| 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 | 50.7 | Low | 60.8 | Low | 179 Ų | 179 | 105.1 Ų | 105.1 | 88% | 0.882 | 56% | 0.562 | S | S | * | * | 0 | -45.9 | 0 | -88.1 | 161.4 | 137.1 | 0 | 0 | 111.5 | V3 T4 H5 | M1-V3 PolarHBondContact O-N 3.28Å; M1-T4 PolarHBondContact O-N 3.36Å; M1-T4 PolarHBondContact O-OG1 3.26Å; M1-H5 PolarHBondContact O-CD2 3.04Å; M1-H5 PolarHBondContact O-N 3.19Å | |||
| 2 | F | 45.7 | Very low | 62.1 | Low | 191 Ų | 191 | 104.5 Ų | 104.5 | 84% | 0.838 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -56.4 | -42.3 | 176.6 | -81.4 | -87.1 | 0 | 0 | 0 | 115.2 | T4 H5 S6 | F2-T4 PolarHBondContact O-N 3.08Å; F2-H5 PolarHBondContact O-N 3.2Å; F2-S6 WeakPolarHBondContact O-CB 3.44Å; F2-S6 PolarHBondContact O-N 2.95Å |
| 3 | V | 53.5 | Low | 63 | Low | 121 Ų | 121 | 100.5 Ų | 100.5 | 73% | 0.733 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.1 | -37.1 | -178.3 | -178.2 | 0 | 0 | 0 | 0 | 112.7 | M1 S6 L7 | M1-V3 PolarHBondContact O-N 3.28Å; V3-S6 PolarHBondContact O-N 3.36Å; V3-L7 WeakPolarHBondContact O-CB 3.4Å; V3-L7 PolarHBondContact O-N 2.91Å |
| 4 | T | 56.1 | Low | 63.4 | Low | 57 Ų | 57 | 96.9 Ų | 96.9 | 35% | 0.35 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70 | -36.7 | 176.6 | 45.7 | 0 | 0 | 0 | 0 | 111.8 | M1 F2 A8 I92 | M1-T4 PolarHBondContact O-N 3.36Å; M1-T4 PolarHBondContact O-OG1 3.26Å; F2-T4 PolarHBondContact O-N 3.08Å; T4-A8 WeakPolarHBondContact O-CB 3.27Å; T4-A8 PolarHBondContact O-N 3.22Å; T4-I92 HydrophobicContact CG2-CD1 3.72Å; T4-I92 HydrophobicContact CG2-CG2 4.29Å |
| 5 | H | 58.3 | Low | 63.6 | Low | 119 Ų | 119 | 93 Ų | 93 | 55% | 0.551 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.2 | -40.9 | 172.5 | -78.9 | -70.6 | 0 | 0 | 0 | 111.9 | M1 F2 L7 A8 L9 | M1-H5 PolarHBondContact O-CD2 3.04Å; M1-H5 PolarHBondContact O-N 3.19Å; F2-H5 PolarHBondContact O-N 3.2Å; H5-L7 VanDerWaalsContact C-N 3.34Å; H5-L7 PolarHBondContact O-N 3.16Å; H5-A8 PolarHBondContact O-N 3.18Å; H5-L9 VanDerWaalsContact O-CB 3.29Å; H5-L9 WeakPolarHBondContact O-CB 3.35Å; H5-L9 WeakPolarHBondContact O-CD1 3.29Å; H5-L9 VanDerWaalsContact O-CG 3.29Å; H5-L9 WeakPolarHBondContact O-CG 3.33Å; H5-L9 PolarHBondContact O-N 3.36Å |
| 6 | S | 61 | Low | 64.2 | Low | 70 Ų | 70 | 93.6 Ų | 93.6 | 49% | 0.49 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 174.3 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | F2 V3 L9 T10 | F2-S6 WeakPolarHBondContact O-CB 3.44Å; F2-S6 PolarHBondContact O-N 2.95Å; V3-S6 PolarHBondContact O-N 3.36Å; S6-L9 PolarHBondContact O-N 3.36Å; S6-T10 WeakPolarHBondContact O-CG2 3.47Å; S6-T10 PolarHBondContact O-N 3.49Å; S6-T10 PolarHBondContact O-OG1 2.66Å; S6-T10 VanDerWaalsContact O-OG1 3.11Å |
| 7 | L | 60.8 | Low | 64.2 | Low | 88 Ų | 88 | 93.8 Ų | 93.8 | 46% | 0.461 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.6 | -43 | 179.3 | -166.7 | 85.9 | 0 | 0 | 0 | 111.8 | V3 H5 L9 T10 F11 V88 | V3-L7 WeakPolarHBondContact O-CB 3.4Å; V3-L7 PolarHBondContact O-N 2.91Å; H5-L7 VanDerWaalsContact C-N 3.34Å; H5-L7 PolarHBondContact O-N 3.16Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-T10 VanDerWaalsContact C-OG1 3.3Å; L7-T10 VanDerWaalsContact CA-OG1 3.26Å; L7-T10 WeakPolarHBondContact CA-OG1 3.45Å; L7-T10 PolarHBondContact O-N 2.86Å; L7-T10 PolarHBondContact O-OG1 3.39Å; L7-F11 PolarHBondContact O-N 3.44Å; L7-V88 HydrophobicContact CD2-CG1 3.55Å |
| 8 | A | 69.5 | Low | 63.8 | Low | 48 Ų | 48 | 97.1 Ų | 97.1 | 40% | 0.397 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T4 H5 F11 I12 | T4-A8 WeakPolarHBondContact O-CB 3.27Å; T4-A8 PolarHBondContact O-N 3.22Å; H5-A8 PolarHBondContact O-N 3.18Å; A8-F11 PolarHBondContact O-N 3.18Å; A8-I12 VanDerWaalsContact O-CG1 3.27Å; A8-I12 WeakPolarHBondContact O-CG1 3.29Å; A8-I12 PolarHBondContact O-N 2.79Å |
| 9 | L | 70.1 | Confident | 63.7 | Low | 114 Ų | 114 | 99.4 Ų | 99.4 | 60% | 0.597 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.4 | -41.9 | 174.9 | -80.5 | 163.3 | 0 | 0 | 0 | 112 | H5 S6 L7 F11 I12 A13 | H5-L9 VanDerWaalsContact O-CB 3.29Å; H5-L9 WeakPolarHBondContact O-CB 3.35Å; H5-L9 WeakPolarHBondContact O-CD1 3.29Å; H5-L9 VanDerWaalsContact O-CG 3.29Å; H5-L9 WeakPolarHBondContact O-CG 3.33Å; H5-L9 PolarHBondContact O-N 3.36Å; S6-L9 PolarHBondContact O-N 3.36Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-F11 PolarHBondContact O-N 3.32Å; L9-I12 PolarHBondContact O-N 3.02Å; L9-A13 VanDerWaalsContact O-CB 3.27Å; L9-A13 WeakPolarHBondContact O-CB 3.08Å; L9-A13 PolarHBondContact O-N 3.11Å |
| 10 | T | 74 | Confident | 63.5 | Low | 79 Ų | 79 | 98.6 Ų | 98.6 | 49% | 0.485 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.5 | -35.2 | 175.9 | 46.3 | 0 | 0 | 0 | 0 | 112.6 | S6 L7 A14 | S6-T10 WeakPolarHBondContact O-CG2 3.47Å; S6-T10 PolarHBondContact O-N 3.49Å; S6-T10 PolarHBondContact O-OG1 2.66Å; S6-T10 VanDerWaalsContact O-OG1 3.11Å; L7-T10 VanDerWaalsContact C-OG1 3.3Å; L7-T10 VanDerWaalsContact CA-OG1 3.26Å; L7-T10 WeakPolarHBondContact CA-OG1 3.45Å; L7-T10 PolarHBondContact O-N 2.86Å; L7-T10 PolarHBondContact O-OG1 3.39Å; T10-A14 VanDerWaalsContact O-CB 3.29Å; T10-A14 WeakPolarHBondContact O-CB 3.29Å; T10-A14 PolarHBondContact O-N 3Å |
| 11 | F | 69.4 | Low | 62.9 | Low | 90 Ų | 90 | 97.4 Ų | 97.4 | 40% | 0.395 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71.1 | -40.6 | 177.7 | -163.6 | -96.7 | 0 | 0 | 0 | 111.7 | L7 A8 L9 A14 A15 A81 | L7-F11 PolarHBondContact O-N 3.44Å; A8-F11 PolarHBondContact O-N 3.18Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-F11 PolarHBondContact O-N 3.32Å; F11-A14 PolarHBondContact O-N 3.35Å; F11-A15 WeakPolarHBondContact O-CB 3.15Å; F11-A15 PolarHBondContact O-N 3.04Å; F11-A81 HydrophobicContact CE1-CB 3.93Å; F11-A81 HydrophobicContact CZ-CB 3.68Å |
| 12 | I | 76.3 | Confident | 62.7 | Low | 98 Ų | 98 | 96.5 Ų | 96.5 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.8 | -43.5 | 173.9 | -68.3 | 166.5 | 0 | 0 | 0 | 110.7 | A8 L9 A15 L16 | A8-I12 VanDerWaalsContact O-CG1 3.27Å; A8-I12 WeakPolarHBondContact O-CG1 3.29Å; A8-I12 PolarHBondContact O-N 2.79Å; L9-I12 PolarHBondContact O-N 3.02Å; I12-A15 PolarHBondContact O-N 2.8Å; I12-L16 HydrophobicContact CG2-CD1 3.78Å; I12-L16 WeakPolarHBondContact O-CB 3.49Å; I12-L16 WeakPolarHBondContact O-CD1 3.27Å; I12-L16 PolarHBondContact O-N 2.92Å |
| 13 | A | 72.9 | Confident | 62.8 | Low | 52 Ų | 52 | 91.9 Ų | 91.9 | 43% | 0.43 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L9 L16 C17 | L9-A13 VanDerWaalsContact O-CB 3.27Å; L9-A13 WeakPolarHBondContact O-CB 3.08Å; L9-A13 PolarHBondContact O-N 3.11Å; A13-L16 PolarHBondContact O-N 3.11Å; A13-C17 WeakPolarHBondContact O-CB 3.23Å; A13-C17 PolarHBondContact O-N 3.41Å |
| 14 | A | 69.1 | Low | 62.2 | Low | 50 Ų | 50 | 92 Ų | 92 | 41% | 0.413 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.4 | -40.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T10 F11 C17 L18 | T10-A14 VanDerWaalsContact O-CB 3.29Å; T10-A14 WeakPolarHBondContact O-CB 3.29Å; T10-A14 PolarHBondContact O-N 3Å; F11-A14 PolarHBondContact O-N 3.35Å; A14-C17 PolarHBondContact O-N 3.48Å; A14-L18 WeakPolarHBondContact O-CG 3.46Å; A14-L18 PolarHBondContact O-N 2.85Å |
| 15 | A | 66.9 | Low | 61.1 | Low | 39 Ų | 39 | 95.8 Ų | 95.8 | 32% | 0.322 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.6 | -44.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F11 I12 C17 L18 I19 | F11-A15 WeakPolarHBondContact O-CB 3.15Å; F11-A15 PolarHBondContact O-N 3.04Å; I12-A15 PolarHBondContact O-N 2.8Å; A15-C17 VanDerWaalsContact C-N 3.34Å; A15-C17 PolarHBondContact O-N 3.42Å; A15-L18 PolarHBondContact O-N 3.49Å; A15-I19 WeakPolarHBondContact O-CD1 3.41Å; A15-I19 PolarHBondContact O-N 3.41Å |
| 16 | L | 72.4 | Confident | 60.4 | Low | 103 Ų | 103 | 95.8 Ų | 95.8 | 54% | 0.539 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.2 | -39.7 | 174.1 | -82.5 | 154.1 | 0 | 0 | 0 | 112.3 | I12 A13 L18 I19 S20 | I12-L16 HydrophobicContact CG2-CD1 3.78Å; I12-L16 WeakPolarHBondContact O-CB 3.49Å; I12-L16 WeakPolarHBondContact O-CD1 3.27Å; I12-L16 PolarHBondContact O-N 2.92Å; A13-L16 PolarHBondContact O-N 3.11Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L18 PolarHBondContact O-N 2.93Å; L16-I19 PolarHBondContact O-N 3.27Å; L16-S20 WeakPolarHBondContact O-CB 3.48Å; L16-S20 PolarHBondContact O-N 2.81Å; L16-S20 PolarHBondContact O-OG 3.44Å |
| 17 | C | 63.9 | Low | 59 | Low | 97 Ų | 97 | 97 Ų | 97 | 66% | 0.655 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65 | -33.9 | 174 | -91.5 | 0 | 0 | 0 | 0 | 113.4 | A13 A14 A15 | A13-C17 WeakPolarHBondContact O-CB 3.23Å; A13-C17 PolarHBondContact O-N 3.41Å; A14-C17 PolarHBondContact O-N 3.48Å; A15-C17 VanDerWaalsContact C-N 3.34Å; A15-C17 PolarHBondContact O-N 3.42Å |
| 18 | L | 58.4 | Low | 57.8 | Low | 152 Ų | 152 | 98.4 Ų | 98.4 | 80% | 0.796 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75.4 | -28.4 | 176.6 | -70 | 172 | 0 | 0 | 0 | 112.6 | A14 A15 L16 | A14-L18 WeakPolarHBondContact O-CG 3.46Å; A14-L18 PolarHBondContact O-N 2.85Å; A15-L18 PolarHBondContact O-N 3.49Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L18 PolarHBondContact O-N 2.93Å |
| 19 | I | 61.1 | Low | 56.1 | Low | 141 Ų | 141 | 100.4 Ų | 100.4 | 72% | 0.723 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -75.6 | -37.5 | 172 | -85 | 110 | 0 | 0 | 0 | 111.7 | A15 L16 G21 | A15-I19 WeakPolarHBondContact O-CD1 3.41Å; A15-I19 PolarHBondContact O-N 3.41Å; L16-I19 PolarHBondContact O-N 3.27Å; I19-G21 PolarHBondContact O-N 3.42Å |
| 20 | S | 59.7 | Low | 54.4 | Low | 84 Ų | 84 | 100.5 Ų | 100.5 | 59% | 0.587 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -87.5 | 41.7 | 179.6 | -69.1 | 0 | 0 | 0 | 0 | 113.1 | L16 E22 | L16-S20 WeakPolarHBondContact O-CB 3.48Å; L16-S20 PolarHBondContact O-N 2.81Å; L16-S20 PolarHBondContact O-OG 3.44Å; S20-E22 PolarHBondContact O-N 3.27Å |
| 21 | G | 50.9 | Low | 52.9 | Low | 74 Ų | 74 | 105.3 Ų | 105.3 | 76% | 0.763 | 65% | 0.649 | S | S | * | * | trans | -57.8 | 81.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I19 | I19-G21 PolarHBondContact O-N 3.42Š| ||
| 22 | E | 45.8 | Very low | 51.2 | Low | 159 Ų | 159 | 108.3 Ų | 108.3 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | trans | -137.7 | 115.3 | 159.7 | -176.3 | 75.1 | 84.9 | 0 | 0 | 105.1 | S20 | S20-E22 PolarHBondContact O-N 3.27Š| ||
| 23 | P | 49.4 | Very low | 49.3 | Very low | 94 Ų | 94 | 108 Ų | 108 | 61% | 0.61 | 68% | 0.676 | S | S | * | * | trans | -62.4 | 141.8 | 179.4 | 25.7 | -33.7 | 0 | 0 | 0 | 110.2 | N25 | P23-N25 VanDerWaalsContact C-N 3.34Å; P23-N25 PolarHBondContact O-N 2.83Å | ||
| 24 | P | 40.8 | Very low | 47.4 | Very low | 124 Ų | 124 | 111.6 Ų | 111.6 | 81% | 0.805 | 69% | 0.693 | S | S | * | * | trans | -66.8 | 101.9 | 164.2 | 27.5 | -29.1 | 0 | 0 | 0 | 107.2 | S26 | P24-S26 VanDerWaalsContact C-N 3.29Å; P24-S26 PolarHBondContact O-N 2.88Å | ||
| 25 | N | 32.3 | Very low | 45.8 | Very low | 137 Ų | 137 | 113.7 Ų | 113.7 | 73% | 0.733 | 70% | 0.704 | S | S | * | * | trans | -62 | 91.4 | 171.3 | -166.6 | 78.4 | 0 | 0 | 0 | 108.6 | P23 S27 | P23-N25 VanDerWaalsContact C-N 3.34Å; P23-N25 PolarHBondContact O-N 2.83Å; N25-S27 VanDerWaalsContact C-N 3.34Å; N25-S27 PolarHBondContact O-N 3.41Å | ||
| 26 | S | 43 | Very low | 44.4 | Very low | 118 Ų | 118 | 117.8 Ų | 117.8 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | trans | -65.7 | 95.1 | 164.3 | -82.7 | 0 | 0 | 0 | 0 | 108.4 | P24 | P24-S26 VanDerWaalsContact C-N 3.29Å; P24-S26 PolarHBondContact O-N 2.88Å | ||
| 27 | S | 31.6 | Very low | 42.7 | Very low | 95 Ų | 95 | 118 Ų | 118 | 66% | 0.664 | 74% | 0.735 | S | S | * | * | trans | -152.9 | 88.1 | 162.3 | -63.4 | 0 | 0 | 0 | 0 | 109.1 | N25 | N25-S27 VanDerWaalsContact C-N 3.34Å; N25-S27 PolarHBondContact O-N 3.41Å | ||
| 28 | S | 36.8 | Very low | 41.5 | Very low | 119 Ų | 119 | 120.5 Ų | 120.5 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | trans | -77.6 | 122 | 163.4 | 51.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 29 | A | 33.9 | Very low | 40.6 | Very low | 90 Ų | 90 | 120 Ų | 120 | 74% | 0.744 | 74% | 0.737 | S | S | * | * | trans | 72.1 | 113 | 146.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 30 | T | 33.1 | Very low | 39.8 | Very low | 115 Ų | 115 | 121.2 Ų | 121.2 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | 154.4 | 115.5 | 100.3 | -59.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 31 | Q | 42.6 | Very low | 38.8 | Very low | 181 Ų | 181 | 121.1 Ų | 121.1 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | 30.8 | 126.2 | 141.8 | -48.5 | 175.4 | 16.8 | 0 | 0 | 120.7 | ||||
| 32 | N | 33.9 | Very low | 38.4 | Very low | 153 Ų | 153 | 125.2 Ų | 125.2 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | 162.2 | 154 | 92 | -162.9 | 16 | 0 | 0 | 0 | 111.2 | |||||
| 33 | S | 36.9 | Very low | 38.1 | Very low | 92 Ų | 92 | 123.6 Ų | 123.6 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | trans | -64.7 | 165.8 | -172.5 | -50.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 34 | T | 33.7 | Very low | 37.9 | Very low | 127 Ų | 127 | 126.7 Ų | 126.7 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | trans | 119 | 125.7 | 135.2 | -55.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 35 | S | 33.6 | Very low | 38.1 | Very low | 94 Ų | 94 | 128.3 Ų | 128.3 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | trans | 90.7 | 105.1 | 149.6 | -71.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 36 | T | 37.6 | Very low | 38.8 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | 30.6 | 128.7 | 122.2 | 58 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 37 | S | 36.8 | Very low | 38.8 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | 170.4 | 119.4 | 120.8 | 48.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 38 | I | 39.3 | Very low | 39.6 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 77% | 0.774 | 76% | 0.756 | S | S | * | * | trans | 35.9 | 130.7 | 134.1 | 40.5 | 170.6 | 0 | 0 | 0 | 124.6 | ||||
| 39 | I | 39.6 | Very low | 40.5 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | 94.6 | 120.1 | 127.7 | -70.2 | 171.8 | 0 | 0 | 0 | 121.5 | |||||
| 40 | L | 45.2 | Very low | 41.3 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | 17.2 | 134 | 141.2 | -67.8 | 142.1 | 0 | 0 | 0 | 120.8 | ||||
| 41 | G | 37.1 | Very low | 42.4 | Very low | 81 Ų | 81 | 133.1 Ų | 133.1 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | trans | -166.1 | 107.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 42 | H | 43.8 | Very low | 42.9 | Very low | 161 Ų | 161 | 130.8 Ų | 130.8 | 75% | 0.745 | 74% | 0.739 | S | S | * | * | trans | -86.5 | 158.1 | 170.1 | -172.3 | -105.8 | 0 | 0 | 0 | 109.5 | ||||
| 43 | D | 39.7 | Very low | 43.8 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 66% | 0.663 | 73% | 0.733 | S | S | * | * | trans | 67.8 | 150.8 | 169.2 | -68.5 | -28.8 | 0 | 0 | 0 | 117.9 | ||||
| 44 | E | 45.4 | Very low | 44.7 | Very low | 159 Ų | 159 | 125.8 Ų | 125.8 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | cis | -179.4 | 120.7 | -12 | 166.4 | -176.5 | 96.6 | 0 | 0 | 102.1 | ||||
| 45 | L | 43.3 | Very low | 45.7 | Very low | 158 Ų | 158 | 123.7 Ų | 123.7 | 83% | 0.827 | 72% | 0.718 | S | S | * | * | trans | -163.4 | 96.1 | 153.2 | -145.8 | 77.6 | 0 | 0 | 0 | 111.6 | ||||
| 46 | T | 47.1 | Very low | 46.7 | Very low | 117 Ų | 117 | 119.8 Ų | 119.8 | 72% | 0.718 | 69% | 0.693 | S | S | * | * | trans | 11.2 | 107.3 | 137 | 40.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 47 | S | 43.1 | Very low | 47.5 | Very low | 96 Ų | 96 | 118.1 Ų | 118.1 | 67% | 0.671 | 69% | 0.686 | S | S | * | * | trans | -133.4 | 78.6 | 144.4 | -166.3 | 0 | 0 | 0 | 0 | 109.2 | N49 | S47-N49 VanDerWaalsContact C-N 3.3Å; S47-N49 PolarHBondContact O-N 3.32Å; S47-N49 VanDerWaalsContact O-N 3.08Å; S47-N49 PolarHBondContact OG-ND2 3.07Å | ||
| 48 | K | 48.9 | Very low | 48.7 | Very low | 176 Ų | 176 | 122.1 Ų | 122.1 | 77% | 0.765 | 69% | 0.685 | S | S | * | * | trans | -71.9 | 89.7 | 163.2 | -100.1 | 175.2 | 171.5 | 169.5 | 0 | 107.4 | D50 | K48-D50 VanDerWaalsContact C-N 3.34Å; K48-D50 PolarHBondContact O-N 3.42Å | ||
| 49 | N | 55.2 | Low | 49.7 | Very low | 128 Ų | 128 | 118.3 Ų | 118.3 | 68% | 0.684 | 67% | 0.665 | S | S | * | * | trans | -83.6 | 86.8 | 160.9 | -75.9 | -49.2 | 0 | 0 | 0 | 107.8 | S47 T51 | S47-N49 VanDerWaalsContact C-N 3.3Å; S47-N49 PolarHBondContact O-N 3.32Å; S47-N49 VanDerWaalsContact O-N 3.08Å; S47-N49 PolarHBondContact OG-ND2 3.07Å; N49-T51 PolarHBondContact O-N 2.8Å | ||
| 50 | D | 52.3 | Low | 50.6 | Low | 136 Ų | 136 | 115 Ų | 115 | 73% | 0.727 | 65% | 0.654 | S | S | * | * | trans | -71.9 | 74.5 | 171 | -70.7 | -48.4 | 0 | 0 | 0 | 109.6 | K48 | K48-D50 VanDerWaalsContact C-N 3.34Å; K48-D50 PolarHBondContact O-N 3.42Å | ||
| 51 | T | 55.3 | Low | 51.4 | Low | 122 Ų | 122 | 110.9 Ų | 110.9 | 75% | 0.748 | 64% | 0.638 | S | S | * | * | trans | -132 | 26.5 | 166.7 | -43 | 0 | 0 | 0 | 0 | 110.6 | N49 | N49-T51 PolarHBondContact O-N 2.8Š| ||
| 52 | H | 53.2 | Low | 52.4 | Low | 132 Ų | 132 | 110.6 Ų | 110.6 | 61% | 0.611 | 62% | 0.617 | S | S | * | * | trans | -109.8 | 1.9 | -176.6 | -143.9 | -102.7 | 0 | 0 | 0 | 114.3 | G56 | H52-G56 WeakPolarHBondContact O-CA 3.45Å; H52-G56 PolarHBondContact O-N 2.94Å; H52-G56 VanDerWaalsContact O-N 3.17Å | ||
| 53 | G | 52.7 | Low | 53.1 | Low | 67 Ų | 67 | 109.8 Ų | 109.8 | 69% | 0.691 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -77 | -39.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 54 | A | 55.1 | Low | 54.3 | Low | 74 Ų | 74 | 109.7 Ų | 109.7 | 61% | 0.612 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -87.6 | -23.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R58 | A54-R58 PolarHBondContact O-NE 2.9Å |
| 55 | V | 55.9 | Low | 55.3 | Low | 82 Ų | 82 | 107.4 Ų | 107.4 | 50% | 0.497 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -93.4 | -33 | 173.6 | -176.2 | 0 | 0 | 0 | 0 | 110.5 | S57 R58 I59 | V55-S57 VanDerWaalsContact C-N 3.3Å; V55-S57 PolarHBondContact O-N 3.48Å; V55-R58 PolarHBondContact O-N 3.3Å; V55-I59 HydrophobicContact CG1-CG2 4.4Å; V55-I59 WeakPolarHBondContact O-CG1 3.4Å; V55-I59 PolarHBondContact O-N 3.33Å |
| 56 | G | 54 | Low | 56.4 | Low | 12 Ų | 12 | 104.1 Ų | 104.1 | 12% | 0.124 | 59% | 0.587 | C | S | . | * | H | α-helix | trans | -52.1 | -41.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | H52 R58 I59 S60 | H52-G56 WeakPolarHBondContact O-CA 3.45Å; H52-G56 PolarHBondContact O-N 2.94Å; H52-G56 VanDerWaalsContact O-N 3.17Å; G56-R58 VanDerWaalsContact C-N 3.29Å; G56-R58 PolarHBondContact O-N 3.5Å; G56-I59 WeakPolarHBondContact O-CG1 3.26Å; G56-I59 PolarHBondContact O-N 2.8Å; G56-S60 PolarHBondContact O-N 2.76Å; G56-S60 VanDerWaalsContact O-N 3.09Å; G56-S60 PolarHBondContact O-OG 2.95Å |
| 57 | S | 55.4 | Low | 57.9 | Low | 89 Ų | 89 | 102.5 Ų | 102.5 | 62% | 0.622 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.6 | -28.3 | 178.7 | -174.1 | 0 | 0 | 0 | 0 | 113.2 | V55 P61 | V55-S57 VanDerWaalsContact C-N 3.3Å; V55-S57 PolarHBondContact O-N 3.48Å; S57-P61 WeakPolarHBondContact O-CD 3.29Å |
| 58 | R | 61.2 | Low | 59.7 | Low | 192 Ų | 192 | 100.5 Ų | 100.5 | 73% | 0.725 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -85.4 | -26.7 | -179.1 | -44 | -175.4 | -165.1 | -119 | 3.9 | 112.8 | A54 V55 G56 P61 | A54-R58 PolarHBondContact O-NE 2.9Å; V55-R58 PolarHBondContact O-N 3.3Å; G56-R58 VanDerWaalsContact C-N 3.29Å; G56-R58 PolarHBondContact O-N 3.5Å; R58-P61 WeakPolarHBondContact O-CD 3.27Å |
| 59 | I | 60.7 | Low | 61.3 | Low | 71 Ų | 71 | 95.1 Ų | 95.1 | 36% | 0.364 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -87.7 | -15.3 | 175.8 | 58.6 | 173.1 | 0 | 0 | 0 | 112.8 | V55 G56 L62 M63 | V55-I59 HydrophobicContact CG1-CG2 4.4Å; V55-I59 WeakPolarHBondContact O-CG1 3.4Å; V55-I59 PolarHBondContact O-N 3.33Å; G56-I59 WeakPolarHBondContact O-CG1 3.26Å; G56-I59 PolarHBondContact O-N 2.8Å; I59-L62 WeakPolarHBondContact O-CA 3.48Å; I59-L62 WeakPolarHBondContact O-CB 3.46Å; I59-L62 PolarHBondContact O-N 2.9Å; I59-M63 PolarHBondContact O-N 3.45Å |
| 60 | S | 57.7 | Low | 62.6 | Low | 71 Ų | 71 | 95.6 Ų | 95.6 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 177.7 | -64.3 | 0 | 0 | 0 | 0 | 114.3 | G56 L62 M63 T64 | G56-S60 PolarHBondContact O-N 2.76Å; G56-S60 VanDerWaalsContact O-N 3.09Å; G56-S60 PolarHBondContact O-OG 2.95Å; S60-L62 PolarHBondContact O-N 3.27Å; S60-M63 PolarHBondContact O-N 2.9Å; S60-T64 PolarHBondContact O-OG1 2.86Å |
| 61 | P | 61.8 | Low | 64.1 | Low | 81 Ų | 81 | 94.1 Ų | 94.1 | 53% | 0.526 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.7 | -27.8 | 170.4 | -16.3 | 29.9 | 0 | 0 | 0 | 112.6 | S57 R58 T64 Y65 | S57-P61 WeakPolarHBondContact O-CD 3.29Å; R58-P61 WeakPolarHBondContact O-CD 3.27Å; P61-T64 PolarHBondContact O-OG1 3.39Å; P61-T64 VanDerWaalsContact O-OG1 3.12Å; P61-Y65 PolarHBondContact O-N 3.35Å |
| 62 | L | 59.6 | Low | 65.6 | Low | 75 Ų | 75 | 91.1 Ų | 91.1 | 39% | 0.393 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.8 | -34.5 | -179.8 | -124.9 | 173.3 | 0 | 0 | 0 | 111.3 | I59 S60 Y65 L66 L69 | I59-L62 WeakPolarHBondContact O-CA 3.48Å; I59-L62 WeakPolarHBondContact O-CB 3.46Å; I59-L62 PolarHBondContact O-N 2.9Å; S60-L62 PolarHBondContact O-N 3.27Å; L62-Y65 PolarHBondContact O-N 3.42Å; L62-L66 PolarHBondContact O-N 3.46Å; L62-L69 HydrophobicContact CD2-CB 4.48Å; L62-L69 HydrophobicContact CD2-CD1 3.71Å; L62-L69 HydrophobicContact CD2-CD2 3.17Å; L62-L69 HydrophobicContact CD2-CG 3.93Å |
| 63 | M | 58.6 | Low | 67.2 | Low | 144 Ų | 144 | 88.9 Ų | 88.9 | 71% | 0.709 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.8 | -30.6 | 179 | -156.1 | 161.4 | 85.7 | 0 | 0 | 112.8 | I59 S60 L66 | I59-M63 PolarHBondContact O-N 3.45Å; S60-M63 PolarHBondContact O-N 2.9Å; M63-L66 HydrophobicContact CG-CD1 3.88Å; M63-L66 WeakPolarHBondContact O-CD1 3.24Å; M63-L66 VanDerWaalsContact O-CG 3.26Å; M63-L66 WeakPolarHBondContact O-CG 3.5Å |
| 64 | T | 65.1 | Low | 68.9 | Low | 121 Ų | 121 | 90.4 Ų | 90.4 | 74% | 0.742 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -79.1 | -24.8 | 175.5 | 25 | 0 | 0 | 0 | 0 | 112.8 | S60 P61 | S60-T64 PolarHBondContact O-OG1 2.86Å; P61-T64 PolarHBondContact O-OG1 3.39Å; P61-T64 VanDerWaalsContact O-OG1 3.12Å |
| 65 | Y | 65.6 | Low | 70.6 | Confident | 112 Ų | 112 | 93.5 Ų | 93.5 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -99.2 | 9.1 | 178.5 | -164.5 | -106.1 | 0 | 0 | 0 | 113.5 | P61 L62 T68 L69 V72 | P61-Y65 PolarHBondContact O-N 3.35Å; L62-Y65 PolarHBondContact O-N 3.42Å; Y65-T68 HydrophobicContact CD2-CG2 4.18Å; Y65-T68 VanDerWaalsContact CE1-CB 3.44Å; Y65-T68 HydrophobicContact CE1-CG2 3.75Å; Y65-T68 HydrophobicContact CE2-CG2 3.34Å; Y65-T68 CarbonylContact O-C 3.57Å; Y65-T68 PolarHBondContact O-N 2.99Å; Y65-T68 WeakPolarHBondContact OH-CG2 3.42Å; Y65-L69 HydrophobicContact CD1-CB 3.92Å; Y65-L69 HydrophobicContact CD1-CD1 4.46Å; Y65-L69 VanDerWaalsContact CD1-N 3.34Å; Y65-L69 HydrophobicContact CE1-CB 4.46Å; Y65-L69 WeakPolarHBondContact O-CB 3.26Å; Y65-L69 PolarHBondContact O-N 2.94Å; Y65-V72 HydrophobicContact CE1-CG2 4.31Å |
| 66 | L | 67.3 | Low | 72.3 | Confident | 89 Ų | 89 | 94 Ų | 94 | 47% | 0.466 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -40.3 | -54 | -178.8 | -81.9 | 166.4 | 0 | 0 | 0 | 115.3 | L62 M63 T68 L69 K70 | L62-L66 PolarHBondContact O-N 3.46Å; M63-L66 HydrophobicContact CG-CD1 3.88Å; M63-L66 WeakPolarHBondContact O-CD1 3.24Å; M63-L66 VanDerWaalsContact O-CG 3.26Å; M63-L66 WeakPolarHBondContact O-CG 3.5Å; L66-T68 VanDerWaalsContact C-N 3.34Å; L66-T68 PolarHBondContact O-N 3.45Å; L66-L69 PolarHBondContact O-N 2.99Å; L66-K70 VanDerWaalsContact O-CG 3.26Å; L66-K70 WeakPolarHBondContact O-CG 3.28Å; L66-K70 PolarHBondContact O-N 2.72Å; L66-K70 VanDerWaalsContact O-N 3.07Å |
| 67 | P | 76.6 | Confident | 74 | Confident | 82 Ų | 82 | 97.2 Ų | 97.2 | 53% | 0.532 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.3 | -37.6 | -179.3 | 22.4 | -31.3 | 0 | 0 | 0 | 112.4 | K70 N71 | P67-K70 PolarHBondContact O-N 3.31Å; P67-N71 PolarHBondContact O-N 2.9Å; P67-N71 PolarHBondContact O-OD1 3.17Å |
| 68 | T | 81.5 | Confident | 75.7 | Confident | 55 Ų | 55 | 96.9 Ų | 96.9 | 34% | 0.337 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -78.7 | -32.1 | -178.7 | -34.6 | 0 | 0 | 0 | 0 | 111.8 | Y65 L66 K70 N71 V72 | Y65-T68 HydrophobicContact CD2-CG2 4.18Å; Y65-T68 VanDerWaalsContact CE1-CB 3.44Å; Y65-T68 HydrophobicContact CE1-CG2 3.75Å; Y65-T68 HydrophobicContact CE2-CG2 3.34Å; Y65-T68 CarbonylContact O-C 3.57Å; Y65-T68 PolarHBondContact O-N 2.99Å; Y65-T68 WeakPolarHBondContact OH-CG2 3.42Å; L66-T68 VanDerWaalsContact C-N 3.34Å; L66-T68 PolarHBondContact O-N 3.45Å; T68-K70 VanDerWaalsContact C-N 3.33Å; T68-N71 WeakPolarHBondContact O-CB 3.5Å; T68-N71 PolarHBondContact O-N 3.28Å; T68-V72 VanDerWaalsContact O-CG2 3.27Å; T68-V72 WeakPolarHBondContact O-CG2 3.3Å; T68-V72 PolarHBondContact O-N 3.32Å |
| 69 | L | 83.4 | Confident | 77.1 | Confident | 62 Ų | 62 | 91.6 Ų | 91.6 | 33% | 0.325 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 171 | -169.9 | 84.9 | 0 | 0 | 0 | 110.7 | L62 Y65 L66 N71 V72 V73 | L62-L69 HydrophobicContact CD2-CB 4.48Å; L62-L69 HydrophobicContact CD2-CD1 3.71Å; L62-L69 HydrophobicContact CD2-CD2 3.17Å; L62-L69 HydrophobicContact CD2-CG 3.93Å; Y65-L69 HydrophobicContact CD1-CB 3.92Å; Y65-L69 HydrophobicContact CD1-CD1 4.46Å; Y65-L69 VanDerWaalsContact CD1-N 3.34Å; Y65-L69 HydrophobicContact CE1-CB 4.46Å; Y65-L69 WeakPolarHBondContact O-CB 3.26Å; Y65-L69 PolarHBondContact O-N 2.94Å; L66-L69 PolarHBondContact O-N 2.99Å; L69-N71 VanDerWaalsContact C-N 3.28Å; L69-N71 PolarHBondContact O-N 2.84Å; L69-V72 PolarHBondContact O-N 3.45Å; L69-V73 HydrophobicContact CG-CG2 4.35Å; L69-V73 WeakPolarHBondContact O-CB 3.48Å; L69-V73 VanDerWaalsContact O-CG2 3.28Å; L69-V73 WeakPolarHBondContact O-CG2 3.36Å; L69-V73 PolarHBondContact O-N 2.9Å |
| 70 | K | 82.6 | Confident | 78.5 | Confident | 138 Ų | 138 | 91.4 Ų | 91.4 | 60% | 0.6 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -56.5 | -46.2 | 174.9 | -71.4 | 169.4 | 66.8 | 170.6 | 0 | 110.6 | L66 P67 T68 V72 V73 I74 | L66-K70 VanDerWaalsContact O-CG 3.26Å; L66-K70 WeakPolarHBondContact O-CG 3.28Å; L66-K70 PolarHBondContact O-N 2.72Å; L66-K70 VanDerWaalsContact O-N 3.07Å; P67-K70 PolarHBondContact O-N 3.31Å; T68-K70 VanDerWaalsContact C-N 3.33Å; K70-V72 PolarHBondContact O-N 3.32Å; K70-V73 PolarHBondContact O-N 3.34Å; K70-I74 WeakPolarHBondContact O-CD1 3.37Å; K70-I74 WeakPolarHBondContact O-CG1 3.22Å; K70-I74 PolarHBondContact O-N 2.8Å |
| 71 | N | 82.9 | Confident | 79.9 | Confident | 106 Ų | 106 | 89.2 Ų | 89.2 | 57% | 0.567 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.6 | -40.8 | 177.8 | -63.7 | -8.4 | 0 | 0 | 0 | 112.3 | P67 T68 L69 I74 F75 | P67-N71 PolarHBondContact O-N 2.9Å; P67-N71 PolarHBondContact O-OD1 3.17Å; T68-N71 WeakPolarHBondContact O-CB 3.5Å; T68-N71 PolarHBondContact O-N 3.28Å; L69-N71 VanDerWaalsContact C-N 3.28Å; L69-N71 PolarHBondContact O-N 2.84Å; N71-I74 PolarHBondContact O-N 2.81Å; N71-F75 WeakPolarHBondContact O-CB 3.09Å; N71-F75 PolarHBondContact O-N 3.33Å |
| 72 | V | 87.6 | Confident | 81.1 | Confident | 59 Ų | 59 | 89.4 Ų | 89.4 | 36% | 0.358 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 176.4 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | Y65 T68 L69 K70 I74 F75 I76 | Y65-V72 HydrophobicContact CE1-CG2 4.31Å; T68-V72 VanDerWaalsContact O-CG2 3.27Å; T68-V72 WeakPolarHBondContact O-CG2 3.3Å; T68-V72 PolarHBondContact O-N 3.32Å; L69-V72 PolarHBondContact O-N 3.45Å; K70-V72 PolarHBondContact O-N 3.32Å; V72-I74 PolarHBondContact O-N 2.95Å; V72-F75 PolarHBondContact O-N 3.46Å; V72-I76 HydrophobicContact CG1-CD1 3.73Å; V72-I76 HydrophobicContact CG1-CG1 4.43Å; V72-I76 VanDerWaalsContact O-CG1 3.25Å; V72-I76 WeakPolarHBondContact O-CG1 3.38Å; V72-I76 PolarHBondContact O-N 3.02Å |
| 73 | V | 86.9 | Confident | 82.7 | Confident | 85 Ų | 85 | 90.4 Ų | 90.4 | 52% | 0.515 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 177.3 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | L69 K70 F75 I76 C77 | L69-V73 HydrophobicContact CG-CG2 4.35Å; L69-V73 WeakPolarHBondContact O-CB 3.48Å; L69-V73 VanDerWaalsContact O-CG2 3.28Å; L69-V73 WeakPolarHBondContact O-CG2 3.36Å; L69-V73 PolarHBondContact O-N 2.9Å; K70-V73 PolarHBondContact O-N 3.34Å; V73-F75 VanDerWaalsContact C-N 3.35Å; V73-I76 PolarHBondContact O-N 3.34Å; V73-C77 VanDerWaalsContact O-CB 3.28Å; V73-C77 WeakPolarHBondContact O-CB 3.5Å; V73-C77 PolarHBondContact O-N 3.03Å |
| 74 | I | 87.5 | Confident | 84.1 | Confident | 99 Ų | 99 | 88 Ų | 88 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 174.6 | -67.1 | 162.3 | 0 | 0 | 0 | 110.2 | K70 N71 V72 I76 C77 V78 | K70-I74 WeakPolarHBondContact O-CD1 3.37Å; K70-I74 WeakPolarHBondContact O-CG1 3.22Å; K70-I74 PolarHBondContact O-N 2.8Å; N71-I74 PolarHBondContact O-N 2.81Å; V72-I74 PolarHBondContact O-N 2.95Å; I74-I76 PolarHBondContact O-N 3.33Å; I74-C77 WeakPolarHBondContact O-CB 3.41Å; I74-C77 PolarHBondContact O-N 2.87Å; I74-V78 HydrophobicContact CG2-CG2 4.34Å; I74-V78 WeakPolarHBondContact O-CG2 3.44Å; I74-V78 PolarHBondContact O-N 3.49Å |
| 75 | F | 90.5 | Very high | 85.1 | Confident | 138 Ų | 138 | 84.9 Ų | 84.9 | 61% | 0.605 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.1 | -45.2 | 178.4 | -173.8 | -95.7 | 0 | 0 | 0 | 112 | N71 V72 V73 C77 V78 L79 | N71-F75 WeakPolarHBondContact O-CB 3.09Å; N71-F75 PolarHBondContact O-N 3.33Å; V72-F75 PolarHBondContact O-N 3.46Å; V73-F75 VanDerWaalsContact C-N 3.35Å; F75-C77 VanDerWaalsContact C-N 3.33Å; F75-C77 PolarHBondContact O-N 3.18Å; F75-V78 PolarHBondContact O-N 3.45Å; F75-L79 HydrophobicContact CE1-CD2 4.44Å; F75-L79 VanDerWaalsContact O-CB 3.22Å; F75-L79 WeakPolarHBondContact O-CB 3.22Å; F75-L79 PolarHBondContact O-N 3.33Å |
| 76 | I | 91.8 | Very high | 85.9 | Confident | 92 Ų | 92 | 83.1 Ų | 83.1 | 47% | 0.472 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 176.2 | -64.6 | 162.8 | 0 | 0 | 0 | 110.3 | V72 V73 I74 L79 T80 | V72-I76 HydrophobicContact CG1-CD1 3.73Å; V72-I76 HydrophobicContact CG1-CG1 4.43Å; V72-I76 VanDerWaalsContact O-CG1 3.25Å; V72-I76 WeakPolarHBondContact O-CG1 3.38Å; V72-I76 PolarHBondContact O-N 3.02Å; V73-I76 PolarHBondContact O-N 3.34Å; I74-I76 PolarHBondContact O-N 3.33Å; I76-L79 PolarHBondContact O-N 3.44Å; I76-T80 HydrophobicContact CG2-CG2 4.34Å; I76-T80 VanDerWaalsContact O-CG2 3.3Å; I76-T80 WeakPolarHBondContact O-CG2 3.33Å; I76-T80 PolarHBondContact O-N 2.66Å; I76-T80 PolarHBondContact O-OG1 3.48Å; I76-T80 VanDerWaalsContact O-OG1 3.1Å |
| 77 | C | 89.6 | Confident | 86.9 | Confident | 80 Ų | 80 | 83.6 Ų | 83.6 | 54% | 0.541 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 177.7 | -175.4 | 0 | 0 | 0 | 0 | 112.5 | V73 I74 F75 T80 A81 | V73-C77 VanDerWaalsContact O-CB 3.28Å; V73-C77 WeakPolarHBondContact O-CB 3.5Å; V73-C77 PolarHBondContact O-N 3.03Å; I74-C77 WeakPolarHBondContact O-CB 3.41Å; I74-C77 PolarHBondContact O-N 2.87Å; F75-C77 VanDerWaalsContact C-N 3.33Å; F75-C77 PolarHBondContact O-N 3.18Å; C77-T80 PolarHBondContact O-OG1 2.88Å; C77-A81 WeakPolarHBondContact O-CB 3.4Å; C77-A81 PolarHBondContact O-N 3.18Å; C77-A81 VanDerWaalsContact O-N 3.09Å |
| 78 | V | 90.6 | Very high | 87.4 | Confident | 83 Ų | 83 | 82 Ų | 82 | 50% | 0.503 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 175 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | I74 F75 T80 A81 V82 | I74-V78 HydrophobicContact CG2-CG2 4.34Å; I74-V78 WeakPolarHBondContact O-CG2 3.44Å; I74-V78 PolarHBondContact O-N 3.49Å; F75-V78 PolarHBondContact O-N 3.45Å; V78-T80 PolarHBondContact O-N 2.93Å; V78-A81 PolarHBondContact O-N 3.01Å; V78-V82 HydrophobicContact CG1-CG2 4.32Å; V78-V82 WeakPolarHBondContact O-CB 3.19Å; V78-V82 VanDerWaalsContact O-CG2 3.28Å; V78-V82 WeakPolarHBondContact O-CG2 3.34Å; V78-V82 PolarHBondContact O-N 3Å |
| 79 | L | 91.6 | Very high | 87.5 | Confident | 81 Ų | 81 | 84.4 Ų | 84.4 | 42% | 0.424 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 178.8 | -175.4 | 68.5 | 0 | 0 | 0 | 111.3 | F75 I76 V82 L83 | F75-L79 HydrophobicContact CE1-CD2 4.44Å; F75-L79 VanDerWaalsContact O-CB 3.22Å; F75-L79 WeakPolarHBondContact O-CB 3.22Å; F75-L79 PolarHBondContact O-N 3.33Å; I76-L79 PolarHBondContact O-N 3.44Å; L79-V82 PolarHBondContact O-N 3.23Å; L79-L83 HydrophobicContact CG-CD1 4.12Å; L79-L83 HydrophobicContact CG-CG 4.41Å; L79-L83 WeakPolarHBondContact O-CB 3.48Å; L79-L83 WeakPolarHBondContact O-CG 3.41Å; L79-L83 PolarHBondContact O-N 2.86Å |
| 80 | T | 89.2 | Confident | 87.5 | Confident | 66 Ų | 66 | 87.8 Ų | 87.8 | 41% | 0.405 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 177.7 | 53.8 | 0 | 0 | 0 | 0 | 111.6 | I76 C77 V78 V82 L83 I84 | I76-T80 HydrophobicContact CG2-CG2 4.34Å; I76-T80 VanDerWaalsContact O-CG2 3.3Å; I76-T80 WeakPolarHBondContact O-CG2 3.33Å; I76-T80 PolarHBondContact O-N 2.66Å; I76-T80 PolarHBondContact O-OG1 3.48Å; I76-T80 VanDerWaalsContact O-OG1 3.1Å; C77-T80 PolarHBondContact O-OG1 2.88Å; V78-T80 PolarHBondContact O-N 2.93Å; T80-V82 VanDerWaalsContact C-N 3.35Å; T80-V82 PolarHBondContact O-N 2.9Å; T80-L83 PolarHBondContact O-N 2.9Å; T80-I84 WeakPolarHBondContact O-CB 3.5Å; T80-I84 WeakPolarHBondContact O-CD1 3.4Å; T80-I84 WeakPolarHBondContact O-CG1 3.22Å; T80-I84 PolarHBondContact O-N 3.1Å |
| 81 | A | 87.8 | Confident | 87.4 | Confident | 25 Ų | 25 | 85.8 Ų | 85.8 | 21% | 0.207 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F11 C77 V78 T85 | F11-A81 HydrophobicContact CE1-CB 3.93Å; F11-A81 HydrophobicContact CZ-CB 3.68Å; C77-A81 WeakPolarHBondContact O-CB 3.4Å; C77-A81 PolarHBondContact O-N 3.18Å; C77-A81 VanDerWaalsContact O-N 3.09Å; V78-A81 PolarHBondContact O-N 3.01Å; A81-T85 WeakPolarHBondContact O-CB 3.48Å; A81-T85 PolarHBondContact O-N 2.85Å; A81-T85 PolarHBondContact O-OG1 3.34Å |
| 82 | V | 87.9 | Confident | 87.1 | Confident | 85 Ų | 85 | 84.4 Ų | 84.4 | 52% | 0.515 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 175.9 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | V78 L79 T80 T85 C86 | V78-V82 HydrophobicContact CG1-CG2 4.32Å; V78-V82 WeakPolarHBondContact O-CB 3.19Å; V78-V82 VanDerWaalsContact O-CG2 3.28Å; V78-V82 WeakPolarHBondContact O-CG2 3.34Å; V78-V82 PolarHBondContact O-N 3Å; L79-V82 PolarHBondContact O-N 3.23Å; T80-V82 VanDerWaalsContact C-N 3.35Å; T80-V82 PolarHBondContact O-N 2.9Å; V82-T85 PolarHBondContact O-N 3.47Å; V82-C86 VanDerWaalsContact O-CB 3.26Å; V82-C86 WeakPolarHBondContact O-CB 3.25Å; V82-C86 PolarHBondContact O-N 3.22Å |
| 83 | L | 91.4 | Very high | 86.4 | Confident | 96 Ų | 96 | 90.2 Ų | 90.2 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 179.4 | -73.6 | 175.1 | 0 | 0 | 0 | 111.8 | L79 T80 T85 C86 L87 | L79-L83 HydrophobicContact CG-CD1 4.12Å; L79-L83 HydrophobicContact CG-CG 4.41Å; L79-L83 WeakPolarHBondContact O-CB 3.48Å; L79-L83 WeakPolarHBondContact O-CG 3.41Å; L79-L83 PolarHBondContact O-N 2.86Å; T80-L83 PolarHBondContact O-N 2.9Å; L83-T85 VanDerWaalsContact C-N 3.32Å; L83-T85 PolarHBondContact O-N 3.45Å; L83-C86 PolarHBondContact O-N 3.29Å; L83-L87 WeakPolarHBondContact O-CB 3.01Å; L83-L87 WeakPolarHBondContact O-CD1 3.22Å; L83-L87 WeakPolarHBondContact O-CG 3.46Å; L83-L87 PolarHBondContact O-N 3.48Å |
| 84 | I | 89.6 | Confident | 85.2 | Confident | 93 Ų | 93 | 89.6 Ų | 89.6 | 48% | 0.477 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 176.6 | -67.1 | 163.7 | 0 | 0 | 0 | 109.8 | T80 C86 L87 V88 | T80-I84 WeakPolarHBondContact O-CB 3.5Å; T80-I84 WeakPolarHBondContact O-CD1 3.4Å; T80-I84 WeakPolarHBondContact O-CG1 3.22Å; T80-I84 PolarHBondContact O-N 3.1Å; I84-C86 PolarHBondContact O-N 3.38Å; I84-L87 WeakPolarHBondContact O-CB 3.27Å; I84-L87 PolarHBondContact O-N 2.91Å; I84-V88 VanDerWaalsContact O-CG2 3.3Å; I84-V88 WeakPolarHBondContact O-CG2 3.28Å; I84-V88 PolarHBondContact O-N 3.49Å |
| 85 | T | 86.1 | Confident | 84.1 | Confident | 57 Ų | 57 | 86.4 Ų | 86.4 | 35% | 0.35 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 179.1 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | A81 V82 L83 L87 V88 I89 | A81-T85 WeakPolarHBondContact O-CB 3.48Å; A81-T85 PolarHBondContact O-N 2.85Å; A81-T85 PolarHBondContact O-OG1 3.34Å; V82-T85 PolarHBondContact O-N 3.47Å; L83-T85 VanDerWaalsContact C-N 3.32Å; L83-T85 PolarHBondContact O-N 3.45Å; T85-L87 PolarHBondContact O-N 2.87Å; T85-V88 PolarHBondContact O-N 2.83Å; T85-I89 HydrophobicContact CG2-CD1 3.91Å; T85-I89 VanDerWaalsContact O-CG1 3.29Å; T85-I89 WeakPolarHBondContact O-CG1 3.26Å; T85-I89 PolarHBondContact O-N 3.38Å |
| 86 | C | 82.5 | Confident | 82.5 | Confident | 74 Ų | 74 | 89.5 Ų | 89.5 | 50% | 0.5 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 177 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | V82 L83 I84 I89 K90 | V82-C86 VanDerWaalsContact O-CB 3.26Å; V82-C86 WeakPolarHBondContact O-CB 3.25Å; V82-C86 PolarHBondContact O-N 3.22Å; L83-C86 PolarHBondContact O-N 3.29Å; I84-C86 PolarHBondContact O-N 3.38Å; C86-I89 PolarHBondContact O-N 3.09Å; C86-K90 VanDerWaalsContact O-CB 3.24Å; C86-K90 WeakPolarHBondContact O-CB 3.3Å; C86-K90 PolarHBondContact O-N 2.89Å |
| 87 | L | 87.5 | Confident | 80.9 | Confident | 99 Ų | 99 | 93.4 Ų | 93.4 | 52% | 0.518 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.9 | -48 | 174.7 | -83.7 | 159.1 | 0 | 0 | 0 | 111.2 | L83 I84 T85 I89 K90 V91 | L83-L87 WeakPolarHBondContact O-CB 3.01Å; L83-L87 WeakPolarHBondContact O-CD1 3.22Å; L83-L87 WeakPolarHBondContact O-CG 3.46Å; L83-L87 PolarHBondContact O-N 3.48Å; I84-L87 WeakPolarHBondContact O-CB 3.27Å; I84-L87 PolarHBondContact O-N 2.91Å; T85-L87 PolarHBondContact O-N 2.87Å; L87-I89 PolarHBondContact O-N 3.26Å; L87-K90 PolarHBondContact O-N 3.44Å; L87-V91 WeakPolarHBondContact O-CB 3.28Å; L87-V91 VanDerWaalsContact O-CG2 3.22Å; L87-V91 WeakPolarHBondContact O-CG2 3.14Å; L87-V91 PolarHBondContact O-N 3.35Å |
| 88 | V | 87.1 | Confident | 79.5 | Confident | 50 Ų | 50 | 96.6 Ų | 96.6 | 30% | 0.303 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.4 | -48 | 177.4 | 170 | 0 | 0 | 0 | 0 | 111.2 | L7 I84 T85 K90 V91 I92 | L7-V88 HydrophobicContact CD2-CG1 3.55Å; I84-V88 VanDerWaalsContact O-CG2 3.3Å; I84-V88 WeakPolarHBondContact O-CG2 3.28Å; I84-V88 PolarHBondContact O-N 3.49Å; T85-V88 PolarHBondContact O-N 2.83Å; V88-K90 VanDerWaalsContact C-N 3.34Å; V88-K90 PolarHBondContact O-N 3.39Å; V88-V91 PolarHBondContact O-N 3.39Å; V88-I92 HydrophobicContact CG1-CD1 3.67Å; V88-I92 HydrophobicContact CG1-CG1 4.41Å; V88-I92 WeakPolarHBondContact O-CB 3.26Å; V88-I92 VanDerWaalsContact O-CG1 3.23Å; V88-I92 WeakPolarHBondContact O-CG1 3.1Å; V88-I92 PolarHBondContact O-N 2.9Å |
| 89 | I | 83.2 | Confident | 77.8 | Confident | 105 Ų | 105 | 103 Ų | 103 | 54% | 0.538 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 177.6 | -67.5 | 165.5 | 0 | 0 | 0 | 110.5 | T85 C86 L87 I92 R93 | T85-I89 HydrophobicContact CG2-CD1 3.91Å; T85-I89 VanDerWaalsContact O-CG1 3.29Å; T85-I89 WeakPolarHBondContact O-CG1 3.26Å; T85-I89 PolarHBondContact O-N 3.38Å; C86-I89 PolarHBondContact O-N 3.09Å; L87-I89 PolarHBondContact O-N 3.26Å; I89-I92 PolarHBondContact O-N 3.48Å; I89-R93 VanDerWaalsContact O-CB 3.27Å; I89-R93 WeakPolarHBondContact O-CB 3.4Å; I89-R93 PolarHBondContact O-N 3.19Å |
| 90 | K | 83.4 | Confident | 76.2 | Confident | 132 Ų | 132 | 107.7 Ų | 107.7 | 57% | 0.574 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | 179 | -180 | 179.4 | 143.7 | 76.8 | 0 | 111.4 | C86 L87 V88 R93 S94 | C86-K90 VanDerWaalsContact O-CB 3.24Å; C86-K90 WeakPolarHBondContact O-CB 3.3Å; C86-K90 PolarHBondContact O-N 2.89Å; L87-K90 PolarHBondContact O-N 3.44Å; V88-K90 VanDerWaalsContact C-N 3.34Å; V88-K90 PolarHBondContact O-N 3.39Å; K90-R93 PolarHBondContact O-N 3.23Å; K90-S94 WeakPolarHBondContact O-CB 3.45Å; K90-S94 PolarHBondContact O-N 2.94Å |
| 91 | V | 81.6 | Confident | 74.9 | Confident | 97 Ų | 97 | 108.9 Ų | 108.9 | 59% | 0.588 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.4 | -43.7 | 177.9 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | L87 V88 S94 G95 | L87-V91 WeakPolarHBondContact O-CB 3.28Å; L87-V91 VanDerWaalsContact O-CG2 3.22Å; L87-V91 WeakPolarHBondContact O-CG2 3.14Å; L87-V91 PolarHBondContact O-N 3.35Å; V88-V91 PolarHBondContact O-N 3.39Å; V91-S94 PolarHBondContact O-N 2.88Å; V91-G95 WeakPolarHBondContact O-CA 3.4Å; V91-G95 PolarHBondContact O-N 2.96Å |
| 92 | I | 75.9 | Confident | 73.6 | Confident | 77 Ų | 77 | 117.1 Ų | 117.1 | 40% | 0.395 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.6 | -42 | 177.1 | -66.3 | 171.2 | 0 | 0 | 0 | 110.7 | T4 V88 I89 R96 | T4-I92 HydrophobicContact CG2-CD1 3.72Å; T4-I92 HydrophobicContact CG2-CG2 4.29Å; V88-I92 HydrophobicContact CG1-CD1 3.67Å; V88-I92 HydrophobicContact CG1-CG1 4.41Å; V88-I92 WeakPolarHBondContact O-CB 3.26Å; V88-I92 VanDerWaalsContact O-CG1 3.23Å; V88-I92 WeakPolarHBondContact O-CG1 3.1Å; V88-I92 PolarHBondContact O-N 2.9Å; I89-I92 PolarHBondContact O-N 3.48Å; I92-R96 WeakPolarHBondContact O-CB 3.34Å; I92-R96 PolarHBondContact O-N 3.07Å; I92-R96 VanDerWaalsContact O-N 3.11Å |
| 93 | R | 72.4 | Confident | 72.2 | Confident | 181 Ų | 181 | 122.7 Ų | 122.7 | 68% | 0.683 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.5 | -41.2 | 177.5 | -163.5 | 175.6 | 78.8 | 96.2 | -2.5 | 112 | I89 K90 K97 | I89-R93 VanDerWaalsContact O-CB 3.27Å; I89-R93 WeakPolarHBondContact O-CB 3.4Å; I89-R93 PolarHBondContact O-N 3.19Å; K90-R93 PolarHBondContact O-N 3.23Å; R93-K97 PolarHBondContact O-N 3.49Å |
| 94 | S | 62.7 | Low | 70.5 | Confident | 71 Ų | 71 | 127.9 Ų | 127.9 | 50% | 0.497 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -73.3 | -42.1 | 179.6 | -161.7 | 0 | 0 | 0 | 0 | 112.1 | K90 V91 R96 K97 I98 | K90-S94 WeakPolarHBondContact O-CB 3.45Å; K90-S94 PolarHBondContact O-N 2.94Å; V91-S94 PolarHBondContact O-N 2.88Å; S94-R96 PolarHBondContact O-N 2.82Å; S94-K97 PolarHBondContact O-N 3.48Å; S94-I98 PolarHBondContact O-N 3.45Å; S94-I98 VanDerWaalsContact O-N 3.07Å |
| 95 | G | 63.5 | Low | 69 | Low | 32 Ų | 32 | 129.1 Ų | 129.1 | 33% | 0.33 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66 | -24.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V91 | V91-G95 WeakPolarHBondContact O-CA 3.4Å; V91-G95 PolarHBondContact O-N 2.96Å |
| 96 | R | 58 | Low | 67.8 | Low | 203 Ų | 203 | 132.2 Ų | 132.2 | 77% | 0.766 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -76.4 | -25.5 | 172.1 | -153.1 | 171.7 | -177.2 | 179.6 | -2.8 | 112.7 | I92 S94 | I92-R96 WeakPolarHBondContact O-CB 3.34Å; I92-R96 PolarHBondContact O-N 3.07Å; I92-R96 VanDerWaalsContact O-N 3.11Å; S94-R96 PolarHBondContact O-N 2.82Å |
| 97 | K | 56.4 | Low | 66.6 | Low | 174 Ų | 174 | 135 Ų | 135 | 76% | 0.757 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -79.1 | -36.9 | 172.6 | -96.9 | -167.8 | 169.4 | -165.7 | 0 | 112.6 | R93 S94 R99 | R93-K97 PolarHBondContact O-N 3.49Å; S94-K97 PolarHBondContact O-N 3.48Å; K97-R99 VanDerWaalsContact C-N 3.28Å; K97-R99 PolarHBondContact O-N 3.19Å |
| 98 | I | 60.2 | Low | 65.4 | Low | 147 Ų | 147 | 135.8 Ų | 135.8 | 75% | 0.754 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -12.8 | -175.9 | -149.1 | 72.3 | 0 | 0 | 0 | 114.3 | S94 | S94-I98 PolarHBondContact O-N 3.45Å; S94-I98 VanDerWaalsContact O-N 3.07Å |
| 99 | R | 56.7 | Low | 63.9 | Low | 217 Ų | 217 | 138.2 Ų | 138.2 | 82% | 0.819 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 4.4 | -175.8 | -83.6 | -177.7 | 158.9 | -138 | -2.1 | 115 | K97 T101 | K97-R99 VanDerWaalsContact C-N 3.28Å; K97-R99 PolarHBondContact O-N 3.19Å; R99-T101 PolarHBondContact O-N 2.76Å |
| 100 | K | 57.9 | Low | 62.5 | Low | 180 Ų | 180 | 139.2 Ų | 139.2 | 78% | 0.783 | 67% | 0.668 | S | S | * | * | trans | -77.9 | 83.5 | 165.7 | -75.5 | -165.8 | 178.3 | -175.5 | 0 | 108.4 | R102 | K100-R102 PolarHBondContact O-N 3.33Š| ||
| 101 | T | 61.6 | Low | 60.9 | Low | 92 Ų | 92 | 136.3 Ų | 136.3 | 56% | 0.564 | 67% | 0.668 | S | S | * | * | trans | -62.7 | 113.3 | 138.1 | 51.7 | 0 | 0 | 0 | 0 | 104.2 | R99 K103 I106 | R99-T101 PolarHBondContact O-N 2.76Å; T101-K103 PolarHBondContact O-N 3.43Å; T101-I106 HydrophobicContact CG2-CD1 4.31Å; T101-I106 HydrophobicContact CG2-CG1 4.26Å | ||
| 102 | R | 60.5 | Low | 59.7 | Low | 198 Ų | 198 | 137.8 Ų | 137.8 | 75% | 0.747 | 67% | 0.669 | S | S | * | * | trans | -49.6 | 147.4 | 169.6 | -104.6 | -179.7 | 175.1 | -175.9 | -0.4 | 106.2 | K100 Y104 D105 | K100-R102 PolarHBondContact O-N 3.33Å; R102-Y104 PolarHBondContact O-N 3.04Å; R102-D105 HydrophobicContact CB-CB 3.99Å; R102-D105 PolarHBondContact O-N 3.46Å | ||
| 103 | K | 58.5 | Low | 58.8 | Low | 202 Ų | 202 | 143.7 Ų | 143.7 | 88% | 0.878 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | 9 | -177.5 | -126.4 | -177.1 | -177.7 | -172 | 0 | 115.1 | T101 | T101-K103 PolarHBondContact O-N 3.43Š|
| 104 | Y | 54.4 | Low | 58.1 | Low | 205 Ų | 205 | 141.2 Ų | 141.2 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.8 | -1.4 | -177.2 | -57.9 | -74 | 0 | 0 | 0 | 113.6 | R102 | R102-Y104 PolarHBondContact O-N 3.04Š|
| 105 | D | 59.8 | Low | 57.9 | Low | 119 Ų | 119 | 146.7 Ų | 146.7 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | trans | -106.8 | 33.5 | -160.1 | -153.5 | 27.6 | 0 | 0 | 0 | 114.7 | R102 | R102-D105 HydrophobicContact CB-CB 3.99Å; R102-D105 PolarHBondContact O-N 3.46Å | ||
| 106 | I | 59.9 | Low | 57.1 | Low | 122 Ų | 122 | 152.9 Ų | 152.9 | 63% | 0.626 | 73% | 0.731 | S | S | * | * | trans | -124.9 | 72 | 165 | -46.8 | 176.3 | 0 | 0 | 0 | 106.9 | T101 T108 | T101-I106 HydrophobicContact CG2-CD1 4.31Å; T101-I106 HydrophobicContact CG2-CG1 4.26Å; I106-T108 HydrophobicContact CG2-CG2 3.53Å | ||
| 107 | I | 58.2 | Low | 57.3 | Low | 131 Ų | 131 | 147.8 Ų | 147.8 | 67% | 0.672 | 73% | 0.732 | S | S | * | * | trans | -88.3 | 96.4 | 151.2 | -51.3 | 177.4 | 0 | 0 | 0 | 104.1 | T109 | I107-T109 HydrophobicContact CG2-CG2 3.46Å; I107-T109 VanDerWaalsContact CG2-CG2 3.46Å; I107-T109 PolarHBondContact O-N 3.12Å | ||
| 108 | T | 61.7 | Low | 57.3 | Low | 117 Ų | 117 | 145.7 Ų | 145.7 | 72% | 0.718 | 74% | 0.737 | S | S | * | * | trans | -69.3 | 76.5 | 160.2 | 79.7 | 0 | 0 | 0 | 0 | 106.5 | I106 P110 | I106-T108 HydrophobicContact CG2-CG2 3.53Å; T108-P110 WeakPolarHBondContact O-CD 3.14Å | ||
| 109 | T | 54.5 | Low | 57 | Low | 100 Ų | 100 | 145.9 Ų | 145.9 | 61% | 0.613 | 74% | 0.738 | S | S | * | * | trans | -96 | 93.1 | 156.7 | 39.3 | 0 | 0 | 0 | 0 | 104.8 | I107 A111 | I107-T109 HydrophobicContact CG2-CG2 3.46Å; I107-T109 VanDerWaalsContact CG2-CG2 3.46Å; I107-T109 PolarHBondContact O-N 3.12Å; T109-A111 PolarHBondContact O-N 3.27Å | ||
| 110 | P | 54.2 | Low | 56.9 | Low | 127 Ų | 127 | 142.8 Ų | 142.8 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | trans | -70.5 | 70.9 | 162.1 | 33.7 | -32.8 | 0 | 0 | 0 | 106.3 | T108 | T108-P110 WeakPolarHBondContact O-CD 3.14Š| ||
| 111 | A | 50.7 | Low | 56.8 | Low | 70 Ų | 70 | 142 Ų | 142 | 58% | 0.579 | 74% | 0.737 | S | S | * | * | trans | -103.3 | 100.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 103.8 | T109 | T109-A111 PolarHBondContact O-N 3.27Š| ||
| 112 | E | 56.1 | Low | 56.5 | Low | 129 Ų | 129 | 146.7 Ų | 146.7 | 60% | 0.603 | 75% | 0.753 | S | S | * | * | 53.4 | 87.3 | 87.1 | -173.5 | 175.5 | 147 | 0 | 0 | 108 | V114 | E112-V114 PolarHBondContact O-N 3.45Š| |||
| 113 | R | 56.9 | Low | 56.2 | Low | 200 Ų | 200 | 143.5 Ų | 143.5 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | 44.2 | 79.3 | 146.5 | 45.6 | 173.1 | 169.3 | -103.9 | 2.8 | 114.7 | ||||
| 114 | V | 57.8 | Low | 56.1 | Low | 129 Ų | 129 | 139.6 Ų | 139.6 | 78% | 0.782 | 74% | 0.739 | S | S | * | * | trans | -130.7 | 99.8 | 146.1 | -174.5 | 0 | 0 | 0 | 0 | 107.4 | E112 M116 | E112-V114 PolarHBondContact O-N 3.45Å; V114-M116 HydrophobicContact CG1-CG 4.43Å; V114-M116 PolarHBondContact O-N 3.05Å | ||
| 115 | E | 59.1 | Low | 56 | Low | 187 Ų | 187 | 136.8 Ų | 136.8 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | trans | -53.8 | 97 | 170.8 | -67.7 | 175.7 | 140.2 | 0 | 0 | 109.7 | ||||
| 116 | M | 45 | Very low | 55.8 | Low | 161 Ų | 161 | 137.9 Ų | 137.9 | 79% | 0.793 | 74% | 0.739 | S | S | * | * | trans | -141.7 | 99.7 | 155.6 | -60.3 | -59.6 | -65.6 | 0 | 0 | 107 | V114 P118 | V114-M116 HydrophobicContact CG1-CG 4.43Å; V114-M116 PolarHBondContact O-N 3.05Å; M116-P118 WeakPolarHBondContact O-CD 3.47Å | ||
| 117 | A | 62.8 | Low | 55.7 | Low | 96 Ų | 96 | 139 Ų | 139 | 79% | 0.793 | 75% | 0.746 | S | S | * | * | trans | -63.4 | 124.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | L119 | A117-L119 PolarHBondContact O-N 3.09Š| ||
| 118 | P | 57.6 | Low | 55.8 | Low | 131 Ų | 131 | 140.4 Ų | 140.4 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | trans | -73 | 113.3 | 176.8 | 26.1 | -28.9 | 0 | 0 | 0 | 109.7 | M116 | M116-P118 WeakPolarHBondContact O-CD 3.47Š| ||
| 119 | L | 53.6 | Low | 55.9 | Low | 150 Ų | 150 | 139.9 Ų | 139.9 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | -65.4 | 131.6 | 171.1 | -115.2 | 145.3 | 0 | 0 | 0 | 109.4 | A117 E121 | A117-L119 PolarHBondContact O-N 3.09Å; L119-E121 PolarHBondContact O-N 3.43Å | ||
| 120 | N | 55 | Low | 56.2 | Low | 152 Ų | 152 | 140.2 Ų | 140.2 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | -81.5 | 95.7 | -174.2 | -175.8 | 87.9 | 0 | 0 | 0 | 110.4 | ||||
| 121 | E | 54.1 | Low | 56.6 | Low | 165 Ų | 165 | 141.5 Ų | 141.5 | 77% | 0.771 | 76% | 0.757 | S | S | * | * | trans | -130.7 | 78 | 173.2 | -62 | -172 | -156.2 | 0 | 0 | 110.3 | L119 | L119-E121 PolarHBondContact O-N 3.43Š| ||
| 122 | E | 55.8 | Low | 57 | Low | 190 Ų | 190 | 146.9 Ų | 146.9 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | trans | -88.9 | 80.8 | 156.2 | -175.7 | 179 | -164.8 | 0 | 0 | 107 | ||||
| 123 | N | 55.3 | Low | 57.2 | Low | 130 Ų | 130 | 147.3 Ų | 147.3 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | trans | -142.8 | 103.1 | 152.6 | -166.1 | 62.7 | 0 | 0 | 0 | 108.4 | D125 | N123-D125 PolarHBondContact ND2-OD1 3.23Å; N123-D125 PolarHBondContact O-N 3.36Å | ||
| 124 | D | 55.5 | Low | 57.4 | Low | 121 Ų | 121 | 143 Ų | 143 | 65% | 0.647 | 77% | 0.771 | S | S | * | * | trans | -79.6 | 94.8 | -175.6 | -171 | 27.9 | 0 | 0 | 0 | 108.8 | E126 | D124-E126 PolarHBondContact O-N 2.99Å; D124-E126 WeakPolarHBondContact OD2-CG 3.34Å | ||
| 125 | D | 51.7 | Low | 57.5 | Low | 146 Ų | 146 | 145.4 Ų | 145.4 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | trans | -79.3 | 76.9 | 168.5 | -66.7 | -34.2 | 0 | 0 | 0 | 108.4 | N123 D127 | N123-D125 PolarHBondContact ND2-OD1 3.23Å; N123-D125 PolarHBondContact O-N 3.36Å; D125-D127 PolarHBondContact O-N 3.2Å; D125-D127 VanDerWaalsContact O-N 3.16Å | ||
| 126 | E | 57 | Low | 57.3 | Low | 142 Ų | 142 | 146.9 Ų | 146.9 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | trans | -64.7 | 96.2 | 166.8 | -74.9 | -84.7 | -177.6 | 0 | 0 | 109.7 | D124 | D124-E126 PolarHBondContact O-N 2.99Å; D124-E126 WeakPolarHBondContact OD2-CG 3.34Å | ||
| 127 | D | 56.8 | Low | 57.5 | Low | 145 Ų | 145 | 153.6 Ų | 153.6 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | trans | -153.6 | 44.8 | 166.8 | -99.9 | -29.8 | 0 | 0 | 0 | 113.7 | D125 S129 | D125-D127 PolarHBondContact O-N 3.2Å; D125-D127 VanDerWaalsContact O-N 3.16Å; D127-S129 VanDerWaalsContact C-N 3.32Å; D127-S129 PolarHBondContact O-N 2.69Å | ||
| 128 | D | 60.4 | Low | 57.3 | Low | 161 Ų | 161 | 156.5 Ų | 156.5 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -88.8 | 65.5 | 168.6 | -101.8 | -8.3 | 0 | 0 | 0 | 111.7 | T130 | D128-T130 PolarHBondContact O-N 3.26Å; D128-T130 VanDerWaalsContact O-N 3.08Å | ||
| 129 | S | 63.4 | Low | 57.3 | Low | 105 Ų | 105 | 157.8 Ų | 157.8 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -77.5 | 82.7 | 169.5 | -70 | 0 | 0 | 0 | 0 | 111 | D127 L131 | D127-S129 VanDerWaalsContact C-N 3.32Å; D127-S129 PolarHBondContact O-N 2.69Å; S129-L131 VanDerWaalsContact C-N 3.28Å; S129-L131 PolarHBondContact O-N 3.17Å | ||
| 130 | T | 62.4 | Low | 57.5 | Low | 107 Ų | 107 | 158.2 Ų | 158.2 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | trans | -75.9 | 77.7 | 170.2 | 52.2 | 0 | 0 | 0 | 0 | 111.3 | D128 F132 | D128-T130 PolarHBondContact O-N 3.26Å; D128-T130 VanDerWaalsContact O-N 3.08Å; T130-F132 PolarHBondContact O-N 2.87Å | ||
| 131 | L | 61.3 | Low | 57.6 | Low | 154 Ų | 154 | 158.6 Ų | 158.6 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | -79.4 | 93.4 | 171.1 | -167.4 | 142.4 | 0 | 0 | 0 | 109 | S129 D133 | S129-L131 VanDerWaalsContact C-N 3.28Å; S129-L131 PolarHBondContact O-N 3.17Å; L131-D133 PolarHBondContact O-N 3.29Å | ||
| 132 | F | 58.7 | Low | 57.8 | Low | 183 Ų | 183 | 158.2 Ų | 158.2 | 80% | 0.803 | 78% | 0.781 | S | S | * | * | trans | -70.4 | 114.9 | 167.4 | -71 | -82.2 | 0 | 0 | 0 | 109.3 | T130 V134 | T130-F132 PolarHBondContact O-N 2.87Å; F132-V134 PolarHBondContact O-N 3.08Å | ||
| 133 | D | 60.8 | Low | 58 | Low | 139 Ų | 139 | 156.1 Ų | 156.1 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | -53.9 | 114.2 | 179.9 | -166.7 | 25.5 | 0 | 0 | 0 | 112.4 | L131 | L131-D133 PolarHBondContact O-N 3.29Š| ||
| 134 | V | 62.1 | Low | 58.2 | Low | 110 Ų | 110 | 157.9 Ų | 157.9 | 67% | 0.667 | 78% | 0.779 | S | S | * | * | trans | -98.1 | 93 | 168.3 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | F132 Y136 | F132-V134 PolarHBondContact O-N 3.08Å; V134-Y136 HydrophobicContact CG1-CD2 3.84Å; V134-Y136 HydrophobicContact CG1-CE2 3.53Å; V134-Y136 PolarHBondContact O-N 3.26Å | ||
| 135 | K | 58.2 | Low | 58.4 | Low | 178 Ų | 178 | 160.8 Ų | 160.8 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | trans | -66.6 | 111.7 | 173.6 | -176.9 | 176.4 | -178.7 | 177.9 | 0 | 110.7 | ||||
| 136 | Y | 55.4 | Low | 58.9 | Low | 218 Ų | 218 | 162 Ų | 162 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -104.8 | 104.5 | 160.8 | -82.8 | -84.7 | 0 | 0 | 0 | 109.7 | V134 | V134-Y136 HydrophobicContact CG1-CD2 3.84Å; V134-Y136 HydrophobicContact CG1-CE2 3.53Å; V134-Y136 PolarHBondContact O-N 3.26Å | ||
| 137 | R | 50.3 | Low | 59.1 | Low | 302 Ų | 302 | 163.8 Ų | 163.8 | 100% | 1.14 | 80% | 0.801 | S | S | * | * | trans | -162.9 | 0 | 148 | -162.2 | 171.5 | -167.6 | 166.7 | 3.5 | 111.2 |
Retrieved 137 of 137 residues in 128.6 ms
(Link to these results)