6 | 79.1 | -102.1 | -178 | 174 | 0 | 0 | 110.6 | |||||
| 340 | E | 23.8 | Very low | 25.7 | Very low | 171 Ų | 171 | 149.1 Ų | 149.1 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | 70.5 | 110.3 | 147.7 | -147 | 142.1 | -165 | 0 | 0 | 119.1 | ||||
| 341 | E | 24.1 | Very low | 26 | Very low | 183 Ų | 183 | 152.5 Ų | 152.5 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | 171.7 | 153.7 | 95 | -159.1 | 169.4 | 179.5 | 0 | 0 | 111.7 | |||||
| 342 | A | 26.1 | Very low | 26.3 | Very low | 87 Ų | 87 | 150.5 Ų | 150.5 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | trans | 96.6 | 67.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 343 | R | 26.1 | Very low | 26.5 | Very low | 230 Ų | 230 | 158.3 Ų | 158.3 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | 49 | 88.5 | 124.3 | -67.7 | -178.7 | 178.6 | 173.6 | 1.7 | 118.5 | |||||
| 344 | T | 27.1 | Very low | 26.8 | Very low | 148 Ų | 148 | 155.6 Ų | 155.6 | 91% | 0.908 | 80% | 0.798 | S | S | * | * | trans | -87.9 | 104.5 | 148.3 | 41.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 345 | I | 28.8 | Very low | 27.2 | Very low | 148 Ų | 148 | 155.9 Ų | 155.9 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -66.9 | 126.7 | 173.4 | -69.6 | 171.6 | 0 | 0 | 0 | 109.7 | A347 | I345-A347 PolarHBondContact O-N 3.49Š| ||
| 346 | R | 27.5 | Very low | 27.9 | Very low | 228 Ų | 228 | 159.8 Ų | 159.8 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -36.1 | 115.9 | 157.6 | -92.3 | 171.7 | 163.1 | 164 | -4.8 | 111.4 | T348 | R346-T348 VanDerWaalsContact C-N 3.33Å; R346-T348 PolarHBondContact O-N 3.31Å; R346-T348 VanDerWaalsContact O-N 3.15Å | ||
| 347 | A | 26.4 | Very low | 28.4 | Very low | 105 Ų | 105 | 158.1 Ų | 158.1 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -82.5 | 84.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | I345 | I345-A347 PolarHBondContact O-N 3.49Š| ||
| 348 | T | 27.8 | Very low | 28.9 | Very low | 114 Ų | 114 | 161.3 Ų | 161.3 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | trans | -63 | 141.7 | 155.8 | -21 | 0 | 0 | 0 | 0 | 108.3 | R346 A350 | R346-T348 VanDerWaalsContact C-N 3.33Å; R346-T348 PolarHBondContact O-N 3.31Å; R346-T348 VanDerWaalsContact O-N 3.15Å; T348-A350 PolarHBondContact O-N 2.86Å | ||
| 349 | P | 31.9 | Very low | 29.6 | Very low | 116 Ų | 116 | 162.9 Ų | 162.9 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | trans | -65.8 | 129 | 168.8 | 27.4 | -31.5 | 0 | 0 | 0 | 108.6 | R351 | P349-R351 VanDerWaalsContact C-N 3.3Å; P349-R351 PolarHBondContact O-N 2.92Å | ||
| 350 | A | 28.9 | Very low | 30.3 | Very low | 104 Ų | 104 | 163.4 Ų | 163.4 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -64.8 | 91 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | T348 G352 | T348-A350 PolarHBondContact O-N 2.86Å; A350-G352 VanDerWaalsContact C-N 3.29Å; A350-G352 PolarHBondContact O-N 3.25Å | ||
| 351 | R | 32 | Very low | 31.1 | Very low | 242 Ų | 242 | 160.7 Ų | 160.7 | 91% | 0.913 | 82% | 0.822 | S | S | * | * | trans | -69.3 | 92.9 | 158.8 | -156 | 176.6 | -170.7 | -172 | 2.2 | 106.2 | P349 R353 | P349-R351 VanDerWaalsContact C-N 3.3Å; P349-R351 PolarHBondContact O-N 2.92Å; R351-R353 PolarHBondContact O-N 2.9Å | ||
| 352 | G | 27.7 | Very low | 32.3 | Very low | 59 Ų | 59 | 158.7 Ų | 158.7 | 61% | 0.608 | 83% | 0.825 | S | S | * | * | trans | -58.9 | 122.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | A350 E354 | A350-G352 VanDerWaalsContact C-N 3.29Å; A350-G352 PolarHBondContact O-N 3.25Å; G352-E354 PolarHBondContact O-N 3.3Å; G352-E354 VanDerWaalsContact O-N 3.1Å | ||
| 353 | R | 29.3 | Very low | 33 | Very low | 237 Ų | 237 | 157.6 Ų | 157.6 | 89% | 0.894 | 82% | 0.822 | S | S | * | * | trans | -69.1 | 95.7 | -175.7 | -167.7 | 174.4 | -174.4 | 171.2 | 0.2 | 108.9 | R351 R355 | R351-R353 PolarHBondContact O-N 2.9Å; R353-R355 PolarHBondContact O-N 3.48Å | ||
| 354 | E | 31.4 | Very low | 34.3 | Very low | 181 Ų | 181 | 150.4 Ų | 150.4 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -58.3 | 116.1 | 161.6 | -117.1 | 136.8 | 124.2 | 0 | 0 | 107.6 | G352 L356 | G352-E354 PolarHBondContact O-N 3.3Å; G352-E354 VanDerWaalsContact O-N 3.1Å; E354-L356 PolarHBondContact O-N 2.84Å | ||
| 355 | R | 31.2 | Very low | 35.8 | Very low | 236 Ų | 236 | 150.6 Ų | 150.6 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | -68.1 | 120.1 | 166.8 | -70.5 | -173.7 | -160.8 | -115.8 | 4.4 | 106.3 | R353 N357 | R353-R355 PolarHBondContact O-N 3.48Å; R355-N357 PolarHBondContact O-N 2.96Å; R355-N357 VanDerWaalsContact O-N 3.15Å | ||
| 356 | L | 38.9 | Very low | 37.6 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -45.4 | 112.6 | 156.4 | -73.6 | 143.2 | 0 | 0 | 0 | 108.9 | E354 | E354-L356 PolarHBondContact O-N 2.84Š| ||
| 357 | N | 35.7 | Very low | 40 | Very low | 144 Ų | 144 | 141 Ų | 141 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -161.5 | 137.5 | 138.2 | -107.2 | 11.2 | 0 | 0 | 0 | 110 | R355 | R355-N357 PolarHBondContact O-N 2.96Å; R355-N357 VanDerWaalsContact O-N 3.15Å | ||
| 358 | D | 33.1 | Very low | 42.2 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | 75 | 82.1 | 169.2 | -51.5 | -45.4 | 0 | 0 | 0 | 116.6 | E360 | D358-E360 PolarHBondContact O-N 3.2Š| ||
| 359 | E | 39.5 | Very low | 44.7 | Very low | 205 Ų | 205 | 146.6 Ų | 146.6 | 96% | 0.958 | 77% | 0.772 | S | S | * | * | trans | -70.5 | 109.8 | 155 | -67.1 | -145.4 | 121.6 | 0 | 0 | 109.7 | ||||
| 360 | E | 39.6 | Very low | 47.1 | Very low | 179 Ų | 179 | 144.9 Ų | 144.9 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | trans | -116.7 | 149.3 | 157.2 | -80.9 | -149.9 | 138.3 | 0 | 0 | 109.1 | D358 | D358-E360 PolarHBondContact O-N 3.2Š| ||
| 361 | P | 40.5 | Very low | 49.6 | Very low | 113 Ų | 113 | 145.3 Ų | 145.3 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | -68.4 | 160.1 | -161.4 | 29 | -34.8 | 0 | 0 | 0 | 112.9 | G363 | P361-G363 VanDerWaalsContact C-N 3.31Å; P361-G363 PolarHBondContact O-N 3.41Å | ||
| 362 | P | 48.6 | Very low | 52.1 | Low | 142 Ų | 142 | 140.1 Ų | 140.1 | 92% | 0.922 | 73% | 0.727 | S | S | * | * | trans | -77.2 | 81.1 | -170.8 | 32.9 | -33.5 | 0 | 0 | 0 | 110.8 | ||||
| 363 | G | 41.8 | Very low | 54.9 | Low | 63 Ų | 63 | 141.4 Ų | 141.4 | 65% | 0.649 | 72% | 0.718 | S | S | * | * | trans | -84.6 | 134 | 165 | 0 | 0 | 0 | 0 | 0 | 110.2 | P361 Q365 | P361-G363 VanDerWaalsContact C-N 3.31Å; P361-G363 PolarHBondContact O-N 3.41Å; G363-Q365 PolarHBondContact O-N 2.99Å | ||
| 364 | G | 52.9 | Low | 57.6 | Low | 80 Ų | 80 | 135 Ų | 135 | 83% | 0.825 | 70% | 0.698 | S | S | * | * | trans | -41.4 | 121 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | D366 | G364-D366 PolarHBondContact O-N 3.16Š| ||
| 365 | Q | 58 | Low | 60.4 | Low | 151 Ų | 151 | 131.3 Ų | 131.3 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | trans | -66.9 | 113.3 | 164.5 | -78.4 | 170 | 13 | 0 | 0 | 108.3 | G363 P367 | G363-Q365 PolarHBondContact O-N 2.99Å; Q365-P367 WeakPolarHBondContact O-CD 3.28Å; Q365-P367 VanDerWaalsContact O-N 3.17Å | ||
| 366 | D | 68.1 | Low | 63.1 | Low | 88 Ų | 88 | 125 Ų | 125 | 47% | 0.471 | 66% | 0.661 | S | S | . | * | trans | -48.3 | 119.4 | 172.9 | -98.9 | -49.2 | 0 | 0 | 0 | 110.2 | G364 W368 K369 | G364-D366 PolarHBondContact O-N 3.16Å; D366-W368 PolarHBondContact O-N 2.85Å; D366-K369 HydrophobicContact CB-CD 4.21Å; D366-K369 HydrophobicContact CB-CG 4.07Å; D366-K369 PolarHBondContact O-N 2.92Å | ||
| 367 | P | 76.4 | Confident | 65.5 | Low | 86 Ų | 86 | 124.6 Ų | 124.6 | 56% | 0.558 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -52.5 | -29.2 | 178.9 | -28.4 | 35 | 0 | 0 | 0 | 113.2 | Q365 L370 L371 | Q365-P367 WeakPolarHBondContact O-CD 3.28Å; Q365-P367 VanDerWaalsContact O-N 3.17Å; P367-L370 PolarHBondContact O-N 3.46Å; P367-L371 WeakPolarHBondContact O-CG 3.33Å; P367-L371 PolarHBondContact O-N 2.94Å; P367-L371 VanDerWaalsContact O-N 3.15Å |
| 368 | W | 73.8 | Confident | 68.1 | Low | 203 Ų | 203 | 123.2 Ų | 123.2 | 77% | 0.769 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.2 | -32.7 | 177.3 | -67.7 | 96.3 | 0 | 0 | 0 | 114 | D366 K372 | D366-W368 PolarHBondContact O-N 2.85Å; W368-K372 WeakPolarHBondContact O-CB 3.21Å; W368-K372 PolarHBondContact O-N 2.9Å; W368-K372 VanDerWaalsContact O-N 3.11Å |
| 369 | K | 79.9 | Confident | 71 | Confident | 135 Ų | 135 | 119.6 Ų | 119.6 | 59% | 0.587 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70 | -42 | 176.7 | -69.3 | -179.2 | -178 | 173.3 | 0 | 110.8 | D366 K372 E373 | D366-K369 HydrophobicContact CB-CD 4.21Å; D366-K369 HydrophobicContact CB-CG 4.07Å; D366-K369 PolarHBondContact O-N 2.92Å; K369-K372 PolarHBondContact O-N 3.43Å; K369-E373 WeakPolarHBondContact O-CG 3.35Å; K369-E373 PolarHBondContact O-N 3.35Å |
| 370 | L | 82 | Confident | 73.7 | Confident | 79 Ų | 79 | 109.9 Ų | 109.9 | 41% | 0.414 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.3 | -41.9 | 177.2 | -64.2 | 178.1 | 0 | 0 | 0 | 112.2 | P367 K372 E373 Q374 | P367-L370 PolarHBondContact O-N 3.46Å; L370-K372 VanDerWaalsContact C-N 3.34Å; L370-K372 PolarHBondContact O-N 3.16Å; L370-E373 PolarHBondContact O-N 2.98Å; L370-Q374 VanDerWaalsContact O-CG 3.26Å; L370-Q374 WeakPolarHBondContact O-CG 3.46Å; L370-Q374 PolarHBondContact O-N 3.36Å |
| 371 | L | 81.6 | Confident | 76.4 | Confident | 113 Ų | 113 | 104 Ų | 104 | 59% | 0.592 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63 | -41.8 | 175.8 | -71.8 | 172.2 | 0 | 0 | 0 | 111.8 | P367 Q374 E375 | P367-L371 WeakPolarHBondContact O-CG 3.33Å; P367-L371 PolarHBondContact O-N 2.94Å; P367-L371 VanDerWaalsContact O-N 3.15Å; L371-Q374 PolarHBondContact O-N 2.88Å; L371-E375 WeakPolarHBondContact O-CB 3.3Å; L371-E375 PolarHBondContact O-N 2.93Å |
| 372 | K | 83.6 | Confident | 78.9 | Confident | 134 Ų | 134 | 102.9 Ų | 102.9 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.4 | -43.2 | 177.3 | -169.8 | 176.9 | 179.4 | -176.2 | 0 | 111.9 | W368 K369 L370 Q374 E375 E376 | W368-K372 WeakPolarHBondContact O-CB 3.21Å; W368-K372 PolarHBondContact O-N 2.9Å; W368-K372 VanDerWaalsContact O-N 3.11Å; K369-K372 PolarHBondContact O-N 3.43Å; L370-K372 VanDerWaalsContact C-N 3.34Å; L370-K372 PolarHBondContact O-N 3.16Å; K372-Q374 PolarHBondContact O-N 2.85Å; K372-E375 PolarHBondContact O-N 3.4Å; K372-E376 VanDerWaalsContact CE-OE1 3.28Å; K372-E376 WeakPolarHBondContact CE-OE1 3.26Å; K372-E376 WeakPolarHBondContact O-CG 3.36Å; K372-E376 PolarHBondContact O-N 2.88Å |
| 373 | E | 87 | Confident | 81.1 | Confident | 86 Ų | 86 | 98.7 Ų | 98.7 | 40% | 0.402 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 175.9 | -74 | 176.3 | -163.2 | 0 | 0 | 112.8 | K369 L370 E375 R377 | K369-E373 WeakPolarHBondContact O-CG 3.35Å; K369-E373 PolarHBondContact O-N 3.35Å; L370-E373 PolarHBondContact O-N 2.98Å; E373-E375 VanDerWaalsContact C-N 3.33Å; E373-R377 WeakPolarHBondContact O-CB 3.35Å; E373-R377 VanDerWaalsContact O-CG 3.23Å; E373-R377 WeakPolarHBondContact O-CG 3.37Å; E373-R377 PolarHBondContact O-N 2.92Å |
| 374 | Q | 86.8 | Confident | 83.6 | Confident | 103 Ų | 103 | 102.6 Ų | 102.6 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 175.6 | -70 | -65.3 | -36.5 | 0 | 0 | 111.7 | L370 L371 K372 R377 K378 | L370-Q374 VanDerWaalsContact O-CG 3.26Å; L370-Q374 WeakPolarHBondContact O-CG 3.46Å; L370-Q374 PolarHBondContact O-N 3.36Å; L371-Q374 PolarHBondContact O-N 2.88Å; K372-Q374 PolarHBondContact O-N 2.85Å; Q374-R377 PolarHBondContact O-N 2.96Å; Q374-K378 WeakPolarHBondContact O-CG 3.34Å; Q374-K378 PolarHBondContact O-N 3.25Å |
| 375 | E | 88.5 | Confident | 85.5 | Confident | 103 Ų | 103 | 104 Ų | 104 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.8 | -44.5 | 177.4 | -164.1 | 58.4 | -148.8 | 0 | 0 | 111.5 | L371 K372 E373 R377 K378 K379 | L371-E375 WeakPolarHBondContact O-CB 3.3Å; L371-E375 PolarHBondContact O-N 2.93Å; K372-E375 PolarHBondContact O-N 3.4Å; E373-E375 VanDerWaalsContact C-N 3.33Å; E375-R377 VanDerWaalsContact C-N 3.29Å; E375-R377 PolarHBondContact O-N 3.38Å; E375-K378 WeakPolarHBondContact O-CB 3.16Å; E375-K378 PolarHBondContact O-N 3.48Å; E375-K378 IonicContact OE2-NZ 3.78Å; E375-K379 WeakPolarHBondContact O-CG 3.4Å |
| 376 | E | 89.2 | Confident | 87.2 | Confident | 104 Ų | 104 | 102 Ų | 102 | 49% | 0.486 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.7 | -37.1 | 175.6 | -73.4 | 173.2 | -176.3 | 0 | 0 | 112.2 | K372 K378 K379 | K372-E376 VanDerWaalsContact CE-OE1 3.28Å; K372-E376 WeakPolarHBondContact CE-OE1 3.26Å; K372-E376 WeakPolarHBondContact O-CG 3.36Å; K372-E376 PolarHBondContact O-N 2.88Å; E376-K378 PolarHBondContact O-N 2.89Å; E376-K379 PolarHBondContact O-N 3.41Å |
| 377 | R | 88.2 | Confident | 88.5 | Confident | 160 Ų | 160 | 100.6 Ų | 100.6 | 60% | 0.604 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.2 | -19.5 | 175.4 | -74.8 | 174.8 | -170.7 | -161.5 | 6.7 | 113.8 | E373 Q374 E375 K388 | E373-R377 WeakPolarHBondContact O-CB 3.35Å; E373-R377 VanDerWaalsContact O-CG 3.23Å; E373-R377 WeakPolarHBondContact O-CG 3.37Å; E373-R377 PolarHBondContact O-N 2.92Å; Q374-R377 PolarHBondContact O-N 2.96Å; E375-R377 VanDerWaalsContact C-N 3.29Å; E375-R377 PolarHBondContact O-N 3.38Å; R377-K388 VanDerWaalsContact O-CE 3.28Å; R377-K388 WeakPolarHBondContact O-CE 3.22Å; R377-K388 PolarHBondContact O-NZ 2.85Å |
| 378 | K | 91.1 | Very high | 89.4 | Confident | 115 Ų | 115 | 98.7 Ų | 98.7 | 50% | 0.5 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -86 | -11.3 | 176.8 | -67.9 | 172.6 | -171.5 | 171.2 | 0 | 113.1 | Q374 E375 E376 S387 K388 | Q374-K378 WeakPolarHBondContact O-CG 3.34Å; Q374-K378 PolarHBondContact O-N 3.25Å; E375-K378 WeakPolarHBondContact O-CB 3.16Å; E375-K378 PolarHBondContact O-N 3.48Å; E375-K378 IonicContact OE2-NZ 3.78Å; E376-K378 PolarHBondContact O-N 2.89Å; K378-S387 WeakPolarHBondContact O-CA 3.4Å; K378-K388 WeakPolarHBondContact O-CG 3.46Å; K378-K388 PolarHBondContact O-N 3.36Å |
| 379 | K | 94.6 | Very high | 90.4 | Very high | 69 Ų | 69 | 90.6 Ų | 90.6 | 30% | 0.3 | 44% | 0.437 | S | S | . | . | B | Isolated β-bridge | trans | -80.2 | 148.3 | -177.5 | -55.6 | -171 | -174.4 | -176.6 | 0 | 112.6 | E375 E376 V381 Q384 Q386 K388 | E375-K379 WeakPolarHBondContact O-CG 3.4Å; E376-K379 PolarHBondContact O-N 3.41Å; K379-V381 PolarHBondContact O-N 3.44Å; K379-Q384 WeakPolarHBondContact CD-O 3.29Å; K379-Q386 CarbonylContact C-O 3.58Å; K379-Q386 WeakPolarHBondContact CA-O 3.31Å; K379-K388 WeakPolarHBondContact O-CE 3.22Å |
| 380 | C | 95.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 84.2 Ų | 84.2 | 1% | 0.007 | 41% | 0.409 | C | S | . | . | trans | -54.5 | 134 | 176.8 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | I382 C383 Q384 Q386 C401 C404 | C380-I382 PolarHBondContact O-N 3.26Å; C380-I382 PolarHBondContact SG-N 2.68Å; C380-C383 VanDerWaalsContact CB-SG 3.57Å; C380-Q384 WeakPolarHBondContact O-CA 3.45Å; C380-Q384 PolarHBondContact O-N 3.42Å; C380-Q386 VanDerWaalsContact CB-O 3.31Å; C380-Q386 WeakPolarHBondContact CB-O 3.44Å; C380-Q386 PolarHBondContact N-O 2.94Å; C380-C401 HydrophobicContact CB-CB 3.98Å; C380-C401 PolarHBondContact SG-N 2.93Å; C380-C401 VanDerWaalsContact SG-N 3.38Å; C380-C404 VanDerWaalsContact SG-SG 3.7Å | ||
| 381 | V | 95.8 | Very high | 91.8 | Very high | 56 Ų | 56 | 82.2 Ų | 82.2 | 34% | 0.339 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -16.2 | -176.6 | -56.6 | 0 | 0 | 0 | 0 | 113.6 | K379 C399 L400 P419 L420 | K379-V381 PolarHBondContact O-N 3.44Å; V381-C399 HydrophobicContact CG1-CB 4.17Å; V381-C399 HydrophobicContact CG2-CB 4.19Å; V381-C399 WeakPolarHBondContact CG2-O 3.44Å; V381-C399 PolarHBondContact N-O 2.91Å; V381-L400 HydrophobicContact CG2-CD2 4.04Å; V381-P419 HydrophobicContact CG2-CB 3.88Å; V381-P419 HydrophobicContact CG2-CG 4.21Å; V381-L420 HydrophobicContact CG1-CD2 4.44Å |
| 382 | I | 94.2 | Very high | 92.5 | Very high | 90 Ų | 90 | 76.9 Ų | 76.9 | 46% | 0.462 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -60.4 | 178.4 | -64.6 | -178.4 | 0 | 0 | 0 | 110.9 | C380 L400 C404 P419 | C380-I382 PolarHBondContact O-N 3.26Å; C380-I382 PolarHBondContact SG-N 2.68Å; I382-L400 HydrophobicContact CB-CD2 4.23Å; I382-L400 HydrophobicContact CD1-CD1 4.4Å; I382-L400 HydrophobicContact CD1-CD2 3.38Å; I382-L400 HydrophobicContact CG1-CD2 3.51Å; I382-C404 HydrophobicContact CB-CB 4.21Å; I382-C404 HydrophobicContact CD1-CB 4.32Å; I382-C404 HydrophobicContact CG2-CB 4.4Å; I382-P419 HydrophobicContact CD1-CG 4.41Å |
| 383 | C | 95.1 | Very high | 93 | Very high | 54 Ų | 54 | 72.6 Ų | 72.6 | 37% | 0.365 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -18.2 | -176.4 | 66.8 | 0 | 0 | 0 | 0 | 114.4 | C380 D385 | C380-C383 VanDerWaalsContact CB-SG 3.57Å; C383-D385 HydrophobicContact CB-CB 4.46Å; C383-D385 PolarHBondContact O-N 2.88Å |
| 384 | Q | 93.8 | Very high | 93.1 | Very high | 145 Ų | 145 | 71.7 Ų | 71.7 | 68% | 0.678 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 52.8 | 23 | -176.1 | -56.4 | -174.6 | 18.8 | 0 | 0 | 114.8 | K379 C380 | K379-Q384 WeakPolarHBondContact CD-O 3.29Å; C380-Q384 WeakPolarHBondContact O-CA 3.45Å; C380-Q384 PolarHBondContact O-N 3.42Å |
| 385 | D | 93.3 | Very high | 93.5 | Very high | 108 Ų | 108 | 67.8 Ų | 67.8 | 58% | 0.578 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -120.7 | -66 | -174.6 | -177.1 | 32.6 | 0 | 0 | 0 | 110 | C383 | C383-D385 HydrophobicContact CB-CB 4.46Å; C383-D385 PolarHBondContact O-N 2.88Å |
| 386 | Q | 93.7 | Very high | 93.9 | Very high | 110 Ų | 110 | 72 Ų | 72 | 51% | 0.514 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -77.7 | 152.2 | -178.3 | -62.7 | -66.7 | 3.5 | 0 | 0 | 113.2 | K379 C380 C401 | K379-Q386 CarbonylContact C-O 3.58Å; K379-Q386 WeakPolarHBondContact CA-O 3.31Å; C380-Q386 VanDerWaalsContact CB-O 3.31Å; C380-Q386 WeakPolarHBondContact CB-O 3.44Å; C380-Q386 PolarHBondContact N-O 2.94Å; Q386-C401 HydrophobicContact CB-CB 3.74Å |
| 387 | S | 94 | Very high | 94.2 | Very high | 59 Ų | 59 | 70 Ų | 70 | 41% | 0.413 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -66.8 | 154.4 | 176.7 | 61.5 | 0 | 0 | 0 | 0 | 112.8 | K378 T389 C401 | K378-S387 WeakPolarHBondContact O-CA 3.4Å; S387-T389 PolarHBondContact O-N 2.88Å; S387-C401 VanDerWaalsContact O-CB 3.22Å; S387-C401 WeakPolarHBondContact O-CB 3.25Å |
| 388 | K | 95.8 | Very high | 94.6 | Very high | 46 Ų | 46 | 65.3 Ų | 65.3 | 20% | 0.2 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -73 | 118.3 | 177.1 | -63.3 | 161.2 | -179.6 | -178.9 | 0 | 110.1 | R377 K378 K379 L398 L400 L433 | R377-K388 VanDerWaalsContact O-CE 3.28Å; R377-K388 WeakPolarHBondContact O-CE 3.22Å; R377-K388 PolarHBondContact O-NZ 2.85Å; K378-K388 WeakPolarHBondContact O-CG 3.46Å; K378-K388 PolarHBondContact O-N 3.36Å; K379-K388 WeakPolarHBondContact O-CE 3.22Å; K388-L398 HydrophobicContact CB-CD1 4.06Å; K388-L398 HydrophobicContact CB-CG 3.95Å; K388-L400 CarbonylContact C-O 3.6Å; K388-L400 WeakPolarHBondContact CA-O 3.22Å; K388-L433 WeakPolarHBondContact O-CD1 3.23Å |
| 389 | T | 95.6 | Very high | 94.7 | Very high | 33 Ų | 33 | 59.8 Ų | 59.8 | 20% | 0.202 | 31% | 0.305 | C | S | . | . | trans | -129.7 | 2 | -176.1 | 57 | 0 | 0 | 0 | 0 | 113.9 | S387 L400 Q402 N430 V431 | S387-T389 PolarHBondContact O-N 2.88Å; T389-L400 PolarHBondContact N-O 3.4Å; T389-Q402 PolarHBondContact OG1-N 2.77Å; T389-N430 WeakPolarHBondContact O-CA 3.29Å; T389-V431 VanDerWaalsContact O-CG2 3.3Å; T389-V431 WeakPolarHBondContact O-CG2 3.28Å; T389-V431 PolarHBondContact O-N 3.21Å | ||
| 390 | V | 94.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 127.6 | -177.6 | -170.8 | 0 | 0 | 0 | 0 | 112.7 | L392 L398 L400 Q402 T405 T428 L429 N430 | V390-L392 HydrophobicContact CG1-CD2 4.27Å; V390-L398 WeakPolarHBondContact O-CD1 3.22Å; V390-L400 PolarHBondContact N-O 3.44Å; V390-Q402 HydrophobicContact CG2-CB 4.37Å; V390-T405 HydrophobicContact CG1-CG2 4.01Å; V390-T405 WeakPolarHBondContact CG2-OG1 3.45Å; V390-T428 HydrophobicContact CG1-CG2 4.4Å; V390-L429 WeakPolarHBondContact CA-O 3.37Å; V390-N430 WeakPolarHBondContact CG2-OD1 3.44Å |
| 391 | L | 95.9 | Very high | 94.8 | Very high | 38 Ų | 38 | 56.7 Ų | 56.7 | 20% | 0.199 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 127.1 | 173.3 | -162.5 | 80.5 | 0 | 0 | 0 | 110.6 | R396 L398 L429 | L391-R396 VanDerWaalsContact CD1-O 3.27Å; L391-R396 WeakPolarHBondContact CD1-O 3.34Å; L391-R396 HydrophobicContact CD2-CB 4.47Å; L391-L398 HydrophobicContact CD1-CB 3.96Å; L391-L429 HydrophobicContact CB-CB 4.32Å; L391-L429 HydrophobicContact CD2-CD2 4.44Å; L391-L429 PolarHBondContact N-O 3.33Å; L391-L429 PolarHBondContact O-N 3.35Å |
| 392 | L | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 125.4 | -177.5 | -55.2 | 179.9 | 0 | 0 | 0 | 111.9 | V390 C395 R396 H397 L400 C418 I425 T428 | V390-L392 HydrophobicContact CG1-CD2 4.27Å; L392-C395 CarbonylContact O-C 3.53Å; L392-C395 PolarHBondContact O-N 3.36Å; L392-C395 PolarHBondContact O-SG 3.09Å; L392-R396 VanDerWaalsContact O-CA 3.29Å; L392-R396 WeakPolarHBondContact O-CA 3.32Å; L392-R396 PolarHBondContact O-N 3.1Å; L392-H397 PolarHBondContact N-O 3.49Å; L392-H397 VanDerWaalsContact N-O 3.08Å; L392-L400 HydrophobicContact CD1-CD1 4.12Å; L392-L400 HydrophobicContact CD2-CD1 4.4Å; L392-C418 HydrophobicContact CD1-CB 4.04Å; L392-I425 HydrophobicContact CB-CG1 4.47Å; L392-I425 HydrophobicContact CD1-CD1 3.9Å; L392-I425 HydrophobicContact CD1-CG1 4.28Å; L392-I425 HydrophobicContact CD2-CD1 4.15Å; L392-I425 HydrophobicContact CD2-CG2 4.24Å; L392-T428 HydrophobicContact CD2-CG2 3.82Å |
| 393 | L | 93.8 | Very high | 94.9 | Very high | 45 Ų | 45 | 57.1 Ų | 57.1 | 24% | 0.236 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 141.9 | -179.9 | -64.2 | 173.1 | 0 | 0 | 0 | 112.1 | R396 L426 Q427 | L393-R396 HydrophobicContact CD2-CG 3.92Å; L393-L426 PolarHBondContact O-N 2.87Å; L393-Q427 HydrophobicContact CB-CB 4.1Å; L393-Q427 WeakPolarHBondContact CB-O 3.41Å; L393-Q427 HydrophobicContact CD1-CB 4.04Å; L393-Q427 PolarHBondContact N-O 2.88Å |
| 394 | P | 90.6 | Very high | 94.9 | Very high | 66 Ų | 66 | 55.1 Ų | 55.1 | 43% | 0.429 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -89.1 | -3.5 | 10 | 34.3 | -35.8 | 0 | 0 | 0 | 115.1 | R396 | P394-R396 VanDerWaalsContact C-N 3.28Å; P394-R396 PolarHBondContact O-N 3.19Å |
| 395 | C | 95.2 | Very high | 95 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 15% | 0.149 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -13.7 | -171.8 | 62.6 | 0 | 0 | 0 | 0 | 115.8 | L392 H397 C421 R423 | L392-C395 CarbonylContact O-C 3.53Å; L392-C395 PolarHBondContact O-N 3.36Å; L392-C395 PolarHBondContact O-SG 3.09Å; C395-H397 PolarHBondContact O-N 2.89Å; C395-C421 WeakPolarHBondContact CB-SG 3.32Å; C395-R423 HydrophobicContact CB-CB 4.44Å |
| 396 | R | 95 | Very high | 95.1 | Very high | 191 Ų | 191 | 47.8 Ų | 47.8 | 72% | 0.721 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 30.4 | -178.9 | -58.3 | 178.6 | -178.8 | 179.4 | -0.4 | 114.8 | L391 L392 L393 P394 | L391-R396 VanDerWaalsContact CD1-O 3.27Å; L391-R396 WeakPolarHBondContact CD1-O 3.34Å; L391-R396 HydrophobicContact CD2-CB 4.47Å; L392-R396 VanDerWaalsContact O-CA 3.29Å; L392-R396 WeakPolarHBondContact O-CA 3.32Å; L392-R396 PolarHBondContact O-N 3.1Å; L393-R396 HydrophobicContact CD2-CG 3.92Å; P394-R396 VanDerWaalsContact C-N 3.28Å; P394-R396 PolarHBondContact O-N 3.19Å |
| 397 | H | 96.6 | Very high | 95.1 | Very high | 63 Ų | 63 | 47.2 Ų | 47.2 | 29% | 0.292 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 125.5 | 175.4 | -74.1 | 115.6 | 0 | 0 | 0 | 111.4 | L392 C395 L420 C421 | L392-H397 PolarHBondContact N-O 3.49Å; L392-H397 VanDerWaalsContact N-O 3.08Å; C395-H397 PolarHBondContact O-N 2.89Å; H397-L420 HydrophobicContact CB-CD1 4.11Å; H397-C421 VanDerWaalsContact CE1-CB 3.48Å; H397-C421 WeakPolarHBondContact CE1-CB 3.24Å; H397-C421 VanDerWaalsContact CE1-SG 3.55Å; H397-C421 PolarHBondContact ND1-SG 2.82Å |
| 398 | L | 95.3 | Very high | 95.1 | Very high | 60 Ų | 60 | 45.6 Ų | 45.6 | 31% | 0.314 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 96.4 | 169.9 | -179.7 | 58.9 | 0 | 0 | 0 | 108.5 | K388 V390 L391 V431 | K388-L398 HydrophobicContact CB-CD1 4.06Å; K388-L398 HydrophobicContact CB-CG 3.95Å; V390-L398 WeakPolarHBondContact O-CD1 3.22Å; L391-L398 HydrophobicContact CD1-CB 3.96Å; L398-V431 HydrophobicContact CD1-CG2 3.59Å; L398-V431 HydrophobicContact CD2-CG2 4.41Å |
| 399 | C | 94.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | -9.2 | -173.2 | 60.2 | 0 | 0 | 0 | 0 | 115.2 | V381 L420 | V381-C399 HydrophobicContact CG1-CB 4.17Å; V381-C399 HydrophobicContact CG2-CB 4.19Å; V381-C399 WeakPolarHBondContact CG2-O 3.44Å; V381-C399 PolarHBondContact N-O 2.91Å; C399-L420 HydrophobicContact CB-CD1 3.67Å; C399-L420 HydrophobicContact CB-CG 3.85Å |
| 400 | L | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 151.4 | -175.5 | -62.6 | -179.2 | 0 | 0 | 0 | 111.9 | V381 I382 K388 T389 V390 L392 C404 T405 L408 P419 | V381-L400 HydrophobicContact CG2-CD2 4.04Å; I382-L400 HydrophobicContact CB-CD2 4.23Å; I382-L400 HydrophobicContact CD1-CD1 4.4Å; I382-L400 HydrophobicContact CD1-CD2 3.38Å; I382-L400 HydrophobicContact CG1-CD2 3.51Å; K388-L400 CarbonylContact C-O 3.6Å; K388-L400 WeakPolarHBondContact CA-O 3.22Å; T389-L400 PolarHBondContact N-O 3.4Å; V390-L400 PolarHBondContact N-O 3.44Å; L392-L400 HydrophobicContact CD1-CD1 4.12Å; L392-L400 HydrophobicContact CD2-CD1 4.4Å; L400-C404 HydrophobicContact CD2-CB 4.43Å; L400-T405 WeakPolarHBondContact CB-OG1 3.19Å; L400-L408 HydrophobicContact CD1-CD2 3.76Å; L400-P419 HydrophobicContact CD1-CG 4.41Å; L400-P419 HydrophobicContact CD2-CG 4.09Å; L400-P419 HydrophobicContact CG-CG 4.48Å |
| 401 | C | 96.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.034 | 28% | 0.282 | C | S | . | . | trans | -82.6 | 166.5 | 161.4 | 70.3 | 0 | 0 | 0 | 0 | 110.3 | C380 Q386 S387 A403 C404 T405 | C380-C401 HydrophobicContact CB-CB 3.98Å; C380-C401 PolarHBondContact SG-N 2.93Å; C380-C401 VanDerWaalsContact SG-N 3.38Å; Q386-C401 HydrophobicContact CB-CB 3.74Å; S387-C401 VanDerWaalsContact O-CB 3.22Å; S387-C401 WeakPolarHBondContact O-CB 3.25Å; C401-A403 PolarHBondContact O-N 3.39Å; C401-C404 PolarHBondContact O-N 3.07Å; C401-C404 PolarHBondContact SG-N 3.1Å; C401-C404 PolarHBondContact SG-SG 2.93Å; C401-T405 PolarHBondContact O-N 3.37Å; C401-T405 PolarHBondContact O-OG1 3.3Å | ||
| 402 | Q | 95.3 | Very high | 94 | Very high | 96 Ų | 96 | 58.9 Ų | 58.9 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.5 | -49.4 | 179.6 | -175.5 | 175.5 | -5.4 | 0 | 0 | 112.4 | T389 V390 C404 T405 E406 | T389-Q402 PolarHBondContact OG1-N 2.77Å; V390-Q402 HydrophobicContact CG2-CB 4.37Å; Q402-C404 PolarHBondContact O-N 2.93Å; Q402-T405 WeakPolarHBondContact O-CB 3.46Å; Q402-T405 PolarHBondContact O-N 2.87Å; Q402-T405 VanDerWaalsContact O-N 3.11Å; Q402-E406 PolarHBondContact NE2-OE1 3.47Å; Q402-E406 PolarHBondContact O-N 3.47Å |
| 403 | A | 96.3 | Very high | 93.4 | Very high | 58 Ų | 58 | 64 Ų | 64 | 48% | 0.479 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.3 | -43.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C401 T405 E406 I407 | C401-A403 PolarHBondContact O-N 3.39Å; A403-T405 VanDerWaalsContact C-N 3.35Å; A403-E406 PolarHBondContact O-N 3.34Å; A403-I407 WeakPolarHBondContact O-CG1 3.36Å; A403-I407 PolarHBondContact O-N 2.84Å |
| 404 | C | 96.1 | Very high | 92.9 | Very high | 12 Ų | 12 | 70 Ų | 70 | 8% | 0.081 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.3 | -33.9 | 177.6 | -71.8 | 0 | 0 | 0 | 0 | 112.4 | C380 I382 L400 C401 Q402 L408 | C380-C404 VanDerWaalsContact SG-SG 3.7Å; I382-C404 HydrophobicContact CB-CB 4.21Å; I382-C404 HydrophobicContact CD1-CB 4.32Å; I382-C404 HydrophobicContact CG2-CB 4.4Å; L400-C404 HydrophobicContact CD2-CB 4.43Å; C401-C404 PolarHBondContact O-N 3.07Å; C401-C404 PolarHBondContact SG-N 3.1Å; C401-C404 PolarHBondContact SG-SG 2.93Å; Q402-C404 PolarHBondContact O-N 2.93Å; C404-L408 WeakPolarHBondContact O-CB 3.34Å; C404-L408 PolarHBondContact O-N 3.43Å |
| 405 | T | 95.4 | Very high | 92.7 | Very high | 7 Ų | 7 | 72.3 Ų | 72.3 | 4% | 0.043 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 174.9 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | V390 L400 C401 Q402 A403 I407 L408 M409 T428 | V390-T405 HydrophobicContact CG1-CG2 4.01Å; V390-T405 WeakPolarHBondContact CG2-OG1 3.45Å; L400-T405 WeakPolarHBondContact CB-OG1 3.19Å; C401-T405 PolarHBondContact O-N 3.37Å; C401-T405 PolarHBondContact O-OG1 3.3Å; Q402-T405 WeakPolarHBondContact O-CB 3.46Å; Q402-T405 PolarHBondContact O-N 2.87Å; Q402-T405 VanDerWaalsContact O-N 3.11Å; A403-T405 VanDerWaalsContact C-N 3.35Å; T405-I407 VanDerWaalsContact C-N 3.3Å; T405-I407 PolarHBondContact O-N 2.85Å; T405-L408 WeakPolarHBondContact O-CB 3.39Å; T405-L408 PolarHBondContact O-N 3.33Å; T405-L408 VanDerWaalsContact O-N 3.13Å; T405-M409 HydrophobicContact CG2-CG 4.12Å; T405-M409 VanDerWaalsContact O-CG 3.31Å; T405-M409 WeakPolarHBondContact O-CG 3.23Å; T405-M409 PolarHBondContact O-N 2.98Å; T405-T428 HydrophobicContact CG2-CG2 3.81Å |
| 406 | E | 94.8 | Very high | 92.6 | Very high | 93 Ų | 93 | 74.2 Ų | 74.2 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 178.6 | -74.6 | 175.1 | -162.8 | 0 | 0 | 111.8 | Q402 A403 M409 R410 | Q402-E406 PolarHBondContact NE2-OE1 3.47Å; Q402-E406 PolarHBondContact O-N 3.47Å; A403-E406 PolarHBondContact O-N 3.34Å; E406-M409 PolarHBondContact O-N 2.88Å; E406-R410 WeakPolarHBondContact O-CG 3.42Å; E406-R410 PolarHBondContact O-N 3.49Å |
| 407 | I | 94.3 | Very high | 92.6 | Very high | 97 Ų | 97 | 68.4 Ų | 68.4 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 174.1 | -62.6 | 165.3 | 0 | 0 | 0 | 110.4 | A403 T405 M409 R410 | A403-I407 WeakPolarHBondContact O-CG1 3.36Å; A403-I407 PolarHBondContact O-N 2.84Å; T405-I407 VanDerWaalsContact C-N 3.3Å; T405-I407 PolarHBondContact O-N 2.85Å; I407-M409 VanDerWaalsContact C-N 3.3Å; I407-M409 PolarHBondContact O-N 3.36Å; I407-R410 WeakPolarHBondContact O-CB 3.29Å; I407-R410 PolarHBondContact O-N 3.5Å; I407-R410 VanDerWaalsContact O-N 3.17Å |
| 408 | L | 92.9 | Very high | 92.5 | Very high | 26 Ų | 26 | 65.4 Ų | 65.4 | 14% | 0.136 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.7 | -38.6 | 179.6 | -171.8 | 67.1 | 0 | 0 | 0 | 112.2 | L400 C404 T405 R410 H411 I425 | L400-L408 HydrophobicContact CD1-CD2 3.76Å; C404-L408 WeakPolarHBondContact O-CB 3.34Å; C404-L408 PolarHBondContact O-N 3.43Å; T405-L408 WeakPolarHBondContact O-CB 3.39Å; T405-L408 PolarHBondContact O-N 3.33Å; T405-L408 VanDerWaalsContact O-N 3.13Å; L408-R410 VanDerWaalsContact C-N 3.32Å; L408-R410 PolarHBondContact O-N 3.43Å; L408-H411 WeakPolarHBondContact O-CB 3.41Å; L408-H411 PolarHBondContact O-N 3.17Å; L408-I425 HydrophobicContact CD2-CD1 3.45Å; L408-I425 VanDerWaalsContact CD2-CD1 3.45Å; L408-I425 HydrophobicContact CG-CD1 4.4Å |
| 409 | M | 91.1 | Very high | 92.5 | Very high | 49 Ų | 49 | 65.2 Ų | 65.2 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -75.8 | -16.5 | -179.7 | -66 | -63.1 | -85.8 | 0 | 0 | 113.3 | T405 E406 I407 H411 R416 I425 T428 | T405-M409 HydrophobicContact CG2-CG 4.12Å; T405-M409 VanDerWaalsContact O-CG 3.31Å; T405-M409 WeakPolarHBondContact O-CG 3.23Å; T405-M409 PolarHBondContact O-N 2.98Å; E406-M409 PolarHBondContact O-N 2.88Å; I407-M409 VanDerWaalsContact C-N 3.3Å; I407-M409 PolarHBondContact O-N 3.36Å; M409-H411 VanDerWaalsContact C-N 3.26Å; M409-H411 PolarHBondContact O-N 3.4Å; M409-R416 PolarHBondContact O-NE 3.07Å; M409-R416 PolarHBondContact O-NH2 3.4Å; M409-R416 HydrophobicContact SD-CG 4.48Å; M409-I425 HydrophobicContact SD-CG2 4.23Å; M409-T428 HydrophobicContact CE-CG2 4.22Å; M409-T428 HydrophobicContact SD-CG2 4.24Å |
| 410 | R | 92.5 | Very high | 92.5 | Very high | 201 Ų | 201 | 70 Ų | 70 | 76% | 0.758 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -70.1 | -22.9 | 170.7 | -72.1 | 174.3 | -170.7 | 178.8 | 4 | 112.7 | E406 I407 L408 | E406-R410 WeakPolarHBondContact O-CG 3.42Å; E406-R410 PolarHBondContact O-N 3.49Å; I407-R410 WeakPolarHBondContact O-CB 3.29Å; I407-R410 PolarHBondContact O-N 3.5Å; I407-R410 VanDerWaalsContact O-N 3.17Å; L408-R410 VanDerWaalsContact C-N 3.32Å; L408-R410 PolarHBondContact O-N 3.43Å |
| 411 | H | 88.8 | Confident | 92.4 | Very high | 93 Ų | 93 | 72.4 Ų | 72.4 | 43% | 0.431 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -67.8 | 157 | 175.7 | -71.9 | -73 | 0 | 0 | 0 | 111.9 | L408 M409 H415 R416 | L408-H411 WeakPolarHBondContact O-CB 3.41Å; L408-H411 PolarHBondContact O-N 3.17Å; M409-H411 VanDerWaalsContact C-N 3.26Å; M409-H411 PolarHBondContact O-N 3.4Å; H411-H415 HydrophobicContact CB-CB 4.17Å; H411-R416 PolarHBondContact O-NE 2.97Å; H411-R416 PolarHBondContact O-NH2 2.92Å; H411-R416 VanDerWaalsContact O-NH2 3.13Å |
| 412 | P | 87.9 | Confident | 92.3 | Very high | 53 Ų | 53 | 82 Ų | 82 | 34% | 0.344 | 40% | 0.398 | S | S | . | . | trans | -56.1 | 150.3 | 173.9 | -21.9 | 32.1 | 0 | 0 | 0 | 111.8 | Y414 H415 | P412-Y414 HydrophobicContact CB-CD1 3.77Å; P412-Y414 HydrophobicContact CB-CD2 4.41Å; P412-Y414 HydrophobicContact CB-CE1 3.18Å; P412-Y414 HydrophobicContact CB-CE2 3.94Å; P412-Y414 HydrophobicContact CB-CG 4.33Å; P412-Y414 WeakPolarHBondContact CB-OH 3.36Å; P412-Y414 HydrophobicContact CG-CE1 4.14Å; P412-Y414 HydrophobicContact CG-CE2 4.34Å; P412-Y414 WeakPolarHBondContact CG-OH 3.36Å; P412-Y414 PolarHBondContact O-N 3.43Å; P412-H415 PolarHBondContact O-N 3.03Å | ||
| 413 | V | 82.9 | Confident | 92.2 | Very high | 107 Ų | 107 | 85 Ų | 85 | 65% | 0.648 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -53.2 | -35.4 | -171.5 | -178.5 | 0 | 0 | 0 | 0 | 113.1 | H415 R416 | V413-H415 VanDerWaalsContact C-N 3.27Å; V413-H415 PolarHBondContact O-N 3.32Å; V413-R416 PolarHBondContact O-N 3.2Å |
| 414 | Y | 83.5 | Confident | 92 | Very high | 172 Ų | 172 | 84 Ų | 84 | 68% | 0.675 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -70.9 | -15.3 | 179.5 | 49.3 | -89.3 | 0 | 0 | 0 | 114.7 | P412 | P412-Y414 HydrophobicContact CB-CD1 3.77Å; P412-Y414 HydrophobicContact CB-CD2 4.41Å; P412-Y414 HydrophobicContact CB-CE1 3.18Å; P412-Y414 HydrophobicContact CB-CE2 3.94Å; P412-Y414 HydrophobicContact CB-CG 4.33Å; P412-Y414 WeakPolarHBondContact CB-OH 3.36Å; P412-Y414 HydrophobicContact CG-CE1 4.14Å; P412-Y414 HydrophobicContact CG-CE2 4.34Å; P412-Y414 WeakPolarHBondContact CG-OH 3.36Å; P412-Y414 PolarHBondContact O-N 3.43Å |
| 415 | H | 86.8 | Confident | 92 | Very high | 113 Ų | 113 | 83.9 Ų | 83.9 | 52% | 0.523 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -100.8 | -1.4 | 175.2 | -73.8 | -74.7 | 0 | 0 | 0 | 113.6 | H411 P412 V413 N417 | H411-H415 HydrophobicContact CB-CB 4.17Å; P412-H415 PolarHBondContact O-N 3.03Å; V413-H415 VanDerWaalsContact C-N 3.27Å; V413-H415 PolarHBondContact O-N 3.32Å; H415-N417 VanDerWaalsContact C-N 3.32Å; H415-N417 PolarHBondContact O-N 3.47Å |
| 416 | R | 92.9 | Very high | 91.8 | Very high | 63 Ų | 63 | 90 Ų | 90 | 24% | 0.238 | 43% | 0.431 | C | S | . | . | trans | -82.8 | 76.3 | -179.2 | -61.3 | 179.1 | -171.2 | 175.3 | 0.5 | 110.5 | M409 H411 V413 G424 I425 | M409-R416 PolarHBondContact O-NE 3.07Å; M409-R416 PolarHBondContact O-NH2 3.4Å; M409-R416 HydrophobicContact SD-CG 4.48Å; H411-R416 PolarHBondContact O-NE 2.97Å; H411-R416 PolarHBondContact O-NH2 2.92Å; H411-R416 VanDerWaalsContact O-NH2 3.13Å; V413-R416 PolarHBondContact O-N 3.2Å; R416-G424 CarbonylContact O-C 3.56Å; R416-G424 WeakPolarHBondContact O-CA 3.46Å; R416-I425 HydrophobicContact CB-CB 4.42Å; R416-I425 PolarHBondContact O-N 3.01Å | ||
| 417 | N | 94.3 | Very high | 91.5 | Very high | 68 Ų | 68 | 91.8 Ų | 91.8 | 36% | 0.364 | 44% | 0.439 | S | S | . | . | B | Isolated β-bridge | trans | -111.5 | 144.3 | -179.4 | -64.7 | -38 | 0 | 0 | 0 | 111.5 | H415 R423 G424 | H415-N417 VanDerWaalsContact C-N 3.32Å; H415-N417 PolarHBondContact O-N 3.47Å; N417-R423 WeakPolarHBondContact CA-O 3.42Å; N417-G424 WeakPolarHBondContact OD1-CA 3.27Å |
| 418 | C | 95.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 89.7 Ų | 89.7 | 1% | 0.007 | 43% | 0.431 | C | S | . | . | trans | -62.9 | 128.9 | 174 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | L392 L420 R422 R423 | L392-C418 HydrophobicContact CD1-CB 4.04Å; C418-L420 PolarHBondContact O-N 3.45Å; C418-R422 WeakPolarHBondContact O-CA 3.45Å; C418-R422 PolarHBondContact O-N 3.01Å; C418-R423 PolarHBondContact N-O 3.02Å | ||
| 419 | P | 94.3 | Very high | 91.6 | Very high | 56 Ų | 56 | 92.9 Ų | 92.9 | 36% | 0.364 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27.5 | -180 | -25.5 | 33.9 | 0 | 0 | 0 | 114.8 | V381 I382 L400 | V381-P419 HydrophobicContact CG2-CB 3.88Å; V381-P419 HydrophobicContact CG2-CG 4.21Å; I382-P419 HydrophobicContact CD1-CG 4.41Å; L400-P419 HydrophobicContact CD1-CG 4.41Å; L400-P419 HydrophobicContact CD2-CG 4.09Å; L400-P419 HydrophobicContact CG-CG 4.48Å |
| 420 | L | 94 | Very high | 91.7 | Very high | 99 Ų | 99 | 94.1 Ų | 94.1 | 52% | 0.518 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -48.1 | -178 | -63.4 | -173.9 | 0 | 0 | 0 | 112.7 | V381 H397 C399 C418 | V381-L420 HydrophobicContact CG1-CD2 4.44Å; H397-L420 HydrophobicContact CB-CD1 4.11Å; C399-L420 HydrophobicContact CB-CD1 3.67Å; C399-L420 HydrophobicContact CB-CG 3.85Å; C418-L420 PolarHBondContact O-N 3.45Å |
| 421 | C | 94.9 | Very high | 91.6 | Very high | 52 Ų | 52 | 86.7 Ų | 86.7 | 35% | 0.351 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | 0 | -170.8 | 70.5 | 0 | 0 | 0 | 0 | 114.5 | C395 H397 R423 | C395-C421 WeakPolarHBondContact CB-SG 3.32Å; H397-C421 VanDerWaalsContact CE1-CB 3.48Å; H397-C421 WeakPolarHBondContact CE1-CB 3.24Å; H397-C421 VanDerWaalsContact CE1-SG 3.55Å; H397-C421 PolarHBondContact ND1-SG 2.82Å; C421-R423 PolarHBondContact O-N 2.92Å |
| 422 | R | 93.5 | Very high | 91.2 | Very high | 207 Ų | 207 | 92.5 Ų | 92.5 | 78% | 0.781 | 45% | 0.451 | S | S | * | . | trans | 59.3 | 9.7 | 178.3 | -54.8 | 177.9 | -176.6 | -105.3 | -0.5 | 115.5 | C418 | C418-R422 WeakPolarHBondContact O-CA 3.45Å; C418-R422 PolarHBondContact O-N 3.01Å | ||
| 423 | R | 93.5 | Very high | 90 | Very high | 159 Ų | 159 | 98.8 Ų | 98.8 | 60% | 0.6 | 48% | 0.481 | S | S | * | . | trans | -73.6 | 142.1 | 175.4 | -156.9 | 170.1 | -146.9 | 157.8 | 7.1 | 110.7 | C395 N417 C418 C421 | C395-R423 HydrophobicContact CB-CB 4.44Å; N417-R423 WeakPolarHBondContact CA-O 3.42Å; C418-R423 PolarHBondContact N-O 3.02Å; C421-R423 PolarHBondContact O-N 2.92Å | ||
| 424 | G | 93 | Very high | 90.4 | Very high | 35 Ų | 35 | 98.4 Ų | 98.4 | 36% | 0.361 | 47% | 0.473 | S | S | . | . | B | Isolated β-bridge | trans | -58.6 | 137.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R416 N417 | R416-G424 CarbonylContact O-C 3.56Å; R416-G424 WeakPolarHBondContact O-CA 3.46Å; N417-G424 WeakPolarHBondContact OD1-CA 3.27Å |
| 425 | I | 95.1 | Very high | 90.7 | Very high | 10 Ų | 10 | 94.5 Ų | 94.5 | 5% | 0.051 | 46% | 0.462 | C | S | . | . | trans | -91.2 | 115.7 | -179.2 | -56.7 | 165.4 | 0 | 0 | 0 | 108 | L392 L408 M409 R416 T428 | L392-I425 HydrophobicContact CB-CG1 4.47Å; L392-I425 HydrophobicContact CD1-CD1 3.9Å; L392-I425 HydrophobicContact CD1-CG1 4.28Å; L392-I425 HydrophobicContact CD2-CD1 4.15Å; L392-I425 HydrophobicContact CD2-CG2 4.24Å; L408-I425 HydrophobicContact CD2-CD1 3.45Å; L408-I425 VanDerWaalsContact CD2-CD1 3.45Å; L408-I425 HydrophobicContact CG-CD1 4.4Å; M409-I425 HydrophobicContact SD-CG2 4.23Å; R416-I425 HydrophobicContact CB-CB 4.42Å; R416-I425 PolarHBondContact O-N 3.01Å; I425-T428 HydrophobicContact CG2-CG2 3.77Å | ||
| 426 | L | 90.6 | Very high | 90.9 | Very high | 137 Ų | 137 | 93.5 Ų | 93.5 | 72% | 0.717 | 46% | 0.459 | S | S | * | . | trans | -93 | -40.3 | 177.1 | -60.7 | 179.8 | 0 | 0 | 0 | 111.4 | L393 | L393-L426 PolarHBondContact O-N 2.87Š| ||
| 427 | Q | 90.4 | Very high | 90.8 | Very high | 129 Ų | 129 | 95.3 Ų | 95.3 | 60% | 0.603 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 154.4 | -176.7 | -67.1 | 176.6 | -12.3 | 0 | 0 | 110 | L393 | L393-Q427 HydrophobicContact CB-CB 4.1Å; L393-Q427 WeakPolarHBondContact CB-O 3.41Å; L393-Q427 HydrophobicContact CD1-CB 4.04Å; L393-Q427 PolarHBondContact N-O 2.88Å |
| 428 | T | 94.6 | Very high | 90.6 | Very high | 54 Ų | 54 | 97 Ų | 97 | 33% | 0.331 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 136.3 | 177.8 | 55.5 | 0 | 0 | 0 | 0 | 109.4 | V390 L392 T405 M409 I425 | V390-T428 HydrophobicContact CG1-CG2 4.4Å; L392-T428 HydrophobicContact CD2-CG2 3.82Å; T405-T428 HydrophobicContact CG2-CG2 3.81Å; M409-T428 HydrophobicContact CE-CG2 4.22Å; M409-T428 HydrophobicContact SD-CG2 4.24Å; I425-T428 HydrophobicContact CG2-CG2 3.77Å |
| 429 | L | 94.6 | Very high | 90.3 | Very high | 93 Ų | 93 | 103.4 Ų | 103.4 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 125.7 | 177.9 | -175.7 | 91 | 0 | 0 | 0 | 109.2 | V390 L391 V431 | V390-L429 WeakPolarHBondContact CA-O 3.37Å; L391-L429 HydrophobicContact CB-CB 4.32Å; L391-L429 HydrophobicContact CD2-CD2 4.44Å; L391-L429 PolarHBondContact N-O 3.33Å; L391-L429 PolarHBondContact O-N 3.35Å; L429-V431 HydrophobicContact CD2-CG1 4.36Å |
| 430 | N | 93.1 | Very high | 90 | Very high | 74 Ų | 74 | 106.8 Ų | 106.8 | 40% | 0.396 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 133 | 173 | -66.2 | -22.3 | 0 | 0 | 0 | 109.8 | T389 V390 | T389-N430 WeakPolarHBondContact O-CA 3.29Å; V390-N430 WeakPolarHBondContact CG2-OD1 3.44Å |
| 431 | V | 89.9 | Confident | 89.7 | Confident | 45 Ų | 45 | 107.4 Ų | 107.4 | 27% | 0.273 | 52% | 0.521 | S | S | . | . | trans | -119.1 | 129 | 175.3 | -88.2 | 0 | 0 | 0 | 0 | 108.9 | T389 L398 L429 | T389-V431 VanDerWaalsContact O-CG2 3.3Å; T389-V431 WeakPolarHBondContact O-CG2 3.28Å; T389-V431 PolarHBondContact O-N 3.21Å; L398-V431 HydrophobicContact CD1-CG2 3.59Å; L398-V431 HydrophobicContact CD2-CG2 4.41Å; L429-V431 HydrophobicContact CD2-CG1 4.36Å | ||
| 432 | Y | 79.7 | Confident | 89.3 | Confident | 216 Ų | 216 | 112 Ų | 112 | 85% | 0.847 | 54% | 0.535 | S | S | * | . | trans | -91.8 | 121.2 | 173.6 | -58.6 | -83.2 | 0 | 0 | 0 | 107.3 | ||||
| 433 | L | 63.2 | Low | 88.9 | Confident | 185 Ų | 185 | 103.4 Ų | 103.4 | 97% | 0.969 | 51% | 0.512 | S | S | * | . | trans | -98.5 | 0 | -179.3 | -74 | 174.8 | 0 | 0 | 0 | 111.4 | K388 | K388-L433 WeakPolarHBondContact O-CD1 3.23Š|
Retrieved 433 of 433 residues in 122.1 ms
(Link to these results)