| 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 | 43.6 | Very low | 50.5 | Low | 204 Ų | 204 | 120.5 Ų | 120.5 | 100% | 1.005 | 61% | 0.611 | S | S | * | * | 0 | -26 | 0 | -116.2 | 173.3 | 92.5 | 0 | 0 | 113.7 | T4 T5 | M1-T4 PolarHBondContact O-OG1 3.19Å; M1-T5 PolarHBondContact O-OG1 3.26Å | |||
| 2 | Q | 53.6 | Low | 50.8 | Low | 179 Ų | 179 | 118.8 Ų | 118.8 | 84% | 0.836 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -76.9 | -28.9 | -175.6 | -71.8 | 177 | -38 | 0 | 0 | 115.1 | L6 | Q2-L6 PolarHBondContact O-N 3.39Å; Q2-L6 VanDerWaalsContact O-N 3.13Å |
| 3 | F | 34.7 | Very low | 51.6 | Low | 150 Ų | 150 | 123.5 Ų | 123.5 | 66% | 0.658 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72 | -43.6 | -177.8 | -161.8 | -100.4 | 0 | 0 | 0 | 112.9 | T5 L6 V7 | F3-T5 PolarHBondContact O-N 3.16Å; F3-L6 PolarHBondContact O-N 2.69Å; F3-V7 HydrophobicContact CD1-CG2 4.39Å; F3-V7 HydrophobicContact CE1-CG2 4.28Å; F3-V7 WeakPolarHBondContact O-CG2 3.24Å; F3-V7 PolarHBondContact O-N 3.3Å |
| 4 | T | 43.9 | Very low | 51.6 | Low | 96 Ų | 96 | 121.2 Ų | 121.2 | 59% | 0.589 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.4 | -35.5 | 177.2 | 43.7 | 0 | 0 | 0 | 0 | 112.4 | M1 F8 | M1-T4 PolarHBondContact O-OG1 3.19Å; T4-F8 WeakPolarHBondContact O-CB 3.41Å; T4-F8 PolarHBondContact O-N 3.5Å |
| 5 | T | 50.6 | Low | 51.4 | Low | 71 Ų | 71 | 118.7 Ų | 118.7 | 44% | 0.436 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69 | -36 | 175.7 | -48.4 | 0 | 0 | 0 | 0 | 111.9 | M1 F3 F8 L9 | M1-T5 PolarHBondContact O-OG1 3.26Å; F3-T5 PolarHBondContact O-N 3.16Å; T5-F8 PolarHBondContact O-N 2.71Å; T5-L9 HydrophobicContact CG2-CD1 4.2Å; T5-L9 WeakPolarHBondContact O-CB 3.1Å; T5-L9 VanDerWaalsContact O-CG 3.24Å; T5-L9 WeakPolarHBondContact O-CG 3.34Å; T5-L9 PolarHBondContact O-N 2.93Å |
| 6 | L | 50.4 | Low | 51.6 | Low | 111 Ų | 111 | 117.4 Ų | 117.4 | 58% | 0.581 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.1 | -43.7 | 175.9 | -165.6 | 73.9 | 0 | 0 | 0 | 111.6 | Q2 F3 F8 L9 V10 | Q2-L6 PolarHBondContact O-N 3.39Å; Q2-L6 VanDerWaalsContact O-N 3.13Å; F3-L6 PolarHBondContact O-N 2.69Å; L6-F8 VanDerWaalsContact C-N 3.3Å; L6-F8 PolarHBondContact O-N 3.1Å; L6-L9 PolarHBondContact O-N 3.24Å; L6-V10 WeakPolarHBondContact O-CG2 3.28Å; L6-V10 PolarHBondContact O-N 3.09Å |
| 7 | V | 50.8 | Low | 51.6 | Low | 73 Ų | 73 | 114.6 Ų | 114.6 | 44% | 0.442 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -59.7 | -42.1 | 173.3 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | F3 V10 Q11 | F3-V7 HydrophobicContact CD1-CG2 4.39Å; F3-V7 HydrophobicContact CE1-CG2 4.28Å; F3-V7 WeakPolarHBondContact O-CG2 3.24Å; F3-V7 PolarHBondContact O-N 3.3Å; V7-V10 PolarHBondContact O-N 2.94Å; V7-Q11 WeakPolarHBondContact O-CB 3.41Å; V7-Q11 PolarHBondContact O-N 3.32Å |
| 8 | F | 60.1 | Low | 51 | Low | 153 Ų | 153 | 111.7 Ų | 111.7 | 67% | 0.671 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.9 | -38.2 | 176.6 | -129.6 | -88.6 | 0 | 0 | 0 | 112.9 | T4 T5 L6 Q11 L12 | T4-F8 WeakPolarHBondContact O-CB 3.41Å; T4-F8 PolarHBondContact O-N 3.5Å; T5-F8 PolarHBondContact O-N 2.71Å; L6-F8 VanDerWaalsContact C-N 3.3Å; L6-F8 PolarHBondContact O-N 3.1Å; F8-Q11 PolarHBondContact O-N 3.15Å; F8-L12 WeakPolarHBondContact O-CB 3.39Å; F8-L12 PolarHBondContact O-N 3.09Å |
| 9 | L | 61.1 | Low | 50.2 | Low | 102 Ų | 102 | 114.7 Ų | 114.7 | 53% | 0.534 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71 | -35.2 | 178.3 | -74 | 169.8 | 0 | 0 | 0 | 112.3 | T5 L6 L12 W13 | T5-L9 HydrophobicContact CG2-CD1 4.2Å; T5-L9 WeakPolarHBondContact O-CB 3.1Å; T5-L9 VanDerWaalsContact O-CG 3.24Å; T5-L9 WeakPolarHBondContact O-CG 3.34Å; T5-L9 PolarHBondContact O-N 2.93Å; L6-L9 PolarHBondContact O-N 3.24Å; L9-L12 PolarHBondContact O-N 3.12Å; L9-W13 VanDerWaalsContact O-CB 3.32Å; L9-W13 WeakPolarHBondContact O-CB 3.29Å; L9-W13 PolarHBondContact O-N 3.04Å |
| 10 | V | 56.5 | Low | 49.3 | Very low | 72 Ų | 72 | 111.9 Ų | 111.9 | 44% | 0.436 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.7 | -42.1 | 172.4 | 174 | 0 | 0 | 0 | 0 | 110.5 | L6 V7 L12 W13 I14 | L6-V10 WeakPolarHBondContact O-CG2 3.28Å; L6-V10 PolarHBondContact O-N 3.09Å; V7-V10 PolarHBondContact O-N 2.94Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-L12 PolarHBondContact O-N 3.14Å; V10-W13 PolarHBondContact O-N 3.35Å; V10-I14 HydrophobicContact CG1-CD1 3.97Å; V10-I14 VanDerWaalsContact O-CG1 3.31Å; V10-I14 WeakPolarHBondContact O-CG1 3.49Å; V10-I14 PolarHBondContact O-N 3.41Å |
| 11 | Q | 50.3 | Low | 48.7 | Very low | 115 Ų | 115 | 114 Ų | 114 | 54% | 0.537 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -60.5 | -42.9 | 173.3 | -154.8 | 79.1 | 7.6 | 0 | 0 | 111.7 | V7 F8 I14 C15 | V7-Q11 WeakPolarHBondContact O-CB 3.41Å; V7-Q11 PolarHBondContact O-N 3.32Å; F8-Q11 PolarHBondContact O-N 3.15Å; Q11-I14 PolarHBondContact O-N 2.92Å; Q11-C15 PolarHBondContact O-N 3.28Å; Q11-C15 PolarHBondContact O-SG 3.03Å; Q11-C15 VanDerWaalsContact O-SG 3.38Å |
| 12 | L | 53.9 | Low | 48.1 | Very low | 99 Ų | 99 | 112 Ų | 112 | 52% | 0.518 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.1 | -39.7 | 177.3 | -148.8 | 93.8 | 0 | 0 | 0 | 111.2 | F8 L9 V10 C15 V16 | F8-L12 WeakPolarHBondContact O-CB 3.39Å; F8-L12 PolarHBondContact O-N 3.09Å; L9-L12 PolarHBondContact O-N 3.12Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-L12 PolarHBondContact O-N 3.14Å; L12-C15 PolarHBondContact O-N 3.21Å; L12-V16 VanDerWaalsContact O-CB 3.31Å; L12-V16 WeakPolarHBondContact O-CB 3.48Å; L12-V16 WeakPolarHBondContact O-CG2 3.37Å; L12-V16 PolarHBondContact O-N 2.87Å |
| 13 | W | 60.8 | Low | 47.5 | Very low | 180 Ų | 180 | 110 Ų | 110 | 68% | 0.682 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.5 | -36.9 | 177.9 | -174.6 | 67.1 | 0 | 0 | 0 | 112.2 | L9 V10 V16 S17 | L9-W13 VanDerWaalsContact O-CB 3.32Å; L9-W13 WeakPolarHBondContact O-CB 3.29Å; L9-W13 PolarHBondContact O-N 3.04Å; V10-W13 PolarHBondContact O-N 3.35Å; W13-V16 PolarHBondContact O-N 3.1Å; W13-S17 PolarHBondContact NE1-OG 3.46Å; W13-S17 WeakPolarHBondContact O-CB 3.45Å; W13-S17 PolarHBondContact O-N 2.82Å; W13-S17 PolarHBondContact O-OG 3.04Å |
| 14 | I | 52.5 | Low | 47.5 | Very low | 92 Ų | 92 | 109.3 Ų | 109.3 | 47% | 0.472 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.1 | -43.3 | 173 | -66.3 | 165.8 | 0 | 0 | 0 | 110.9 | V10 Q11 V16 G18 | V10-I14 HydrophobicContact CG1-CD1 3.97Å; V10-I14 VanDerWaalsContact O-CG1 3.31Å; V10-I14 WeakPolarHBondContact O-CG1 3.49Å; V10-I14 PolarHBondContact O-N 3.41Å; Q11-I14 PolarHBondContact O-N 2.92Å; I14-V16 VanDerWaalsContact C-N 3.33Å; I14-V16 PolarHBondContact O-N 2.99Å; I14-G18 PolarHBondContact O-N 2.87Å; I14-G18 VanDerWaalsContact O-N 3.1Å |
| 15 | C | 48.8 | Very low | 47.4 | Very low | 83 Ų | 83 | 111.1 Ų | 111.1 | 56% | 0.561 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.1 | -34.3 | 176.1 | -73.5 | 0 | 0 | 0 | 0 | 113.3 | Q11 L12 H19 | Q11-C15 PolarHBondContact O-N 3.28Å; Q11-C15 PolarHBondContact O-SG 3.03Å; Q11-C15 VanDerWaalsContact O-SG 3.38Å; L12-C15 PolarHBondContact O-N 3.21Å; C15-H19 PolarHBondContact O-ND1 2.93Å |
| 16 | V | 54.8 | Low | 46.9 | Very low | 98 Ų | 98 | 113 Ų | 113 | 59% | 0.594 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -82.5 | -33.5 | 179.9 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | L12 W13 I14 G18 H19 | L12-V16 VanDerWaalsContact O-CB 3.31Å; L12-V16 WeakPolarHBondContact O-CB 3.48Å; L12-V16 WeakPolarHBondContact O-CG2 3.37Å; L12-V16 PolarHBondContact O-N 2.87Å; W13-V16 PolarHBondContact O-N 3.1Å; I14-V16 VanDerWaalsContact C-N 3.33Å; I14-V16 PolarHBondContact O-N 2.99Å; V16-G18 VanDerWaalsContact C-N 3.29Å; V16-G18 PolarHBondContact O-N 3.22Å; V16-H19 PolarHBondContact O-N 3.34Å |
| 17 | S | 51.3 | Low | 46.7 | Very low | 70 Ų | 70 | 115.5 Ų | 115.5 | 49% | 0.49 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -77.4 | -15.1 | 176.5 | -54.3 | 0 | 0 | 0 | 0 | 113 | W13 H19 | W13-S17 PolarHBondContact NE1-OG 3.46Å; W13-S17 WeakPolarHBondContact O-CB 3.45Å; W13-S17 PolarHBondContact O-N 2.82Å; W13-S17 PolarHBondContact O-OG 3.04Å; S17-H19 PolarHBondContact O-N 3.06Å |
| 18 | G | 39.6 | Very low | 46.6 | Very low | 62 Ų | 62 | 119.6 Ų | 119.6 | 64% | 0.639 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 0.2 | 169 | 0 | 0 | 0 | 0 | 0 | 115 | I14 V16 | I14-G18 PolarHBondContact O-N 2.87Å; I14-G18 VanDerWaalsContact O-N 3.1Å; V16-G18 VanDerWaalsContact C-N 3.29Å; V16-G18 PolarHBondContact O-N 3.22Å |
| 19 | H | 36.4 | Very low | 46.1 | Very low | 169 Ų | 169 | 117 Ų | 117 | 78% | 0.782 | 64% | 0.639 | S | S | * | * | trans | -110.1 | 76.9 | 176.6 | -79.1 | 74.4 | 0 | 0 | 0 | 110.3 | C15 V16 S17 | C15-H19 PolarHBondContact O-ND1 2.93Å; V16-H19 PolarHBondContact O-N 3.34Å; S17-H19 PolarHBondContact O-N 3.06Å | ||
| 20 | G | 32.3 | Very low | 45.5 | Very low | 59 Ų | 59 | 116.4 Ų | 116.4 | 61% | 0.608 | 64% | 0.642 | S | S | * | * | trans | -125.3 | 86.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 21 | H | 36.4 | Very low | 45.2 | Very low | 157 Ų | 157 | 116.7 Ų | 116.7 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | trans | 64.6 | 100.2 | 157 | -63 | -77.2 | 0 | 0 | 0 | 120.2 | H23 | H21-H23 PolarHBondContact O-N 2.87Š| ||
| 22 | D | 31.8 | Very low | 45.3 | Very low | 162 Ų | 162 | 122.5 Ų | 122.5 | 87% | 0.866 | 66% | 0.657 | S | S | * | * | trans | -56.5 | 99.3 | 146 | -71.3 | -46.8 | 0 | 0 | 0 | 109.8 | V24 | D22-V24 PolarHBondContact O-N 3.09Š| ||
| 23 | H | 41.3 | Very low | 45.2 | Very low | 137 Ų | 137 | 126.3 Ų | 126.3 | 63% | 0.634 | 67% | 0.669 | S | S | * | * | trans | -87.4 | 89.6 | 156.1 | -74 | -65.3 | 0 | 0 | 0 | 108.3 | H21 H25 | H21-H23 PolarHBondContact O-N 2.87Å; H23-H25 PolarHBondContact O-N 3.31Å | ||
| 24 | V | 34.4 | Very low | 44.8 | Very low | 134 Ų | 134 | 125 Ų | 125 | 81% | 0.812 | 67% | 0.665 | S | S | * | * | trans | -65.9 | 85.1 | 157.5 | 177.9 | 0 | 0 | 0 | 0 | 106.8 | D22 S26 | D22-V24 PolarHBondContact O-N 3.09Å; V24-S26 PolarHBondContact O-N 2.97Å | ||
| 25 | H | 42.4 | Very low | 45.5 | Very low | 134 Ų | 134 | 123.8 Ų | 123.8 | 62% | 0.62 | 67% | 0.665 | S | S | * | * | trans | -72.6 | 113.3 | 157.1 | -72.3 | -68.6 | 0 | 0 | 0 | 106.5 | H23 H27 | H23-H25 PolarHBondContact O-N 3.31Å; H25-H27 VanDerWaalsContact C-N 3.25Å; H25-H27 PolarHBondContact O-N 3.46Å | ||
| 26 | S | 40.1 | Very low | 46.1 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | trans | -54.9 | 97.4 | 160.3 | 53.1 | 0 | 0 | 0 | 0 | 107.5 | V24 E28 | V24-S26 PolarHBondContact O-N 2.97Å; S26-E28 VanDerWaalsContact C-N 3.27Å; S26-E28 PolarHBondContact O-N 3.19Å | ||
| 27 | H | 45 | Very low | 46.7 | Very low | 164 Ų | 164 | 130.3 Ų | 130.3 | 76% | 0.759 | 68% | 0.678 | S | S | * | * | trans | -63.6 | 97.1 | 165.9 | -76 | -73.8 | 0 | 0 | 0 | 106.7 | H25 P29 | H25-H27 VanDerWaalsContact C-N 3.25Å; H25-H27 PolarHBondContact O-N 3.46Å; H27-P29 WeakPolarHBondContact O-CD 3.26Å | ||
| 28 | E | 49.3 | Very low | 47.1 | Very low | 158 Ų | 158 | 129.4 Ų | 129.4 | 74% | 0.738 | 68% | 0.675 | S | S | * | * | trans | -59.8 | 118 | 156.8 | -146.8 | 176.1 | -159.2 | 0 | 0 | 105.2 | S26 | S26-E28 VanDerWaalsContact C-N 3.27Å; S26-E28 PolarHBondContact O-N 3.19Å | ||
| 29 | P | 48.5 | Very low | 48.3 | Very low | 98 Ų | 98 | 128.9 Ų | 128.9 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | trans | -57.4 | 146.2 | 176.4 | 24.8 | -31.4 | 0 | 0 | 0 | 107.6 | H27 H31 | H27-P29 WeakPolarHBondContact O-CD 3.26Å; P29-H31 PolarHBondContact O-N 3.47Å | ||
| 30 | P | 48.8 | Very low | 49.8 | Very low | 91 Ų | 91 | 124.6 Ų | 124.6 | 59% | 0.591 | 64% | 0.643 | S | S | * | * | trans | -53.1 | 107 | -179.8 | 20.9 | -31.2 | 0 | 0 | 0 | 108.1 | Y32 | P30-Y32 PolarHBondContact O-N 2.85Š| ||
| 31 | H | 49.6 | Very low | 51.5 | Low | 77 Ų | 77 | 123.2 Ų | 123.2 | 36% | 0.356 | 63% | 0.628 | S | S | . | * | trans | -63.6 | 128.4 | 178.4 | 54.1 | -93.5 | 0 | 0 | 0 | 105.8 | P29 K33 Y34 | P29-H31 PolarHBondContact O-N 3.47Å; H31-K33 HydrophobicContact CB-CB 4.44Å; H31-K33 WeakPolarHBondContact CD2-CB 3.4Å; H31-K33 PolarHBondContact O-N 2.82Å; H31-Y34 AromaticContact CD2-CD2 3.79Å; H31-Y34 AromaticContact CE1-CD2 3.91Å; H31-Y34 AromaticContact NE2-CD2 2.9Å; H31-Y34 WeakPolarHBondContact NE2-CD2 3.39Å; H31-Y34 AromaticContact NE2-CE2 3.12Å; H31-Y34 WeakPolarHBondContact NE2-CE2 3.34Å | ||
| 32 | Y | 52.9 | Low | 53 | Low | 238 Ų | 238 | 123.3 Ų | 123.3 | 93% | 0.933 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 12.9 | 175.1 | -77.1 | -92.5 | 0 | 0 | 0 | 113.3 | P30 | P30-Y32 PolarHBondContact O-N 2.85Š|
| 33 | K | 52.6 | Low | 54.7 | Low | 178 Ų | 178 | 122 Ų | 122 | 77% | 0.774 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -15.8 | -176 | -139.9 | -179.4 | 179.7 | -179.1 | 0 | 113.5 | H31 | H31-K33 HydrophobicContact CB-CB 4.44Å; H31-K33 WeakPolarHBondContact CD2-CB 3.4Å; H31-K33 PolarHBondContact O-N 2.82Å |
| 34 | Y | 52 | Low | 56 | Low | 152 Ų | 152 | 121.5 Ų | 121.5 | 60% | 0.596 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -117.7 | 151.5 | 169.8 | -64 | -62.9 | 0 | 0 | 0 | 111.5 | H31 | H31-Y34 AromaticContact CD2-CD2 3.79Å; H31-Y34 AromaticContact CE1-CD2 3.91Å; H31-Y34 AromaticContact NE2-CD2 2.9Å; H31-Y34 WeakPolarHBondContact NE2-CD2 3.39Å; H31-Y34 AromaticContact NE2-CE2 3.12Å; H31-Y34 WeakPolarHBondContact NE2-CE2 3.34Å |
| 35 | S | 66.5 | Low | 57.5 | Low | 67 Ų | 67 | 119.8 Ų | 119.8 | 47% | 0.469 | 59% | 0.594 | S | S | . | * | trans | -56.7 | 152.5 | -175.4 | 85.9 | 0 | 0 | 0 | 0 | 111 | E37 A38 | S35-E37 VanDerWaalsContact CB-OE2 3.25Å; S35-E37 WeakPolarHBondContact CB-OE2 3.36Å; S35-E37 PolarHBondContact O-N 2.92Å; S35-E37 PolarHBondContact OG-OE2 2.7Å; S35-A38 PolarHBondContact O-N 3.05Å | ||
| 36 | K | 62.7 | Low | 58.4 | Low | 176 Ų | 176 | 117.3 Ų | 117.3 | 77% | 0.765 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -51.3 | -32.3 | 179.2 | -165.5 | 178.2 | 179.3 | -176.3 | 0 | 111.7 | V40 | K36-V40 VanDerWaalsContact O-CG2 3.31Å; K36-V40 WeakPolarHBondContact O-CG2 3.45Å; K36-V40 PolarHBondContact O-N 3.01Å |
| 37 | E | 66.7 | Low | 59.3 | Low | 143 Ų | 143 | 117 Ų | 117 | 67% | 0.668 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.5 | -37.9 | 175.9 | -63.8 | 84.7 | -161.2 | 0 | 0 | 113.9 | S35 V40 G41 | S35-E37 VanDerWaalsContact CB-OE2 3.25Å; S35-E37 WeakPolarHBondContact CB-OE2 3.36Å; S35-E37 PolarHBondContact O-N 2.92Å; S35-E37 PolarHBondContact OG-OE2 2.7Å; E37-V40 PolarHBondContact O-N 3.5Å; E37-G41 PolarHBondContact O-N 3.3Å |
| 38 | A | 60.5 | Low | 60 | Low | 50 Ų | 50 | 118.5 Ų | 118.5 | 41% | 0.413 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.2 | -37.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S35 V40 G41 Y42 | S35-A38 PolarHBondContact O-N 3.05Å; A38-V40 VanDerWaalsContact C-N 3.33Å; A38-G41 PolarHBondContact O-N 2.78Å; A38-Y42 PolarHBondContact O-N 3.25Å |
| 39 | N | 63.8 | Low | 60.4 | Low | 52 Ų | 52 | 117 Ų | 117 | 28% | 0.278 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.2 | -30.7 | 175.8 | -77.2 | -28.5 | 0 | 0 | 0 | 112.5 | K43 | N39-K43 WeakPolarHBondContact O-CB 3.24Å; N39-K43 PolarHBondContact O-N 3.36Å; N39-K43 VanDerWaalsContact O-N 3.08Å |
| 40 | V | 68.1 | Low | 60.9 | Low | 79 Ų | 79 | 115.8 Ų | 115.8 | 48% | 0.479 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67 | -44.4 | 175.3 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | K36 E37 A38 K43 Q44 | K36-V40 VanDerWaalsContact O-CG2 3.31Å; K36-V40 WeakPolarHBondContact O-CG2 3.45Å; K36-V40 PolarHBondContact O-N 3.01Å; E37-V40 PolarHBondContact O-N 3.5Å; A38-V40 VanDerWaalsContact C-N 3.33Å; V40-K43 PolarHBondContact O-N 2.97Å; V40-Q44 PolarHBondContact O-N 3.33Å |
| 41 | G | 68.1 | Low | 61.5 | Low | 29 Ų | 29 | 120 Ų | 120 | 30% | 0.299 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.1 | -43.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | E37 A38 Q44 N45 | E37-G41 PolarHBondContact O-N 3.3Å; A38-G41 PolarHBondContact O-N 2.78Å; G41-Q44 PolarHBondContact O-N 3.08Å; G41-N45 WeakPolarHBondContact O-CB 3.44Å; G41-N45 PolarHBondContact O-N 3.08Å; G41-N45 PolarHBondContact O-ND2 3.49Å |
| 42 | Y | 68.4 | Low | 61.9 | Low | 160 Ų | 160 | 120.5 Ų | 120.5 | 63% | 0.627 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.2 | -46.3 | 174.6 | 178.8 | -97.8 | 0 | 0 | 0 | 111.8 | A38 Q44 N45 H46 | A38-Y42 PolarHBondContact O-N 3.25Å; Y42-Q44 PolarHBondContact O-N 3.41Å; Y42-N45 PolarHBondContact O-N 3.03Å; Y42-H46 AromaticContact CZ-CD2 3.87Å; Y42-H46 WeakPolarHBondContact O-CB 3.36Å; Y42-H46 PolarHBondContact O-N 3.12Å |
| 43 | K | 67 | Low | 62.3 | Low | 134 Ų | 134 | 113.8 Ų | 113.8 | 58% | 0.583 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.7 | -42.7 | -179.5 | -157.4 | 178.7 | -177.8 | -173.3 | 0 | 111.9 | N39 V40 H46 E47 | N39-K43 WeakPolarHBondContact O-CB 3.24Å; N39-K43 PolarHBondContact O-N 3.36Å; N39-K43 VanDerWaalsContact O-N 3.08Å; V40-K43 PolarHBondContact O-N 2.97Å; K43-H46 PolarHBondContact O-N 3.31Å; K43-E47 WeakPolarHBondContact O-CB 3.5Å; K43-E47 VanDerWaalsContact O-CG 3.29Å; K43-E47 WeakPolarHBondContact O-CG 3.46Å; K43-E47 PolarHBondContact O-N 3.21Å |
| 44 | Q | 68.3 | Low | 63.6 | Low | 127 Ų | 127 | 108.7 Ų | 108.7 | 59% | 0.593 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.1 | -44 | 174.1 | -96.2 | -175.9 | -26.5 | 0 | 0 | 112.7 | V40 G41 Y42 R48 | V40-Q44 PolarHBondContact O-N 3.33Å; G41-Q44 PolarHBondContact O-N 3.08Å; Y42-Q44 PolarHBondContact O-N 3.41Å; Q44-R48 VanDerWaalsContact O-CB 3.25Å; Q44-R48 WeakPolarHBondContact O-CB 3.29Å; Q44-R48 PolarHBondContact O-N 2.91Å |
| 45 | N | 66 | Low | 65.2 | Low | 97 Ų | 97 | 102.2 Ų | 102.2 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 178.7 | -75.8 | -21.3 | 0 | 0 | 0 | 111.4 | G41 Y42 R48 E49 | G41-N45 WeakPolarHBondContact O-CB 3.44Å; G41-N45 PolarHBondContact O-N 3.08Å; G41-N45 PolarHBondContact O-ND2 3.49Å; Y42-N45 PolarHBondContact O-N 3.03Å; N45-R48 PolarHBondContact O-N 3.28Å; N45-E49 PolarHBondContact O-N 2.8Å |
| 46 | H | 60.9 | Low | 66.1 | Low | 82 Ų | 82 | 103 Ų | 103 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 178.9 | -160.9 | -57.3 | 0 | 0 | 0 | 112 | Y42 K43 R48 E49 T50 | Y42-H46 AromaticContact CZ-CD2 3.87Å; Y42-H46 WeakPolarHBondContact O-CB 3.36Å; Y42-H46 PolarHBondContact O-N 3.12Å; K43-H46 PolarHBondContact O-N 3.31Å; H46-R48 VanDerWaalsContact C-N 3.3Å; H46-R48 PolarHBondContact O-N 3.36Å; H46-E49 PolarHBondContact O-N 2.94Å; H46-T50 VanDerWaalsContact O-CG2 3.31Å; H46-T50 WeakPolarHBondContact O-CG2 3.27Å; H46-T50 PolarHBondContact O-N 3.11Å; H46-T50 PolarHBondContact O-OG1 3.33Å; H46-T50 VanDerWaalsContact O-OG1 3.05Å |
| 47 | E | 60.1 | Low | 67.4 | Low | 105 Ų | 105 | 100 Ų | 100 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.6 | -40 | 173.4 | -76.1 | 171.3 | -176.2 | 0 | 0 | 111.1 | K43 T50 R51 | K43-E47 WeakPolarHBondContact O-CB 3.5Å; K43-E47 VanDerWaalsContact O-CG 3.29Å; K43-E47 WeakPolarHBondContact O-CG 3.46Å; K43-E47 PolarHBondContact O-N 3.21Å; E47-T50 WeakPolarHBondContact CA-OG1 3.44Å; E47-T50 PolarHBondContact O-OG1 3.22Å; E47-R51 WeakPolarHBondContact O-CB 3.35Å; E47-R51 PolarHBondContact O-N 3.39Å |
| 48 | R | 59.1 | Low | 68.6 | Low | 196 Ų | 196 | 94.4 Ų | 94.4 | 74% | 0.74 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -68.4 | -40.1 | 178.4 | -157.7 | 178.4 | -166.6 | -171.1 | 3.4 | 112.5 | Q44 N45 H46 K52 | Q44-R48 VanDerWaalsContact O-CB 3.25Å; Q44-R48 WeakPolarHBondContact O-CB 3.29Å; Q44-R48 PolarHBondContact O-N 2.91Å; N45-R48 PolarHBondContact O-N 3.28Å; H46-R48 VanDerWaalsContact C-N 3.3Å; H46-R48 PolarHBondContact O-N 3.36Å; R48-K52 WeakPolarHBondContact O-CB 3.31Å; R48-K52 PolarHBondContact O-N 3.46Å; R48-K52 VanDerWaalsContact O-N 3.12Å |
| 49 | E | 58.1 | Low | 70.1 | Confident | 126 Ų | 126 | 93.1 Ų | 93.1 | 59% | 0.589 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.7 | -48.8 | 173.7 | -78.2 | 179.8 | 167.2 | 0 | 0 | 111.2 | N45 H46 R51 K52 D53 | N45-E49 PolarHBondContact O-N 2.8Å; H46-E49 PolarHBondContact O-N 2.94Å; E49-R51 VanDerWaalsContact C-N 3.28Å; E49-R51 PolarHBondContact O-N 3.5Å; E49-K52 WeakPolarHBondContact O-CB 3.18Å; E49-K52 PolarHBondContact O-N 2.92Å; E49-D53 PolarHBondContact O-N 3.41Å |
| 50 | T | 59.4 | Low | 71.6 | Confident | 73 Ų | 73 | 95.9 Ų | 95.9 | 45% | 0.448 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.3 | -36.9 | 178.3 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | H46 E47 K52 S54 | H46-T50 VanDerWaalsContact O-CG2 3.31Å; H46-T50 WeakPolarHBondContact O-CG2 3.27Å; H46-T50 PolarHBondContact O-N 3.11Å; H46-T50 PolarHBondContact O-OG1 3.33Å; H46-T50 VanDerWaalsContact O-OG1 3.05Å; E47-T50 WeakPolarHBondContact CA-OG1 3.44Å; E47-T50 PolarHBondContact O-OG1 3.22Å; T50-K52 VanDerWaalsContact C-N 3.34Å; T50-S54 WeakPolarHBondContact O-CB 3.42Å; T50-S54 PolarHBondContact O-N 3.01Å |
| 51 | R | 60.1 | Low | 72.8 | Confident | 180 Ų | 180 | 94.5 Ų | 94.5 | 68% | 0.679 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -69.3 | -34.1 | 176.3 | -175.2 | 177.2 | 177.4 | -170.8 | -0.9 | 111.9 | E47 E49 S55 | E47-R51 WeakPolarHBondContact O-CB 3.35Å; E47-R51 PolarHBondContact O-N 3.39Å; E49-R51 VanDerWaalsContact C-N 3.28Å; E49-R51 PolarHBondContact O-N 3.5Å; R51-S55 PolarHBondContact O-N 2.96Å; R51-S55 VanDerWaalsContact O-N 3.15Å; R51-S55 PolarHBondContact O-OG 2.99Å |
| 52 | K | 59.3 | Low | 74.2 | Confident | 87 Ų | 87 | 93.1 Ų | 93.1 | 38% | 0.378 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.3 | -48.2 | 178.6 | -169.3 | -173.9 | 174.1 | -158.4 | 0 | 111.1 | R48 E49 T50 S54 S55 E56 | R48-K52 WeakPolarHBondContact O-CB 3.31Å; R48-K52 PolarHBondContact O-N 3.46Å; R48-K52 VanDerWaalsContact O-N 3.12Å; E49-K52 WeakPolarHBondContact O-CB 3.18Å; E49-K52 PolarHBondContact O-N 2.92Å; T50-K52 VanDerWaalsContact C-N 3.34Å; K52-S54 VanDerWaalsContact C-N 3.29Å; K52-S54 PolarHBondContact O-N 3.24Å; K52-S55 WeakPolarHBondContact O-CB 3.5Å; K52-S55 PolarHBondContact O-N 2.83Å; K52-E56 VanDerWaalsContact CE-OE1 3.28Å; K52-E56 WeakPolarHBondContact CE-OE1 3.12Å; K52-E56 IonicContact NZ-OE1 3.12Å; K52-E56 PolarHBondContact O-N 3.49Å |
| 53 | D | 61 | Low | 75.5 | Confident | 96 Ų | 96 | 89.1 Ų | 89.1 | 51% | 0.513 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 178.3 | -73.9 | -7.3 | 0 | 0 | 0 | 111.5 | E49 S55 E56 Q57 | E49-D53 PolarHBondContact O-N 3.41Å; D53-S55 VanDerWaalsContact C-N 3.32Å; D53-S55 PolarHBondContact O-N 3.46Å; D53-E56 PolarHBondContact O-N 2.97Å; D53-Q57 WeakPolarHBondContact O-CB 3.41Å; D53-Q57 VanDerWaalsContact O-CG 3.29Å; D53-Q57 WeakPolarHBondContact O-CG 3.28Å; D53-Q57 PolarHBondContact O-N 3.49Å |
| 54 | S | 80.4 | Confident | 76.9 | Confident | 72 Ų | 72 | 84.6 Ų | 84.6 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.3 | -33.8 | 174.7 | 174.4 | 0 | 0 | 0 | 0 | 113.1 | T50 K52 L58 | T50-S54 WeakPolarHBondContact O-CB 3.42Å; T50-S54 PolarHBondContact O-N 3.01Å; K52-S54 VanDerWaalsContact C-N 3.29Å; K52-S54 PolarHBondContact O-N 3.24Å; S54-L58 WeakPolarHBondContact O-CB 3.24Å; S54-L58 PolarHBondContact O-N 3.45Å |
| 55 | S | 84.1 | Confident | 78.2 | Confident | 15 Ų | 15 | 78.9 Ų | 78.9 | 11% | 0.105 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -72.4 | -42.7 | 179 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | R51 K52 D53 L58 W59 | R51-S55 PolarHBondContact O-N 2.96Å; R51-S55 VanDerWaalsContact O-N 3.15Å; R51-S55 PolarHBondContact O-OG 2.99Å; K52-S55 WeakPolarHBondContact O-CB 3.5Å; K52-S55 PolarHBondContact O-N 2.83Å; D53-S55 VanDerWaalsContact C-N 3.32Å; D53-S55 PolarHBondContact O-N 3.46Å; S55-L58 WeakPolarHBondContact O-CB 3.39Å; S55-L58 PolarHBondContact O-N 3.06Å; S55-W59 VanDerWaalsContact O-CD1 3.31Å; S55-W59 PolarHBondContact O-N 3.43Å |
| 56 | E | 85.4 | Confident | 79.7 | Confident | 83 Ų | 83 | 74.3 Ų | 74.3 | 39% | 0.388 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 177.7 | -68.9 | -174.6 | -172.1 | 0 | 0 | 111.4 | K52 D53 L58 W59 V60 G295 | K52-E56 VanDerWaalsContact CE-OE1 3.28Å; K52-E56 WeakPolarHBondContact CE-OE1 3.12Å; K52-E56 IonicContact NZ-OE1 3.12Å; K52-E56 PolarHBondContact O-N 3.49Å; D53-E56 PolarHBondContact O-N 2.97Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 3.17Å; E56-W59 PolarHBondContact O-N 3.45Å; E56-V60 WeakPolarHBondContact O-CG2 3.41Å; E56-V60 PolarHBondContact O-N 3.48Å; E56-V60 VanDerWaalsContact O-N 3.17Å; E56-G295 WeakPolarHBondContact OE1-CA 3.43Å |
| 57 | Q | 90.3 | Very high | 81.3 | Confident | 114 Ų | 114 | 75.2 Ų | 75.2 | 53% | 0.533 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56.3 | -50.5 | 171.4 | -74.4 | 173.9 | 4.7 | 0 | 0 | 110.3 | D53 W59 V60 E61 | D53-Q57 WeakPolarHBondContact O-CB 3.41Å; D53-Q57 VanDerWaalsContact O-CG 3.29Å; D53-Q57 WeakPolarHBondContact O-CG 3.28Å; D53-Q57 PolarHBondContact O-N 3.49Å; Q57-W59 VanDerWaalsContact C-N 3.29Å; Q57-W59 PolarHBondContact O-N 3.07Å; Q57-V60 PolarHBondContact O-N 3.09Å; Q57-E61 VanDerWaalsContact O-CB 3.23Å; Q57-E61 WeakPolarHBondContact O-CB 3.4Å; Q57-E61 WeakPolarHBondContact O-CG 3.33Å; Q57-E61 PolarHBondContact O-N 2.93Å |
| 58 | L | 91.9 | Very high | 82.9 | Confident | 25 Ų | 25 | 74.5 Ų | 74.5 | 13% | 0.131 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -54.6 | -42.3 | -178.8 | -165.5 | 67.9 | 0 | 0 | 0 | 113.4 | S54 S55 E56 E61 V62 F229 L230 L287 V292 | S54-L58 WeakPolarHBondContact O-CB 3.24Å; S54-L58 PolarHBondContact O-N 3.45Å; S55-L58 WeakPolarHBondContact O-CB 3.39Å; S55-L58 PolarHBondContact O-N 3.06Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 3.17Å; L58-E61 PolarHBondContact O-N 3.34Å; L58-V62 HydrophobicContact CG-CG2 4.47Å; L58-V62 WeakPolarHBondContact O-CB 3.28Å; L58-V62 WeakPolarHBondContact O-CG2 3.21Å; L58-V62 PolarHBondContact O-N 2.88Å; L58-F229 HydrophobicContact CD1-CB 3.78Å; L58-L230 HydrophobicContact CD2-CD2 3.71Å; L58-L230 HydrophobicContact CD2-CG 4.42Å; L58-L287 HydrophobicContact CD2-CD2 3.8Å; L58-L287 HydrophobicContact CG-CD2 4.07Å; L58-V292 HydrophobicContact CD2-CG1 4.13Å; L58-V292 HydrophobicContact CD2-CG2 3.8Å |
| 59 | W | 93 | Very high | 84.6 | Confident | 24 Ų | 24 | 65.1 Ų | 65.1 | 9% | 0.091 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.3 | -48.9 | 175.3 | -83.7 | 102.8 | 0 | 0 | 0 | 112.7 | S55 E56 Q57 E61 V62 F63 L287 L288 V292 S293 I294 | S55-W59 VanDerWaalsContact O-CD1 3.31Å; S55-W59 PolarHBondContact O-N 3.43Å; E56-W59 PolarHBondContact O-N 3.45Å; Q57-W59 VanDerWaalsContact C-N 3.29Å; Q57-W59 PolarHBondContact O-N 3.07Å; W59-E61 PolarHBondContact O-N 2.85Å; W59-V62 PolarHBondContact O-N 3.08Å; W59-F63 HydrophobicContact CE3-CD1 4.3Å; W59-F63 AromaticContact CE3-CE1 3.7Å; W59-F63 HydrophobicContact CE3-CE1 3.7Å; W59-F63 HydrophobicContact CE3-CE2 4.14Å; W59-F63 AromaticContact CE3-CZ 3.62Å; W59-F63 HydrophobicContact CE3-CZ 3.62Å; W59-F63 AromaticContact CZ3-CE1 3.6Å; W59-F63 HydrophobicContact CZ3-CE1 3.6Å; W59-F63 HydrophobicContact CZ3-CE2 4.35Å; W59-F63 AromaticContact CZ3-CZ 3.46Å; W59-F63 HydrophobicContact CZ3-CZ 3.46Å; W59-F63 VanDerWaalsContact CZ3-CZ 3.46Å; W59-F63 WeakPolarHBondContact O-CB 3.25Å; W59-F63 PolarHBondContact O-N 2.99Å; W59-L287 HydrophobicContact CD2-CB 4.46Å; W59-L287 HydrophobicContact CD2-CD1 3.5Å; W59-L287 VanDerWaalsContact CD2-CD1 3.5Å; W59-L287 HydrophobicContact CE3-CD1 3.44Å; W59-L287 VanDerWaalsContact CE3-CD1 3.44Å; W59-L287 HydrophobicContact CG-CD1 4.07Å; W59-L287 HydrophobicContact CH2-CB 3.71Å; W59-L287 HydrophobicContact CH2-CD1 4.06Å; W59-L287 HydrophobicContact CH2-CG 4.5Å; W59-L287 HydrophobicContact CZ2-CB 3.54Å; W59-L287 HydrophobicContact CZ2-CD1 4.11Å; W59-L287 HydrophobicContact CZ3-CB 4.23Å; W59-L287 HydrophobicContact CZ3-CD1 3.73Å; W59-L288 HydrophobicContact CH2-CD2 4.27Å; W59-L288 HydrophobicContact CH2-CG 4.02Å; W59-L288 HydrophobicContact CZ2-CD2 4.02Å; W59-L288 HydrophobicContact CZ2-CG 4.16Å; W59-V292 VanDerWaalsContact NE1-CG1 3.33Å; W59-S293 PolarHBondContact NE1-O 3.04Å; W59-I294 HydrophobicContact CD2-CG1 4.34Å; W59-I294 HydrophobicContact CH2-CD1 4.04Å; W59-I294 HydrophobicContact CZ2-CD1 3.64Å; W59-I294 HydrophobicContact CZ2-CG1 3.72Å |
| 60 | V | 94 | Very high | 86.2 | Confident | 109 Ų | 109 | 59.6 Ų | 59.6 | 66% | 0.661 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -58.6 | -40.2 | 178.9 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | E56 Q57 G64 | E56-V60 WeakPolarHBondContact O-CG2 3.41Å; E56-V60 PolarHBondContact O-N 3.48Å; E56-V60 VanDerWaalsContact O-N 3.17Å; Q57-V60 PolarHBondContact O-N 3.09Å; V60-G64 WeakPolarHBondContact O-CA 3.02Å; V60-G64 PolarHBondContact O-N 3.46Å |
| 61 | E | 95.3 | Very high | 87.7 | Confident | 50 Ų | 50 | 59.4 Ų | 59.4 | 23% | 0.234 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -73.4 | -44 | -174.5 | -71.3 | 179 | 147.2 | 0 | 0 | 112.9 | Q57 L58 W59 G64 A65 R233 | Q57-E61 VanDerWaalsContact O-CB 3.23Å; Q57-E61 WeakPolarHBondContact O-CB 3.4Å; Q57-E61 WeakPolarHBondContact O-CG 3.33Å; Q57-E61 PolarHBondContact O-N 2.93Å; L58-E61 PolarHBondContact O-N 3.34Å; W59-E61 PolarHBondContact O-N 2.85Å; E61-G64 PolarHBondContact O-N 3.29Å; E61-A65 WeakPolarHBondContact O-CB 3.2Å; E61-A65 PolarHBondContact O-N 3.13Å; E61-R233 VanDerWaalsContact CB-CZ 3.42Å; E61-R233 VanDerWaalsContact CB-NH1 3.35Å; E61-R233 IonicContact OE1-CZ 3.44Å; E61-R233 IonicContact OE1-NE 3.76Å; E61-R233 PolarHBondContact OE1-NE 2.95Å; E61-R233 IonicContact OE1-NH2 3.66Å; E61-R233 PolarHBondContact OE1-NH2 3.36Å; E61-R233 VanDerWaalsContact OE2-CD 3.28Å; E61-R233 WeakPolarHBondContact OE2-CD 3.35Å; E61-R233 IonicContact OE2-CZ 3.68Å; E61-R233 IonicContact OE2-NE 3.82Å; E61-R233 PolarHBondContact OE2-NE 3.11Å; E61-R233 IonicContact OE2-NH1 3.99Å; E61-R233 IonicContact OE2-NH2 3.87Å; E61-R233 PolarHBondContact OE2-NH2 3.4Å |
| 62 | V | 95.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 175 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | L58 W59 G64 A65 V66 I225 F229 L287 | L58-V62 HydrophobicContact CG-CG2 4.47Å; L58-V62 WeakPolarHBondContact O-CB 3.28Å; L58-V62 WeakPolarHBondContact O-CG2 3.21Å; L58-V62 PolarHBondContact O-N 2.88Å; W59-V62 PolarHBondContact O-N 3.08Å; V62-G64 VanDerWaalsContact C-N 3.32Å; V62-G64 PolarHBondContact O-N 3.46Å; V62-A65 WeakPolarHBondContact O-CB 3.48Å; V62-A65 PolarHBondContact O-N 3.09Å; V62-V66 WeakPolarHBondContact O-CG2 3.32Å; V62-V66 PolarHBondContact O-N 3.05Å; V62-I225 HydrophobicContact CG1-CG2 4.45Å; V62-F229 HydrophobicContact CB-CD2 4.42Å; V62-F229 HydrophobicContact CG2-CB 3.61Å; V62-F229 HydrophobicContact CG2-CD2 3.52Å; V62-F229 HydrophobicContact CG2-CE2 4.45Å; V62-F229 HydrophobicContact CG2-CG 3.73Å; V62-L287 HydrophobicContact CB-CD1 3.99Å; V62-L287 HydrophobicContact CG1-CD1 3.99Å; V62-L287 HydrophobicContact CG2-CD1 4.08Å; V62-L287 HydrophobicContact CG2-CD2 4.16Å |
| 63 | F | 96 | Very high | 90.6 | Very high | 77 Ų | 77 | 47.8 Ų | 47.8 | 34% | 0.338 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.4 | -33.5 | 176.9 | -78.4 | 9.7 | 0 | 0 | 0 | 112.1 | W59 A65 V66 L67 L280 S284 | W59-F63 HydrophobicContact CE3-CD1 4.3Å; W59-F63 AromaticContact CE3-CE1 3.7Å; W59-F63 HydrophobicContact CE3-CE1 3.7Å; W59-F63 HydrophobicContact CE3-CE2 4.14Å; W59-F63 AromaticContact CE3-CZ 3.62Å; W59-F63 HydrophobicContact CE3-CZ 3.62Å; W59-F63 AromaticContact CZ3-CE1 3.6Å; W59-F63 HydrophobicContact CZ3-CE1 3.6Å; W59-F63 HydrophobicContact CZ3-CE2 4.35Å; W59-F63 AromaticContact CZ3-CZ 3.46Å; W59-F63 HydrophobicContact CZ3-CZ 3.46Å; W59-F63 VanDerWaalsContact CZ3-CZ 3.46Å; W59-F63 WeakPolarHBondContact O-CB 3.25Å; W59-F63 PolarHBondContact O-N 2.99Å; F63-A65 VanDerWaalsContact C-N 3.35Å; F63-V66 PolarHBondContact O-N 3.1Å; F63-L67 VanDerWaalsContact O-CB 3.23Å; F63-L67 WeakPolarHBondContact O-CB 3.44Å; F63-L67 PolarHBondContact O-N 3.28Å; F63-L280 HydrophobicContact CD1-CD2 4.27Å; F63-L280 HydrophobicContact CG-CD2 4.38Å; F63-S284 WeakPolarHBondContact CZ-OG 3.4Å |
| 64 | G | 96.6 | Very high | 92 | Very high | 38 Ų | 38 | 46 Ų | 46 | 39% | 0.392 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V60 E61 V62 L67 L68 | V60-G64 WeakPolarHBondContact O-CA 3.02Å; V60-G64 PolarHBondContact O-N 3.46Å; E61-G64 PolarHBondContact O-N 3.29Å; V62-G64 VanDerWaalsContact C-N 3.32Å; V62-G64 PolarHBondContact O-N 3.46Å; G64-L67 PolarHBondContact O-N 3.34Å; G64-L68 WeakPolarHBondContact O-CB 3.37Å; G64-L68 PolarHBondContact O-N 2.83Å |
| 65 | A | 96.7 | Very high | 92.5 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.1 | -48.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E61 V62 F63 L67 L68 I69 I225 F229 T240 | E61-A65 WeakPolarHBondContact O-CB 3.2Å; E61-A65 PolarHBondContact O-N 3.13Å; V62-A65 WeakPolarHBondContact O-CB 3.48Å; V62-A65 PolarHBondContact O-N 3.09Å; F63-A65 VanDerWaalsContact C-N 3.35Å; A65-L67 VanDerWaalsContact C-N 3.33Å; A65-L67 PolarHBondContact O-N 3.42Å; A65-L68 WeakPolarHBondContact O-CB 3.24Å; A65-L68 PolarHBondContact O-N 2.69Å; A65-L68 VanDerWaalsContact O-N 3.14Å; A65-I69 PolarHBondContact O-N 2.9Å; A65-I225 HydrophobicContact CB-CG2 3.9Å; A65-F229 HydrophobicContact CB-CE2 3.86Å; A65-F229 HydrophobicContact CB-CZ 4.47Å; A65-T240 HydrophobicContact CB-CG2 3.59Å; A65-T240 WeakPolarHBondContact CB-OG1 3.05Å |
| 66 | V | 95.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 176.9 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | V62 F63 L68 I69 S70 A279 L280 | V62-V66 WeakPolarHBondContact O-CG2 3.32Å; V62-V66 PolarHBondContact O-N 3.05Å; F63-V66 PolarHBondContact O-N 3.1Å; V66-L68 VanDerWaalsContact C-N 3.28Å; V66-L68 PolarHBondContact O-N 2.82Å; V66-I69 WeakPolarHBondContact O-CG1 3.47Å; V66-I69 PolarHBondContact O-N 3.11Å; V66-S70 PolarHBondContact O-N 3.05Å; V66-S70 VanDerWaalsContact O-N 3.15Å; V66-S70 PolarHBondContact O-OG 3.48Å; V66-A279 HydrophobicContact CG1-CB 3.64Å; V66-L280 HydrophobicContact CB-CD2 4.07Å; V66-L280 HydrophobicContact CG1-CD2 3.57Å; V66-L280 HydrophobicContact CG1-CG 3.74Å |
| 67 | L | 95 | Very high | 92.8 | Very high | 101 Ų | 101 | 45.2 Ų | 45.2 | 53% | 0.529 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62 | -37.9 | 176.9 | -171.8 | 68.9 | 0 | 0 | 0 | 112 | F63 G64 A65 S70 I71 | F63-L67 VanDerWaalsContact O-CB 3.23Å; F63-L67 WeakPolarHBondContact O-CB 3.44Å; F63-L67 PolarHBondContact O-N 3.28Å; G64-L67 PolarHBondContact O-N 3.34Å; A65-L67 VanDerWaalsContact C-N 3.33Å; A65-L67 PolarHBondContact O-N 3.42Å; L67-S70 PolarHBondContact O-N 3.19Å; L67-I71 HydrophobicContact CD1-CD1 3.6Å; L67-I71 HydrophobicContact CD1-CG1 4.02Å; L67-I71 HydrophobicContact CD2-CD1 4.18Å; L67-I71 HydrophobicContact CG-CD1 3.64Å; L67-I71 HydrophobicContact CG-CG1 4.21Å; L67-I71 WeakPolarHBondContact O-CB 3.35Å; L67-I71 WeakPolarHBondContact O-CG1 3.36Å; L67-I71 PolarHBondContact O-N 3.05Å |
| 68 | L | 94.6 | Very high | 92.7 | Very high | 90 Ų | 90 | 43.1 Ų | 43.1 | 47% | 0.471 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.5 | -49 | 177.6 | 179.6 | 67.1 | 0 | 0 | 0 | 111.3 | G64 A65 V66 S70 I71 A72 | G64-L68 WeakPolarHBondContact O-CB 3.37Å; G64-L68 PolarHBondContact O-N 2.83Å; A65-L68 WeakPolarHBondContact O-CB 3.24Å; A65-L68 PolarHBondContact O-N 2.69Å; A65-L68 VanDerWaalsContact O-N 3.14Å; V66-L68 VanDerWaalsContact C-N 3.28Å; V66-L68 PolarHBondContact O-N 2.82Å; L68-S70 PolarHBondContact O-N 3.39Å; L68-I71 PolarHBondContact O-N 3.07Å; L68-A72 VanDerWaalsContact O-CB 3.26Å; L68-A72 WeakPolarHBondContact O-CB 3.34Å; L68-A72 PolarHBondContact O-N 3.41Å |
| 69 | I | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.5 | -27.8 | -179.7 | 66.1 | 165 | 0 | 0 | 0 | 112.2 | A65 V66 P73 I225 T240 V243 L244 A279 | A65-I69 PolarHBondContact O-N 2.9Å; V66-I69 WeakPolarHBondContact O-CG1 3.47Å; V66-I69 PolarHBondContact O-N 3.11Å; I69-P73 WeakPolarHBondContact O-CD 3.4Å; I69-P73 WeakPolarHBondContact O-CG 2.86Å; I69-I225 HydrophobicContact CD1-CD1 3.69Å; I69-I225 HydrophobicContact CG2-CD1 4.41Å; I69-T240 HydrophobicContact CG2-CG2 3.99Å; I69-V243 HydrophobicContact CD1-CG1 3.72Å; I69-V243 HydrophobicContact CG2-CG1 4.2Å; I69-L244 HydrophobicContact CG2-CB 4.08Å; I69-L244 HydrophobicContact CG2-CD1 4.47Å; I69-A279 HydrophobicContact CD1-CB 4.48Å |
| 70 | S | 92 | Very high | 92 | Very high | 10 Ų | 10 | 49.3 Ų | 49.3 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -86.7 | -37.4 | 178.1 | -50.1 | 0 | 0 | 0 | 0 | 113.9 | V66 L67 L68 A276 | V66-S70 PolarHBondContact O-N 3.05Å; V66-S70 VanDerWaalsContact O-N 3.15Å; V66-S70 PolarHBondContact O-OG 3.48Å; L67-S70 PolarHBondContact O-N 3.19Å; L68-S70 PolarHBondContact O-N 3.39Å; S70-A276 WeakPolarHBondContact OG-CB 3.48Å |
| 71 | I | 91.2 | Very high | 91.1 | Very high | 69 Ų | 69 | 47.9 Ų | 47.9 | 35% | 0.354 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -76.9 | -37.1 | -178.7 | -71.2 | -176.3 | 0 | 0 | 0 | 111.6 | L67 L68 F74 I75 | L67-I71 HydrophobicContact CD1-CD1 3.6Å; L67-I71 HydrophobicContact CD1-CG1 4.02Å; L67-I71 HydrophobicContact CD2-CD1 4.18Å; L67-I71 HydrophobicContact CG-CD1 3.64Å; L67-I71 HydrophobicContact CG-CG1 4.21Å; L67-I71 WeakPolarHBondContact O-CB 3.35Å; L67-I71 WeakPolarHBondContact O-CG1 3.36Å; L67-I71 PolarHBondContact O-N 3.05Å; L68-I71 PolarHBondContact O-N 3.07Å; I71-F74 WeakPolarHBondContact O-CB 3.22Å; I71-F74 PolarHBondContact O-N 3.26Å; I71-I75 HydrophobicContact CG2-CD1 3.5Å; I71-I75 HydrophobicContact CG2-CG1 3.92Å; I71-I75 WeakPolarHBondContact O-CG1 3.35Å; I71-I75 PolarHBondContact O-N 3.36Å |
| 72 | A | 91.7 | Very high | 90.4 | Very high | 22 Ų | 22 | 48.2 Ų | 48.2 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.7 | -48.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L68 F74 I75 I76 L244 L248 | L68-A72 VanDerWaalsContact O-CB 3.26Å; L68-A72 WeakPolarHBondContact O-CB 3.34Å; L68-A72 PolarHBondContact O-N 3.41Å; A72-F74 PolarHBondContact O-N 3.37Å; A72-I75 PolarHBondContact O-N 3.27Å; A72-I76 WeakPolarHBondContact O-CG1 3.29Å; A72-I76 PolarHBondContact O-N 3.27Å; A72-I76 VanDerWaalsContact O-N 3.08Å; A72-L244 HydrophobicContact CB-CD1 3.75Å; A72-L248 HydrophobicContact CB-CD2 4.47Å |
| 73 | P | 88.1 | Confident | 89.7 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 172.3 | -13.4 | 20.2 | 0 | 0 | 0 | 112.1 | I69 I75 I76 L77 L248 E251 | I69-P73 WeakPolarHBondContact O-CD 3.4Å; I69-P73 WeakPolarHBondContact O-CG 2.86Å; P73-I75 VanDerWaalsContact C-N 3.32Å; P73-I75 PolarHBondContact O-N 3.31Å; P73-I76 PolarHBondContact O-N 2.98Å; P73-I76 VanDerWaalsContact O-N 3.08Å; P73-L77 WeakPolarHBondContact O-CB 3.4Å; P73-L77 VanDerWaalsContact O-CG 3.24Å; P73-L77 WeakPolarHBondContact O-CG 3.17Å; P73-L77 PolarHBondContact O-N 2.89Å; P73-L248 VanDerWaalsContact CA-CD2 3.44Å; P73-L248 HydrophobicContact CB-CD2 3.82Å; P73-L248 HydrophobicContact CG-CD2 3.74Å; P73-E251 HydrophobicContact CB-CB 3.52Å; P73-E251 HydrophobicContact CB-CG 3.6Å; P73-E251 HydrophobicContact CG-CB 4.22Å; P73-E251 HydrophobicContact CG-CG 3.84Å |
| 74 | F | 89.6 | Confident | 88.8 | Confident | 59 Ų | 59 | 48.2 Ų | 48.2 | 26% | 0.259 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.7 | -43.9 | 178.7 | -178.7 | -89.3 | 0 | 0 | 0 | 112.7 | I71 A72 L77 C78 M269 L273 | I71-F74 WeakPolarHBondContact O-CB 3.22Å; I71-F74 PolarHBondContact O-N 3.26Å; A72-F74 PolarHBondContact O-N 3.37Å; F74-L77 PolarHBondContact O-N 3.06Å; F74-C78 PolarHBondContact O-N 3Å; F74-C78 VanDerWaalsContact O-N 3.12Å; F74-C78 PolarHBondContact O-SG 3.4Å; F74-M269 HydrophobicContact CD2-CB 4.26Å; F74-M269 HydrophobicContact CE2-CB 3.98Å; F74-L273 HydrophobicContact CD2-CB 4.41Å; F74-L273 HydrophobicContact CD2-CD2 4.44Å; F74-L273 HydrophobicContact CE2-CD2 4.44Å |
| 75 | I | 90.7 | Very high | 88.1 | Confident | 96 Ų | 96 | 54.1 Ų | 54.1 | 49% | 0.492 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 176.5 | -67.9 | 173.8 | 0 | 0 | 0 | 110.5 | I71 A72 P73 C78 | I71-I75 HydrophobicContact CG2-CD1 3.5Å; I71-I75 HydrophobicContact CG2-CG1 3.92Å; I71-I75 WeakPolarHBondContact O-CG1 3.35Å; I71-I75 PolarHBondContact O-N 3.36Å; A72-I75 PolarHBondContact O-N 3.27Å; P73-I75 VanDerWaalsContact C-N 3.32Å; P73-I75 PolarHBondContact O-N 3.31Å; I75-C78 WeakPolarHBondContact O-CB 3.5Å; I75-C78 PolarHBondContact O-N 3.27Å |
| 76 | I | 88.5 | Confident | 87.5 | Confident | 54 Ų | 54 | 58.4 Ų | 58.4 | 28% | 0.277 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 179.3 | -74.5 | 164.2 | 0 | 0 | 0 | 110.8 | A72 P73 C78 L79 I80 L248 I252 | A72-I76 WeakPolarHBondContact O-CG1 3.29Å; A72-I76 PolarHBondContact O-N 3.27Å; A72-I76 VanDerWaalsContact O-N 3.08Å; P73-I76 PolarHBondContact O-N 2.98Å; P73-I76 VanDerWaalsContact O-N 3.08Å; I76-C78 VanDerWaalsContact C-N 3.27Å; I76-C78 PolarHBondContact O-N 2.81Å; I76-L79 WeakPolarHBondContact O-CB 3.29Å; I76-L79 PolarHBondContact O-N 3.41Å; I76-I80 PolarHBondContact O-N 2.9Å; I76-L248 HydrophobicContact CD1-CD1 3.98Å; I76-L248 HydrophobicContact CD1-CD2 3.43Å; I76-L248 VanDerWaalsContact CD1-CD2 3.43Å; I76-L248 HydrophobicContact CD1-CG 4.36Å; I76-I252 HydrophobicContact CG2-CD1 4.43Å |
| 77 | L | 87.9 | Confident | 87 | Confident | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.5 | -33.8 | 176.6 | -70.4 | 174.8 | 0 | 0 | 0 | 112.4 | P73 F74 L79 I80 I252 Y255 M269 | P73-L77 WeakPolarHBondContact O-CB 3.4Å; P73-L77 VanDerWaalsContact O-CG 3.24Å; P73-L77 WeakPolarHBondContact O-CG 3.17Å; P73-L77 PolarHBondContact O-N 2.89Å; F74-L77 PolarHBondContact O-N 3.06Å; L77-L79 PolarHBondContact O-N 3.03Å; L77-I80 HydrophobicContact CD2-CD1 3.91Å; L77-I80 PolarHBondContact O-N 3.15Å; L77-I252 HydrophobicContact CD2-CG1 3.95Å; L77-Y255 HydrophobicContact CD2-CD1 3.9Å; L77-Y255 HydrophobicContact CD2-CG 3.93Å; L77-M269 HydrophobicContact CB-CG 4.14Å; L77-M269 HydrophobicContact CB-SD 3.94Å; L77-M269 HydrophobicContact CD1-CG 4.42Å |
| 78 | C | 87.9 | Confident | 86.6 | Confident | 71 Ų | 71 | 64.5 Ų | 64.5 | 48% | 0.48 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.4 | -23 | 173.9 | -70.9 | 0 | 0 | 0 | 0 | 113.2 | F74 I75 I76 | F74-C78 PolarHBondContact O-N 3Å; F74-C78 VanDerWaalsContact O-N 3.12Å; F74-C78 PolarHBondContact O-SG 3.4Å; I75-C78 WeakPolarHBondContact O-CB 3.5Å; I75-C78 PolarHBondContact O-N 3.27Å; I76-C78 VanDerWaalsContact C-N 3.27Å; I76-C78 PolarHBondContact O-N 2.81Å |
| 79 | L | 87 | Confident | 86.4 | Confident | 141 Ų | 141 | 64.7 Ų | 64.7 | 74% | 0.738 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -86.9 | -17.1 | 175.8 | -55 | 177.3 | 0 | 0 | 0 | 112.6 | I76 L77 | I76-L79 WeakPolarHBondContact O-CB 3.29Å; I76-L79 PolarHBondContact O-N 3.41Å; L77-L79 PolarHBondContact O-N 3.03Å |
| 80 | I | 82.5 | Confident | 86.2 | Confident | 38 Ų | 38 | 65 Ų | 65 | 20% | 0.195 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -77.1 | 127 | -179.3 | -60 | -173 | 0 | 0 | 0 | 109.5 | I76 L77 L83 I252 | I76-I80 PolarHBondContact O-N 2.9Å; L77-I80 HydrophobicContact CD2-CD1 3.91Å; L77-I80 PolarHBondContact O-N 3.15Å; I80-L83 HydrophobicContact CG2-CD2 4.06Å; I80-L83 HydrophobicContact CG2-CG 4.42Å; I80-I252 HydrophobicContact CD1-CD1 4.34Å; I80-I252 HydrophobicContact CD1-CG1 4.05Å; I80-I252 HydrophobicContact CD1-CG2 4.3Å |
| 81 | P | 75.2 | Confident | 86.1 | Confident | 78 Ų | 78 | 66.1 Ų | 66.1 | 51% | 0.506 | 34% | 0.335 | S | S | . | . | trans | -63.2 | 152.2 | 176.6 | 25.6 | -33.6 | 0 | 0 | 0 | 111.7 | L83 | P81-L83 PolarHBondContact O-N 2.96Š| ||
| 82 | D | 80.7 | Confident | 86.2 | Confident | 57 Ų | 57 | 64.2 Ų | 64.2 | 31% | 0.305 | 33% | 0.327 | S | S | . | . | trans | -55.2 | 107.3 | -178.5 | -176.4 | -4.1 | 0 | 0 | 0 | 112 | N84 K85 S265 | D82-N84 PolarHBondContact O-N 3.4Å; D82-N84 VanDerWaalsContact O-N 3.12Å; D82-N84 VanDerWaalsContact OD1-CB 3.24Å; D82-N84 WeakPolarHBondContact OD1-CB 3.43Å; D82-N84 PolarHBondContact OD1-N 3.33Å; D82-N84 PolarHBondContact OD1-ND2 3.48Å; D82-K85 PolarHBondContact O-N 3.13Å; D82-K85 VanDerWaalsContact O-N 3.09Å; D82-S265 PolarHBondContact OD1-OG 2.72Å; D82-S265 VanDerWaalsContact OD1-OG 3.1Å | ||
| 83 | L | 82.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -62.9 | -19 | -175.5 | -62.9 | 179.8 | 0 | 0 | 0 | 112.8 | I80 P81 K85 H86 F89 L90 L93 Y255 A256 I259 | I80-L83 HydrophobicContact CG2-CD2 4.06Å; I80-L83 HydrophobicContact CG2-CG 4.42Å; P81-L83 PolarHBondContact O-N 2.96Å; L83-K85 PolarHBondContact O-N 3.04Å; L83-K85 VanDerWaalsContact O-N 3.1Å; L83-H86 PolarHBondContact O-N 3.21Å; L83-F89 HydrophobicContact CD2-CD1 3.47Å; L83-F89 VanDerWaalsContact CD2-CD1 3.47Å; L83-F89 HydrophobicContact CD2-CE1 3.62Å; L83-L90 HydrophobicContact CB-CD1 4.05Å; L83-L90 HydrophobicContact CD1-CD1 3.98Å; L83-L93 HydrophobicContact CD1-CD1 3.63Å; L83-L93 HydrophobicContact CD2-CD1 3.76Å; L83-L93 HydrophobicContact CG-CD1 4.37Å; L83-Y255 HydrophobicContact CD1-CD1 3.56Å; L83-Y255 HydrophobicContact CD1-CE1 3.45Å; L83-Y255 VanDerWaalsContact CD1-CE1 3.45Å; L83-Y255 HydrophobicContact CG-CD1 4.38Å; L83-Y255 HydrophobicContact CG-CE1 3.77Å; L83-A256 HydrophobicContact CD1-CB 4.27Å; L83-I259 HydrophobicContact CB-CG2 4.21Å |
| 84 | N | 77 | Confident | 86.5 | Confident | 78 Ų | 78 | 64.3 Ų | 64.3 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -57.7 | -26.5 | 174.2 | -71.8 | -63.7 | 0 | 0 | 0 | 112.5 | D82 I259 | D82-N84 PolarHBondContact O-N 3.4Å; D82-N84 VanDerWaalsContact O-N 3.12Å; D82-N84 VanDerWaalsContact OD1-CB 3.24Å; D82-N84 WeakPolarHBondContact OD1-CB 3.43Å; D82-N84 PolarHBondContact OD1-N 3.33Å; D82-N84 PolarHBondContact OD1-ND2 3.48Å; N84-I259 WeakPolarHBondContact OD1-CG2 3.49Å |
| 85 | K | 80.5 | Confident | 86.8 | Confident | 161 Ų | 161 | 61.6 Ų | 61.6 | 70% | 0.7 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -85.6 | -18.9 | -179.6 | -61 | -179.9 | -175.6 | 175.7 | 0 | 113.2 | D82 L83 | D82-K85 PolarHBondContact O-N 3.13Å; D82-K85 VanDerWaalsContact O-N 3.09Å; L83-K85 PolarHBondContact O-N 3.04Å; L83-K85 VanDerWaalsContact O-N 3.1Å |
| 86 | H | 85.2 | Confident | 87 | Confident | 97 Ų | 97 | 59.2 Ų | 59.2 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | trans | -123.4 | 66.7 | -170.5 | -63.2 | -72.9 | 0 | 0 | 0 | 111.9 | L83 G88 F89 L90 | L83-H86 PolarHBondContact O-N 3.21Å; H86-G88 VanDerWaalsContact C-N 3.27Å; H86-G88 PolarHBondContact O-N 3.48Å; H86-G88 VanDerWaalsContact O-N 3.14Å; H86-F89 HydrophobicContact CB-CB 4.08Å; H86-F89 PolarHBondContact O-N 2.91Å; H86-L90 PolarHBondContact O-N 3.48Å | ||
| 87 | R | 85.1 | Confident | 87.3 | Confident | 199 Ų | 199 | 56.8 Ų | 56.8 | 75% | 0.751 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -54.8 | -35.7 | -175.9 | -73.4 | -156.6 | -180 | -162.2 | 0.4 | 115 | L90 K91 | R87-L90 PolarHBondContact O-N 3.22Å; R87-K91 WeakPolarHBondContact O-CG 3.34Å; R87-K91 PolarHBondContact O-N 3.42Å; R87-K91 VanDerWaalsContact O-N 3.13Å |
| 88 | G | 87.3 | Confident | 87.6 | Confident | 31 Ų | 31 | 56.7 Ų | 56.7 | 32% | 0.32 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | H86 K91 V92 Q361 | H86-G88 VanDerWaalsContact C-N 3.27Å; H86-G88 PolarHBondContact O-N 3.48Å; H86-G88 VanDerWaalsContact O-N 3.14Å; G88-K91 PolarHBondContact O-N 3.31Å; G88-V92 WeakPolarHBondContact O-CG2 3.34Å; G88-V92 PolarHBondContact O-N 2.97Å; G88-Q361 PolarHBondContact O-NE2 2.7Å |
| 89 | F | 89.4 | Confident | 88 | Confident | 94 Ų | 94 | 53.3 Ų | 53.3 | 41% | 0.412 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.8 | -39.6 | 176.4 | -177.3 | -127.3 | 0 | 0 | 0 | 111.9 | L83 H86 K91 V92 L93 | L83-F89 HydrophobicContact CD2-CD1 3.47Å; L83-F89 VanDerWaalsContact CD2-CD1 3.47Å; L83-F89 HydrophobicContact CD2-CE1 3.62Å; H86-F89 HydrophobicContact CB-CB 4.08Å; H86-F89 PolarHBondContact O-N 2.91Å; F89-K91 VanDerWaalsContact C-N 3.28Å; F89-K91 PolarHBondContact O-N 3.41Å; F89-V92 WeakPolarHBondContact O-CB 3.35Å; F89-V92 PolarHBondContact O-N 2.94Å; F89-V92 VanDerWaalsContact O-N 3.11Å; F89-L93 HydrophobicContact CD1-CD1 4.09Å; F89-L93 HydrophobicContact CD2-CG 4.4Å; F89-L93 HydrophobicContact CE1-CD1 3.61Å; F89-L93 HydrophobicContact CE1-CG 4.17Å; F89-L93 HydrophobicContact CE2-CD1 4.34Å; F89-L93 HydrophobicContact CE2-CD2 4.09Å; F89-L93 HydrophobicContact CE2-CG 3.99Å; F89-L93 HydrophobicContact CZ-CD1 3.74Å; F89-L93 HydrophobicContact CZ-CD2 3.93Å; F89-L93 HydrophobicContact CZ-CG 3.86Å; F89-L93 PolarHBondContact O-N 3.4Å |
| 90 | L | 90.7 | Very high | 88.4 | Confident | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.8 | -44.3 | 173.6 | 179 | 65.6 | 0 | 0 | 0 | 111.6 | L83 H86 R87 L93 L94 A256 I259 | L83-L90 HydrophobicContact CB-CD1 4.05Å; L83-L90 HydrophobicContact CD1-CD1 3.98Å; H86-L90 PolarHBondContact O-N 3.48Å; R87-L90 PolarHBondContact O-N 3.22Å; L90-L93 PolarHBondContact O-N 3.06Å; L90-L94 HydrophobicContact CG-CD1 4.16Å; L90-L94 WeakPolarHBondContact O-CB 3.4Å; L90-L94 VanDerWaalsContact O-CG 3.31Å; L90-L94 WeakPolarHBondContact O-CG 3.39Å; L90-L94 PolarHBondContact O-N 2.9Å; L90-A256 HydrophobicContact CD1-CB 3.75Å; L90-I259 HydrophobicContact CD1-CB 4.32Å; L90-I259 HydrophobicContact CD1-CG2 4.17Å; L90-I259 HydrophobicContact CD2-CG2 4.23Å |
| 91 | K | 90.6 | Very high | 89 | Confident | 32 Ų | 32 | 44.9 Ų | 44.9 | 14% | 0.139 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.7 | -38.5 | 177.2 | -69.6 | -176.1 | -177.1 | -170.2 | 0 | 113.2 | R87 G88 F89 L93 L94 A95 L336 A339 E365 | R87-K91 WeakPolarHBondContact O-CG 3.34Å; R87-K91 PolarHBondContact O-N 3.42Å; R87-K91 VanDerWaalsContact O-N 3.13Å; G88-K91 PolarHBondContact O-N 3.31Å; F89-K91 VanDerWaalsContact C-N 3.28Å; F89-K91 PolarHBondContact O-N 3.41Å; K91-L93 VanDerWaalsContact C-N 3.32Å; K91-L94 PolarHBondContact O-N 3.37Å; K91-A95 WeakPolarHBondContact O-CB 3.38Å; K91-A95 PolarHBondContact O-N 2.77Å; K91-L336 HydrophobicContact CB-CD2 4.14Å; K91-L336 WeakPolarHBondContact O-CD2 3.35Å; K91-A339 VanDerWaalsContact NZ-C 3.34Å; K91-A339 PolarHBondContact NZ-O 3.29Å; K91-E365 HydrophobicContact CB-CG 4.17Å; K91-E365 VanDerWaalsContact CB-OE1 3.28Å; K91-E365 WeakPolarHBondContact CB-OE1 3.39Å; K91-E365 WeakPolarHBondContact CD-OE1 3.14Å |
| 92 | V | 93.3 | Very high | 90 | Very high | 29 Ų | 29 | 42.4 Ų | 42.4 | 18% | 0.176 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 175.2 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | G88 F89 A95 F96 L364 E365 S368 | G88-V92 WeakPolarHBondContact O-CG2 3.34Å; G88-V92 PolarHBondContact O-N 2.97Å; F89-V92 WeakPolarHBondContact O-CB 3.35Å; F89-V92 PolarHBondContact O-N 2.94Å; F89-V92 VanDerWaalsContact O-N 3.11Å; V92-A95 PolarHBondContact O-N 2.93Å; V92-F96 WeakPolarHBondContact O-CB 3.48Å; V92-F96 PolarHBondContact O-N 3.27Å; V92-L364 HydrophobicContact CG2-CB 3.97Å; V92-E365 HydrophobicContact CG2-CG 4.5Å; V92-S368 VanDerWaalsContact CG1-OG 3.29Å; V92-S368 WeakPolarHBondContact CG1-OG 3.36Å; V92-S368 WeakPolarHBondContact O-CB 3.34Å; V92-S368 PolarHBondContact O-OG 2.68Å |
| 93 | L | 92.6 | Very high | 90.7 | Very high | 18 Ų | 18 | 39.7 Ų | 39.7 | 9% | 0.094 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.8 | -41.1 | 174.7 | -71.1 | 179.8 | 0 | 0 | 0 | 112.6 | L83 F89 L90 K91 A95 F96 A97 I252 A256 | L83-L93 HydrophobicContact CD1-CD1 3.63Å; L83-L93 HydrophobicContact CD2-CD1 3.76Å; L83-L93 HydrophobicContact CG-CD1 4.37Å; F89-L93 HydrophobicContact CD1-CD1 4.09Å; F89-L93 HydrophobicContact CD2-CG 4.4Å; F89-L93 HydrophobicContact CE1-CD1 3.61Å; F89-L93 HydrophobicContact CE1-CG 4.17Å; F89-L93 HydrophobicContact CE2-CD1 4.34Å; F89-L93 HydrophobicContact CE2-CD2 4.09Å; F89-L93 HydrophobicContact CE2-CG 3.99Å; F89-L93 HydrophobicContact CZ-CD1 3.74Å; F89-L93 HydrophobicContact CZ-CD2 3.93Å; F89-L93 HydrophobicContact CZ-CG 3.86Å; F89-L93 PolarHBondContact O-N 3.4Å; L90-L93 PolarHBondContact O-N 3.06Å; K91-L93 VanDerWaalsContact C-N 3.32Å; L93-A95 VanDerWaalsContact C-N 3.32Å; L93-A95 PolarHBondContact O-N 3.27Å; L93-F96 WeakPolarHBondContact O-CB 3.24Å; L93-F96 PolarHBondContact O-N 3.11Å; L93-A97 WeakPolarHBondContact O-CB 3.36Å; L93-A97 PolarHBondContact O-N 3.04Å; L93-I252 HydrophobicContact CD1-CG2 4.28Å; L93-I252 HydrophobicContact CD2-CG2 3.79Å; L93-A256 HydrophobicContact CB-CB 3.82Å |
| 94 | L | 93.6 | Very high | 91.2 | Very high | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.4 | -41.4 | 174.3 | -74.9 | 169.6 | 0 | 0 | 0 | 111.6 | L90 K91 A97 A98 A256 I257 Q260 V332 L336 | L90-L94 HydrophobicContact CG-CD1 4.16Å; L90-L94 WeakPolarHBondContact O-CB 3.4Å; L90-L94 VanDerWaalsContact O-CG 3.31Å; L90-L94 WeakPolarHBondContact O-CG 3.39Å; L90-L94 PolarHBondContact O-N 2.9Å; K91-L94 PolarHBondContact O-N 3.37Å; L94-A97 WeakPolarHBondContact O-CB 3.46Å; L94-A97 PolarHBondContact O-N 2.81Å; L94-A98 PolarHBondContact O-N 2.99Å; L94-A256 HydrophobicContact CD2-CB 4.07Å; L94-A256 HydrophobicContact CG-CB 4.2Å; L94-I257 HydrophobicContact CD2-CB 4.35Å; L94-I257 HydrophobicContact CD2-CG1 3.67Å; L94-Q260 HydrophobicContact CD1-CB 4.02Å; L94-Q260 HydrophobicContact CD1-CG 3.88Å; L94-Q260 HydrophobicContact CD2-CB 4.2Å; L94-V332 HydrophobicContact CB-CG1 4.06Å; L94-V332 HydrophobicContact CD2-CG1 4.34Å; L94-V332 VanDerWaalsContact O-CG1 3.25Å; L94-V332 WeakPolarHBondContact O-CG1 3.4Å; L94-L336 HydrophobicContact CB-CD2 3.97Å |
| 95 | A | 95.3 | Very high | 92 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K91 V92 L93 A98 G99 L336 E365 L369 | K91-A95 WeakPolarHBondContact O-CB 3.38Å; K91-A95 PolarHBondContact O-N 2.77Å; V92-A95 PolarHBondContact O-N 2.93Å; L93-A95 VanDerWaalsContact C-N 3.32Å; L93-A95 PolarHBondContact O-N 3.27Å; A95-A98 PolarHBondContact O-N 3.22Å; A95-G99 PolarHBondContact O-N 2.93Å; A95-L336 HydrophobicContact CB-CD1 3.71Å; A95-L336 HydrophobicContact CB-CD2 4.31Å; A95-E365 HydrophobicContact CB-CB 4Å; A95-E365 HydrophobicContact CB-CG 4.4Å; A95-E365 WeakPolarHBondContact CB-O 3.17Å; A95-L369 HydrophobicContact CB-CB 4.28Å; A95-L369 VanDerWaalsContact O-CA 3.25Å; A95-L369 WeakPolarHBondContact O-CA 2.9Å; A95-L369 WeakPolarHBondContact O-CB 3.26Å |
| 96 | F | 95.5 | Very high | 92.7 | Very high | 46 Ų | 46 | 33.7 Ų | 33.7 | 20% | 0.202 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.8 | -46.9 | 172.1 | -174.9 | -100.4 | 0 | 0 | 0 | 112.1 | V92 L93 A98 G99 G100 P249 S368 M375 | V92-F96 WeakPolarHBondContact O-CB 3.48Å; V92-F96 PolarHBondContact O-N 3.27Å; L93-F96 WeakPolarHBondContact O-CB 3.24Å; L93-F96 PolarHBondContact O-N 3.11Å; F96-A98 PolarHBondContact O-N 2.69Å; F96-G99 CarbonylContact O-C 3.57Å; F96-G99 WeakPolarHBondContact O-CA 3.23Å; F96-G99 PolarHBondContact O-N 2.91Å; F96-G99 VanDerWaalsContact O-N 3.13Å; F96-G100 PolarHBondContact O-N 3.35Å; F96-P249 HydrophobicContact CE1-CB 3.45Å; F96-P249 VanDerWaalsContact CE1-CB 3.45Å; F96-P249 HydrophobicContact CZ-CB 3.82Å; F96-S368 WeakPolarHBondContact CA-O 3.44Å; F96-S368 WeakPolarHBondContact CB-OG 3.43Å; F96-S368 WeakPolarHBondContact CD2-O 3.06Å; F96-M375 HydrophobicContact CE1-CE 4Å; F96-M375 HydrophobicContact CE1-SD 4.32Å; F96-M375 HydrophobicContact CE2-CE 4.25Å; F96-M375 HydrophobicContact CE2-SD 4.35Å; F96-M375 HydrophobicContact CZ-CE 3.52Å; F96-M375 HydrophobicContact CZ-SD 3.52Å; F96-M375 VanDerWaalsContact CZ-SD 3.52Å |
| 97 | A | 93.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.7 | -48.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L93 L94 G99 G100 L101 I257 | L93-A97 WeakPolarHBondContact O-CB 3.36Å; L93-A97 PolarHBondContact O-N 3.04Å; L94-A97 WeakPolarHBondContact O-CB 3.46Å; L94-A97 PolarHBondContact O-N 2.81Å; A97-G99 VanDerWaalsContact C-N 3.3Å; A97-G99 PolarHBondContact O-N 3.28Å; A97-G100 PolarHBondContact O-N 3.46Å; A97-L101 WeakPolarHBondContact O-CB 3.27Å; A97-L101 VanDerWaalsContact O-CG 3.31Å; A97-L101 WeakPolarHBondContact O-CG 3.44Å; A97-L101 PolarHBondContact O-N 2.89Å; A97-I257 HydrophobicContact CB-CD1 4.29Å |
| 98 | A | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.6 | -38.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | L94 A95 F96 L102 A328 V332 L333 L369 | L94-A98 PolarHBondContact O-N 2.99Å; A95-A98 PolarHBondContact O-N 3.22Å; F96-A98 PolarHBondContact O-N 2.69Å; A98-L102 WeakPolarHBondContact O-CB 3.32Å; A98-L102 VanDerWaalsContact O-CG 3.25Å; A98-L102 WeakPolarHBondContact O-CG 3.34Å; A98-L102 PolarHBondContact O-N 2.64Å; A98-A328 HydrophobicContact CB-CB 4.37Å; A98-V332 HydrophobicContact CB-CB 4.03Å; A98-V332 HydrophobicContact CB-CG1 3.76Å; A98-L333 HydrophobicContact CB-CD1 3.31Å; A98-L369 HydrophobicContact CB-CD1 4.4Å |
| 99 | G | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.3 | -43.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A95 F96 A97 G103 L369 V373 | A95-G99 PolarHBondContact O-N 2.93Å; F96-G99 CarbonylContact O-C 3.57Å; F96-G99 WeakPolarHBondContact O-CA 3.23Å; F96-G99 PolarHBondContact O-N 2.91Å; F96-G99 VanDerWaalsContact O-N 3.13Å; A97-G99 VanDerWaalsContact C-N 3.3Å; A97-G99 PolarHBondContact O-N 3.28Å; G99-G103 WeakPolarHBondContact O-CA 3.43Å; G99-G103 PolarHBondContact O-N 2.89Å; G99-L369 WeakPolarHBondContact CA-O 3.36Å; G99-V373 VanDerWaalsContact O-CG2 3.24Å; G99-V373 WeakPolarHBondContact O-CG2 3.48Å; G99-V373 PolarHBondContact O-N 2.95Å |
| 100 | G | 95 | Very high | 93.6 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.4 | -53.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F96 A97 L102 G103 D104 | F96-G100 PolarHBondContact O-N 3.35Å; A97-G100 PolarHBondContact O-N 3.46Å; G100-L102 VanDerWaalsContact C-N 3.34Å; G100-L102 PolarHBondContact O-N 3.48Å; G100-G103 PolarHBondContact O-N 3.13Å; G100-G103 VanDerWaalsContact O-N 3.12Å; G100-D104 WeakPolarHBondContact O-CB 3.41Å; G100-D104 PolarHBondContact O-N 2.83Å |
| 101 | L | 94.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.6 | -42.4 | 178.4 | -68.2 | 173.1 | 0 | 0 | 0 | 112.8 | A97 A105 I257 F324 I327 A328 | A97-L101 WeakPolarHBondContact O-CB 3.27Å; A97-L101 VanDerWaalsContact O-CG 3.31Å; A97-L101 WeakPolarHBondContact O-CG 3.44Å; A97-L101 PolarHBondContact O-N 2.89Å; L101-A105 VanDerWaalsContact O-CB 3.31Å; L101-A105 WeakPolarHBondContact O-CB 3.35Å; L101-A105 PolarHBondContact O-N 3.38Å; L101-A105 VanDerWaalsContact O-N 3.1Å; L101-I257 HydrophobicContact CD1-CD1 4.16Å; L101-F324 HydrophobicContact CB-CB 4.37Å; L101-F324 HydrophobicContact CD2-CB 4.42Å; L101-F324 HydrophobicContact CD2-CD1 3.71Å; L101-F324 HydrophobicContact CD2-CD2 4.14Å; L101-F324 HydrophobicContact CD2-CE1 3.78Å; L101-F324 HydrophobicContact CD2-CE2 4.2Å; L101-F324 HydrophobicContact CD2-CG 3.86Å; L101-F324 HydrophobicContact CD2-CZ 4Å; L101-I327 HydrophobicContact CD1-CG2 4.03Å; L101-A328 HydrophobicContact CB-CB 4.11Å; L101-A328 HydrophobicContact CD1-CB 4.44Å |
| 102 | L | 96.4 | Very high | 93.3 | Very high | 25 Ų | 25 | 24.9 Ų | 24.9 | 13% | 0.131 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -70.7 | -41.1 | 175.6 | -70.1 | 171.2 | 0 | 0 | 0 | 111.8 | A98 G100 F106 I325 A328 M329 | A98-L102 WeakPolarHBondContact O-CB 3.32Å; A98-L102 VanDerWaalsContact O-CG 3.25Å; A98-L102 WeakPolarHBondContact O-CG 3.34Å; A98-L102 PolarHBondContact O-N 2.64Å; G100-L102 VanDerWaalsContact C-N 3.34Å; G100-L102 PolarHBondContact O-N 3.48Å; L102-F106 HydrophobicContact CD2-CD2 4.37Å; L102-F106 HydrophobicContact CD2-CE2 3.99Å; L102-F106 WeakPolarHBondContact O-CB 3.37Å; L102-F106 VanDerWaalsContact O-CD2 3.31Å; L102-F106 WeakPolarHBondContact O-CD2 3.26Å; L102-F106 PolarHBondContact O-N 3.32Å; L102-I325 HydrophobicContact CD2-CG1 4.46Å; L102-A328 HydrophobicContact CD1-CB 4.25Å; L102-A328 HydrophobicContact CD2-CB 3.87Å; L102-A328 HydrophobicContact CG-CB 3.67Å; L102-M329 HydrophobicContact CD1-SD 4.13Å; L102-M329 HydrophobicContact CD2-CG 4.1Å; L102-M329 HydrophobicContact CD2-SD 4.16Å |
| 103 | G | 95.1 | Very high | 93 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.2 | -49.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | G99 G100 F106 L107 | G99-G103 WeakPolarHBondContact O-CA 3.43Å; G99-G103 PolarHBondContact O-N 2.89Å; G100-G103 PolarHBondContact O-N 3.13Å; G100-G103 VanDerWaalsContact O-N 3.12Å; G103-F106 PolarHBondContact O-N 3.19Å; G103-L107 WeakPolarHBondContact O-CA 3.27Å; G103-L107 WeakPolarHBondContact O-CB 3.48Å; G103-L107 WeakPolarHBondContact O-CG 3.49Å; G103-L107 PolarHBondContact O-N 3.21Å |
| 104 | D | 93.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.4 | -50 | 178 | -177.1 | 54.4 | 0 | 0 | 0 | 111.7 | G100 F106 H108 L109 H217 F324 M376 | G100-D104 WeakPolarHBondContact O-CB 3.41Å; G100-D104 PolarHBondContact O-N 2.83Å; D104-F106 PolarHBondContact O-N 2.97Å; D104-H108 WeakPolarHBondContact O-CA 3.39Å; D104-H108 WeakPolarHBondContact O-CB 3.34Å; D104-H108 PolarHBondContact O-N 3.42Å; D104-H108 IonicContact OD1-CD2 3.56Å; D104-H108 PolarHBondContact OD1-CD2 3.32Å; D104-H108 IonicContact OD1-CG 3.87Å; D104-L109 PolarHBondContact O-N 3.26Å; D104-L109 VanDerWaalsContact OD2-CD1 3.29Å; D104-L109 WeakPolarHBondContact OD2-CD1 3.02Å; D104-L109 WeakPolarHBondContact OD2-CG 3.19Å; D104-H217 IonicContact OD1-CE1 2.81Å; D104-H217 IonicContact OD2-CE1 3.11Å; D104-H217 PolarHBondContact OD2-CE1 3.13Å; D104-H217 IonicContact OD2-ND1 2.8Å; D104-H217 IonicContact OD2-NE2 2.64Å; D104-F324 HydrophobicContact CB-CD2 4.5Å; D104-F324 WeakPolarHBondContact OD2-CD2 3.37Å; D104-F324 WeakPolarHBondContact OD2-CE2 3.4Å; D104-M376 HydrophobicContact CB-CG 4.42Å; D104-M376 HydrophobicContact CB-SD 4.18Å |
| 105 | A | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -57.7 | -47.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L101 I110 A321 F324 I325 | L101-A105 VanDerWaalsContact O-CB 3.31Å; L101-A105 WeakPolarHBondContact O-CB 3.35Å; L101-A105 PolarHBondContact O-N 3.38Å; L101-A105 VanDerWaalsContact O-N 3.1Å; A105-I110 WeakPolarHBondContact O-CB 3.3Å; A105-I110 WeakPolarHBondContact O-CD1 3.43Å; A105-I110 WeakPolarHBondContact O-CG1 3.23Å; A105-I110 PolarHBondContact O-N 3.47Å; A105-I110 VanDerWaalsContact O-N 3.08Å; A105-A321 HydrophobicContact CB-CB 4Å; A105-F324 HydrophobicContact CB-CB 4.15Å; A105-I325 HydrophobicContact CB-CD1 4.2Å; A105-I325 HydrophobicContact CB-CG1 3.79Å |
| 106 | F | 95.6 | Very high | 90.9 | Very high | 112 Ų | 112 | 32.8 Ų | 32.8 | 49% | 0.491 | 16% | 0.164 | S | C | . | . | I | π-helix | trans | -89.7 | -25.8 | -172.4 | -77.2 | -69 | 0 | 0 | 0 | 114.9 | L102 G103 D104 I110 P111 I325 | L102-F106 HydrophobicContact CD2-CD2 4.37Å; L102-F106 HydrophobicContact CD2-CE2 3.99Å; L102-F106 WeakPolarHBondContact O-CB 3.37Å; L102-F106 VanDerWaalsContact O-CD2 3.31Å; L102-F106 WeakPolarHBondContact O-CD2 3.26Å; L102-F106 PolarHBondContact O-N 3.32Å; G103-F106 PolarHBondContact O-N 3.19Å; D104-F106 PolarHBondContact O-N 2.97Å; F106-I110 HydrophobicContact CD1-CD1 4.04Å; F106-I110 HydrophobicContact CE1-CD1 4.22Å; F106-P111 VanDerWaalsContact O-CD 3.3Å; F106-P111 WeakPolarHBondContact O-CD 3.23Å; F106-P111 VanDerWaalsContact O-CG 3.24Å; F106-P111 WeakPolarHBondContact O-CG 3.22Å; F106-I325 HydrophobicContact CD2-CG1 4.46Å; F106-I325 HydrophobicContact CE1-CD1 4.07Å; F106-I325 HydrophobicContact CE2-CD1 3.88Å; F106-I325 HydrophobicContact CE2-CG1 3.78Å; F106-I325 HydrophobicContact CZ-CD1 3.59Å; F106-I325 HydrophobicContact CZ-CG1 3.99Å |
| 107 | L | 92.9 | Very high | 88.9 | Confident | 85 Ų | 85 | 32.8 Ų | 32.8 | 45% | 0.445 | 18% | 0.177 | S | C | . | . | I | π-helix | trans | -108.3 | -19.3 | -173.8 | -53.5 | -179.3 | 0 | 0 | 0 | 113.1 | G103 V373 A377 | G103-L107 WeakPolarHBondContact O-CA 3.27Å; G103-L107 WeakPolarHBondContact O-CB 3.48Å; G103-L107 WeakPolarHBondContact O-CG 3.49Å; G103-L107 PolarHBondContact O-N 3.21Å; L107-V373 HydrophobicContact CD1-CG1 4.05Å; L107-A377 HydrophobicContact CD1-CB 3.69Å |
| 108 | H | 88.7 | Confident | 86.8 | Confident | 38 Ų | 38 | 40.2 Ų | 40.2 | 18% | 0.176 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -117.2 | -64.9 | -179.8 | -174 | 33.5 | 0 | 0 | 0 | 111.2 | D104 H112 E383 | D104-H108 WeakPolarHBondContact O-CA 3.39Å; D104-H108 WeakPolarHBondContact O-CB 3.34Å; D104-H108 PolarHBondContact O-N 3.42Å; D104-H108 IonicContact OD1-CD2 3.56Å; D104-H108 PolarHBondContact OD1-CD2 3.32Å; D104-H108 IonicContact OD1-CG 3.87Å; H108-H112 WeakPolarHBondContact O-CB 3.29Å; H108-H112 PolarHBondContact O-N 3.14Å; H108-E383 IonicContact CE1-OE1 3.99Å; H108-E383 PolarHBondContact CE1-OE1 3Å; H108-E383 IonicContact CE1-OE2 3.07Å; H108-E383 PolarHBondContact CE1-OE2 3.3Å; H108-E383 IonicContact ND1-OE1 3.35Å; H108-E383 IonicContact ND1-OE2 3.75Å; H108-E383 PolarHBondContact ND1-OE2 2.69Å; H108-E383 VanDerWaalsContact ND1-OE2 3.07Å; H108-E383 IonicContact NE2-OE1 2.69Å; H108-E383 PolarHBondContact NE2-OE1 3.23Å; H108-E383 IonicContact NE2-OE2 3.21Å |
| 109 | L | 90.6 | Very high | 84.2 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -64.8 | -51.5 | -171.1 | -59.9 | -179.3 | 0 | 0 | 0 | 113.9 | D104 A113 L317 T320 A321 F324 | D104-L109 PolarHBondContact O-N 3.26Å; D104-L109 VanDerWaalsContact OD2-CD1 3.29Å; D104-L109 WeakPolarHBondContact OD2-CD1 3.02Å; D104-L109 WeakPolarHBondContact OD2-CG 3.19Å; L109-A113 WeakPolarHBondContact O-CB 3.05Å; L109-A113 PolarHBondContact O-N 3.24Å; L109-A113 VanDerWaalsContact O-N 3.09Å; L109-L317 HydrophobicContact CD2-CD2 3.76Å; L109-T320 HydrophobicContact CD1-CG2 4.12Å; L109-A321 HydrophobicContact CB-CB 3.79Å; L109-A321 HydrophobicContact CD1-CB 3.9Å; L109-F324 HydrophobicContact CD1-CD2 4.03Å; L109-F324 HydrophobicContact CD1-CE2 4.34Å |
| 110 | I | 92.7 | Very high | 81.5 | Confident | 29 Ų | 29 | 50.3 Ų | 50.3 | 15% | 0.149 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.8 | -51.6 | -178.1 | -69.7 | 167.4 | 0 | 0 | 0 | 111.5 | A105 F106 H112 A113 L114 V145 A321 I325 | A105-I110 WeakPolarHBondContact O-CB 3.3Å; A105-I110 WeakPolarHBondContact O-CD1 3.43Å; A105-I110 WeakPolarHBondContact O-CG1 3.23Å; A105-I110 PolarHBondContact O-N 3.47Å; A105-I110 VanDerWaalsContact O-N 3.08Å; F106-I110 HydrophobicContact CD1-CD1 4.04Å; F106-I110 HydrophobicContact CE1-CD1 4.22Å; I110-H112 VanDerWaalsContact C-N 3.32Å; I110-H112 PolarHBondContact O-N 2.91Å; I110-A113 PolarHBondContact O-N 3.2Å; I110-L114 HydrophobicContact CG2-CD1 4.2Å; I110-L114 WeakPolarHBondContact O-CG 3.38Å; I110-L114 PolarHBondContact O-N 3.1Å; I110-L114 VanDerWaalsContact O-N 3.17Å; I110-V145 HydrophobicContact CD1-CG1 4.36Å; I110-V145 HydrophobicContact CD1-CG2 3.97Å; I110-V145 HydrophobicContact CG1-CG2 3.84Å; I110-A321 HydrophobicContact CD1-CB 4.16Å; I110-A321 HydrophobicContact CG1-CB 3.74Å; I110-I325 HydrophobicContact CD1-CD1 4.13Å |
| 111 | P | 89.9 | Confident | 78.9 | Confident | 37 Ų | 37 | 56 Ų | 56 | 24% | 0.24 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58 | -43.8 | 178.1 | -26.6 | 37.3 | 0 | 0 | 0 | 112.5 | F106 A113 L114 E115 | F106-P111 VanDerWaalsContact O-CD 3.3Å; F106-P111 WeakPolarHBondContact O-CD 3.23Å; F106-P111 VanDerWaalsContact O-CG 3.24Å; F106-P111 WeakPolarHBondContact O-CG 3.22Å; P111-A113 VanDerWaalsContact C-N 3.33Å; P111-A113 PolarHBondContact O-N 3.33Å; P111-L114 WeakPolarHBondContact O-CB 3.17Å; P111-L114 PolarHBondContact O-N 2.98Å; P111-E115 WeakPolarHBondContact O-CG 3.49Å; P111-E115 PolarHBondContact O-N 3.4Å |
| 112 | H | 85.3 | Confident | 76.1 | Confident | 82 Ų | 82 | 62.2 Ų | 62.2 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.9 | -46.5 | 177.6 | -168.7 | 91.8 | 0 | 0 | 0 | 111.3 | H108 I110 L114 E115 S116 L317 | H108-H112 WeakPolarHBondContact O-CB 3.29Å; H108-H112 PolarHBondContact O-N 3.14Å; I110-H112 VanDerWaalsContact C-N 3.32Å; I110-H112 PolarHBondContact O-N 2.91Å; H112-L114 PolarHBondContact O-N 2.64Å; H112-E115 PolarHBondContact O-N 3.35Å; H112-S116 PolarHBondContact O-N 3.44Å; H112-S116 PolarHBondContact O-OG 2.99Å; H112-L317 VanDerWaalsContact CD2-CD1 3.44Å; H112-L317 WeakPolarHBondContact CD2-CD1 3.44Å |
| 113 | A | 87.2 | Confident | 73.7 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.1 | -33.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L109 I110 P111 R137 V141 I313 P318 | L109-A113 WeakPolarHBondContact O-CB 3.05Å; L109-A113 PolarHBondContact O-N 3.24Å; L109-A113 VanDerWaalsContact O-N 3.09Å; I110-A113 PolarHBondContact O-N 3.2Å; P111-A113 VanDerWaalsContact C-N 3.33Å; P111-A113 PolarHBondContact O-N 3.33Å; A113-R137 PolarHBondContact O-NE 3.35Å; A113-R137 VanDerWaalsContact O-NE 3.09Å; A113-R137 PolarHBondContact O-NH2 2.87Å; A113-V141 HydrophobicContact CB-CG1 3.88Å; A113-V141 HydrophobicContact CB-CG2 3.9Å; A113-I313 VanDerWaalsContact CB-O 3.22Å; A113-I313 WeakPolarHBondContact CB-O 3.41Å; A113-P318 HydrophobicContact CB-CG 3.85Å |
| 114 | L | 89 | Confident | 70.7 | Confident | 50 Ų | 50 | 74.6 Ų | 74.6 | 26% | 0.262 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -76.4 | -40.9 | 178.9 | -66.8 | -179.3 | 0 | 0 | 0 | 112.8 | I110 P111 H112 H138 V141 | I110-L114 HydrophobicContact CG2-CD1 4.2Å; I110-L114 WeakPolarHBondContact O-CG 3.38Å; I110-L114 PolarHBondContact O-N 3.1Å; I110-L114 VanDerWaalsContact O-N 3.17Å; P111-L114 WeakPolarHBondContact O-CB 3.17Å; P111-L114 PolarHBondContact O-N 2.98Å; H112-L114 PolarHBondContact O-N 2.64Å; L114-H138 HydrophobicContact CD2-CB 4.3Å; L114-H138 VanDerWaalsContact CD2-ND1 3.27Å; L114-H138 WeakPolarHBondContact CD2-ND1 3.45Å; L114-V141 HydrophobicContact CD2-CB 3.65Å; L114-V141 HydrophobicContact CD2-CG1 3.64Å; L114-V141 HydrophobicContact CD2-CG2 3.89Å; L114-V141 HydrophobicContact CG-CG1 4.08Å |
| 115 | E | 80.9 | Confident | 68.1 | Low | 139 Ų | 139 | 83.1 Ų | 83.1 | 65% | 0.65 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -82.1 | -28.7 | -168.9 | -71.7 | -179.8 | -177.7 | 0 | 0 | 114.7 | P111 H112 G117 H118 | P111-E115 WeakPolarHBondContact O-CG 3.49Å; P111-E115 PolarHBondContact O-N 3.4Å; H112-E115 PolarHBondContact O-N 3.35Å; E115-G117 PolarHBondContact O-N 3.42Å; E115-H118 PolarHBondContact O-N 2.8Å |
| 116 | S | 67.8 | Low | 65.5 | Low | 33 Ų | 33 | 90.8 Ų | 90.8 | 23% | 0.231 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 3.7 | -174.9 | -27 | 0 | 0 | 0 | 0 | 115.1 | H112 I313 | H112-S116 PolarHBondContact O-N 3.44Å; H112-S116 PolarHBondContact O-OG 2.99Å; S116-I313 VanDerWaalsContact OG-CG2 3.28Å; S116-I313 WeakPolarHBondContact OG-CG2 3.44Å |
| 117 | G | 54.1 | Low | 62.8 | Low | 47 Ų | 47 | 94.1 Ų | 94.1 | 49% | 0.485 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -9.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | E115 | E115-G117 PolarHBondContact O-N 3.42Š|
| 118 | H | 49.7 | Very low | 60.5 | Low | 159 Ų | 159 | 97.7 Ų | 97.7 | 74% | 0.736 | 52% | 0.52 | S | S | * | . | trans | -100.8 | -4.2 | -171.5 | -73 | -56.8 | 0 | 0 | 0 | 115.8 | E115 N120 | E115-H118 PolarHBondContact O-N 2.8Å; H118-N120 PolarHBondContact O-N 3.1Å; H118-N120 VanDerWaalsContact O-N 3.11Å | ||
| 119 | S | 40.5 | Very low | 58.9 | Low | 98 Ų | 98 | 101.1 Ų | 101.1 | 69% | 0.685 | 54% | 0.538 | S | S | * | . | trans | -88.5 | 73 | -175.8 | 43.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 120 | N | 38.2 | Very low | 57 | Low | 114 Ų | 114 | 108.9 Ų | 108.9 | 61% | 0.61 | 57% | 0.572 | S | S | * | * | trans | -146 | 95.4 | 150.3 | -148.4 | -7.9 | 0 | 0 | 0 | 110.9 | H118 N122 | H118-N120 PolarHBondContact O-N 3.1Å; H118-N120 VanDerWaalsContact O-N 3.11Å; N120-N122 VanDerWaalsContact C-N 3.26Å; N120-N122 PolarHBondContact O-N 2.86Å | ||
| 121 | P | 39.6 | Very low | 55.1 | Low | 121 Ų | 121 | 113.6 Ų | 113.6 | 79% | 0.786 | 60% | 0.597 | S | S | * | * | trans | -76.9 | -0.8 | -176.6 | -13 | 28.6 | 0 | 0 | 0 | 115.1 | ||||
| 122 | N | 37.6 | Very low | 53.4 | Low | 132 Ų | 132 | 117.3 Ų | 117.3 | 71% | 0.706 | 61% | 0.611 | S | S | * | * | trans | -106.2 | 29.4 | -163.9 | -74.8 | -18.4 | 0 | 0 | 0 | 116.2 | N120 | N120-N122 VanDerWaalsContact C-N 3.26Å; N120-N122 PolarHBondContact O-N 2.86Å | ||
| 123 | H | 44.4 | Very low | 51.9 | Low | 163 Ų | 163 | 119.5 Ų | 119.5 | 76% | 0.755 | 62% | 0.622 | S | S | * | * | trans | -124.8 | 98.5 | 167 | -71.6 | -66.4 | 0 | 0 | 0 | 111.7 | ||||
| 124 | T | 33.2 | Very low | 50.7 | Low | 122 Ų | 122 | 120.7 Ų | 120.7 | 75% | 0.748 | 63% | 0.634 | S | S | * | * | trans | -64.6 | 134.3 | 159.3 | 48.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 125 | H | 38.5 | Very low | 49.5 | Very low | 180 Ų | 180 | 124.4 Ų | 124.4 | 83% | 0.833 | 65% | 0.649 | S | S | * | * | trans | 75.2 | 88.6 | 171.7 | -55.7 | -73.4 | 0 | 0 | 0 | 117.8 | ||||
| 126 | E | 38.4 | Very low | 49.2 | Very low | 161 Ų | 161 | 122.1 Ų | 122.1 | 75% | 0.752 | 64% | 0.637 | S | S | * | * | -174.6 | 108.1 | 120.2 | -102.3 | 178.3 | -179.5 | 0 | 0 | 109.6 | |||||
| 127 | E | 39.1 | Very low | 49.5 | Very low | 182 Ų | 182 | 123 Ų | 123 | 85% | 0.85 | 64% | 0.636 | S | S | * | * | trans | -79 | 116.9 | 165.1 | -68.4 | -173.5 | 157.3 | 0 | 0 | 107.5 | ||||
| 128 | N | 45.6 | Very low | 50.9 | Low | 160 Ų | 160 | 125.2 Ų | 125.2 | 86% | 0.856 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 148.4 | 5.9 | 153.9 | -78.7 | -56.6 | 0 | 0 | 0 | 116.4 | ||
| 129 | I | 53.7 | Low | 52.6 | Low | 110 Ų | 110 | 121.6 Ų | 121.6 | 56% | 0.564 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -126.3 | 38.1 | 175.7 | -40.6 | 179.4 | 0 | 0 | 0 | 112.4 | ||
| 130 | K | 52.6 | Low | 54.9 | Low | 168 Ų | 168 | 123.4 Ų | 123.4 | 73% | 0.73 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -98.3 | -25.7 | -179.6 | -70.3 | -172.9 | 177.8 | -179.1 | 0 | 114.2 | ||
| 131 | D | 52.7 | Low | 57.4 | Low | 127 Ų | 127 | 118.1 Ų | 118.1 | 68% | 0.679 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -77.1 | -35.5 | -173 | -64 | -29.4 | 0 | 0 | 0 | 113.3 | H133 H135 | D131-H133 PolarHBondContact O-N 3.25Å; D131-H135 PolarHBondContact O-CD2 2.94Å; D131-H135 PolarHBondContact O-N 3.45Å |
| 132 | E | 53 | Low | 60 | Low | 116 Ų | 116 | 114 Ų | 114 | 54% | 0.542 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -71.3 | -34.2 | -174.6 | -145.8 | -164.9 | 146.9 | 0 | 0 | 113 | K136 | E132-K136 VanDerWaalsContact O-CG 3.3Å; E132-K136 WeakPolarHBondContact O-CG 3.41Å; E132-K136 PolarHBondContact O-N 3.3Å; E132-K136 VanDerWaalsContact OE1-CE 3.28Å; E132-K136 WeakPolarHBondContact OE1-CE 3.35Å; E132-K136 IonicContact OE1-NZ 3.01Å; E132-K136 PolarHBondContact OE1-NZ 3.22Å |
| 133 | H | 54.9 | Low | 62.7 | Low | 128 Ų | 128 | 112.9 Ų | 112.9 | 59% | 0.593 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -75.7 | -37.7 | 179.3 | -75 | -57.5 | 0 | 0 | 0 | 112.7 | D131 K136 R137 | D131-H133 PolarHBondContact O-N 3.25Å; H133-K136 PolarHBondContact O-N 2.89Å; H133-R137 PolarHBondContact O-N 2.93Å; H133-R137 VanDerWaalsContact O-N 3.1Å |
| 134 | G | 60.3 | Low | 65 | Low | 25 Ų | 25 | 109.3 Ų | 109.3 | 26% | 0.258 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.6 | -51.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K136 R137 H138 | G134-K136 VanDerWaalsContact C-N 3.3Å; G134-K136 PolarHBondContact O-N 3.25Å; G134-R137 PolarHBondContact O-N 3.48Å; G134-R137 VanDerWaalsContact O-N 3.11Å; G134-H138 PolarHBondContact O-CD2 3.43Å; G134-H138 PolarHBondContact O-N 2.94Å |
| 135 | H | 65.6 | Low | 68 | Low | 127 Ų | 127 | 104.3 Ų | 104.3 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.4 | -38.2 | 179.6 | -71.3 | -49.8 | 0 | 0 | 0 | 113.4 | D131 S139 | D131-H135 PolarHBondContact O-CD2 2.94Å; D131-H135 PolarHBondContact O-N 3.45Å; H135-S139 WeakPolarHBondContact O-CB 3.47Å; H135-S139 PolarHBondContact O-N 3.41Å; H135-S139 VanDerWaalsContact O-N 3.12Å; H135-S139 PolarHBondContact O-OG 3.07Å |
| 136 | K | 73.9 | Confident | 70.8 | Confident | 91 Ų | 91 | 98.9 Ų | 98.9 | 40% | 0.396 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 174.8 | -75.4 | 174.4 | -172.4 | 169.8 | 0 | 111 | E132 H133 G134 S139 Y140 | E132-K136 VanDerWaalsContact O-CG 3.3Å; E132-K136 WeakPolarHBondContact O-CG 3.41Å; E132-K136 PolarHBondContact O-N 3.3Å; E132-K136 VanDerWaalsContact OE1-CE 3.28Å; E132-K136 WeakPolarHBondContact OE1-CE 3.35Å; E132-K136 IonicContact OE1-NZ 3.01Å; E132-K136 PolarHBondContact OE1-NZ 3.22Å; H133-K136 PolarHBondContact O-N 2.89Å; G134-K136 VanDerWaalsContact C-N 3.3Å; G134-K136 PolarHBondContact O-N 3.25Å; K136-S139 WeakPolarHBondContact O-CB 3.25Å; K136-S139 PolarHBondContact O-N 2.98Å; K136-Y140 HydrophobicContact CB-CD2 4.39Å; K136-Y140 HydrophobicContact CB-CE2 4.1Å; K136-Y140 WeakPolarHBondContact O-CD2 3.22Å; K136-Y140 PolarHBondContact O-N 3.48Å |
| 137 | R | 74.7 | Confident | 73.5 | Confident | 53 Ų | 53 | 92.6 Ų | 92.6 | 20% | 0.2 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63.2 | -47.9 | -179.7 | -173.2 | 176.3 | 175 | 107.1 | -2.5 | 112.6 | A113 H133 G134 S139 Y140 V141 | A113-R137 PolarHBondContact O-NE 3.35Å; A113-R137 VanDerWaalsContact O-NE 3.09Å; A113-R137 PolarHBondContact O-NH2 2.87Å; H133-R137 PolarHBondContact O-N 2.93Å; H133-R137 VanDerWaalsContact O-N 3.1Å; G134-R137 PolarHBondContact O-N 3.48Å; G134-R137 VanDerWaalsContact O-N 3.11Å; R137-S139 PolarHBondContact O-N 3.46Å; R137-Y140 PolarHBondContact O-N 2.98Å; R137-Y140 VanDerWaalsContact O-N 3.08Å; R137-V141 HydrophobicContact CG-CG2 4.49Å; R137-V141 PolarHBondContact O-N 3.14Å |
| 138 | H | 83 | Confident | 76 | Confident | 92 Ų | 92 | 83.9 Ų | 83.9 | 43% | 0.426 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -56 | -40.9 | 175.8 | -67 | -70.9 | 0 | 0 | 0 | 111.5 | L114 G134 G142 | L114-H138 HydrophobicContact CD2-CB 4.3Å; L114-H138 VanDerWaalsContact CD2-ND1 3.27Å; L114-H138 WeakPolarHBondContact CD2-ND1 3.45Å; G134-H138 PolarHBondContact O-CD2 3.43Å; G134-H138 PolarHBondContact O-N 2.94Å; H138-G142 PolarHBondContact O-N 3.5Å; H138-G142 VanDerWaalsContact O-N 3.09Å |
| 139 | S | 84.9 | Confident | 78.4 | Confident | 83 Ų | 83 | 78.5 Ų | 78.5 | 58% | 0.58 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.4 | -41 | 176.9 | -58 | 0 | 0 | 0 | 0 | 112.3 | H135 K136 R137 L143 | H135-S139 WeakPolarHBondContact O-CB 3.47Å; H135-S139 PolarHBondContact O-N 3.41Å; H135-S139 VanDerWaalsContact O-N 3.12Å; H135-S139 PolarHBondContact O-OG 3.07Å; K136-S139 WeakPolarHBondContact O-CB 3.25Å; K136-S139 PolarHBondContact O-N 2.98Å; R137-S139 PolarHBondContact O-N 3.46Å; S139-L143 WeakPolarHBondContact O-CB 3.49Å; S139-L143 PolarHBondContact O-N 3.35Å |
| 140 | Y | 88.3 | Confident | 80.4 | Confident | 137 Ų | 137 | 79.2 Ų | 79.2 | 54% | 0.537 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.6 | -44.3 | 176.8 | -74.9 | -62.9 | 0 | 0 | 0 | 112.4 | K136 R137 G142 L143 Y144 | K136-Y140 HydrophobicContact CB-CD2 4.39Å; K136-Y140 HydrophobicContact CB-CE2 4.1Å; K136-Y140 WeakPolarHBondContact O-CD2 3.22Å; K136-Y140 PolarHBondContact O-N 3.48Å; R137-Y140 PolarHBondContact O-N 2.98Å; R137-Y140 VanDerWaalsContact O-N 3.08Å; Y140-G142 VanDerWaalsContact C-N 3.32Å; Y140-G142 PolarHBondContact O-N 3.05Å; Y140-L143 HydrophobicContact CD1-CD2 4.46Å; Y140-L143 WeakPolarHBondContact O-CA 3.47Å; Y140-L143 WeakPolarHBondContact O-CB 3.41Å; Y140-L143 PolarHBondContact O-N 3.31Å; Y140-L143 VanDerWaalsContact O-N 3.08Å; Y140-Y144 WeakPolarHBondContact O-CD2 3.34Å; Y140-Y144 PolarHBondContact O-N 3.44Å |
| 141 | V | 91.1 | Very high | 82.2 | Confident | 2 Ų | 2 | 72.8 Ų | 72.8 | 1% | 0.012 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.4 | -49 | 176.1 | 169.1 | 0 | 0 | 0 | 0 | 110.1 | A113 L114 R137 L143 Y144 V145 P318 | A113-V141 HydrophobicContact CB-CG1 3.88Å; A113-V141 HydrophobicContact CB-CG2 3.9Å; L114-V141 HydrophobicContact CD2-CB 3.65Å; L114-V141 HydrophobicContact CD2-CG1 3.64Å; L114-V141 HydrophobicContact CD2-CG2 3.89Å; L114-V141 HydrophobicContact CG-CG1 4.08Å; R137-V141 HydrophobicContact CG-CG2 4.49Å; R137-V141 PolarHBondContact O-N 3.14Å; V141-L143 VanDerWaalsContact C-N 3.31Å; V141-L143 PolarHBondContact O-N 3.36Å; V141-Y144 PolarHBondContact O-N 3.19Å; V141-V145 WeakPolarHBondContact O-CG2 3.48Å; V141-V145 PolarHBondContact O-N 2.8Å; V141-P318 HydrophobicContact CB-CG 4.33Å; V141-P318 HydrophobicContact CG1-CB 3.96Å; V141-P318 HydrophobicContact CG1-CG 3.99Å; V141-P318 HydrophobicContact CG2-CG 4.26Å; V141-P318 WeakPolarHBondContact O-CB 3.46Å |
| 142 | G | 93.6 | Very high | 84.1 | Confident | 36 Ų | 36 | 67.4 Ų | 67.4 | 37% | 0.371 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.1 | -40.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | H138 Y140 Y144 V145 V146 | H138-G142 PolarHBondContact O-N 3.5Å; H138-G142 VanDerWaalsContact O-N 3.09Å; Y140-G142 VanDerWaalsContact C-N 3.32Å; Y140-G142 PolarHBondContact O-N 3.05Å; G142-Y144 PolarHBondContact O-N 3.48Å; G142-V145 PolarHBondContact O-N 3.17Å; G142-V146 WeakPolarHBondContact O-CG2 3.36Å; G142-V146 PolarHBondContact O-N 3.45Å |
| 143 | L | 94.3 | Very high | 86 | Confident | 107 Ų | 107 | 64.8 Ų | 64.8 | 56% | 0.56 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.4 | -41.5 | 176.7 | -177.9 | 64.2 | 0 | 0 | 0 | 112.2 | S139 Y140 V141 V146 G147 | S139-L143 WeakPolarHBondContact O-CB 3.49Å; S139-L143 PolarHBondContact O-N 3.35Å; Y140-L143 HydrophobicContact CD1-CD2 4.46Å; Y140-L143 WeakPolarHBondContact O-CA 3.47Å; Y140-L143 WeakPolarHBondContact O-CB 3.41Å; Y140-L143 PolarHBondContact O-N 3.31Å; Y140-L143 VanDerWaalsContact O-N 3.08Å; V141-L143 VanDerWaalsContact C-N 3.31Å; V141-L143 PolarHBondContact O-N 3.36Å; L143-V146 PolarHBondContact O-N 3.28Å; L143-G147 PolarHBondContact O-N 2.89Å |
| 144 | Y | 93.7 | Very high | 87.7 | Confident | 89 Ų | 89 | 62.2 Ų | 62.2 | 35% | 0.349 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -72.7 | -33.5 | 178.1 | -76.5 | -72.4 | 0 | 0 | 0 | 112.7 | Y140 V141 G142 G147 G148 G314 C315 F319 | Y140-Y144 WeakPolarHBondContact O-CD2 3.34Å; Y140-Y144 PolarHBondContact O-N 3.44Å; V141-Y144 PolarHBondContact O-N 3.19Å; G142-Y144 PolarHBondContact O-N 3.48Å; Y144-G147 CarbonylContact O-C 3.58Å; Y144-G147 WeakPolarHBondContact O-CA 3.21Å; Y144-G147 PolarHBondContact O-N 3.19Å; Y144-G148 PolarHBondContact O-N 3.18Å; Y144-G314 WeakPolarHBondContact CD2-O 3.19Å; Y144-C315 HydrophobicContact CD1-CB 3.94Å; Y144-C315 VanDerWaalsContact CD1-SG 3.52Å; Y144-C315 HydrophobicContact CD2-CB 4.13Å; Y144-C315 HydrophobicContact CE1-CB 3.69Å; Y144-C315 WeakPolarHBondContact CE1-SG 3.31Å; Y144-C315 HydrophobicContact CE2-CB 3.88Å; Y144-C315 HydrophobicContact CG-CB 4.17Å; Y144-F319 WeakPolarHBondContact O-CA 3.36Å |
| 145 | V | 96.5 | Very high | 89 | Confident | 16 Ų | 16 | 64.4 Ų | 64.4 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.9 | -49.3 | 168.9 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | I110 V141 G142 G147 G148 I149 P318 G322 I325 | I110-V145 HydrophobicContact CD1-CG1 4.36Å; I110-V145 HydrophobicContact CD1-CG2 3.97Å; I110-V145 HydrophobicContact CG1-CG2 3.84Å; V141-V145 WeakPolarHBondContact O-CG2 3.48Å; V141-V145 PolarHBondContact O-N 2.8Å; G142-V145 PolarHBondContact O-N 3.17Å; V145-G147 VanDerWaalsContact C-N 3.28Å; V145-G147 PolarHBondContact O-N 3.03Å; V145-G148 PolarHBondContact O-N 2.89Å; V145-I149 HydrophobicContact CG1-CD1 4.19Å; V145-I149 WeakPolarHBondContact O-CG1 3.1Å; V145-I149 PolarHBondContact O-N 3.45Å; V145-P318 VanDerWaalsContact CA-O 3.27Å; V145-P318 WeakPolarHBondContact CA-O 3.23Å; V145-P318 HydrophobicContact CG2-CB 3.65Å; V145-P318 WeakPolarHBondContact CG2-O 3.18Å; V145-G322 WeakPolarHBondContact O-CA 3.41Å; V145-I325 HydrophobicContact CG1-CD1 4.08Å |
| 146 | V | 96.7 | Very high | 90.1 | Very high | 66 Ų | 66 | 59.3 Ų | 59.3 | 40% | 0.4 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 175.8 | 173.6 | 0 | 0 | 0 | 0 | 111 | G142 L143 G148 I149 F150 | G142-V146 WeakPolarHBondContact O-CG2 3.36Å; G142-V146 PolarHBondContact O-N 3.45Å; L143-V146 PolarHBondContact O-N 3.28Å; V146-G148 VanDerWaalsContact C-N 3.35Å; V146-G148 PolarHBondContact O-N 3.39Å; V146-I149 PolarHBondContact O-N 2.96Å; V146-F150 HydrophobicContact CG1-CD1 4.45Å; V146-F150 HydrophobicContact CG1-CD2 4.3Å; V146-F150 HydrophobicContact CG1-CE1 4.34Å; V146-F150 HydrophobicContact CG1-CE2 4.18Å; V146-F150 HydrophobicContact CG1-CG 4.43Å; V146-F150 HydrophobicContact CG1-CZ 4.21Å; V146-F150 WeakPolarHBondContact O-CB 3.31Å; V146-F150 PolarHBondContact O-N 3.41Å |
| 147 | G | 94.7 | Very high | 90.7 | Very high | 29 Ų | 29 | 61 Ų | 61 | 30% | 0.299 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58 | -43.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L143 Y144 V145 F150 A151 | L143-G147 PolarHBondContact O-N 2.89Å; Y144-G147 CarbonylContact O-C 3.58Å; Y144-G147 WeakPolarHBondContact O-CA 3.21Å; Y144-G147 PolarHBondContact O-N 3.19Å; V145-G147 VanDerWaalsContact C-N 3.28Å; V145-G147 PolarHBondContact O-N 3.03Å; G147-F150 PolarHBondContact O-N 2.93Å; G147-A151 VanDerWaalsContact O-CB 3.23Å; G147-A151 WeakPolarHBondContact O-CB 3.48Å; G147-A151 PolarHBondContact O-N 3.02Å |
| 148 | G | 92.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.7 | -50.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y144 V145 V146 F150 A151 F152 F319 | Y144-G148 PolarHBondContact O-N 3.18Å; V145-G148 PolarHBondContact O-N 2.89Å; V146-G148 VanDerWaalsContact C-N 3.35Å; V146-G148 PolarHBondContact O-N 3.39Å; G148-F150 VanDerWaalsContact C-N 3.31Å; G148-F150 PolarHBondContact O-N 3.27Å; G148-A151 PolarHBondContact O-N 2.86Å; G148-F152 VanDerWaalsContact O-CD2 3.32Å; G148-F152 WeakPolarHBondContact O-CD2 3.25Å; G148-F152 PolarHBondContact O-N 2.8Å; G148-F319 VanDerWaalsContact CA-CD2 3.45Å; G148-F319 WeakPolarHBondContact CA-O 3.11Å |
| 149 | I | 95.7 | Very high | 91.2 | Very high | 46 Ų | 46 | 59 Ų | 59 | 24% | 0.236 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.4 | -47 | 176.8 | -66.5 | 166.5 | 0 | 0 | 0 | 110.7 | V145 V146 L153 G322 I325 Y326 | V145-I149 HydrophobicContact CG1-CD1 4.19Å; V145-I149 WeakPolarHBondContact O-CG1 3.1Å; V145-I149 PolarHBondContact O-N 3.45Å; V146-I149 PolarHBondContact O-N 2.96Å; I149-L153 WeakPolarHBondContact O-CB 3.5Å; I149-L153 PolarHBondContact O-N 3.45Å; I149-G322 WeakPolarHBondContact CG1-O 3.37Å; I149-I325 HydrophobicContact CD1-CG2 4.3Å; I149-Y326 HydrophobicContact CG2-CD2 4.06Å |
| 150 | F | 95.5 | Very high | 91 | Very high | 126 Ų | 126 | 58.3 Ų | 58.3 | 55% | 0.553 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -71.9 | -37.4 | -178.3 | -79.9 | 10.8 | 0 | 0 | 0 | 112.7 | V146 G147 G148 L153 C154 | V146-F150 HydrophobicContact CG1-CD1 4.45Å; V146-F150 HydrophobicContact CG1-CD2 4.3Å; V146-F150 HydrophobicContact CG1-CE1 4.34Å; V146-F150 HydrophobicContact CG1-CE2 4.18Å; V146-F150 HydrophobicContact CG1-CG 4.43Å; V146-F150 HydrophobicContact CG1-CZ 4.21Å; V146-F150 WeakPolarHBondContact O-CB 3.31Å; V146-F150 PolarHBondContact O-N 3.41Å; G147-F150 PolarHBondContact O-N 2.93Å; G148-F150 VanDerWaalsContact C-N 3.31Å; G148-F150 PolarHBondContact O-N 3.27Å; F150-L153 PolarHBondContact O-N 3.03Å; F150-C154 VanDerWaalsContact O-CB 3.27Å; F150-C154 WeakPolarHBondContact O-CB 3.46Å; F150-C154 PolarHBondContact O-N 3.45Å; F150-C154 PolarHBondContact O-SG 3.35Å |
| 151 | A | 91.4 | Very high | 90.7 | Very high | 32 Ų | 32 | 57.1 Ų | 57.1 | 26% | 0.264 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | G147 G148 L153 C154 V155 F319 | G147-A151 VanDerWaalsContact O-CB 3.23Å; G147-A151 WeakPolarHBondContact O-CB 3.48Å; G147-A151 PolarHBondContact O-N 3.02Å; G148-A151 PolarHBondContact O-N 2.86Å; A151-L153 PolarHBondContact O-N 3.15Å; A151-C154 WeakPolarHBondContact O-CB 3.47Å; A151-C154 PolarHBondContact O-N 3.43Å; A151-V155 VanDerWaalsContact O-CG2 3.31Å; A151-V155 WeakPolarHBondContact O-CG2 3.3Å; A151-V155 PolarHBondContact O-N 2.96Å; A151-F319 HydrophobicContact CB-CE2 3.61Å; A151-F319 HydrophobicContact CB-CZ 3.72Å |
| 152 | F | 91.1 | Very high | 90.1 | Very high | 14 Ų | 14 | 64.2 Ų | 64.2 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 178 | -86.4 | -113.8 | 0 | 0 | 0 | 112.2 | G148 C154 V155 E156 L209 A212 A213 F319 Y326 I327 | G148-F152 VanDerWaalsContact O-CD2 3.32Å; G148-F152 WeakPolarHBondContact O-CD2 3.25Å; G148-F152 PolarHBondContact O-N 2.8Å; F152-C154 PolarHBondContact O-N 2.86Å; F152-V155 PolarHBondContact O-N 3.17Å; F152-E156 WeakPolarHBondContact O-CB 3.44Å; F152-E156 PolarHBondContact O-N 3.33Å; F152-L209 HydrophobicContact CD1-CB 4.49Å; F152-L209 HydrophobicContact CD1-CD2 4.26Å; F152-L209 WeakPolarHBondContact CE1-O 3.29Å; F152-A212 HydrophobicContact CZ-CB 4.45Å; F152-A213 HydrophobicContact CE1-CB 3.62Å; F152-A213 HydrophobicContact CZ-CB 3.79Å; F152-F319 HydrophobicContact CE2-CE1 4.24Å; F152-F319 HydrophobicContact CE2-CZ 4.45Å; F152-Y326 HydrophobicContact CB-CD1 3.57Å; F152-Y326 HydrophobicContact CB-CE1 4.11Å; F152-Y326 HydrophobicContact CB-CG 3.81Å; F152-Y326 HydrophobicContact CD1-CD1 4.37Å; F152-Y326 HydrophobicContact CG-CD1 4.43Å; F152-I327 HydrophobicContact CD1-CD1 4.2Å; F152-I327 HydrophobicContact CD1-CG1 4.16Å; F152-I327 HydrophobicContact CE1-CD1 4.5Å; F152-I327 HydrophobicContact CE1-CG1 4.29Å |
| 153 | L | 92.9 | Very high | 88.9 | Confident | 62 Ų | 62 | 67.4 Ų | 67.4 | 33% | 0.325 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.7 | -46.6 | 171.2 | 177.5 | 67 | 0 | 0 | 0 | 112 | I149 F150 A151 E156 K157 Y326 | I149-L153 WeakPolarHBondContact O-CB 3.5Å; I149-L153 PolarHBondContact O-N 3.45Å; F150-L153 PolarHBondContact O-N 3.03Å; A151-L153 PolarHBondContact O-N 3.15Å; L153-E156 PolarHBondContact O-N 2.81Å; L153-K157 HydrophobicContact CD1-CG 4.23Å; L153-K157 HydrophobicContact CG-CG 4.45Å; L153-K157 WeakPolarHBondContact O-CB 3.44Å; L153-K157 VanDerWaalsContact O-CG 3.24Å; L153-K157 WeakPolarHBondContact O-CG 3.24Å; L153-K157 PolarHBondContact O-N 3.17Å; L153-Y326 HydrophobicContact CB-CD2 4.39Å; L153-Y326 HydrophobicContact CB-CE2 3.65Å; L153-Y326 HydrophobicContact CD1-CE2 3.96Å; L153-Y326 WeakPolarHBondContact CD1-OH 3.2Å; L153-Y326 HydrophobicContact CG-CE2 4.38Å |
| 154 | C | 91.7 | Very high | 87.2 | Confident | 74 Ų | 74 | 67.1 Ų | 67.1 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.1 | -47.4 | 179.5 | -78.4 | 0 | 0 | 0 | 0 | 111.1 | F150 A151 F152 E156 K157 C158 | F150-C154 VanDerWaalsContact O-CB 3.27Å; F150-C154 WeakPolarHBondContact O-CB 3.46Å; F150-C154 PolarHBondContact O-N 3.45Å; F150-C154 PolarHBondContact O-SG 3.35Å; A151-C154 WeakPolarHBondContact O-CB 3.47Å; A151-C154 PolarHBondContact O-N 3.43Å; F152-C154 PolarHBondContact O-N 2.86Å; C154-E156 VanDerWaalsContact C-N 3.32Å; C154-E156 PolarHBondContact O-N 3.13Å; C154-K157 PolarHBondContact O-N 3.33Å; C154-C158 VanDerWaalsContact O-CB 3.3Å; C154-C158 WeakPolarHBondContact O-CB 3.43Å; C154-C158 PolarHBondContact O-N 3.41Å; C154-C158 PolarHBondContact O-SG 2.81Å |
| 155 | V | 87 | Confident | 85.2 | Confident | 71 Ų | 71 | 69.1 Ų | 69.1 | 43% | 0.43 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 176.6 | 173.4 | 0 | 0 | 0 | 0 | 110 | A151 F152 K157 C158 I159 L209 | A151-V155 VanDerWaalsContact O-CG2 3.31Å; A151-V155 WeakPolarHBondContact O-CG2 3.3Å; A151-V155 PolarHBondContact O-N 2.96Å; F152-V155 PolarHBondContact O-N 3.17Å; V155-K157 PolarHBondContact O-N 3.16Å; V155-C158 PolarHBondContact O-N 3.39Å; V155-I159 HydrophobicContact CG1-CD1 3.66Å; V155-I159 HydrophobicContact CG1-CG1 4.36Å; V155-I159 VanDerWaalsContact O-CG1 3.24Å; V155-I159 WeakPolarHBondContact O-CG1 3.27Å; V155-I159 PolarHBondContact O-N 2.83Å; V155-L209 HydrophobicContact CB-CD2 3.96Å; V155-L209 HydrophobicContact CG1-CD2 3.59Å |
| 156 | E | 87.9 | Confident | 82.8 | Confident | 20 Ų | 20 | 76.7 Ų | 76.7 | 9% | 0.093 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.4 | -48.8 | 176.7 | -169.9 | 176.5 | 153.5 | 0 | 0 | 111.7 | F152 L153 C154 I159 R160 V205 L209 Y326 | F152-E156 WeakPolarHBondContact O-CB 3.44Å; F152-E156 PolarHBondContact O-N 3.33Å; L153-E156 PolarHBondContact O-N 2.81Å; C154-E156 VanDerWaalsContact C-N 3.32Å; C154-E156 PolarHBondContact O-N 3.13Å; E156-I159 PolarHBondContact O-N 3.03Å; E156-R160 WeakPolarHBondContact O-CB 3.32Å; E156-R160 VanDerWaalsContact O-CG 3.23Å; E156-R160 WeakPolarHBondContact O-CG 3.29Å; E156-R160 PolarHBondContact O-N 3.04Å; E156-R160 IonicContact OE1-CZ 2.77Å; E156-R160 IonicContact OE1-NE 2.73Å; E156-R160 PolarHBondContact OE1-NE 3.2Å; E156-R160 IonicContact OE1-NH2 3.96Å; E156-R160 PolarHBondContact OE1-NH2 3.17Å; E156-V205 HydrophobicContact CG-CG1 3.96Å; E156-L209 HydrophobicContact CB-CD1 3.58Å; E156-L209 HydrophobicContact CB-CD2 4.49Å; E156-L209 HydrophobicContact CG-CD1 3.68Å; E156-Y326 WeakPolarHBondContact OE2-CE1 3.04Å; E156-Y326 PolarHBondContact OE2-OH 2.94Å |
| 157 | K | 87.2 | Confident | 80.3 | Confident | 125 Ų | 125 | 79.3 Ų | 79.3 | 54% | 0.543 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 178.5 | -76.1 | -70.9 | -176.6 | 178.4 | 0 | 111.6 | L153 C154 V155 R160 L161 | L153-K157 HydrophobicContact CD1-CG 4.23Å; L153-K157 HydrophobicContact CG-CG 4.45Å; L153-K157 WeakPolarHBondContact O-CB 3.44Å; L153-K157 VanDerWaalsContact O-CG 3.24Å; L153-K157 WeakPolarHBondContact O-CG 3.24Å; L153-K157 PolarHBondContact O-N 3.17Å; C154-K157 PolarHBondContact O-N 3.33Å; V155-K157 PolarHBondContact O-N 3.16Å; K157-R160 PolarHBondContact O-N 2.8Å; K157-L161 WeakPolarHBondContact O-CB 3.44Å; K157-L161 VanDerWaalsContact O-CG 3.27Å; K157-L161 WeakPolarHBondContact O-CG 3.38Å; K157-L161 PolarHBondContact O-N 3.22Å |
| 158 | C | 85.7 | Confident | 77.5 | Confident | 56 Ų | 56 | 81.6 Ų | 81.6 | 38% | 0.378 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.6 | -50.3 | 177 | -75.1 | 0 | 0 | 0 | 0 | 111 | C154 V155 R160 L161 F162 | C154-C158 VanDerWaalsContact O-CB 3.3Å; C154-C158 WeakPolarHBondContact O-CB 3.43Å; C154-C158 PolarHBondContact O-N 3.41Å; C154-C158 PolarHBondContact O-SG 2.81Å; V155-C158 PolarHBondContact O-N 3.39Å; C158-R160 VanDerWaalsContact C-N 3.26Å; C158-R160 PolarHBondContact O-N 2.8Å; C158-L161 PolarHBondContact O-N 3.47Å; C158-L161 VanDerWaalsContact O-N 3.1Å; C158-F162 HydrophobicContact CB-CD2 4.19Å; C158-F162 HydrophobicContact CB-CE2 4.02Å; C158-F162 WeakPolarHBondContact O-CD2 3.24Å; C158-F162 PolarHBondContact O-N 2.95Å |
| 159 | I | 82.1 | Confident | 74.6 | Confident | 49 Ų | 49 | 84.2 Ų | 84.2 | 25% | 0.251 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 179.2 | -65.2 | 167.6 | 0 | 0 | 0 | 110.9 | V155 E156 R163 V205 | V155-I159 HydrophobicContact CG1-CD1 3.66Å; V155-I159 HydrophobicContact CG1-CG1 4.36Å; V155-I159 VanDerWaalsContact O-CG1 3.24Å; V155-I159 WeakPolarHBondContact O-CG1 3.27Å; V155-I159 PolarHBondContact O-N 2.83Å; E156-I159 PolarHBondContact O-N 3.03Å; I159-R163 WeakPolarHBondContact O-CB 3.45Å; I159-R163 WeakPolarHBondContact O-CD 3.45Å; I159-R163 WeakPolarHBondContact O-CG 3.5Å; I159-R163 PolarHBondContact O-N 3.3Å; I159-V205 HydrophobicContact CB-CG1 4.06Å; I159-V205 HydrophobicContact CB-CG2 4.46Å; I159-V205 HydrophobicContact CD1-CG1 4.17Å; I159-V205 HydrophobicContact CG2-CB 4.32Å; I159-V205 HydrophobicContact CG2-CG1 3.89Å; I159-V205 HydrophobicContact CG2-CG2 3.53Å |
| 160 | R | 82 | Confident | 71.7 | Confident | 68 Ų | 68 | 90 Ų | 90 | 26% | 0.257 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.7 | -37.9 | 176 | -71.5 | 172.6 | -176.3 | -84.3 | 4.2 | 112.4 | E156 K157 C158 N164 D202 | E156-R160 WeakPolarHBondContact O-CB 3.32Å; E156-R160 VanDerWaalsContact O-CG 3.23Å; E156-R160 WeakPolarHBondContact O-CG 3.29Å; E156-R160 PolarHBondContact O-N 3.04Å; E156-R160 IonicContact OE1-CZ 2.77Å; E156-R160 IonicContact OE1-NE 2.73Å; E156-R160 PolarHBondContact OE1-NE 3.2Å; E156-R160 IonicContact OE1-NH2 3.96Å; E156-R160 PolarHBondContact OE1-NH2 3.17Å; K157-R160 PolarHBondContact O-N 2.8Å; C158-R160 VanDerWaalsContact C-N 3.26Å; C158-R160 PolarHBondContact O-N 2.8Å; R160-N164 VanDerWaalsContact O-CG 3.31Å; R160-N164 PolarHBondContact O-N 3.45Å; R160-N164 PolarHBondContact O-ND2 3.12Å; R160-N164 VanDerWaalsContact O-ND2 3.15Å; R160-D202 IonicContact CZ-OD1 3.05Å; R160-D202 IonicContact NH1-OD1 2.7Å; R160-D202 PolarHBondContact NH1-OD1 2.89Å; R160-D202 IonicContact NH1-OD2 3.5Å |
| 161 | L | 82.1 | Confident | 68.8 | Low | 111 Ų | 111 | 90.8 Ų | 90.8 | 58% | 0.581 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.2 | -55.6 | 178.2 | -73.4 | 169.7 | 0 | 0 | 0 | 111.7 | K157 C158 R163 N164 | K157-L161 WeakPolarHBondContact O-CB 3.44Å; K157-L161 VanDerWaalsContact O-CG 3.27Å; K157-L161 WeakPolarHBondContact O-CG 3.38Å; K157-L161 PolarHBondContact O-N 3.22Å; C158-L161 PolarHBondContact O-N 3.47Å; C158-L161 VanDerWaalsContact O-N 3.1Å; L161-R163 PolarHBondContact O-N 2.91Å; L161-N164 PolarHBondContact O-N 2.86Å |
| 162 | F | 78.5 | Confident | 66.4 | Low | 151 Ų | 151 | 97 Ų | 97 | 66% | 0.662 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.3 | -26.2 | -177.3 | -74.2 | -63 | 0 | 0 | 0 | 113.4 | C158 | C158-F162 HydrophobicContact CB-CD2 4.19Å; C158-F162 HydrophobicContact CB-CE2 4.02Å; C158-F162 WeakPolarHBondContact O-CD2 3.24Å; C158-F162 PolarHBondContact O-N 2.95Å |
| 163 | R | 67.7 | Low | 63.6 | Low | 104 Ų | 104 | 104.9 Ų | 104.9 | 39% | 0.392 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -89.8 | -18.5 | -180 | -68 | 175.8 | 67.8 | 177.6 | -1 | 113.8 | I159 L161 D165 | I159-R163 WeakPolarHBondContact O-CB 3.45Å; I159-R163 WeakPolarHBondContact O-CD 3.45Å; I159-R163 WeakPolarHBondContact O-CG 3.5Å; I159-R163 PolarHBondContact O-N 3.3Å; L161-R163 PolarHBondContact O-N 2.91Å; R163-D165 VanDerWaalsContact C-N 3.31Å |
| 164 | N | 58.5 | Low | 60.9 | Low | 101 Ų | 101 | 106.4 Ų | 106.4 | 54% | 0.54 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -73.9 | -24.8 | 173.6 | -78.2 | -27.5 | 0 | 0 | 0 | 112.1 | R160 L161 H166 C167 | R160-N164 VanDerWaalsContact O-CG 3.31Å; R160-N164 PolarHBondContact O-N 3.45Å; R160-N164 PolarHBondContact O-ND2 3.12Å; R160-N164 VanDerWaalsContact O-ND2 3.15Å; L161-N164 PolarHBondContact O-N 2.86Å; N164-H166 VanDerWaalsContact C-N 3.26Å; N164-H166 PolarHBondContact O-N 2.96Å; N164-C167 PolarHBondContact O-N 2.8Å |
| 165 | D | 52.1 | Low | 58.2 | Low | 131 Ų | 131 | 108.8 Ų | 108.8 | 70% | 0.701 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -9 | 179.1 | -75.4 | -21.3 | 0 | 0 | 0 | 114.5 | R163 | R163-D165 VanDerWaalsContact C-N 3.31Š|
| 166 | H | 46 | Very low | 55.9 | Low | 174 Ų | 174 | 110.4 Ų | 110.4 | 81% | 0.806 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 7.4 | 178.1 | -72.7 | 7.9 | 0 | 0 | 0 | 114.4 | N164 | N164-H166 VanDerWaalsContact C-N 3.26Å; N164-H166 PolarHBondContact O-N 2.96Å |
| 167 | C | 43 | Very low | 53.4 | Low | 122 Ų | 122 | 116.4 Ų | 116.4 | 82% | 0.824 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -117.5 | 14.4 | 174.6 | -70.6 | 0 | 0 | 0 | 0 | 113.6 | N164 | N164-C167 PolarHBondContact O-N 2.8Š|
| 168 | G | 37.6 | Very low | 50.9 | Low | 76 Ų | 76 | 117.3 Ų | 117.3 | 78% | 0.784 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -107.1 | 16.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 169 | G | 30.2 | Very low | 48.6 | Very low | 55 Ų | 55 | 118.2 Ų | 118.2 | 57% | 0.567 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -131.3 | 126.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 170 | H | 36.1 | Very low | 46.2 | Very low | 168 Ų | 168 | 124.4 Ų | 124.4 | 78% | 0.778 | 71% | 0.708 | S | S | * | * | trans | 91 | 66.7 | 172 | -44.5 | -66.5 | 0 | 0 | 0 | 118.3 | H172 | H170-H172 AromaticContact ND1-NE2 3.97Š| ||
| 171 | T | 34.7 | Very low | 44 | Very low | 143 Ų | 143 | 129 Ų | 129 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | trans | -96.4 | 100.7 | 137.5 | 44.1 | 0 | 0 | 0 | 0 | 108.4 | H173 | T171-H173 PolarHBondContact O-N 3.23Š| ||
| 172 | H | 41 | Very low | 41.7 | Very low | 162 Ų | 162 | 133 Ų | 133 | 75% | 0.75 | 75% | 0.75 | S | S | * | * | trans | -64.1 | 124.9 | 169 | -82.1 | -91.8 | 0 | 0 | 0 | 109.6 | H170 A174 | H170-H172 AromaticContact ND1-NE2 3.97Å; H172-A174 PolarHBondContact O-N 3.28Å | ||
| 173 | H | 30.6 | Very low | 39.7 | Very low | 180 Ų | 180 | 129.4 Ų | 129.4 | 83% | 0.833 | 76% | 0.757 | S | S | * | * | trans | -51.4 | 114.6 | 156.3 | -98.8 | -98.5 | 0 | 0 | 0 | 109.3 | T171 | T171-H173 PolarHBondContact O-N 3.23Š| ||
| 174 | A | 37.8 | Very low | 38.1 | Very low | 94 Ų | 94 | 134.1 Ų | 134.1 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | -125.5 | 94.2 | 155.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | H172 | H172-A174 PolarHBondContact O-N 3.28Š| ||
| 175 | V | 34 | Very low | 37 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 75% | 0.745 | 80% | 0.795 | S | S | * | * | trans | -75.1 | 117.4 | 165.2 | 171.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 176 | S | 39.4 | Very low | 36.1 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -153.2 | 98.1 | 158.1 | 60.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 177 | N | 36 | Very low | 35.7 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | trans | 43.2 | 121 | 138 | -75.9 | -12 | 0 | 0 | 0 | 122.8 | ||||
| 178 | V | 34.2 | Very low | 35.1 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | 67.6 | 114.2 | 124.9 | -174.3 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 179 | G | 36.9 | Very low | 34.9 | Very low | 75 Ų | 75 | 145.6 Ų | 145.6 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -178.3 | 88.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 180 | E | 30.9 | Very low | 34.9 | Very low | 179 Ų | 179 | 152.2 Ų | 152.2 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | trans | -53.5 | 131.8 | 168.7 | -81.5 | 176.5 | 110.4 | 0 | 0 | 111.6 | ||||
| 181 | N | 36.6 | Very low | 34.7 | Very low | 164 Ų | 164 | 150.7 Ų | 150.7 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | -154.4 | 130.3 | 129 | -134.1 | -17.3 | 0 | 0 | 0 | 112.7 | |||||
| 182 | K | 33.2 | Very low | 34.5 | Very low | 195 Ų | 195 | 151.8 Ų | 151.8 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | trans | -80.4 | 127.8 | 178.6 | -76.4 | 172.2 | 175.5 | 163.6 | 0 | 110 | ||||
| 183 | G | 37 | Very low | 34.2 | Very low | 77 Ų | 77 | 152.8 Ų | 152.8 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | -155.1 | 105 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 184 | K | 34.5 | Very low | 34.3 | Very low | 203 Ų | 203 | 149.4 Ų | 149.4 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -55.8 | 132.3 | 178 | -66.5 | 163.1 | 172.2 | 171.9 | 0 | 112 | ||||
| 185 | N | 36 | Very low | 34.1 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | -174.6 | 143.3 | 105.6 | -118.2 | -19.3 | 0 | 0 | 0 | 114 | |||||
| 186 | K | 32.3 | Very low | 34.2 | Very low | 194 Ų | 194 | 146.5 Ų | 146.5 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -58.6 | 133.5 | 174 | -73.9 | 167.6 | 167.4 | 172.9 | 0 | 112.2 | ||||
| 187 | K | 37.2 | Very low | 34.2 | Very low | 204 Ų | 204 | 150.7 Ų | 150.7 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | -164.1 | 102.8 | 126.4 | -105.8 | 174.3 | -176.5 | -178.3 | 0 | 108.8 | G189 | K187-G189 PolarHBondContact O-N 3.14Š| |||
| 188 | K | 30.5 | Very low | 34.8 | Very low | 224 Ų | 224 | 147.2 Ų | 147.2 | 97% | 0.974 | 80% | 0.804 | S | S | * | * | trans | -69.3 | 103.7 | 157 | -85.7 | -177.3 | 171 | -175.5 | 0 | 106.1 | ||||
| 189 | G | 33.7 | Very low | 35.7 | Very low | 64 Ų | 64 | 146.4 Ų | 146.4 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | trans | -122 | 111.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | K187 D191 | K187-G189 PolarHBondContact O-N 3.14Å; G189-D191 PolarHBondContact O-N 3.12Å; G189-D191 VanDerWaalsContact O-N 3.15Å | ||
| 190 | E | 30.3 | Very low | 36.8 | Very low | 193 Ų | 193 | 147.9 Ų | 147.9 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -63.1 | 104.4 | 169 | -71 | 167 | 138 | 0 | 0 | 108.5 | ||||
| 191 | D | 31.9 | Very low | 38.2 | Very low | 137 Ų | 137 | 142 Ų | 142 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -122.6 | 65.2 | 161.6 | -88.4 | -40.9 | 0 | 0 | 0 | 108.3 | G189 K193 | G189-D191 PolarHBondContact O-N 3.12Å; G189-D191 VanDerWaalsContact O-N 3.15Å; D191-K193 PolarHBondContact O-N 3.16Å | ||
| 192 | N | 31.2 | Very low | 39.8 | Very low | 166 Ų | 166 | 135.8 Ų | 135.8 | 89% | 0.888 | 73% | 0.727 | S | S | * | * | trans | -75.4 | 64.6 | 154.1 | -91.3 | -15.8 | 0 | 0 | 0 | 108.4 | S194 | N192-S194 VanDerWaalsContact C-N 3.27Å; N192-S194 PolarHBondContact O-N 3.45Å | ||
| 193 | K | 35.1 | Very low | 41.8 | Very low | 182 Ų | 182 | 128.8 Ų | 128.8 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | trans | -87.6 | 80.8 | 153.6 | -81.6 | -179 | -179.5 | 169.3 | 0 | 106.7 | D191 G195 | D191-K193 PolarHBondContact O-N 3.16Å; K193-G195 PolarHBondContact O-N 3Å | ||
| 194 | S | 31.9 | Very low | 43.9 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 77% | 0.769 | 68% | 0.679 | S | S | * | * | trans | -64.8 | 71.1 | 151.8 | 54.8 | 0 | 0 | 0 | 0 | 107.9 | N192 A196 | N192-S194 VanDerWaalsContact C-N 3.27Å; N192-S194 PolarHBondContact O-N 3.45Å; S194-A196 VanDerWaalsContact C-N 3.25Å; S194-A196 PolarHBondContact O-N 2.93Å | ||
| 195 | G | 32.5 | Very low | 46.4 | Very low | 61 Ų | 61 | 120.1 Ų | 120.1 | 63% | 0.629 | 64% | 0.638 | S | S | * | * | trans | -58.6 | 103.5 | 156 | 0 | 0 | 0 | 0 | 0 | 104.8 | K193 K197 | K193-G195 PolarHBondContact O-N 3Å; G195-K197 PolarHBondContact O-N 3.44Å | ||
| 196 | A | 37.1 | Very low | 48.8 | Very low | 94 Ų | 94 | 113.3 Ų | 113.3 | 78% | 0.777 | 60% | 0.602 | S | S | * | * | trans | -58.8 | 88.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | S194 T198 | S194-A196 VanDerWaalsContact C-N 3.25Å; S194-A196 PolarHBondContact O-N 2.93Å; A196-T198 VanDerWaalsContact C-N 3.27Å; A196-T198 PolarHBondContact O-N 2.61Å | ||
| 197 | K | 39.6 | Very low | 51.6 | Low | 194 Ų | 194 | 104.1 Ų | 104.1 | 84% | 0.843 | 56% | 0.562 | S | S | * | * | trans | -66.6 | 98.9 | 162.5 | -76.5 | -175 | 177.2 | 179.3 | 0 | 104.2 | G195 K199 | G195-K197 PolarHBondContact O-N 3.44Å; K197-K199 PolarHBondContact O-N 2.91Å | ||
| 198 | T | 48.1 | Very low | 54.2 | Low | 74 Ų | 74 | 99.3 Ų | 99.3 | 45% | 0.454 | 54% | 0.539 | S | S | . | . | trans | -44 | 116.3 | 167.9 | 8.9 | 0 | 0 | 0 | 0 | 106.9 | A196 D202 | A196-T198 VanDerWaalsContact C-N 3.27Å; A196-T198 PolarHBondContact O-N 2.61Å; T198-D202 HydrophobicContact CG2-CB 4.24Å | ||
| 199 | K | 53.7 | Low | 57.1 | Low | 125 Ų | 125 | 88.8 Ų | 88.8 | 54% | 0.543 | 49% | 0.494 | S | S | . | . | trans | -65.1 | 149.1 | -172.6 | -74.5 | -178.3 | 179.6 | 178.5 | 0 | 107.4 | K197 T201 D202 | K197-K199 PolarHBondContact O-N 2.91Å; K199-T201 VanDerWaalsContact CB-OG1 3.26Å; K199-T201 WeakPolarHBondContact CB-OG1 3.47Å; K199-T201 PolarHBondContact O-N 3.25Å; K199-D202 PolarHBondContact N-OD2 2.52Å; K199-D202 WeakPolarHBondContact O-CB 3.39Å; K199-D202 PolarHBondContact O-N 3.44Å | ||
| 200 | P | 58.6 | Low | 59.9 | Low | 107 Ų | 107 | 85.8 Ų | 85.8 | 70% | 0.695 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -54.1 | -16.1 | 175.3 | 20 | -31.5 | 0 | 0 | 0 | 113.6 | ||
| 201 | T | 62.1 | Low | 62.9 | Low | 55 Ų | 55 | 77.5 Ų | 77.5 | 34% | 0.337 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -72.8 | -35.2 | 172.6 | 50.9 | 0 | 0 | 0 | 0 | 113.8 | K199 K204 V205 | K199-T201 VanDerWaalsContact CB-OG1 3.26Å; K199-T201 WeakPolarHBondContact CB-OG1 3.47Å; K199-T201 PolarHBondContact O-N 3.25Å; T201-K204 PolarHBondContact O-N 2.92Å; T201-V205 PolarHBondContact O-N 3.47Å |
| 202 | D | 68.9 | Low | 65.7 | Low | 33 Ų | 33 | 73 Ų | 73 | 18% | 0.176 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.8 | -44.9 | -176.7 | -60 | -22.1 | 0 | 0 | 0 | 109.8 | R160 T198 K199 K204 V205 T206 | R160-D202 IonicContact CZ-OD1 3.05Å; R160-D202 IonicContact NH1-OD1 2.7Å; R160-D202 PolarHBondContact NH1-OD1 2.89Å; R160-D202 IonicContact NH1-OD2 3.5Å; T198-D202 HydrophobicContact CG2-CB 4.24Å; K199-D202 PolarHBondContact N-OD2 2.52Å; K199-D202 WeakPolarHBondContact O-CB 3.39Å; K199-D202 PolarHBondContact O-N 3.44Å; D202-K204 VanDerWaalsContact C-N 3.31Å; D202-K204 PolarHBondContact O-N 3.41Å; D202-V205 PolarHBondContact O-N 3.24Å; D202-T206 PolarHBondContact O-N 2.85Å |
| 203 | F | 75.4 | Confident | 68.5 | Low | 49 Ų | 49 | 65.2 Ų | 65.2 | 22% | 0.215 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -54.9 | -43.1 | 175 | -71.1 | -67.6 | 0 | 0 | 0 | 112.4 | V205 T206 G207 S261 D335 | F203-V205 VanDerWaalsContact C-N 3.32Å; F203-V205 PolarHBondContact O-N 3.45Å; F203-T206 PolarHBondContact O-N 3.4Å; F203-G207 PolarHBondContact O-N 3.35Å; F203-S261 CarbonylContact C-O 3.6Å; F203-S261 WeakPolarHBondContact O-CA 3.28Å; F203-S261 WeakPolarHBondContact O-CB 3.29Å; F203-S261 PolarHBondContact O-OG 2.98Å; F203-S261 VanDerWaalsContact O-OG 3.05Å; F203-D335 WeakPolarHBondContact CE1-OD2 3.43Å |
| 204 | K | 81.8 | Confident | 71.2 | Confident | 94 Ų | 94 | 56.6 Ų | 56.6 | 41% | 0.409 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.9 | -32.7 | 178.3 | -75.6 | -175.3 | 178.5 | 175.6 | 0 | 113.3 | T201 D202 G207 Y208 S261 | T201-K204 PolarHBondContact O-N 2.92Å; D202-K204 VanDerWaalsContact C-N 3.31Å; D202-K204 PolarHBondContact O-N 3.41Å; K204-G207 PolarHBondContact O-N 3.34Å; K204-Y208 WeakPolarHBondContact O-CD2 3.4Å; K204-Y208 PolarHBondContact O-N 2.84Å; K204-S261 PolarHBondContact N-O 3.05Å |
| 205 | V | 86.6 | Confident | 74.1 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.9 | -45.6 | 179.3 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | E156 I159 T201 D202 F203 G207 Y208 L209 | E156-V205 HydrophobicContact CG-CG1 3.96Å; I159-V205 HydrophobicContact CB-CG1 4.06Å; I159-V205 HydrophobicContact CB-CG2 4.46Å; I159-V205 HydrophobicContact CD1-CG1 4.17Å; I159-V205 HydrophobicContact CG2-CB 4.32Å; I159-V205 HydrophobicContact CG2-CG1 3.89Å; I159-V205 HydrophobicContact CG2-CG2 3.53Å; T201-V205 PolarHBondContact O-N 3.47Å; D202-V205 PolarHBondContact O-N 3.24Å; F203-V205 VanDerWaalsContact C-N 3.32Å; F203-V205 PolarHBondContact O-N 3.45Å; V205-G207 VanDerWaalsContact C-N 3.29Å; V205-G207 PolarHBondContact O-N 3.48Å; V205-Y208 PolarHBondContact O-N 3.44Å; V205-Y208 VanDerWaalsContact O-N 3.1Å; V205-L209 HydrophobicContact CG1-CD1 3.98Å; V205-L209 HydrophobicContact CG1-CG 4.41Å; V205-L209 PolarHBondContact O-N 3.47Å |
| 206 | T | 86.2 | Confident | 76.7 | Confident | 17 Ų | 17 | 53.3 Ų | 53.3 | 10% | 0.104 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -51.9 | -47.9 | 173.3 | -66.6 | 0 | 0 | 0 | 0 | 111.7 | D202 F203 Y208 L209 N210 I257 S331 | D202-T206 PolarHBondContact O-N 2.85Å; F203-T206 PolarHBondContact O-N 3.4Å; T206-Y208 VanDerWaalsContact C-N 3.32Å; T206-Y208 PolarHBondContact O-N 2.78Å; T206-L209 PolarHBondContact O-N 2.83Å; T206-N210 PolarHBondContact O-N 2.9Å; T206-I257 HydrophobicContact CG2-CG2 4.15Å; T206-S331 VanDerWaalsContact CG2-CB 3.46Å; T206-S331 PolarHBondContact OG1-OG 3.4Å |
| 207 | G | 91.7 | Very high | 79.4 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.4 | -37.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F203 K204 V205 L211 S261 | F203-G207 PolarHBondContact O-N 3.35Å; K204-G207 PolarHBondContact O-N 3.34Å; V205-G207 VanDerWaalsContact C-N 3.29Å; V205-G207 PolarHBondContact O-N 3.48Å; G207-L211 WeakPolarHBondContact O-CG 3.35Å; G207-L211 PolarHBondContact O-N 3.1Å; G207-S261 VanDerWaalsContact CA-OG 3.25Å; G207-S261 WeakPolarHBondContact CA-OG 3.46Å; G207-S261 PolarHBondContact N-OG 3.07Å; G207-S261 VanDerWaalsContact N-OG 3.07Å |
| 208 | Y | 91.9 | Very high | 81.9 | Confident | 103 Ų | 103 | 39.7 Ų | 39.7 | 40% | 0.404 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -72.9 | -35.9 | 176 | -72.8 | -62.5 | 0 | 0 | 0 | 113.3 | K204 V205 T206 N210 L211 A212 F263 | K204-Y208 WeakPolarHBondContact O-CD2 3.4Å; K204-Y208 PolarHBondContact O-N 2.84Å; V205-Y208 PolarHBondContact O-N 3.44Å; V205-Y208 VanDerWaalsContact O-N 3.1Å; T206-Y208 VanDerWaalsContact C-N 3.32Å; T206-Y208 PolarHBondContact O-N 2.78Å; Y208-N210 VanDerWaalsContact C-N 3.3Å; Y208-L211 HydrophobicContact CD1-CD1 4.23Å; Y208-L211 PolarHBondContact O-N 2.72Å; Y208-A212 PolarHBondContact O-N 3.38Å; Y208-A212 VanDerWaalsContact O-N 3.12Å; Y208-F263 HydrophobicContact CD2-CZ 4.44Å; Y208-F263 HydrophobicContact CE1-CE1 4.45Å; Y208-F263 HydrophobicContact CE1-CZ 4.14Å; Y208-F263 AromaticContact CE2-CZ 3.96Å; Y208-F263 HydrophobicContact CE2-CZ 3.96Å; Y208-F263 AromaticContact CZ-CZ 3.8Å |
| 209 | L | 90.9 | Very high | 84 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.9 | -38.1 | 174.3 | -69.4 | 163.2 | 0 | 0 | 0 | 111.1 | F152 V155 E156 V205 T206 L211 A212 A213 I327 | F152-L209 HydrophobicContact CD1-CB 4.49Å; F152-L209 HydrophobicContact CD1-CD2 4.26Å; F152-L209 WeakPolarHBondContact CE1-O 3.29Å; V155-L209 HydrophobicContact CB-CD2 3.96Å; V155-L209 HydrophobicContact CG1-CD2 3.59Å; E156-L209 HydrophobicContact CB-CD1 3.58Å; E156-L209 HydrophobicContact CB-CD2 4.49Å; E156-L209 HydrophobicContact CG-CD1 3.68Å; V205-L209 HydrophobicContact CG1-CD1 3.98Å; V205-L209 HydrophobicContact CG1-CG 4.41Å; V205-L209 PolarHBondContact O-N 3.47Å; T206-L209 PolarHBondContact O-N 2.83Å; L209-L211 VanDerWaalsContact C-N 3.34Å; L209-L211 PolarHBondContact O-N 3.45Å; L209-A212 WeakPolarHBondContact O-CB 3.23Å; L209-A212 PolarHBondContact O-N 3.43Å; L209-A212 VanDerWaalsContact O-N 3.14Å; L209-A213 PolarHBondContact O-N 3.44Å; L209-I327 HydrophobicContact CB-CD1 3.51Å |
| 210 | N | 92.2 | Very high | 85.7 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.3 | -49 | 174.3 | -159.8 | 81.9 | 0 | 0 | 0 | 111.2 | T206 Y208 A212 A213 D214 D254 I257 I327 | T206-N210 PolarHBondContact O-N 2.9Å; Y208-N210 VanDerWaalsContact C-N 3.3Å; N210-A212 VanDerWaalsContact C-N 3.25Å; N210-A212 PolarHBondContact O-N 2.95Å; N210-A213 WeakPolarHBondContact O-CB 3.43Å; N210-A213 PolarHBondContact O-N 2.83Å; N210-A213 VanDerWaalsContact O-N 3.12Å; N210-D214 VanDerWaalsContact O-CB 3.29Å; N210-D214 WeakPolarHBondContact O-CB 3.12Å; N210-D214 PolarHBondContact O-N 3.47Å; N210-D254 VanDerWaalsContact ND2-CB 3.34Å; N210-D254 WeakPolarHBondContact ND2-CB 3.22Å; N210-D254 PolarHBondContact ND2-OD1 3.38Å; N210-D254 PolarHBondContact ND2-OD2 2.99Å; N210-D254 PolarHBondContact OD1-OD1 3.07Å; N210-I257 HydrophobicContact CB-CG2 3.9Å; N210-I257 WeakPolarHBondContact OD1-CD1 3.27Å; N210-I327 WeakPolarHBondContact OD1-CG2 3.27Å |
| 211 | L | 92.9 | Very high | 87.3 | Confident | 19 Ų | 19 | 27.3 Ų | 27.3 | 10% | 0.099 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.1 | -33.8 | 176.4 | -67.6 | 168.1 | 0 | 0 | 0 | 113.1 | G207 Y208 L209 F215 L258 L271 T275 | G207-L211 WeakPolarHBondContact O-CG 3.35Å; G207-L211 PolarHBondContact O-N 3.1Å; Y208-L211 HydrophobicContact CD1-CD1 4.23Å; Y208-L211 PolarHBondContact O-N 2.72Å; L209-L211 VanDerWaalsContact C-N 3.34Å; L209-L211 PolarHBondContact O-N 3.45Å; L211-F215 VanDerWaalsContact O-CB 3.24Å; L211-F215 WeakPolarHBondContact O-CB 3.35Å; L211-F215 PolarHBondContact O-N 3.42Å; L211-L258 HydrophobicContact CD1-CD2 4.07Å; L211-L258 HydrophobicContact CD2-CD1 4.01Å; L211-L258 HydrophobicContact CD2-CD2 4.32Å; L211-L258 HydrophobicContact CG-CD2 4.04Å; L211-L271 HydrophobicContact CD1-CB 3.88Å; L211-L271 HydrophobicContact CD1-CD1 4.04Å; L211-L271 HydrophobicContact CD1-CD2 4.1Å; L211-L271 HydrophobicContact CD1-CG 4.23Å; L211-L271 HydrophobicContact CD2-CB 3.85Å; L211-T275 HydrophobicContact CB-CG2 4.21Å; L211-T275 HydrophobicContact CD2-CG2 3.76Å; L211-T275 WeakPolarHBondContact O-CG2 3.17Å |
| 212 | A | 90.7 | Very high | 88.8 | Confident | 44 Ų | 44 | 24.7 Ų | 24.7 | 36% | 0.364 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -71.6 | -38.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | F152 Y208 L209 N210 T216 | F152-A212 HydrophobicContact CZ-CB 4.45Å; Y208-A212 PolarHBondContact O-N 3.38Å; Y208-A212 VanDerWaalsContact O-N 3.12Å; L209-A212 WeakPolarHBondContact O-CB 3.23Å; L209-A212 PolarHBondContact O-N 3.43Å; L209-A212 VanDerWaalsContact O-N 3.14Å; N210-A212 VanDerWaalsContact C-N 3.25Å; N210-A212 PolarHBondContact O-N 2.95Å; A212-T216 PolarHBondContact O-N 3.05Å; A212-T216 PolarHBondContact O-OG1 3.33Å |
| 213 | A | 90.7 | Very high | 89.8 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 2% | 0.017 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.5 | -51.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | F152 L209 N210 F215 T216 H217 F324 I327 | F152-A213 HydrophobicContact CE1-CB 3.62Å; F152-A213 HydrophobicContact CZ-CB 3.79Å; L209-A213 PolarHBondContact O-N 3.44Å; N210-A213 WeakPolarHBondContact O-CB 3.43Å; N210-A213 PolarHBondContact O-N 2.83Å; N210-A213 VanDerWaalsContact O-N 3.12Å; A213-F215 PolarHBondContact O-N 3.32Å; A213-T216 WeakPolarHBondContact O-CB 3.24Å; A213-T216 PolarHBondContact O-N 2.91Å; A213-H217 PolarHBondContact O-N 3.22Å; A213-F324 HydrophobicContact CB-CD1 3.71Å; A213-F324 HydrophobicContact CB-CE1 3.66Å; A213-I327 HydrophobicContact CB-CG1 4.38Å |
| 214 | D | 92 | Very high | 90.5 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.4 | -46.4 | 179.3 | 179.4 | 21 | 0 | 0 | 0 | 111.6 | N210 T216 H217 N218 D254 T275 | N210-D214 VanDerWaalsContact O-CB 3.29Å; N210-D214 WeakPolarHBondContact O-CB 3.12Å; N210-D214 PolarHBondContact O-N 3.47Å; D214-T216 VanDerWaalsContact C-N 3.26Å; D214-T216 PolarHBondContact O-N 2.96Å; D214-H217 PolarHBondContact O-N 3.49Å; D214-H217 VanDerWaalsContact O-N 3.17Å; D214-N218 VanDerWaalsContact O-CB 3.3Å; D214-N218 WeakPolarHBondContact O-CB 3.31Å; D214-N218 PolarHBondContact O-N 2.93Å; D214-N218 PolarHBondContact OD1-ND2 2.81Å; D214-D254 WeakPolarHBondContact CB-OD2 3.4Å; D214-T275 HydrophobicContact CB-CG2 4.2Å; D214-T275 VanDerWaalsContact OD2-CB 3.24Å; D214-T275 WeakPolarHBondContact OD2-CB 3.45Å; D214-T275 WeakPolarHBondContact OD2-CG2 3.31Å; D214-T275 PolarHBondContact OD2-OG1 3.36Å |
| 215 | F | 92.6 | Very high | 91.1 | Very high | 73 Ų | 73 | 19.1 Ų | 19.1 | 32% | 0.32 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -55.4 | -40.3 | 172.9 | 175.7 | -87.2 | 0 | 0 | 0 | 113.2 | L211 A213 F219 T275 V277 G278 L281 | L211-F215 VanDerWaalsContact O-CB 3.24Å; L211-F215 WeakPolarHBondContact O-CB 3.35Å; L211-F215 PolarHBondContact O-N 3.42Å; A213-F215 PolarHBondContact O-N 3.32Å; F215-F219 WeakPolarHBondContact O-CB 3.17Å; F215-F219 PolarHBondContact O-N 3.07Å; F215-T275 HydrophobicContact CB-CG2 4.24Å; F215-V277 HydrophobicContact CE2-CB 4.32Å; F215-V277 HydrophobicContact CE2-CG1 4.37Å; F215-G278 VanDerWaalsContact CE2-CA 3.49Å; F215-G278 VanDerWaalsContact CE2-N 3.34Å; F215-L281 HydrophobicContact CE2-CD1 4.49Å; F215-L281 HydrophobicContact CZ-CD1 3.99Å |
| 216 | T | 87.9 | Confident | 91.2 | Very high | 29 Ų | 29 | 19 Ų | 19 | 18% | 0.178 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -73.1 | -36.3 | -178.3 | -48.8 | 0 | 0 | 0 | 0 | 111 | A212 A213 D214 F219 T220 I316 T320 | A212-T216 PolarHBondContact O-N 3.05Å; A212-T216 PolarHBondContact O-OG1 3.33Å; A213-T216 WeakPolarHBondContact O-CB 3.24Å; A213-T216 PolarHBondContact O-N 2.91Å; D214-T216 VanDerWaalsContact C-N 3.26Å; D214-T216 PolarHBondContact O-N 2.96Å; T216-F219 WeakPolarHBondContact O-CB 3.31Å; T216-F219 PolarHBondContact O-N 3.1Å; T216-T220 PolarHBondContact O-N 3.29Å; T216-T220 VanDerWaalsContact O-N 3.11Å; T216-I316 HydrophobicContact CG2-CG2 4.44Å; T216-T320 HydrophobicContact CG2-CG2 4.39Å; T216-T320 WeakPolarHBondContact CG2-OG1 3.33Å |
| 217 | H | 91.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.1 | -49.1 | 174.4 | -176.1 | 69.5 | 0 | 0 | 0 | 112.1 | D104 A213 D214 F219 T220 D221 E247 T320 F324 | D104-H217 IonicContact OD1-CE1 2.81Å; D104-H217 IonicContact OD2-CE1 3.11Å; D104-H217 PolarHBondContact OD2-CE1 3.13Å; D104-H217 IonicContact OD2-ND1 2.8Å; D104-H217 IonicContact OD2-NE2 2.64Å; A213-H217 PolarHBondContact O-N 3.22Å; D214-H217 PolarHBondContact O-N 3.49Å; D214-H217 VanDerWaalsContact O-N 3.17Å; H217-F219 PolarHBondContact O-N 3.03Å; H217-F219 VanDerWaalsContact O-N 3.15Å; H217-T220 WeakPolarHBondContact CA-OG1 3.3Å; H217-T220 CarbonylContact O-C 3.51Å; H217-T220 WeakPolarHBondContact O-CA 3.13Å; H217-T220 PolarHBondContact O-N 2.93Å; H217-T220 PolarHBondContact O-OG1 3.42Å; H217-D221 IonicContact CD2-OD2 3.94Å; H217-D221 IonicContact CE1-OD1 3.84Å; H217-D221 IonicContact NE2-OD2 3.32Å; H217-D221 PolarHBondContact O-N 3.15Å; H217-E247 IonicContact CD2-OE1 3.65Å; H217-E247 PolarHBondContact CD2-OE1 2.97Å; H217-E247 IonicContact NE2-OE1 3.86Å; H217-T320 HydrophobicContact CB-CG2 3.94Å; H217-F324 HydrophobicContact CB-CE1 4.08Å; H217-F324 HydrophobicContact CB-CE2 3.92Å; H217-F324 HydrophobicContact CB-CZ 3.29Å; H217-F324 AromaticContact CD2-CZ 3.85Å; H217-F324 AromaticContact CE1-CE2 3.79Å; H217-F324 AromaticContact CG-CE2 3.57Å; H217-F324 AromaticContact CG-CZ 3.36Å; H217-F324 AromaticContact ND1-CE2 3.39Å; H217-F324 WeakPolarHBondContact ND1-CE2 3.19Å; H217-F324 AromaticContact ND1-CZ 3.72Å |
| 218 | N | 93.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -53 | -40.3 | 171.6 | -97.5 | -67 | 0 | 0 | 0 | 111 | D214 T220 D221 G222 A279 | D214-N218 VanDerWaalsContact O-CB 3.3Å; D214-N218 WeakPolarHBondContact O-CB 3.31Å; D214-N218 PolarHBondContact O-N 2.93Å; D214-N218 PolarHBondContact OD1-ND2 2.81Å; N218-T220 PolarHBondContact O-N 3.49Å; N218-D221 PolarHBondContact O-N 3.13Å; N218-G222 PolarHBondContact O-N 3.43Å; N218-A279 HydrophobicContact CB-CB 4.19Å; N218-A279 WeakPolarHBondContact O-CA 3.39Å; N218-A279 WeakPolarHBondContact O-CB 3.42Å; N218-A279 PolarHBondContact O-N 3.29Å |
| 219 | F | 91.7 | Very high | 90.9 | Very high | 33 Ų | 33 | 15.6 Ų | 15.6 | 15% | 0.145 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.7 | -42.1 | 173.3 | 177.2 | -91.6 | 0 | 0 | 0 | 113.4 | F215 T216 H217 G222 L223 G278 L281 G282 V285 I316 | F215-F219 WeakPolarHBondContact O-CB 3.17Å; F215-F219 PolarHBondContact O-N 3.07Å; T216-F219 WeakPolarHBondContact O-CB 3.31Å; T216-F219 PolarHBondContact O-N 3.1Å; H217-F219 PolarHBondContact O-N 3.03Å; H217-F219 VanDerWaalsContact O-N 3.15Å; F219-G222 PolarHBondContact O-N 3.39Å; F219-L223 HydrophobicContact CD1-CD1 3.83Å; F219-L223 HydrophobicContact CE1-CD1 3.31Å; F219-L223 HydrophobicContact CE1-CG 4.15Å; F219-L223 HydrophobicContact CZ-CD1 3.88Å; F219-L223 HydrophobicContact CZ-CG 4.34Å; F219-L223 PolarHBondContact O-N 3.31Å; F219-L223 VanDerWaalsContact O-N 3.08Å; F219-G278 VanDerWaalsContact CA-C 3.47Å; F219-G278 VanDerWaalsContact CA-O 3.3Å; F219-G278 WeakPolarHBondContact CA-O 3.47Å; F219-G278 WeakPolarHBondContact CD2-O 3.13Å; F219-L281 HydrophobicContact CD2-CB 4.01Å; F219-L281 HydrophobicContact CE2-CB 4.16Å; F219-G282 VanDerWaalsContact CD2-CA 3.48Å; F219-G282 VanDerWaalsContact CD2-N 3.33Å; F219-G282 VanDerWaalsContact CE2-CA 3.46Å; F219-G282 WeakPolarHBondContact O-CA 3.2Å; F219-V285 HydrophobicContact CE2-CG2 4.35Å; F219-I316 HydrophobicContact CD1-CG2 4.35Å; F219-I316 HydrophobicContact CE1-CD1 3.87Å |
| 220 | T | 89.9 | Confident | 90.6 | Very high | 6 Ų | 6 | 18.6 Ų | 18.6 | 4% | 0.037 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68 | -35.7 | 175.9 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | T216 H217 N218 L223 A224 I316 L317 | T216-T220 PolarHBondContact O-N 3.29Å; T216-T220 VanDerWaalsContact O-N 3.11Å; H217-T220 WeakPolarHBondContact CA-OG1 3.3Å; H217-T220 CarbonylContact O-C 3.51Å; H217-T220 WeakPolarHBondContact O-CA 3.13Å; H217-T220 PolarHBondContact O-N 2.93Å; H217-T220 PolarHBondContact O-OG1 3.42Å; N218-T220 PolarHBondContact O-N 3.49Å; T220-L223 WeakPolarHBondContact O-CB 3.47Å; T220-L223 PolarHBondContact O-N 3.25Å; T220-A224 PolarHBondContact O-N 3.15Å; T220-I316 HydrophobicContact CG2-CB 4.47Å; T220-I316 HydrophobicContact CG2-CG2 3.51Å; T220-L317 HydrophobicContact CG2-CD2 3.74Å |
| 221 | D | 92.3 | Very high | 90 | Very high | 7 Ų | 7 | 24 Ų | 24 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.2 | -41.8 | 174.9 | -65.9 | -4.9 | 0 | 0 | 0 | 111.5 | H217 N218 L223 A224 I225 V243 H246 | H217-D221 IonicContact CD2-OD2 3.94Å; H217-D221 IonicContact CE1-OD1 3.84Å; H217-D221 IonicContact NE2-OD2 3.32Å; H217-D221 PolarHBondContact O-N 3.15Å; N218-D221 PolarHBondContact O-N 3.13Å; D221-L223 VanDerWaalsContact C-N 3.3Å; D221-L223 PolarHBondContact O-N 3.47Å; D221-A224 PolarHBondContact O-N 2.89Å; D221-I225 WeakPolarHBondContact O-CB 3.4Å; D221-I225 WeakPolarHBondContact O-CG1 3.41Å; D221-I225 PolarHBondContact O-N 3.46Å; D221-V243 HydrophobicContact CB-CG1 3.92Å; D221-V243 HydrophobicContact CB-CG2 4.44Å; D221-H246 IonicContact OD1-NE2 3.7Å; D221-H246 IonicContact OD2-NE2 2.81Å |
| 222 | G | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.8 | -46.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N218 F219 G226 A279 S283 | N218-G222 PolarHBondContact O-N 3.43Å; F219-G222 PolarHBondContact O-N 3.39Å; G222-G226 PolarHBondContact O-N 3.46Å; G222-A279 VanDerWaalsContact CA-O 3.29Å; G222-A279 WeakPolarHBondContact CA-O 3.45Å; G222-S283 WeakPolarHBondContact O-CA 3.41Å; G222-S283 VanDerWaalsContact O-CB 3.31Å; G222-S283 WeakPolarHBondContact O-CB 3.29Å; G222-S283 PolarHBondContact O-N 3.11Å |
| 223 | L | 90.6 | Very high | 89.6 | Confident | 14 Ų | 14 | 26.5 Ų | 26.5 | 7% | 0.073 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.9 | -45.5 | 175.6 | -77 | 165.8 | 0 | 0 | 0 | 111.7 | F219 T220 D221 G226 G227 G282 V285 S286 V307 V312 | F219-L223 HydrophobicContact CD1-CD1 3.83Å; F219-L223 HydrophobicContact CE1-CD1 3.31Å; F219-L223 HydrophobicContact CE1-CG 4.15Å; F219-L223 HydrophobicContact CZ-CD1 3.88Å; F219-L223 HydrophobicContact CZ-CG 4.34Å; F219-L223 PolarHBondContact O-N 3.31Å; F219-L223 VanDerWaalsContact O-N 3.08Å; T220-L223 WeakPolarHBondContact O-CB 3.47Å; T220-L223 PolarHBondContact O-N 3.25Å; D221-L223 VanDerWaalsContact C-N 3.3Å; D221-L223 PolarHBondContact O-N 3.47Å; L223-G226 PolarHBondContact O-N 2.85Å; L223-G227 PolarHBondContact O-N 3.17Å; L223-G282 WeakPolarHBondContact CD2-O 3.41Å; L223-V285 HydrophobicContact CD2-CB 4.11Å; L223-V285 HydrophobicContact CD2-CG1 3.87Å; L223-S286 PolarHBondContact O-OG 3.03Å; L223-V307 HydrophobicContact CD2-CG1 4.33Å; L223-V312 HydrophobicContact CD1-CB 4.31Å; L223-V312 HydrophobicContact CD1-CG1 3.68Å; L223-V312 HydrophobicContact CD1-CG2 3.64Å; L223-V312 HydrophobicContact CD2-CG2 4.34Å |
| 224 | A | 90 | Very high | 89.6 | Confident | 44 Ų | 44 | 32.8 Ų | 32.8 | 36% | 0.364 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T220 D221 G227 S228 T239 | T220-A224 PolarHBondContact O-N 3.15Å; D221-A224 PolarHBondContact O-N 2.89Å; A224-G227 PolarHBondContact O-N 3.36Å; A224-S228 WeakPolarHBondContact O-CB 3.47Å; A224-S228 PolarHBondContact O-N 3.44Å; A224-S228 PolarHBondContact O-OG 3.02Å; A224-T239 HydrophobicContact CB-CG2 4.35Å |
| 225 | I | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.4 | -50.9 | 176.1 | -70.3 | 172.5 | 0 | 0 | 0 | 110 | V62 A65 I69 D221 G227 S228 F229 T239 V243 | V62-I225 HydrophobicContact CG1-CG2 4.45Å; A65-I225 HydrophobicContact CB-CG2 3.9Å; I69-I225 HydrophobicContact CD1-CD1 3.69Å; I69-I225 HydrophobicContact CG2-CD1 4.41Å; D221-I225 WeakPolarHBondContact O-CB 3.4Å; D221-I225 WeakPolarHBondContact O-CG1 3.41Å; D221-I225 PolarHBondContact O-N 3.46Å; I225-G227 VanDerWaalsContact C-N 3.33Å; I225-G227 PolarHBondContact O-N 3.31Å; I225-S228 PolarHBondContact O-N 3.45Å; I225-F229 HydrophobicContact CG2-CD2 3.8Å; I225-F229 HydrophobicContact CG2-CE2 3.78Å; I225-F229 VanDerWaalsContact O-CD2 3.26Å; I225-F229 WeakPolarHBondContact O-CD2 3.37Å; I225-F229 PolarHBondContact O-N 2.68Å; I225-T239 HydrophobicContact CG1-CG2 4.29Å; I225-V243 HydrophobicContact CD1-CB 4.32Å; I225-V243 HydrophobicContact CD1-CG1 4.15Å; I225-V243 HydrophobicContact CD1-CG2 4.37Å; I225-V243 HydrophobicContact CG1-CG2 4.25Å |
| 226 | G | 90.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.3 | -45.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G222 L223 S228 F229 L230 S286 | G222-G226 PolarHBondContact O-N 3.46Å; L223-G226 PolarHBondContact O-N 2.85Å; G226-S228 PolarHBondContact O-N 2.79Å; G226-F229 PolarHBondContact O-N 3.02Å; G226-L230 WeakPolarHBondContact O-CG 3.49Å; G226-L230 PolarHBondContact O-N 3.31Å; G226-S286 VanDerWaalsContact C-OG 3.22Å |
| 227 | G | 84.1 | Confident | 89.5 | Confident | 25 Ų | 25 | 35.3 Ų | 35.3 | 26% | 0.258 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.4 | -39.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L223 A224 I225 F229 L230 V231 S286 | L223-G227 PolarHBondContact O-N 3.17Å; A224-G227 PolarHBondContact O-N 3.36Å; I225-G227 VanDerWaalsContact C-N 3.33Å; I225-G227 PolarHBondContact O-N 3.31Å; G227-F229 PolarHBondContact O-N 3.44Å; G227-L230 WeakPolarHBondContact O-CB 3.42Å; G227-L230 PolarHBondContact O-N 3Å; G227-V231 PolarHBondContact O-N 2.91Å; G227-V231 VanDerWaalsContact O-N 3.16Å; G227-S286 WeakPolarHBondContact CA-OG 3.43Å; G227-S286 PolarHBondContact N-OG 2.96Å |
| 228 | S | 87.5 | Confident | 89.5 | Confident | 18 Ų | 18 | 40 Ų | 40 | 13% | 0.126 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.4 | -39.8 | 179 | -66.4 | 0 | 0 | 0 | 0 | 112.3 | A224 I225 G226 L230 V231 S232 G236 T239 | A224-S228 WeakPolarHBondContact O-CB 3.47Å; A224-S228 PolarHBondContact O-N 3.44Å; A224-S228 PolarHBondContact O-OG 3.02Å; I225-S228 PolarHBondContact O-N 3.45Å; G226-S228 PolarHBondContact O-N 2.79Å; S228-L230 VanDerWaalsContact C-N 3.3Å; S228-L230 PolarHBondContact O-N 3.12Å; S228-V231 WeakPolarHBondContact O-CB 3.41Å; S228-V231 PolarHBondContact O-N 3.34Å; S228-V231 VanDerWaalsContact O-N 3.17Å; S228-S232 PolarHBondContact O-N 2.81Å; S228-G236 PolarHBondContact O-N 2.84Å; S228-T239 VanDerWaalsContact CB-OG1 3.23Å; S228-T239 WeakPolarHBondContact CB-OG1 3.38Å; S228-T239 WeakPolarHBondContact OG-CB 3.39Å; S228-T239 WeakPolarHBondContact OG-CG2 3.25Å; S228-T239 PolarHBondContact OG-OG1 3.1Å |
| 229 | F | 90.3 | Very high | 89.4 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.7 | -29.9 | 174.8 | -85.2 | -59.9 | 0 | 0 | 0 | 113.2 | L58 V62 A65 I225 G226 G227 V231 R233 G236 F237 | L58-F229 HydrophobicContact CD1-CB 3.78Å; V62-F229 HydrophobicContact CB-CD2 4.42Å; V62-F229 HydrophobicContact CG2-CB 3.61Å; V62-F229 HydrophobicContact CG2-CD2 3.52Å; V62-F229 HydrophobicContact CG2-CE2 4.45Å; V62-F229 HydrophobicContact CG2-CG 3.73Å; A65-F229 HydrophobicContact CB-CE2 3.86Å; A65-F229 HydrophobicContact CB-CZ 4.47Å; I225-F229 HydrophobicContact CG2-CD2 3.8Å; I225-F229 HydrophobicContact CG2-CE2 3.78Å; I225-F229 VanDerWaalsContact O-CD2 3.26Å; I225-F229 WeakPolarHBondContact O-CD2 3.37Å; I225-F229 PolarHBondContact O-N 2.68Å; G226-F229 PolarHBondContact O-N 3.02Å; G227-F229 PolarHBondContact O-N 3.44Å; F229-V231 VanDerWaalsContact C-N 3.31Å; F229-R233 HydrophobicContact CE1-CG 4.45Å; F229-R233 WeakPolarHBondContact CE1-O 3.26Å; F229-G236 VanDerWaalsContact CE1-C 3.42Å; F229-G236 VanDerWaalsContact CE1-CA 3.46Å; F229-G236 WeakPolarHBondContact CE2-O 3.35Å; F229-G236 WeakPolarHBondContact CZ-O 3.41Å; F229-F237 HydrophobicContact CE1-CD1 4.25Å; F229-F237 HydrophobicContact CE1-CD2 4.34Å; F229-F237 HydrophobicContact CE1-CG 4.14Å; F229-F237 AromaticContact CZ-CD1 3.89Å; F229-F237 HydrophobicContact CZ-CD1 3.89Å; F229-F237 HydrophobicContact CZ-CE1 4.32Å; F229-F237 HydrophobicContact CZ-CG 4.15Å |
| 230 | L | 85.2 | Confident | 89.6 | Confident | 66 Ų | 66 | 40.1 Ų | 40.1 | 35% | 0.346 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.8 | -28.9 | 171.6 | -70.4 | 162.5 | 0 | 0 | 0 | 112.8 | L58 G226 G227 S228 L287 A290 V292 | L58-L230 HydrophobicContact CD2-CD2 3.71Å; L58-L230 HydrophobicContact CD2-CG 4.42Å; G226-L230 WeakPolarHBondContact O-CG 3.49Å; G226-L230 PolarHBondContact O-N 3.31Å; G227-L230 WeakPolarHBondContact O-CB 3.42Å; G227-L230 PolarHBondContact O-N 3Å; S228-L230 VanDerWaalsContact C-N 3.3Å; S228-L230 PolarHBondContact O-N 3.12Å; L230-L287 HydrophobicContact CD1-CD2 4.2Å; L230-L287 HydrophobicContact CD2-CD2 4.1Å; L230-L287 HydrophobicContact CG-CD2 3.98Å; L230-A290 HydrophobicContact CD1-CB 3.33Å; L230-A290 HydrophobicContact CD2-CB 3.49Å; L230-A290 VanDerWaalsContact CD2-CB 3.49Å; L230-A290 HydrophobicContact CG-CB 4.04Å; L230-V292 HydrophobicContact CD2-CG2 3.58Å |
| 231 | V | 79.7 | Confident | 89.8 | Confident | 113 Ų | 113 | 44.8 Ų | 44.8 | 69% | 0.685 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -72.8 | -57.5 | 173.1 | 175.5 | 0 | 0 | 0 | 0 | 110.3 | G227 S228 F229 V235 | G227-V231 PolarHBondContact O-N 2.91Å; G227-V231 VanDerWaalsContact O-N 3.16Å; S228-V231 WeakPolarHBondContact O-CB 3.41Å; S228-V231 PolarHBondContact O-N 3.34Å; S228-V231 VanDerWaalsContact O-N 3.17Å; F229-V231 VanDerWaalsContact C-N 3.31Å; V231-V235 HydrophobicContact CG1-CG2 4.32Å |
| 232 | S | 85.3 | Confident | 89.7 | Confident | 45 Ų | 45 | 44.6 Ų | 44.6 | 32% | 0.315 | 25% | 0.247 | S | C | . | . | trans | -165.6 | 160.6 | 171.4 | 73.2 | 0 | 0 | 0 | 0 | 111.4 | S228 N234 V235 G236 | S228-S232 PolarHBondContact O-N 2.81Å; S232-N234 VanDerWaalsContact C-N 3.32Å; S232-N234 PolarHBondContact O-N 2.96Å; S232-V235 PolarHBondContact O-N 3.46Å; S232-V235 WeakPolarHBondContact OG-CB 3.49Å; S232-V235 WeakPolarHBondContact OG-CG2 3.21Å; S232-V235 PolarHBondContact OG-N 3.34Å; S232-G236 PolarHBondContact O-N 2.9Å | ||
| 233 | R | 90.7 | Very high | 89.7 | Confident | 72 Ų | 72 | 44.8 Ų | 44.8 | 27% | 0.272 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.9 | -41.5 | 176.9 | -158.8 | 69.5 | 170.1 | 103.1 | 9.2 | 113.4 | E61 F229 G236 F237 | E61-R233 VanDerWaalsContact CB-CZ 3.42Å; E61-R233 VanDerWaalsContact CB-NH1 3.35Å; E61-R233 IonicContact OE1-CZ 3.44Å; E61-R233 IonicContact OE1-NE 3.76Å; E61-R233 PolarHBondContact OE1-NE 2.95Å; E61-R233 IonicContact OE1-NH2 3.66Å; E61-R233 PolarHBondContact OE1-NH2 3.36Å; E61-R233 VanDerWaalsContact OE2-CD 3.28Å; E61-R233 WeakPolarHBondContact OE2-CD 3.35Å; E61-R233 IonicContact OE2-CZ 3.68Å; E61-R233 IonicContact OE2-NE 3.82Å; E61-R233 PolarHBondContact OE2-NE 3.11Å; E61-R233 IonicContact OE2-NH1 3.99Å; E61-R233 IonicContact OE2-NH2 3.87Å; E61-R233 PolarHBondContact OE2-NH2 3.4Å; F229-R233 HydrophobicContact CE1-CG 4.45Å; F229-R233 WeakPolarHBondContact CE1-O 3.26Å; R233-G236 PolarHBondContact O-N 2.8Å; R233-F237 HydrophobicContact CG-CD2 3.96Å; R233-F237 HydrophobicContact CG-CE2 3.62Å; R233-F237 VanDerWaalsContact CZ-CE2 3.45Å; R233-F237 WeakPolarHBondContact O-CD2 3.43Å; R233-F237 PolarHBondContact O-N 3.44Å |
| 234 | N | 90.7 | Very high | 89.9 | Confident | 133 Ų | 133 | 45.5 Ų | 45.5 | 71% | 0.711 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -65.9 | -43.7 | 179.2 | -72 | -8 | 0 | 0 | 0 | 111.7 | S232 F237 L238 | S232-N234 VanDerWaalsContact C-N 3.32Å; S232-N234 PolarHBondContact O-N 2.96Å; N234-F237 PolarHBondContact O-N 3.33Å; N234-L238 WeakPolarHBondContact O-CB 3.36Å; N234-L238 PolarHBondContact O-N 3.36Å |
| 235 | V | 85.8 | Confident | 89.9 | Confident | 57 Ų | 57 | 46.2 Ų | 46.2 | 35% | 0.345 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.9 | -45.6 | 177.7 | 176.3 | 0 | 0 | 0 | 0 | 109.8 | V231 S232 F237 L238 T239 | V231-V235 HydrophobicContact CG1-CG2 4.32Å; S232-V235 PolarHBondContact O-N 3.46Å; S232-V235 WeakPolarHBondContact OG-CB 3.49Å; S232-V235 WeakPolarHBondContact OG-CG2 3.21Å; S232-V235 PolarHBondContact OG-N 3.34Å; V235-F237 PolarHBondContact O-N 3.49Å; V235-L238 PolarHBondContact O-N 2.99Å; V235-T239 WeakPolarHBondContact O-CB 3.24Å; V235-T239 PolarHBondContact O-N 3.12Å; V235-T239 PolarHBondContact O-OG1 2.88Å |
| 236 | G | 90.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.7 | -41.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S228 F229 S232 R233 T240 | S228-G236 PolarHBondContact O-N 2.84Å; F229-G236 VanDerWaalsContact CE1-C 3.42Å; F229-G236 VanDerWaalsContact CE1-CA 3.46Å; F229-G236 WeakPolarHBondContact CE2-O 3.35Å; F229-G236 WeakPolarHBondContact CZ-O 3.41Å; S232-G236 PolarHBondContact O-N 2.9Å; R233-G236 PolarHBondContact O-N 2.8Å; G236-T240 WeakPolarHBondContact O-CB 3.34Å; G236-T240 PolarHBondContact O-N 2.94Å; G236-T240 PolarHBondContact O-OG1 3.34Å |
| 237 | F | 94.4 | Very high | 90 | Very high | 99 Ų | 99 | 46.3 Ų | 46.3 | 43% | 0.434 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67 | -39.7 | 175.7 | -78.7 | -54.5 | 0 | 0 | 0 | 112.7 | F229 R233 N234 V235 T240 F241 | F229-F237 HydrophobicContact CE1-CD1 4.25Å; F229-F237 HydrophobicContact CE1-CD2 4.34Å; F229-F237 HydrophobicContact CE1-CG 4.14Å; F229-F237 AromaticContact CZ-CD1 3.89Å; F229-F237 HydrophobicContact CZ-CD1 3.89Å; F229-F237 HydrophobicContact CZ-CE1 4.32Å; F229-F237 HydrophobicContact CZ-CG 4.15Å; R233-F237 HydrophobicContact CG-CD2 3.96Å; R233-F237 HydrophobicContact CG-CE2 3.62Å; R233-F237 VanDerWaalsContact CZ-CE2 3.45Å; R233-F237 WeakPolarHBondContact O-CD2 3.43Å; R233-F237 PolarHBondContact O-N 3.44Å; N234-F237 PolarHBondContact O-N 3.33Å; V235-F237 PolarHBondContact O-N 3.49Å; F237-T240 PolarHBondContact O-N 3.15Å; F237-F241 PolarHBondContact O-N 2.95Å |
| 238 | L | 92.2 | Very high | 90.3 | Very high | 99 Ų | 99 | 46.6 Ų | 46.6 | 52% | 0.518 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64 | -48.4 | 175.8 | -175.6 | 62 | 0 | 0 | 0 | 110.7 | N234 V235 T240 F241 T242 | N234-L238 WeakPolarHBondContact O-CB 3.36Å; N234-L238 PolarHBondContact O-N 3.36Å; V235-L238 PolarHBondContact O-N 2.99Å; L238-T240 VanDerWaalsContact C-N 3.3Å; L238-T240 PolarHBondContact O-N 2.89Å; L238-F241 WeakPolarHBondContact O-CB 3.37Å; L238-F241 PolarHBondContact O-N 2.95Å; L238-T242 PolarHBondContact O-N 2.72Å; L238-T242 PolarHBondContact O-OG1 2.86Å |
| 239 | T | 91 | Very high | 90.3 | Very high | 30 Ų | 30 | 46.5 Ų | 46.5 | 18% | 0.184 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.2 | -44 | 175.1 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | A224 I225 S228 V235 F241 T242 V243 | A224-T239 HydrophobicContact CB-CG2 4.35Å; I225-T239 HydrophobicContact CG1-CG2 4.29Å; S228-T239 VanDerWaalsContact CB-OG1 3.23Å; S228-T239 WeakPolarHBondContact CB-OG1 3.38Å; S228-T239 WeakPolarHBondContact OG-CB 3.39Å; S228-T239 WeakPolarHBondContact OG-CG2 3.25Å; S228-T239 PolarHBondContact OG-OG1 3.1Å; V235-T239 WeakPolarHBondContact O-CB 3.24Å; V235-T239 PolarHBondContact O-N 3.12Å; V235-T239 PolarHBondContact O-OG1 2.88Å; T239-F241 VanDerWaalsContact C-N 3.3Å; T239-F241 PolarHBondContact O-N 3.21Å; T239-T242 PolarHBondContact O-N 3.06Å; T239-V243 HydrophobicContact CG2-CG2 4.23Å; T239-V243 WeakPolarHBondContact O-CB 3.21Å; T239-V243 VanDerWaalsContact O-CG2 3.28Å; T239-V243 WeakPolarHBondContact O-CG2 3.48Å; T239-V243 PolarHBondContact O-N 2.99Å |
| 240 | T | 95 | Very high | 90.4 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.043 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.2 | -42.2 | 176.5 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | A65 I69 G236 F237 L238 L244 | A65-T240 HydrophobicContact CB-CG2 3.59Å; A65-T240 WeakPolarHBondContact CB-OG1 3.05Å; I69-T240 HydrophobicContact CG2-CG2 3.99Å; G236-T240 WeakPolarHBondContact O-CB 3.34Å; G236-T240 PolarHBondContact O-N 2.94Å; G236-T240 PolarHBondContact O-OG1 3.34Å; F237-T240 PolarHBondContact O-N 3.15Å; L238-T240 VanDerWaalsContact C-N 3.3Å; L238-T240 PolarHBondContact O-N 2.89Å; T240-L244 WeakPolarHBondContact O-CB 3.48Å; T240-L244 PolarHBondContact O-N 3.03Å |
| 241 | F | 93.9 | Very high | 90.7 | Very high | 105 Ų | 105 | 43.7 Ų | 43.7 | 46% | 0.461 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.4 | -43.3 | 178.1 | 177.9 | -104.5 | 0 | 0 | 0 | 111.5 | F237 L238 T239 L244 L245 | F237-F241 PolarHBondContact O-N 2.95Å; L238-F241 WeakPolarHBondContact O-CB 3.37Å; L238-F241 PolarHBondContact O-N 2.95Å; T239-F241 VanDerWaalsContact C-N 3.3Å; T239-F241 PolarHBondContact O-N 3.21Å; F241-L244 WeakPolarHBondContact O-CB 3.31Å; F241-L244 PolarHBondContact O-N 3.48Å; F241-L245 HydrophobicContact CD1-CD1 4.1Å; F241-L245 HydrophobicContact CE1-CD1 3.55Å; F241-L245 HydrophobicContact CE1-CG 4.14Å; F241-L245 HydrophobicContact CE2-CD2 4.49Å; F241-L245 HydrophobicContact CZ-CD1 3.9Å; F241-L245 HydrophobicContact CZ-CD2 4.17Å; F241-L245 HydrophobicContact CZ-CG 4.14Å; F241-L245 WeakPolarHBondContact O-CG 3.29Å; F241-L245 PolarHBondContact O-N 3Å |
| 242 | T | 91.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.3 | -43.1 | 178.1 | -54.2 | 0 | 0 | 0 | 0 | 111.9 | L238 T239 L244 L245 H246 I379 E383 | L238-T242 PolarHBondContact O-N 2.72Å; L238-T242 PolarHBondContact O-OG1 2.86Å; T239-T242 PolarHBondContact O-N 3.06Å; T242-L244 PolarHBondContact O-N 2.92Å; T242-L245 WeakPolarHBondContact O-CB 3.3Å; T242-L245 PolarHBondContact O-N 3.36Å; T242-L245 VanDerWaalsContact O-N 3.13Å; T242-H246 PolarHBondContact O-N 3.3Å; T242-I379 HydrophobicContact CG2-CG2 3.6Å; T242-E383 HydrophobicContact CG2-CG 3.49Å; T242-E383 VanDerWaalsContact CG2-CG 3.49Å |
| 243 | V | 93 | Very high | 91.6 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.024 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.8 | -48.1 | 172.7 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | I69 D221 I225 T239 L245 H246 E247 | I69-V243 HydrophobicContact CD1-CG1 3.72Å; I69-V243 HydrophobicContact CG2-CG1 4.2Å; D221-V243 HydrophobicContact CB-CG1 3.92Å; D221-V243 HydrophobicContact CB-CG2 4.44Å; I225-V243 HydrophobicContact CD1-CB 4.32Å; I225-V243 HydrophobicContact CD1-CG1 4.15Å; I225-V243 HydrophobicContact CD1-CG2 4.37Å; I225-V243 HydrophobicContact CG1-CG2 4.25Å; T239-V243 HydrophobicContact CG2-CG2 4.23Å; T239-V243 WeakPolarHBondContact O-CB 3.21Å; T239-V243 VanDerWaalsContact O-CG2 3.28Å; T239-V243 WeakPolarHBondContact O-CG2 3.48Å; T239-V243 PolarHBondContact O-N 2.99Å; V243-L245 PolarHBondContact O-N 2.99Å; V243-L245 VanDerWaalsContact O-N 3.15Å; V243-H246 WeakPolarHBondContact CA-NE2 3.29Å; V243-H246 PolarHBondContact O-CD2 3.32Å; V243-H246 PolarHBondContact O-N 2.96Å; V243-H246 VanDerWaalsContact O-N 3.07Å; V243-E247 HydrophobicContact CG1-CG 3.71Å; V243-E247 VanDerWaalsContact O-CB 3.29Å; V243-E247 WeakPolarHBondContact O-CB 3.49Å; V243-E247 WeakPolarHBondContact O-CG 3Å; V243-E247 PolarHBondContact O-N 3.39Å |
| 244 | L | 93.5 | Very high | 91.7 | Very high | 28 Ų | 28 | 34.6 Ų | 34.6 | 15% | 0.147 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.8 | -37.1 | 176.7 | -179 | 64.6 | 0 | 0 | 0 | 112.6 | I69 A72 T240 F241 T242 L248 | I69-L244 HydrophobicContact CG2-CB 4.08Å; I69-L244 HydrophobicContact CG2-CD1 4.47Å; A72-L244 HydrophobicContact CB-CD1 3.75Å; T240-L244 WeakPolarHBondContact O-CB 3.48Å; T240-L244 PolarHBondContact O-N 3.03Å; F241-L244 WeakPolarHBondContact O-CB 3.31Å; F241-L244 PolarHBondContact O-N 3.48Å; T242-L244 PolarHBondContact O-N 2.92Å; L244-L248 HydrophobicContact CD1-CD1 4.32Å; L244-L248 HydrophobicContact CD1-CD2 4.46Å; L244-L248 HydrophobicContact CD1-CG 4.05Å; L244-L248 HydrophobicContact CG-CD1 4.36Å; L244-L248 HydrophobicContact CG-CG 4.47Å; L244-L248 WeakPolarHBondContact O-CG 3.39Å; L244-L248 PolarHBondContact O-N 2.82Å |
| 245 | L | 91.8 | Very high | 91.8 | Very high | 60 Ų | 60 | 28.4 Ų | 28.4 | 31% | 0.314 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -66.9 | -34.2 | 179.9 | -73.4 | 180 | 0 | 0 | 0 | 112.8 | F241 T242 V243 P249 I379 L382 | F241-L245 HydrophobicContact CD1-CD1 4.1Å; F241-L245 HydrophobicContact CE1-CD1 3.55Å; F241-L245 HydrophobicContact CE1-CG 4.14Å; F241-L245 HydrophobicContact CE2-CD2 4.49Å; F241-L245 HydrophobicContact CZ-CD1 3.9Å; F241-L245 HydrophobicContact CZ-CD2 4.17Å; F241-L245 HydrophobicContact CZ-CG 4.14Å; F241-L245 WeakPolarHBondContact O-CG 3.29Å; F241-L245 PolarHBondContact O-N 3Å; T242-L245 WeakPolarHBondContact O-CB 3.3Å; T242-L245 PolarHBondContact O-N 3.36Å; T242-L245 VanDerWaalsContact O-N 3.13Å; V243-L245 PolarHBondContact O-N 2.99Å; V243-L245 VanDerWaalsContact O-N 3.15Å; L245-P249 WeakPolarHBondContact O-CD 3.26Å; L245-P249 WeakPolarHBondContact O-CG 3.35Å; L245-I379 HydrophobicContact CB-CD1 4.14Å; L245-I379 HydrophobicContact CB-CG1 4.36Å; L245-L382 HydrophobicContact CD1-CD1 3.82Å |
| 246 | H | 92 | Very high | 92.1 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -88 | -32.4 | 175.3 | 59.1 | -134.8 | 0 | 0 | 0 | 112.8 | D221 T242 V243 L248 P249 H250 M376 I379 | D221-H246 IonicContact OD1-NE2 3.7Å; D221-H246 IonicContact OD2-NE2 2.81Å; T242-H246 PolarHBondContact O-N 3.3Å; V243-H246 WeakPolarHBondContact CA-NE2 3.29Å; V243-H246 PolarHBondContact O-CD2 3.32Å; V243-H246 PolarHBondContact O-N 2.96Å; V243-H246 VanDerWaalsContact O-N 3.07Å; H246-L248 PolarHBondContact O-N 3.23Å; H246-P249 WeakPolarHBondContact O-CD 3.46Å; H246-P249 VanDerWaalsContact O-CG 3.3Å; H246-P249 WeakPolarHBondContact O-CG 3.31Å; H246-H250 WeakPolarHBondContact O-CB 3.47Å; H246-H250 PolarHBondContact O-CD2 2.81Å; H246-H250 PolarHBondContact O-N 3.19Å; H246-M376 HydrophobicContact CB-CE 3.57Å; H246-M376 HydrophobicContact CB-SD 3.89Å; H246-I379 HydrophobicContact CB-CD1 3.76Å; H246-I379 HydrophobicContact CB-CG2 4.31Å |
| 247 | E | 91.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.5 | -44.1 | 179.8 | -85.2 | -61.2 | 109.9 | 0 | 0 | 112.2 | H217 V243 H250 E251 | H217-E247 IonicContact CD2-OE1 3.65Å; H217-E247 PolarHBondContact CD2-OE1 2.97Å; H217-E247 IonicContact NE2-OE1 3.86Å; V243-E247 HydrophobicContact CG1-CG 3.71Å; V243-E247 VanDerWaalsContact O-CB 3.29Å; V243-E247 WeakPolarHBondContact O-CB 3.49Å; V243-E247 WeakPolarHBondContact O-CG 3Å; V243-E247 PolarHBondContact O-N 3.39Å; E247-H250 PolarHBondContact O-N 3.5Å; E247-E251 VanDerWaalsContact O-CB 3.23Å; E247-E251 WeakPolarHBondContact O-CB 3.42Å; E247-E251 WeakPolarHBondContact O-CG 3.44Å; E247-E251 PolarHBondContact O-N 3.41Å |
| 248 | L | 90.6 | Very high | 92.2 | Very high | 30 Ų | 30 | 21.1 Ų | 21.1 | 16% | 0.157 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -53 | -53.1 | 177.3 | -76.3 | 178.6 | 0 | 0 | 0 | 113.2 | A72 P73 I76 L244 H246 I252 | A72-L248 HydrophobicContact CB-CD2 4.47Å; P73-L248 VanDerWaalsContact CA-CD2 3.44Å; P73-L248 HydrophobicContact CB-CD2 3.82Å; P73-L248 HydrophobicContact CG-CD2 3.74Å; I76-L248 HydrophobicContact CD1-CD1 3.98Å; I76-L248 HydrophobicContact CD1-CD2 3.43Å; I76-L248 VanDerWaalsContact CD1-CD2 3.43Å; I76-L248 HydrophobicContact CD1-CG 4.36Å; L244-L248 HydrophobicContact CD1-CD1 4.32Å; L244-L248 HydrophobicContact CD1-CD2 4.46Å; L244-L248 HydrophobicContact CD1-CG 4.05Å; L244-L248 HydrophobicContact CG-CD1 4.36Å; L244-L248 HydrophobicContact CG-CG 4.47Å; L244-L248 WeakPolarHBondContact O-CG 3.39Å; L244-L248 PolarHBondContact O-N 2.82Å; H246-L248 PolarHBondContact O-N 3.23Å; L248-I252 WeakPolarHBondContact O-CD1 3.48Å; L248-I252 VanDerWaalsContact O-CG1 3.22Å; L248-I252 WeakPolarHBondContact O-CG1 3.2Å; L248-I252 PolarHBondContact O-N 3.39Å |
| 249 | P | 89.1 | Confident | 92.1 | Very high | 17 Ų | 17 | 16.6 Ų | 16.6 | 11% | 0.11 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.9 | -36.3 | 175.4 | 10.4 | -16.4 | 0 | 0 | 0 | 114 | F96 L245 H246 I252 G253 M375 M376 | F96-P249 HydrophobicContact CE1-CB 3.45Å; F96-P249 VanDerWaalsContact CE1-CB 3.45Å; F96-P249 HydrophobicContact CZ-CB 3.82Å; L245-P249 WeakPolarHBondContact O-CD 3.26Å; L245-P249 WeakPolarHBondContact O-CG 3.35Å; H246-P249 WeakPolarHBondContact O-CD 3.46Å; H246-P249 VanDerWaalsContact O-CG 3.3Å; H246-P249 WeakPolarHBondContact O-CG 3.31Å; P249-I252 PolarHBondContact O-N 3.26Å; P249-G253 PolarHBondContact O-N 3.41Å; P249-M375 HydrophobicContact CB-CE 3.7Å; P249-M375 HydrophobicContact CB-SD 3.45Å; P249-M375 WeakPolarHBondContact CB-SD 3.14Å; P249-M375 HydrophobicContact CG-CE 3.83Å; P249-M375 HydrophobicContact CG-SD 3.22Å; P249-M375 WeakPolarHBondContact CG-SD 3.37Å; P249-M376 HydrophobicContact CG-CE 4.43Å |
| 250 | H | 91.6 | Very high | 92.1 | Very high | 6 Ų | 6 | 18.3 Ų | 18.3 | 3% | 0.028 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.3 | -50.8 | 174.7 | -84.5 | -68.4 | 0 | 0 | 0 | 111.6 | H246 E247 I252 G253 D254 M376 | H246-H250 WeakPolarHBondContact O-CB 3.47Å; H246-H250 PolarHBondContact O-CD2 2.81Å; H246-H250 PolarHBondContact O-N 3.19Å; E247-H250 PolarHBondContact O-N 3.5Å; H250-I252 VanDerWaalsContact C-N 3.29Å; H250-I252 PolarHBondContact O-N 2.73Å; H250-G253 CarbonylContact O-C 3.55Å; H250-G253 WeakPolarHBondContact O-CA 3.43Å; H250-G253 PolarHBondContact O-N 3.39Å; H250-D254 WeakPolarHBondContact O-CB 3.39Å; H250-D254 PolarHBondContact O-N 3.39Å; H250-M376 WeakPolarHBondContact NE2-CE 3.38Å |
| 251 | E | 92 | Very high | 91.8 | Very high | 7 Ų | 7 | 18.1 Ų | 18.1 | 3% | 0.033 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.4 | -34.6 | 177.3 | -82.1 | -83.5 | -174.6 | 0 | 0 | 113.7 | P73 E247 Y255 Q272 | P73-E251 HydrophobicContact CB-CB 3.52Å; P73-E251 HydrophobicContact CB-CG 3.6Å; P73-E251 HydrophobicContact CG-CB 4.22Å; P73-E251 HydrophobicContact CG-CG 3.84Å; E247-E251 VanDerWaalsContact O-CB 3.23Å; E247-E251 WeakPolarHBondContact O-CB 3.42Å; E247-E251 WeakPolarHBondContact O-CG 3.44Å; E247-E251 PolarHBondContact O-N 3.41Å; E251-Y255 WeakPolarHBondContact O-CB 3.28Å; E251-Y255 PolarHBondContact O-N 2.7Å; E251-Q272 PolarHBondContact O-NE2 2.83Å; E251-Q272 PolarHBondContact O-OE1 3.5Å; E251-Q272 VanDerWaalsContact O-OE1 3.11Å; E251-Q272 WeakPolarHBondContact OE2-CB 3.39Å; E251-Q272 PolarHBondContact OE2-NE2 2.77Å |
| 252 | I | 90.7 | Very high | 91.6 | Very high | 36 Ų | 36 | 15.8 Ų | 15.8 | 19% | 0.185 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.9 | -39.5 | 172.2 | -68.4 | 166.5 | 0 | 0 | 0 | 110.8 | I76 L77 I80 L93 L248 P249 H250 A256 | I76-I252 HydrophobicContact CG2-CD1 4.43Å; L77-I252 HydrophobicContact CD2-CG1 3.95Å; I80-I252 HydrophobicContact CD1-CD1 4.34Å; I80-I252 HydrophobicContact CD1-CG1 4.05Å; I80-I252 HydrophobicContact CD1-CG2 4.3Å; L93-I252 HydrophobicContact CD1-CG2 4.28Å; L93-I252 HydrophobicContact CD2-CG2 3.79Å; L248-I252 WeakPolarHBondContact O-CD1 3.48Å; L248-I252 VanDerWaalsContact O-CG1 3.22Å; L248-I252 WeakPolarHBondContact O-CG1 3.2Å; L248-I252 PolarHBondContact O-N 3.39Å; P249-I252 PolarHBondContact O-N 3.26Å; H250-I252 VanDerWaalsContact C-N 3.29Å; H250-I252 PolarHBondContact O-N 2.73Å; I252-A256 PolarHBondContact O-N 2.9Å; I252-A256 VanDerWaalsContact O-N 3.17Å |
| 253 | G | 91.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.4 | -47.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P249 H250 Y255 A256 I257 | P249-G253 PolarHBondContact O-N 3.41Å; H250-G253 CarbonylContact O-C 3.55Å; H250-G253 WeakPolarHBondContact O-CA 3.43Å; H250-G253 PolarHBondContact O-N 3.39Å; G253-Y255 PolarHBondContact O-N 3Å; G253-A256 WeakPolarHBondContact O-CA 3.24Å; G253-A256 VanDerWaalsContact O-CB 3.29Å; G253-A256 WeakPolarHBondContact O-CB 3.32Å; G253-A256 PolarHBondContact O-N 3.23Å; G253-I257 WeakPolarHBondContact O-CG1 3.43Å; G253-I257 PolarHBondContact O-N 3.02Å |
| 254 | D | 92.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.9 | -35.7 | 177 | -75.4 | -8.1 | 0 | 0 | 0 | 111.2 | N210 D214 H250 A256 I257 L258 | N210-D254 VanDerWaalsContact ND2-CB 3.34Å; N210-D254 WeakPolarHBondContact ND2-CB 3.22Å; N210-D254 PolarHBondContact ND2-OD1 3.38Å; N210-D254 PolarHBondContact ND2-OD2 2.99Å; N210-D254 PolarHBondContact OD1-OD1 3.07Å; D214-D254 WeakPolarHBondContact CB-OD2 3.4Å; H250-D254 WeakPolarHBondContact O-CB 3.39Å; H250-D254 PolarHBondContact O-N 3.39Å; D254-A256 VanDerWaalsContact C-N 3.31Å; D254-A256 PolarHBondContact O-N 2.98Å; D254-I257 PolarHBondContact O-N 3.24Å; D254-I257 VanDerWaalsContact O-N 3.13Å; D254-L258 WeakPolarHBondContact O-CG 3.44Å; D254-L258 PolarHBondContact O-N 3.14Å |
| 255 | Y | 93.2 | Very high | 91.4 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 1% | 0.012 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 174.6 | 173.1 | -113.5 | 0 | 0 | 0 | 109.7 | L77 L83 E251 G253 I257 L258 I259 S265 A268 M269 Q272 | L77-Y255 HydrophobicContact CD2-CD1 3.9Å; L77-Y255 HydrophobicContact CD2-CG 3.93Å; L83-Y255 HydrophobicContact CD1-CD1 3.56Å; L83-Y255 HydrophobicContact CD1-CE1 3.45Å; L83-Y255 VanDerWaalsContact CD1-CE1 3.45Å; L83-Y255 HydrophobicContact CG-CD1 4.38Å; L83-Y255 HydrophobicContact CG-CE1 3.77Å; E251-Y255 WeakPolarHBondContact O-CB 3.28Å; E251-Y255 PolarHBondContact O-N 2.7Å; G253-Y255 PolarHBondContact O-N 3Å; Y255-I257 VanDerWaalsContact C-N 3.35Å; Y255-I257 PolarHBondContact O-N 3.36Å; Y255-L258 PolarHBondContact O-N 3.35Å; Y255-I259 HydrophobicContact CD2-CG1 4.27Å; Y255-I259 HydrophobicContact CE1-CG1 4.22Å; Y255-I259 HydrophobicContact CE2-CD1 3.91Å; Y255-I259 HydrophobicContact CE2-CG1 3.89Å; Y255-I259 VanDerWaalsContact O-CG1 3.27Å; Y255-I259 WeakPolarHBondContact O-CG1 3.34Å; Y255-I259 PolarHBondContact O-N 3.14Å; Y255-S265 WeakPolarHBondContact OH-CB 3.23Å; Y255-S265 PolarHBondContact OH-OG 2.91Å; Y255-A268 HydrophobicContact CD2-CB 3.64Å; Y255-A268 HydrophobicContact CE2-CB 3.77Å; Y255-M269 HydrophobicContact CD2-CG 4.16Å; Y255-M269 HydrophobicContact CE2-CG 3.93Å; Y255-Q272 VanDerWaalsContact CA-OE1 3.29Å |
| 256 | A | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.6 | -41.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L83 L90 L93 L94 I252 G253 D254 I259 Q260 | L83-A256 HydrophobicContact CD1-CB 4.27Å; L90-A256 HydrophobicContact CD1-CB 3.75Å; L93-A256 HydrophobicContact CB-CB 3.82Å; L94-A256 HydrophobicContact CD2-CB 4.07Å; L94-A256 HydrophobicContact CG-CB 4.2Å; I252-A256 PolarHBondContact O-N 2.9Å; I252-A256 VanDerWaalsContact O-N 3.17Å; G253-A256 WeakPolarHBondContact O-CA 3.24Å; G253-A256 VanDerWaalsContact O-CB 3.29Å; G253-A256 WeakPolarHBondContact O-CB 3.32Å; G253-A256 PolarHBondContact O-N 3.23Å; D254-A256 VanDerWaalsContact C-N 3.31Å; D254-A256 PolarHBondContact O-N 2.98Å; A256-I259 PolarHBondContact O-N 3.46Å; A256-Q260 VanDerWaalsContact O-CB 3.28Å; A256-Q260 WeakPolarHBondContact O-CB 3.23Å; A256-Q260 PolarHBondContact O-N 3.4Å |
| 257 | I | 92.7 | Very high | 91.3 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.2 | -42.7 | 176.7 | -65.2 | 169.6 | 0 | 0 | 0 | 110.9 | L94 A97 L101 T206 N210 G253 D254 Y255 Q260 S261 I327 V332 | L94-I257 HydrophobicContact CD2-CB 4.35Å; L94-I257 HydrophobicContact CD2-CG1 3.67Å; A97-I257 HydrophobicContact CB-CD1 4.29Å; L101-I257 HydrophobicContact CD1-CD1 4.16Å; T206-I257 HydrophobicContact CG2-CG2 4.15Å; N210-I257 HydrophobicContact CB-CG2 3.9Å; N210-I257 WeakPolarHBondContact OD1-CD1 3.27Å; G253-I257 WeakPolarHBondContact O-CG1 3.43Å; G253-I257 PolarHBondContact O-N 3.02Å; D254-I257 PolarHBondContact O-N 3.24Å; D254-I257 VanDerWaalsContact O-N 3.13Å; Y255-I257 VanDerWaalsContact C-N 3.35Å; Y255-I257 PolarHBondContact O-N 3.36Å; I257-Q260 PolarHBondContact O-N 3.36Å; I257-S261 WeakPolarHBondContact O-CB 3.48Å; I257-S261 PolarHBondContact O-N 2.89Å; I257-S261 PolarHBondContact O-OG 2.66Å; I257-I327 HydrophobicContact CD1-CG2 4.49Å; I257-V332 HydrophobicContact CD1-CG2 3.74Å; I257-V332 HydrophobicContact CG1-CG2 4.03Å |
| 258 | L | 93 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.1 | -42 | 177.3 | -72 | 169.4 | 0 | 0 | 0 | 112.4 | L211 D254 Y255 S261 G262 F263 A268 L271 Q272 | L211-L258 HydrophobicContact CD1-CD2 4.07Å; L211-L258 HydrophobicContact CD2-CD1 4.01Å; L211-L258 HydrophobicContact CD2-CD2 4.32Å; L211-L258 HydrophobicContact CG-CD2 4.04Å; D254-L258 WeakPolarHBondContact O-CG 3.44Å; D254-L258 PolarHBondContact O-N 3.14Å; Y255-L258 PolarHBondContact O-N 3.35Å; L258-S261 CarbonylContact O-C 3.47Å; L258-S261 WeakPolarHBondContact O-CB 3.36Å; L258-S261 PolarHBondContact O-N 3.4Å; L258-G262 PolarHBondContact O-N 3.08Å; L258-F263 HydrophobicContact CB-CB 4.5Å; L258-F263 HydrophobicContact CD2-CD2 4.07Å; L258-F263 HydrophobicContact CD2-CE2 4.2Å; L258-F263 WeakPolarHBondContact O-CB 3.28Å; L258-F263 WeakPolarHBondContact O-CD2 3.16Å; L258-F263 PolarHBondContact O-N 2.92Å; L258-A268 HydrophobicContact CB-CB 3.65Å; L258-A268 HydrophobicContact CD1-CB 4.03Å; L258-A268 HydrophobicContact CG-CB 4.5Å; L258-L271 HydrophobicContact CD1-CB 4.45Å; L258-Q272 HydrophobicContact CD1-CG 3.71Å |
| 259 | I | 92 | Very high | 91.4 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.4 | -47.9 | 173.7 | -68.3 | -57.7 | 0 | 0 | 0 | 110.3 | L83 N84 L90 Y255 A256 S261 G262 F263 A268 | L83-I259 HydrophobicContact CB-CG2 4.21Å; N84-I259 WeakPolarHBondContact OD1-CG2 3.49Å; L90-I259 HydrophobicContact CD1-CB 4.32Å; L90-I259 HydrophobicContact CD1-CG2 4.17Å; L90-I259 HydrophobicContact CD2-CG2 4.23Å; Y255-I259 HydrophobicContact CD2-CG1 4.27Å; Y255-I259 HydrophobicContact CE1-CG1 4.22Å; Y255-I259 HydrophobicContact CE2-CD1 3.91Å; Y255-I259 HydrophobicContact CE2-CG1 3.89Å; Y255-I259 VanDerWaalsContact O-CG1 3.27Å; Y255-I259 WeakPolarHBondContact O-CG1 3.34Å; Y255-I259 PolarHBondContact O-N 3.14Å; A256-I259 PolarHBondContact O-N 3.46Å; I259-S261 PolarHBondContact O-N 3.48Å; I259-G262 PolarHBondContact O-N 3.42Å; I259-F263 WeakPolarHBondContact CD1-O 3.41Å; I259-A268 HydrophobicContact CD1-CB 4.22Å |
| 260 | Q | 89 | Confident | 91.6 | Very high | 67 Ų | 67 | 34 Ų | 34 | 31% | 0.313 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61 | -33.9 | 176.4 | -179.7 | 58.2 | 42.3 | 0 | 0 | 112 | L94 A256 I257 G262 | L94-Q260 HydrophobicContact CD1-CB 4.02Å; L94-Q260 HydrophobicContact CD1-CG 3.88Å; L94-Q260 HydrophobicContact CD2-CB 4.2Å; A256-Q260 VanDerWaalsContact O-CB 3.28Å; A256-Q260 WeakPolarHBondContact O-CB 3.23Å; A256-Q260 PolarHBondContact O-N 3.4Å; I257-Q260 PolarHBondContact O-N 3.36Å; Q260-G262 PolarHBondContact O-N 3.31Å |
| 261 | S | 90.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -3.5 | 175.2 | -64.2 | 0 | 0 | 0 | 0 | 113.8 | F203 K204 G207 I257 L258 I259 | F203-S261 CarbonylContact C-O 3.6Å; F203-S261 WeakPolarHBondContact O-CA 3.28Å; F203-S261 WeakPolarHBondContact O-CB 3.29Å; F203-S261 PolarHBondContact O-OG 2.98Å; F203-S261 VanDerWaalsContact O-OG 3.05Å; K204-S261 PolarHBondContact N-O 3.05Å; G207-S261 VanDerWaalsContact CA-OG 3.25Å; G207-S261 WeakPolarHBondContact CA-OG 3.46Å; G207-S261 PolarHBondContact N-OG 3.07Å; G207-S261 VanDerWaalsContact N-OG 3.07Å; I257-S261 WeakPolarHBondContact O-CB 3.48Å; I257-S261 PolarHBondContact O-N 2.89Å; I257-S261 PolarHBondContact O-OG 2.66Å; L258-S261 CarbonylContact O-C 3.47Å; L258-S261 WeakPolarHBondContact O-CB 3.36Å; L258-S261 PolarHBondContact O-N 3.4Å; I259-S261 PolarHBondContact O-N 3.48Å |
| 262 | G | 89.6 | Confident | 91.7 | Very high | 56 Ų | 56 | 35.1 Ų | 35.1 | 58% | 0.577 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.3 | 17.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | L258 I259 Q260 | L258-G262 PolarHBondContact O-N 3.08Å; I259-G262 PolarHBondContact O-N 3.42Å; Q260-G262 PolarHBondContact O-N 3.31Å |
| 263 | F | 90.9 | Very high | 91.7 | Very high | 8 Ų | 8 | 36.9 Ų | 36.9 | 4% | 0.035 | 19% | 0.193 | C | C | . | . | trans | -83.6 | 146.1 | 171.5 | -64.7 | -99 | 0 | 0 | 0 | 110.5 | Y208 L258 I259 K267 A268 L271 | Y208-F263 HydrophobicContact CD2-CZ 4.44Å; Y208-F263 HydrophobicContact CE1-CE1 4.45Å; Y208-F263 HydrophobicContact CE1-CZ 4.14Å; Y208-F263 AromaticContact CE2-CZ 3.96Å; Y208-F263 HydrophobicContact CE2-CZ 3.96Å; Y208-F263 AromaticContact CZ-CZ 3.8Å; L258-F263 HydrophobicContact CB-CB 4.5Å; L258-F263 HydrophobicContact CD2-CD2 4.07Å; L258-F263 HydrophobicContact CD2-CE2 4.2Å; L258-F263 WeakPolarHBondContact O-CB 3.28Å; L258-F263 WeakPolarHBondContact O-CD2 3.16Å; L258-F263 PolarHBondContact O-N 2.92Å; I259-F263 WeakPolarHBondContact CD1-O 3.41Å; F263-K267 HydrophobicContact CD1-CD 3.75Å; F263-K267 HydrophobicContact CD1-CG 4.03Å; F263-K267 HydrophobicContact CE1-CD 4.37Å; F263-A268 HydrophobicContact CB-CB 4.42Å; F263-L271 HydrophobicContact CD1-CD1 3.59Å; F263-L271 HydrophobicContact CE1-CD1 3.58Å; F263-L271 HydrophobicContact CG-CD1 4.42Å; F263-L271 HydrophobicContact CZ-CD1 4.39Å | ||
| 264 | S | 91.1 | Very high | 91.7 | Very high | 68 Ų | 68 | 41.1 Ų | 41.1 | 48% | 0.476 | 22% | 0.219 | S | C | . | . | trans | -72.2 | 151.5 | 170.6 | 61.2 | 0 | 0 | 0 | 0 | 110.6 | R266 K267 A268 | S264-R266 PolarHBondContact O-N 2.85Å; S264-K267 CarbonylContact O-C 3.59Å; S264-K267 WeakPolarHBondContact O-CA 3.49Å; S264-K267 WeakPolarHBondContact O-CB 3.26Å; S264-K267 PolarHBondContact O-N 3.41Å; S264-K267 VanDerWaalsContact OG-CB 3.28Å; S264-K267 WeakPolarHBondContact OG-CB 2.96Å; S264-A268 PolarHBondContact O-N 2.92Å | ||
| 265 | S | 90.3 | Very high | 91.7 | Very high | 21 Ų | 21 | 41.2 Ų | 41.2 | 15% | 0.147 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -47 | -50.9 | 179.8 | -58.4 | 0 | 0 | 0 | 0 | 115.1 | D82 Y255 K267 A268 M269 | D82-S265 PolarHBondContact OD1-OG 2.72Å; D82-S265 VanDerWaalsContact OD1-OG 3.1Å; Y255-S265 WeakPolarHBondContact OH-CB 3.23Å; Y255-S265 PolarHBondContact OH-OG 2.91Å; S265-K267 VanDerWaalsContact C-N 3.3Å; S265-K267 PolarHBondContact O-N 3.48Å; S265-A268 PolarHBondContact O-N 3.18Å; S265-M269 WeakPolarHBondContact O-CG 3.44Å; S265-M269 PolarHBondContact O-N 3.05Å |
| 266 | R | 90.7 | Very high | 91.6 | Very high | 203 Ų | 203 | 41.5 Ų | 41.5 | 77% | 0.766 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -59.8 | -41.5 | 178.5 | -70 | -174.2 | 178.9 | 176.9 | -1 | 112.7 | S264 L270 | S264-R266 PolarHBondContact O-N 2.85Å; R266-L270 WeakPolarHBondContact O-CB 3.44Å; R266-L270 VanDerWaalsContact O-CG 3.29Å; R266-L270 WeakPolarHBondContact O-CG 3.4Å; R266-L270 PolarHBondContact O-N 2.84Å; R266-L270 VanDerWaalsContact O-N 3.09Å |
| 267 | K | 92.8 | Very high | 91.7 | Very high | 98 Ų | 98 | 44.9 Ų | 44.9 | 43% | 0.426 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.4 | -39.7 | 179 | -172.5 | 172.3 | 176 | -176.9 | 0 | 111.4 | F263 S264 S265 L270 L271 | F263-K267 HydrophobicContact CD1-CD 3.75Å; F263-K267 HydrophobicContact CD1-CG 4.03Å; F263-K267 HydrophobicContact CE1-CD 4.37Å; S264-K267 CarbonylContact O-C 3.59Å; S264-K267 WeakPolarHBondContact O-CA 3.49Å; S264-K267 WeakPolarHBondContact O-CB 3.26Å; S264-K267 PolarHBondContact O-N 3.41Å; S264-K267 VanDerWaalsContact OG-CB 3.28Å; S264-K267 WeakPolarHBondContact OG-CB 2.96Å; S265-K267 VanDerWaalsContact C-N 3.3Å; S265-K267 PolarHBondContact O-N 3.48Å; K267-L270 PolarHBondContact O-N 3.02Å; K267-L271 HydrophobicContact CG-CD1 3.93Å; K267-L271 HydrophobicContact CG-CG 4.37Å; K267-L271 WeakPolarHBondContact O-CB 3.42Å; K267-L271 VanDerWaalsContact O-CG 3.24Å; K267-L271 WeakPolarHBondContact O-CG 3.44Å; K267-L271 PolarHBondContact O-N 3.29Å |
| 268 | A | 92.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.1 | -51.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y255 L258 I259 F263 S264 S265 L270 L271 Q272 | Y255-A268 HydrophobicContact CD2-CB 3.64Å; Y255-A268 HydrophobicContact CE2-CB 3.77Å; L258-A268 HydrophobicContact CB-CB 3.65Å; L258-A268 HydrophobicContact CD1-CB 4.03Å; L258-A268 HydrophobicContact CG-CB 4.5Å; I259-A268 HydrophobicContact CD1-CB 4.22Å; F263-A268 HydrophobicContact CB-CB 4.42Å; S264-A268 PolarHBondContact O-N 2.92Å; S265-A268 PolarHBondContact O-N 3.18Å; A268-L270 VanDerWaalsContact C-N 3.34Å; A268-L270 PolarHBondContact O-N 3.23Å; A268-L271 PolarHBondContact O-N 3.41Å; A268-L271 VanDerWaalsContact O-N 3.1Å; A268-Q272 PolarHBondContact O-N 2.98Å; A268-Q272 VanDerWaalsContact O-N 3.09Å |
| 269 | M | 91 | Very high | 91.8 | Very high | 25 Ų | 25 | 44.7 Ų | 44.7 | 12% | 0.123 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.1 | -41.2 | 177.4 | -64.5 | -175.8 | -53.4 | 0 | 0 | 113.1 | F74 L77 Y255 S265 L271 Q272 L273 | F74-M269 HydrophobicContact CD2-CB 4.26Å; F74-M269 HydrophobicContact CE2-CB 3.98Å; L77-M269 HydrophobicContact CB-CG 4.14Å; L77-M269 HydrophobicContact CB-SD 3.94Å; L77-M269 HydrophobicContact CD1-CG 4.42Å; Y255-M269 HydrophobicContact CD2-CG 4.16Å; Y255-M269 HydrophobicContact CE2-CG 3.93Å; S265-M269 WeakPolarHBondContact O-CG 3.44Å; S265-M269 PolarHBondContact O-N 3.05Å; M269-L271 VanDerWaalsContact C-N 3.34Å; M269-Q272 PolarHBondContact O-N 3.22Å; M269-L273 PolarHBondContact O-N 3.03Å; M269-L273 VanDerWaalsContact O-N 3.09Å |
| 270 | L | 92.5 | Very high | 92 | Very high | 103 Ų | 103 | 47.7 Ų | 47.7 | 54% | 0.539 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.6 | -33.9 | 177.2 | -73.3 | 173.5 | 0 | 0 | 0 | 112.7 | R266 K267 A268 L273 V274 | R266-L270 WeakPolarHBondContact O-CB 3.44Å; R266-L270 VanDerWaalsContact O-CG 3.29Å; R266-L270 WeakPolarHBondContact O-CG 3.4Å; R266-L270 PolarHBondContact O-N 2.84Å; R266-L270 VanDerWaalsContact O-N 3.09Å; K267-L270 PolarHBondContact O-N 3.02Å; A268-L270 VanDerWaalsContact C-N 3.34Å; A268-L270 PolarHBondContact O-N 3.23Å; L270-L273 PolarHBondContact O-N 3.46Å; L270-V274 WeakPolarHBondContact O-CG2 3.49Å; L270-V274 PolarHBondContact O-N 2.95Å |
| 271 | L | 93.5 | Very high | 92.2 | Very high | 37 Ų | 37 | 48.6 Ų | 48.6 | 19% | 0.194 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.9 | -34.1 | 178.1 | -75.3 | 168.3 | 0 | 0 | 0 | 111.8 | L211 L258 F263 K267 A268 M269 V274 T275 | L211-L271 HydrophobicContact CD1-CB 3.88Å; L211-L271 HydrophobicContact CD1-CD1 4.04Å; L211-L271 HydrophobicContact CD1-CD2 4.1Å; L211-L271 HydrophobicContact CD1-CG 4.23Å; L211-L271 HydrophobicContact CD2-CB 3.85Å; L258-L271 HydrophobicContact CD1-CB 4.45Å; F263-L271 HydrophobicContact CD1-CD1 3.59Å; F263-L271 HydrophobicContact CE1-CD1 3.58Å; F263-L271 HydrophobicContact CG-CD1 4.42Å; F263-L271 HydrophobicContact CZ-CD1 4.39Å; K267-L271 HydrophobicContact CG-CD1 3.93Å; K267-L271 HydrophobicContact CG-CG 4.37Å; K267-L271 WeakPolarHBondContact O-CB 3.42Å; K267-L271 VanDerWaalsContact O-CG 3.24Å; K267-L271 WeakPolarHBondContact O-CG 3.44Å; K267-L271 PolarHBondContact O-N 3.29Å; A268-L271 PolarHBondContact O-N 3.41Å; A268-L271 VanDerWaalsContact O-N 3.1Å; M269-L271 VanDerWaalsContact C-N 3.34Å; L271-V274 WeakPolarHBondContact O-CB 3.28Å; L271-V274 PolarHBondContact O-N 3.18Å; L271-T275 PolarHBondContact O-N 3.32Å |
| 272 | Q | 92.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.7 | -38.8 | 172.1 | -61.7 | -170.9 | 149.3 | 0 | 0 | 111.8 | E251 Y255 L258 A268 M269 V274 T275 | E251-Q272 PolarHBondContact O-NE2 2.83Å; E251-Q272 PolarHBondContact O-OE1 3.5Å; E251-Q272 VanDerWaalsContact O-OE1 3.11Å; E251-Q272 WeakPolarHBondContact OE2-CB 3.39Å; E251-Q272 PolarHBondContact OE2-NE2 2.77Å; Y255-Q272 VanDerWaalsContact CA-OE1 3.29Å; L258-Q272 HydrophobicContact CD1-CG 3.71Å; A268-Q272 PolarHBondContact O-N 2.98Å; A268-Q272 VanDerWaalsContact O-N 3.09Å; M269-Q272 PolarHBondContact O-N 3.22Å; Q272-V274 PolarHBondContact O-N 3.4Å; Q272-T275 PolarHBondContact O-N 2.81Å; Q272-T275 PolarHBondContact O-OG1 3.08Å |
| 273 | L | 90.5 | Very high | 92.4 | Very high | 72 Ų | 72 | 45.8 Ų | 45.8 | 38% | 0.377 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.8 | -21.5 | 172.6 | -168.9 | 62.8 | 0 | 0 | 0 | 113 | F74 M269 L270 A276 | F74-L273 HydrophobicContact CD2-CB 4.41Å; F74-L273 HydrophobicContact CD2-CD2 4.44Å; F74-L273 HydrophobicContact CE2-CD2 4.44Å; M269-L273 PolarHBondContact O-N 3.03Å; M269-L273 VanDerWaalsContact O-N 3.09Å; L270-L273 PolarHBondContact O-N 3.46Å; L273-A276 WeakPolarHBondContact O-CB 3.28Å |
| 274 | V | 92.3 | Very high | 92.4 | Very high | 90 Ų | 90 | 46.6 Ų | 46.6 | 55% | 0.545 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -75.7 | -29.9 | 173.4 | 171.7 | 0 | 0 | 0 | 0 | 111.9 | L270 L271 Q272 A276 V277 | L270-V274 WeakPolarHBondContact O-CG2 3.49Å; L270-V274 PolarHBondContact O-N 2.95Å; L271-V274 WeakPolarHBondContact O-CB 3.28Å; L271-V274 PolarHBondContact O-N 3.18Å; Q272-V274 PolarHBondContact O-N 3.4Å; V274-A276 VanDerWaalsContact C-N 3.25Å; V274-A276 PolarHBondContact O-N 2.97Å; V274-V277 WeakPolarHBondContact O-CB 3.45Å; V274-V277 WeakPolarHBondContact O-CG2 3.34Å; V274-V277 PolarHBondContact O-N 3.4Å |
| 275 | T | 93.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.2 | -24 | 178.7 | 58.1 | 0 | 0 | 0 | 0 | 112 | L211 D214 F215 L271 Q272 V277 G278 | L211-T275 HydrophobicContact CB-CG2 4.21Å; L211-T275 HydrophobicContact CD2-CG2 3.76Å; L211-T275 WeakPolarHBondContact O-CG2 3.17Å; D214-T275 HydrophobicContact CB-CG2 4.2Å; D214-T275 VanDerWaalsContact OD2-CB 3.24Å; D214-T275 WeakPolarHBondContact OD2-CB 3.45Å; D214-T275 WeakPolarHBondContact OD2-CG2 3.31Å; D214-T275 PolarHBondContact OD2-OG1 3.36Å; F215-T275 HydrophobicContact CB-CG2 4.24Å; L271-T275 PolarHBondContact O-N 3.32Å; Q272-T275 PolarHBondContact O-N 2.81Å; Q272-T275 PolarHBondContact O-OG1 3.08Å; T275-V277 PolarHBondContact O-N 3.38Å; T275-G278 WeakPolarHBondContact O-CA 3.48Å; T275-G278 PolarHBondContact O-N 3.48Å |
| 276 | A | 91.4 | Very high | 92 | Very high | 9 Ų | 9 | 44.2 Ų | 44.2 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.2 | -22.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S70 L273 V274 G278 A279 L280 | S70-A276 WeakPolarHBondContact OG-CB 3.48Å; L273-A276 WeakPolarHBondContact O-CB 3.28Å; V274-A276 VanDerWaalsContact C-N 3.25Å; V274-A276 PolarHBondContact O-N 2.97Å; A276-G278 PolarHBondContact O-N 3.47Å; A276-A279 PolarHBondContact O-N 3.5Å; A276-L280 PolarHBondContact O-N 2.91Å; A276-L280 VanDerWaalsContact O-N 3.16Å |
| 277 | V | 94 | Very high | 91.9 | Very high | 70 Ų | 70 | 34.5 Ų | 34.5 | 42% | 0.424 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.9 | -33.3 | 171.4 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | F215 V274 T275 L280 L281 | F215-V277 HydrophobicContact CE2-CB 4.32Å; F215-V277 HydrophobicContact CE2-CG1 4.37Å; V274-V277 WeakPolarHBondContact O-CB 3.45Å; V274-V277 WeakPolarHBondContact O-CG2 3.34Å; V274-V277 PolarHBondContact O-N 3.4Å; T275-V277 PolarHBondContact O-N 3.38Å; V277-L280 PolarHBondContact O-N 3.48Å; V277-L281 HydrophobicContact CG1-CD1 4.03Å; V277-L281 HydrophobicContact CG1-CG 4.26Å; V277-L281 VanDerWaalsContact O-CG 3.27Å; V277-L281 WeakPolarHBondContact O-CG 3.36Å; V277-L281 PolarHBondContact O-N 3.23Å |
| 278 | G | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -54.3 | -52.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F215 F219 T275 A276 L280 L281 G282 | F215-G278 VanDerWaalsContact CE2-CA 3.49Å; F215-G278 VanDerWaalsContact CE2-N 3.34Å; F219-G278 VanDerWaalsContact CA-C 3.47Å; F219-G278 VanDerWaalsContact CA-O 3.3Å; F219-G278 WeakPolarHBondContact CA-O 3.47Å; F219-G278 WeakPolarHBondContact CD2-O 3.13Å; T275-G278 WeakPolarHBondContact O-CA 3.48Å; T275-G278 PolarHBondContact O-N 3.48Å; A276-G278 PolarHBondContact O-N 3.47Å; G278-L280 PolarHBondContact O-N 3.29Å; G278-L281 WeakPolarHBondContact O-CB 3.42Å; G278-L281 PolarHBondContact O-N 2.94Å; G278-L281 VanDerWaalsContact O-N 3.11Å; G278-G282 PolarHBondContact O-N 3.07Å |
| 279 | A | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.9 | -38.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V66 I69 N218 G222 A276 L281 G282 S283 | V66-A279 HydrophobicContact CG1-CB 3.64Å; I69-A279 HydrophobicContact CD1-CB 4.48Å; N218-A279 HydrophobicContact CB-CB 4.19Å; N218-A279 WeakPolarHBondContact O-CA 3.39Å; N218-A279 WeakPolarHBondContact O-CB 3.42Å; N218-A279 PolarHBondContact O-N 3.29Å; G222-A279 VanDerWaalsContact CA-O 3.29Å; G222-A279 WeakPolarHBondContact CA-O 3.45Å; A276-A279 PolarHBondContact O-N 3.5Å; A279-L281 VanDerWaalsContact C-N 3.35Å; A279-G282 PolarHBondContact O-N 2.96Å; A279-S283 WeakPolarHBondContact O-CB 3.46Å; A279-S283 PolarHBondContact O-N 3.46Å; A279-S283 PolarHBondContact O-OG 2.97Å |
| 280 | L | 95.5 | Very high | 90.4 | Very high | 67 Ų | 67 | 34.4 Ų | 34.4 | 35% | 0.351 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.1 | -40.6 | 173.5 | -72.5 | 172.5 | 0 | 0 | 0 | 111.9 | F63 V66 A276 V277 G278 S283 S284 | F63-L280 HydrophobicContact CD1-CD2 4.27Å; F63-L280 HydrophobicContact CG-CD2 4.38Å; V66-L280 HydrophobicContact CB-CD2 4.07Å; V66-L280 HydrophobicContact CG1-CD2 3.57Å; V66-L280 HydrophobicContact CG1-CG 3.74Å; A276-L280 PolarHBondContact O-N 2.91Å; A276-L280 VanDerWaalsContact O-N 3.16Å; V277-L280 PolarHBondContact O-N 3.48Å; G278-L280 PolarHBondContact O-N 3.29Å; L280-S283 WeakPolarHBondContact CA-OG 3.31Å; L280-S283 PolarHBondContact O-OG 2.93Å; L280-S284 VanDerWaalsContact O-CB 3.29Å; L280-S284 WeakPolarHBondContact O-CB 3.43Å; L280-S284 PolarHBondContact O-N 2.85Å; L280-S284 PolarHBondContact O-OG 2.76Å |
| 281 | L | 93.6 | Very high | 89.8 | Confident | 85 Ų | 85 | 35.7 Ų | 35.7 | 45% | 0.445 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.7 | -44.9 | 176.7 | -69.8 | 173.8 | 0 | 0 | 0 | 111.4 | F215 F219 V277 G278 A279 S284 V285 | F215-L281 HydrophobicContact CE2-CD1 4.49Å; F215-L281 HydrophobicContact CZ-CD1 3.99Å; F219-L281 HydrophobicContact CD2-CB 4.01Å; F219-L281 HydrophobicContact CE2-CB 4.16Å; V277-L281 HydrophobicContact CG1-CD1 4.03Å; V277-L281 HydrophobicContact CG1-CG 4.26Å; V277-L281 VanDerWaalsContact O-CG 3.27Å; V277-L281 WeakPolarHBondContact O-CG 3.36Å; V277-L281 PolarHBondContact O-N 3.23Å; G278-L281 WeakPolarHBondContact O-CB 3.42Å; G278-L281 PolarHBondContact O-N 2.94Å; G278-L281 VanDerWaalsContact O-N 3.11Å; A279-L281 VanDerWaalsContact C-N 3.35Å; L281-S284 PolarHBondContact O-N 2.95Å; L281-V285 WeakPolarHBondContact O-CB 3.49Å; L281-V285 VanDerWaalsContact O-CG2 3.26Å; L281-V285 WeakPolarHBondContact O-CG2 3.09Å; L281-V285 PolarHBondContact O-N 3.23Å |
| 282 | G | 91.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.2 | -48.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F219 L223 G278 A279 S284 V285 S286 | F219-G282 VanDerWaalsContact CD2-CA 3.48Å; F219-G282 VanDerWaalsContact CD2-N 3.33Å; F219-G282 VanDerWaalsContact CE2-CA 3.46Å; F219-G282 WeakPolarHBondContact O-CA 3.2Å; L223-G282 WeakPolarHBondContact CD2-O 3.41Å; G278-G282 PolarHBondContact O-N 3.07Å; A279-G282 PolarHBondContact O-N 2.96Å; G282-S284 PolarHBondContact O-N 3.35Å; G282-V285 PolarHBondContact O-N 3.08Å; G282-S286 PolarHBondContact O-N 2.92Å |
| 283 | S | 92.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.4 | -40.5 | 177 | 56.1 | 0 | 0 | 0 | 0 | 112.6 | G222 A279 L280 V285 S286 L287 | G222-S283 WeakPolarHBondContact O-CA 3.41Å; G222-S283 VanDerWaalsContact O-CB 3.31Å; G222-S283 WeakPolarHBondContact O-CB 3.29Å; G222-S283 PolarHBondContact O-N 3.11Å; A279-S283 WeakPolarHBondContact O-CB 3.46Å; A279-S283 PolarHBondContact O-N 3.46Å; A279-S283 PolarHBondContact O-OG 2.97Å; L280-S283 WeakPolarHBondContact CA-OG 3.31Å; L280-S283 PolarHBondContact O-OG 2.93Å; S283-V285 PolarHBondContact O-N 3.35Å; S283-S286 WeakPolarHBondContact O-CB 3.33Å; S283-S286 PolarHBondContact O-N 3.48Å; S283-L287 WeakPolarHBondContact O-CG 3.24Å; S283-L287 PolarHBondContact O-N 3.3Å |
| 284 | S | 91.2 | Very high | 88.5 | Confident | 25 Ų | 25 | 35.2 Ų | 35.2 | 18% | 0.175 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.5 | -45.5 | 174.2 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | F63 L280 L281 G282 S286 L287 L288 | F63-S284 WeakPolarHBondContact CZ-OG 3.4Å; L280-S284 VanDerWaalsContact O-CB 3.29Å; L280-S284 WeakPolarHBondContact O-CB 3.43Å; L280-S284 PolarHBondContact O-N 2.85Å; L280-S284 PolarHBondContact O-OG 2.76Å; L281-S284 PolarHBondContact O-N 2.95Å; G282-S284 PolarHBondContact O-N 3.35Å; S284-S286 VanDerWaalsContact C-N 3.32Å; S284-S286 PolarHBondContact O-N 3.37Å; S284-L287 PolarHBondContact O-N 2.96Å; S284-L288 WeakPolarHBondContact O-CB 3.5Å; S284-L288 WeakPolarHBondContact O-CG 3.44Å; S284-L288 PolarHBondContact O-N 3.21Å |
| 285 | V | 87.7 | Confident | 87.7 | Confident | 23 Ų | 23 | 31.7 Ų | 31.7 | 14% | 0.139 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.2 | -44.1 | 177.6 | 167.3 | 0 | 0 | 0 | 0 | 110.8 | F219 L223 L281 G282 S283 L288 A289 V307 | F219-V285 HydrophobicContact CE2-CG2 4.35Å; L223-V285 HydrophobicContact CD2-CB 4.11Å; L223-V285 HydrophobicContact CD2-CG1 3.87Å; L281-V285 WeakPolarHBondContact O-CB 3.49Å; L281-V285 VanDerWaalsContact O-CG2 3.26Å; L281-V285 WeakPolarHBondContact O-CG2 3.09Å; L281-V285 PolarHBondContact O-N 3.23Å; G282-V285 PolarHBondContact O-N 3.08Å; S283-V285 PolarHBondContact O-N 3.35Å; V285-L288 PolarHBondContact O-N 3.07Å; V285-A289 VanDerWaalsContact O-CB 3.24Å; V285-A289 WeakPolarHBondContact O-CB 3.16Å; V285-A289 PolarHBondContact O-N 3.21Å; V285-V307 HydrophobicContact CG1-CB 3.5Å; V285-V307 HydrophobicContact CG1-CG1 3.59Å; V285-V307 HydrophobicContact CG1-CG2 3.65Å |
| 286 | S | 85.9 | Confident | 86.5 | Confident | 15 Ų | 15 | 37.1 Ų | 37.1 | 11% | 0.105 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.2 | -49.9 | 177.4 | -172.8 | 0 | 0 | 0 | 0 | 112.2 | L223 G226 G227 G282 S283 S284 L288 A289 A290 | L223-S286 PolarHBondContact O-OG 3.03Å; G226-S286 VanDerWaalsContact C-OG 3.22Å; G227-S286 WeakPolarHBondContact CA-OG 3.43Å; G227-S286 PolarHBondContact N-OG 2.96Å; G282-S286 PolarHBondContact O-N 2.92Å; S283-S286 WeakPolarHBondContact O-CB 3.33Å; S283-S286 PolarHBondContact O-N 3.48Å; S284-S286 VanDerWaalsContact C-N 3.32Å; S284-S286 PolarHBondContact O-N 3.37Å; S286-L288 PolarHBondContact O-N 3.33Å; S286-A289 PolarHBondContact O-N 3.37Å; S286-A290 PolarHBondContact O-N 3.23Å; S286-A290 VanDerWaalsContact O-N 3.09Å |
| 287 | L | 87.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.2 | -39 | 179.8 | -63.9 | -178.6 | 0 | 0 | 0 | 112.8 | L58 W59 V62 L230 S283 S284 A290 R291 V292 | L58-L287 HydrophobicContact CD2-CD2 3.8Å; L58-L287 HydrophobicContact CG-CD2 4.07Å; W59-L287 HydrophobicContact CD2-CB 4.46Å; W59-L287 HydrophobicContact CD2-CD1 3.5Å; W59-L287 VanDerWaalsContact CD2-CD1 3.5Å; W59-L287 HydrophobicContact CE3-CD1 3.44Å; W59-L287 VanDerWaalsContact CE3-CD1 3.44Å; W59-L287 HydrophobicContact CG-CD1 4.07Å; W59-L287 HydrophobicContact CH2-CB 3.71Å; W59-L287 HydrophobicContact CH2-CD1 4.06Å; W59-L287 HydrophobicContact CH2-CG 4.5Å; W59-L287 HydrophobicContact CZ2-CB 3.54Å; W59-L287 HydrophobicContact CZ2-CD1 4.11Å; W59-L287 HydrophobicContact CZ3-CB 4.23Å; W59-L287 HydrophobicContact CZ3-CD1 3.73Å; V62-L287 HydrophobicContact CB-CD1 3.99Å; V62-L287 HydrophobicContact CG1-CD1 3.99Å; V62-L287 HydrophobicContact CG2-CD1 4.08Å; V62-L287 HydrophobicContact CG2-CD2 4.16Å; L230-L287 HydrophobicContact CD1-CD2 4.2Å; L230-L287 HydrophobicContact CD2-CD2 4.1Å; L230-L287 HydrophobicContact CG-CD2 3.98Å; S283-L287 WeakPolarHBondContact O-CG 3.24Å; S283-L287 PolarHBondContact O-N 3.3Å; S284-L287 PolarHBondContact O-N 2.96Å; L287-A290 CarbonylContact O-C 3.6Å; L287-A290 PolarHBondContact O-N 2.82Å; L287-R291 PolarHBondContact O-N 3.42Å; L287-V292 HydrophobicContact CB-CB 4.18Å; L287-V292 HydrophobicContact CB-CG2 4.17Å; L287-V292 HydrophobicContact CD2-CG2 4.04Å; L287-V292 WeakPolarHBondContact O-CB 3.49Å; L287-V292 WeakPolarHBondContact O-CG2 3.24Å; L287-V292 PolarHBondContact O-N 2.79Å |
| 288 | L | 86.2 | Confident | 84.6 | Confident | 29 Ų | 29 | 42.8 Ų | 42.8 | 15% | 0.152 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.6 | -40 | 176.4 | -69.1 | 172 | 0 | 0 | 0 | 111.9 | W59 S284 V285 S286 A290 R291 I294 F299 L304 | W59-L288 HydrophobicContact CH2-CD2 4.27Å; W59-L288 HydrophobicContact CH2-CG 4.02Å; W59-L288 HydrophobicContact CZ2-CD2 4.02Å; W59-L288 HydrophobicContact CZ2-CG 4.16Å; S284-L288 WeakPolarHBondContact O-CB 3.5Å; S284-L288 WeakPolarHBondContact O-CG 3.44Å; S284-L288 PolarHBondContact O-N 3.21Å; V285-L288 PolarHBondContact O-N 3.07Å; S286-L288 PolarHBondContact O-N 3.33Å; L288-A290 VanDerWaalsContact C-N 3.26Å; L288-A290 PolarHBondContact O-N 3.47Å; L288-R291 WeakPolarHBondContact O-CA 3.36Å; L288-R291 PolarHBondContact O-N 3.42Å; L288-I294 HydrophobicContact CD2-CD1 4.38Å; L288-F299 HydrophobicContact CD2-CB 4.25Å; L288-F299 HydrophobicContact CD2-CD1 4.16Å; L288-F299 HydrophobicContact CD2-CD2 3.32Å; L288-F299 HydrophobicContact CD2-CE1 4.37Å; L288-F299 HydrophobicContact CD2-CE2 3.6Å; L288-F299 HydrophobicContact CD2-CG 3.64Å; L288-F299 HydrophobicContact CD2-CZ 4.11Å; L288-L304 HydrophobicContact CB-CD1 4.22Å; L288-L304 HydrophobicContact CD1-CD1 3.87Å |
| 289 | A | 79.2 | Confident | 83.4 | Confident | 43 Ų | 43 | 45.7 Ų | 45.7 | 36% | 0.355 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V285 S286 R291 | V285-A289 VanDerWaalsContact O-CB 3.24Å; V285-A289 WeakPolarHBondContact O-CB 3.16Å; V285-A289 PolarHBondContact O-N 3.21Å; S286-A289 PolarHBondContact O-N 3.37Å; A289-R291 PolarHBondContact O-N 2.9Å |
| 290 | A | 79.6 | Confident | 81.9 | Confident | 48 Ų | 48 | 50.4 Ų | 50.4 | 40% | 0.397 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 2.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L230 S286 L287 L288 V292 | L230-A290 HydrophobicContact CD1-CB 3.33Å; L230-A290 HydrophobicContact CD2-CB 3.49Å; L230-A290 VanDerWaalsContact CD2-CB 3.49Å; L230-A290 HydrophobicContact CG-CB 4.04Å; S286-A290 PolarHBondContact O-N 3.23Å; S286-A290 VanDerWaalsContact O-N 3.09Å; L287-A290 CarbonylContact O-C 3.6Å; L287-A290 PolarHBondContact O-N 2.82Å; L288-A290 VanDerWaalsContact C-N 3.26Å; L288-A290 PolarHBondContact O-N 3.47Å; A290-V292 HydrophobicContact CB-CG2 4.24Å; A290-V292 PolarHBondContact O-N 3.35Å |
| 291 | R | 81.2 | Confident | 80.2 | Confident | 131 Ų | 131 | 48.4 Ų | 48.4 | 49% | 0.494 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 33.3 | -179.4 | -52.8 | 178.9 | 179.7 | 80.7 | -4.7 | 113.4 | L287 L288 A289 S293 A301 | L287-R291 PolarHBondContact O-N 3.42Å; L288-R291 WeakPolarHBondContact O-CA 3.36Å; L288-R291 PolarHBondContact O-N 3.42Å; A289-R291 PolarHBondContact O-N 2.9Å; R291-S293 PolarHBondContact O-N 2.86Å; R291-A301 HydrophobicContact CG-CB 4.4Å; R291-A301 VanDerWaalsContact NE-CB 3.31Å |
| 292 | V | 83.1 | Confident | 78.5 | Confident | 10 Ų | 10 | 50.6 Ų | 50.6 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | trans | -64.1 | 122.7 | 171.9 | -175.5 | 0 | 0 | 0 | 0 | 108 | L58 W59 L230 L287 A290 | L58-V292 HydrophobicContact CD2-CG1 4.13Å; L58-V292 HydrophobicContact CD2-CG2 3.8Å; W59-V292 VanDerWaalsContact NE1-CG1 3.33Å; L230-V292 HydrophobicContact CD2-CG2 3.58Å; L287-V292 HydrophobicContact CB-CB 4.18Å; L287-V292 HydrophobicContact CB-CG2 4.17Å; L287-V292 HydrophobicContact CD2-CG2 4.04Å; L287-V292 WeakPolarHBondContact O-CB 3.49Å; L287-V292 WeakPolarHBondContact O-CG2 3.24Å; L287-V292 PolarHBondContact O-N 2.79Å; A290-V292 HydrophobicContact CB-CG2 4.24Å; A290-V292 PolarHBondContact O-N 3.35Å | ||
| 293 | S | 82.2 | Confident | 77 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 12% | 0.119 | 32% | 0.323 | C | S | . | . | trans | -73 | 143 | -175.3 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | W59 R291 I297 | W59-S293 PolarHBondContact NE1-O 3.04Å; R291-S293 PolarHBondContact O-N 2.86Å; S293-I297 WeakPolarHBondContact CA-O 3.48Å | ||
| 294 | I | 82.2 | Confident | 75.4 | Confident | 73 Ų | 73 | 59.6 Ų | 59.6 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -105.6 | 97.4 | 171.1 | -57.1 | -179.3 | 0 | 0 | 0 | 107.1 | W59 L288 I297 F299 | W59-I294 HydrophobicContact CD2-CG1 4.34Å; W59-I294 HydrophobicContact CH2-CD1 4.04Å; W59-I294 HydrophobicContact CZ2-CD1 3.64Å; W59-I294 HydrophobicContact CZ2-CG1 3.72Å; L288-I294 HydrophobicContact CD2-CD1 4.38Å; I294-I297 PolarHBondContact N-O 3.17Å; I294-I297 WeakPolarHBondContact O-CB 3.48Å; I294-I297 PolarHBondContact O-N 3.28Å; I294-I297 VanDerWaalsContact O-N 3.08Å; I294-F299 HydrophobicContact CB-CE2 4.19Å; I294-F299 HydrophobicContact CD1-CE2 3.67Å; I294-F299 HydrophobicContact CD1-CZ 4.24Å; I294-F299 HydrophobicContact CG1-CE2 3.88Å |
| 295 | G | 75.5 | Confident | 73.7 | Confident | 16 Ų | 16 | 62.5 Ų | 62.5 | 17% | 0.165 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | -130.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E56 I297 | E56-G295 WeakPolarHBondContact OE1-CA 3.43Å; G295-I297 PolarHBondContact O-N 3.35Å |
| 296 | P | 69.2 | Low | 72.2 | Confident | 119 Ų | 119 | 66.4 Ų | 66.4 | 77% | 0.773 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -6.3 | 178.2 | 32.5 | -33.8 | 0 | 0 | 0 | 113.5 | ||
| 297 | I | 73.3 | Confident | 71.1 | Confident | 97 Ų | 97 | 67 Ų | 67 | 50% | 0.497 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -90.2 | 115 | -175.4 | -55.7 | 172.2 | 0 | 0 | 0 | 108.8 | S293 I294 G295 F299 | S293-I297 WeakPolarHBondContact CA-O 3.48Å; I294-I297 PolarHBondContact N-O 3.17Å; I294-I297 WeakPolarHBondContact O-CB 3.48Å; I294-I297 PolarHBondContact O-N 3.28Å; I294-I297 VanDerWaalsContact O-N 3.08Å; G295-I297 PolarHBondContact O-N 3.35Å; I297-F299 HydrophobicContact CG2-CD2 4.33Å; I297-F299 HydrophobicContact CG2-CE1 4.48Å; I297-F299 HydrophobicContact CG2-CE2 3.94Å; I297-F299 HydrophobicContact CG2-CZ 4.03Å |
| 298 | V | 70.4 | Confident | 70.3 | Confident | 100 Ų | 100 | 70 Ų | 70 | 61% | 0.606 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -98.4 | 123 | 167.9 | -173.1 | 0 | 0 | 0 | 0 | 107.5 | ||
| 299 | F | 69.7 | Low | 69.6 | Low | 61 Ų | 61 | 74.7 Ų | 74.7 | 27% | 0.268 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 123.2 | 175.7 | -71.1 | -89.4 | 0 | 0 | 0 | 109.9 | L288 I294 I297 | L288-F299 HydrophobicContact CD2-CB 4.25Å; L288-F299 HydrophobicContact CD2-CD1 4.16Å; L288-F299 HydrophobicContact CD2-CD2 3.32Å; L288-F299 HydrophobicContact CD2-CE1 4.37Å; L288-F299 HydrophobicContact CD2-CE2 3.6Å; L288-F299 HydrophobicContact CD2-CG 3.64Å; L288-F299 HydrophobicContact CD2-CZ 4.11Å; I294-F299 HydrophobicContact CB-CE2 4.19Å; I294-F299 HydrophobicContact CD1-CE2 3.67Å; I294-F299 HydrophobicContact CD1-CZ 4.24Å; I294-F299 HydrophobicContact CG1-CE2 3.88Å; I297-F299 HydrophobicContact CG2-CD2 4.33Å; I297-F299 HydrophobicContact CG2-CE1 4.48Å; I297-F299 HydrophobicContact CG2-CE2 3.94Å; I297-F299 HydrophobicContact CG2-CZ 4.03Å |
| 300 | D | 63.6 | Low | 69.3 | Low | 99 Ų | 99 | 78.1 Ų | 78.1 | 53% | 0.529 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 128.4 | 171.4 | -160.5 | -14.1 | 0 | 0 | 0 | 108.8 | N302 I303 | D300-N302 PolarHBondContact O-N 3.47Å; D300-I303 PolarHBondContact O-N 2.88Å |
| 301 | A | 58.6 | Low | 69.2 | Low | 25 Ų | 25 | 79 Ų | 79 | 21% | 0.207 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -63.8 | -15.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R291 I303 L304 | R291-A301 HydrophobicContact CG-CB 4.4Å; R291-A301 VanDerWaalsContact NE-CB 3.31Å; A301-I303 PolarHBondContact O-N 3.45Å; A301-L304 CarbonylContact O-C 3.57Å; A301-L304 PolarHBondContact O-N 3.06Å |
| 302 | N | 59.3 | Low | 68.9 | Low | 131 Ų | 131 | 73.6 Ų | 73.6 | 70% | 0.701 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -64 | -15.1 | 173.6 | -65.6 | -37.6 | 0 | 0 | 0 | 113.2 | D300 P305 | D300-N302 PolarHBondContact O-N 3.47Å; N302-P305 WeakPolarHBondContact O-CD 3.27Å |
| 303 | I | 58.6 | Low | 68.7 | Low | 131 Ų | 131 | 74.7 Ų | 74.7 | 67% | 0.672 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -84.9 | -26.7 | 177.6 | -58.5 | -171.4 | 0 | 0 | 0 | 112.3 | D300 A301 | D300-I303 PolarHBondContact O-N 2.88Å; A301-I303 PolarHBondContact O-N 3.45Å |
| 304 | L | 59.6 | Low | 68.5 | Low | 59 Ų | 59 | 74.4 Ų | 74.4 | 31% | 0.309 | 42% | 0.422 | S | S | . | . | trans | -128.1 | 48 | -178.3 | -103.1 | 139.6 | 0 | 0 | 0 | 114 | L288 A301 V306 | L288-L304 HydrophobicContact CB-CD1 4.22Å; L288-L304 HydrophobicContact CD1-CD1 3.87Å; A301-L304 CarbonylContact O-C 3.57Å; A301-L304 PolarHBondContact O-N 3.06Å; L304-V306 PolarHBondContact O-N 2.91Å | ||
| 305 | P | 54.9 | Low | 68.6 | Low | 86 Ų | 86 | 72.4 Ų | 72.4 | 56% | 0.558 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 0.6 | 177.3 | 30.8 | -35.3 | 0 | 0 | 0 | 113.9 | N302 | N302-P305 WeakPolarHBondContact O-CD 3.27Š|
| 306 | V | 56.8 | Low | 69 | Low | 105 Ų | 105 | 73.1 Ų | 73.1 | 64% | 0.636 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -17.1 | -168.3 | 173.6 | 0 | 0 | 0 | 0 | 113.5 | L304 I311 | L304-V306 PolarHBondContact O-N 2.91Å; V306-I311 WeakPolarHBondContact O-CD1 3.13Å |
| 307 | V | 63.2 | Low | 69.9 | Low | 28 Ų | 28 | 68.3 Ų | 68.3 | 17% | 0.17 | 38% | 0.382 | C | S | . | . | trans | -121.9 | 82 | -177.6 | -168.5 | 0 | 0 | 0 | 0 | 109.6 | L223 V285 V312 | L223-V307 HydrophobicContact CD2-CG1 4.33Å; V285-V307 HydrophobicContact CG1-CB 3.5Å; V285-V307 HydrophobicContact CG1-CG1 3.59Å; V285-V307 HydrophobicContact CG1-CG2 3.65Å; V307-V312 HydrophobicContact CG1-CG2 3.31Å | ||
| 308 | T | 70.5 | Confident | 70.8 | Confident | 63 Ų | 63 | 63.7 Ų | 63.7 | 39% | 0.387 | 36% | 0.358 | S | S | . | . | trans | -85.9 | 157.2 | 167 | 59.1 | 0 | 0 | 0 | 0 | 109.9 | D310 I311 V312 | T308-D310 PolarHBondContact O-N 3.2Å; T308-D310 VanDerWaalsContact O-N 3.14Å; T308-I311 PolarHBondContact O-N 3.01Å; T308-I311 PolarHBondContact OG1-N 3.36Å; T308-V312 PolarHBondContact O-N 3.01Å | ||
| 309 | D | 70.7 | Confident | 71.7 | Confident | 126 Ų | 126 | 61.8 Ų | 61.8 | 67% | 0.674 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -52.8 | -35.6 | 174 | -61.9 | -20.6 | 0 | 0 | 0 | 111.2 | I311 V312 I313 | D309-I311 VanDerWaalsContact C-N 3.33Å; D309-I311 PolarHBondContact O-N 3.26Å; D309-V312 PolarHBondContact O-N 2.95Å; D309-I313 HydrophobicContact CB-CD1 4.27Å; D309-I313 VanDerWaalsContact O-CB 3.25Å; D309-I313 WeakPolarHBondContact O-CB 3.41Å; D309-I313 VanDerWaalsContact O-CG1 3.25Å; D309-I313 WeakPolarHBondContact O-CG1 3.41Å; D309-I313 PolarHBondContact O-N 3.48Å |
| 310 | D | 73.1 | Confident | 72.7 | Confident | 116 Ų | 116 | 59 Ų | 59 | 62% | 0.62 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61 | -36.9 | 174.9 | -66.5 | -46.7 | 0 | 0 | 0 | 113.5 | T308 G314 | T308-D310 PolarHBondContact O-N 3.2Å; T308-D310 VanDerWaalsContact O-N 3.14Å; D310-G314 WeakPolarHBondContact O-CA 3.45Å; D310-G314 PolarHBondContact O-N 3.41Å |
| 311 | I | 78.3 | Confident | 74.1 | Confident | 65 Ų | 65 | 54.3 Ų | 54.3 | 33% | 0.333 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -76 | -44.7 | 178 | -68.8 | 169.7 | 0 | 0 | 0 | 110 | V306 T308 D309 C315 I316 | V306-I311 WeakPolarHBondContact O-CD1 3.13Å; T308-I311 PolarHBondContact O-N 3.01Å; T308-I311 PolarHBondContact OG1-N 3.36Å; D309-I311 VanDerWaalsContact C-N 3.33Å; D309-I311 PolarHBondContact O-N 3.26Å; I311-C315 WeakPolarHBondContact O-CA 3.38Å; I311-C315 WeakPolarHBondContact O-CB 3.34Å; I311-C315 PolarHBondContact O-N 3.06Å; I311-I316 HydrophobicContact CG2-CD1 4.3Å; I311-I316 HydrophobicContact CG2-CG1 4.32Å; I311-I316 PolarHBondContact O-N 3.05Å |
| 312 | V | 74 | Confident | 75.8 | Confident | 19 Ų | 19 | 53.1 Ų | 53.1 | 12% | 0.115 | 30% | 0.295 | C | S | . | . | I | π-helix | trans | -60.5 | -55.4 | 178.7 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | L223 V307 T308 D309 I316 L317 | L223-V312 HydrophobicContact CD1-CB 4.31Å; L223-V312 HydrophobicContact CD1-CG1 3.68Å; L223-V312 HydrophobicContact CD1-CG2 3.64Å; L223-V312 HydrophobicContact CD2-CG2 4.34Å; V307-V312 HydrophobicContact CG1-CG2 3.31Å; T308-V312 PolarHBondContact O-N 3.01Å; D309-V312 PolarHBondContact O-N 2.95Å; V312-I316 HydrophobicContact CG2-CD1 4.44Å; V312-I316 WeakPolarHBondContact O-CB 3.43Å; V312-I316 PolarHBondContact O-N 3.45Å; V312-I316 VanDerWaalsContact O-N 3.16Å; V312-L317 PolarHBondContact O-N 3.17Å |
| 313 | I | 78 | Confident | 77.3 | Confident | 32 Ų | 32 | 46.9 Ų | 46.9 | 16% | 0.164 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -77.1 | -41.1 | -172.3 | -58 | 171.3 | 0 | 0 | 0 | 111 | A113 S116 D309 L317 P318 | A113-I313 VanDerWaalsContact CB-O 3.22Å; A113-I313 WeakPolarHBondContact CB-O 3.41Å; S116-I313 VanDerWaalsContact OG-CG2 3.28Å; S116-I313 WeakPolarHBondContact OG-CG2 3.44Å; D309-I313 HydrophobicContact CB-CD1 4.27Å; D309-I313 VanDerWaalsContact O-CB 3.25Å; D309-I313 WeakPolarHBondContact O-CB 3.41Å; D309-I313 VanDerWaalsContact O-CG1 3.25Å; D309-I313 WeakPolarHBondContact O-CG1 3.41Å; D309-I313 PolarHBondContact O-N 3.48Å; I313-L317 HydrophobicContact CG2-CD1 4.46Å; I313-P318 WeakPolarHBondContact O-CD 3.44Å |
| 314 | G | 78.1 | Confident | 79 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -86 | -16.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | Y144 D310 | Y144-G314 WeakPolarHBondContact CD2-O 3.19Å; D310-G314 WeakPolarHBondContact O-CA 3.45Å; D310-G314 PolarHBondContact O-N 3.41Å |
| 315 | C | 85.5 | Confident | 80.8 | Confident | 32 Ų | 32 | 39 Ų | 39 | 22% | 0.216 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -128.2 | -55.1 | -176 | 165.8 | 0 | 0 | 0 | 0 | 112.7 | Y144 I311 P318 F319 | Y144-C315 HydrophobicContact CD1-CB 3.94Å; Y144-C315 VanDerWaalsContact CD1-SG 3.52Å; Y144-C315 HydrophobicContact CD2-CB 4.13Å; Y144-C315 HydrophobicContact CE1-CB 3.69Å; Y144-C315 WeakPolarHBondContact CE1-SG 3.31Å; Y144-C315 HydrophobicContact CE2-CB 3.88Å; Y144-C315 HydrophobicContact CG-CB 4.17Å; I311-C315 WeakPolarHBondContact O-CA 3.38Å; I311-C315 WeakPolarHBondContact O-CB 3.34Å; I311-C315 PolarHBondContact O-N 3.06Å; C315-P318 WeakPolarHBondContact O-CD 3.38Å; C315-F319 WeakPolarHBondContact O-CB 3.38Å; C315-F319 PolarHBondContact O-N 3.47Å |
| 316 | I | 84.2 | Confident | 82.7 | Confident | 30 Ų | 30 | 35.6 Ų | 35.6 | 15% | 0.154 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -70.6 | -46.6 | -171.4 | -56.1 | -178.9 | 0 | 0 | 0 | 111.9 | T216 F219 T220 I311 V312 F319 T320 | T216-I316 HydrophobicContact CG2-CG2 4.44Å; F219-I316 HydrophobicContact CD1-CG2 4.35Å; F219-I316 HydrophobicContact CE1-CD1 3.87Å; T220-I316 HydrophobicContact CG2-CB 4.47Å; T220-I316 HydrophobicContact CG2-CG2 3.51Å; I311-I316 HydrophobicContact CG2-CD1 4.3Å; I311-I316 HydrophobicContact CG2-CG1 4.32Å; I311-I316 PolarHBondContact O-N 3.05Å; V312-I316 HydrophobicContact CG2-CD1 4.44Å; V312-I316 WeakPolarHBondContact O-CB 3.43Å; V312-I316 PolarHBondContact O-N 3.45Å; V312-I316 VanDerWaalsContact O-N 3.16Å; I316-F319 PolarHBondContact O-N 2.97Å; I316-T320 WeakPolarHBondContact O-CB 3.41Å; I316-T320 PolarHBondContact O-N 2.72Å; I316-T320 PolarHBondContact O-OG1 3.21Å |
| 317 | L | 87.9 | Confident | 84.4 | Confident | 18 Ų | 18 | 30.6 Ų | 30.6 | 9% | 0.094 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.9 | -52.9 | 177.8 | -67 | 177.1 | 0 | 0 | 0 | 112.4 | L109 H112 T220 V312 I313 F319 T320 A321 | L109-L317 HydrophobicContact CD2-CD2 3.76Å; H112-L317 VanDerWaalsContact CD2-CD1 3.44Å; H112-L317 WeakPolarHBondContact CD2-CD1 3.44Å; T220-L317 HydrophobicContact CG2-CD2 3.74Å; V312-L317 PolarHBondContact O-N 3.17Å; I313-L317 HydrophobicContact CG2-CD1 4.46Å; L317-F319 VanDerWaalsContact C-N 3.31Å; L317-F319 PolarHBondContact O-N 2.77Å; L317-T320 PolarHBondContact O-N 2.81Å; L317-A321 PolarHBondContact O-N 3.35Å |
| 318 | P | 91.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.2 | -36.7 | 177.7 | -2.2 | 4.8 | 0 | 0 | 0 | 112.9 | A113 V141 V145 I313 C315 T320 A321 G322 | A113-P318 HydrophobicContact CB-CG 3.85Å; V141-P318 HydrophobicContact CB-CG 4.33Å; V141-P318 HydrophobicContact CG1-CB 3.96Å; V141-P318 HydrophobicContact CG1-CG 3.99Å; V141-P318 HydrophobicContact CG2-CG 4.26Å; V141-P318 WeakPolarHBondContact O-CB 3.46Å; V145-P318 VanDerWaalsContact CA-O 3.27Å; V145-P318 WeakPolarHBondContact CA-O 3.23Å; V145-P318 HydrophobicContact CG2-CB 3.65Å; V145-P318 WeakPolarHBondContact CG2-O 3.18Å; I313-P318 WeakPolarHBondContact O-CD 3.44Å; C315-P318 WeakPolarHBondContact O-CD 3.38Å; P318-T320 VanDerWaalsContact C-N 3.34Å; P318-T320 PolarHBondContact O-N 3.07Å; P318-A321 WeakPolarHBondContact O-CB 3.24Å; P318-A321 PolarHBondContact O-N 2.85Å; P318-G322 PolarHBondContact O-N 3.12Å |
| 319 | F | 90.4 | Very high | 87.1 | Confident | 60 Ų | 60 | 30.8 Ų | 30.8 | 26% | 0.263 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -60 | -44.6 | 175 | 178.2 | -88.8 | 0 | 0 | 0 | 111.8 | Y144 G148 A151 F152 C315 I316 L317 G322 G323 | Y144-F319 WeakPolarHBondContact O-CA 3.36Å; G148-F319 VanDerWaalsContact CA-CD2 3.45Å; G148-F319 WeakPolarHBondContact CA-O 3.11Å; A151-F319 HydrophobicContact CB-CE2 3.61Å; A151-F319 HydrophobicContact CB-CZ 3.72Å; F152-F319 HydrophobicContact CE2-CE1 4.24Å; F152-F319 HydrophobicContact CE2-CZ 4.45Å; C315-F319 WeakPolarHBondContact O-CB 3.38Å; C315-F319 PolarHBondContact O-N 3.47Å; I316-F319 PolarHBondContact O-N 2.97Å; L317-F319 VanDerWaalsContact C-N 3.31Å; L317-F319 PolarHBondContact O-N 2.77Å; F319-G322 PolarHBondContact O-N 2.78Å; F319-G323 PolarHBondContact O-N 3.2Å |
| 320 | T | 89.4 | Confident | 88.1 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 177.1 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | L109 T216 H217 I316 L317 P318 G322 G323 F324 | L109-T320 HydrophobicContact CD1-CG2 4.12Å; T216-T320 HydrophobicContact CG2-CG2 4.39Å; T216-T320 WeakPolarHBondContact CG2-OG1 3.33Å; H217-T320 HydrophobicContact CB-CG2 3.94Å; I316-T320 WeakPolarHBondContact O-CB 3.41Å; I316-T320 PolarHBondContact O-N 2.72Å; I316-T320 PolarHBondContact O-OG1 3.21Å; L317-T320 PolarHBondContact O-N 2.81Å; P318-T320 VanDerWaalsContact C-N 3.34Å; P318-T320 PolarHBondContact O-N 3.07Å; T320-G322 VanDerWaalsContact C-N 3.26Å; T320-G322 PolarHBondContact O-N 3.15Å; T320-G323 WeakPolarHBondContact O-CA 3.46Å; T320-G323 PolarHBondContact O-N 3.49Å; T320-F324 PolarHBondContact O-N 2.83Å |
| 321 | A | 94 | Very high | 88.7 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.8 | -41.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A105 L109 I110 L317 P318 G323 F324 I325 | A105-A321 HydrophobicContact CB-CB 4Å; L109-A321 HydrophobicContact CB-CB 3.79Å; L109-A321 HydrophobicContact CD1-CB 3.9Å; I110-A321 HydrophobicContact CD1-CB 4.16Å; I110-A321 HydrophobicContact CG1-CB 3.74Å; L317-A321 PolarHBondContact O-N 3.35Å; P318-A321 WeakPolarHBondContact O-CB 3.24Å; P318-A321 PolarHBondContact O-N 2.85Å; A321-G323 PolarHBondContact O-N 2.86Å; A321-F324 PolarHBondContact O-N 3.42Å; A321-I325 WeakPolarHBondContact O-CD1 3.43Å; A321-I325 VanDerWaalsContact O-CG1 3.24Å; A321-I325 WeakPolarHBondContact O-CG1 3.48Å; A321-I325 PolarHBondContact O-N 3.02Å |
| 322 | G | 94.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60 | -42 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V145 I149 P318 F319 T320 Y326 | V145-G322 WeakPolarHBondContact O-CA 3.41Å; I149-G322 WeakPolarHBondContact CG1-O 3.37Å; P318-G322 PolarHBondContact O-N 3.12Å; F319-G322 PolarHBondContact O-N 2.78Å; T320-G322 VanDerWaalsContact C-N 3.26Å; T320-G322 PolarHBondContact O-N 3.15Å; G322-Y326 WeakPolarHBondContact O-CB 3.44Å; G322-Y326 PolarHBondContact O-N 3.19Å |
| 323 | G | 90.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.3 | -46.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F319 T320 A321 Y326 I327 | F319-G323 PolarHBondContact O-N 3.2Å; T320-G323 WeakPolarHBondContact O-CA 3.46Å; T320-G323 PolarHBondContact O-N 3.49Å; A321-G323 PolarHBondContact O-N 2.86Å; G323-Y326 WeakPolarHBondContact O-CB 3.3Å; G323-Y326 PolarHBondContact O-N 3.16Å; G323-I327 WeakPolarHBondContact O-CG1 3.18Å; G323-I327 PolarHBondContact O-N 2.93Å |
| 324 | F | 94 | Very high | 90.7 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 177 | -76.7 | -5.8 | 0 | 0 | 0 | 113.2 | L101 D104 A105 L109 A213 H217 T320 A321 Y326 I327 A328 | L101-F324 HydrophobicContact CB-CB 4.37Å; L101-F324 HydrophobicContact CD2-CB 4.42Å; L101-F324 HydrophobicContact CD2-CD1 3.71Å; L101-F324 HydrophobicContact CD2-CD2 4.14Å; L101-F324 HydrophobicContact CD2-CE1 3.78Å; L101-F324 HydrophobicContact CD2-CE2 4.2Å; L101-F324 HydrophobicContact CD2-CG 3.86Å; L101-F324 HydrophobicContact CD2-CZ 4Å; D104-F324 HydrophobicContact CB-CD2 4.5Å; D104-F324 WeakPolarHBondContact OD2-CD2 3.37Å; D104-F324 WeakPolarHBondContact OD2-CE2 3.4Å; A105-F324 HydrophobicContact CB-CB 4.15Å; L109-F324 HydrophobicContact CD1-CD2 4.03Å; L109-F324 HydrophobicContact CD1-CE2 4.34Å; A213-F324 HydrophobicContact CB-CD1 3.71Å; A213-F324 HydrophobicContact CB-CE1 3.66Å; H217-F324 HydrophobicContact CB-CE1 4.08Å; H217-F324 HydrophobicContact CB-CE2 3.92Å; H217-F324 HydrophobicContact CB-CZ 3.29Å; H217-F324 AromaticContact CD2-CZ 3.85Å; H217-F324 AromaticContact CE1-CE2 3.79Å; H217-F324 AromaticContact CG-CE2 3.57Å; H217-F324 AromaticContact CG-CZ 3.36Å; H217-F324 AromaticContact ND1-CE2 3.39Å; H217-F324 WeakPolarHBondContact ND1-CE2 3.19Å; H217-F324 AromaticContact ND1-CZ 3.72Å; T320-F324 PolarHBondContact O-N 2.83Å; A321-F324 PolarHBondContact O-N 3.42Å; F324-Y326 VanDerWaalsContact C-N 3.28Å; F324-Y326 PolarHBondContact O-N 3.02Å; F324-I327 PolarHBondContact O-N 3.21Å; F324-A328 WeakPolarHBondContact O-CB 3.36Å; F324-A328 PolarHBondContact O-N 2.92Å |
| 325 | I | 96.8 | Very high | 91 | Very high | 21 Ų | 21 | 23.3 Ų | 23.3 | 11% | 0.108 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.6 | -45.7 | 173.3 | -69 | 164 | 0 | 0 | 0 | 110.1 | L102 A105 F106 I110 V145 I149 A321 M329 | L102-I325 HydrophobicContact CD2-CG1 4.46Å; A105-I325 HydrophobicContact CB-CD1 4.2Å; A105-I325 HydrophobicContact CB-CG1 3.79Å; F106-I325 HydrophobicContact CD2-CG1 4.46Å; F106-I325 HydrophobicContact CE1-CD1 4.07Å; F106-I325 HydrophobicContact CE2-CD1 3.88Å; F106-I325 HydrophobicContact CE2-CG1 3.78Å; F106-I325 HydrophobicContact CZ-CD1 3.59Å; F106-I325 HydrophobicContact CZ-CG1 3.99Å; I110-I325 HydrophobicContact CD1-CD1 4.13Å; V145-I325 HydrophobicContact CG1-CD1 4.08Å; I149-I325 HydrophobicContact CD1-CG2 4.3Å; A321-I325 WeakPolarHBondContact O-CD1 3.43Å; A321-I325 VanDerWaalsContact O-CG1 3.24Å; A321-I325 WeakPolarHBondContact O-CG1 3.48Å; A321-I325 PolarHBondContact O-N 3.02Å; I325-M329 HydrophobicContact CG2-CG 4.22Å; I325-M329 VanDerWaalsContact O-CB 3.24Å; I325-M329 WeakPolarHBondContact O-CB 3.35Å; I325-M329 VanDerWaalsContact O-CG 3.28Å; I325-M329 WeakPolarHBondContact O-CG 3.44Å; I325-M329 PolarHBondContact O-N 3.36Å |
| 326 | Y | 95.1 | Very high | 90.9 | Very high | 15 Ų | 15 | 22.6 Ų | 22.6 | 6% | 0.059 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.1 | -50.2 | 179.5 | -176.8 | -91.4 | 0 | 0 | 0 | 111.6 | I149 F152 L153 E156 G322 G323 F324 T330 | I149-Y326 HydrophobicContact CG2-CD2 4.06Å; F152-Y326 HydrophobicContact CB-CD1 3.57Å; F152-Y326 HydrophobicContact CB-CE1 4.11Å; F152-Y326 HydrophobicContact CB-CG 3.81Å; F152-Y326 HydrophobicContact CD1-CD1 4.37Å; F152-Y326 HydrophobicContact CG-CD1 4.43Å; L153-Y326 HydrophobicContact CB-CD2 4.39Å; L153-Y326 HydrophobicContact CB-CE2 3.65Å; L153-Y326 HydrophobicContact CD1-CE2 3.96Å; L153-Y326 WeakPolarHBondContact CD1-OH 3.2Å; L153-Y326 HydrophobicContact CG-CE2 4.38Å; E156-Y326 WeakPolarHBondContact OE2-CE1 3.04Å; E156-Y326 PolarHBondContact OE2-OH 2.94Å; G322-Y326 WeakPolarHBondContact O-CB 3.44Å; G322-Y326 PolarHBondContact O-N 3.19Å; G323-Y326 WeakPolarHBondContact O-CB 3.3Å; G323-Y326 PolarHBondContact O-N 3.16Å; F324-Y326 VanDerWaalsContact C-N 3.28Å; F324-Y326 PolarHBondContact O-N 3.02Å; Y326-T330 HydrophobicContact CD2-CG2 3.88Å; Y326-T330 WeakPolarHBondContact CE1-OG1 3.06Å; Y326-T330 HydrophobicContact CE2-CG2 3.79Å; Y326-T330 HydrophobicContact CG-CG2 4.38Å; Y326-T330 VanDerWaalsContact O-CB 3.29Å; Y326-T330 WeakPolarHBondContact O-CB 3.38Å; Y326-T330 WeakPolarHBondContact O-CG2 3.41Å; Y326-T330 PolarHBondContact O-N 3.25Å; Y326-T330 PolarHBondContact O-OG1 3.34Å |
| 327 | I | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.5 | -49.3 | -179.4 | -65.5 | -67.4 | 0 | 0 | 0 | 111.4 | L101 F152 L209 N210 A213 I257 G323 F324 M329 S331 V332 | L101-I327 HydrophobicContact CD1-CG2 4.03Å; F152-I327 HydrophobicContact CD1-CD1 4.2Å; F152-I327 HydrophobicContact CD1-CG1 4.16Å; F152-I327 HydrophobicContact CE1-CD1 4.5Å; F152-I327 HydrophobicContact CE1-CG1 4.29Å; L209-I327 HydrophobicContact CB-CD1 3.51Å; N210-I327 WeakPolarHBondContact OD1-CG2 3.27Å; A213-I327 HydrophobicContact CB-CG1 4.38Å; I257-I327 HydrophobicContact CD1-CG2 4.49Å; G323-I327 WeakPolarHBondContact O-CG1 3.18Å; G323-I327 PolarHBondContact O-N 2.93Å; F324-I327 PolarHBondContact O-N 3.21Å; I327-M329 PolarHBondContact O-N 3.32Å; I327-S331 WeakPolarHBondContact O-CA 3.14Å; I327-S331 VanDerWaalsContact O-CB 3.26Å; I327-S331 WeakPolarHBondContact O-CB 3.49Å; I327-S331 PolarHBondContact O-N 3.09Å; I327-V332 HydrophobicContact CG2-CG2 4.31Å; I327-V332 PolarHBondContact O-N 3.39Å; I327-V332 VanDerWaalsContact O-N 3.16Å |
| 328 | A | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -60.4 | -47.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A98 L101 L102 F324 V332 L333 | A98-A328 HydrophobicContact CB-CB 4.37Å; L101-A328 HydrophobicContact CB-CB 4.11Å; L101-A328 HydrophobicContact CD1-CB 4.44Å; L102-A328 HydrophobicContact CD1-CB 4.25Å; L102-A328 HydrophobicContact CD2-CB 3.87Å; L102-A328 HydrophobicContact CG-CB 3.67Å; F324-A328 WeakPolarHBondContact O-CB 3.36Å; F324-A328 PolarHBondContact O-N 2.92Å; A328-V332 PolarHBondContact O-N 3.43Å; A328-L333 WeakPolarHBondContact O-CD1 3.5Å; A328-L333 PolarHBondContact O-N 3.08Å |
| 329 | M | 94.9 | Very high | 88.7 | Confident | 94 Ų | 94 | 31.5 Ų | 31.5 | 46% | 0.463 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -80.3 | -30.9 | -172.8 | -66.5 | -59.3 | -63.2 | 0 | 0 | 114.3 | L102 I325 I327 L333 P334 | L102-M329 HydrophobicContact CD1-SD 4.13Å; L102-M329 HydrophobicContact CD2-CG 4.1Å; L102-M329 HydrophobicContact CD2-SD 4.16Å; I325-M329 HydrophobicContact CG2-CG 4.22Å; I325-M329 VanDerWaalsContact O-CB 3.24Å; I325-M329 WeakPolarHBondContact O-CB 3.35Å; I325-M329 VanDerWaalsContact O-CG 3.28Å; I325-M329 WeakPolarHBondContact O-CG 3.44Å; I325-M329 PolarHBondContact O-N 3.36Å; I327-M329 PolarHBondContact O-N 3.32Å; M329-L333 HydrophobicContact CE-CD2 4.34Å; M329-L333 HydrophobicContact SD-CD2 3.87Å; M329-P334 VanDerWaalsContact O-CD 3.23Å; M329-P334 WeakPolarHBondContact O-CD 3.41Å; M329-P334 VanDerWaalsContact O-CG 3.27Å; M329-P334 WeakPolarHBondContact O-CG 3.4Å |
| 330 | T | 91.5 | Very high | 87.1 | Confident | 64 Ų | 64 | 31 Ų | 31 | 39% | 0.393 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -104.4 | -24.3 | -173.1 | 70.9 | 0 | 0 | 0 | 0 | 113.5 | Y326 | Y326-T330 HydrophobicContact CD2-CG2 3.88Å; Y326-T330 WeakPolarHBondContact CE1-OG1 3.06Å; Y326-T330 HydrophobicContact CE2-CG2 3.79Å; Y326-T330 HydrophobicContact CG-CG2 4.38Å; Y326-T330 VanDerWaalsContact O-CB 3.29Å; Y326-T330 WeakPolarHBondContact O-CB 3.38Å; Y326-T330 WeakPolarHBondContact O-CG2 3.41Å; Y326-T330 PolarHBondContact O-N 3.25Å; Y326-T330 PolarHBondContact O-OG1 3.34Å |
| 331 | S | 86.9 | Confident | 85 | Confident | 8 Ų | 8 | 36.6 Ų | 36.6 | 6% | 0.056 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -109.7 | -45.6 | -177.9 | -68 | 0 | 0 | 0 | 0 | 112.9 | T206 I327 | T206-S331 VanDerWaalsContact CG2-CB 3.46Å; T206-S331 PolarHBondContact OG1-OG 3.4Å; I327-S331 WeakPolarHBondContact O-CA 3.14Å; I327-S331 VanDerWaalsContact O-CB 3.26Å; I327-S331 WeakPolarHBondContact O-CB 3.49Å; I327-S331 PolarHBondContact O-N 3.09Å |
| 332 | V | 90.6 | Very high | 82.5 | Confident | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -88.4 | -55 | -170.9 | -170.4 | 0 | 0 | 0 | 0 | 112.6 | L94 A98 I257 I327 A328 D335 L336 | L94-V332 HydrophobicContact CB-CG1 4.06Å; L94-V332 HydrophobicContact CD2-CG1 4.34Å; L94-V332 VanDerWaalsContact O-CG1 3.25Å; L94-V332 WeakPolarHBondContact O-CG1 3.4Å; A98-V332 HydrophobicContact CB-CB 4.03Å; A98-V332 HydrophobicContact CB-CG1 3.76Å; I257-V332 HydrophobicContact CD1-CG2 3.74Å; I257-V332 HydrophobicContact CG1-CG2 4.03Å; I327-V332 HydrophobicContact CG2-CG2 4.31Å; I327-V332 PolarHBondContact O-N 3.39Å; I327-V332 VanDerWaalsContact O-N 3.16Å; A328-V332 PolarHBondContact O-N 3.43Å; V332-D335 PolarHBondContact O-N 3.09Å; V332-L336 HydrophobicContact CG1-CD1 4.26Å; V332-L336 WeakPolarHBondContact O-CG 3.17Å; V332-L336 PolarHBondContact O-N 3.06Å |
| 333 | L | 92 | Very high | 80.1 | Confident | 40 Ų | 40 | 48.7 Ų | 48.7 | 21% | 0.209 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.6 | -46.5 | -177.9 | -99 | 69.3 | 0 | 0 | 0 | 113.7 | A98 A328 M329 D335 L336 L337 L369 | A98-L333 HydrophobicContact CB-CD1 3.31Å; A328-L333 WeakPolarHBondContact O-CD1 3.5Å; A328-L333 PolarHBondContact O-N 3.08Å; M329-L333 HydrophobicContact CE-CD2 4.34Å; M329-L333 HydrophobicContact SD-CD2 3.87Å; L333-D335 PolarHBondContact O-N 3.38Å; L333-L336 PolarHBondContact O-N 2.97Å; L333-L337 WeakPolarHBondContact O-CG 3.29Å; L333-L337 PolarHBondContact O-N 2.86Å; L333-L337 VanDerWaalsContact O-N 3.14Å; L333-L369 HydrophobicContact CD1-CD1 3.92Å; L333-L369 HydrophobicContact CG-CD1 4.35Å |
| 334 | P | 89.9 | Confident | 77.6 | Confident | 54 Ų | 54 | 52.4 Ų | 52.4 | 35% | 0.351 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.4 | -37 | 179.7 | -27.2 | 37.9 | 0 | 0 | 0 | 112.8 | M329 L337 A338 | M329-P334 VanDerWaalsContact O-CD 3.23Å; M329-P334 WeakPolarHBondContact O-CD 3.41Å; M329-P334 VanDerWaalsContact O-CG 3.27Å; M329-P334 WeakPolarHBondContact O-CG 3.4Å; P334-L337 PolarHBondContact O-N 3.16Å; P334-A338 WeakPolarHBondContact O-CB 3.35Å; P334-A338 PolarHBondContact O-N 3.18Å |
| 335 | D | 83 | Confident | 75 | Confident | 41 Ų | 41 | 58.7 Ų | 58.7 | 22% | 0.219 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.1 | -39.7 | 178.5 | -88.5 | -0.7 | 0 | 0 | 0 | 112.1 | F203 V332 L333 L337 A338 A339 | F203-D335 WeakPolarHBondContact CE1-OD2 3.43Å; V332-D335 PolarHBondContact O-N 3.09Å; L333-D335 PolarHBondContact O-N 3.38Å; D335-L337 VanDerWaalsContact C-N 3.29Å; D335-L337 PolarHBondContact O-N 3.03Å; D335-A338 PolarHBondContact O-N 3.01Å; D335-A339 WeakPolarHBondContact O-CB 3.4Å; D335-A339 PolarHBondContact O-N 3.24Å |
| 336 | L | 84.6 | Confident | 72.4 | Confident | 18 Ų | 18 | 62 Ų | 62 | 9% | 0.094 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 173.7 | -66.4 | 170.8 | 0 | 0 | 0 | 111.3 | K91 L94 A95 V332 L333 | K91-L336 HydrophobicContact CB-CD2 4.14Å; K91-L336 WeakPolarHBondContact O-CD2 3.35Å; L94-L336 HydrophobicContact CB-CD2 3.97Å; A95-L336 HydrophobicContact CB-CD1 3.71Å; A95-L336 HydrophobicContact CB-CD2 4.31Å; V332-L336 HydrophobicContact CG1-CD1 4.26Å; V332-L336 WeakPolarHBondContact O-CG 3.17Å; V332-L336 PolarHBondContact O-N 3.06Å; L333-L336 PolarHBondContact O-N 2.97Å |
| 337 | L | 83.4 | Confident | 70 | Confident | 142 Ų | 142 | 69.7 Ų | 69.7 | 74% | 0.743 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -69.5 | -38.7 | 178.1 | -64.4 | 174.5 | 0 | 0 | 0 | 112.8 | L333 P334 D335 | L333-L337 WeakPolarHBondContact O-CG 3.29Å; L333-L337 PolarHBondContact O-N 2.86Å; L333-L337 VanDerWaalsContact O-N 3.14Å; P334-L337 PolarHBondContact O-N 3.16Å; D335-L337 VanDerWaalsContact C-N 3.29Å; D335-L337 PolarHBondContact O-N 3.03Å |
| 338 | A | 74.5 | Confident | 67.9 | Low | 56 Ų | 56 | 73.9 Ų | 73.9 | 46% | 0.463 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -76.6 | -31.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P334 D335 N340 N341 | P334-A338 WeakPolarHBondContact O-CB 3.35Å; P334-A338 PolarHBondContact O-N 3.18Å; D335-A338 PolarHBondContact O-N 3.01Å; A338-N340 VanDerWaalsContact C-N 3.26Å; A338-N340 PolarHBondContact O-N 3Å; A338-N340 VanDerWaalsContact O-N 3.11Å; A338-N341 PolarHBondContact O-N 3.07Å |
| 339 | A | 58.9 | Low | 65.8 | Low | 37 Ų | 37 | 79 Ų | 79 | 31% | 0.306 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | 2.9 | -164.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | K91 D335 | K91-A339 VanDerWaalsContact NZ-C 3.34Å; K91-A339 PolarHBondContact NZ-O 3.29Å; D335-A339 WeakPolarHBondContact O-CB 3.4Å; D335-A339 PolarHBondContact O-N 3.24Å |
| 340 | N | 55.7 | Low | 63.7 | Low | 49 Ų | 49 | 83.1 Ų | 83.1 | 26% | 0.262 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -7.2 | 175.6 | -117.6 | 3.7 | 0 | 0 | 0 | 114 | A338 S362 | A338-N340 VanDerWaalsContact C-N 3.26Å; A338-N340 PolarHBondContact O-N 3Å; A338-N340 VanDerWaalsContact O-N 3.11Å; N340-S362 PolarHBondContact ND2-OG 2.97Å; N340-S362 VanDerWaalsContact ND2-OG 3.08Å |
| 341 | N | 46 | Very low | 62 | Low | 121 Ų | 121 | 83.8 Ų | 83.8 | 65% | 0.647 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -97.9 | -16.4 | -173.7 | -67.1 | -31.6 | 0 | 0 | 0 | 114.9 | A338 T343 | A338-N341 PolarHBondContact O-N 3.07Å; N341-T343 PolarHBondContact O-N 3.03Å |
| 342 | N | 42.8 | Very low | 60.9 | Low | 135 Ų | 135 | 95 Ų | 95 | 72% | 0.722 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -2 | -167.1 | -70.7 | -16.1 | 0 | 0 | 0 | 115.9 | S344 | N342-S344 VanDerWaalsContact C-N 3.33Š|
| 343 | T | 42.7 | Very low | 59.8 | Low | 119 Ų | 119 | 99.4 Ų | 99.4 | 73% | 0.73 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 8.4 | 174.9 | 25.2 | 0 | 0 | 0 | 0 | 114.2 | N341 | N341-T343 PolarHBondContact O-N 3.03Š|
| 344 | S | 39.1 | Very low | 58.8 | Low | 77 Ų | 77 | 101.4 Ų | 101.4 | 54% | 0.538 | 56% | 0.561 | S | S | . | * | trans | -95.6 | 14.3 | -178.1 | -62 | 0 | 0 | 0 | 0 | 115.4 | N342 T346 | N342-S344 VanDerWaalsContact C-N 3.33Å; S344-T346 VanDerWaalsContact C-N 3.33Å; S344-T346 PolarHBondContact O-N 3.41Å | ||
| 345 | T | 39.2 | Very low | 58.4 | Low | 136 Ų | 136 | 100.8 Ų | 100.8 | 83% | 0.834 | 57% | 0.565 | S | S | * | * | trans | -85.5 | 3.4 | 179.4 | 28 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 346 | T | 41.8 | Very low | 58.6 | Low | 92 Ų | 92 | 105 Ų | 105 | 56% | 0.564 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -99.2 | 127.7 | 163.5 | 54.7 | 0 | 0 | 0 | 0 | 108.9 | S344 T348 | S344-T346 VanDerWaalsContact C-N 3.33Å; S344-T346 PolarHBondContact O-N 3.41Å; T346-T348 PolarHBondContact O-N 3Å; T346-T348 PolarHBondContact O-OG1 3.5Å; T346-T348 PolarHBondContact OG1-OG1 3.39Å |
| 347 | N | 45.6 | Very low | 58.6 | Low | 176 Ų | 176 | 110.5 Ų | 110.5 | 94% | 0.941 | 61% | 0.605 | S | S | * | * | trans | -64.7 | 46.6 | 172.5 | -75.4 | -31.3 | 0 | 0 | 0 | 112.5 | ||||
| 348 | T | 47.8 | Very low | 58.7 | Low | 88 Ų | 88 | 106 Ų | 106 | 54% | 0.54 | 59% | 0.585 | S | S | . | * | trans | -94 | 127.4 | 170.9 | 42.6 | 0 | 0 | 0 | 0 | 107.8 | T346 K350 | T346-T348 PolarHBondContact O-N 3Å; T346-T348 PolarHBondContact O-OG1 3.5Å; T346-T348 PolarHBondContact OG1-OG1 3.39Å; T348-K350 PolarHBondContact O-N 3.21Å | ||
| 349 | P | 49.8 | Very low | 59.4 | Low | 106 Ų | 106 | 109.4 Ų | 109.4 | 69% | 0.688 | 59% | 0.59 | S | S | * | * | trans | -53.6 | 135.4 | 179.1 | 21.2 | -30.5 | 0 | 0 | 0 | 109.3 | T351 | P349-T351 PolarHBondContact O-N 3.19Š| ||
| 350 | K | 51 | Low | 60.9 | Low | 182 Ų | 182 | 110.1 Ų | 110.1 | 79% | 0.791 | 59% | 0.59 | S | S | * | * | trans | -60.2 | 85.9 | 172.8 | -79.5 | -176.2 | 177.2 | 179.4 | 0 | 108.4 | T348 | T348-K350 PolarHBondContact O-N 3.21Š| ||
| 351 | T | 57.6 | Low | 62.6 | Low | 77 Ų | 77 | 109.6 Ų | 109.6 | 47% | 0.472 | 59% | 0.586 | S | S | . | * | trans | -60.9 | 139.8 | 169.2 | 56.6 | 0 | 0 | 0 | 0 | 107.8 | P349 N353 N354 | P349-T351 PolarHBondContact O-N 3.19Å; T351-N353 PolarHBondContact O-N 3.35Å; T351-N354 PolarHBondContact O-N 2.89Å | ||
| 352 | R | 62.3 | Low | 64.7 | Low | 244 Ų | 244 | 105.7 Ų | 105.7 | 92% | 0.921 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -46.6 | -30.7 | 176.7 | 178.3 | 177 | 165.2 | 150.6 | -2.8 | 112.7 | N354 G355 F356 | R352-N354 VanDerWaalsContact C-N 3.32Å; R352-N354 PolarHBondContact O-N 3.19Å; R352-G355 PolarHBondContact O-N 2.9Å; R352-F356 PolarHBondContact O-N 2.91Å |
| 353 | N | 67.2 | Low | 67.2 | Low | 98 Ų | 98 | 103.1 Ų | 103.1 | 52% | 0.524 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.6 | -30.2 | 178.8 | -145.3 | 12 | 0 | 0 | 0 | 113.7 | T351 K357 | T351-N353 PolarHBondContact O-N 3.35Å; N353-K357 WeakPolarHBondContact O-CG 3.25Å; N353-K357 PolarHBondContact O-N 2.82Å; N353-K357 VanDerWaalsContact O-N 3.09Å |
| 354 | N | 72.6 | Confident | 69.6 | Low | 81 Ų | 81 | 101.3 Ų | 101.3 | 43% | 0.433 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -72.1 | -36.4 | 177.5 | -72.4 | -8.1 | 0 | 0 | 0 | 112.2 | T351 R352 K357 S358 | T351-N354 PolarHBondContact O-N 2.89Å; R352-N354 VanDerWaalsContact C-N 3.32Å; R352-N354 PolarHBondContact O-N 3.19Å; N354-K357 PolarHBondContact O-N 3.46Å; N354-S358 PolarHBondContact O-N 2.88Å |
| 355 | G | 81.2 | Confident | 72.3 | Confident | 42 Ų | 42 | 98.3 Ų | 98.3 | 43% | 0.433 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R352 S358 F359 | R352-G355 PolarHBondContact O-N 2.9Å; G355-S358 PolarHBondContact O-N 3.41Å; G355-S358 PolarHBondContact O-OG 3.48Å; G355-S358 VanDerWaalsContact O-OG 3.07Å; G355-F359 WeakPolarHBondContact O-CB 3.45Å; G355-F359 PolarHBondContact O-N 2.98Å |
| 356 | F | 86.1 | Confident | 74.9 | Confident | 130 Ų | 130 | 96.6 Ų | 96.6 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.4 | -43.9 | 174.5 | -175.4 | -103.1 | 0 | 0 | 0 | 111.9 | R352 S358 F359 V360 | R352-F356 PolarHBondContact O-N 2.91Å; F356-S358 PolarHBondContact O-N 3.28Å; F356-F359 PolarHBondContact O-N 3.05Å; F356-V360 HydrophobicContact CD1-CG2 4.1Å; F356-V360 HydrophobicContact CE1-CG2 3.66Å; F356-V360 HydrophobicContact CE2-CG2 4.12Å; F356-V360 HydrophobicContact CZ-CG2 3.68Å; F356-V360 WeakPolarHBondContact O-CG2 3.32Å; F356-V360 PolarHBondContact O-N 2.9Å |
| 357 | K | 85.7 | Confident | 77.5 | Confident | 132 Ų | 132 | 97 Ų | 97 | 57% | 0.574 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.6 | -43.5 | 176.3 | -75.3 | -178.6 | 179.9 | -176.3 | 0 | 112.9 | N353 N354 F359 V360 Q361 | N353-K357 WeakPolarHBondContact O-CG 3.25Å; N353-K357 PolarHBondContact O-N 2.82Å; N353-K357 VanDerWaalsContact O-N 3.09Å; N354-K357 PolarHBondContact O-N 3.46Å; K357-F359 VanDerWaalsContact C-N 3.31Å; K357-F359 PolarHBondContact O-N 3.22Å; K357-V360 PolarHBondContact O-N 3.45Å; K357-Q361 WeakPolarHBondContact O-CB 3.28Å; K357-Q361 PolarHBondContact O-N 2.98Å |
| 358 | S | 84.8 | Confident | 79.9 | Confident | 47 Ų | 47 | 89.5 Ų | 89.5 | 33% | 0.329 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.1 | -36.8 | 177.5 | 72.3 | 0 | 0 | 0 | 0 | 111.7 | N354 G355 F356 Q361 S362 | N354-S358 PolarHBondContact O-N 2.88Å; G355-S358 PolarHBondContact O-N 3.41Å; G355-S358 PolarHBondContact O-OG 3.48Å; G355-S358 VanDerWaalsContact O-OG 3.07Å; F356-S358 PolarHBondContact O-N 3.28Å; S358-Q361 PolarHBondContact O-N 2.8Å; S358-S362 PolarHBondContact O-N 3.43Å; S358-S362 PolarHBondContact O-OG 3.49Å |
| 359 | F | 88.6 | Confident | 82.2 | Confident | 129 Ų | 129 | 87.5 Ų | 87.5 | 57% | 0.566 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.6 | -48.8 | 175.2 | 175.1 | -99.4 | 0 | 0 | 0 | 111.8 | G355 F356 K357 Q361 S362 L363 | G355-F359 WeakPolarHBondContact O-CB 3.45Å; G355-F359 PolarHBondContact O-N 2.98Å; F356-F359 PolarHBondContact O-N 3.05Å; K357-F359 VanDerWaalsContact C-N 3.31Å; K357-F359 PolarHBondContact O-N 3.22Å; F359-Q361 VanDerWaalsContact C-N 3.3Å; F359-Q361 PolarHBondContact O-N 3.2Å; F359-S362 PolarHBondContact O-N 3.17Å; F359-L363 PolarHBondContact O-N 3.37Å |
| 360 | V | 91.2 | Very high | 84.5 | Confident | 51 Ų | 51 | 87.2 Ų | 87.2 | 31% | 0.309 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 176.8 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | F356 K357 L363 L364 | F356-V360 HydrophobicContact CD1-CG2 4.1Å; F356-V360 HydrophobicContact CE1-CG2 3.66Å; F356-V360 HydrophobicContact CE2-CG2 4.12Å; F356-V360 HydrophobicContact CZ-CG2 3.68Å; F356-V360 WeakPolarHBondContact O-CG2 3.32Å; F356-V360 PolarHBondContact O-N 2.9Å; K357-V360 PolarHBondContact O-N 3.45Å; V360-L363 PolarHBondContact O-N 3.23Å; V360-L364 HydrophobicContact CG1-CD1 4.16Å; V360-L364 HydrophobicContact CG1-CG 4.45Å; V360-L364 WeakPolarHBondContact O-CG 3.25Å; V360-L364 PolarHBondContact O-N 3.28Å |
| 361 | Q | 91.2 | Very high | 86.6 | Confident | 38 Ų | 38 | 80 Ų | 80 | 18% | 0.178 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 176.5 | 178.7 | 64.9 | 36.2 | 0 | 0 | 112 | G88 K357 S358 F359 L363 L364 E365 | G88-Q361 PolarHBondContact O-NE2 2.7Å; K357-Q361 WeakPolarHBondContact O-CB 3.28Å; K357-Q361 PolarHBondContact O-N 2.98Å; S358-Q361 PolarHBondContact O-N 2.8Å; F359-Q361 VanDerWaalsContact C-N 3.3Å; F359-Q361 PolarHBondContact O-N 3.2Å; Q361-L363 VanDerWaalsContact C-N 3.3Å; Q361-L363 PolarHBondContact O-N 3.34Å; Q361-L364 PolarHBondContact O-N 3.4Å; Q361-E365 VanDerWaalsContact CG-OE1 3.29Å; Q361-E365 WeakPolarHBondContact CG-OE1 3.45Å; Q361-E365 PolarHBondContact NE2-OE1 3.04Å; Q361-E365 WeakPolarHBondContact O-CG 3.25Å; Q361-E365 PolarHBondContact O-N 3.14Å |
| 362 | S | 91.5 | Very high | 88.4 | Confident | 39 Ų | 39 | 76.3 Ų | 76.3 | 27% | 0.273 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.8 | -36 | 176.7 | -66.7 | 0 | 0 | 0 | 0 | 112.4 | N340 S358 F359 E365 I366 | N340-S362 PolarHBondContact ND2-OG 2.97Å; N340-S362 VanDerWaalsContact ND2-OG 3.08Å; S358-S362 PolarHBondContact O-N 3.43Å; S358-S362 PolarHBondContact O-OG 3.49Å; F359-S362 PolarHBondContact O-N 3.17Å; S362-E365 PolarHBondContact O-N 3.39Å; S362-I366 WeakPolarHBondContact O-CG1 3.39Å; S362-I366 PolarHBondContact O-N 2.89Å |
| 363 | L | 93.6 | Very high | 90.1 | Very high | 81 Ų | 81 | 67 Ų | 67 | 42% | 0.424 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 174 | -176 | 64.3 | 0 | 0 | 0 | 111.5 | F359 V360 Q361 I366 I367 | F359-L363 PolarHBondContact O-N 3.37Å; V360-L363 PolarHBondContact O-N 3.23Å; Q361-L363 VanDerWaalsContact C-N 3.3Å; Q361-L363 PolarHBondContact O-N 3.34Å; L363-I366 PolarHBondContact O-N 2.87Å; L363-I367 HydrophobicContact CD1-CD1 4.26Å; L363-I367 HydrophobicContact CG-CD1 3.91Å; L363-I367 WeakPolarHBondContact O-CB 3.38Å; L363-I367 VanDerWaalsContact O-CG1 3.27Å; L363-I367 WeakPolarHBondContact O-CG1 3.39Å; L363-I367 PolarHBondContact O-N 3.09Å |
| 364 | L | 94.7 | Very high | 91.4 | Very high | 81 Ų | 81 | 65 Ų | 65 | 42% | 0.424 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 175 | -72.2 | 171.3 | 0 | 0 | 0 | 111.6 | V92 V360 Q361 I367 S368 | V92-L364 HydrophobicContact CG2-CB 3.97Å; V360-L364 HydrophobicContact CG1-CD1 4.16Å; V360-L364 HydrophobicContact CG1-CG 4.45Å; V360-L364 WeakPolarHBondContact O-CG 3.25Å; V360-L364 PolarHBondContact O-N 3.28Å; Q361-L364 PolarHBondContact O-N 3.4Å; L364-I367 PolarHBondContact O-N 2.96Å; L364-S368 VanDerWaalsContact O-CB 3.22Å; L364-S368 WeakPolarHBondContact O-CB 3.38Å; L364-S368 PolarHBondContact O-N 2.93Å |
| 365 | E | 94.4 | Very high | 92.4 | Very high | 15 Ų | 15 | 63 Ų | 63 | 7% | 0.07 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 176.1 | -71.9 | 165.3 | -160.6 | 0 | 0 | 111.6 | K91 V92 A95 Q361 S362 S368 L369 | K91-E365 HydrophobicContact CB-CG 4.17Å; K91-E365 VanDerWaalsContact CB-OE1 3.28Å; K91-E365 WeakPolarHBondContact CB-OE1 3.39Å; K91-E365 WeakPolarHBondContact CD-OE1 3.14Å; V92-E365 HydrophobicContact CG2-CG 4.5Å; A95-E365 HydrophobicContact CB-CB 4Å; A95-E365 HydrophobicContact CB-CG 4.4Å; A95-E365 WeakPolarHBondContact CB-O 3.17Å; Q361-E365 VanDerWaalsContact CG-OE1 3.29Å; Q361-E365 WeakPolarHBondContact CG-OE1 3.45Å; Q361-E365 PolarHBondContact NE2-OE1 3.04Å; Q361-E365 WeakPolarHBondContact O-CG 3.25Å; Q361-E365 PolarHBondContact O-N 3.14Å; S362-E365 PolarHBondContact O-N 3.39Å; E365-S368 WeakPolarHBondContact O-CB 3.12Å; E365-S368 PolarHBondContact O-N 3.42Å; E365-L369 WeakPolarHBondContact O-CB 3.22Å; E365-L369 PolarHBondContact O-N 3.08Å |
| 366 | I | 94.6 | Very high | 93 | Very high | 100 Ų | 100 | 61.4 Ų | 61.4 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 177.1 | -68.2 | 166.9 | 0 | 0 | 0 | 111.5 | S362 L363 S368 L369 I370 | S362-I366 WeakPolarHBondContact O-CG1 3.39Å; S362-I366 PolarHBondContact O-N 2.89Å; L363-I366 PolarHBondContact O-N 2.87Å; I366-S368 VanDerWaalsContact C-N 3.25Å; I366-S368 PolarHBondContact O-N 3.09Å; I366-L369 PolarHBondContact O-N 2.75Å; I366-I370 HydrophobicContact CG2-CD1 3.88Å; I366-I370 WeakPolarHBondContact O-CG1 3.27Å; I366-I370 PolarHBondContact O-N 2.85Å |
| 367 | I | 97 | Very high | 93.3 | Very high | 100 Ų | 100 | 57.2 Ų | 57.2 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 176.8 | -70.3 | 168 | 0 | 0 | 0 | 110.2 | L363 L364 I370 G371 | L363-I367 HydrophobicContact CD1-CD1 4.26Å; L363-I367 HydrophobicContact CG-CD1 3.91Å; L363-I367 WeakPolarHBondContact O-CB 3.38Å; L363-I367 VanDerWaalsContact O-CG1 3.27Å; L363-I367 WeakPolarHBondContact O-CG1 3.39Å; L363-I367 PolarHBondContact O-N 3.09Å; L364-I367 PolarHBondContact O-N 2.96Å; I367-I370 PolarHBondContact O-N 3.46Å; I367-G371 PolarHBondContact O-N 3.08Å |
| 368 | S | 96 | Very high | 93.6 | Very high | 18 Ų | 18 | 53.4 Ų | 53.4 | 13% | 0.126 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.1 | -44 | 178.4 | -150.7 | 0 | 0 | 0 | 0 | 111.9 | V92 F96 L364 E365 I366 G371 G372 | V92-S368 VanDerWaalsContact CG1-OG 3.29Å; V92-S368 WeakPolarHBondContact CG1-OG 3.36Å; V92-S368 WeakPolarHBondContact O-CB 3.34Å; V92-S368 PolarHBondContact O-OG 2.68Å; F96-S368 WeakPolarHBondContact CA-O 3.44Å; F96-S368 WeakPolarHBondContact CB-OG 3.43Å; F96-S368 WeakPolarHBondContact CD2-O 3.06Å; L364-S368 VanDerWaalsContact O-CB 3.22Å; L364-S368 WeakPolarHBondContact O-CB 3.38Å; L364-S368 PolarHBondContact O-N 2.93Å; E365-S368 WeakPolarHBondContact O-CB 3.12Å; E365-S368 PolarHBondContact O-N 3.42Å; I366-S368 VanDerWaalsContact C-N 3.25Å; I366-S368 PolarHBondContact O-N 3.09Å; S368-G371 WeakPolarHBondContact O-CA 3.35Å; S368-G371 PolarHBondContact O-N 2.91Å; S368-G372 PolarHBondContact O-N 2.93Å |
| 369 | L | 96.1 | Very high | 93.7 | Very high | 46 Ų | 46 | 51.8 Ų | 51.8 | 24% | 0.241 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 176.2 | -177.4 | 141.7 | 0 | 0 | 0 | 112 | A95 A98 G99 L333 E365 I366 G371 G372 V373 | A95-L369 HydrophobicContact CB-CB 4.28Å; A95-L369 VanDerWaalsContact O-CA 3.25Å; A95-L369 WeakPolarHBondContact O-CA 2.9Å; A95-L369 WeakPolarHBondContact O-CB 3.26Å; A98-L369 HydrophobicContact CB-CD1 4.4Å; G99-L369 WeakPolarHBondContact CA-O 3.36Å; L333-L369 HydrophobicContact CD1-CD1 3.92Å; L333-L369 HydrophobicContact CG-CD1 4.35Å; E365-L369 WeakPolarHBondContact O-CB 3.22Å; E365-L369 PolarHBondContact O-N 3.08Å; I366-L369 PolarHBondContact O-N 2.75Å; L369-G371 VanDerWaalsContact C-N 3.29Å; L369-G371 PolarHBondContact O-N 3.29Å; L369-G372 PolarHBondContact O-N 3.44Å; L369-V373 PolarHBondContact O-N 2.84Å |
| 370 | I | 97 | Very high | 93.4 | Very high | 101 Ų | 101 | 47.1 Ų | 47.1 | 52% | 0.518 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 173.9 | -65.6 | 168 | 0 | 0 | 0 | 110.4 | I366 I367 G372 V373 A374 | I366-I370 HydrophobicContact CG2-CD1 3.88Å; I366-I370 WeakPolarHBondContact O-CG1 3.27Å; I366-I370 PolarHBondContact O-N 2.85Å; I367-I370 PolarHBondContact O-N 3.46Å; I370-G372 VanDerWaalsContact C-N 3.33Å; I370-G372 PolarHBondContact O-N 3.34Å; I370-V373 PolarHBondContact O-N 3.25Å; I370-A374 VanDerWaalsContact O-CB 3.28Å; I370-A374 WeakPolarHBondContact O-CB 2.95Å; I370-A374 PolarHBondContact O-N 3.29Å |
| 371 | G | 96.3 | Very high | 93.1 | Very high | 29 Ų | 29 | 50 Ų | 50 | 30% | 0.299 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.9 | -40.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I367 S368 L369 A374 M375 | I367-G371 PolarHBondContact O-N 3.08Å; S368-G371 WeakPolarHBondContact O-CA 3.35Å; S368-G371 PolarHBondContact O-N 2.91Å; L369-G371 VanDerWaalsContact C-N 3.29Å; L369-G371 PolarHBondContact O-N 3.29Å; G371-A374 PolarHBondContact O-N 3.08Å; G371-M375 VanDerWaalsContact O-CB 3.26Å; G371-M375 WeakPolarHBondContact O-CB 3.44Å; G371-M375 PolarHBondContact O-N 3.01Å |
| 372 | G | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S368 L369 I370 M375 M376 | S368-G372 PolarHBondContact O-N 2.93Å; L369-G372 PolarHBondContact O-N 3.44Å; I370-G372 VanDerWaalsContact C-N 3.33Å; I370-G372 PolarHBondContact O-N 3.34Å; G372-M375 PolarHBondContact O-N 3.27Å; G372-M376 PolarHBondContact O-N 3.23Å; G372-M376 VanDerWaalsContact O-N 3.15Å |
| 373 | V | 96.2 | Very high | 91.3 | Very high | 50 Ų | 50 | 56.9 Ų | 56.9 | 30% | 0.303 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 176.7 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | G99 L107 L369 I370 M375 M376 A377 | G99-V373 VanDerWaalsContact O-CG2 3.24Å; G99-V373 WeakPolarHBondContact O-CG2 3.48Å; G99-V373 PolarHBondContact O-N 2.95Å; L107-V373 HydrophobicContact CD1-CG1 4.05Å; L369-V373 PolarHBondContact O-N 2.84Å; I370-V373 PolarHBondContact O-N 3.25Å; V373-M375 VanDerWaalsContact C-N 3.31Å; V373-M375 PolarHBondContact O-N 3.1Å; V373-M376 PolarHBondContact O-N 2.77Å; V373-A377 PolarHBondContact O-N 3.12Å |
| 374 | A | 95.7 | Very high | 91.2 | Very high | 54 Ų | 54 | 55.7 Ų | 55.7 | 45% | 0.446 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.2 | -36.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I370 G371 A377 A378 | I370-A374 VanDerWaalsContact O-CB 3.28Å; I370-A374 WeakPolarHBondContact O-CB 2.95Å; I370-A374 PolarHBondContact O-N 3.29Å; G371-A374 PolarHBondContact O-N 3.08Å; A374-A377 PolarHBondContact O-N 2.98Å; A374-A378 WeakPolarHBondContact O-CB 3.25Å; A374-A378 PolarHBondContact O-N 2.77Å |
| 375 | M | 94 | Very high | 91.1 | Very high | 40 Ų | 40 | 54.4 Ų | 54.4 | 20% | 0.197 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 173.1 | 172.1 | -159 | 56.5 | 0 | 0 | 110.8 | F96 P249 G371 G372 V373 A377 A378 I379 | F96-M375 HydrophobicContact CE1-CE 4Å; F96-M375 HydrophobicContact CE1-SD 4.32Å; F96-M375 HydrophobicContact CE2-CE 4.25Å; F96-M375 HydrophobicContact CE2-SD 4.35Å; F96-M375 HydrophobicContact CZ-CE 3.52Å; F96-M375 HydrophobicContact CZ-SD 3.52Å; F96-M375 VanDerWaalsContact CZ-SD 3.52Å; P249-M375 HydrophobicContact CB-CE 3.7Å; P249-M375 HydrophobicContact CB-SD 3.45Å; P249-M375 WeakPolarHBondContact CB-SD 3.14Å; P249-M375 HydrophobicContact CG-CE 3.83Å; P249-M375 HydrophobicContact CG-SD 3.22Å; P249-M375 WeakPolarHBondContact CG-SD 3.37Å; G371-M375 VanDerWaalsContact O-CB 3.26Å; G371-M375 WeakPolarHBondContact O-CB 3.44Å; G371-M375 PolarHBondContact O-N 3.01Å; G372-M375 PolarHBondContact O-N 3.27Å; V373-M375 VanDerWaalsContact C-N 3.31Å; V373-M375 PolarHBondContact O-N 3.1Å; M375-A377 VanDerWaalsContact C-N 3.3Å; M375-A377 PolarHBondContact O-N 3.23Å; M375-A378 WeakPolarHBondContact O-CB 3.31Å; M375-A378 PolarHBondContact O-N 3.04Å; M375-A378 VanDerWaalsContact O-N 3.08Å; M375-I379 HydrophobicContact CG-CD1 3.82Å; M375-I379 HydrophobicContact CG-CG1 4.42Å; M375-I379 WeakPolarHBondContact O-CG1 3.3Å; M375-I379 PolarHBondContact O-N 3.29Å; M375-I379 HydrophobicContact SD-CD1 4.37Å |
| 376 | M | 93.1 | Very high | 90.9 | Very high | 9 Ų | 9 | 56.6 Ų | 56.6 | 4% | 0.044 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 177.1 | -70.4 | -62.1 | 141.8 | 0 | 0 | 111.9 | D104 H246 P249 H250 G372 V373 A378 I379 G380 | D104-M376 HydrophobicContact CB-CG 4.42Å; D104-M376 HydrophobicContact CB-SD 4.18Å; H246-M376 HydrophobicContact CB-CE 3.57Å; H246-M376 HydrophobicContact CB-SD 3.89Å; P249-M376 HydrophobicContact CG-CE 4.43Å; H250-M376 WeakPolarHBondContact NE2-CE 3.38Å; G372-M376 PolarHBondContact O-N 3.23Å; G372-M376 VanDerWaalsContact O-N 3.15Å; V373-M376 PolarHBondContact O-N 2.77Å; M376-A378 VanDerWaalsContact C-N 3.32Å; M376-A378 PolarHBondContact O-N 2.92Å; M376-I379 HydrophobicContact CE-CD1 4.25Å; M376-I379 PolarHBondContact O-N 3.11Å; M376-G380 PolarHBondContact O-N 3.24Å |
| 377 | A | 92.7 | Very high | 90.6 | Very high | 42 Ų | 42 | 54 Ų | 54 | 35% | 0.347 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L107 V373 A374 M375 T381 | L107-A377 HydrophobicContact CD1-CB 3.69Å; V373-A377 PolarHBondContact O-N 3.12Å; A374-A377 PolarHBondContact O-N 2.98Å; M375-A377 VanDerWaalsContact C-N 3.3Å; M375-A377 PolarHBondContact O-N 3.23Å; A377-T381 PolarHBondContact O-N 3.44Å |
| 378 | A | 92.1 | Very high | 90.2 | Very high | 52 Ų | 52 | 51.1 Ų | 51.1 | 43% | 0.43 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.5 | -40.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A374 M375 M376 G380 T381 | A374-A378 WeakPolarHBondContact O-CB 3.25Å; A374-A378 PolarHBondContact O-N 2.77Å; M375-A378 WeakPolarHBondContact O-CB 3.31Å; M375-A378 PolarHBondContact O-N 3.04Å; M375-A378 VanDerWaalsContact O-N 3.08Å; M376-A378 VanDerWaalsContact C-N 3.32Å; M376-A378 PolarHBondContact O-N 2.92Å; A378-G380 VanDerWaalsContact C-N 3.34Å; A378-T381 PolarHBondContact O-N 2.64Å; A378-T381 VanDerWaalsContact O-N 3.14Å; A378-T381 PolarHBondContact O-OG1 3.11Å |
| 379 | I | 87.3 | Confident | 89.9 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 7% | 0.067 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 176.9 | -65.9 | 170.7 | 0 | 0 | 0 | 110.2 | T242 L245 H246 M375 M376 T381 L382 | T242-I379 HydrophobicContact CG2-CG2 3.6Å; L245-I379 HydrophobicContact CB-CD1 4.14Å; L245-I379 HydrophobicContact CB-CG1 4.36Å; H246-I379 HydrophobicContact CB-CD1 3.76Å; H246-I379 HydrophobicContact CB-CG2 4.31Å; M375-I379 HydrophobicContact CG-CD1 3.82Å; M375-I379 HydrophobicContact CG-CG1 4.42Å; M375-I379 WeakPolarHBondContact O-CG1 3.3Å; M375-I379 PolarHBondContact O-N 3.29Å; M375-I379 HydrophobicContact SD-CD1 4.37Å; M376-I379 HydrophobicContact CE-CD1 4.25Å; M376-I379 PolarHBondContact O-N 3.11Å; I379-T381 PolarHBondContact O-N 3.45Å; I379-L382 WeakPolarHBondContact O-CB 3.28Å; I379-L382 PolarHBondContact O-N 3.29Å |
| 380 | G | 81.9 | Confident | 89.4 | Confident | 31 Ų | 31 | 53.9 Ų | 53.9 | 32% | 0.32 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -12.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | M376 A378 | M376-G380 PolarHBondContact O-N 3.24Å; A378-G380 VanDerWaalsContact C-N 3.34Å |
| 381 | T | 85 | Confident | 88.8 | Confident | 111 Ų | 111 | 50.2 Ų | 50.2 | 68% | 0.681 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -9.5 | 170.3 | 65.5 | 0 | 0 | 0 | 0 | 114 | A377 A378 I379 | A377-T381 PolarHBondContact O-N 3.44Å; A378-T381 PolarHBondContact O-N 2.64Å; A378-T381 VanDerWaalsContact O-N 3.14Å; A378-T381 PolarHBondContact O-OG1 3.11Å; I379-T381 PolarHBondContact O-N 3.45Å |
| 382 | L | 77 | Confident | 88.2 | Confident | 92 Ų | 92 | 52 Ų | 52 | 48% | 0.482 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -17.1 | 176.8 | -60.1 | 175.4 | 0 | 0 | 0 | 112.5 | L245 I379 | L245-L382 HydrophobicContact CD1-CD1 3.82Å; I379-L382 WeakPolarHBondContact O-CB 3.28Å; I379-L382 PolarHBondContact O-N 3.29Å |
| 383 | E | 68.2 | Low | 87.6 | Confident | 130 Ų | 130 | 56.7 Ų | 56.7 | 61% | 0.607 | 36% | 0.357 | S | S | * | . | trans | -77 | 0 | 169.5 | -60.4 | -176.6 | 161.4 | 0 | 0 | 111.1 | H108 T242 | H108-E383 IonicContact CE1-OE1 3.99Å; H108-E383 PolarHBondContact CE1-OE1 3Å; H108-E383 IonicContact CE1-OE2 3.07Å; H108-E383 PolarHBondContact CE1-OE2 3.3Å; H108-E383 IonicContact ND1-OE1 3.35Å; H108-E383 IonicContact ND1-OE2 3.75Å; H108-E383 PolarHBondContact ND1-OE2 2.69Å; H108-E383 VanDerWaalsContact ND1-OE2 3.07Å; H108-E383 IonicContact NE2-OE1 2.69Å; H108-E383 PolarHBondContact NE2-OE1 3.23Å; H108-E383 IonicContact NE2-OE2 3.21Å; T242-E383 HydrophobicContact CG2-CG 3.49Å; T242-E383 VanDerWaalsContact CG2-CG 3.49Å |
Retrieved 383 of 383 residues in 147.1 ms
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