| 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 | L | 38.3 | Very low | 47.5 | Very low | 222 Ų | 222 | 125.9 Ų | 125.9 | 100% | 1.162 | 71% | 0.705 | S | S | * | * | 0 | 95.8 | 0 | -95.7 | 75.4 | 0 | 0 | 0 | 108.5 | |||||
| 2 | H | 47.2 | Very low | 47.8 | Very low | 191 Ų | 191 | 128.9 Ų | 128.9 | 88% | 0.884 | 70% | 0.7 | S | S | * | * | trans | -162.5 | 155.3 | 153.9 | -118.6 | -93.5 | 0 | 0 | 0 | 107.1 | ||||
| 3 | V | 45.8 | Very low | 48.4 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 72% | 0.721 | 70% | 0.699 | S | S | * | * | trans | 98.6 | 80.6 | 179.4 | -164.5 | 0 | 0 | 0 | 0 | 114 | D5 | V3-D5 HydrophobicContact CG1-CB 3.77Š| ||
| 4 | C | 49.8 | Very low | 48.8 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 93% | 0.926 | 69% | 0.688 | S | S | * | * | trans | -69.3 | 110.7 | 132.8 | -72.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 5 | D | 39.8 | Very low | 49.1 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 65% | 0.647 | 68% | 0.682 | S | S | * | * | trans | -152 | 123 | 154.5 | -164.3 | -105.6 | 0 | 0 | 0 | 111.2 | V3 | V3-D5 HydrophobicContact CG1-CB 3.77Š| ||
| 6 | S | 44 | Very low | 49.3 | Very low | 65 Ų | 65 | 128.6 Ų | 128.6 | 46% | 0.455 | 68% | 0.684 | S | S | . | * | trans | 60.4 | 101.6 | 155.1 | -151.8 | 0 | 0 | 0 | 0 | 118.3 | R8 N9 | S6-R8 PolarHBondContact O-N 2.73Å; S6-N9 PolarHBondContact O-N 3.15Å; S6-N9 VanDerWaalsContact O-N 3.15Å | ||
| 7 | G | 51 | Low | 49.7 | Very low | 70 Ų | 70 | 124.5 Ų | 124.5 | 72% | 0.722 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | 16.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 8 | R | 50.8 | Low | 50.1 | Low | 196 Ų | 196 | 122.2 Ų | 122.2 | 74% | 0.74 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -28.6 | 168.5 | -147.1 | -179.8 | -40.8 | -90.1 | -6.5 | 112.3 | S6 | S6-R8 PolarHBondContact O-N 2.73Š|
| 9 | N | 47.1 | Very low | 50.5 | Low | 90 Ų | 90 | 119.5 Ų | 119.5 | 48% | 0.481 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -81.2 | -24.9 | 179.8 | -85.9 | -43.7 | 0 | 0 | 0 | 113.5 | S6 S11 Y12 F13 | S6-N9 PolarHBondContact O-N 3.15Å; S6-N9 VanDerWaalsContact O-N 3.15Å; N9-S11 VanDerWaalsContact C-N 3.26Å; N9-S11 PolarHBondContact O-N 3.46Å; N9-Y12 PolarHBondContact O-N 3.14Å; N9-Y12 VanDerWaalsContact O-N 3.13Å; N9-F13 WeakPolarHBondContact O-CD2 3.38Å; N9-F13 PolarHBondContact O-N 2.99Å |
| 10 | I | 55 | Low | 50.9 | Low | 104 Ų | 104 | 118 Ų | 118 | 53% | 0.533 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -61.3 | -37 | -179.8 | -62.5 | 171.9 | 0 | 0 | 0 | 111 | Y12 F13 L14 | I10-Y12 PolarHBondContact O-N 3.32Å; I10-F13 PolarHBondContact O-N 2.78Å; I10-L14 HydrophobicContact CG2-CD1 3.9Å; I10-L14 HydrophobicContact CG2-CG 4.41Å; I10-L14 WeakPolarHBondContact O-CB 3.41Å; I10-L14 VanDerWaalsContact O-CG 3.28Å; I10-L14 WeakPolarHBondContact O-CG 3.41Å; I10-L14 PolarHBondContact O-N 3.01Å |
| 11 | S | 54 | Low | 50.9 | Low | 70 Ų | 70 | 117.6 Ų | 117.6 | 49% | 0.49 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -64.1 | -38.8 | 176.6 | -169.4 | 0 | 0 | 0 | 0 | 112.5 | N9 L15 | N9-S11 VanDerWaalsContact C-N 3.26Å; N9-S11 PolarHBondContact O-N 3.46Å; S11-L15 WeakPolarHBondContact O-CD1 3.28Å; S11-L15 VanDerWaalsContact O-CG 3.31Å; S11-L15 WeakPolarHBondContact O-CG 3.31Å; S11-L15 PolarHBondContact O-N 3.13Å; S11-L15 VanDerWaalsContact O-N 3.14Å |
| 12 | Y | 50.4 | Low | 51.5 | Low | 162 Ų | 162 | 113.1 Ų | 113.1 | 64% | 0.635 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -73.9 | -36.3 | 178.5 | -78.1 | -82.2 | 0 | 0 | 0 | 112.1 | N9 I10 L15 L16 | N9-Y12 PolarHBondContact O-N 3.14Å; N9-Y12 VanDerWaalsContact O-N 3.13Å; I10-Y12 PolarHBondContact O-N 3.32Å; Y12-L15 PolarHBondContact O-N 3.39Å; Y12-L16 PolarHBondContact O-N 3.15Å; Y12-L16 VanDerWaalsContact O-N 3.15Å |
| 13 | F | 56.3 | Low | 51.7 | Low | 157 Ų | 157 | 108.9 Ų | 108.9 | 69% | 0.689 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.1 | -36.3 | 173.8 | -93.1 | -87.2 | 0 | 0 | 0 | 112.9 | N9 I10 S17 | N9-F13 WeakPolarHBondContact O-CD2 3.38Å; N9-F13 PolarHBondContact O-N 2.99Å; I10-F13 PolarHBondContact O-N 2.78Å; F13-S17 WeakPolarHBondContact O-CB 3.49Å; F13-S17 PolarHBondContact O-N 3.19Å; F13-S17 PolarHBondContact O-OG 3.4Å |
| 14 | L | 53.2 | Low | 52 | Low | 104 Ų | 104 | 107.6 Ų | 107.6 | 55% | 0.545 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.6 | -40.3 | 174.1 | -71.5 | 167.5 | 0 | 0 | 0 | 111.6 | I10 L16 S17 V18 | I10-L14 HydrophobicContact CG2-CD1 3.9Å; I10-L14 HydrophobicContact CG2-CG 4.41Å; I10-L14 WeakPolarHBondContact O-CB 3.41Å; I10-L14 VanDerWaalsContact O-CG 3.28Å; I10-L14 WeakPolarHBondContact O-CG 3.41Å; I10-L14 PolarHBondContact O-N 3.01Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 3.38Å; L14-S17 WeakPolarHBondContact CA-OG 3.44Å; L14-S17 PolarHBondContact O-N 3.24Å; L14-S17 PolarHBondContact O-OG 3.46Å; L14-V18 VanDerWaalsContact O-CG2 3.22Å; L14-V18 WeakPolarHBondContact O-CG2 3.5Å; L14-V18 PolarHBondContact O-N 3.37Å |
| 15 | L | 53.2 | Low | 52 | Low | 115 Ų | 115 | 106.3 Ų | 106.3 | 60% | 0.602 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.6 | -31.2 | 177.6 | -76.1 | 162 | 0 | 0 | 0 | 113.4 | S11 Y12 P19 | S11-L15 WeakPolarHBondContact O-CD1 3.28Å; S11-L15 VanDerWaalsContact O-CG 3.31Å; S11-L15 WeakPolarHBondContact O-CG 3.31Å; S11-L15 PolarHBondContact O-N 3.13Å; S11-L15 VanDerWaalsContact O-N 3.14Å; Y12-L15 PolarHBondContact O-N 3.39Å; L15-P19 WeakPolarHBondContact O-CD 3.22Å |
| 16 | L | 52.6 | Low | 52.4 | Low | 135 Ų | 135 | 104.9 Ų | 104.9 | 71% | 0.707 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -82.5 | -27 | 177.3 | -122.2 | 95.8 | 0 | 0 | 0 | 113.7 | Y12 L14 P19 V20 | Y12-L16 PolarHBondContact O-N 3.15Å; Y12-L16 VanDerWaalsContact O-N 3.15Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 3.38Å; L16-P19 WeakPolarHBondContact O-CD 3.15Å; L16-V20 WeakPolarHBondContact O-CG2 3.23Å |
| 17 | S | 55.8 | Low | 52.6 | Low | 58 Ų | 58 | 103.1 Ų | 103.1 | 41% | 0.406 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -86.5 | -29.9 | -175.5 | 50.3 | 0 | 0 | 0 | 0 | 113.6 | F13 L14 V20 L21 | F13-S17 WeakPolarHBondContact O-CB 3.49Å; F13-S17 PolarHBondContact O-N 3.19Å; F13-S17 PolarHBondContact O-OG 3.4Å; L14-S17 WeakPolarHBondContact CA-OG 3.44Å; L14-S17 PolarHBondContact O-N 3.24Å; L14-S17 PolarHBondContact O-OG 3.46Å; S17-V20 PolarHBondContact O-N 3.17Å; S17-L21 WeakPolarHBondContact O-CB 3.41Å; S17-L21 PolarHBondContact O-N 3.35Å |
| 18 | V | 58.3 | Low | 52.6 | Low | 83 Ų | 83 | 102.4 Ų | 102.4 | 50% | 0.503 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.6 | -47.4 | 176.8 | 175.6 | 0 | 0 | 0 | 0 | 113.1 | L14 V20 L21 Q22 | L14-V18 VanDerWaalsContact O-CG2 3.22Å; L14-V18 WeakPolarHBondContact O-CG2 3.5Å; L14-V18 PolarHBondContact O-N 3.37Å; V18-V20 VanDerWaalsContact C-N 3.35Å; V18-V20 PolarHBondContact O-N 3.1Å; V18-L21 PolarHBondContact O-N 2.95Å; V18-Q22 VanDerWaalsContact O-CG 3.23Å; V18-Q22 WeakPolarHBondContact O-CG 3.42Å; V18-Q22 PolarHBondContact O-N 3.39Å; V18-Q22 VanDerWaalsContact O-N 3.1Å |
| 19 | P | 57.2 | Low | 52.6 | Low | 71 Ų | 71 | 95.5 Ų | 95.5 | 46% | 0.461 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.1 | -32.3 | 179.2 | 26.2 | -33.7 | 0 | 0 | 0 | 112.9 | L15 L16 Q22 T23 | L15-P19 WeakPolarHBondContact O-CD 3.22Å; L16-P19 WeakPolarHBondContact O-CD 3.15Å; P19-Q22 PolarHBondContact O-N 2.92Å; P19-T23 PolarHBondContact O-N 3.43Å; P19-T23 VanDerWaalsContact O-N 3.14Å; P19-T23 PolarHBondContact O-OG1 3.14Å |
| 20 | V | 57.6 | Low | 53 | Low | 90 Ų | 90 | 96.2 Ų | 96.2 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.3 | -37.7 | 175.9 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | L16 S17 V18 Q22 T23 V24 | L16-V20 WeakPolarHBondContact O-CG2 3.23Å; S17-V20 PolarHBondContact O-N 3.17Å; V18-V20 VanDerWaalsContact C-N 3.35Å; V18-V20 PolarHBondContact O-N 3.1Å; V20-Q22 VanDerWaalsContact C-N 3.35Å; V20-T23 WeakPolarHBondContact CA-OG1 3.15Å; V20-T23 PolarHBondContact O-OG1 2.93Å; V20-V24 WeakPolarHBondContact O-CG2 3.35Å; V20-V24 PolarHBondContact O-N 3.35Å |
| 21 | L | 52.1 | Low | 53.3 | Low | 109 Ų | 109 | 92.3 Ų | 92.3 | 57% | 0.571 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.9 | -35.4 | 176.9 | -163.2 | 64.9 | 0 | 0 | 0 | 111.2 | S17 V18 V24 L25 | S17-L21 WeakPolarHBondContact O-CB 3.41Å; S17-L21 PolarHBondContact O-N 3.35Å; V18-L21 PolarHBondContact O-N 2.95Å; L21-V24 PolarHBondContact O-N 2.93Å; L21-L25 HydrophobicContact CD1-CD1 4.07Å; L21-L25 HydrophobicContact CG-CD1 3.71Å; L21-L25 WeakPolarHBondContact O-CD1 3.37Å; L21-L25 PolarHBondContact O-N 3.21Å |
| 22 | Q | 50.3 | Low | 53.4 | Low | 129 Ų | 129 | 94.6 Ų | 94.6 | 60% | 0.603 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.3 | -38.5 | 176.3 | -63.8 | -131 | 74.3 | 0 | 0 | 112.8 | V18 P19 V20 V24 L25 V26 | V18-Q22 VanDerWaalsContact O-CG 3.23Å; V18-Q22 WeakPolarHBondContact O-CG 3.42Å; V18-Q22 PolarHBondContact O-N 3.39Å; V18-Q22 VanDerWaalsContact O-N 3.1Å; P19-Q22 PolarHBondContact O-N 2.92Å; V20-Q22 VanDerWaalsContact C-N 3.35Å; Q22-V24 VanDerWaalsContact C-N 3.34Å; Q22-L25 PolarHBondContact O-N 3.4Å; Q22-V26 WeakPolarHBondContact O-CB 3.49Å; Q22-V26 VanDerWaalsContact O-CG2 3.28Å; Q22-V26 WeakPolarHBondContact O-CG2 3.28Å; Q22-V26 PolarHBondContact O-N 3.19Å |
| 23 | T | 52.3 | Low | 54.2 | Low | 101 Ų | 101 | 90.3 Ų | 90.3 | 62% | 0.62 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67 | -35.1 | 174.1 | 41.2 | 0 | 0 | 0 | 0 | 112.4 | P19 V20 G27 | P19-T23 PolarHBondContact O-N 3.43Å; P19-T23 VanDerWaalsContact O-N 3.14Å; P19-T23 PolarHBondContact O-OG1 3.14Å; V20-T23 WeakPolarHBondContact CA-OG1 3.15Å; V20-T23 PolarHBondContact O-OG1 2.93Å; T23-G27 PolarHBondContact O-N 2.92Å; T23-G27 VanDerWaalsContact O-N 3.14Å |
| 24 | V | 50.6 | Low | 54.9 | Low | 93 Ų | 93 | 83.2 Ų | 83.2 | 56% | 0.564 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.8 | -41 | 174.2 | 171.6 | 0 | 0 | 0 | 0 | 112.1 | V20 L21 Q22 A28 | V20-V24 WeakPolarHBondContact O-CG2 3.35Å; V20-V24 PolarHBondContact O-N 3.35Å; L21-V24 PolarHBondContact O-N 2.93Å; Q22-V24 VanDerWaalsContact C-N 3.34Å; V24-A28 WeakPolarHBondContact O-CB 3.46Å; V24-A28 PolarHBondContact O-N 3.42Å |
| 25 | L | 49.9 | Very low | 55.8 | Low | 110 Ų | 110 | 85.1 Ų | 85.1 | 58% | 0.576 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -72.5 | -36 | 178 | -92.1 | 102.1 | 0 | 0 | 0 | 113.3 | L21 Q22 G27 A28 G29 | L21-L25 HydrophobicContact CD1-CD1 4.07Å; L21-L25 HydrophobicContact CG-CD1 3.71Å; L21-L25 WeakPolarHBondContact O-CD1 3.37Å; L21-L25 PolarHBondContact O-N 3.21Å; Q22-L25 PolarHBondContact O-N 3.4Å; L25-G27 VanDerWaalsContact C-N 3.35Å; L25-A28 PolarHBondContact O-N 3.19Å; L25-G29 PolarHBondContact O-N 3.46Å |
| 26 | V | 49.2 | Very low | 57 | Low | 91 Ų | 91 | 86.7 Ų | 86.7 | 55% | 0.552 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.6 | -40.5 | 174.7 | 167.2 | 0 | 0 | 0 | 0 | 110.5 | Q22 A28 G29 E30 | Q22-V26 WeakPolarHBondContact O-CB 3.49Å; Q22-V26 VanDerWaalsContact O-CG2 3.28Å; Q22-V26 WeakPolarHBondContact O-CG2 3.28Å; Q22-V26 PolarHBondContact O-N 3.19Å; V26-A28 VanDerWaalsContact C-N 3.3Å; V26-A28 PolarHBondContact O-N 3.04Å; V26-G29 PolarHBondContact O-N 3.14Å; V26-E30 PolarHBondContact O-N 3.36Å |
| 27 | G | 48.8 | Very low | 58.5 | Low | 27 Ų | 27 | 81.1 Ų | 81.1 | 28% | 0.278 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65 | -30.3 | 171 | 0 | 0 | 0 | 0 | 0 | 113.9 | T23 L25 C31 | T23-G27 PolarHBondContact O-N 2.92Å; T23-G27 VanDerWaalsContact O-N 3.14Å; L25-G27 VanDerWaalsContact C-N 3.35Å; G27-C31 PolarHBondContact O-SG 3.48Å |
| 28 | A | 49.9 | Very low | 59.8 | Low | 56 Ų | 56 | 80.7 Ų | 80.7 | 46% | 0.463 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -75.7 | -34.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | V24 L25 V26 C31 D32 | V24-A28 WeakPolarHBondContact O-CB 3.46Å; V24-A28 PolarHBondContact O-N 3.42Å; L25-A28 PolarHBondContact O-N 3.19Å; V26-A28 VanDerWaalsContact C-N 3.3Å; V26-A28 PolarHBondContact O-N 3.04Å; A28-C31 PolarHBondContact O-N 3.46Å; A28-D32 PolarHBondContact O-N 2.04Å |
| 29 | G | 50.9 | Low | 61 | Low | 50 Ų | 50 | 79.4 Ų | 79.4 | 52% | 0.515 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.5 | -35.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | L25 V26 | L25-G29 PolarHBondContact O-N 3.46Å; V26-G29 PolarHBondContact O-N 3.14Å |
| 30 | E | 54.7 | Low | 62.6 | Low | 106 Ų | 106 | 80.4 Ų | 80.4 | 50% | 0.495 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70.6 | -37.7 | 173.8 | -108.5 | 162.2 | 93.6 | 0 | 0 | 111.7 | V26 S33 | V26-E30 PolarHBondContact O-N 3.36Å; E30-S33 PolarHBondContact O-N 3.07Å; E30-S33 PolarHBondContact O-OG 2.67Å |
| 31 | C | 61.4 | Low | 64.1 | Low | 22 Ų | 22 | 76.3 Ų | 76.3 | 15% | 0.149 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -82.1 | -15 | 179.6 | -55.1 | 0 | 0 | 0 | 0 | 114 | G27 A28 S33 V34 F35 C83 | G27-C31 PolarHBondContact O-SG 3.48Å; A28-C31 PolarHBondContact O-N 3.46Å; C31-S33 PolarHBondContact O-N 3.39Å; C31-V34 WeakPolarHBondContact O-CB 3.34Å; C31-V34 PolarHBondContact O-N 3.38Å; C31-F35 VanDerWaalsContact O-CD2 3.31Å; C31-F35 WeakPolarHBondContact O-CD2 3.36Å; C31-F35 PolarHBondContact O-N 3.25Å; C31-C83 HydrophobicContact CB-CB 4.04Å; C31-C83 WeakPolarHBondContact CB-SG 3.18Å; C31-C83 WeakPolarHBondContact SG-CB 3.14Å; C31-C83 CovalentContact SG-SG 2.04Å; C31-C83 PolarHBondContact SG-SG 2.94Å |
| 32 | D | 57.9 | Low | 65.9 | Low | 117 Ų | 117 | 74.8 Ų | 74.8 | 63% | 0.626 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.1 | -33.7 | 169.8 | -153.6 | 55.9 | 0 | 0 | 0 | 111 | A28 V34 K36 | A28-D32 PolarHBondContact O-N 2.04Å; D32-V34 VanDerWaalsContact C-N 3.32Å; D32-V34 PolarHBondContact O-N 3.25Å; D32-K36 PolarHBondContact O-N 3.23Å |
| 33 | S | 66.2 | Low | 67.9 | Low | 72 Ų | 72 | 74.2 Ų | 74.2 | 50% | 0.503 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.5 | -29 | 172.9 | 81.5 | 0 | 0 | 0 | 0 | 113.1 | E30 C31 K36 G37 | E30-S33 PolarHBondContact O-N 3.07Å; E30-S33 PolarHBondContact O-OG 2.67Å; C31-S33 PolarHBondContact O-N 3.39Å; S33-K36 PolarHBondContact O-N 3.22Å; S33-G37 PolarHBondContact O-N 3.48Å |
| 34 | V | 71.1 | Confident | 69.9 | Low | 8 Ų | 8 | 75.6 Ų | 75.6 | 5% | 0.048 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -71.1 | -44.7 | 177.9 | 166.2 | 0 | 0 | 0 | 0 | 111.6 | C31 D32 K36 G37 F38 A79 L80 C83 | C31-V34 WeakPolarHBondContact O-CB 3.34Å; C31-V34 PolarHBondContact O-N 3.38Å; D32-V34 VanDerWaalsContact C-N 3.32Å; D32-V34 PolarHBondContact O-N 3.25Å; V34-K36 VanDerWaalsContact C-N 3.29Å; V34-K36 PolarHBondContact O-N 2.93Å; V34-G37 PolarHBondContact O-N 2.94Å; V34-F38 WeakPolarHBondContact O-CB 3.31Å; V34-F38 PolarHBondContact O-N 2.73Å; V34-A79 VanDerWaalsContact CG1-O 3.27Å; V34-A79 WeakPolarHBondContact CG1-O 3.5Å; V34-A79 WeakPolarHBondContact CG2-O 3.46Å; V34-L80 HydrophobicContact CG1-CD2 3.61Å; V34-L80 HydrophobicContact CG1-CG 4.27Å; V34-C83 HydrophobicContact CB-CB 4.24Å; V34-C83 HydrophobicContact CG1-CB 4.45Å; V34-C83 HydrophobicContact CG2-CB 3.46Å; V34-C83 VanDerWaalsContact CG2-CB 3.46Å |
| 35 | F | 71.5 | Confident | 71.8 | Confident | 145 Ų | 145 | 72.4 Ų | 72.4 | 64% | 0.636 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.5 | -39.7 | 174.1 | -74.5 | -72.1 | 0 | 0 | 0 | 111.8 | C31 S39 | C31-F35 VanDerWaalsContact O-CD2 3.31Å; C31-F35 WeakPolarHBondContact O-CD2 3.36Å; C31-F35 PolarHBondContact O-N 3.25Å; F35-S39 WeakPolarHBondContact O-CB 3.12Å; F35-S39 PolarHBondContact O-N 2.8Å; F35-S39 PolarHBondContact O-OG 3.42Å |
| 36 | K | 79.1 | Confident | 73.6 | Confident | 147 Ų | 147 | 69.1 Ų | 69.1 | 64% | 0.639 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.2 | -44.9 | 173.2 | -174.2 | 178.4 | 179.7 | -179.5 | 0 | 111.7 | D32 S33 V34 S39 N40 | D32-K36 PolarHBondContact O-N 3.23Å; S33-K36 PolarHBondContact O-N 3.22Å; V34-K36 VanDerWaalsContact C-N 3.29Å; V34-K36 PolarHBondContact O-N 2.93Å; K36-S39 PolarHBondContact O-N 3.43Å; K36-N40 WeakPolarHBondContact O-CB 3.27Å; K36-N40 VanDerWaalsContact O-CG 3.27Å; K36-N40 PolarHBondContact O-N 3.32Å; K36-N40 PolarHBondContact O-ND2 3.42Å |
| 37 | G | 83.3 | Confident | 75.7 | Confident | 19 Ų | 19 | 69.4 Ų | 69.4 | 20% | 0.196 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.4 | -49.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S33 V34 S39 N40 C41 | S33-G37 PolarHBondContact O-N 3.48Å; V34-G37 PolarHBondContact O-N 2.94Å; G37-S39 VanDerWaalsContact C-N 3.34Å; G37-S39 PolarHBondContact O-N 3.14Å; G37-N40 WeakPolarHBondContact O-CB 3.33Å; G37-N40 PolarHBondContact O-N 2.99Å; G37-C41 PolarHBondContact O-N 3.01Å; G37-C41 PolarHBondContact O-SG 2.82Å |
| 38 | F | 83.6 | Confident | 77.6 | Confident | 49 Ų | 49 | 69.7 Ų | 69.7 | 22% | 0.215 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 176.7 | 179.7 | -105.5 | 0 | 0 | 0 | 112.1 | V34 N40 C41 L42 F72 A76 L80 W91 | V34-F38 WeakPolarHBondContact O-CB 3.31Å; V34-F38 PolarHBondContact O-N 2.73Å; F38-N40 VanDerWaalsContact C-N 3.35Å; F38-N40 PolarHBondContact O-N 3.44Å; F38-C41 WeakPolarHBondContact O-CB 3.33Å; F38-C41 PolarHBondContact O-N 3.48Å; F38-C41 VanDerWaalsContact O-N 3.16Å; F38-L42 HydrophobicContact CD1-CD1 3.95Å; F38-L42 HydrophobicContact CD1-CG 4.49Å; F38-L42 HydrophobicContact CE1-CD1 3.45Å; F38-L42 VanDerWaalsContact CE1-CD1 3.45Å; F38-L42 HydrophobicContact CE1-CG 4.08Å; F38-L42 HydrophobicContact CZ-CD1 3.99Å; F38-L42 HydrophobicContact CZ-CD2 4.4Å; F38-L42 HydrophobicContact CZ-CG 4.2Å; F38-L42 PolarHBondContact O-N 3.43Å; F38-F72 HydrophobicContact CE2-CE2 4.38Å; F38-F72 HydrophobicContact CE2-CZ 4.11Å; F38-F72 HydrophobicContact CZ-CZ 4.46Å; F38-A76 HydrophobicContact CD2-CB 3.84Å; F38-A76 HydrophobicContact CE2-CB 3.88Å; F38-L80 HydrophobicContact CD2-CD1 3.85Å; F38-L80 HydrophobicContact CE2-CD1 4.24Å; F38-W91 AromaticContact CE2-CH2 3.87Å; F38-W91 HydrophobicContact CE2-CH2 3.87Å; F38-W91 HydrophobicContact CE2-CZ3 4.13Å |
| 39 | S | 83.9 | Confident | 79.3 | Confident | 55 Ų | 55 | 71 Ų | 71 | 39% | 0.385 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.8 | -39.4 | 176.9 | -63.1 | 0 | 0 | 0 | 0 | 111.8 | F35 K36 G37 C41 L42 I43 | F35-S39 WeakPolarHBondContact O-CB 3.12Å; F35-S39 PolarHBondContact O-N 2.8Å; F35-S39 PolarHBondContact O-OG 3.42Å; K36-S39 PolarHBondContact O-N 3.43Å; G37-S39 VanDerWaalsContact C-N 3.34Å; G37-S39 PolarHBondContact O-N 3.14Å; S39-C41 VanDerWaalsContact C-N 3.34Å; S39-C41 PolarHBondContact O-N 3.22Å; S39-L42 PolarHBondContact O-N 3.41Å; S39-I43 WeakPolarHBondContact O-CG1 3.45Å; S39-I43 PolarHBondContact O-N 3.08Å |
| 40 | N | 90 | Very high | 81.1 | Confident | 93 Ų | 93 | 72.4 Ų | 72.4 | 50% | 0.497 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 172.2 | -74 | -26.1 | 0 | 0 | 0 | 112.1 | K36 G37 F38 L42 I43 R44 | K36-N40 WeakPolarHBondContact O-CB 3.27Å; K36-N40 VanDerWaalsContact O-CG 3.27Å; K36-N40 PolarHBondContact O-N 3.32Å; K36-N40 PolarHBondContact O-ND2 3.42Å; G37-N40 WeakPolarHBondContact O-CB 3.33Å; G37-N40 PolarHBondContact O-N 2.99Å; F38-N40 VanDerWaalsContact C-N 3.35Å; F38-N40 PolarHBondContact O-N 3.44Å; N40-L42 VanDerWaalsContact C-N 3.34Å; N40-L42 PolarHBondContact O-N 3.49Å; N40-I43 PolarHBondContact O-N 3.49Å; N40-R44 WeakPolarHBondContact O-CB 3.19Å; N40-R44 PolarHBondContact O-N 3.16Å |
| 41 | C | 89.7 | Confident | 82.7 | Confident | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.02 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61 | -42.6 | 174.2 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | G37 F38 S39 R44 L45 F72 C75 | G37-C41 PolarHBondContact O-N 3.01Å; G37-C41 PolarHBondContact O-SG 2.82Å; F38-C41 WeakPolarHBondContact O-CB 3.33Å; F38-C41 PolarHBondContact O-N 3.48Å; F38-C41 VanDerWaalsContact O-N 3.16Å; S39-C41 VanDerWaalsContact C-N 3.34Å; S39-C41 PolarHBondContact O-N 3.22Å; C41-R44 PolarHBondContact O-N 2.94Å; C41-L45 PolarHBondContact O-N 3.4Å; C41-L45 VanDerWaalsContact O-N 3.09Å; C41-F72 HydrophobicContact CB-CD2 4Å; C41-F72 HydrophobicContact CB-CE2 4.15Å; C41-C75 HydrophobicContact CB-CB 3.82Å; C41-C75 WeakPolarHBondContact CB-SG 3.43Å; C41-C75 WeakPolarHBondContact SG-CB 3.39Å; C41-C75 PolarHBondContact SG-O 3.25Å; C41-C75 CovalentContact SG-SG 2.04Å; C41-C75 PolarHBondContact SG-SG 2.97Å |
| 42 | L | 90.7 | Very high | 83.9 | Confident | 78 Ų | 78 | 73.3 Ų | 73.3 | 41% | 0.408 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.6 | -46 | 176.7 | -74.8 | 173.5 | 0 | 0 | 0 | 112.6 | F38 S39 N40 R44 L45 G46 F72 | F38-L42 HydrophobicContact CD1-CD1 3.95Å; F38-L42 HydrophobicContact CD1-CG 4.49Å; F38-L42 HydrophobicContact CE1-CD1 3.45Å; F38-L42 VanDerWaalsContact CE1-CD1 3.45Å; F38-L42 HydrophobicContact CE1-CG 4.08Å; F38-L42 HydrophobicContact CZ-CD1 3.99Å; F38-L42 HydrophobicContact CZ-CD2 4.4Å; F38-L42 HydrophobicContact CZ-CG 4.2Å; F38-L42 PolarHBondContact O-N 3.43Å; S39-L42 PolarHBondContact O-N 3.41Å; N40-L42 VanDerWaalsContact C-N 3.34Å; N40-L42 PolarHBondContact O-N 3.49Å; L42-R44 VanDerWaalsContact C-N 3.3Å; L42-R44 PolarHBondContact O-N 3.43Å; L42-L45 PolarHBondContact O-N 2.85Å; L42-G46 PolarHBondContact O-N 2.87Å; L42-F72 HydrophobicContact CD2-CD2 4.45Å; L42-F72 HydrophobicContact CD2-CE2 3.47Å; L42-F72 VanDerWaalsContact CD2-CE2 3.47Å; L42-F72 HydrophobicContact CD2-CZ 3.72Å; L42-F72 HydrophobicContact CG-CE2 3.93Å; L42-F72 HydrophobicContact CG-CZ 4.49Å |
| 43 | I | 92.3 | Very high | 85.3 | Confident | 116 Ų | 116 | 69.3 Ų | 69.3 | 60% | 0.595 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.3 | -43.9 | 178.3 | -69.6 | 168 | 0 | 0 | 0 | 110.1 | S39 N40 L45 G46 D47 | S39-I43 WeakPolarHBondContact O-CG1 3.45Å; S39-I43 PolarHBondContact O-N 3.08Å; N40-I43 PolarHBondContact O-N 3.49Å; I43-L45 PolarHBondContact O-N 3.47Å; I43-G46 PolarHBondContact O-N 3.41Å; I43-D47 PolarHBondContact O-N 2.04Å |
| 44 | R | 92.4 | Very high | 86 | Confident | 130 Ų | 130 | 74.1 Ų | 74.1 | 49% | 0.491 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 177.9 | -177.1 | 176 | 172.8 | -148.6 | -11.1 | 112.4 | N40 C41 L42 G46 D47 E48 | N40-R44 WeakPolarHBondContact O-CB 3.19Å; N40-R44 PolarHBondContact O-N 3.16Å; C41-R44 PolarHBondContact O-N 2.94Å; L42-R44 VanDerWaalsContact C-N 3.3Å; L42-R44 PolarHBondContact O-N 3.43Å; R44-G46 VanDerWaalsContact C-N 3.3Å; R44-G46 PolarHBondContact O-N 3.49Å; R44-D47 PolarHBondContact O-N 3.48Å; R44-E48 IonicContact CZ-OE1 3.33Å; R44-E48 IonicContact NE-OE1 3.1Å; R44-E48 PolarHBondContact NE-OE1 3.18Å; R44-E48 VanDerWaalsContact NE-OE1 3.1Å; R44-E48 IonicContact NH2-OE1 2.84Å; R44-E48 PolarHBondContact NH2-OE1 3.43Å; R44-E48 WeakPolarHBondContact O-CG 3.36Å; R44-E48 PolarHBondContact O-N 3.01Å |
| 45 | L | 91 | Very high | 86.5 | Confident | 27 Ų | 27 | 80.6 Ų | 80.6 | 14% | 0.141 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 174.5 | 178.1 | 63.8 | 0 | 0 | 0 | 111.1 | C41 L42 I43 D47 E48 M49 W69 F72 | C41-L45 PolarHBondContact O-N 3.4Å; C41-L45 VanDerWaalsContact O-N 3.09Å; L42-L45 PolarHBondContact O-N 2.85Å; I43-L45 PolarHBondContact O-N 3.47Å; L45-D47 VanDerWaalsContact C-N 3.32Å; L45-D47 PolarHBondContact O-N 3.36Å; L45-E48 PolarHBondContact O-N 2.99Å; L45-M49 HydrophobicContact CD1-CG 4.27Å; L45-M49 WeakPolarHBondContact O-CB 3.21Å; L45-M49 VanDerWaalsContact O-CG 3.22Å; L45-M49 WeakPolarHBondContact O-CG 3.4Å; L45-M49 PolarHBondContact O-N 3.38Å; L45-W69 HydrophobicContact CD2-CE3 4.47Å; L45-F72 HydrophobicContact CB-CB 4.22Å; L45-F72 HydrophobicContact CB-CD2 4.27Å; L45-F72 HydrophobicContact CB-CG 4.41Å; L45-F72 HydrophobicContact CD1-CB 4.25Å; L45-F72 HydrophobicContact CD2-CB 4.02Å; L45-F72 HydrophobicContact CD2-CD1 4.13Å; L45-F72 HydrophobicContact CD2-CD2 4.13Å; L45-F72 HydrophobicContact CD2-CG 3.8Å; L45-F72 HydrophobicContact CG-CB 4.39Å |
| 46 | G | 88.7 | Confident | 87 | Confident | 41 Ų | 41 | 75.6 Ų | 75.6 | 42% | 0.423 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.6 | -42.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L42 I43 R44 M49 A50 | L42-G46 PolarHBondContact O-N 2.87Å; I43-G46 PolarHBondContact O-N 3.41Å; R44-G46 VanDerWaalsContact C-N 3.3Å; R44-G46 PolarHBondContact O-N 3.49Å; G46-M49 PolarHBondContact O-N 3.05Å; G46-A50 VanDerWaalsContact O-CB 3.29Å; G46-A50 WeakPolarHBondContact O-CB 3.42Å; G46-A50 PolarHBondContact O-N 3.1Å |
| 47 | D | 92.4 | Very high | 87.1 | Confident | 97 Ų | 97 | 74.5 Ų | 74.5 | 52% | 0.519 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69.1 | -41.4 | 177.9 | -170 | 54.5 | 0 | 0 | 0 | 112.4 | I43 R44 L45 M49 A50 N51 | I43-D47 PolarHBondContact O-N 2.04Å; R44-D47 PolarHBondContact O-N 3.48Å; L45-D47 VanDerWaalsContact C-N 3.32Å; L45-D47 PolarHBondContact O-N 3.36Å; D47-M49 VanDerWaalsContact C-N 3.27Å; D47-M49 PolarHBondContact O-N 3.05Å; D47-A50 PolarHBondContact O-N 2.99Å; D47-N51 PolarHBondContact O-N 3.2Å; D47-N51 PolarHBondContact O-ND2 2.86Å; D47-N51 PolarHBondContact OD1-ND2 2.89Å |
| 48 | E | 88.7 | Confident | 86.7 | Confident | 32 Ų | 32 | 80.3 Ų | 80.3 | 15% | 0.15 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -61.6 | -35.9 | 173.8 | -73.6 | 177.6 | 173.7 | 0 | 0 | 111.6 | R44 L45 Y68 | R44-E48 IonicContact CZ-OE1 3.33Å; R44-E48 IonicContact NE-OE1 3.1Å; R44-E48 PolarHBondContact NE-OE1 3.18Å; R44-E48 VanDerWaalsContact NE-OE1 3.1Å; R44-E48 IonicContact NH2-OE1 2.84Å; R44-E48 PolarHBondContact NH2-OE1 3.43Å; R44-E48 WeakPolarHBondContact O-CG 3.36Å; R44-E48 PolarHBondContact O-N 3.01Å; L45-E48 PolarHBondContact O-N 2.99Å; E48-Y68 HydrophobicContact CB-CD1 3.89Å; E48-Y68 HydrophobicContact CB-CD2 4.03Å; E48-Y68 HydrophobicContact CB-CE1 4Å; E48-Y68 HydrophobicContact CB-CE2 4.14Å; E48-Y68 HydrophobicContact CB-CG 3.9Å; E48-Y68 HydrophobicContact CG-CD1 4.1Å; E48-Y68 HydrophobicContact CG-CE1 4.12Å; E48-Y68 WeakPolarHBondContact O-CE2 3.15Å; E48-Y68 WeakPolarHBondContact OE2-CD1 3.29Å |
| 49 | M | 86.1 | Confident | 86.4 | Confident | 85 Ų | 85 | 88 Ų | 88 | 42% | 0.419 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -79 | -31.7 | 175.6 | -67.4 | -66.4 | -69.4 | 0 | 0 | 113.2 | L45 G46 D47 Y52 Y68 | L45-M49 HydrophobicContact CD1-CG 4.27Å; L45-M49 WeakPolarHBondContact O-CB 3.21Å; L45-M49 VanDerWaalsContact O-CG 3.22Å; L45-M49 WeakPolarHBondContact O-CG 3.4Å; L45-M49 PolarHBondContact O-N 3.38Å; G46-M49 PolarHBondContact O-N 3.05Å; D47-M49 VanDerWaalsContact C-N 3.27Å; D47-M49 PolarHBondContact O-N 3.05Å; M49-Y52 VanDerWaalsContact O-CB 3.26Å; M49-Y52 WeakPolarHBondContact O-CB 3.42Å; M49-Y52 PolarHBondContact O-N 3.21Å; M49-Y68 HydrophobicContact SD-CD2 4.14Å |
| 50 | A | 88.4 | Confident | 86.2 | Confident | 79 Ų | 79 | 90.6 Ų | 90.6 | 65% | 0.653 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -70.2 | -34.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G46 D47 Y52 | G46-A50 VanDerWaalsContact O-CB 3.29Å; G46-A50 WeakPolarHBondContact O-CB 3.42Å; G46-A50 PolarHBondContact O-N 3.1Å; D47-A50 PolarHBondContact O-N 2.99Å; A50-Y52 VanDerWaalsContact C-N 3.3Å |
| 51 | N | 88.4 | Confident | 85.7 | Confident | 111 Ų | 111 | 87.2 Ų | 87.2 | 59% | 0.594 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 26 | 177.8 | -60.3 | -66.9 | 0 | 0 | 0 | 112.5 | D47 | D47-N51 PolarHBondContact O-N 3.2Å; D47-N51 PolarHBondContact O-ND2 2.86Å; D47-N51 PolarHBondContact OD1-ND2 2.89Å |
| 52 | Y | 87.4 | Confident | 85.3 | Confident | 35 Ų | 35 | 91.3 Ų | 91.3 | 14% | 0.137 | 47% | 0.47 | C | S | . | . | trans | -68.3 | 127 | -175.9 | -169 | -92.6 | 0 | 0 | 0 | 111.9 | M49 A50 Q54 L56 S61 K64 I65 Y68 | M49-Y52 VanDerWaalsContact O-CB 3.26Å; M49-Y52 WeakPolarHBondContact O-CB 3.42Å; M49-Y52 PolarHBondContact O-N 3.21Å; A50-Y52 VanDerWaalsContact C-N 3.3Å; Y52-Q54 PolarHBondContact O-N 3.44Å; Y52-Q54 PolarHBondContact O-NE2 3.45Å; Y52-L56 HydrophobicContact CE1-CD1 4.27Å; Y52-S61 WeakPolarHBondContact OH-CA 3.1Å; Y52-S61 WeakPolarHBondContact OH-CB 3.1Å; Y52-S61 PolarHBondContact OH-O 2.96Å; Y52-K64 HydrophobicContact CE2-CB 4.26Å; Y52-K64 HydrophobicContact CE2-CD 4.48Å; Y52-K64 HydrophobicContact CE2-CG 4.31Å; Y52-I65 HydrophobicContact CE2-CD1 4.3Å; Y52-I65 HydrophobicContact CE2-CG1 3.58Å; Y52-Y68 HydrophobicContact CD2-CD2 4.37Å; Y52-Y68 AromaticContact CD2-CE2 3.79Å; Y52-Y68 HydrophobicContact CD2-CE2 3.79Å; Y52-Y68 HydrophobicContact CE2-CE2 4.11Å | ||
| 53 | P | 85.8 | Confident | 84.9 | Confident | 34 Ų | 34 | 92.2 Ų | 92.2 | 22% | 0.221 | 48% | 0.475 | C | S | . | . | trans | -66.2 | 129.4 | 179.1 | 0.8 | 10.7 | 0 | 0 | 0 | 110.5 | L56 K64 | P53-L56 HydrophobicContact CB-CD1 4.13Å; P53-L56 HydrophobicContact CB-CG 4.1Å; P53-L56 HydrophobicContact CG-CD1 3.86Å; P53-L56 HydrophobicContact CG-CG 4.32Å; P53-K64 HydrophobicContact CG-CD 4.1Å | ||
| 54 | Q | 80.6 | Confident | 84.5 | Confident | 173 Ų | 173 | 90 Ų | 90 | 81% | 0.808 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -88 | -7.8 | -174.6 | -62.5 | -64.8 | -60.8 | 0 | 0 | 113.1 | Y52 | Y52-Q54 PolarHBondContact O-N 3.44Å; Y52-Q54 PolarHBondContact O-NE2 3.45Å |
| 55 | D | 82.8 | Confident | 84.1 | Confident | 144 Ų | 144 | 85.7 Ų | 85.7 | 77% | 0.77 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -106.9 | 36.4 | -172.4 | 60.3 | -45.4 | 0 | 0 | 0 | 112.6 | ||
| 56 | L | 81.1 | Confident | 83.8 | Confident | 40 Ų | 40 | 85.3 Ų | 85.3 | 21% | 0.209 | 45% | 0.447 | C | S | . | . | trans | -105.2 | 139.5 | 179.3 | -67 | 176 | 0 | 0 | 0 | 111.5 | Y52 P53 E60 S61 K64 | Y52-L56 HydrophobicContact CE1-CD1 4.27Å; P53-L56 HydrophobicContact CB-CD1 4.13Å; P53-L56 HydrophobicContact CB-CG 4.1Å; P53-L56 HydrophobicContact CG-CD1 3.86Å; P53-L56 HydrophobicContact CG-CG 4.32Å; L56-E60 HydrophobicContact CB-CB 4.3Å; L56-E60 HydrophobicContact CD2-CB 4.24Å; L56-S61 WeakPolarHBondContact CB-OG 3.27Å; L56-S61 PolarHBondContact O-OG 2.96Å; L56-K64 HydrophobicContact CD1-CB 4.5Å; L56-K64 HydrophobicContact CD1-CD 3.66Å | ||
| 57 | D | 81.6 | Confident | 83.7 | Confident | 123 Ų | 123 | 86.5 Ų | 86.5 | 66% | 0.658 | 45% | 0.446 | S | S | * | . | trans | -59.7 | 151.1 | 166.7 | -80.5 | -52.2 | 0 | 0 | 0 | 110.8 | R59 E60 S61 | D57-R59 PolarHBondContact O-N 3.26Å; D57-E60 PolarHBondContact O-N 2.88Å; D57-S61 WeakPolarHBondContact O-CB 3.38Å; D57-S61 PolarHBondContact O-N 3.47Å; D57-S61 PolarHBondContact O-OG 3.48Å | ||
| 58 | D | 76.3 | Confident | 83.5 | Confident | 141 Ų | 141 | 83.6 Ų | 83.6 | 75% | 0.754 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -52.1 | -37.1 | -175.4 | -68 | -35.2 | 0 | 0 | 0 | 113.4 | L62 | D58-L62 WeakPolarHBondContact O-CG 3.35Å; D58-L62 PolarHBondContact O-N 3.17Å; D58-L62 VanDerWaalsContact O-N 3.09Å |
| 59 | R | 76.8 | Confident | 83.3 | Confident | 211 Ų | 211 | 84.5 Ų | 84.5 | 80% | 0.796 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -69.1 | -43 | 177.2 | -83.6 | -178.7 | 61.8 | 109.7 | 1.3 | 112.8 | D57 S61 N63 | D57-R59 PolarHBondContact O-N 3.26Å; R59-S61 VanDerWaalsContact C-N 3.29Å; R59-N63 WeakPolarHBondContact O-CB 3.31Å; R59-N63 PolarHBondContact O-N 3.3Å; R59-N63 VanDerWaalsContact O-N 3.13Å |
| 60 | E | 79.6 | Confident | 83.3 | Confident | 110 Ų | 110 | 85.4 Ų | 85.4 | 51% | 0.514 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.3 | -36.7 | 178.2 | -64.9 | -167.6 | 157.9 | 0 | 0 | 110.4 | L56 D57 N63 K64 | L56-E60 HydrophobicContact CB-CB 4.3Å; L56-E60 HydrophobicContact CD2-CB 4.24Å; D57-E60 PolarHBondContact O-N 2.88Å; E60-N63 PolarHBondContact O-N 3.09Å; E60-K64 WeakPolarHBondContact O-CB 3.39Å; E60-K64 PolarHBondContact O-N 2.78Å |
| 61 | S | 79.8 | Confident | 83.3 | Confident | 22 Ų | 22 | 84.5 Ų | 84.5 | 15% | 0.154 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -58.1 | -53.6 | 176.1 | -68.5 | 0 | 0 | 0 | 0 | 111.7 | Y52 L56 D57 R59 N63 K64 I65 | Y52-S61 WeakPolarHBondContact OH-CA 3.1Å; Y52-S61 WeakPolarHBondContact OH-CB 3.1Å; Y52-S61 PolarHBondContact OH-O 2.96Å; L56-S61 WeakPolarHBondContact CB-OG 3.27Å; L56-S61 PolarHBondContact O-OG 2.96Å; D57-S61 WeakPolarHBondContact O-CB 3.38Å; D57-S61 PolarHBondContact O-N 3.47Å; D57-S61 PolarHBondContact O-OG 3.48Å; R59-S61 VanDerWaalsContact C-N 3.29Å; S61-N63 PolarHBondContact O-N 2.93Å; S61-K64 PolarHBondContact O-N 2.91Å; S61-I65 VanDerWaalsContact O-CG1 3.31Å; S61-I65 WeakPolarHBondContact O-CG1 3.42Å; S61-I65 PolarHBondContact O-N 3Å |
| 62 | L | 80.4 | Confident | 83.3 | Confident | 88 Ų | 88 | 80.4 Ų | 80.4 | 46% | 0.461 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 178.1 | -72.8 | 176.8 | 0 | 0 | 0 | 112.5 | D58 K64 I65 C66 | D58-L62 WeakPolarHBondContact O-CG 3.35Å; D58-L62 PolarHBondContact O-N 3.17Å; D58-L62 VanDerWaalsContact O-N 3.09Å; L62-K64 VanDerWaalsContact C-N 3.31Å; L62-K64 PolarHBondContact O-N 3.37Å; L62-I65 PolarHBondContact O-N 3.03Å; L62-C66 WeakPolarHBondContact O-CB 3.31Å; L62-C66 PolarHBondContact O-N 3.29Å; L62-C66 PolarHBondContact O-SG 2.82Å |
| 63 | N | 81.9 | Confident | 83.1 | Confident | 97 Ų | 97 | 81 Ų | 81 | 52% | 0.519 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 178.5 | -168.4 | 22.3 | 0 | 0 | 0 | 111.8 | R59 E60 S61 C66 T67 | R59-N63 WeakPolarHBondContact O-CB 3.31Å; R59-N63 PolarHBondContact O-N 3.3Å; R59-N63 VanDerWaalsContact O-N 3.13Å; E60-N63 PolarHBondContact O-N 3.09Å; S61-N63 PolarHBondContact O-N 2.93Å; N63-C66 PolarHBondContact O-N 3.44Å; N63-T67 PolarHBondContact O-N 3.43Å; N63-T67 PolarHBondContact O-OG1 3.49Å |
| 64 | K | 84.6 | Confident | 83.1 | Confident | 71 Ų | 71 | 82.9 Ų | 82.9 | 31% | 0.309 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.7 | -43.4 | 179.5 | -162.2 | 164 | -173.2 | 154.9 | 0 | 112 | Y52 P53 L56 E60 S61 L62 C66 T67 Y68 | Y52-K64 HydrophobicContact CE2-CB 4.26Å; Y52-K64 HydrophobicContact CE2-CD 4.48Å; Y52-K64 HydrophobicContact CE2-CG 4.31Å; P53-K64 HydrophobicContact CG-CD 4.1Å; L56-K64 HydrophobicContact CD1-CB 4.5Å; L56-K64 HydrophobicContact CD1-CD 3.66Å; E60-K64 WeakPolarHBondContact O-CB 3.39Å; E60-K64 PolarHBondContact O-N 2.78Å; S61-K64 PolarHBondContact O-N 2.91Å; L62-K64 VanDerWaalsContact C-N 3.31Å; L62-K64 PolarHBondContact O-N 3.37Å; K64-C66 VanDerWaalsContact C-N 3.31Å; K64-C66 PolarHBondContact O-N 3.39Å; K64-T67 WeakPolarHBondContact O-CB 3.34Å; K64-T67 PolarHBondContact O-N 2.9Å; K64-T67 VanDerWaalsContact O-N 3.12Å; K64-Y68 WeakPolarHBondContact CE-OH 3.33Å; K64-Y68 HydrophobicContact CG-CE1 4.35Å; K64-Y68 HydrophobicContact CG-CE2 3.84Å; K64-Y68 PolarHBondContact O-N 3.1Å |
| 65 | I | 84.3 | Confident | 83.3 | Confident | 38 Ų | 38 | 76.8 Ų | 76.8 | 20% | 0.195 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.8 | -44 | 173.7 | -69.1 | 166.3 | 0 | 0 | 0 | 110.7 | Y52 S61 L62 T67 Y68 W69 L107 | Y52-I65 HydrophobicContact CE2-CD1 4.3Å; Y52-I65 HydrophobicContact CE2-CG1 3.58Å; S61-I65 VanDerWaalsContact O-CG1 3.31Å; S61-I65 WeakPolarHBondContact O-CG1 3.42Å; S61-I65 PolarHBondContact O-N 3Å; L62-I65 PolarHBondContact O-N 3.03Å; I65-T67 VanDerWaalsContact C-N 3.3Å; I65-T67 PolarHBondContact O-N 3.28Å; I65-Y68 PolarHBondContact O-N 3.45Å; I65-W69 WeakPolarHBondContact O-CB 3.29Å; I65-W69 PolarHBondContact O-N 3.4Å; I65-L107 HydrophobicContact CG2-CD2 3.26Å |
| 66 | C | 83.8 | Confident | 83.4 | Confident | 20 Ų | 20 | 69.9 Ų | 69.9 | 14% | 0.135 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.3 | -30.9 | 177.1 | -67.2 | 0 | 0 | 0 | 0 | 113.3 | L62 N63 K64 D70 C111 | L62-C66 WeakPolarHBondContact O-CB 3.31Å; L62-C66 PolarHBondContact O-N 3.29Å; L62-C66 PolarHBondContact O-SG 2.82Å; N63-C66 PolarHBondContact O-N 3.44Å; K64-C66 VanDerWaalsContact C-N 3.31Å; K64-C66 PolarHBondContact O-N 3.39Å; C66-D70 WeakPolarHBondContact O-CB 3.35Å; C66-D70 PolarHBondContact O-N 2.78Å; C66-C111 WeakPolarHBondContact CA-SG 3.42Å; C66-C111 HydrophobicContact CB-CB 3.58Å; C66-C111 WeakPolarHBondContact CB-SG 3.45Å; C66-C111 VanDerWaalsContact SG-CA 3.51Å; C66-C111 WeakPolarHBondContact SG-CB 3.27Å; C66-C111 CovalentContact SG-SG 2.04Å; C66-C111 PolarHBondContact SG-SG 2.83Å |
| 67 | T | 86.4 | Confident | 83.1 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 40% | 0.399 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.6 | -45.5 | 173.3 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | N63 K64 I65 W69 D70 N71 | N63-T67 PolarHBondContact O-N 3.43Å; N63-T67 PolarHBondContact O-OG1 3.49Å; K64-T67 WeakPolarHBondContact O-CB 3.34Å; K64-T67 PolarHBondContact O-N 2.9Å; K64-T67 VanDerWaalsContact O-N 3.12Å; I65-T67 VanDerWaalsContact C-N 3.3Å; I65-T67 PolarHBondContact O-N 3.28Å; T67-W69 VanDerWaalsContact C-N 3.33Å; T67-W69 PolarHBondContact O-N 2.84Å; T67-D70 PolarHBondContact O-N 3.18Å; T67-N71 VanDerWaalsContact O-CG 3.26Å; T67-N71 PolarHBondContact O-N 3.4Å; T67-N71 PolarHBondContact O-ND2 2.71Å |
| 68 | Y | 88.4 | Confident | 83.1 | Confident | 37 Ų | 37 | 67.9 Ų | 67.9 | 15% | 0.145 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62 | -42.1 | 175.8 | -61 | -28.4 | 0 | 0 | 0 | 112 | E48 M49 Y52 K64 I65 N71 F72 | E48-Y68 HydrophobicContact CB-CD1 3.89Å; E48-Y68 HydrophobicContact CB-CD2 4.03Å; E48-Y68 HydrophobicContact CB-CE1 4Å; E48-Y68 HydrophobicContact CB-CE2 4.14Å; E48-Y68 HydrophobicContact CB-CG 3.9Å; E48-Y68 HydrophobicContact CG-CD1 4.1Å; E48-Y68 HydrophobicContact CG-CE1 4.12Å; E48-Y68 WeakPolarHBondContact O-CE2 3.15Å; E48-Y68 WeakPolarHBondContact OE2-CD1 3.29Å; M49-Y68 HydrophobicContact SD-CD2 4.14Å; Y52-Y68 HydrophobicContact CD2-CD2 4.37Å; Y52-Y68 AromaticContact CD2-CE2 3.79Å; Y52-Y68 HydrophobicContact CD2-CE2 3.79Å; Y52-Y68 HydrophobicContact CE2-CE2 4.11Å; K64-Y68 WeakPolarHBondContact CE-OH 3.33Å; K64-Y68 HydrophobicContact CG-CE1 4.35Å; K64-Y68 HydrophobicContact CG-CE2 3.84Å; K64-Y68 PolarHBondContact O-N 3.1Å; I65-Y68 PolarHBondContact O-N 3.45Å; Y68-N71 PolarHBondContact O-N 2.91Å; Y68-F72 WeakPolarHBondContact O-CB 3.44Å; Y68-F72 PolarHBondContact O-N 3.31Å |
| 69 | W | 85.6 | Confident | 83.2 | Confident | 50 Ų | 50 | 61.9 Ų | 61.9 | 19% | 0.189 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 175.2 | 178.6 | -106.7 | 0 | 0 | 0 | 113.1 | L45 I65 T67 F72 H73 L107 C111 | L45-W69 HydrophobicContact CD2-CE3 4.47Å; I65-W69 WeakPolarHBondContact O-CB 3.29Å; I65-W69 PolarHBondContact O-N 3.4Å; T67-W69 VanDerWaalsContact C-N 3.33Å; T67-W69 PolarHBondContact O-N 2.84Å; W69-F72 AromaticContact CE3-CD1 3.93Å; W69-F72 HydrophobicContact CE3-CD1 3.93Å; W69-F72 HydrophobicContact CH2-CD1 4.34Å; W69-F72 HydrophobicContact CH2-CE1 4.19Å; W69-F72 AromaticContact CZ3-CD1 3.76Å; W69-F72 HydrophobicContact CZ3-CD1 3.76Å; W69-F72 AromaticContact CZ3-CE1 3.89Å; W69-F72 HydrophobicContact CZ3-CE1 3.89Å; W69-F72 PolarHBondContact O-N 3.41Å; W69-H73 WeakPolarHBondContact O-CB 3.47Å; W69-H73 PolarHBondContact O-N 2.86Å; W69-L107 HydrophobicContact CB-CD2 4.35Å; W69-L107 HydrophobicContact CD2-CB 3.68Å; W69-L107 HydrophobicContact CD2-CD1 4.35Å; W69-L107 HydrophobicContact CD2-CG 4.46Å; W69-L107 HydrophobicContact CE3-CB 3.8Å; W69-L107 HydrophobicContact CE3-CD1 3.67Å; W69-L107 HydrophobicContact CE3-CG 4.25Å; W69-L107 HydrophobicContact CG-CB 4.1Å; W69-L107 HydrophobicContact CH2-CB 4.44Å; W69-L107 HydrophobicContact CZ2-CB 4.36Å; W69-L107 HydrophobicContact CZ3-CB 4.18Å; W69-L107 HydrophobicContact CZ3-CD1 4Å; W69-C111 HydrophobicContact CG-CB 4.43Å |
| 70 | D | 85.6 | Confident | 82.9 | Confident | 105 Ų | 105 | 52.9 Ų | 52.9 | 56% | 0.561 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -65.3 | -40.8 | 179.6 | -165.8 | 58 | 0 | 0 | 0 | 111.7 | C66 T67 F72 H73 S74 | C66-D70 WeakPolarHBondContact O-CB 3.35Å; C66-D70 PolarHBondContact O-N 2.78Å; T67-D70 PolarHBondContact O-N 3.18Å; D70-F72 PolarHBondContact O-N 3.24Å; D70-H73 PolarHBondContact O-N 3.01Å; D70-S74 WeakPolarHBondContact O-CB 3.29Å; D70-S74 PolarHBondContact O-N 2.82Å |
| 71 | N | 88.3 | Confident | 82.4 | Confident | 60 Ų | 60 | 50.5 Ų | 50.5 | 32% | 0.321 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 173.8 | -72.4 | -25.2 | 0 | 0 | 0 | 112.2 | T67 Y68 C75 | T67-N71 VanDerWaalsContact O-CG 3.26Å; T67-N71 PolarHBondContact O-N 3.4Å; T67-N71 PolarHBondContact O-ND2 2.71Å; Y68-N71 PolarHBondContact O-N 2.91Å; N71-C75 VanDerWaalsContact O-CB 3.29Å; N71-C75 WeakPolarHBondContact O-CB 3.22Å; N71-C75 PolarHBondContact O-N 3.38Å |
| 72 | F | 89 | Confident | 81.7 | Confident | 24 Ų | 24 | 54.9 Ų | 54.9 | 11% | 0.105 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 174.1 | 164.4 | -103.3 | 0 | 0 | 0 | 111.2 | F38 C41 L42 L45 Y68 W69 D70 S74 C75 A76 | F38-F72 HydrophobicContact CE2-CE2 4.38Å; F38-F72 HydrophobicContact CE2-CZ 4.11Å; F38-F72 HydrophobicContact CZ-CZ 4.46Å; C41-F72 HydrophobicContact CB-CD2 4Å; C41-F72 HydrophobicContact CB-CE2 4.15Å; L42-F72 HydrophobicContact CD2-CD2 4.45Å; L42-F72 HydrophobicContact CD2-CE2 3.47Å; L42-F72 VanDerWaalsContact CD2-CE2 3.47Å; L42-F72 HydrophobicContact CD2-CZ 3.72Å; L42-F72 HydrophobicContact CG-CE2 3.93Å; L42-F72 HydrophobicContact CG-CZ 4.49Å; L45-F72 HydrophobicContact CB-CB 4.22Å; L45-F72 HydrophobicContact CB-CD2 4.27Å; L45-F72 HydrophobicContact CB-CG 4.41Å; L45-F72 HydrophobicContact CD1-CB 4.25Å; L45-F72 HydrophobicContact CD2-CB 4.02Å; L45-F72 HydrophobicContact CD2-CD1 4.13Å; L45-F72 HydrophobicContact CD2-CD2 4.13Å; L45-F72 HydrophobicContact CD2-CG 3.8Å; L45-F72 HydrophobicContact CG-CB 4.39Å; Y68-F72 WeakPolarHBondContact O-CB 3.44Å; Y68-F72 PolarHBondContact O-N 3.31Å; W69-F72 AromaticContact CE3-CD1 3.93Å; W69-F72 HydrophobicContact CE3-CD1 3.93Å; W69-F72 HydrophobicContact CH2-CD1 4.34Å; W69-F72 HydrophobicContact CH2-CE1 4.19Å; W69-F72 AromaticContact CZ3-CD1 3.76Å; W69-F72 HydrophobicContact CZ3-CD1 3.76Å; W69-F72 AromaticContact CZ3-CE1 3.89Å; W69-F72 HydrophobicContact CZ3-CE1 3.89Å; W69-F72 PolarHBondContact O-N 3.41Å; D70-F72 PolarHBondContact O-N 3.24Å; F72-S74 PolarHBondContact O-N 3.45Å; F72-C75 PolarHBondContact O-N 3.38Å; F72-A76 HydrophobicContact CE2-CB 4.19Å; F72-A76 HydrophobicContact CZ-CB 4.17Å; F72-A76 VanDerWaalsContact O-CB 3.31Å; F72-A76 WeakPolarHBondContact O-CB 3.22Å; F72-A76 PolarHBondContact O-N 3.39Å |
| 73 | H | 83.1 | Confident | 81.1 | Confident | 49 Ų | 49 | 51.3 Ų | 51.3 | 23% | 0.227 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | -177 | -174.1 | -82.7 | 0 | 0 | 0 | 111.8 | W69 D70 T77 | W69-H73 WeakPolarHBondContact O-CB 3.47Å; W69-H73 PolarHBondContact O-N 2.86Å; D70-H73 PolarHBondContact O-N 3.01Å; H73-T77 WeakPolarHBondContact O-CB 3.47Å; H73-T77 PolarHBondContact O-N 3.34Å; H73-T77 PolarHBondContact O-OG1 3.26Å |
| 74 | S | 85.7 | Confident | 79.8 | Confident | 72 Ų | 72 | 53 Ų | 53 | 50% | 0.503 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.2 | -51.7 | 173.2 | -174.2 | 0 | 0 | 0 | 0 | 111.3 | D70 F72 A76 T77 T78 | D70-S74 WeakPolarHBondContact O-CB 3.29Å; D70-S74 PolarHBondContact O-N 2.82Å; F72-S74 PolarHBondContact O-N 3.45Å; S74-A76 PolarHBondContact O-N 2.84Å; S74-T77 PolarHBondContact O-N 3.47Å; S74-T78 PolarHBondContact O-N 3.04Å; S74-T78 PolarHBondContact O-OG1 2.9Å |
| 75 | C | 85.5 | Confident | 78.2 | Confident | 45 Ų | 45 | 59.2 Ų | 59.2 | 30% | 0.304 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.5 | -49.9 | 178.5 | -176.2 | 0 | 0 | 0 | 0 | 112.5 | C41 N71 F72 T78 A79 | C41-C75 HydrophobicContact CB-CB 3.82Å; C41-C75 WeakPolarHBondContact CB-SG 3.43Å; C41-C75 WeakPolarHBondContact SG-CB 3.39Å; C41-C75 PolarHBondContact SG-O 3.25Å; C41-C75 CovalentContact SG-SG 2.04Å; C41-C75 PolarHBondContact SG-SG 2.97Å; N71-C75 VanDerWaalsContact O-CB 3.29Å; N71-C75 WeakPolarHBondContact O-CB 3.22Å; N71-C75 PolarHBondContact O-N 3.38Å; F72-C75 PolarHBondContact O-N 3.38Å; C75-T78 PolarHBondContact O-N 3.39Å; C75-A79 WeakPolarHBondContact O-CB 3.37Å; C75-A79 PolarHBondContact O-N 3.24Å |
| 76 | A | 83.2 | Confident | 76.8 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.8 | -45.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F38 F72 S74 T78 A79 L80 W91 | F38-A76 HydrophobicContact CD2-CB 3.84Å; F38-A76 HydrophobicContact CE2-CB 3.88Å; F72-A76 HydrophobicContact CE2-CB 4.19Å; F72-A76 HydrophobicContact CZ-CB 4.17Å; F72-A76 VanDerWaalsContact O-CB 3.31Å; F72-A76 WeakPolarHBondContact O-CB 3.22Å; F72-A76 PolarHBondContact O-N 3.39Å; S74-A76 PolarHBondContact O-N 2.84Å; A76-T78 VanDerWaalsContact C-N 3.33Å; A76-T78 PolarHBondContact O-N 2.99Å; A76-A79 PolarHBondContact O-N 2.89Å; A76-L80 HydrophobicContact CB-CD1 4.48Å; A76-L80 VanDerWaalsContact O-CB 3.31Å; A76-L80 WeakPolarHBondContact O-CB 3.15Å; A76-L80 WeakPolarHBondContact O-CD1 3.44Å; A76-L80 WeakPolarHBondContact O-CG 3.38Å; A76-L80 PolarHBondContact O-N 3.5Å; A76-W91 HydrophobicContact CB-CH2 4.34Å; A76-W91 HydrophobicContact CB-CZ2 4.21Å |
| 77 | T | 75.3 | Confident | 75.8 | Confident | 39 Ų | 39 | 59.7 Ų | 59.7 | 24% | 0.239 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.8 | -39.3 | -179.8 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | H73 S74 A81 | H73-T77 WeakPolarHBondContact O-CB 3.47Å; H73-T77 PolarHBondContact O-N 3.34Å; H73-T77 PolarHBondContact O-OG1 3.26Å; S74-T77 PolarHBondContact O-N 3.47Å; T77-A81 WeakPolarHBondContact O-CB 3.5Å; T77-A81 PolarHBondContact O-N 3.18Å |
| 78 | T | 80.8 | Confident | 74.6 | Confident | 82 Ų | 82 | 59.3 Ų | 59.3 | 50% | 0.503 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.3 | -49.6 | 174.6 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | S74 C75 A76 L80 A81 | S74-T78 PolarHBondContact O-N 3.04Å; S74-T78 PolarHBondContact O-OG1 2.9Å; C75-T78 PolarHBondContact O-N 3.39Å; A76-T78 VanDerWaalsContact C-N 3.33Å; A76-T78 PolarHBondContact O-N 2.99Å; T78-L80 PolarHBondContact O-N 3.08Å; T78-L80 VanDerWaalsContact O-N 3.1Å; T78-A81 PolarHBondContact O-N 3.4Å |
| 79 | A | 79.3 | Confident | 73.5 | Confident | 14 Ų | 14 | 63.1 Ų | 63.1 | 12% | 0.116 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.3 | -30.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | V34 C75 A76 | V34-A79 VanDerWaalsContact CG1-O 3.27Å; V34-A79 WeakPolarHBondContact CG1-O 3.5Å; V34-A79 WeakPolarHBondContact CG2-O 3.46Å; C75-A79 WeakPolarHBondContact O-CB 3.37Å; C75-A79 PolarHBondContact O-N 3.24Å; A76-A79 PolarHBondContact O-N 2.89Å |
| 80 | L | 71.1 | Confident | 72.5 | Confident | 22 Ų | 22 | 66 Ų | 66 | 12% | 0.115 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -88.7 | -19.7 | -179.6 | -69.4 | 158 | 0 | 0 | 0 | 113.7 | V34 F38 A76 T78 D82 W91 | V34-L80 HydrophobicContact CG1-CD2 3.61Å; V34-L80 HydrophobicContact CG1-CG 4.27Å; F38-L80 HydrophobicContact CD2-CD1 3.85Å; F38-L80 HydrophobicContact CE2-CD1 4.24Å; A76-L80 HydrophobicContact CB-CD1 4.48Å; A76-L80 VanDerWaalsContact O-CB 3.31Å; A76-L80 WeakPolarHBondContact O-CB 3.15Å; A76-L80 WeakPolarHBondContact O-CD1 3.44Å; A76-L80 WeakPolarHBondContact O-CG 3.38Å; A76-L80 PolarHBondContact O-N 3.5Å; T78-L80 PolarHBondContact O-N 3.08Å; T78-L80 VanDerWaalsContact O-N 3.1Å; L80-D82 VanDerWaalsContact C-N 3.28Å; L80-W91 HydrophobicContact CB-CD2 4.43Å; L80-W91 HydrophobicContact CB-CG 4.17Å; L80-W91 HydrophobicContact CD1-CD2 3.28Å; L80-W91 HydrophobicContact CD1-CE3 3.37Å; L80-W91 HydrophobicContact CD1-CG 3.9Å; L80-W91 HydrophobicContact CD1-CH2 3.45Å; L80-W91 VanDerWaalsContact CD1-CH2 3.45Å; L80-W91 HydrophobicContact CD1-CZ2 3.39Å; L80-W91 HydrophobicContact CD1-CZ3 3.43Å; L80-W91 VanDerWaalsContact CD1-CZ3 3.43Å; L80-W91 HydrophobicContact CG-CD2 4.32Å |
| 81 | A | 69.4 | Low | 71.6 | Confident | 61 Ų | 61 | 63.2 Ų | 63.2 | 50% | 0.504 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -74.3 | -19.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | T77 T78 C83 | T77-A81 WeakPolarHBondContact O-CB 3.5Å; T77-A81 PolarHBondContact O-N 3.18Å; T78-A81 PolarHBondContact O-N 3.4Å; A81-C83 VanDerWaalsContact C-N 3.33Å; A81-C83 PolarHBondContact O-N 3.48Å |
| 82 | D | 64.6 | Low | 70.5 | Confident | 114 Ų | 114 | 64.4 Ų | 64.4 | 61% | 0.61 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 4.3 | -175.6 | -68.7 | -26.1 | 0 | 0 | 0 | 114.4 | L80 | L80-D82 VanDerWaalsContact C-N 3.28Š|
| 83 | C | 67.3 | Low | 69.7 | Low | 13 Ų | 13 | 69.5 Ų | 69.5 | 9% | 0.088 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -110.2 | 144.2 | 178.4 | 164.7 | 0 | 0 | 0 | 0 | 112.1 | C31 V34 A81 A87 | C31-C83 HydrophobicContact CB-CB 4.04Å; C31-C83 WeakPolarHBondContact CB-SG 3.18Å; C31-C83 WeakPolarHBondContact SG-CB 3.14Å; C31-C83 CovalentContact SG-SG 2.04Å; C31-C83 PolarHBondContact SG-SG 2.94Å; V34-C83 HydrophobicContact CB-CB 4.24Å; V34-C83 HydrophobicContact CG1-CB 4.45Å; V34-C83 HydrophobicContact CG2-CB 3.46Å; V34-C83 VanDerWaalsContact CG2-CB 3.46Å; A81-C83 VanDerWaalsContact C-N 3.33Å; A81-C83 PolarHBondContact O-N 3.48Å; C83-A87 HydrophobicContact CB-CB 4.12Å; C83-A87 WeakPolarHBondContact SG-CB 3.26Å |
| 84 | Q | 54.3 | Low | 68.8 | Low | 133 Ų | 133 | 72.2 Ų | 72.2 | 62% | 0.621 | 40% | 0.401 | S | S | * | . | trans | -58.5 | 159.8 | -171.1 | -165.2 | 147.7 | -15.2 | 0 | 0 | 114.6 | G86 A87 | Q84-G86 PolarHBondContact O-N 3.19Å; Q84-G86 VanDerWaalsContact O-N 3.08Å; Q84-A87 PolarHBondContact O-N 2.9Å | ||
| 85 | E | 51.6 | Low | 67.8 | Low | 201 Ų | 201 | 70.6 Ų | 70.6 | 94% | 0.939 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -36.6 | 104.7 | -175 | -149 | 174.9 | -150.8 | 0 | 0 | 113.7 | ||
| 86 | G | 54.9 | Low | 67 | Low | 35 Ų | 35 | 75.7 Ų | 75.7 | 36% | 0.361 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 137.7 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q84 D89 L90 | Q84-G86 PolarHBondContact O-N 3.19Å; Q84-G86 VanDerWaalsContact O-N 3.08Å; G86-D89 PolarHBondContact O-N 2.94Å; G86-L90 PolarHBondContact O-N 3.29Å; G86-L90 VanDerWaalsContact O-N 3.14Å |
| 87 | A | 63.2 | Low | 66.1 | Low | 33 Ų | 33 | 80.7 Ų | 80.7 | 27% | 0.273 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.8 | -37.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | C83 Q84 D89 L90 W91 | C83-A87 HydrophobicContact CB-CB 4.12Å; C83-A87 WeakPolarHBondContact SG-CB 3.26Å; Q84-A87 PolarHBondContact O-N 2.9Å; A87-D89 PolarHBondContact O-N 3.37Å; A87-L90 PolarHBondContact O-N 3.48Å; A87-W91 WeakPolarHBondContact O-CB 3.5Å; A87-W91 PolarHBondContact O-N 3.01Å |
| 88 | T | 61.6 | Low | 65.5 | Low | 56 Ų | 56 | 81.5 Ų | 81.5 | 34% | 0.344 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.2 | -39 | 174.9 | -46.3 | 0 | 0 | 0 | 0 | 112.3 | W91 E92 | T88-W91 PolarHBondContact O-N 3.12Å; T88-E92 WeakPolarHBondContact O-CB 3.44Å; T88-E92 WeakPolarHBondContact O-CG 3.21Å; T88-E92 PolarHBondContact O-N 2.89Å |
| 89 | D | 63.8 | Low | 64.6 | Low | 118 Ų | 118 | 84 Ų | 84 | 63% | 0.631 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -67.5 | -44.7 | 177.2 | -176.5 | 75.6 | 0 | 0 | 0 | 111.4 | G86 A87 W91 E92 K93 | G86-D89 PolarHBondContact O-N 2.94Å; A87-D89 PolarHBondContact O-N 3.37Å; D89-W91 VanDerWaalsContact C-N 3.34Å; D89-W91 PolarHBondContact O-N 3.34Å; D89-E92 PolarHBondContact O-N 3.47Å; D89-K93 WeakPolarHBondContact O-CB 3.38Å; D89-K93 PolarHBondContact O-N 3.43Å |
| 90 | L | 65.6 | Low | 63.8 | Low | 111 Ų | 111 | 88.9 Ų | 88.9 | 58% | 0.581 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60.4 | -42 | 172.7 | -93.7 | 143.1 | 0 | 0 | 0 | 112 | G86 A87 K93 L94 | G86-L90 PolarHBondContact O-N 3.29Å; G86-L90 VanDerWaalsContact O-N 3.14Å; A87-L90 PolarHBondContact O-N 3.48Å; L90-K93 PolarHBondContact O-N 3.41Å; L90-L94 WeakPolarHBondContact O-CB 3.49Å; L90-L94 VanDerWaalsContact O-CG 3.27Å; L90-L94 WeakPolarHBondContact O-CG 3.31Å; L90-L94 PolarHBondContact O-N 2.88Å |
| 91 | W | 66.2 | Low | 63.2 | Low | 46 Ų | 46 | 92.4 Ų | 92.4 | 17% | 0.174 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -65.1 | -46.1 | 175.7 | 176.6 | -116.1 | 0 | 0 | 0 | 112.4 | F38 A76 L80 A87 T88 D89 K93 L94 K95 | F38-W91 AromaticContact CE2-CH2 3.87Å; F38-W91 HydrophobicContact CE2-CH2 3.87Å; F38-W91 HydrophobicContact CE2-CZ3 4.13Å; A76-W91 HydrophobicContact CB-CH2 4.34Å; A76-W91 HydrophobicContact CB-CZ2 4.21Å; L80-W91 HydrophobicContact CB-CD2 4.43Å; L80-W91 HydrophobicContact CB-CG 4.17Å; L80-W91 HydrophobicContact CD1-CD2 3.28Å; L80-W91 HydrophobicContact CD1-CE3 3.37Å; L80-W91 HydrophobicContact CD1-CG 3.9Å; L80-W91 HydrophobicContact CD1-CH2 3.45Å; L80-W91 VanDerWaalsContact CD1-CH2 3.45Å; L80-W91 HydrophobicContact CD1-CZ2 3.39Å; L80-W91 HydrophobicContact CD1-CZ3 3.43Å; L80-W91 VanDerWaalsContact CD1-CZ3 3.43Å; L80-W91 HydrophobicContact CG-CD2 4.32Å; A87-W91 WeakPolarHBondContact O-CB 3.5Å; A87-W91 PolarHBondContact O-N 3.01Å; T88-W91 PolarHBondContact O-N 3.12Å; D89-W91 VanDerWaalsContact C-N 3.34Å; D89-W91 PolarHBondContact O-N 3.34Å; W91-K93 VanDerWaalsContact C-N 3.27Å; W91-K93 PolarHBondContact O-N 2.94Å; W91-L94 PolarHBondContact O-N 3.32Å; W91-K95 VanDerWaalsContact O-CB 3.27Å; W91-K95 WeakPolarHBondContact O-CB 2.99Å; W91-K95 PolarHBondContact O-N 3.44Å |
| 92 | E | 65.4 | Low | 62.3 | Low | 84 Ų | 84 | 97.1 Ų | 97.1 | 39% | 0.393 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -34.1 | 177.8 | -76.8 | -61.5 | 141.2 | 0 | 0 | 111.7 | T88 D89 K95 K96 | T88-E92 WeakPolarHBondContact O-CB 3.44Å; T88-E92 WeakPolarHBondContact O-CG 3.21Å; T88-E92 PolarHBondContact O-N 2.89Å; D89-E92 PolarHBondContact O-N 3.47Å; E92-K95 IonicContact OE1-NZ 2.84Å; E92-K95 PolarHBondContact OE1-NZ 3.33Å; E92-K95 IonicContact OE2-NZ 3.4Å; E92-K95 PolarHBondContact OE2-NZ 3.3Å; E92-K96 WeakPolarHBondContact O-CB 3.38Å; E92-K96 PolarHBondContact O-N 2.96Å |
| 93 | K | 71.3 | Confident | 61.6 | Low | 132 Ų | 132 | 98.4 Ų | 98.4 | 57% | 0.574 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.6 | -46.7 | 170.9 | -168.5 | 175.3 | -177.8 | 179.9 | 0 | 112.1 | D89 L90 W91 K95 K96 E97 | D89-K93 WeakPolarHBondContact O-CB 3.38Å; D89-K93 PolarHBondContact O-N 3.43Å; L90-K93 PolarHBondContact O-N 3.41Å; W91-K93 VanDerWaalsContact C-N 3.27Å; W91-K93 PolarHBondContact O-N 2.94Å; K93-K95 VanDerWaalsContact C-N 3.32Å; K93-K95 PolarHBondContact O-N 2.94Å; K93-K96 WeakPolarHBondContact O-CB 3.47Å; K93-K96 PolarHBondContact O-N 3.41Å; K93-E97 WeakPolarHBondContact O-CG 2.89Å; K93-E97 PolarHBondContact O-N 3.12Å |
| 94 | L | 64.6 | Low | 60.6 | Low | 106 Ų | 106 | 109.1 Ų | 109.1 | 56% | 0.555 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.9 | -40.3 | 175.6 | -77.3 | 167.1 | 0 | 0 | 0 | 112 | L90 W91 E97 S98 | L90-L94 WeakPolarHBondContact O-CB 3.49Å; L90-L94 VanDerWaalsContact O-CG 3.27Å; L90-L94 WeakPolarHBondContact O-CG 3.31Å; L90-L94 PolarHBondContact O-N 2.88Å; W91-L94 PolarHBondContact O-N 3.32Å; L94-E97 PolarHBondContact O-N 3.14Å; L94-S98 VanDerWaalsContact O-CB 3.29Å; L94-S98 WeakPolarHBondContact O-CB 3.03Å; L94-S98 PolarHBondContact O-N 3.06Å |
| 95 | K | 65.1 | Low | 60.7 | Low | 37 Ų | 37 | 105.2 Ų | 105.2 | 16% | 0.161 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 173.5 | 179.6 | 175.4 | 167.8 | -167.3 | 0 | 110.3 | W91 E92 K93 E97 S98 R99 | W91-K95 VanDerWaalsContact O-CB 3.27Å; W91-K95 WeakPolarHBondContact O-CB 2.99Å; W91-K95 PolarHBondContact O-N 3.44Å; E92-K95 IonicContact OE1-NZ 2.84Å; E92-K95 PolarHBondContact OE1-NZ 3.33Å; E92-K95 IonicContact OE2-NZ 3.4Å; E92-K95 PolarHBondContact OE2-NZ 3.3Å; K93-K95 VanDerWaalsContact C-N 3.32Å; K93-K95 PolarHBondContact O-N 2.94Å; K95-E97 VanDerWaalsContact C-N 3.31Å; K95-E97 PolarHBondContact O-N 3.07Å; K95-S98 PolarHBondContact O-N 2.72Å; K95-R99 VanDerWaalsContact CE-NH2 3.29Å; K95-R99 VanDerWaalsContact O-CG 3.22Å; K95-R99 WeakPolarHBondContact O-CG 3.15Å; K95-R99 PolarHBondContact O-N 2.93Å |
| 96 | K | 67.6 | Low | 61.3 | Low | 152 Ų | 152 | 97.3 Ų | 97.3 | 66% | 0.661 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -56.7 | -44.2 | 176.1 | -176.7 | 179.4 | 179.1 | -179.6 | 0 | 112.2 | E92 K93 R99 N100 | E92-K96 WeakPolarHBondContact O-CB 3.38Å; E92-K96 PolarHBondContact O-N 2.96Å; K93-K96 WeakPolarHBondContact O-CB 3.47Å; K93-K96 PolarHBondContact O-N 3.41Å; K96-R99 PolarHBondContact O-N 2.96Å; K96-N100 PolarHBondContact O-N 2.92Å |
| 97 | E | 65.9 | Low | 62 | Low | 105 Ų | 105 | 98.3 Ų | 98.3 | 49% | 0.491 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 175.7 | -70.6 | -59.9 | 153 | 0 | 0 | 111.7 | K93 L94 K95 R99 N100 L101 | K93-E97 WeakPolarHBondContact O-CG 2.89Å; K93-E97 PolarHBondContact O-N 3.12Å; L94-E97 PolarHBondContact O-N 3.14Å; K95-E97 VanDerWaalsContact C-N 3.31Å; K95-E97 PolarHBondContact O-N 3.07Å; E97-R99 VanDerWaalsContact C-N 3.26Å; E97-R99 PolarHBondContact O-N 3Å; E97-N100 CarbonylContact O-C 3.46Å; E97-N100 WeakPolarHBondContact O-CA 3.21Å; E97-N100 WeakPolarHBondContact O-CB 3.1Å; E97-N100 PolarHBondContact O-N 3.42Å; E97-L101 PolarHBondContact O-N 2.94Å |
| 98 | S | 62.8 | Low | 62 | Low | 56 Ų | 56 | 99.5 Ų | 99.5 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.8 | -34.9 | 175.7 | -180 | 0 | 0 | 0 | 0 | 112.6 | L94 K95 N100 L101 | L94-S98 VanDerWaalsContact O-CB 3.29Å; L94-S98 WeakPolarHBondContact O-CB 3.03Å; L94-S98 PolarHBondContact O-N 3.06Å; K95-S98 PolarHBondContact O-N 2.72Å; S98-N100 VanDerWaalsContact C-N 3.26Å; S98-N100 PolarHBondContact O-N 2.04Å; S98-L101 PolarHBondContact O-N 3.48Å |
| 99 | R | 60.4 | Low | 62.2 | Low | 136 Ų | 136 | 102.3 Ų | 102.3 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69 | -25.1 | 174.2 | -66.7 | -171.9 | 177 | -171.5 | -4.6 | 113 | K95 K96 E97 F108 | K95-R99 VanDerWaalsContact CE-NH2 3.29Å; K95-R99 VanDerWaalsContact O-CG 3.22Å; K95-R99 WeakPolarHBondContact O-CG 3.15Å; K95-R99 PolarHBondContact O-N 2.93Å; K96-R99 PolarHBondContact O-N 2.96Å; E97-R99 VanDerWaalsContact C-N 3.26Å; E97-R99 PolarHBondContact O-N 3Å; R99-F108 HydrophobicContact CB-CE1 3.98Å; R99-F108 HydrophobicContact CB-CZ 4.13Å; R99-F108 HydrophobicContact CG-CD1 4.48Å; R99-F108 HydrophobicContact CG-CE1 3.69Å; R99-F108 HydrophobicContact CG-CE2 3.77Å; R99-F108 HydrophobicContact CG-CZ 3.32Å |
| 100 | N | 63.4 | Low | 62.4 | Low | 115 Ų | 115 | 101 Ų | 101 | 62% | 0.615 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -88.7 | -8.5 | 179.6 | -167.3 | 46.4 | 0 | 0 | 0 | 112.5 | K96 E97 S98 N102 | K96-N100 PolarHBondContact O-N 2.92Å; E97-N100 CarbonylContact O-C 3.46Å; E97-N100 WeakPolarHBondContact O-CA 3.21Å; E97-N100 WeakPolarHBondContact O-CB 3.1Å; E97-N100 PolarHBondContact O-N 3.42Å; S98-N100 VanDerWaalsContact C-N 3.26Å; S98-N100 PolarHBondContact O-N 2.04Å; N100-N102 PolarHBondContact O-N 3.28Å; N100-N102 VanDerWaalsContact O-N 3.08Å |
| 101 | L | 59 | Low | 62.8 | Low | 96 Ų | 96 | 96.6 Ų | 96.6 | 50% | 0.503 | 47% | 0.469 | S | S | . | . | trans | -69.3 | 107.5 | 176 | -66.9 | 175.5 | 0 | 0 | 0 | 110 | E97 S98 F103 | E97-L101 PolarHBondContact O-N 2.94Å; S98-L101 PolarHBondContact O-N 3.48Å; L101-F103 HydrophobicContact CB-CD2 4.03Å; L101-F103 PolarHBondContact O-N 3.42Å | ||
| 102 | N | 50.8 | Low | 62.5 | Low | 161 Ų | 161 | 96.3 Ų | 96.3 | 86% | 0.861 | 48% | 0.481 | S | S | * | . | trans | -75.9 | 50.2 | -179.9 | -125.5 | -58.4 | 0 | 0 | 0 | 112 | N100 R104 | N100-N102 PolarHBondContact O-N 3.28Å; N100-N102 VanDerWaalsContact O-N 3.08Å; N102-R104 PolarHBondContact O-N 2.82Å | ||
| 103 | F | 48.7 | Very low | 62.2 | Low | 140 Ų | 140 | 93.1 Ų | 93.1 | 61% | 0.614 | 47% | 0.47 | S | S | * | . | trans | -84.5 | 107 | 173.4 | -83.6 | -75.4 | 0 | 0 | 0 | 109.8 | L101 G105 S106 | L101-F103 HydrophobicContact CB-CD2 4.03Å; L101-F103 PolarHBondContact O-N 3.42Å; F103-G105 PolarHBondContact O-N 3.39Å; F103-S106 PolarHBondContact O-N 3.34Å; F103-S106 VanDerWaalsContact O-N 3.14Å; F103-S106 PolarHBondContact O-OG 3.19Å | ||
| 104 | R | 46.5 | Very low | 61.4 | Low | 239 Ų | 239 | 90.4 Ų | 90.4 | 90% | 0.902 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 111.4 | 168.5 | -69.1 | -175.6 | 177.3 | -163 | -1 | 108.8 | N102 | N102-R104 PolarHBondContact O-N 2.82Š|
| 105 | G | 56.5 | Low | 60.7 | Low | 50 Ų | 50 | 92.3 Ų | 92.3 | 52% | 0.515 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | 17.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116 | F103 E109 | F103-G105 PolarHBondContact O-N 3.39Å; G105-E109 PolarHBondContact N-OE2 3.44Å |
| 106 | S | 64.8 | Low | 59.9 | Low | 35 Ų | 35 | 93.1 Ų | 93.1 | 25% | 0.245 | 51% | 0.509 | C | S | . | . | trans | -69.3 | 149.2 | 170.1 | 67.3 | 0 | 0 | 0 | 0 | 111.9 | F103 F108 E109 L110 | F103-S106 PolarHBondContact O-N 3.34Å; F103-S106 VanDerWaalsContact O-N 3.14Å; F103-S106 PolarHBondContact O-OG 3.19Å; S106-F108 PolarHBondContact O-N 3.13Å; S106-F108 VanDerWaalsContact O-N 3.12Å; S106-E109 WeakPolarHBondContact O-CB 3.35Å; S106-E109 PolarHBondContact O-N 3.26Å; S106-E109 PolarHBondContact OG-N 2.96Å; S106-L110 WeakPolarHBondContact O-CG 3.03Å; S106-L110 PolarHBondContact O-N 2.96Å | ||
| 107 | L | 69.4 | Low | 58.6 | Low | 57 Ų | 57 | 90 Ų | 90 | 30% | 0.298 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -54.4 | -30.6 | 172.8 | -75.7 | 157.2 | 0 | 0 | 0 | 111.9 | I65 W69 C111 | I65-L107 HydrophobicContact CG2-CD2 3.26Å; W69-L107 HydrophobicContact CB-CD2 4.35Å; W69-L107 HydrophobicContact CD2-CB 3.68Å; W69-L107 HydrophobicContact CD2-CD1 4.35Å; W69-L107 HydrophobicContact CD2-CG 4.46Å; W69-L107 HydrophobicContact CE3-CB 3.8Å; W69-L107 HydrophobicContact CE3-CD1 3.67Å; W69-L107 HydrophobicContact CE3-CG 4.25Å; W69-L107 HydrophobicContact CG-CB 4.1Å; W69-L107 HydrophobicContact CH2-CB 4.44Å; W69-L107 HydrophobicContact CZ2-CB 4.36Å; W69-L107 HydrophobicContact CZ3-CB 4.18Å; W69-L107 HydrophobicContact CZ3-CD1 4Å; L107-C111 WeakPolarHBondContact O-CA 3.44Å; L107-C111 WeakPolarHBondContact O-CB 3.21Å; L107-C111 PolarHBondContact O-N 3.39Å |
| 108 | F | 62.9 | Low | 57.6 | Low | 57 Ų | 57 | 89.8 Ų | 89.8 | 25% | 0.25 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 174.6 | -165.6 | -93.2 | 0 | 0 | 0 | 112.6 | R99 S106 G112 | R99-F108 HydrophobicContact CB-CE1 3.98Å; R99-F108 HydrophobicContact CB-CZ 4.13Å; R99-F108 HydrophobicContact CG-CD1 4.48Å; R99-F108 HydrophobicContact CG-CE1 3.69Å; R99-F108 HydrophobicContact CG-CE2 3.77Å; R99-F108 HydrophobicContact CG-CZ 3.32Å; S106-F108 PolarHBondContact O-N 3.13Å; S106-F108 VanDerWaalsContact O-N 3.12Å; F108-G112 WeakPolarHBondContact O-CA 3.48Å; F108-G112 PolarHBondContact O-N 3.29Å |
| 109 | E | 66.4 | Low | 57 | Low | 116 Ų | 116 | 93.7 Ų | 93.7 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -75.4 | -44.3 | 175.7 | -168.7 | -174.4 | 172.6 | 0 | 0 | 111.7 | G105 S106 C111 | G105-E109 PolarHBondContact N-OE2 3.44Å; S106-E109 WeakPolarHBondContact O-CB 3.35Å; S106-E109 PolarHBondContact O-N 3.26Å; S106-E109 PolarHBondContact OG-N 2.96Å; E109-C111 PolarHBondContact O-N 3.15Å |
| 110 | L | 67.9 | Low | 56.6 | Low | 90 Ų | 90 | 92.2 Ų | 92.2 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.9 | -34.5 | -177 | -66.5 | 172.2 | 0 | 0 | 0 | 112.5 | S106 | S106-L110 WeakPolarHBondContact O-CG 3.03Å; S106-L110 PolarHBondContact O-N 2.96Å |
| 111 | C | 72.6 | Confident | 56 | Low | 19 Ų | 19 | 90.2 Ų | 90.2 | 13% | 0.128 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -119.9 | -1.7 | -172 | -52.7 | 0 | 0 | 0 | 0 | 113.9 | C66 W69 L107 E109 G113 | C66-C111 WeakPolarHBondContact CA-SG 3.42Å; C66-C111 HydrophobicContact CB-CB 3.58Å; C66-C111 WeakPolarHBondContact CB-SG 3.45Å; C66-C111 VanDerWaalsContact SG-CA 3.51Å; C66-C111 WeakPolarHBondContact SG-CB 3.27Å; C66-C111 CovalentContact SG-SG 2.04Å; C66-C111 PolarHBondContact SG-SG 2.83Å; W69-C111 HydrophobicContact CG-CB 4.43Å; L107-C111 WeakPolarHBondContact O-CA 3.44Å; L107-C111 WeakPolarHBondContact O-CB 3.21Å; L107-C111 PolarHBondContact O-N 3.39Å; E109-C111 PolarHBondContact O-N 3.15Å; C111-G113 PolarHBondContact O-N 3.09Å |
| 112 | G | 61 | Low | 55.6 | Low | 40 Ų | 40 | 94.4 Ų | 94.4 | 41% | 0.412 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -71 | 11.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | F108 R119 | F108-G112 WeakPolarHBondContact O-CA 3.48Å; F108-G112 PolarHBondContact O-N 3.29Å; G112-R119 PolarHBondContact O-NH1 2.94Å |
| 113 | G | 58.2 | Low | 55.5 | Low | 16 Ų | 16 | 89 Ų | 89 | 17% | 0.165 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -131.9 | 105.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | C111 N115 R119 | C111-G113 PolarHBondContact O-N 3.09Å; G113-N115 CarbonylContact O-C 3.59Å; G113-N115 PolarHBondContact O-N 3.04Å; G113-N115 VanDerWaalsContact O-O 3.13Å; G113-R119 VanDerWaalsContact CA-NH2 3.33Å |
| 114 | G | 55 | Low | 55.6 | Low | 75 Ų | 75 | 87.8 Ų | 87.8 | 77% | 0.773 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -44.4 | 127.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 115 | N | 49.6 | Very low | 55.5 | Low | 147 Ų | 147 | 78.3 Ų | 78.3 | 79% | 0.786 | 50% | 0.497 | S | S | * | . | S | Bend | trans | 83.7 | 105 | -163.7 | -53.9 | -17.4 | 0 | 0 | 0 | 113 | G113 S117 | G113-N115 CarbonylContact O-C 3.59Å; G113-N115 PolarHBondContact O-N 3.04Å; G113-N115 VanDerWaalsContact O-O 3.13Å; N115-S117 PolarHBondContact O-N 2.93Å |
| 116 | G | 48.8 | Very low | 55.2 | Low | 53 Ų | 53 | 82.4 Ų | 82.4 | 55% | 0.546 | 51% | 0.507 | S | S | . | . | trans | -54.4 | 64.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 117 | S | 39.7 | Very low | 54.6 | Low | 86 Ų | 86 | 86.1 Ų | 86.1 | 60% | 0.601 | 52% | 0.523 | S | S | * | . | trans | -98.2 | 114.7 | 168.7 | -173.5 | 0 | 0 | 0 | 0 | 106.2 | N115 R119 | N115-S117 PolarHBondContact O-N 2.93Å; S117-R119 PolarHBondContact O-N 2.62Å | ||
| 118 | P | 44.7 | Very low | 53.8 | Low | 101 Ų | 101 | 88.9 Ų | 88.9 | 66% | 0.656 | 54% | 0.538 | S | S | * | . | trans | -58.8 | 112.6 | 172.7 | 23.8 | -30 | 0 | 0 | 0 | 107.2 | S120 | P118-S120 PolarHBondContact O-N 3.09Š| ||
| 119 | R | 51.5 | Low | 53.4 | Low | 139 Ų | 139 | 91.2 Ų | 91.2 | 53% | 0.525 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.5 | 8.8 | 176.8 | -80.9 | -169.4 | 177 | 104.5 | -6.5 | 113.6 | G112 G113 S117 A121 R122 | G112-R119 PolarHBondContact O-NH1 2.94Å; G113-R119 VanDerWaalsContact CA-NH2 3.33Å; S117-R119 PolarHBondContact O-N 2.62Å; R119-A121 PolarHBondContact O-N 3.29Å; R119-A121 VanDerWaalsContact O-N 3.09Å; R119-R122 PolarHBondContact O-N 2.86Å |
| 120 | S | 52.3 | Low | 52.7 | Low | 104 Ų | 104 | 88.1 Ų | 88.1 | 73% | 0.727 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -10.1 | 176.2 | -165.9 | 0 | 0 | 0 | 0 | 114.6 | P118 | P118-S120 PolarHBondContact O-N 3.09Š|
| 121 | A | 48.8 | Very low | 52.1 | Low | 74 Ų | 74 | 89 Ų | 89 | 61% | 0.612 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -88.4 | -16.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R119 G125 | R119-A121 PolarHBondContact O-N 3.29Å; R119-A121 VanDerWaalsContact O-N 3.09Å; A121-G125 PolarHBondContact O-N 3.29Å |
| 122 | R | 51.4 | Low | 51.3 | Low | 184 Ų | 184 | 92.1 Ų | 92.1 | 69% | 0.694 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -80.6 | -24.7 | -175.5 | -72 | -173.7 | 176.8 | -177.1 | -1.3 | 113.9 | R119 | R119-R122 PolarHBondContact O-N 2.86Å |
| 123 | G | 48 | Very low | 51 | Low | 48 Ų | 48 | 94.6 Ų | 94.6 | 50% | 0.495 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -77.1 | -33.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L127 | G123-L127 PolarHBondContact O-N 3.48Å |
| 124 | L | 50.9 | Low | 50.9 | Low | 113 Ų | 113 | 98.2 Ų | 98.2 | 59% | 0.592 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -75.4 | -33.7 | -179.2 | -153.8 | 75.9 | 0 | 0 | 0 | 112.2 | L126 L127 L128 | L124-L126 PolarHBondContact O-N 3.49Å; L124-L127 PolarHBondContact O-N 3.42Å; L124-L128 HydrophobicContact CG-CD1 4.34Å; L124-L128 PolarHBondContact O-N 3.3Å; L124-L128 VanDerWaalsContact O-N 3.13Å |
| 125 | G | 45.2 | Very low | 50.9 | Low | 40 Ų | 40 | 100.6 Ų | 100.6 | 41% | 0.412 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.7 | -34.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | A121 | A121-G125 PolarHBondContact O-N 3.29Å |
| 126 | L | 50.3 | Low | 51.2 | Low | 136 Ų | 136 | 98 Ų | 98 | 71% | 0.712 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -74.3 | -31.2 | 174.7 | -101.5 | 92.9 | 0 | 0 | 0 | 112.9 | L124 T129 | L124-L126 PolarHBondContact O-N 3.49Å; L126-T129 PolarHBondContact O-OG1 3.1Å; L126-T129 VanDerWaalsContact O-OG1 3.1Å |
| 127 | L | 52.6 | Low | 51.4 | Low | 113 Ų | 113 | 105.9 Ų | 105.9 | 59% | 0.592 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71.4 | -37.4 | 177.7 | -92.5 | 154.8 | 0 | 0 | 0 | 112 | G123 L124 T129 A130 L131 | G123-L127 PolarHBondContact O-N 3.48Å; L124-L127 PolarHBondContact O-N 3.42Å; L127-T129 VanDerWaalsContact C-N 3.32Å; L127-T129 PolarHBondContact O-N 3.29Å; L127-A130 PolarHBondContact O-N 3.13Å; L127-L131 WeakPolarHBondContact O-CD1 3.38Å |
| 128 | L | 52.3 | Low | 52.1 | Low | 116 Ų | 116 | 108.7 Ų | 108.7 | 61% | 0.607 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -71.4 | -23.4 | -178.9 | -79.5 | 158.3 | 0 | 0 | 0 | 113.9 | L124 A130 | L124-L128 HydrophobicContact CG-CD1 4.34Å; L124-L128 PolarHBondContact O-N 3.3Å; L124-L128 VanDerWaalsContact O-N 3.13Å; L128-A130 VanDerWaalsContact C-N 3.34Å |
| 129 | T | 54.4 | Low | 52.5 | Low | 105 Ų | 105 | 107.6 Ų | 107.6 | 64% | 0.644 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -10.4 | 175.7 | 52 | 0 | 0 | 0 | 0 | 113.9 | L126 L127 | L126-T129 PolarHBondContact O-OG1 3.1Å; L126-T129 VanDerWaalsContact O-OG1 3.1Å; L127-T129 VanDerWaalsContact C-N 3.32Å; L127-T129 PolarHBondContact O-N 3.29Å |
| 130 | A | 52.6 | Low | 52.5 | Low | 52 Ų | 52 | 113.5 Ų | 113.5 | 43% | 0.43 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.2 | -13.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L127 L128 T133 | L127-A130 PolarHBondContact O-N 3.13Å; L128-A130 VanDerWaalsContact C-N 3.34Å; A130-T133 PolarHBondContact O-OG1 3.21Å |
| 131 | L | 54.3 | Low | 52.5 | Low | 107 Ų | 107 | 114 Ų | 114 | 56% | 0.56 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -71.4 | -31.8 | 179.3 | -95.3 | 92.1 | 0 | 0 | 0 | 115.9 | L127 T133 V134 | L127-L131 WeakPolarHBondContact O-CD1 3.38Å; L131-T133 VanDerWaalsContact C-N 3.26Å; L131-T133 PolarHBondContact O-N 3.45Å; L131-V134 PolarHBondContact O-N 3.39Å |
| 132 | P | 56.7 | Low | 52.7 | Low | 86 Ų | 86 | 116.1 Ų | 116.1 | 56% | 0.558 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -24.6 | -175.9 | -18.6 | 30.3 | 0 | 0 | 0 | 113.7 | ||
| 133 | T | 53.9 | Low | 52.8 | Low | 91 Ų | 91 | 112.3 Ų | 112.3 | 56% | 0.558 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -12.9 | -176.2 | 46.2 | 0 | 0 | 0 | 0 | 113.9 | A130 L131 T136 W137 | A130-T133 PolarHBondContact O-OG1 3.21Å; L131-T133 VanDerWaalsContact C-N 3.26Å; L131-T133 PolarHBondContact O-N 3.45Å; T133-T136 PolarHBondContact O-OG1 3.28Å; T133-W137 VanDerWaalsContact O-CD1 3.23Å |
| 134 | V | 56.2 | Low | 53.1 | Low | 93 Ų | 93 | 116.1 Ų | 116.1 | 56% | 0.564 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -30.9 | 177.9 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | L131 T136 W137 | L131-V134 PolarHBondContact O-N 3.39Å; V134-T136 VanDerWaalsContact C-N 3.31Å; V134-T136 PolarHBondContact O-N 3.37Å; V134-W137 PolarHBondContact O-N 3.32Å |
| 135 | L | 55.6 | Low | 53.2 | Low | 125 Ų | 125 | 116.3 Ų | 116.3 | 65% | 0.654 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -16.7 | -177.4 | -78.4 | 164.2 | 0 | 0 | 0 | 114.3 | ||
| 136 | T | 55.9 | Low | 53.8 | Low | 93 Ų | 93 | 121.3 Ų | 121.3 | 57% | 0.571 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -15.7 | 175.5 | 40.6 | 0 | 0 | 0 | 0 | 114 | T133 V134 | T133-T136 PolarHBondContact O-OG1 3.28Å; V134-T136 VanDerWaalsContact C-N 3.31Å; V134-T136 PolarHBondContact O-N 3.37Å |
| 137 | W | 52.9 | Low | 54 | Low | 217 Ų | 217 | 120.3 Ų | 120.3 | 82% | 0.822 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -90.8 | -12.1 | 177.3 | -68.5 | 89.6 | 0 | 0 | 0 | 114 | T133 V134 | T133-W137 VanDerWaalsContact O-CD1 3.23Å; V134-W137 PolarHBondContact O-N 3.32Å |
| 138 | L | 54.1 | Low | 54.1 | Low | 145 Ų | 145 | 120.8 Ų | 120.8 | 76% | 0.759 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -91.3 | 3 | 177.4 | -80.9 | 163.6 | 0 | 0 | 0 | 113.4 | ||
| 139 | A | 53.2 | Low | 54.3 | Low | 79 Ų | 79 | 121.3 Ų | 121.3 | 65% | 0.653 | 66% | 0.66 | S | S | * | * | trans | -110.1 | 13 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 140 | F | 51.3 | Low | 54.2 | Low | 262 Ų | 262 | 122.7 Ų | 122.7 | 100% | 1.149 | 66% | 0.662 | S | S | * | * | trans | -129.8 | 0 | 172.5 | -83.8 | -84.2 | 0 | 0 | 0 | 111.6 |
Retrieved 140 of 140 residues in 34.7 ms
(Link to these results)