| 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 | 39.6 | Very low | 46 | Very low | 242 Ų | 242 | 148.3 Ų | 148.3 | 100% | 1.192 | 79% | 0.785 | S | S | * | * | 0 | 102.5 | 0 | -79.8 | 170.2 | 161.4 | 0 | 0 | 107.9 | |||||
| 2 | S | 31.6 | Very low | 46.9 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -116.5 | 105.2 | 169.8 | -74.5 | 0 | 0 | 0 | 0 | 108.4 | R4 | S2-R4 PolarHBondContact O-N 2.77Š| ||
| 3 | T | 40.3 | Very low | 47.7 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | -67.7 | 118.5 | 171.8 | 35.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 4 | R | 38.6 | Very low | 48.3 | Very low | 245 Ų | 245 | 144 Ų | 144 | 93% | 0.925 | 75% | 0.749 | S | S | * | * | trans | -85.3 | 112.9 | 168.4 | -75.9 | -171.8 | -169.6 | -170.8 | 3.7 | 108.9 | S2 M6 | S2-R4 PolarHBondContact O-N 2.77Å; R4-M6 PolarHBondContact O-N 3.18Å | ||
| 5 | I | 48.1 | Very low | 49.3 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 80% | 0.795 | 74% | 0.736 | S | S | * | * | trans | -73.7 | 117.3 | 165.8 | -63.8 | 170.7 | 0 | 0 | 0 | 107.6 | K7 | I5-K7 PolarHBondContact O-N 3.1Š| ||
| 6 | M | 41.9 | Very low | 50.3 | Low | 186 Ų | 186 | 138.3 Ų | 138.3 | 92% | 0.916 | 72% | 0.723 | S | S | * | * | trans | -71 | 112.9 | 173.4 | -107.8 | 153.2 | 64.2 | 0 | 0 | 109.7 | R4 | R4-M6 PolarHBondContact O-N 3.18Š| ||
| 7 | K | 48.1 | Very low | 50.7 | Low | 203 Ų | 203 | 136.9 Ų | 136.9 | 88% | 0.883 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 120.2 | 168.8 | -90.5 | 179.3 | 174 | 177.8 | 0 | 109.6 | I5 N9 | I5-K7 PolarHBondContact O-N 3.1Å; K7-N9 PolarHBondContact O-N 3.42Å |
| 8 | S | 53.9 | Low | 51 | Low | 90 Ų | 90 | 136.3 Ų | 136.3 | 63% | 0.629 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 122.6 | 173.4 | 171.2 | 0 | 0 | 0 | 0 | 111 | ||
| 9 | N | 49.6 | Very low | 51.3 | Low | 102 Ų | 102 | 133.3 Ų | 133.3 | 55% | 0.545 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -82.4 | 122.9 | -179.4 | -169.7 | -15.4 | 0 | 0 | 0 | 110.8 | K7 A11 M12 | K7-N9 PolarHBondContact O-N 3.42Å; N9-A11 PolarHBondContact O-N 3.25Å; N9-A11 PolarHBondContact OD1-N 3.13Å; N9-M12 WeakPolarHBondContact O-CB 3.4Å; N9-M12 PolarHBondContact O-N 2.75Å; N9-M12 VanDerWaalsContact O-N 3.1Å |
| 10 | P | 57.8 | Low | 51.6 | Low | 99 Ų | 99 | 129.1 Ų | 129.1 | 64% | 0.643 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -60.8 | -24.5 | -178.7 | 23.7 | -34.4 | 0 | 0 | 0 | 114 | M12 K13 L14 | P10-M12 VanDerWaalsContact C-N 3.27Å; P10-M12 PolarHBondContact O-N 3.48Å; P10-K13 PolarHBondContact O-N 3.39Å; P10-L14 PolarHBondContact O-N 2.78Å |
| 11 | A | 57.2 | Low | 51.9 | Low | 50 Ų | 50 | 126.6 Ų | 126.6 | 41% | 0.413 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -63.1 | -32.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N9 L14 I15 | N9-A11 PolarHBondContact O-N 3.25Å; N9-A11 PolarHBondContact OD1-N 3.13Å; A11-L14 PolarHBondContact O-N 2.81Å; A11-I15 WeakPolarHBondContact O-CD1 3.46Å; A11-I15 WeakPolarHBondContact O-CG1 3.41Å; A11-I15 PolarHBondContact O-N 3.27Å; A11-I15 VanDerWaalsContact O-N 3.15Å |
| 12 | M | 56.6 | Low | 52.6 | Low | 141 Ų | 141 | 121.6 Ų | 121.6 | 70% | 0.695 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.7 | -31.1 | -179 | -165.2 | 173 | -114.6 | 0 | 0 | 112 | N9 P10 V16 | N9-M12 WeakPolarHBondContact O-CB 3.4Å; N9-M12 PolarHBondContact O-N 2.75Å; N9-M12 VanDerWaalsContact O-N 3.1Å; P10-M12 VanDerWaalsContact C-N 3.27Å; P10-M12 PolarHBondContact O-N 3.48Å; M12-V16 VanDerWaalsContact O-CG2 3.29Å; M12-V16 WeakPolarHBondContact O-CG2 3.45Å; M12-V16 PolarHBondContact O-N 2.04Å |
| 13 | K | 56.4 | Low | 53.5 | Low | 140 Ų | 140 | 119 Ų | 119 | 61% | 0.609 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.4 | -36.1 | 174 | -70.8 | -173.8 | 176.4 | -175.6 | 0 | 112.2 | P10 V16 L17 | P10-K13 PolarHBondContact O-N 3.39Å; K13-V16 PolarHBondContact O-N 2.86Å; K13-L17 WeakPolarHBondContact O-CG 3.38Å; K13-L17 PolarHBondContact O-N 2.87Å; K13-L17 VanDerWaalsContact O-N 3.16Å |
| 14 | L | 57.1 | Low | 53.9 | Low | 104 Ų | 104 | 123 Ų | 123 | 55% | 0.545 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64 | -46.2 | 176.5 | -130.1 | 85.6 | 0 | 0 | 0 | 111 | P10 A11 V16 L17 F18 | P10-L14 PolarHBondContact O-N 2.78Å; A11-L14 PolarHBondContact O-N 2.81Å; L14-V16 VanDerWaalsContact C-N 3.34Å; L14-V16 PolarHBondContact O-N 2.03Å; L14-L17 PolarHBondContact O-N 2.85Å; L14-F18 HydrophobicContact CD2-CD2 4.49Å; L14-F18 HydrophobicContact CD2-CE2 3.84Å; L14-F18 HydrophobicContact CG-CD2 4.38Å; L14-F18 HydrophobicContact CG-CE2 4.04Å; L14-F18 WeakPolarHBondContact O-CD2 3.05Å; L14-F18 PolarHBondContact O-N 2.81Å |
| 15 | I | 63.6 | Low | 54.3 | Low | 107 Ų | 107 | 114.9 Ų | 114.9 | 55% | 0.549 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -60.1 | -43.2 | 178.9 | -67.7 | 160.9 | 0 | 0 | 0 | 111.1 | A11 L17 F18 T19 | A11-I15 WeakPolarHBondContact O-CD1 3.46Å; A11-I15 WeakPolarHBondContact O-CG1 3.41Å; A11-I15 PolarHBondContact O-N 3.27Å; A11-I15 VanDerWaalsContact O-N 3.15Å; I15-L17 PolarHBondContact O-N 2.86Å; I15-F18 PolarHBondContact O-N 3.17Å; I15-T19 WeakPolarHBondContact O-CG2 3.38Å; I15-T19 PolarHBondContact O-N 2.88Å; I15-T19 PolarHBondContact O-OG1 2.86Å |
| 16 | V | 64.1 | Low | 54.4 | Low | 89 Ų | 89 | 115.9 Ų | 115.9 | 54% | 0.539 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.9 | -40.8 | 178.6 | 173 | 0 | 0 | 0 | 0 | 111.8 | M12 K13 L14 T19 A20 | M12-V16 VanDerWaalsContact O-CG2 3.29Å; M12-V16 WeakPolarHBondContact O-CG2 3.45Å; M12-V16 PolarHBondContact O-N 2.04Å; K13-V16 PolarHBondContact O-N 2.86Å; L14-V16 VanDerWaalsContact C-N 3.34Å; L14-V16 PolarHBondContact O-N 2.03Å; V16-T19 WeakPolarHBondContact CA-OG1 3.04Å; V16-T19 PolarHBondContact O-N 3.45Å; V16-T19 PolarHBondContact O-OG1 3.39Å; V16-A20 WeakPolarHBondContact O-CB 3.22Å; V16-A20 PolarHBondContact O-N 2.91Å |
| 17 | L | 58.3 | Low | 54.7 | Low | 115 Ų | 115 | 114.8 Ų | 114.8 | 60% | 0.602 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65 | -42.4 | 175.1 | -72.2 | 167.1 | 0 | 0 | 0 | 111.7 | K13 L14 I15 T19 A20 S21 | K13-L17 WeakPolarHBondContact O-CG 3.38Å; K13-L17 PolarHBondContact O-N 2.87Å; K13-L17 VanDerWaalsContact O-N 3.16Å; L14-L17 PolarHBondContact O-N 2.85Å; I15-L17 PolarHBondContact O-N 2.86Å; L17-T19 PolarHBondContact O-N 3.09Å; L17-A20 PolarHBondContact O-N 2.84Å; L17-S21 PolarHBondContact O-N 2.74Å; L17-S21 PolarHBondContact O-OG 3.45Å |
| 18 | F | 55.8 | Low | 54.9 | Low | 127 Ų | 127 | 113.3 Ų | 113.3 | 56% | 0.557 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.9 | -39.6 | 175.6 | -84 | -69.8 | 0 | 0 | 0 | 112.7 | L14 I15 S21 F22 | L14-F18 HydrophobicContact CD2-CD2 4.49Å; L14-F18 HydrophobicContact CD2-CE2 3.84Å; L14-F18 HydrophobicContact CG-CD2 4.38Å; L14-F18 HydrophobicContact CG-CE2 4.04Å; L14-F18 WeakPolarHBondContact O-CD2 3.05Å; L14-F18 PolarHBondContact O-N 2.81Å; I15-F18 PolarHBondContact O-N 3.17Å; F18-S21 PolarHBondContact O-N 3.18Å; F18-F22 PolarHBondContact O-N 3.29Å; F18-F22 VanDerWaalsContact O-N 3.14Å |
| 19 | T | 57.1 | Low | 55 | Low | 78 Ų | 78 | 117.6 Ų | 117.6 | 48% | 0.479 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.7 | -33.4 | 176.3 | 53 | 0 | 0 | 0 | 0 | 113.1 | I15 V16 L17 S23 | I15-T19 WeakPolarHBondContact O-CG2 3.38Å; I15-T19 PolarHBondContact O-N 2.88Å; I15-T19 PolarHBondContact O-OG1 2.86Å; V16-T19 WeakPolarHBondContact CA-OG1 3.04Å; V16-T19 PolarHBondContact O-N 3.45Å; V16-T19 PolarHBondContact O-OG1 3.39Å; L17-T19 PolarHBondContact O-N 3.09Å; T19-S23 PolarHBondContact O-N 3.47Å; T19-S23 VanDerWaalsContact O-N 3.11Å; T19-S23 PolarHBondContact O-OG 3.15Å |
| 20 | A | 57.1 | Low | 55.9 | Low | 49 Ų | 49 | 117.3 Ų | 117.3 | 41% | 0.405 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -69.3 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V16 L17 S23 W24 | V16-A20 WeakPolarHBondContact O-CB 3.22Å; V16-A20 PolarHBondContact O-N 2.91Å; L17-A20 PolarHBondContact O-N 2.84Å; A20-S23 PolarHBondContact O-N 2.88Å; A20-W24 PolarHBondContact O-N 2.82Å |
| 21 | S | 57 | Low | 57.1 | Low | 77 Ų | 77 | 118.7 Ų | 118.7 | 54% | 0.538 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.1 | -40.3 | 176.6 | -51.4 | 0 | 0 | 0 | 0 | 112.6 | L17 F18 W24 A25 | L17-S21 PolarHBondContact O-N 2.74Å; L17-S21 PolarHBondContact O-OG 3.45Å; F18-S21 PolarHBondContact O-N 3.18Å; S21-W24 PolarHBondContact O-N 2.67Å; S21-A25 PolarHBondContact O-N 2.88Å |
| 22 | F | 53.5 | Low | 58.6 | Low | 137 Ų | 137 | 118.3 Ų | 118.3 | 60% | 0.601 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.2 | -35.7 | 175 | -98.6 | -83.5 | 0 | 0 | 0 | 112.4 | F18 W24 A25 F26 | F18-F22 PolarHBondContact O-N 3.29Å; F18-F22 VanDerWaalsContact O-N 3.14Å; F22-W24 VanDerWaalsContact C-N 3.28Å; F22-W24 PolarHBondContact O-N 3.49Å; F22-A25 PolarHBondContact O-N 2.87Å; F22-F26 HydrophobicContact CD1-CE2 4.15Å; F22-F26 WeakPolarHBondContact O-CD2 3.26Å; F22-F26 PolarHBondContact O-N 2.87Å |
| 23 | S | 52.3 | Low | 60.4 | Low | 72 Ų | 72 | 114 Ų | 114 | 50% | 0.503 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.4 | -31.8 | 176.8 | -56.1 | 0 | 0 | 0 | 0 | 112.3 | T19 A20 | T19-S23 PolarHBondContact O-N 3.47Å; T19-S23 VanDerWaalsContact O-N 3.11Å; T19-S23 PolarHBondContact O-OG 3.15Å; A20-S23 PolarHBondContact O-N 2.88Å |
| 24 | W | 47.6 | Very low | 62.3 | Low | 218 Ų | 218 | 113 Ų | 113 | 83% | 0.826 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -75.9 | -32.3 | 174.8 | -84.8 | 50.3 | 0 | 0 | 0 | 113.1 | A20 S21 F22 F26 Q27 | A20-W24 PolarHBondContact O-N 2.82Å; S21-W24 PolarHBondContact O-N 2.67Å; F22-W24 VanDerWaalsContact C-N 3.28Å; F22-W24 PolarHBondContact O-N 3.49Å; W24-F26 VanDerWaalsContact C-N 3.28Å; W24-F26 PolarHBondContact O-N 2.76Å; W24-Q27 PolarHBondContact O-N 2.79Å |
| 25 | A | 48.2 | Very low | 64.2 | Low | 74 Ų | 74 | 109 Ų | 109 | 61% | 0.612 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -70.7 | -21.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S21 F22 | S21-A25 PolarHBondContact O-N 2.88Å; F22-A25 PolarHBondContact O-N 2.87Å |
| 26 | F | 49.4 | Very low | 65.8 | Low | 176 Ų | 176 | 111.8 Ų | 111.8 | 77% | 0.772 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 6.4 | 178.1 | -87.8 | -81.1 | 0 | 0 | 0 | 114.3 | F22 W24 | F22-F26 HydrophobicContact CD1-CE2 4.15Å; F22-F26 WeakPolarHBondContact O-CD2 3.26Å; F22-F26 PolarHBondContact O-N 2.87Å; W24-F26 VanDerWaalsContact C-N 3.28Å; W24-F26 PolarHBondContact O-N 2.76Å |
| 27 | Q | 47.4 | Very low | 67.3 | Low | 162 Ų | 162 | 110 Ų | 110 | 76% | 0.757 | 57% | 0.565 | S | S | * | * | trans | -109 | 24.5 | -177.1 | -155.9 | 151.4 | -12.7 | 0 | 0 | 113.8 | W24 | W24-Q27 PolarHBondContact O-N 2.79Š| ||
| 28 | E | 52.1 | Low | 69 | Low | 172 Ų | 172 | 112.3 Ų | 112.3 | 80% | 0.804 | 57% | 0.566 | S | S | * | * | trans | -85.1 | 110.5 | 160.3 | -75.8 | -176.9 | 165.9 | 0 | 0 | 108.5 | ||||
| 29 | Q | 56.6 | Low | 70.8 | Confident | 180 Ų | 180 | 107.4 Ų | 107.4 | 84% | 0.841 | 55% | 0.546 | S | S | * | . | trans | -60.4 | 127.8 | 164.4 | -75.1 | -164.5 | -47.6 | 0 | 0 | 107.9 | V31 | Q29-V31 PolarHBondContact O-N 3.45Š| ||
| 30 | P | 68 | Low | 72.4 | Confident | 96 Ų | 96 | 108.4 Ų | 108.4 | 62% | 0.623 | 55% | 0.554 | S | S | * | * | trans | -61.9 | 114.7 | 179.5 | 23 | -30.4 | 0 | 0 | 0 | 108.7 | P32 W81 | P30-P32 WeakPolarHBondContact O-CD 3.21Å; P30-W81 HydrophobicContact CB-CZ2 4.44Å | ||
| 31 | V | 83.9 | Confident | 74 | Confident | 129 Ų | 129 | 112.2 Ų | 112.2 | 78% | 0.782 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 121.1 | 173.4 | 179.5 | 0 | 0 | 0 | 0 | 107.3 | Q29 | Q29-V31 PolarHBondContact O-N 3.45Š|
| 32 | P | 88.7 | Confident | 75.7 | Confident | 42 Ų | 42 | 111.9 Ų | 111.9 | 27% | 0.273 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -65.1 | 130.3 | -175.3 | 24.2 | -32.2 | 0 | 0 | 0 | 110.2 | P30 D49 W81 | P30-P32 WeakPolarHBondContact O-CD 3.21Å; P32-D49 HydrophobicContact CB-CB 4.08Å; P32-D49 HydrophobicContact CG-CB 4.08Å; P32-W81 HydrophobicContact CB-CE3 4.29Å; P32-W81 HydrophobicContact CB-CH2 3.78Å; P32-W81 HydrophobicContact CB-CZ3 3.49Å; P32-W81 VanDerWaalsContact CB-CZ3 3.49Å |
| 33 | P | 95.1 | Very high | 77.5 | Confident | 50 Ų | 50 | 108.6 Ų | 108.6 | 33% | 0.325 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 151.5 | 171.6 | -22.1 | 33.8 | 0 | 0 | 0 | 110.5 | Q50 W81 | P33-Q50 HydrophobicContact CB-CG 4.34Å; P33-Q50 VanDerWaalsContact O-CB 3.31Å; P33-Q50 WeakPolarHBondContact O-CB 3.22Å; P33-Q50 VanDerWaalsContact O-CG 3.3Å; P33-Q50 WeakPolarHBondContact O-CG 3.03Å; P33-Q50 PolarHBondContact O-N 3.08Å; P33-W81 VanDerWaalsContact CD-CD2 3.43Å; P33-W81 HydrophobicContact CG-CB 3.93Å; P33-W81 HydrophobicContact CG-CD2 4.09Å; P33-W81 HydrophobicContact CG-CG 3.83Å |
| 34 | K | 96 | Very high | 79.5 | Confident | 119 Ų | 119 | 110.7 Ų | 110.7 | 52% | 0.517 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.6 | 159.1 | -178.9 | -58 | -158 | 178.6 | -130.3 | 0 | 112.8 | S47 C48 D49 Q50 | K34-S47 WeakPolarHBondContact CD-OG 3.34Å; K34-C48 CarbonylContact C-O 3.55Å; K34-C48 WeakPolarHBondContact CA-O 3.17Å; K34-C48 WeakPolarHBondContact CB-O 3.46Å; K34-D49 WeakPolarHBondContact CE-OD1 3.49Å; K34-D49 IonicContact NZ-OD1 2.8Å; K34-D49 PolarHBondContact NZ-OD1 3.1Å; K34-Q50 PolarHBondContact O-NE2 2.04Å; K34-Q50 VanDerWaalsContact O-NE2 3.08Å |
| 35 | Y | 96.2 | Very high | 81.7 | Confident | 19 Ų | 19 | 104.6 Ų | 104.6 | 8% | 0.075 | 55% | 0.549 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 157.3 | 171.1 | 75.7 | -78.7 | 0 | 0 | 0 | 110.3 | Y37 C48 D49 Q50 H60 W83 | Y35-Y37 HydrophobicContact CE2-CD2 4.45Å; Y35-Y37 HydrophobicContact CE2-CG 4.43Å; Y35-C48 HydrophobicContact CD1-CB 3.9Å; Y35-C48 WeakPolarHBondContact CD1-O 3.17Å; Y35-C48 HydrophobicContact CE1-CB 3.35Å; Y35-C48 HydrophobicContact CE2-CB 4.26Å; Y35-C48 PolarHBondContact N-O 3.01Å; Y35-C48 PolarHBondContact O-N 2.86Å; Y35-D49 WeakPolarHBondContact CE1-O 3.05Å; Y35-Q50 HydrophobicContact CD1-CG 3.79Å; Y35-Q50 HydrophobicContact CG-CG 4.41Å; Y35-H60 AromaticContact CE2-ND1 3.9Å; Y35-H60 AromaticContact CZ-ND1 3.68Å; Y35-H60 PolarHBondContact OH-ND1 2.84Å; Y35-W83 HydrophobicContact CD1-CB 3.55Å; Y35-W83 HydrophobicContact CD1-CG 4.41Å; Y35-W83 HydrophobicContact CD2-CB 3.54Å; Y35-W83 AromaticContact CD2-CG 3.8Å; Y35-W83 HydrophobicContact CD2-CG 3.8Å; Y35-W83 HydrophobicContact CE1-CB 3.76Å; Y35-W83 HydrophobicContact CE2-CB 3.78Å; Y35-W83 HydrophobicContact CE2-CG 4.37Å; Y35-W83 HydrophobicContact CG-CB 3.44Å; Y35-W83 VanDerWaalsContact CG-CB 3.44Å; Y35-W83 HydrophobicContact CG-CD2 4.32Å; Y35-W83 AromaticContact CG-CG 3.84Å; Y35-W83 HydrophobicContact CG-CG 3.84Å |
| 36 | Q | 96.6 | Very high | 83.9 | Confident | 166 Ų | 166 | 102.3 Ų | 102.3 | 78% | 0.776 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 127.3 | 176.1 | -68.4 | -174.2 | -8.7 | 0 | 0 | 110.1 | V45 H46 | Q36-V45 HydrophobicContact CB-CG1 4.14Å; Q36-V45 HydrophobicContact CG-CG1 4.45Å; Q36-H46 WeakPolarHBondContact CA-O 3.16Å |
| 37 | Y | 95.8 | Very high | 86.1 | Confident | 53 Ų | 53 | 97.7 Ų | 97.7 | 21% | 0.208 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132.7 | 176 | 179.2 | -114.4 | 0 | 0 | 0 | 110.1 | Y35 D39 P40 V45 H46 H60 | Y35-Y37 HydrophobicContact CE2-CD2 4.45Å; Y35-Y37 HydrophobicContact CE2-CG 4.43Å; Y37-D39 HydrophobicContact CE1-CB 4.46Å; Y37-P40 WeakPolarHBondContact OH-CD 3.19Å; Y37-V45 CarbonylContact O-C 3.57Å; Y37-V45 WeakPolarHBondContact O-CA 3.09Å; Y37-H46 PolarHBondContact N-O 2.91Å; Y37-H46 PolarHBondContact O-N 3.19Å; Y37-H60 HydrophobicContact CD1-CB 3.53Å; Y37-H60 HydrophobicContact CD2-CB 4.02Å; Y37-H60 AromaticContact CD2-CD2 3.83Å; Y37-H60 AromaticContact CD2-CG 3.62Å; Y37-H60 AromaticContact CD2-ND1 3.79Å; Y37-H60 HydrophobicContact CE1-CB 3.41Å; Y37-H60 VanDerWaalsContact CE1-CB 3.41Å; Y37-H60 AromaticContact CE1-CG 3.9Å; Y37-H60 HydrophobicContact CE2-CB 3.92Å; Y37-H60 AromaticContact CE2-CD2 3.16Å; Y37-H60 WeakPolarHBondContact CE2-CD2 3.44Å; Y37-H60 AromaticContact CE2-CE1 3.99Å; Y37-H60 AromaticContact CE2-CG 3.41Å; Y37-H60 VanDerWaalsContact CE2-CG 3.41Å; Y37-H60 AromaticContact CE2-ND1 3.93Å; Y37-H60 AromaticContact CE2-NE2 3.56Å; Y37-H60 HydrophobicContact CG-CB 3.83Å; Y37-H60 AromaticContact CG-CG 3.95Å; Y37-H60 AromaticContact CZ-CD2 3.3Å; Y37-H60 AromaticContact CZ-CG 3.55Å; Y37-H60 PolarHBondContact OH-CD2 3.31Å |
| 38 | R | 95.6 | Very high | 88.5 | Confident | 162 Ų | 162 | 90 Ų | 90 | 61% | 0.611 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 115.4 | 172.5 | -170.1 | 177.9 | -173 | -156.2 | -0.7 | 109.1 | P40 S43 Q44 V45 | R38-P40 WeakPolarHBondContact O-CD 3.4Å; R38-S43 PolarHBondContact NE-O 2.8Å; R38-Q44 CarbonylContact C-O 3.41Å; R38-Q44 WeakPolarHBondContact CA-O 3.34Å; R38-V45 HydrophobicContact CB-CG2 4.35Å; R38-V45 HydrophobicContact CG-CG2 4.24Å |
| 39 | D | 91.8 | Very high | 90.6 | Very high | 25 Ų | 25 | 84.1 Ų | 84.1 | 13% | 0.134 | 45% | 0.453 | C | S | . | . | trans | -63.3 | 121.3 | 177.6 | 176.1 | -7.8 | 0 | 0 | 0 | 109.6 | Y37 V41 T42 S43 Q44 | Y37-D39 HydrophobicContact CE1-CB 4.46Å; D39-V41 PolarHBondContact O-N 2.9Å; D39-V41 WeakPolarHBondContact OD1-CB 3.39Å; D39-V41 PolarHBondContact OD1-N 2.02Å; D39-T42 WeakPolarHBondContact CB-OG1 3.07Å; D39-T42 PolarHBondContact OD1-N 2.97Å; D39-T42 WeakPolarHBondContact OD2-CG2 3.32Å; D39-T42 PolarHBondContact OD2-OG1 2.83Å; D39-S43 WeakPolarHBondContact O-CA 3.3Å; D39-S43 PolarHBondContact O-N 2.78Å; D39-Q44 PolarHBondContact N-O 3.27Å | ||
| 40 | P | 91.3 | Very high | 92.5 | Very high | 99 Ų | 99 | 76.6 Ų | 76.6 | 64% | 0.643 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -21 | -178.4 | 26.4 | -34.6 | 0 | 0 | 0 | 113.5 | Y37 R38 | Y37-P40 WeakPolarHBondContact OH-CD 3.19Å; R38-P40 WeakPolarHBondContact O-CD 3.4Å |
| 41 | V | 91.4 | Very high | 93.9 | Very high | 129 Ų | 129 | 72 Ų | 72 | 78% | 0.782 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -50.8 | -179.4 | -176.4 | 0 | 0 | 0 | 0 | 110.8 | D39 | D39-V41 PolarHBondContact O-N 2.9Å; D39-V41 WeakPolarHBondContact OD1-CB 3.39Å; D39-V41 PolarHBondContact OD1-N 2.02Å |
| 42 | T | 92.7 | Very high | 94.5 | Very high | 70 Ų | 70 | 68.1 Ų | 68.1 | 43% | 0.429 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -11.8 | -174.7 | 64.7 | 0 | 0 | 0 | 0 | 113.7 | D39 Q44 | D39-T42 WeakPolarHBondContact CB-OG1 3.07Å; D39-T42 PolarHBondContact OD1-N 2.97Å; D39-T42 WeakPolarHBondContact OD2-CG2 3.32Å; D39-T42 PolarHBondContact OD2-OG1 2.83Å; T42-Q44 PolarHBondContact O-N 3.31Å; T42-Q44 VanDerWaalsContact O-N 3.09Å; T42-Q44 PolarHBondContact OG1-N 2.83Å |
| 43 | S | 91.8 | Very high | 95 | Very high | 67 Ų | 67 | 68.3 Ų | 68.3 | 47% | 0.469 | 37% | 0.367 | S | S | . | . | trans | 60.1 | 7 | -172 | -72.5 | 0 | 0 | 0 | 0 | 115.4 | R38 D39 | R38-S43 PolarHBondContact NE-O 2.8Å; D39-S43 WeakPolarHBondContact O-CA 3.3Å; D39-S43 PolarHBondContact O-N 2.78Å | ||
| 44 | Q | 92.9 | Very high | 95.1 | Very high | 116 Ų | 116 | 66.2 Ų | 66.2 | 54% | 0.542 | 35% | 0.354 | S | S | . | . | trans | -76.8 | 152.4 | 176.9 | -65.3 | -173.9 | 1 | 0 | 0 | 111.4 | R38 D39 T42 | R38-Q44 CarbonylContact C-O 3.41Å; R38-Q44 WeakPolarHBondContact CA-O 3.34Å; D39-Q44 PolarHBondContact N-O 3.27Å; T42-Q44 PolarHBondContact O-N 3.31Å; T42-Q44 VanDerWaalsContact O-N 3.09Å; T42-Q44 PolarHBondContact OG1-N 2.83Å | ||
| 45 | V | 95.1 | Very high | 95.2 | Very high | 90 Ų | 90 | 61.9 Ų | 61.9 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 125 | 177.3 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | Q36 Y37 R38 | Q36-V45 HydrophobicContact CB-CG1 4.14Å; Q36-V45 HydrophobicContact CG-CG1 4.45Å; Y37-V45 CarbonylContact O-C 3.57Å; Y37-V45 WeakPolarHBondContact O-CA 3.09Å; R38-V45 HydrophobicContact CB-CG2 4.35Å; R38-V45 HydrophobicContact CG-CG2 4.24Å |
| 46 | H | 94.2 | Very high | 95.3 | Very high | 26 Ų | 26 | 61.1 Ų | 61.1 | 12% | 0.12 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 148.8 | 177.8 | -57.1 | -63.9 | 0 | 0 | 0 | 111 | Q36 Y37 | Q36-H46 WeakPolarHBondContact CA-O 3.16Å; Y37-H46 PolarHBondContact N-O 2.91Å; Y37-H46 PolarHBondContact O-N 3.19Å |
| 47 | S | 95.9 | Very high | 95.3 | Very high | 79 Ų | 79 | 53.4 Ų | 53.4 | 55% | 0.552 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 98.2 | 170.6 | -173.2 | 0 | 0 | 0 | 0 | 108.8 | K34 | K34-S47 WeakPolarHBondContact CD-OG 3.34Å |
| 48 | C | 96.2 | Very high | 95.4 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 150.3 | -174.5 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | K34 Y35 C61 | K34-C48 CarbonylContact C-O 3.55Å; K34-C48 WeakPolarHBondContact CA-O 3.17Å; K34-C48 WeakPolarHBondContact CB-O 3.46Å; Y35-C48 HydrophobicContact CD1-CB 3.9Å; Y35-C48 WeakPolarHBondContact CD1-O 3.17Å; Y35-C48 HydrophobicContact CE1-CB 3.35Å; Y35-C48 HydrophobicContact CE2-CB 4.26Å; Y35-C48 PolarHBondContact N-O 3.01Å; Y35-C48 PolarHBondContact O-N 2.86Å; C48-C61 WeakPolarHBondContact CA-SG 3.35Å; C48-C61 HydrophobicContact CB-CB 3.72Å; C48-C61 WeakPolarHBondContact CB-SG 3.07Å; C48-C61 WeakPolarHBondContact SG-CB 3.35Å; C48-C61 CovalentContact SG-SG 2.03Å; C48-C61 PolarHBondContact SG-SG 2.93Å |
| 49 | D | 96.6 | Very high | 95.5 | Very high | 48 Ų | 48 | 54.2 Ų | 54.2 | 26% | 0.257 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 140.5 | 173 | -61.5 | -17.3 | 0 | 0 | 0 | 109.7 | P32 K34 Y35 T67 | P32-D49 HydrophobicContact CB-CB 4.08Å; P32-D49 HydrophobicContact CG-CB 4.08Å; K34-D49 WeakPolarHBondContact CE-OD1 3.49Å; K34-D49 IonicContact NZ-OD1 2.8Å; K34-D49 PolarHBondContact NZ-OD1 3.1Å; Y35-D49 WeakPolarHBondContact CE1-O 3.05Å; D49-T67 PolarHBondContact N-OG1 3.16Å; D49-T67 WeakPolarHBondContact O-CB 3.32Å; D49-T67 PolarHBondContact O-OG1 3.05Å |
| 50 | Q | 97.3 | Very high | 95.7 | Very high | 22 Ų | 22 | 55.4 Ų | 55.4 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 161.5 | 176.2 | -67.7 | -177.3 | 34.9 | 0 | 0 | 111.2 | P33 K34 Y35 W81 W83 | P33-Q50 HydrophobicContact CB-CG 4.34Å; P33-Q50 VanDerWaalsContact O-CB 3.31Å; P33-Q50 WeakPolarHBondContact O-CB 3.22Å; P33-Q50 VanDerWaalsContact O-CG 3.3Å; P33-Q50 WeakPolarHBondContact O-CG 3.03Å; P33-Q50 PolarHBondContact O-N 3.08Å; K34-Q50 PolarHBondContact O-NE2 2.04Å; K34-Q50 VanDerWaalsContact O-NE2 3.08Å; Y35-Q50 HydrophobicContact CD1-CG 3.79Å; Y35-Q50 HydrophobicContact CG-CG 4.41Å; Q50-W81 HydrophobicContact CB-CB 4.31Å; Q50-W81 HydrophobicContact CB-CE3 4.17Å; Q50-W81 WeakPolarHBondContact O-CZ3 3.38Å; Q50-W81 PolarHBondContact OE1-O 2.8Å; Q50-W83 HydrophobicContact CG-CE3 4.02Å |
| 51 | C | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -85.1 | 140.1 | 173 | -72.7 | 0 | 0 | 0 | 0 | 111 | T55 V57 C69 W81 H82 | C51-T55 WeakPolarHBondContact CB-OG1 3.22Å; C51-V57 HydrophobicContact CB-CG2 4.46Å; C51-C69 WeakPolarHBondContact CA-SG 3.45Å; C51-C69 HydrophobicContact CB-CB 3.89Å; C51-C69 WeakPolarHBondContact CB-SG 3.46Å; C51-C69 VanDerWaalsContact SG-CA 3.59Å; C51-C69 WeakPolarHBondContact SG-CB 3.44Å; C51-C69 CovalentContact SG-SG 2.04Å; C51-C69 PolarHBondContact SG-SG 2.77Å; C51-W81 VanDerWaalsContact O-CA 3.27Å; C51-W81 WeakPolarHBondContact O-CA 3.35Å; C51-H82 PolarHBondContact N-O 3.41Å; C51-H82 PolarHBondContact O-N 3.18Å; C51-H82 VanDerWaalsContact O-N 3.1Å |
| 52 | P | 97.2 | Very high | 95.9 | Very high | 46 Ų | 46 | 47.6 Ų | 47.6 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 164.1 | 179.8 | 29.1 | -35.9 | 0 | 0 | 0 | 112.4 | G54 T55 W81 | P52-G54 PolarHBondContact O-N 3.42Å; P52-T55 VanDerWaalsContact CD-OG1 3.22Å; P52-T55 WeakPolarHBondContact CD-OG1 3.12Å; P52-T55 HydrophobicContact CG-CG2 4.33Å; P52-T55 WeakPolarHBondContact CG-OG1 3.37Å; P52-T55 PolarHBondContact O-N 3.45Å; P52-T55 PolarHBondContact O-OG1 2.95Å; P52-W81 HydrophobicContact CB-CD2 4.35Å; P52-W81 HydrophobicContact CB-CE3 4.12Å; P52-W81 HydrophobicContact CB-CH2 3.81Å; P52-W81 HydrophobicContact CB-CZ2 4.03Å; P52-W81 HydrophobicContact CB-CZ3 3.85Å; P52-W81 HydrophobicContact CG-CZ3 4.43Å |
| 53 | P | 97.8 | Very high | 95.7 | Very high | 47 Ų | 47 | 47.8 Ų | 47.8 | 31% | 0.305 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | 138.8 | 169.3 | -26.7 | 34.9 | 0 | 0 | 0 | 111.7 | A78 E79 T107 | P53-A78 CarbonylContact C-O 3.48Å; P53-A78 WeakPolarHBondContact CA-O 3.38Å; P53-A78 WeakPolarHBondContact CB-O 3.19Å; P53-E79 WeakPolarHBondContact CB-O 3.16Å; P53-E79 VanDerWaalsContact CG-O 3.26Å; P53-E79 WeakPolarHBondContact CG-O 3.06Å; P53-T107 HydrophobicContact CB-CG2 4.34Å |
| 54 | G | 97.7 | Very high | 95.7 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 6% | 0.062 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | -6.5 | -174 | 0 | 0 | 0 | 0 | 0 | 115.9 | P52 C72 A78 S106 | P52-G54 PolarHBondContact O-N 3.42Å; G54-C72 VanDerWaalsContact C-SG 3.5Å; G54-C72 PolarHBondContact O-N 3.4Å; G54-C72 PolarHBondContact O-SG 3.2Å; G54-A78 PolarHBondContact N-O 3.1Å; G54-S106 WeakPolarHBondContact CA-O 3.42Å |
| 55 | T | 98.1 | Very high | 95.8 | Very high | 27 Ų | 27 | 48.5 Ų | 48.5 | 17% | 0.166 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 152.9 | -172.3 | 67.9 | 0 | 0 | 0 | 0 | 112.6 | C51 P52 Q70 H82 | C51-T55 WeakPolarHBondContact CB-OG1 3.22Å; P52-T55 VanDerWaalsContact CD-OG1 3.22Å; P52-T55 WeakPolarHBondContact CD-OG1 3.12Å; P52-T55 HydrophobicContact CG-CG2 4.33Å; P52-T55 WeakPolarHBondContact CG-OG1 3.37Å; P52-T55 PolarHBondContact O-N 3.45Å; P52-T55 PolarHBondContact O-OG1 2.95Å; T55-Q70 CarbonylContact C-O 3.41Å; T55-Q70 WeakPolarHBondContact CA-O 3.4Å; T55-Q70 WeakPolarHBondContact CB-O 3.26Å; T55-H82 PolarHBondContact O-NE2 2.05Å |
| 56 | S | 97.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.028 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 165.1 | 170.2 | 74.3 | 0 | 0 | 0 | 0 | 111.9 | K58 C69 Q70 D85 | S56-K58 PolarHBondContact O-N 3Å; S56-C69 CarbonylContact O-C 3.49Å; S56-C69 VanDerWaalsContact O-CA 3.3Å; S56-C69 WeakPolarHBondContact O-CA 3.49Å; S56-Q70 PolarHBondContact N-O 3.37Å; S56-Q70 PolarHBondContact O-N 3.11Å; S56-D85 WeakPolarHBondContact CB-O 3.36Å; S56-D85 PolarHBondContact OG-O 2.99Å |
| 57 | V | 98 | Very high | 95.9 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.024 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 119.3 | 176.6 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | C51 T67 G84 D85 | C51-V57 HydrophobicContact CB-CG2 4.46Å; V57-T67 HydrophobicContact CG1-CG2 4.01Å; V57-T67 HydrophobicContact CG2-CG2 4.13Å; V57-G84 PolarHBondContact N-O 3.2Å; V57-D85 WeakPolarHBondContact O-CA 3.5Å |
| 58 | K | 97.6 | Very high | 96 | Very high | 120 Ų | 120 | 47.7 Ų | 47.7 | 52% | 0.522 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -40.5 | 169.4 | -176.3 | 177.2 | 165.8 | -153.1 | 0 | 111.2 | S56 E68 Q70 | S56-K58 PolarHBondContact O-N 3Å; K58-E68 HydrophobicContact CB-CG 4.47Å; K58-E68 WeakPolarHBondContact CB-O 3.45Å; K58-E68 HydrophobicContact CD-CG 4.45Å; K58-E68 WeakPolarHBondContact CD-OE1 3.08Å; K58-E68 WeakPolarHBondContact CE-OE1 3.06Å; K58-E68 PolarHBondContact N-O 2.99Å; K58-E68 IonicContact NZ-OE1 3.95Å; K58-E68 PolarHBondContact NZ-OE1 3.22Å; K58-Q70 HydrophobicContact CB-CB 4Å; K58-Q70 HydrophobicContact CB-CG 3.9Å; K58-Q70 HydrophobicContact CD-CB 4.21Å |
| 59 | R | 96.3 | Very high | 96.1 | Very high | 112 Ų | 112 | 50 Ų | 50 | 42% | 0.423 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 129.4 | 178.2 | -168.3 | 169.1 | 61 | 92.2 | 2.5 | 109.8 | T65 E68 | R59-T65 PolarHBondContact NH1-OG1 3.37Å; R59-E68 HydrophobicContact CB-CB 3.94Å; R59-E68 IonicContact CZ-OE2 3.8Å; R59-E68 PolarHBondContact N-O 3.18Å; R59-E68 IonicContact NE-OE2 3.17Å; R59-E68 PolarHBondContact NE-OE2 3.31Å; R59-E68 VanDerWaalsContact NE-OE2 3.13Å; R59-E68 IonicContact NH2-OE2 3.52Å; R59-E68 PolarHBondContact O-N 2.82Å |
| 60 | H | 96.5 | Very high | 96.2 | Very high | 50 Ų | 50 | 51.2 Ų | 51.2 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | trans | -67.7 | 157.1 | 176.2 | -59.7 | -70.8 | 0 | 0 | 0 | 111.4 | Y35 Y37 | Y35-H60 AromaticContact CE2-ND1 3.9Å; Y35-H60 AromaticContact CZ-ND1 3.68Å; Y35-H60 PolarHBondContact OH-ND1 2.84Å; Y37-H60 HydrophobicContact CD1-CB 3.53Å; Y37-H60 HydrophobicContact CD2-CB 4.02Å; Y37-H60 AromaticContact CD2-CD2 3.83Å; Y37-H60 AromaticContact CD2-CG 3.62Å; Y37-H60 AromaticContact CD2-ND1 3.79Å; Y37-H60 HydrophobicContact CE1-CB 3.41Å; Y37-H60 VanDerWaalsContact CE1-CB 3.41Å; Y37-H60 AromaticContact CE1-CG 3.9Å; Y37-H60 HydrophobicContact CE2-CB 3.92Å; Y37-H60 AromaticContact CE2-CD2 3.16Å; Y37-H60 WeakPolarHBondContact CE2-CD2 3.44Å; Y37-H60 AromaticContact CE2-CE1 3.99Å; Y37-H60 AromaticContact CE2-CG 3.41Å; Y37-H60 VanDerWaalsContact CE2-CG 3.41Å; Y37-H60 AromaticContact CE2-ND1 3.93Å; Y37-H60 AromaticContact CE2-NE2 3.56Å; Y37-H60 HydrophobicContact CG-CB 3.83Å; Y37-H60 AromaticContact CG-CG 3.95Å; Y37-H60 AromaticContact CZ-CD2 3.3Å; Y37-H60 AromaticContact CZ-CG 3.55Å; Y37-H60 PolarHBondContact OH-CD2 3.31Å | ||
| 61 | C | 95.5 | Very high | 96.2 | Very high | 10 Ų | 10 | 55.1 Ų | 55.1 | 7% | 0.068 | 31% | 0.312 | C | S | . | . | trans | -64.8 | 153 | 176.3 | 87.6 | 0 | 0 | 0 | 0 | 111.7 | C48 T65 | C48-C61 WeakPolarHBondContact CA-SG 3.35Å; C48-C61 HydrophobicContact CB-CB 3.72Å; C48-C61 WeakPolarHBondContact CB-SG 3.07Å; C48-C61 WeakPolarHBondContact SG-CB 3.35Å; C48-C61 CovalentContact SG-SG 2.03Å; C48-C61 PolarHBondContact SG-SG 2.93Å; C61-T65 CarbonylContact C-O 3.53Å; C61-T65 WeakPolarHBondContact CA-O 3.05Å; C61-T65 VanDerWaalsContact CB-O 3.26Å; C61-T65 WeakPolarHBondContact CB-O 3.5Å | ||
| 62 | T | 92.6 | Very high | 96.2 | Very high | 53 Ų | 53 | 55.9 Ų | 55.9 | 33% | 0.325 | 32% | 0.317 | S | S | . | . | trans | -115.3 | -174.7 | 167.3 | 66.3 | 0 | 0 | 0 | 0 | 109 | D64 T65 | T62-D64 PolarHBondContact O-N 3Å; T62-D64 PolarHBondContact OG1-N 3.12Å; T62-T65 PolarHBondContact N-O 3.21Å; T62-T65 PolarHBondContact OG1-N 2.77Å; T62-T65 VanDerWaalsContact OG1-N 3.1Å; T62-T65 PolarHBondContact OG1-OG1 3.38Å | ||
| 63 | A | 88.6 | Confident | 96.2 | Very high | 74 Ų | 74 | 57.3 Ų | 57.3 | 61% | 0.612 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -56 | -33.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 64 | D | 91.1 | Very high | 96 | Very high | 152 Ų | 152 | 63.6 Ų | 63.6 | 81% | 0.813 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -112.9 | -14.3 | -172.2 | -53.8 | -53.8 | 0 | 0 | 0 | 114.1 | T62 | T62-D64 PolarHBondContact O-N 3Å; T62-D64 PolarHBondContact OG1-N 3.12Å |
| 65 | T | 93.8 | Very high | 95.9 | Very high | 46 Ų | 46 | 71.4 Ų | 71.4 | 28% | 0.282 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -121.9 | 134.2 | -176.6 | 64.6 | 0 | 0 | 0 | 0 | 111.6 | R59 C61 T62 | R59-T65 PolarHBondContact NH1-OG1 3.37Å; C61-T65 CarbonylContact C-O 3.53Å; C61-T65 WeakPolarHBondContact CA-O 3.05Å; C61-T65 VanDerWaalsContact CB-O 3.26Å; C61-T65 WeakPolarHBondContact CB-O 3.5Å; T62-T65 PolarHBondContact N-O 3.21Å; T62-T65 PolarHBondContact OG1-N 2.77Å; T62-T65 VanDerWaalsContact OG1-N 3.1Å; T62-T65 PolarHBondContact OG1-OG1 3.38Å |
| 66 | P | 95.6 | Very high | 95.9 | Very high | 95 Ų | 95 | 72.6 Ų | 72.6 | 62% | 0.617 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 169.8 | 176.8 | 32.2 | -36 | 0 | 0 | 0 | 111.2 | E68 | P66-E68 PolarHBondContact O-N 3.4Š|
| 67 | T | 96.8 | Very high | 95.8 | Very high | 20 Ų | 20 | 73 Ų | 73 | 12% | 0.123 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 130.9 | 172.1 | -50 | 0 | 0 | 0 | 0 | 110.2 | D49 V57 | D49-T67 PolarHBondContact N-OG1 3.16Å; D49-T67 WeakPolarHBondContact O-CB 3.32Å; D49-T67 PolarHBondContact O-OG1 3.05Å; V57-T67 HydrophobicContact CG1-CG2 4.01Å; V57-T67 HydrophobicContact CG2-CG2 4.13Å |
| 68 | E | 97.8 | Very high | 95.8 | Very high | 64 Ų | 64 | 73 Ų | 73 | 30% | 0.299 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 119.9 | 174.3 | -168.6 | -177.9 | 157.6 | 0 | 0 | 109 | K58 R59 P66 | K58-E68 HydrophobicContact CB-CG 4.47Å; K58-E68 WeakPolarHBondContact CB-O 3.45Å; K58-E68 HydrophobicContact CD-CG 4.45Å; K58-E68 WeakPolarHBondContact CD-OE1 3.08Å; K58-E68 WeakPolarHBondContact CE-OE1 3.06Å; K58-E68 PolarHBondContact N-O 2.99Å; K58-E68 IonicContact NZ-OE1 3.95Å; K58-E68 PolarHBondContact NZ-OE1 3.22Å; R59-E68 HydrophobicContact CB-CB 3.94Å; R59-E68 IonicContact CZ-OE2 3.8Å; R59-E68 PolarHBondContact N-O 3.18Å; R59-E68 IonicContact NE-OE2 3.17Å; R59-E68 PolarHBondContact NE-OE2 3.31Å; R59-E68 VanDerWaalsContact NE-OE2 3.13Å; R59-E68 IonicContact NH2-OE2 3.52Å; R59-E68 PolarHBondContact O-N 2.82Å; P66-E68 PolarHBondContact O-N 3.4Å |
| 69 | C | 98 | Very high | 95.8 | Very high | 49 Ų | 49 | 73.1 Ų | 73.1 | 33% | 0.331 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 147.1 | 179 | -55.1 | 0 | 0 | 0 | 0 | 111 | C51 S56 | C51-C69 WeakPolarHBondContact CA-SG 3.45Å; C51-C69 HydrophobicContact CB-CB 3.89Å; C51-C69 WeakPolarHBondContact CB-SG 3.46Å; C51-C69 VanDerWaalsContact SG-CA 3.59Å; C51-C69 WeakPolarHBondContact SG-CB 3.44Å; C51-C69 CovalentContact SG-SG 2.04Å; C51-C69 PolarHBondContact SG-SG 2.77Å; S56-C69 CarbonylContact O-C 3.49Å; S56-C69 VanDerWaalsContact O-CA 3.3Å; S56-C69 WeakPolarHBondContact O-CA 3.49Å |
| 70 | Q | 98 | Very high | 95.8 | Very high | 74 Ų | 74 | 73.2 Ų | 73.2 | 35% | 0.346 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 147.6 | 174.9 | 62 | -173.9 | -18.7 | 0 | 0 | 110.7 | T55 S56 K58 | T55-Q70 CarbonylContact C-O 3.41Å; T55-Q70 WeakPolarHBondContact CA-O 3.4Å; T55-Q70 WeakPolarHBondContact CB-O 3.26Å; S56-Q70 PolarHBondContact N-O 3.37Å; S56-Q70 PolarHBondContact O-N 3.11Å; K58-Q70 HydrophobicContact CB-CB 4Å; K58-Q70 HydrophobicContact CB-CG 3.9Å; K58-Q70 HydrophobicContact CD-CB 4.21Å |
| 71 | P | 98.1 | Very high | 95.8 | Very high | 104 Ų | 104 | 74.8 Ų | 74.8 | 68% | 0.675 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 147.2 | 178.6 | 27.3 | -34.8 | 0 | 0 | 0 | 111.4 | ||
| 72 | C | 98.1 | Very high | 95.8 | Very high | 16 Ų | 16 | 76.1 Ų | 76.1 | 11% | 0.108 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 136.1 | 172.8 | -66.1 | 0 | 0 | 0 | 0 | 110.6 | G54 H76 C87 | G54-C72 VanDerWaalsContact C-SG 3.5Å; G54-C72 PolarHBondContact O-N 3.4Å; G54-C72 PolarHBondContact O-SG 3.2Å; C72-H76 HydrophobicContact CB-CB 4.34Å; C72-H76 WeakPolarHBondContact CB-O 3.46Å; C72-C87 WeakPolarHBondContact CA-SG 3.41Å; C72-C87 HydrophobicContact CB-CB 3.75Å; C72-C87 WeakPolarHBondContact CB-SG 3.34Å; C72-C87 WeakPolarHBondContact SG-CB 3.13Å; C72-C87 CovalentContact SG-SG 2.04Å; C72-C87 PolarHBondContact SG-SG 3.28Å |
| 73 | P | 96.4 | Very high | 96 | Very high | 77 Ų | 77 | 80.5 Ų | 80.5 | 50% | 0.5 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 169.4 | 174.6 | 28 | -32.7 | 0 | 0 | 0 | 111.2 | R75 H76 | P73-R75 PolarHBondContact O-N 3.32Å; P73-H76 HydrophobicContact CG-CB 4.09Å; P73-H76 PolarHBondContact O-N 3.43Å; P73-H76 VanDerWaalsContact O-N 3.15Å |
| 74 | E | 94.7 | Very high | 96.4 | Very high | 179 Ų | 179 | 78.1 Ų | 78.1 | 84% | 0.836 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 142.2 | 176.6 | -68.3 | -172.1 | 178 | 0 | 0 | 111.7 | H76 | E74-H76 PolarHBondContact O-N 2.87Å; E74-H76 PolarHBondContact O-ND1 3.42Å |
| 75 | R | 94.5 | Very high | 96.6 | Very high | 170 Ų | 170 | 75.8 Ų | 75.8 | 64% | 0.642 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 23.2 | -177 | -51.6 | -178.1 | 179.6 | 175.4 | -0.3 | 114.9 | P73 Y89 C90 | P73-R75 PolarHBondContact O-N 3.32Å; R75-Y89 HydrophobicContact CB-CE2 3.92Å; R75-Y89 WeakPolarHBondContact O-CD2 3.27Å; R75-C90 WeakPolarHBondContact O-CB 3.31Å; R75-C90 PolarHBondContact O-N 3.17Å |
| 76 | H | 97.2 | Very high | 96.8 | Very high | 52 Ų | 52 | 78.3 Ų | 78.3 | 24% | 0.241 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 154.8 | 172.6 | -61.5 | 71.8 | 0 | 0 | 0 | 111.6 | C72 P73 E74 C87 Q88 Y89 | C72-H76 HydrophobicContact CB-CB 4.34Å; C72-H76 WeakPolarHBondContact CB-O 3.46Å; P73-H76 HydrophobicContact CG-CB 4.09Å; P73-H76 PolarHBondContact O-N 3.43Å; P73-H76 VanDerWaalsContact O-N 3.15Å; E74-H76 PolarHBondContact O-N 2.87Å; E74-H76 PolarHBondContact O-ND1 3.42Å; H76-C87 HydrophobicContact CB-CB 3.71Å; H76-Q88 CarbonylContact C-O 3.55Å; H76-Q88 WeakPolarHBondContact CA-O 3.3Å; H76-Q88 VanDerWaalsContact CB-O 3.32Å; H76-Q88 WeakPolarHBondContact CB-O 3.41Å; H76-Y89 AromaticContact CE1-CD2 3.59Å; H76-Y89 AromaticContact NE2-CD2 3.6Å |
| 77 | F | 97.6 | Very high | 96.9 | Very high | 12 Ų | 12 | 74.4 Ų | 74.4 | 5% | 0.053 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 160.3 | -177.6 | 78.2 | -80.6 | 0 | 0 | 0 | 113.5 | E79 C87 Q88 N105 S106 H108 D109 | F77-E79 HydrophobicContact CD2-CB 4.34Å; F77-E79 HydrophobicContact CE2-CB 4.32Å; F77-C87 WeakPolarHBondContact O-CB 3.31Å; F77-Q88 HydrophobicContact CD1-CB 4.09Å; F77-Q88 WeakPolarHBondContact CD1-O 3.11Å; F77-Q88 HydrophobicContact CE1-CB 3.7Å; F77-Q88 HydrophobicContact CZ-CB 3.92Å; F77-Q88 PolarHBondContact N-O 3.22Å; F77-Q88 PolarHBondContact O-N 3.43Å; F77-N105 WeakPolarHBondContact CB-O 3.34Å; F77-S106 CarbonylContact C-O 3.44Å; F77-S106 WeakPolarHBondContact CA-O 3.4Å; F77-H108 VanDerWaalsContact CD2-C 3.49Å; F77-H108 VanDerWaalsContact CD2-CA 3.48Å; F77-H108 VanDerWaalsContact CG-C 3.44Å; F77-D109 HydrophobicContact CD1-CB 4.02Å; F77-D109 HydrophobicContact CE1-CB 3.5Å; F77-D109 HydrophobicContact CE2-CB 4.14Å; F77-D109 HydrophobicContact CZ-CB 3.58Å |
| 78 | A | 97.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 79.5 Ų | 79.5 | 3% | 0.033 | 40% | 0.399 | C | S | . | . | trans | -140.6 | 110.7 | 168 | 0 | 0 | 0 | 0 | 0 | 108.5 | P53 G54 H82 S106 T107 | P53-A78 CarbonylContact C-O 3.48Å; P53-A78 WeakPolarHBondContact CA-O 3.38Å; P53-A78 WeakPolarHBondContact CB-O 3.19Å; G54-A78 PolarHBondContact N-O 3.1Å; A78-H82 WeakPolarHBondContact CB-NE2 3.46Å; A78-S106 PolarHBondContact N-O 3.3Å; A78-T107 WeakPolarHBondContact O-CA 3.43Å | ||
| 79 | E | 96.2 | Very high | 96.8 | Very high | 122 Ų | 122 | 82 Ų | 82 | 57% | 0.57 | 41% | 0.406 | S | S | * | . | trans | -82.6 | -32.2 | -174.6 | -174.3 | 176.6 | -171.3 | 0 | 0 | 113.5 | P53 F77 T107 | P53-E79 WeakPolarHBondContact CB-O 3.16Å; P53-E79 VanDerWaalsContact CG-O 3.26Å; P53-E79 WeakPolarHBondContact CG-O 3.06Å; F77-E79 HydrophobicContact CD2-CB 4.34Å; F77-E79 HydrophobicContact CE2-CB 4.32Å; E79-T107 WeakPolarHBondContact CA-O 3.24Å; E79-T107 WeakPolarHBondContact CB-O 3.21Å | ||
| 80 | N | 96.2 | Very high | 96.7 | Very high | 114 Ų | 114 | 80.5 Ų | 80.5 | 61% | 0.61 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -120.1 | 163.6 | -175.9 | -65.4 | -57.3 | 0 | 0 | 0 | 110.5 | H82 | N80-H82 PolarHBondContact O-CD2 2.9Å; N80-H82 PolarHBondContact O-N 2.89Å |
| 81 | W | 97 | Very high | 96.2 | Very high | 83 Ų | 83 | 81.8 Ų | 81.8 | 31% | 0.314 | 41% | 0.409 | S | S | . | . | trans | -57.4 | 132.3 | 167.4 | -67.5 | 82.2 | 0 | 0 | 0 | 109.8 | P30 P32 P33 Q50 C51 P52 | P30-W81 HydrophobicContact CB-CZ2 4.44Å; P32-W81 HydrophobicContact CB-CE3 4.29Å; P32-W81 HydrophobicContact CB-CH2 3.78Å; P32-W81 HydrophobicContact CB-CZ3 3.49Å; P32-W81 VanDerWaalsContact CB-CZ3 3.49Å; P33-W81 VanDerWaalsContact CD-CD2 3.43Å; P33-W81 HydrophobicContact CG-CB 3.93Å; P33-W81 HydrophobicContact CG-CD2 4.09Å; P33-W81 HydrophobicContact CG-CG 3.83Å; Q50-W81 HydrophobicContact CB-CB 4.31Å; Q50-W81 HydrophobicContact CB-CE3 4.17Å; Q50-W81 WeakPolarHBondContact O-CZ3 3.38Å; Q50-W81 PolarHBondContact OE1-O 2.8Å; C51-W81 VanDerWaalsContact O-CA 3.27Å; C51-W81 WeakPolarHBondContact O-CA 3.35Å; P52-W81 HydrophobicContact CB-CD2 4.35Å; P52-W81 HydrophobicContact CB-CE3 4.12Å; P52-W81 HydrophobicContact CB-CH2 3.81Å; P52-W81 HydrophobicContact CB-CZ2 4.03Å; P52-W81 HydrophobicContact CB-CZ3 3.85Å; P52-W81 HydrophobicContact CG-CZ3 4.43Å | ||
| 82 | H | 96.4 | Very high | 95.6 | Very high | 38 Ų | 38 | 79 Ų | 79 | 18% | 0.176 | 39% | 0.392 | C | S | . | . | B | Isolated β-bridge | trans | -153 | 168.9 | -179.4 | 73.8 | 113.2 | 0 | 0 | 0 | 112.1 | C51 T55 A78 N80 G84 | C51-H82 PolarHBondContact N-O 3.41Å; C51-H82 PolarHBondContact O-N 3.18Å; C51-H82 VanDerWaalsContact O-N 3.1Å; T55-H82 PolarHBondContact O-NE2 2.05Å; A78-H82 WeakPolarHBondContact CB-NE2 3.46Å; N80-H82 PolarHBondContact O-CD2 2.9Å; N80-H82 PolarHBondContact O-N 2.89Å; H82-G84 PolarHBondContact ND1-N 3.3Å |
| 83 | W | 96.8 | Very high | 95.2 | Very high | 145 Ų | 145 | 83.9 Ų | 83.9 | 55% | 0.549 | 42% | 0.421 | S | S | . | . | trans | -118.4 | 14.7 | -179.5 | 58.2 | 87 | 0 | 0 | 0 | 112.9 | Y35 Q50 | Y35-W83 HydrophobicContact CD1-CB 3.55Å; Y35-W83 HydrophobicContact CD1-CG 4.41Å; Y35-W83 HydrophobicContact CD2-CB 3.54Å; Y35-W83 AromaticContact CD2-CG 3.8Å; Y35-W83 HydrophobicContact CD2-CG 3.8Å; Y35-W83 HydrophobicContact CE1-CB 3.76Å; Y35-W83 HydrophobicContact CE2-CB 3.78Å; Y35-W83 HydrophobicContact CE2-CG 4.37Å; Y35-W83 HydrophobicContact CG-CB 3.44Å; Y35-W83 VanDerWaalsContact CG-CB 3.44Å; Y35-W83 HydrophobicContact CG-CD2 4.32Å; Y35-W83 AromaticContact CG-CG 3.84Å; Y35-W83 HydrophobicContact CG-CG 3.84Å; Q50-W83 HydrophobicContact CG-CE3 4.02Å | ||
| 84 | G | 96.1 | Very high | 95 | Very high | 24 Ų | 24 | 81.8 Ų | 81.8 | 25% | 0.247 | 41% | 0.408 | C | S | . | . | trans | -72.7 | 145.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V57 H82 T86 | V57-G84 PolarHBondContact N-O 3.2Å; H82-G84 PolarHBondContact ND1-N 3.3Å; G84-T86 VanDerWaalsContact C-N 3.26Å | ||
| 85 | D | 96.3 | Very high | 94.8 | Very high | 104 Ų | 104 | 78 Ų | 78 | 56% | 0.556 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -75.1 | -18.1 | 174.9 | 57.5 | -2 | 0 | 0 | 0 | 113 | S56 V57 | S56-D85 WeakPolarHBondContact CB-O 3.36Å; S56-D85 PolarHBondContact OG-O 2.99Å; V57-D85 WeakPolarHBondContact O-CA 3.5Å |
| 86 | T | 97 | Very high | 94.6 | Very high | 98 Ų | 98 | 77 Ų | 77 | 60% | 0.601 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -122.7 | 141.8 | -176.7 | 45.3 | 0 | 0 | 0 | 0 | 111.6 | G84 | G84-T86 VanDerWaalsContact C-N 3.26Š|
| 87 | C | 97.7 | Very high | 94.5 | Very high | 13 Ų | 13 | 80 Ų | 80 | 9% | 0.088 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 158.3 | 168.3 | -65 | 0 | 0 | 0 | 0 | 110.3 | C72 H76 F77 | C72-C87 WeakPolarHBondContact CA-SG 3.41Å; C72-C87 HydrophobicContact CB-CB 3.75Å; C72-C87 WeakPolarHBondContact CB-SG 3.34Å; C72-C87 WeakPolarHBondContact SG-CB 3.13Å; C72-C87 CovalentContact SG-SG 2.04Å; C72-C87 PolarHBondContact SG-SG 3.28Å; H76-C87 HydrophobicContact CB-CB 3.71Å; F77-C87 WeakPolarHBondContact O-CB 3.31Å |
| 88 | Q | 96.8 | Very high | 94.4 | Very high | 127 Ų | 127 | 81.1 Ų | 81.1 | 59% | 0.593 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 139.2 | 176.2 | -63 | -177.9 | -4.6 | 0 | 0 | 110.3 | H76 F77 | H76-Q88 CarbonylContact C-O 3.55Å; H76-Q88 WeakPolarHBondContact CA-O 3.3Å; H76-Q88 VanDerWaalsContact CB-O 3.32Å; H76-Q88 WeakPolarHBondContact CB-O 3.41Å; F77-Q88 HydrophobicContact CD1-CB 4.09Å; F77-Q88 WeakPolarHBondContact CD1-O 3.11Å; F77-Q88 HydrophobicContact CE1-CB 3.7Å; F77-Q88 HydrophobicContact CZ-CB 3.92Å; F77-Q88 PolarHBondContact N-O 3.22Å; F77-Q88 PolarHBondContact O-N 3.43Å |
| 89 | Y | 96.5 | Very high | 94.3 | Very high | 116 Ų | 116 | 84.2 Ų | 84.2 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 142 | 175.2 | -174.1 | -98.4 | 0 | 0 | 0 | 110.6 | R75 H76 T91 | R75-Y89 HydrophobicContact CB-CE2 3.92Å; R75-Y89 WeakPolarHBondContact O-CD2 3.27Å; H76-Y89 AromaticContact CE1-CD2 3.59Å; H76-Y89 AromaticContact NE2-CD2 3.6Å; Y89-T91 HydrophobicContact CD1-CG2 3.95Å; Y89-T91 PolarHBondContact O-N 2.68Å |
| 90 | C | 95.3 | Very high | 94.2 | Very high | 18 Ų | 18 | 81.5 Ų | 81.5 | 12% | 0.122 | 42% | 0.416 | C | S | . | . | trans | -72.8 | 95 | 174.4 | -67.1 | 0 | 0 | 0 | 0 | 110.3 | R75 C104 D109 | R75-C90 WeakPolarHBondContact O-CB 3.31Å; R75-C90 PolarHBondContact O-N 3.17Å; C90-C104 HydrophobicContact CB-CB 3.62Å; C90-C104 WeakPolarHBondContact CB-SG 3.07Å; C90-C104 WeakPolarHBondContact SG-CB 3.16Å; C90-C104 CovalentContact SG-SG 2.02Å; C90-C104 PolarHBondContact SG-SG 2.94Å; C90-D109 WeakPolarHBondContact CA-OD1 3.5Å; C90-D109 VanDerWaalsContact CB-OD1 3.27Å; C90-D109 WeakPolarHBondContact CB-OD1 3.46Å | ||
| 91 | T | 88.1 | Confident | 94.1 | Very high | 102 Ų | 102 | 81.8 Ų | 81.8 | 63% | 0.626 | 41% | 0.412 | S | S | * | . | trans | -92 | -21.2 | -174 | 57.9 | 0 | 0 | 0 | 0 | 113.2 | Y89 V93 | Y89-T91 HydrophobicContact CD1-CG2 3.95Å; Y89-T91 PolarHBondContact O-N 2.68Å; T91-V93 PolarHBondContact O-N 3.15Å | ||
| 92 | S | 85.8 | Confident | 94 | Very high | 46 Ų | 46 | 81.6 Ų | 81.6 | 32% | 0.322 | 41% | 0.414 | S | S | . | . | trans | -67.5 | 114.7 | -174 | -66 | 0 | 0 | 0 | 0 | 111.5 | D109 Q110 | S92-D109 WeakPolarHBondContact CB-OD2 3.17Å; S92-D109 PolarHBondContact N-OD2 3.42Å; S92-D109 PolarHBondContact OG-OD2 3.1Å; S92-Q110 WeakPolarHBondContact CB-O 3.48Å; S92-Q110 PolarHBondContact O-NE2 3.5Å; S92-Q110 PolarHBondContact OG-O 3.39Å | ||
| 93 | V | 88.8 | Confident | 93.9 | Very high | 118 Ų | 118 | 85.6 Ų | 85.6 | 72% | 0.715 | 43% | 0.433 | S | S | * | . | trans | -113.2 | 126.2 | 174.4 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | T91 K95 | T91-V93 PolarHBondContact O-N 3.15Å; V93-K95 PolarHBondContact O-N 3.47Å | ||
| 94 | C | 91.9 | Very high | 93.9 | Very high | 32 Ų | 32 | 79.9 Ų | 79.9 | 22% | 0.216 | 42% | 0.415 | C | S | . | . | trans | -68.3 | 123.4 | 178.5 | -57.8 | 0 | 0 | 0 | 0 | 110.5 | Q98 V100 C112 | C94-Q98 HydrophobicContact CB-CB 3.89Å; C94-V100 VanDerWaalsContact SG-CG2 3.54Å; C94-C112 WeakPolarHBondContact CA-SG 3.38Å; C94-C112 HydrophobicContact CB-CB 3.85Å; C94-C112 WeakPolarHBondContact CB-SG 3.06Å; C94-C112 PolarHBondContact N-SG 2.76Å; C94-C112 WeakPolarHBondContact SG-CB 3.45Å; C94-C112 CovalentContact SG-SG 2.05Å; C94-C112 PolarHBondContact SG-SG 3.29Å | ||
| 95 | K | 90.9 | Very high | 93.9 | Very high | 99 Ų | 99 | 81.9 Ų | 81.9 | 43% | 0.43 | 42% | 0.42 | S | S | . | . | trans | -79.2 | -174.2 | -178.2 | -60.5 | -176.6 | -176.4 | 178.4 | 0 | 110.8 | V93 R97 Q98 E123 | V93-K95 PolarHBondContact O-N 3.47Å; K95-R97 PolarHBondContact O-N 3.47Å; K95-Q98 WeakPolarHBondContact O-CB 3.14Å; K95-Q98 PolarHBondContact O-N 3.3Å; K95-Q98 VanDerWaalsContact O-N 3.15Å; K95-E123 IonicContact NZ-OE1 2.82Å; K95-E123 PolarHBondContact NZ-OE1 2.82Å; K95-E123 IonicContact NZ-OE2 3.13Å | ||
| 96 | E | 90.6 | Very high | 93.9 | Very high | 150 Ų | 150 | 79.4 Ų | 79.4 | 70% | 0.701 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 136.2 | 176.1 | -156.6 | -167.7 | 146.8 | 0 | 0 | 111.1 | Q98 | E96-Q98 PolarHBondContact O-N 3.41Š|
| 97 | R | 94.7 | Very high | 93.9 | Very high | 116 Ų | 116 | 77.1 Ų | 77.1 | 44% | 0.438 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 21 | -177.9 | -50.3 | -179.4 | -171.3 | -87.1 | -14 | 114.4 | K95 C114 V115 Y118 C125 | K95-R97 PolarHBondContact O-N 3.47Å; R97-C114 WeakPolarHBondContact O-CA 3.27Å; R97-V115 HydrophobicContact CB-CG2 4.05Å; R97-V115 WeakPolarHBondContact O-CG2 3.44Å; R97-V115 PolarHBondContact O-N 3.42Å; R97-Y118 PolarHBondContact NH1-OH 3.22Å; R97-C125 HydrophobicContact CB-CB 4Å |
| 98 | Q | 95.8 | Very high | 93.8 | Very high | 35 Ų | 35 | 78.3 Ų | 78.3 | 16% | 0.164 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 153.7 | 165.9 | -67.6 | 179.9 | -16.4 | 0 | 0 | 111.2 | C94 K95 E96 C112 E113 C125 | C94-Q98 HydrophobicContact CB-CB 3.89Å; K95-Q98 WeakPolarHBondContact O-CB 3.14Å; K95-Q98 PolarHBondContact O-N 3.3Å; K95-Q98 VanDerWaalsContact O-N 3.15Å; E96-Q98 PolarHBondContact O-N 3.41Å; Q98-C112 HydrophobicContact CB-CB 4.24Å; Q98-E113 CarbonylContact C-O 3.49Å; Q98-E113 WeakPolarHBondContact CA-O 3.4Å; Q98-C125 WeakPolarHBondContact CG-SG 3.5Å |
| 99 | V | 94.9 | Very high | 93.8 | Very high | 69 Ų | 69 | 73.7 Ų | 73.7 | 42% | 0.418 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 152.2 | 172.8 | -75 | 0 | 0 | 0 | 0 | 109.6 | K101 C112 E113 V115 | V99-K101 PolarHBondContact O-N 3.28Å; V99-C112 WeakPolarHBondContact O-CA 3.42Å; V99-E113 PolarHBondContact N-O 2.96Å; V99-E113 PolarHBondContact O-N 3.47Å; V99-V115 HydrophobicContact CG1-CG1 3.63Å; V99-V115 HydrophobicContact CG2-CG1 4.31Å |
| 100 | V | 95.3 | Very high | 93.7 | Very high | 65 Ų | 65 | 69.7 Ų | 69.7 | 39% | 0.394 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 110.8 | 175 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | C94 Q102 Q103 Q110 | C94-V100 VanDerWaalsContact SG-CG2 3.54Å; V100-Q102 WeakPolarHBondContact CG1-O 3.46Å; V100-Q103 HydrophobicContact CG1-CB 4.46Å; V100-Q110 HydrophobicContact CG1-CG 3.95Å; V100-Q110 HydrophobicContact CG2-CG 4.33Å |
| 101 | K | 94.4 | Very high | 93.6 | Very high | 120 Ų | 120 | 72.9 Ų | 72.9 | 52% | 0.522 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -38.7 | 172.1 | 179.4 | 177.2 | -172 | 161.9 | 0 | 110.9 | V99 L111 E113 | V99-K101 PolarHBondContact O-N 3.28Å; K101-L111 HydrophobicContact CD-CD2 3.88Å; K101-L111 PolarHBondContact N-O 2.96Å; K101-E113 HydrophobicContact CB-CB 3.96Å; K101-E113 HydrophobicContact CD-CB 4.15Å; K101-E113 WeakPolarHBondContact CD-OE2 3.39Å; K101-E113 VanDerWaalsContact CE-OE2 3.24Å; K101-E113 WeakPolarHBondContact CE-OE2 3.06Å; K101-E113 IonicContact NZ-OE2 2.75Å; K101-E113 PolarHBondContact NZ-OE2 3.47Å |
| 102 | Q | 94.1 | Very high | 93.9 | Very high | 79 Ų | 79 | 69.5 Ų | 69.5 | 37% | 0.369 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 124 | -178.8 | -173.7 | 172.7 | -23.9 | 0 | 0 | 108.7 | V100 H108 Q110 L111 | V100-Q102 WeakPolarHBondContact CG1-O 3.46Å; Q102-H108 WeakPolarHBondContact CG-NE2 3.48Å; Q102-H108 PolarHBondContact NE2-CD2 3.36Å; Q102-H108 PolarHBondContact NE2-CE1 2.99Å; Q102-H108 PolarHBondContact NE2-ND1 2.77Å; Q102-H108 PolarHBondContact NE2-NE2 2.82Å; Q102-Q110 CarbonylContact O-C 3.15Å; Q102-Q110 VanDerWaalsContact O-CA 3.31Å; Q102-Q110 WeakPolarHBondContact O-CA 3.36Å; Q102-Q110 WeakPolarHBondContact O-CG 3.08Å; Q102-L111 HydrophobicContact CB-CB 3.82Å; Q102-L111 PolarHBondContact N-O 2.96Å; Q102-L111 PolarHBondContact O-N 3.37Å |
| 103 | Q | 95 | Very high | 94.3 | Very high | 121 Ų | 121 | 69.8 Ų | 69.8 | 57% | 0.565 | 36% | 0.358 | S | S | * | . | trans | -76.3 | 140.9 | 178.8 | -168.1 | 62.7 | 49.4 | 0 | 0 | 109.6 | V100 N105 H108 | V100-Q103 HydrophobicContact CG1-CB 4.46Å; Q103-N105 PolarHBondContact O-N 3.25Å; Q103-H108 PolarHBondContact O-CD2 3.05Å; Q103-H108 PolarHBondContact O-NE2 3.42Å | ||
| 104 | C | 96.1 | Very high | 94.7 | Very high | 26 Ų | 26 | 64.4 Ų | 64.4 | 18% | 0.176 | 33% | 0.325 | C | S | . | . | trans | -54.1 | 135 | 170 | 149.1 | 0 | 0 | 0 | 0 | 110.9 | C90 Q110 | C90-C104 HydrophobicContact CB-CB 3.62Å; C90-C104 WeakPolarHBondContact CB-SG 3.07Å; C90-C104 WeakPolarHBondContact SG-CB 3.16Å; C90-C104 CovalentContact SG-SG 2.02Å; C90-C104 PolarHBondContact SG-SG 2.94Å; C104-Q110 HydrophobicContact CB-CB 3.95Å | ||
| 105 | N | 95.6 | Very high | 94.9 | Very high | 66 Ų | 66 | 64.6 Ų | 64.6 | 35% | 0.353 | 33% | 0.326 | S | S | . | . | B | Isolated β-bridge | trans | -140.2 | -170.4 | 172.2 | 80.9 | -1.2 | 0 | 0 | 0 | 110.1 | F77 Q103 T107 H108 | F77-N105 WeakPolarHBondContact CB-O 3.34Å; Q103-N105 PolarHBondContact O-N 3.25Å; N105-T107 PolarHBondContact O-N 3.14Å; N105-T107 WeakPolarHBondContact OD1-CA 3.29Å; N105-T107 PolarHBondContact OD1-N 3.06Å; N105-T107 PolarHBondContact OD1-OG1 2.69Å; N105-T107 VanDerWaalsContact OD1-OG1 3.12Å; N105-H108 PolarHBondContact N-O 2.91Å; N105-H108 PolarHBondContact ND2-CE1 3.48Å; N105-H108 VanDerWaalsContact O-O 3.11Å; N105-H108 PolarHBondContact OD1-CE1 2.65Å; N105-H108 PolarHBondContact OD1-N 3.48Å; N105-H108 PolarHBondContact OD1-ND1 3.07Å; N105-H108 PolarHBondContact OD1-NE2 3.24Å |
| 106 | S | 97.3 | Very high | 95.2 | Very high | 52 Ų | 52 | 66 Ų | 66 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -22.5 | -178.8 | 59.1 | 0 | 0 | 0 | 0 | 114.3 | G54 F77 A78 | G54-S106 WeakPolarHBondContact CA-O 3.42Å; F77-S106 CarbonylContact C-O 3.44Å; F77-S106 WeakPolarHBondContact CA-O 3.4Å; A78-S106 PolarHBondContact N-O 3.3Å |
| 107 | T | 96.9 | Very high | 95.4 | Very high | 50 Ų | 50 | 60.6 Ų | 60.6 | 31% | 0.307 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -9 | -175 | 64.2 | 0 | 0 | 0 | 0 | 114.4 | P53 A78 E79 N105 | P53-T107 HydrophobicContact CB-CG2 4.34Å; A78-T107 WeakPolarHBondContact O-CA 3.43Å; E79-T107 WeakPolarHBondContact CA-O 3.24Å; E79-T107 WeakPolarHBondContact CB-O 3.21Å; N105-T107 PolarHBondContact O-N 3.14Å; N105-T107 WeakPolarHBondContact OD1-CA 3.29Å; N105-T107 PolarHBondContact OD1-N 3.06Å; N105-T107 PolarHBondContact OD1-OG1 2.69Å; N105-T107 VanDerWaalsContact OD1-OG1 3.12Å |
| 108 | H | 95.6 | Very high | 95.5 | Very high | 38 Ų | 38 | 57.7 Ų | 57.7 | 18% | 0.176 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -157.3 | 155.7 | 179 | 51.4 | -100.8 | 0 | 0 | 0 | 112.8 | F77 Q102 Q103 N105 | F77-H108 VanDerWaalsContact CD2-C 3.49Å; F77-H108 VanDerWaalsContact CD2-CA 3.48Å; F77-H108 VanDerWaalsContact CG-C 3.44Å; Q102-H108 WeakPolarHBondContact CG-NE2 3.48Å; Q102-H108 PolarHBondContact NE2-CD2 3.36Å; Q102-H108 PolarHBondContact NE2-CE1 2.99Å; Q102-H108 PolarHBondContact NE2-ND1 2.77Å; Q102-H108 PolarHBondContact NE2-NE2 2.82Å; Q103-H108 PolarHBondContact O-CD2 3.05Å; Q103-H108 PolarHBondContact O-NE2 3.42Å; N105-H108 PolarHBondContact N-O 2.91Å; N105-H108 PolarHBondContact ND2-CE1 3.48Å; N105-H108 VanDerWaalsContact O-O 3.11Å; N105-H108 PolarHBondContact OD1-CE1 2.65Å; N105-H108 PolarHBondContact OD1-N 3.48Å; N105-H108 PolarHBondContact OD1-ND1 3.07Å; N105-H108 PolarHBondContact OD1-NE2 3.24Å |
| 109 | D | 96 | Very high | 95.5 | Very high | 29 Ų | 29 | 56.9 Ų | 56.9 | 16% | 0.155 | 32% | 0.315 | C | S | . | . | trans | -71.4 | 168.2 | 171.5 | -156.1 | 2.4 | 0 | 0 | 0 | 111.9 | F77 C90 S92 | F77-D109 HydrophobicContact CD1-CB 4.02Å; F77-D109 HydrophobicContact CE1-CB 3.5Å; F77-D109 HydrophobicContact CE2-CB 4.14Å; F77-D109 HydrophobicContact CZ-CB 3.58Å; C90-D109 WeakPolarHBondContact CA-OD1 3.5Å; C90-D109 VanDerWaalsContact CB-OD1 3.27Å; C90-D109 WeakPolarHBondContact CB-OD1 3.46Å; S92-D109 WeakPolarHBondContact CB-OD2 3.17Å; S92-D109 PolarHBondContact N-OD2 3.42Å; S92-D109 PolarHBondContact OG-OD2 3.1Å | ||
| 110 | Q | 93.9 | Very high | 95.5 | Very high | 32 Ų | 32 | 57.3 Ų | 57.3 | 15% | 0.15 | 31% | 0.314 | C | S | . | . | trans | -66.3 | 131.2 | 168.8 | -175.4 | 172.4 | -82.4 | 0 | 0 | 110.8 | S92 V100 Q102 C104 | S92-Q110 WeakPolarHBondContact CB-O 3.48Å; S92-Q110 PolarHBondContact O-NE2 3.5Å; S92-Q110 PolarHBondContact OG-O 3.39Å; V100-Q110 HydrophobicContact CG1-CG 3.95Å; V100-Q110 HydrophobicContact CG2-CG 4.33Å; Q102-Q110 CarbonylContact O-C 3.15Å; Q102-Q110 VanDerWaalsContact O-CA 3.31Å; Q102-Q110 WeakPolarHBondContact O-CA 3.36Å; Q102-Q110 WeakPolarHBondContact O-CG 3.08Å; C104-Q110 HydrophobicContact CB-CB 3.95Å | ||
| 111 | L | 93.3 | Very high | 95.5 | Very high | 85 Ų | 85 | 56.8 Ų | 56.8 | 45% | 0.445 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 128.9 | 173.4 | -168.2 | 73.1 | 0 | 0 | 0 | 110 | K101 Q102 | K101-L111 HydrophobicContact CD-CD2 3.88Å; K101-L111 PolarHBondContact N-O 2.96Å; Q102-L111 HydrophobicContact CB-CB 3.82Å; Q102-L111 PolarHBondContact N-O 2.96Å; Q102-L111 PolarHBondContact O-N 3.37Å |
| 112 | C | 94.2 | Very high | 95.3 | Very high | 32 Ų | 32 | 57.5 Ų | 57.5 | 22% | 0.216 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 142.7 | 177.9 | -59.6 | 0 | 0 | 0 | 0 | 110.7 | C94 Q98 V99 | C94-C112 WeakPolarHBondContact CA-SG 3.38Å; C94-C112 HydrophobicContact CB-CB 3.85Å; C94-C112 WeakPolarHBondContact CB-SG 3.06Å; C94-C112 PolarHBondContact N-SG 2.76Å; C94-C112 WeakPolarHBondContact SG-CB 3.45Å; C94-C112 CovalentContact SG-SG 2.05Å; C94-C112 PolarHBondContact SG-SG 3.29Å; Q98-C112 HydrophobicContact CB-CB 4.24Å; V99-C112 WeakPolarHBondContact O-CA 3.42Å |
| 113 | E | 95.3 | Very high | 95.1 | Very high | 52 Ų | 52 | 58.9 Ų | 58.9 | 24% | 0.243 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 146.6 | 177.8 | -173.3 | 178.9 | 92.3 | 0 | 0 | 109.6 | Q98 V99 K101 P143 | Q98-E113 CarbonylContact C-O 3.49Å; Q98-E113 WeakPolarHBondContact CA-O 3.4Å; V99-E113 PolarHBondContact N-O 2.96Å; V99-E113 PolarHBondContact O-N 3.47Å; K101-E113 HydrophobicContact CB-CB 3.96Å; K101-E113 HydrophobicContact CD-CB 4.15Å; K101-E113 WeakPolarHBondContact CD-OE2 3.39Å; K101-E113 VanDerWaalsContact CE-OE2 3.24Å; K101-E113 WeakPolarHBondContact CE-OE2 3.06Å; K101-E113 IonicContact NZ-OE2 2.75Å; K101-E113 PolarHBondContact NZ-OE2 3.47Å; E113-P143 VanDerWaalsContact CD-CG 3.47Å; E113-P143 HydrophobicContact CG-CB 3.38Å; E113-P143 HydrophobicContact CG-CG 3.66Å |
| 114 | C | 97.1 | Very high | 95 | Very high | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.027 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 142.7 | 173.3 | -67 | 0 | 0 | 0 | 0 | 111.1 | R97 L120 C125 | R97-C114 WeakPolarHBondContact O-CA 3.27Å; C114-L120 PolarHBondContact SG-N 3.36Å; C114-C125 WeakPolarHBondContact CA-SG 3.49Å; C114-C125 HydrophobicContact CB-CB 3.88Å; C114-C125 WeakPolarHBondContact CB-SG 3.19Å; C114-C125 VanDerWaalsContact SG-CA 3.56Å; C114-C125 WeakPolarHBondContact SG-CB 3.46Å; C114-C125 CovalentContact SG-SG 2.04Å; C114-C125 PolarHBondContact SG-SG 3.33Å |
| 115 | V | 96.6 | Very high | 95 | Very high | 37 Ų | 37 | 59.6 Ų | 59.6 | 22% | 0.224 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 155.7 | 174.6 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | R97 V99 G117 Y118 | R97-V115 HydrophobicContact CB-CG2 4.05Å; R97-V115 WeakPolarHBondContact O-CG2 3.44Å; R97-V115 PolarHBondContact O-N 3.42Å; V99-V115 HydrophobicContact CG1-CG1 3.63Å; V99-V115 HydrophobicContact CG2-CG1 4.31Å; V115-G117 PolarHBondContact O-N 3.1Å; V115-Y118 HydrophobicContact CG2-CD2 3.54Å; V115-Y118 HydrophobicContact CG2-CE2 4.02Å; V115-Y118 HydrophobicContact CG2-CG 4.25Å; V115-Y118 PolarHBondContact O-N 3.19Å; V115-Y118 VanDerWaalsContact O-N 3.12Å |
| 116 | P | 95.6 | Very high | 95 | Very high | 128 Ų | 128 | 60.1 Ų | 60.1 | 83% | 0.831 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 132.6 | 178.3 | -28.9 | 35.8 | 0 | 0 | 0 | 113 | ||
| 117 | G | 95.1 | Very high | 95 | Very high | 36 Ų | 36 | 60 Ų | 60 | 37% | 0.371 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | 4.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | V115 A127 H128 | V115-G117 PolarHBondContact O-N 3.1Å; G117-A127 WeakPolarHBondContact O-CA 3.17Å; G117-H128 VanDerWaalsContact C-ND1 3.34Å; G117-H128 WeakPolarHBondContact CA-ND1 3.34Å; G117-H128 PolarHBondContact O-N 3.44Å |
| 118 | Y | 96.9 | Very high | 95 | Very high | 55 Ų | 55 | 59.5 Ų | 59.5 | 22% | 0.216 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 153.7 | 177.5 | -65.3 | -101.9 | 0 | 0 | 0 | 111.1 | R97 V115 C125 I126 A127 H128 | R97-Y118 PolarHBondContact NH1-OH 3.22Å; V115-Y118 HydrophobicContact CG2-CD2 3.54Å; V115-Y118 HydrophobicContact CG2-CE2 4.02Å; V115-Y118 HydrophobicContact CG2-CG 4.25Å; V115-Y118 PolarHBondContact O-N 3.19Å; V115-Y118 VanDerWaalsContact O-N 3.12Å; Y118-C125 HydrophobicContact CD1-CB 4.4Å; Y118-C125 WeakPolarHBondContact CD1-O 3.11Å; Y118-I126 CarbonylContact C-O 3.44Å; Y118-I126 WeakPolarHBondContact CA-O 3.45Å; Y118-I126 VanDerWaalsContact CD1-C 3.43Å; Y118-A127 VanDerWaalsContact CD1-CA 3.49Å; Y118-A127 HydrophobicContact CD1-CB 4.07Å; Y118-A127 VanDerWaalsContact CD1-N 3.26Å; Y118-A127 HydrophobicContact CE1-CB 3.69Å; Y118-H128 PolarHBondContact O-NE2 3.29Å |
| 119 | H | 96.5 | Very high | 94.9 | Very high | 18 Ų | 18 | 60.6 Ų | 60.6 | 8% | 0.083 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 152.4 | 172.9 | 71.7 | -66.9 | 0 | 0 | 0 | 111.3 | V121 C125 I126 H128 T142 P143 D146 | H119-V121 VanDerWaalsContact CD2-CG2 3.48Å; H119-V121 WeakPolarHBondContact CD2-CG2 3.47Å; H119-V121 WeakPolarHBondContact NE2-CG2 3.28Å; H119-V121 PolarHBondContact O-N 3.37Å; H119-C125 CarbonylContact O-C 3.52Å; H119-C125 WeakPolarHBondContact O-CA 3.39Å; H119-I126 PolarHBondContact N-O 3.33Å; H119-I126 PolarHBondContact ND1-O 3.15Å; H119-I126 VanDerWaalsContact ND1-O 3.1Å; H119-I126 PolarHBondContact O-N 2.99Å; H119-H128 AromaticContact ND1-CD2 3.78Å; H119-T142 VanDerWaalsContact CB-O 3.22Å; H119-T142 WeakPolarHBondContact CB-O 3.45Å; H119-P143 CarbonylContact C-O 3.47Å; H119-P143 VanDerWaalsContact CA-O 3.25Å; H119-P143 WeakPolarHBondContact CA-O 3.5Å; H119-D146 IonicContact CE1-OD1 3.47Å |
| 120 | L | 95.6 | Very high | 94.8 | Very high | 78 Ų | 78 | 63.8 Ų | 63.8 | 41% | 0.408 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 119.4 | -179 | -174.2 | 67 | 0 | 0 | 0 | 110.8 | C114 P143 | C114-L120 PolarHBondContact SG-N 3.36Å; L120-P143 PolarHBondContact N-O 2.85Å |
| 121 | V | 94.8 | Very high | 94.8 | Very high | 54 Ų | 54 | 62.4 Ų | 62.4 | 33% | 0.327 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 107.9 | 169.8 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | H119 E123 F124 I126 | H119-V121 VanDerWaalsContact CD2-CG2 3.48Å; H119-V121 WeakPolarHBondContact CD2-CG2 3.47Å; H119-V121 WeakPolarHBondContact NE2-CG2 3.28Å; H119-V121 PolarHBondContact O-N 3.37Å; V121-E123 VanDerWaalsContact C-N 3.33Å; V121-E123 PolarHBondContact O-N 3.36Å; V121-F124 PolarHBondContact N-O 3.49Å; V121-F124 PolarHBondContact O-N 3.16Å; V121-I126 HydrophobicContact CB-CD1 3.59Å; V121-I126 HydrophobicContact CB-CG1 4.06Å; V121-I126 HydrophobicContact CG1-CD1 4.06Å; V121-I126 HydrophobicContact CG2-CB 4.33Å; V121-I126 HydrophobicContact CG2-CD1 3.75Å; V121-I126 HydrophobicContact CG2-CG1 4.09Å |
| 122 | V | 90.6 | Very high | 94.8 | Very high | 135 Ų | 135 | 65 Ų | 65 | 82% | 0.818 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | -87.3 | -175.1 | -171.6 | 0 | 0 | 0 | 0 | 111 | ||
| 123 | E | 88.9 | Confident | 94.8 | Very high | 109 Ų | 109 | 67.2 Ų | 67.2 | 51% | 0.509 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | -2.3 | -179.2 | -71.4 | -156.4 | 110.4 | 0 | 0 | 113.9 | K95 V121 | K95-E123 IonicContact NZ-OE1 2.82Å; K95-E123 PolarHBondContact NZ-OE1 2.82Å; K95-E123 IonicContact NZ-OE2 3.13Å; V121-E123 VanDerWaalsContact C-N 3.33Å; V121-E123 PolarHBondContact O-N 3.36Å |
| 124 | F | 93 | Very high | 94.6 | Very high | 145 Ų | 145 | 64.9 Ų | 64.9 | 64% | 0.636 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 137.9 | -172.1 | -59.7 | -79.1 | 0 | 0 | 0 | 111.5 | V121 I126 | V121-F124 PolarHBondContact N-O 3.49Å; V121-F124 PolarHBondContact O-N 3.16Å; F124-I126 HydrophobicContact CB-CG1 4.48Å; F124-I126 PolarHBondContact O-N 2.69Å |
| 125 | C | 96.7 | Very high | 94.5 | Very high | 16 Ų | 16 | 68.1 Ų | 68.1 | 11% | 0.108 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 109.1 | 169.1 | -68.9 | 0 | 0 | 0 | 0 | 109.6 | R97 Q98 C114 Y118 H119 | R97-C125 HydrophobicContact CB-CB 4Å; Q98-C125 WeakPolarHBondContact CG-SG 3.5Å; C114-C125 WeakPolarHBondContact CA-SG 3.49Å; C114-C125 HydrophobicContact CB-CB 3.88Å; C114-C125 WeakPolarHBondContact CB-SG 3.19Å; C114-C125 VanDerWaalsContact SG-CA 3.56Å; C114-C125 WeakPolarHBondContact SG-CB 3.46Å; C114-C125 CovalentContact SG-SG 2.04Å; C114-C125 PolarHBondContact SG-SG 3.33Å; Y118-C125 HydrophobicContact CD1-CB 4.4Å; Y118-C125 WeakPolarHBondContact CD1-O 3.11Å; H119-C125 CarbonylContact O-C 3.52Å; H119-C125 WeakPolarHBondContact O-CA 3.39Å |
| 126 | I | 96.1 | Very high | 94.4 | Very high | 78 Ų | 78 | 66.4 Ų | 66.4 | 40% | 0.4 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 137.8 | -179.9 | -54.8 | -171.7 | 0 | 0 | 0 | 109.2 | Y118 H119 V121 F124 | Y118-I126 CarbonylContact C-O 3.44Å; Y118-I126 WeakPolarHBondContact CA-O 3.45Å; Y118-I126 VanDerWaalsContact CD1-C 3.43Å; H119-I126 PolarHBondContact N-O 3.33Å; H119-I126 PolarHBondContact ND1-O 3.15Å; H119-I126 VanDerWaalsContact ND1-O 3.1Å; H119-I126 PolarHBondContact O-N 2.99Å; V121-I126 HydrophobicContact CB-CD1 3.59Å; V121-I126 HydrophobicContact CB-CG1 4.06Å; V121-I126 HydrophobicContact CG1-CD1 4.06Å; V121-I126 HydrophobicContact CG2-CB 4.33Å; V121-I126 HydrophobicContact CG2-CD1 3.75Å; V121-I126 HydrophobicContact CG2-CG1 4.09Å; F124-I126 HydrophobicContact CB-CG1 4.48Å; F124-I126 PolarHBondContact O-N 2.69Å |
| 127 | A | 96.5 | Very high | 94.4 | Very high | 50 Ų | 50 | 60.9 Ų | 60.9 | 41% | 0.413 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 142.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | G117 Y118 S129 | G117-A127 WeakPolarHBondContact O-CA 3.17Å; Y118-A127 VanDerWaalsContact CD1-CA 3.49Å; Y118-A127 HydrophobicContact CD1-CB 4.07Å; Y118-A127 VanDerWaalsContact CD1-N 3.26Å; Y118-A127 HydrophobicContact CE1-CB 3.69Å; A127-S129 PolarHBondContact O-N 3.33Å |
| 128 | H | 96.6 | Very high | 94.4 | Very high | 39 Ų | 39 | 62.6 Ų | 62.6 | 18% | 0.181 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 137.8 | 174.5 | -67 | 149.9 | 0 | 0 | 0 | 111.2 | G117 Y118 H119 G141 T142 D146 | G117-H128 VanDerWaalsContact C-ND1 3.34Å; G117-H128 WeakPolarHBondContact CA-ND1 3.34Å; G117-H128 PolarHBondContact O-N 3.44Å; Y118-H128 PolarHBondContact O-NE2 3.29Å; H119-H128 AromaticContact ND1-CD2 3.78Å; H128-G141 PolarHBondContact CE1-O 2.9Å; H128-T142 PolarHBondContact NE2-O 3.36Å; H128-D146 WeakPolarHBondContact CA-OD1 3.29Å; H128-D146 IonicContact CD2-OD1 2.65Å |
| 129 | S | 94.3 | Very high | 94.3 | Very high | 60 Ų | 60 | 63.6 Ų | 63.6 | 42% | 0.42 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 144.4 | 174.4 | -68.5 | 0 | 0 | 0 | 0 | 111.1 | A127 D146 T147 | A127-S129 PolarHBondContact O-N 3.33Å; S129-D146 WeakPolarHBondContact CB-OD2 3.48Å; S129-D146 PolarHBondContact N-OD1 3.33Å; S129-D146 PolarHBondContact OG-OD2 2.81Å; S129-T147 WeakPolarHBondContact O-CB 3.49Å |
| 130 | T | 93.8 | Very high | 94.1 | Very high | 97 Ų | 97 | 68.9 Ų | 68.9 | 60% | 0.595 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -100.2 | 142.1 | 172.5 | 53.3 | 0 | 0 | 0 | 0 | 110 | ||
| 131 | C | 94.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 66.1 Ų | 66.1 | 2% | 0.02 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -73.3 | 139.5 | 178.6 | -57.2 | 0 | 0 | 0 | 0 | 110.6 | Y135 V137 C149 G160 G161 | C131-Y135 WeakPolarHBondContact CB-O 3.19Å; C131-V137 VanDerWaalsContact SG-CG2 3.51Å; C131-C149 WeakPolarHBondContact CA-SG 3.41Å; C131-C149 HydrophobicContact CB-CB 3.81Å; C131-C149 WeakPolarHBondContact CB-SG 3.38Å; C131-C149 WeakPolarHBondContact SG-CB 3.25Å; C131-C149 CovalentContact SG-SG 2.04Å; C131-C149 PolarHBondContact SG-SG 3.11Å; C131-G160 CarbonylContact O-C 3.6Å; C131-G160 VanDerWaalsContact O-CA 3.23Å; C131-G160 WeakPolarHBondContact O-CA 3.33Å; C131-G161 WeakPolarHBondContact CB-O 3.26Å; C131-G161 PolarHBondContact N-O 3.34Å; C131-G161 PolarHBondContact O-N 2.92Å |
| 132 | Q | 93.6 | Very high | 94.1 | Very high | 140 Ų | 140 | 66 Ų | 66 | 65% | 0.654 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 156 | 173.4 | -64.3 | -176.5 | -2.2 | 0 | 0 | 110.5 | G134 Y135 | Q132-G134 PolarHBondContact O-N 3.14Å; Q132-Y135 HydrophobicContact CB-CD2 4.37Å; Q132-Y135 WeakPolarHBondContact O-CA 3.07Å; Q132-Y135 WeakPolarHBondContact O-CB 3.07Å; Q132-Y135 PolarHBondContact O-N 3.02Å |
| 133 | P | 93.4 | Very high | 94.4 | Very high | 78 Ų | 78 | 61.1 Ų | 61.1 | 51% | 0.506 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 135.9 | 169.3 | -23 | 32.4 | 0 | 0 | 0 | 110.6 | Y135 T185 | P133-Y135 VanDerWaalsContact C-N 3.32Å; P133-T185 HydrophobicContact CB-CG2 3.95Å |
| 134 | G | 90.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | -11.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q132 C152 S158 S184 | Q132-G134 PolarHBondContact O-N 3.14Å; G134-C152 PolarHBondContact O-N 2.85Å; G134-S158 PolarHBondContact N-O 2.65Å; G134-S184 VanDerWaalsContact CA-O 3.25Å; G134-S184 WeakPolarHBondContact CA-O 3.23Å |
| 135 | Y | 95.8 | Very high | 94.8 | Very high | 73 Ų | 73 | 57.2 Ų | 57.2 | 29% | 0.286 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 140.8 | 177.6 | -66.2 | -108.8 | 0 | 0 | 0 | 109.6 | C131 Q132 P133 E150 R151 S158 | C131-Y135 WeakPolarHBondContact CB-O 3.19Å; Q132-Y135 HydrophobicContact CB-CD2 4.37Å; Q132-Y135 WeakPolarHBondContact O-CA 3.07Å; Q132-Y135 WeakPolarHBondContact O-CB 3.07Å; Q132-Y135 PolarHBondContact O-N 3.02Å; P133-Y135 VanDerWaalsContact C-N 3.32Å; Y135-E150 CarbonylContact C-O 3.59Å; Y135-E150 WeakPolarHBondContact CA-O 3.44Å; Y135-E150 WeakPolarHBondContact CB-O 3.38Å; Y135-E150 VanDerWaalsContact CD1-C 3.42Å; Y135-R151 HydrophobicContact CD1-CB 4.18Å; Y135-R151 VanDerWaalsContact CD1-N 3.34Å; Y135-R151 HydrophobicContact CE1-CB 3.86Å; Y135-R151 PolarHBondContact OH-NH2 3.18Å; Y135-S158 WeakPolarHBondContact O-CB 3.48Å; Y135-S158 PolarHBondContact O-OG 3.14Å |
| 136 | G | 94.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 155.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | T138 C149 E150 S163 C165 | G136-T138 PolarHBondContact O-N 2.87Å; G136-C149 WeakPolarHBondContact O-CA 3.34Å; G136-E150 PolarHBondContact N-O 2.04Å; G136-E150 PolarHBondContact O-N 3.38Å; G136-S163 WeakPolarHBondContact CA-O 3.34Å; G136-C165 VanDerWaalsContact CA-SG 3.57Å |
| 137 | V | 96 | Very high | 94.8 | Very high | 11 Ų | 11 | 55.8 Ų | 55.8 | 7% | 0.067 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 126.7 | 173.9 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | C131 L140 T147 S163 T164 | C131-V137 VanDerWaalsContact SG-CG2 3.51Å; V137-L140 HydrophobicContact CG1-CD2 3.96Å; V137-L140 HydrophobicContact CG1-CG 4.35Å; V137-T147 HydrophobicContact CB-CG2 4.35Å; V137-T147 HydrophobicContact CG1-CG2 3.78Å; V137-T147 HydrophobicContact CG2-CG2 3.81Å; V137-S163 PolarHBondContact N-O 3.38Å; V137-T164 HydrophobicContact CB-CG2 4.48Å; V137-T164 WeakPolarHBondContact O-CG2 3.46Å |
| 138 | T | 94.1 | Very high | 94.7 | Very high | 73 Ų | 73 | 56.6 Ų | 56.6 | 45% | 0.448 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | -36.6 | 171.5 | 54.1 | 0 | 0 | 0 | 0 | 111.8 | G136 V148 E150 | G136-T138 PolarHBondContact O-N 2.87Å; T138-V148 PolarHBondContact N-O 3.48Å; T138-V148 PolarHBondContact OG1-O 2.84Å; T138-E150 HydrophobicContact CG2-CB 3.72Å; T138-E150 HydrophobicContact CG2-CG 3.78Å |
| 139 | V | 94.1 | Very high | 94.7 | Very high | 76 Ų | 76 | 56.8 Ų | 56.8 | 46% | 0.461 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 123.9 | 173.8 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | V148 | V139-V148 HydrophobicContact CB-CB 3.96Å; V139-V148 HydrophobicContact CB-CG2 4.03Å; V139-V148 HydrophobicContact CG2-CB 4.3Å; V139-V148 HydrophobicContact CG2-CG2 4.45Å; V139-V148 PolarHBondContact O-N 3.47Å |
| 140 | L | 93.8 | Very high | 94.8 | Very high | 129 Ų | 129 | 59.5 Ų | 59.5 | 68% | 0.675 | 33% | 0.333 | S | S | * | . | trans | -68.7 | 140.1 | 175.1 | -71.1 | 166.9 | 0 | 0 | 0 | 110 | V137 | V137-L140 HydrophobicContact CG1-CD2 3.96Å; V137-L140 HydrophobicContact CG1-CG 4.35Å | ||
| 141 | G | 94.3 | Very high | 94.9 | Very high | 19 Ų | 19 | 63.3 Ų | 63.3 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | trans | -59.4 | 141.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | H128 S145 T147 | H128-G141 PolarHBondContact CE1-O 2.9Å; G141-S145 CarbonylContact C-O 3.48Å; G141-S145 WeakPolarHBondContact CA-O 3.5Å; G141-T147 PolarHBondContact N-OG1 3.39Å | ||
| 142 | T | 95.8 | Very high | 94.9 | Very high | 52 Ų | 52 | 63.5 Ų | 63.5 | 32% | 0.319 | 34% | 0.338 | S | S | . | . | trans | -113.2 | 173.1 | 176 | 66.9 | 0 | 0 | 0 | 0 | 109.2 | H119 H128 E144 S145 | H119-T142 VanDerWaalsContact CB-O 3.22Å; H119-T142 WeakPolarHBondContact CB-O 3.45Å; H128-T142 PolarHBondContact NE2-O 3.36Å; T142-E144 PolarHBondContact O-N 3.41Å; T142-E144 PolarHBondContact OG1-N 3.18Å; T142-E144 PolarHBondContact OG1-OE2 3.46Å; T142-S145 PolarHBondContact N-O 3.12Å; T142-S145 PolarHBondContact O-N 3.37Å; T142-S145 PolarHBondContact OG1-N 3.32Å; T142-S145 PolarHBondContact OG1-OG 3.28Å | ||
| 143 | P | 95.9 | Very high | 95 | Very high | 33 Ų | 33 | 60.5 Ų | 60.5 | 21% | 0.214 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -60.1 | -19 | 170.6 | -23.5 | 34.9 | 0 | 0 | 0 | 114 | E113 H119 L120 | E113-P143 VanDerWaalsContact CD-CG 3.47Å; E113-P143 HydrophobicContact CG-CB 3.38Å; E113-P143 HydrophobicContact CG-CG 3.66Å; H119-P143 CarbonylContact C-O 3.47Å; H119-P143 VanDerWaalsContact CA-O 3.25Å; H119-P143 WeakPolarHBondContact CA-O 3.5Å; L120-P143 PolarHBondContact N-O 2.85Å |
| 144 | E | 95 | Very high | 95 | Very high | 123 Ų | 123 | 64.8 Ų | 64.8 | 58% | 0.575 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -106.1 | -18.7 | -178.4 | -56.8 | 78 | -167.6 | 0 | 0 | 113.7 | T142 | T142-E144 PolarHBondContact O-N 3.41Å; T142-E144 PolarHBondContact OG1-N 3.18Å; T142-E144 PolarHBondContact OG1-OE2 3.46Å |
| 145 | S | 95.7 | Very high | 94.9 | Very high | 49 Ų | 49 | 66.4 Ų | 66.4 | 34% | 0.343 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -139 | 146.8 | -173.6 | 73.8 | 0 | 0 | 0 | 0 | 113.5 | G141 T142 | G141-S145 CarbonylContact C-O 3.48Å; G141-S145 WeakPolarHBondContact CA-O 3.5Å; T142-S145 PolarHBondContact N-O 3.12Å; T142-S145 PolarHBondContact O-N 3.37Å; T142-S145 PolarHBondContact OG1-N 3.32Å; T142-S145 PolarHBondContact OG1-OG 3.28Å |
| 146 | D | 96.9 | Very high | 94.9 | Very high | 45 Ų | 45 | 67.7 Ų | 67.7 | 24% | 0.241 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 165.4 | 175.2 | -157.3 | 5.7 | 0 | 0 | 0 | 112.7 | H119 H128 S129 | H119-D146 IonicContact CE1-OD1 3.47Å; H128-D146 WeakPolarHBondContact CA-OD1 3.29Å; H128-D146 IonicContact CD2-OD1 2.65Å; S129-D146 WeakPolarHBondContact CB-OD2 3.48Å; S129-D146 PolarHBondContact N-OD1 3.33Å; S129-D146 PolarHBondContact OG-OD2 2.81Å |
| 147 | T | 95.8 | Very high | 94.8 | Very high | 19 Ų | 19 | 69 Ų | 69 | 12% | 0.117 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 133.1 | 170.2 | -62 | 0 | 0 | 0 | 0 | 110.4 | S129 V137 G141 | S129-T147 WeakPolarHBondContact O-CB 3.49Å; V137-T147 HydrophobicContact CB-CG2 4.35Å; V137-T147 HydrophobicContact CG1-CG2 3.78Å; V137-T147 HydrophobicContact CG2-CG2 3.81Å; G141-T147 PolarHBondContact N-OG1 3.39Å |
| 148 | V | 95.8 | Very high | 94.6 | Very high | 67 Ų | 67 | 68.6 Ų | 68.6 | 41% | 0.406 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 128.2 | 176.9 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | T138 V139 | T138-V148 PolarHBondContact N-O 3.48Å; T138-V148 PolarHBondContact OG1-O 2.84Å; V139-V148 HydrophobicContact CB-CB 3.96Å; V139-V148 HydrophobicContact CB-CG2 4.03Å; V139-V148 HydrophobicContact CG2-CB 4.3Å; V139-V148 HydrophobicContact CG2-CG2 4.45Å; V139-V148 PolarHBondContact O-N 3.47Å |
| 149 | C | 96.3 | Very high | 94.3 | Very high | 42 Ų | 42 | 68.6 Ų | 68.6 | 28% | 0.284 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 129.7 | -179 | -60 | 0 | 0 | 0 | 0 | 110.6 | C131 G136 | C131-C149 WeakPolarHBondContact CA-SG 3.41Å; C131-C149 HydrophobicContact CB-CB 3.81Å; C131-C149 WeakPolarHBondContact CB-SG 3.38Å; C131-C149 WeakPolarHBondContact SG-CB 3.25Å; C131-C149 CovalentContact SG-SG 2.04Å; C131-C149 PolarHBondContact SG-SG 3.11Å; G136-C149 WeakPolarHBondContact O-CA 3.34Å |
| 150 | E | 95.6 | Very high | 94 | Very high | 117 Ų | 117 | 65.8 Ų | 65.8 | 55% | 0.547 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 155.5 | 173.6 | -66.5 | -174 | 177.8 | 0 | 0 | 111.3 | Y135 G136 T138 C152 | Y135-E150 CarbonylContact C-O 3.59Å; Y135-E150 WeakPolarHBondContact CA-O 3.44Å; Y135-E150 WeakPolarHBondContact CB-O 3.38Å; Y135-E150 VanDerWaalsContact CD1-C 3.42Å; G136-E150 PolarHBondContact N-O 2.04Å; G136-E150 PolarHBondContact O-N 3.38Å; T138-E150 HydrophobicContact CG2-CB 3.72Å; T138-E150 HydrophobicContact CG2-CG 3.78Å; E150-C152 PolarHBondContact O-N 3.02Å |
| 151 | R | 95.9 | Very high | 93.7 | Very high | 178 Ų | 178 | 60.9 Ų | 60.9 | 67% | 0.672 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 134.4 | 178.2 | 179.9 | 177.5 | -70.7 | -165.9 | -0.3 | 109.2 | Y135 | Y135-R151 HydrophobicContact CD1-CB 4.18Å; Y135-R151 VanDerWaalsContact CD1-N 3.34Å; Y135-R151 HydrophobicContact CE1-CB 3.86Å; Y135-R151 PolarHBondContact OH-NH2 3.18Å |
| 152 | C | 94.8 | Very high | 93.2 | Very high | 7 Ų | 7 | 64.5 Ų | 64.5 | 5% | 0.047 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 131.3 | 175.8 | -64.8 | 0 | 0 | 0 | 0 | 111 | G134 E150 S158 C165 | G134-C152 PolarHBondContact O-N 2.85Å; E150-C152 PolarHBondContact O-N 3.02Å; C152-S158 VanDerWaalsContact SG-CB 3.57Å; C152-C165 WeakPolarHBondContact CA-SG 3.47Å; C152-C165 HydrophobicContact CB-CB 3.88Å; C152-C165 WeakPolarHBondContact CB-SG 3.44Å; C152-C165 WeakPolarHBondContact SG-CB 3.23Å; C152-C165 CovalentContact SG-SG 2.05Å; C152-C165 PolarHBondContact SG-SG 3.3Å |
| 153 | P | 94.8 | Very high | 92.7 | Very high | 76 Ų | 76 | 64 Ų | 64 | 49% | 0.494 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 165.4 | 176.7 | 28.1 | -33.8 | 0 | 0 | 0 | 111.1 | G155 Y156 | P153-G155 PolarHBondContact O-N 3.18Å; P153-Y156 HydrophobicContact CG-CD2 3.77Å; P153-Y156 HydrophobicContact CG-CE2 4.4Å; P153-Y156 HydrophobicContact CG-CG 4.06Å; P153-Y156 WeakPolarHBondContact O-CB 3.24Å; P153-Y156 PolarHBondContact O-N 3.17Å |
| 154 | D | 92.7 | Very high | 92.6 | Very high | 169 Ų | 169 | 66.5 Ų | 66.5 | 90% | 0.904 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 135.8 | 177.8 | -70 | -31.4 | 0 | 0 | 0 | 111.2 | Y156 | D154-Y156 VanDerWaalsContact C-N 3.34Š|
| 155 | G | 89.4 | Confident | 92.5 | Very high | 36 Ų | 36 | 62.1 Ų | 62.1 | 37% | 0.371 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 4.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | P153 P167 H168 | P153-G155 PolarHBondContact O-N 3.18Å; G155-P167 CarbonylContact O-C 3.59Å; G155-H168 WeakPolarHBondContact CA-ND1 3.4Å; G155-H168 WeakPolarHBondContact O-CB 3.32Å; G155-H168 PolarHBondContact O-N 3.27Å |
| 156 | Y | 94.8 | Very high | 92.4 | Very high | 100 Ų | 100 | 65 Ų | 65 | 39% | 0.392 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 158 | 175.5 | -67.9 | -108.8 | 0 | 0 | 0 | 111.8 | P153 D154 C165 Q166 P167 H168 | P153-Y156 HydrophobicContact CG-CD2 3.77Å; P153-Y156 HydrophobicContact CG-CE2 4.4Å; P153-Y156 HydrophobicContact CG-CG 4.06Å; P153-Y156 WeakPolarHBondContact O-CB 3.24Å; P153-Y156 PolarHBondContact O-N 3.17Å; D154-Y156 VanDerWaalsContact C-N 3.34Å; Y156-C165 HydrophobicContact CD1-CB 4.36Å; Y156-Q166 CarbonylContact C-O 3.56Å; Y156-Q166 WeakPolarHBondContact CA-O 3.42Å; Y156-Q166 WeakPolarHBondContact CB-O 3.34Å; Y156-Q166 VanDerWaalsContact CD1-C 3.44Å; Y156-P167 HydrophobicContact CD1-CB 4.12Å; Y156-P167 HydrophobicContact CE1-CB 3.82Å; Y156-P167 HydrophobicContact CE1-CG 4.37Å; Y156-H168 PolarHBondContact O-NE2 3.46Å |
| 157 | F | 92.4 | Very high | 92.3 | Very high | 28 Ų | 28 | 66.7 Ų | 66.7 | 12% | 0.123 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 159.2 | 175.8 | 81.6 | -72.2 | 0 | 0 | 0 | 113.4 | Q166 H168 T183 S184 S186 D187 | F157-Q166 HydrophobicContact CD1-CB 4.34Å; F157-Q166 WeakPolarHBondContact CD1-O 3.22Å; F157-Q166 HydrophobicContact CE1-CB 3.95Å; F157-Q166 HydrophobicContact CZ-CB 4.47Å; F157-Q166 PolarHBondContact N-O 2.83Å; F157-Q166 PolarHBondContact O-N 3.05Å; F157-H168 AromaticContact CD1-CD2 3.7Å; F157-T183 WeakPolarHBondContact CB-O 3.47Å; F157-S184 CarbonylContact C-O 3.53Å; F157-S184 WeakPolarHBondContact CA-O 3.44Å; F157-S184 WeakPolarHBondContact CB-O 3.19Å; F157-S186 VanDerWaalsContact CD2-C 3.46Å; F157-D187 HydrophobicContact CD1-CB 4.09Å; F157-D187 HydrophobicContact CD2-CB 4.39Å; F157-D187 VanDerWaalsContact CD2-N 3.32Å; F157-D187 HydrophobicContact CE1-CB 3.53Å; F157-D187 HydrophobicContact CE2-CB 3.88Å; F157-D187 HydrophobicContact CG-CB 4.49Å; F157-D187 HydrophobicContact CZ-CB 3.43Å; F157-D187 VanDerWaalsContact CZ-CB 3.43Å |
| 158 | S | 93.6 | Very high | 92 | Very high | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.014 | 39% | 0.39 | C | S | . | . | trans | -144.1 | 130.5 | 169.1 | 171.8 | 0 | 0 | 0 | 0 | 109.1 | G134 Y135 C152 G160 S163 S184 | G134-S158 PolarHBondContact N-O 2.65Å; Y135-S158 WeakPolarHBondContact O-CB 3.48Å; Y135-S158 PolarHBondContact O-OG 3.14Å; C152-S158 VanDerWaalsContact SG-CB 3.57Å; S158-G160 PolarHBondContact O-N 2.71Å; S158-G160 PolarHBondContact OG-N 3.2Å; S158-S163 PolarHBondContact OG-OG 2.84Å; S158-S184 PolarHBondContact N-O 3.15Å | ||
| 159 | A | 87.7 | Confident | 91.5 | Very high | 74 Ų | 74 | 70.2 Ų | 70.2 | 61% | 0.612 | 39% | 0.393 | S | S | * | . | trans | -74.5 | -3.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 160 | G | 86.6 | Confident | 91.1 | Very high | 17 Ų | 17 | 73.3 Ų | 73.3 | 18% | 0.175 | 41% | 0.407 | C | S | . | . | S | Bend | trans | 93.1 | -179.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | C131 S158 S163 | C131-G160 CarbonylContact O-C 3.6Å; C131-G160 VanDerWaalsContact O-CA 3.23Å; C131-G160 WeakPolarHBondContact O-CA 3.33Å; S158-G160 PolarHBondContact O-N 2.71Å; S158-G160 PolarHBondContact OG-N 3.2Å; G160-S163 PolarHBondContact O-OG 2.86Å |
| 161 | G | 88.1 | Confident | 90.3 | Very high | 26 Ų | 26 | 67.8 Ų | 67.8 | 27% | 0.268 | 38% | 0.381 | S | S | . | . | B | Isolated β-bridge | trans | 88 | -136.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | C131 | C131-G161 WeakPolarHBondContact CB-O 3.26Å; C131-G161 PolarHBondContact N-O 3.34Å; C131-G161 PolarHBondContact O-N 2.92Å |
| 162 | S | 83.8 | Confident | 89.6 | Confident | 95 Ų | 95 | 63.1 Ų | 63.1 | 66% | 0.664 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -100.9 | 16.8 | -178.4 | -51.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 163 | S | 84.7 | Confident | 88.9 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 29% | 0.294 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -83 | 143.3 | 179.8 | 55.1 | 0 | 0 | 0 | 0 | 112.4 | G136 V137 S158 G160 | G136-S163 WeakPolarHBondContact CA-O 3.34Å; V137-S163 PolarHBondContact N-O 3.38Å; S158-S163 PolarHBondContact OG-OG 2.84Å; G160-S163 PolarHBondContact O-OG 2.86Å |
| 164 | T | 93.8 | Very high | 87.9 | Confident | 84 Ų | 84 | 72 Ų | 72 | 52% | 0.515 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 160.6 | 165.2 | 61.5 | 0 | 0 | 0 | 0 | 110.3 | V137 Q166 | V137-T164 HydrophobicContact CB-CG2 4.48Å; V137-T164 WeakPolarHBondContact O-CG2 3.46Å; T164-Q166 PolarHBondContact O-N 3.48Å |
| 165 | C | 93.9 | Very high | 86.7 | Confident | 32 Ų | 32 | 67.2 Ų | 67.2 | 22% | 0.216 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 128.6 | 173.2 | -65.9 | 0 | 0 | 0 | 0 | 110.4 | G136 C152 Y156 | G136-C165 VanDerWaalsContact CA-SG 3.57Å; C152-C165 WeakPolarHBondContact CA-SG 3.47Å; C152-C165 HydrophobicContact CB-CB 3.88Å; C152-C165 WeakPolarHBondContact CB-SG 3.44Å; C152-C165 WeakPolarHBondContact SG-CB 3.23Å; C152-C165 CovalentContact SG-SG 2.05Å; C152-C165 PolarHBondContact SG-SG 3.3Å; Y156-C165 HydrophobicContact CD1-CB 4.36Å |
| 166 | Q | 93.3 | Very high | 86 | Confident | 108 Ų | 108 | 69.1 Ų | 69.1 | 51% | 0.505 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 142.6 | 178.4 | -63.3 | -165.5 | -13.8 | 0 | 0 | 110.3 | Y156 F157 T164 | Y156-Q166 CarbonylContact C-O 3.56Å; Y156-Q166 WeakPolarHBondContact CA-O 3.42Å; Y156-Q166 WeakPolarHBondContact CB-O 3.34Å; Y156-Q166 VanDerWaalsContact CD1-C 3.44Å; F157-Q166 HydrophobicContact CD1-CB 4.34Å; F157-Q166 WeakPolarHBondContact CD1-O 3.22Å; F157-Q166 HydrophobicContact CE1-CB 3.95Å; F157-Q166 HydrophobicContact CZ-CB 4.47Å; F157-Q166 PolarHBondContact N-O 2.83Å; F157-Q166 PolarHBondContact O-N 3.05Å; T164-Q166 PolarHBondContact O-N 3.48Å |
| 167 | P | 94.2 | Very high | 85 | Confident | 82 Ų | 82 | 71 Ų | 71 | 53% | 0.532 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 145.8 | 176.8 | 28 | -34.2 | 0 | 0 | 0 | 110.3 | G155 Y156 | G155-P167 CarbonylContact O-C 3.59Å; Y156-P167 HydrophobicContact CD1-CB 4.12Å; Y156-P167 HydrophobicContact CE1-CB 3.82Å; Y156-P167 HydrophobicContact CE1-CG 4.37Å |
| 168 | H | 89.6 | Confident | 84.3 | Confident | 33 Ų | 33 | 71.8 Ų | 71.8 | 15% | 0.153 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 138.4 | 170.9 | -69.8 | 159.7 | 0 | 0 | 0 | 110.1 | G155 Y156 F157 L170 T183 D187 | G155-H168 WeakPolarHBondContact CA-ND1 3.4Å; G155-H168 WeakPolarHBondContact O-CB 3.32Å; G155-H168 PolarHBondContact O-N 3.27Å; Y156-H168 PolarHBondContact O-NE2 3.46Å; F157-H168 AromaticContact CD1-CD2 3.7Å; H168-L170 PolarHBondContact O-N 3.48Å; H168-T183 PolarHBondContact NE2-O 3.23Å; H168-D187 WeakPolarHBondContact CA-OD1 3.42Å |
| 169 | R | 85.9 | Confident | 83.5 | Confident | 127 Ų | 127 | 77.6 Ų | 77.6 | 48% | 0.479 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 126 | 172.7 | -171.6 | -178.4 | -51.4 | -160.9 | -0.7 | 110.5 | C171 Y174 D187 S188 C190 | R169-C171 PolarHBondContact O-N 3.11Å; R169-Y174 HydrophobicContact CG-CD2 4.2Å; R169-Y174 HydrophobicContact CG-CE2 3.74Å; R169-D187 WeakPolarHBondContact CB-OD1 3.5Å; R169-D187 WeakPolarHBondContact CB-OD2 3.26Å; R169-D187 IonicContact CZ-OD2 3.13Å; R169-D187 PolarHBondContact N-OD1 2.92Å; R169-D187 IonicContact NE-OD2 3.91Å; R169-D187 PolarHBondContact NE-OD2 3.46Å; R169-D187 IonicContact NH2-OD2 2.65Å; R169-S188 WeakPolarHBondContact O-CB 3.17Å; R169-C190 VanDerWaalsContact CD-SG 3.53Å |
| 170 | L | 87.1 | Confident | 83.1 | Confident | 107 Ų | 107 | 81 Ų | 81 | 56% | 0.56 | 45% | 0.448 | S | S | * | . | trans | -86.4 | 106.4 | 170.6 | -61.1 | 179.4 | 0 | 0 | 0 | 108.9 | H168 A172 D173 Y174 | H168-L170 PolarHBondContact O-N 3.48Å; L170-A172 PolarHBondContact O-N 3.25Å; L170-D173 WeakPolarHBondContact O-CB 3.43Å; L170-D173 PolarHBondContact O-N 2.95Å; L170-Y174 WeakPolarHBondContact O-CD2 3.12Å | ||
| 171 | C | 80.1 | Confident | 82.9 | Confident | 1 Ų | 1 | 89.8 Ų | 89.8 | 1% | 0.007 | 48% | 0.476 | C | S | . | . | G | 310 helix | trans | -62.8 | -27.4 | -177.3 | -56.2 | 0 | 0 | 0 | 0 | 113.1 | R169 D173 Y174 G175 M176 C190 | R169-C171 PolarHBondContact O-N 3.11Å; C171-D173 VanDerWaalsContact C-N 3.27Å; C171-D173 PolarHBondContact O-N 3.01Å; C171-Y174 PolarHBondContact O-N 3.2Å; C171-Y174 VanDerWaalsContact O-N 3.15Å; C171-G175 PolarHBondContact O-N 2.94Å; C171-M176 CarbonylContact C-O 3.57Å; C171-M176 HydrophobicContact CB-CB 4.25Å; C171-M176 WeakPolarHBondContact CB-O 3.48Å; C171-M176 CarbonylContact O-C 3.59Å; C171-M176 PolarHBondContact O-N 3.34Å; C171-C190 WeakPolarHBondContact CA-SG 3.46Å; C171-C190 HydrophobicContact CB-CB 3.69Å; C171-C190 WeakPolarHBondContact CB-SG 3.21Å; C171-C190 WeakPolarHBondContact SG-CA 3.42Å; C171-C190 WeakPolarHBondContact SG-CB 3.48Å; C171-C190 CovalentContact SG-SG 2.04Å; C171-C190 PolarHBondContact SG-SG 2.91Å |
| 172 | A | 79.3 | Confident | 82.7 | Confident | 79 Ų | 79 | 89.3 Ų | 89.3 | 65% | 0.653 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -59.7 | -36.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L170 Y174 G175 | L170-A172 PolarHBondContact O-N 3.25Å; A172-Y174 PolarHBondContact O-N 3.45Å; A172-G175 PolarHBondContact O-N 2.89Å |
| 173 | D | 80.9 | Confident | 82.9 | Confident | 122 Ų | 122 | 87.1 Ų | 87.1 | 65% | 0.652 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -63.3 | -25.3 | 179.8 | -62.2 | -6.6 | 0 | 0 | 0 | 112 | L170 C171 | L170-D173 WeakPolarHBondContact O-CB 3.43Å; L170-D173 PolarHBondContact O-N 2.95Å; C171-D173 VanDerWaalsContact C-N 3.27Å; C171-D173 PolarHBondContact O-N 3.01Å |
| 174 | Y | 73.1 | Confident | 83 | Confident | 149 Ų | 149 | 87.7 Ų | 87.7 | 58% | 0.584 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -100.8 | 9.8 | 178.1 | -57.4 | -84 | 0 | 0 | 0 | 112.8 | R169 L170 C171 A172 M176 | R169-Y174 HydrophobicContact CG-CD2 4.2Å; R169-Y174 HydrophobicContact CG-CE2 3.74Å; L170-Y174 WeakPolarHBondContact O-CD2 3.12Å; C171-Y174 PolarHBondContact O-N 3.2Å; C171-Y174 VanDerWaalsContact O-N 3.15Å; A172-Y174 PolarHBondContact O-N 3.45Å; Y174-M176 PolarHBondContact O-N 3.06Å |
| 175 | G | 68.1 | Low | 82.7 | Confident | 68 Ų | 68 | 86.8 Ų | 86.8 | 70% | 0.701 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 19 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | C171 A172 | C171-G175 PolarHBondContact O-N 2.94Å; A172-G175 PolarHBondContact O-N 2.89Å |
| 176 | M | 75.4 | Confident | 82.3 | Confident | 75 Ų | 75 | 87.1 Ų | 87.1 | 37% | 0.369 | 46% | 0.455 | S | S | . | . | trans | -107.5 | 159.7 | -176.8 | -64.9 | -174.7 | -168.1 | 0 | 0 | 111.1 | C171 Y174 C190 | C171-M176 CarbonylContact C-O 3.57Å; C171-M176 HydrophobicContact CB-CB 4.25Å; C171-M176 WeakPolarHBondContact CB-O 3.48Å; C171-M176 CarbonylContact O-C 3.59Å; C171-M176 PolarHBondContact O-N 3.34Å; Y174-M176 PolarHBondContact O-N 3.06Å; M176-C190 HydrophobicContact CB-CB 4.17Å; M176-C190 HydrophobicContact SD-CB 4.13Å | ||
| 177 | K | 74.2 | Confident | 82.1 | Confident | 139 Ų | 139 | 83.5 Ų | 83.5 | 60% | 0.604 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 144.4 | 170.7 | -70.3 | -164.8 | 177.1 | -171.3 | 0 | 110.5 | L179 G191 P193 | K177-L179 PolarHBondContact O-N 2.9Å; K177-G191 PolarHBondContact N-O 3.43Å; K177-G191 PolarHBondContact O-N 2.62Å; K177-P193 HydrophobicContact CD-CB 4.22Å |
| 178 | T | 77.1 | Confident | 81.7 | Confident | 46 Ų | 46 | 80 Ų | 80 | 28% | 0.282 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 110.7 | 169.5 | -49.3 | 0 | 0 | 0 | 0 | 108.7 | R180 W181 | T178-R180 WeakPolarHBondContact CG2-O 3.33Å; T178-W181 HydrophobicContact CG2-CD2 4.04Å; T178-W181 HydrophobicContact CG2-CE3 4.24Å; T178-W181 HydrophobicContact CG2-CG 4.3Å |
| 179 | L | 75.9 | Confident | 81.3 | Confident | 124 Ų | 124 | 83 Ų | 83 | 65% | 0.649 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -39.2 | 174.1 | -63.2 | -178.3 | 0 | 0 | 0 | 110.8 | K177 L189 | K177-L179 PolarHBondContact O-N 2.9Å; L179-L189 WeakPolarHBondContact CB-O 3.5Å; L179-L189 PolarHBondContact N-O 2.89Å |
| 180 | R | 80.5 | Confident | 81.1 | Confident | 144 Ų | 144 | 78.6 Ų | 78.6 | 54% | 0.543 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 130.4 | 176.1 | -173.7 | -177.3 | 168.8 | -170.6 | -4.3 | 109.2 | T178 S188 L189 | T178-R180 WeakPolarHBondContact CG2-O 3.33Å; R180-S188 WeakPolarHBondContact O-CA 3.36Å; R180-L189 HydrophobicContact CB-CB 4.07Å; R180-L189 HydrophobicContact CB-CD1 4.14Å; R180-L189 HydrophobicContact CB-CG 4.36Å; R180-L189 PolarHBondContact N-O 3.3Å; R180-L189 PolarHBondContact O-N 3.19Å |
| 181 | W | 81.5 | Confident | 79.9 | Confident | 202 Ų | 202 | 74 Ų | 74 | 77% | 0.765 | 40% | 0.4 | S | S | * | . | trans | -65.6 | 141.4 | 173.9 | -63.7 | 95.6 | 0 | 0 | 0 | 110.8 | T178 | T178-W181 HydrophobicContact CG2-CD2 4.04Å; T178-W181 HydrophobicContact CG2-CE3 4.24Å; T178-W181 HydrophobicContact CG2-CG 4.3Å | ||
| 182 | G | 83.8 | Confident | 78.4 | Confident | 16 Ų | 16 | 76.3 Ų | 76.3 | 17% | 0.165 | 42% | 0.416 | C | S | . | . | trans | -61 | 156.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S186 S188 | G182-S186 CarbonylContact C-O 3.42Å; G182-S186 VanDerWaalsContact CA-O 3.26Å; G182-S186 WeakPolarHBondContact CA-O 3.39Å; G182-S188 PolarHBondContact N-OG 3.28Å | ||
| 183 | T | 88 | Confident | 76.9 | Confident | 49 Ų | 49 | 75.7 Ų | 75.7 | 30% | 0.301 | 41% | 0.405 | S | S | . | . | B | Isolated β-bridge | trans | -118.9 | 175 | 171.6 | 61.6 | 0 | 0 | 0 | 0 | 108.9 | F157 H168 T185 S186 | F157-T183 WeakPolarHBondContact CB-O 3.47Å; H168-T183 PolarHBondContact NE2-O 3.23Å; T183-T185 PolarHBondContact O-N 3.4Å; T183-T185 VanDerWaalsContact O-N 3.07Å; T183-T185 PolarHBondContact OG1-N 2.99Å; T183-T185 PolarHBondContact OG1-OG1 3.23Å; T183-S186 PolarHBondContact N-O 3.42Å; T183-S186 PolarHBondContact O-N 3.37Å; T183-S186 PolarHBondContact OG1-N 3.46Å; T183-S186 VanDerWaalsContact OG1-N 3.17Å; T183-S186 PolarHBondContact OG1-OG 2.84Å |
| 184 | S | 88.1 | Confident | 75.1 | Confident | 54 Ų | 54 | 77.1 Ų | 77.1 | 38% | 0.378 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -21.5 | 172.1 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | G134 F157 S158 | G134-S184 VanDerWaalsContact CA-O 3.25Å; G134-S184 WeakPolarHBondContact CA-O 3.23Å; F157-S184 CarbonylContact C-O 3.53Å; F157-S184 WeakPolarHBondContact CA-O 3.44Å; F157-S184 WeakPolarHBondContact CB-O 3.19Å; S158-S184 PolarHBondContact N-O 3.15Å |
| 185 | T | 86.9 | Confident | 73.7 | Confident | 66 Ų | 66 | 74.8 Ų | 74.8 | 41% | 0.405 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -14.1 | -177.5 | 55.9 | 0 | 0 | 0 | 0 | 114.3 | P133 T183 | P133-T185 HydrophobicContact CB-CG2 3.95Å; T183-T185 PolarHBondContact O-N 3.4Å; T183-T185 VanDerWaalsContact O-N 3.07Å; T183-T185 PolarHBondContact OG1-N 2.99Å; T183-T185 PolarHBondContact OG1-OG1 3.23Å |
| 186 | S | 86.4 | Confident | 72.9 | Confident | 38 Ų | 38 | 75.8 Ų | 75.8 | 27% | 0.266 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -150.2 | 145.3 | -172.4 | 61.9 | 0 | 0 | 0 | 0 | 113.1 | F157 G182 T183 | F157-S186 VanDerWaalsContact CD2-C 3.46Å; G182-S186 CarbonylContact C-O 3.42Å; G182-S186 VanDerWaalsContact CA-O 3.26Å; G182-S186 WeakPolarHBondContact CA-O 3.39Å; T183-S186 PolarHBondContact N-O 3.42Å; T183-S186 PolarHBondContact O-N 3.37Å; T183-S186 PolarHBondContact OG1-N 3.46Å; T183-S186 VanDerWaalsContact OG1-N 3.17Å; T183-S186 PolarHBondContact OG1-OG 2.84Å |
| 187 | D | 88.6 | Confident | 71.4 | Confident | 33 Ų | 33 | 75.6 Ų | 75.6 | 18% | 0.176 | 40% | 0.395 | C | S | . | . | trans | -66.2 | 161.3 | 178.1 | -157.9 | 3 | 0 | 0 | 0 | 112.1 | F157 H168 R169 L189 | F157-D187 HydrophobicContact CD1-CB 4.09Å; F157-D187 HydrophobicContact CD2-CB 4.39Å; F157-D187 VanDerWaalsContact CD2-N 3.32Å; F157-D187 HydrophobicContact CE1-CB 3.53Å; F157-D187 HydrophobicContact CE2-CB 3.88Å; F157-D187 HydrophobicContact CG-CB 4.49Å; F157-D187 HydrophobicContact CZ-CB 3.43Å; F157-D187 VanDerWaalsContact CZ-CB 3.43Å; H168-D187 WeakPolarHBondContact CA-OD1 3.42Å; R169-D187 WeakPolarHBondContact CB-OD1 3.5Å; R169-D187 WeakPolarHBondContact CB-OD2 3.26Å; R169-D187 IonicContact CZ-OD2 3.13Å; R169-D187 PolarHBondContact N-OD1 2.92Å; R169-D187 IonicContact NE-OD2 3.91Å; R169-D187 PolarHBondContact NE-OD2 3.46Å; R169-D187 IonicContact NH2-OD2 2.65Å; D187-L189 PolarHBondContact O-N 2.8Å | ||
| 188 | S | 84.5 | Confident | 70.7 | Confident | 8 Ų | 8 | 69.4 Ų | 69.4 | 6% | 0.056 | 37% | 0.37 | C | S | . | . | trans | -61.5 | 129.7 | 166.1 | -71.1 | 0 | 0 | 0 | 0 | 110.6 | R169 R180 G182 C190 | R169-S188 WeakPolarHBondContact O-CB 3.17Å; R180-S188 WeakPolarHBondContact O-CA 3.36Å; G182-S188 PolarHBondContact N-OG 3.28Å; S188-C190 PolarHBondContact O-N 3.37Å | ||
| 189 | L | 82.6 | Confident | 69.8 | Low | 97 Ų | 97 | 71.8 Ų | 71.8 | 51% | 0.508 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 113.5 | 174.2 | -63.8 | 178.4 | 0 | 0 | 0 | 109.4 | L179 R180 D187 | L179-L189 WeakPolarHBondContact CB-O 3.5Å; L179-L189 PolarHBondContact N-O 2.89Å; R180-L189 HydrophobicContact CB-CB 4.07Å; R180-L189 HydrophobicContact CB-CD1 4.14Å; R180-L189 HydrophobicContact CB-CG 4.36Å; R180-L189 PolarHBondContact N-O 3.3Å; R180-L189 PolarHBondContact O-N 3.19Å; D187-L189 PolarHBondContact O-N 2.8Å |
| 190 | C | 81.2 | Confident | 68.6 | Low | 34 Ų | 34 | 72.1 Ų | 72.1 | 23% | 0.23 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 141.9 | 174.5 | -55.6 | 0 | 0 | 0 | 0 | 111 | R169 C171 M176 S188 | R169-C190 VanDerWaalsContact CD-SG 3.53Å; C171-C190 WeakPolarHBondContact CA-SG 3.46Å; C171-C190 HydrophobicContact CB-CB 3.69Å; C171-C190 WeakPolarHBondContact CB-SG 3.21Å; C171-C190 WeakPolarHBondContact SG-CA 3.42Å; C171-C190 WeakPolarHBondContact SG-CB 3.48Å; C171-C190 CovalentContact SG-SG 2.04Å; C171-C190 PolarHBondContact SG-SG 2.91Å; M176-C190 HydrophobicContact CB-CB 4.17Å; M176-C190 HydrophobicContact SD-CB 4.13Å; S188-C190 PolarHBondContact O-N 3.37Å |
| 191 | G | 62.3 | Low | 67.1 | Low | 11 Ų | 11 | 71 Ų | 71 | 11% | 0.113 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 143.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | K177 | K177-G191 PolarHBondContact N-O 3.43Å; K177-G191 PolarHBondContact O-N 2.62Å |
| 192 | S | 47.4 | Very low | 65.6 | Low | 48 Ų | 48 | 65.5 Ų | 65.5 | 34% | 0.336 | 37% | 0.369 | S | S | . | . | trans | -60.3 | 145 | 161.6 | -61.5 | 0 | 0 | 0 | 0 | 108.1 | D194 | S192-D194 PolarHBondContact O-N 2.87Š| ||
| 193 | P | 47.9 | Very low | 64 | Low | 66 Ų | 66 | 68.2 Ų | 68.2 | 43% | 0.429 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -61.5 | 90.8 | 167.3 | 25.3 | -30.5 | 0 | 0 | 0 | 108 | K177 I195 | K177-P193 HydrophobicContact CD-CB 4.22Å; P193-I195 PolarHBondContact O-N 3.34Å |
| 194 | D | 44 | Very low | 62.4 | Low | 153 Ų | 153 | 72 Ų | 72 | 82% | 0.818 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 27.2 | 79.6 | -177.5 | -75.2 | -51 | 0 | 0 | 0 | 114.1 | S192 | S192-D194 PolarHBondContact O-N 2.87Š|
| 195 | I | 44.4 | Very low | 61.2 | Low | 99 Ų | 99 | 71 Ų | 71 | 51% | 0.508 | 39% | 0.393 | S | S | . | . | trans | -111.7 | 87.3 | 165.9 | -51.1 | 179 | 0 | 0 | 0 | 106.6 | P193 D197 | P193-I195 PolarHBondContact O-N 3.34Å; I195-D197 HydrophobicContact CG2-CB 3.61Å; I195-D197 PolarHBondContact O-N 3.13Å | ||
| 196 | K | 49.8 | Very low | 59.8 | Low | 90 Ų | 90 | 72.6 Ų | 72.6 | 39% | 0.391 | 40% | 0.396 | S | S | . | . | trans | -73.3 | 75.9 | 153 | -75.9 | -179.8 | -179.7 | 175.9 | 0 | 106.1 | ||||
| 197 | D | 45.2 | Very low | 58.2 | Low | 70 Ų | 70 | 76 Ų | 76 | 37% | 0.374 | 41% | 0.411 | S | S | . | . | trans | -64.1 | 139.8 | -178.6 | -143.5 | -6 | 0 | 0 | 0 | 108.7 | I195 S199 | I195-D197 HydrophobicContact CG2-CB 3.61Å; I195-D197 PolarHBondContact O-N 3.13Å; D197-S199 PolarHBondContact O-N 2.86Å | ||
| 198 | C | 58 | Low | 56.5 | Low | 10 Ų | 10 | 79.4 Ų | 79.4 | 7% | 0.068 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 16.6 | -175.7 | -81.2 | 0 | 0 | 0 | 0 | 113.8 | C254 Q258 | C198-C254 HydrophobicContact CB-CB 3.72Å; C198-C254 WeakPolarHBondContact CB-SG 3.36Å; C198-C254 WeakPolarHBondContact SG-CB 3.23Å; C198-C254 CovalentContact SG-SG 2.01Å; C198-C254 PolarHBondContact SG-SG 3.26Å; C198-Q258 PolarHBondContact O-NE2 3.03Å |
| 199 | S | 58 | Low | 55.1 | Low | 95 Ų | 95 | 79.6 Ų | 79.6 | 66% | 0.664 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -165.8 | 56.1 | -177.8 | 35.5 | 0 | 0 | 0 | 0 | 113.3 | D197 | D197-S199 PolarHBondContact O-N 2.86Š|
| 200 | Q | 50.7 | Low | 54.2 | Low | 131 Ų | 131 | 76.2 Ų | 76.2 | 61% | 0.612 | 42% | 0.415 | S | S | * | . | trans | -122.9 | 122.4 | 159.1 | -83.1 | -171.2 | -5.6 | 0 | 0 | 112.8 | H202 | Q200-H202 PolarHBondContact O-CD2 2.97Å; Q200-H202 PolarHBondContact O-N 3.1Å | ||
| 201 | H | 49.3 | Very low | 53.6 | Low | 120 Ų | 120 | 74.8 Ų | 74.8 | 56% | 0.556 | 41% | 0.405 | S | S | * | . | trans | -59.3 | 97.8 | 163.9 | -72.2 | -93.2 | 0 | 0 | 0 | 108.9 | T203 | H201-T203 PolarHBondContact O-N 3.36Š| ||
| 202 | H | 51.2 | Low | 54.2 | Low | 87 Ų | 87 | 74.2 Ų | 74.2 | 40% | 0.403 | 40% | 0.399 | S | S | . | . | trans | -70.5 | 99.6 | 172.9 | -81.7 | -96.8 | 0 | 0 | 0 | 109.7 | Q200 Q335 | Q200-H202 PolarHBondContact O-CD2 2.97Å; Q200-H202 PolarHBondContact O-N 3.1Å; H202-Q335 PolarHBondContact O-NE2 2.95Å | ||
| 203 | T | 49.3 | Very low | 55.3 | Low | 74 Ų | 74 | 72.6 Ų | 72.6 | 45% | 0.454 | 39% | 0.387 | S | S | . | . | trans | -77.5 | -1.9 | 166.1 | 18.7 | 0 | 0 | 0 | 0 | 112.9 | H201 A322 | H201-T203 PolarHBondContact O-N 3.36Å; T203-A322 HydrophobicContact CG2-CB 4.44Å | ||
| 204 | L | 55.7 | Low | 56.4 | Low | 128 Ų | 128 | 70 Ų | 70 | 67% | 0.67 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -79.2 | 126.9 | 174.1 | -81.8 | 138.1 | 0 | 0 | 0 | 110.8 | H206 Q335 | L204-H206 PolarHBondContact O-N 3.5Å; L204-Q335 PolarHBondContact O-NE2 2.98Å |
| 205 | C | 60.9 | Low | 57.7 | Low | 33 Ų | 33 | 63.3 Ų | 63.3 | 22% | 0.223 | 33% | 0.334 | C | S | . | . | trans | -68 | 101.6 | 178.3 | -56.1 | 0 | 0 | 0 | 0 | 110.1 | T326 C327 | C205-T326 PolarHBondContact SG-O 3.3Å; C205-T326 PolarHBondContact SG-OG1 2.97Å; C205-C327 HydrophobicContact CB-CB 3.72Å; C205-C327 WeakPolarHBondContact CB-SG 3.17Å; C205-C327 WeakPolarHBondContact SG-CA 3.15Å; C205-C327 WeakPolarHBondContact SG-CB 3.25Å; C205-C327 PolarHBondContact SG-N 2.8Å; C205-C327 CovalentContact SG-SG 2.02Å; C205-C327 PolarHBondContact SG-SG 2.65Å | ||
| 206 | H | 58 | Low | 59.1 | Low | 99 Ų | 99 | 58.6 Ų | 58.6 | 46% | 0.458 | 31% | 0.31 | S | S | . | . | trans | -83.8 | 133.5 | 179.8 | -131.1 | 53.4 | 0 | 0 | 0 | 110 | L204 | L204-H206 PolarHBondContact O-N 3.5Š| ||
| 207 | N | 53.3 | Low | 60.1 | Low | 110 Ų | 110 | 54.3 Ų | 54.3 | 59% | 0.588 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -76.1 | -17.8 | 169.2 | -86.6 | -42.3 | 0 | 0 | 0 | 112 | Q331 | N207-Q331 PolarHBondContact OD1-NE2 2.85Š|
| 208 | D | 51.9 | Low | 61.1 | Low | 104 Ų | 104 | 52.2 Ų | 52.2 | 56% | 0.556 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -99.1 | 133.4 | -169 | -57.8 | -34.6 | 0 | 0 | 0 | 110.8 | T210 | D208-T210 PolarHBondContact O-N 3.31Š|
| 209 | A | 55.8 | Low | 61.4 | Low | 12 Ų | 12 | 53 Ų | 53 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | trans | -76.4 | 63.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L211 C212 E286 | A209-L211 PolarHBondContact O-N 2.62Å; A209-C212 WeakPolarHBondContact O-CB 3.36Å; A209-C212 PolarHBondContact O-N 3.25Å; A209-E286 HydrophobicContact CB-CB 3.68Å; A209-E286 HydrophobicContact CB-CG 3.56Å | ||
| 210 | T | 64 | Low | 61.8 | Low | 27 Ų | 27 | 48.5 Ų | 48.5 | 17% | 0.166 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.7 | -19.6 | 174.2 | 58.2 | 0 | 0 | 0 | 0 | 113.3 | D208 C212 E213 E214 H338 | D208-T210 PolarHBondContact O-N 3.31Å; T210-C212 VanDerWaalsContact C-N 3.3Å; T210-C212 PolarHBondContact O-N 3.41Å; T210-E213 WeakPolarHBondContact O-CB 3.36Å; T210-E213 PolarHBondContact O-N 2.93Å; T210-E214 WeakPolarHBondContact O-CB 3.3Å; T210-E214 VanDerWaalsContact O-CG 3.24Å; T210-E214 WeakPolarHBondContact O-CG 3.4Å; T210-E214 PolarHBondContact O-N 3.32Å; T210-H338 PolarHBondContact OG1-ND1 3.22Å; T210-H338 VanDerWaalsContact OG1-ND1 3.12Å |
| 211 | L | 68.6 | Low | 62.2 | Low | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -31.5 | 171.6 | -67.2 | 174.5 | 0 | 0 | 0 | 113.6 | A209 A215 L334 L337 H338 L349 | A209-L211 PolarHBondContact O-N 2.62Å; L211-A215 WeakPolarHBondContact O-CB 3.24Å; L211-A215 PolarHBondContact O-N 3.26Å; L211-L334 HydrophobicContact CD1-CB 4.17Å; L211-L334 HydrophobicContact CD1-CD2 3.8Å; L211-L337 HydrophobicContact CD1-CB 3.77Å; L211-L337 HydrophobicContact CD1-CD1 4.18Å; L211-L337 HydrophobicContact CD2-CB 3.88Å; L211-L337 HydrophobicContact CG-CB 4.49Å; L211-H338 HydrophobicContact CD2-CB 4.25Å; L211-L349 HydrophobicContact CB-CD2 4.19Å; L211-L349 HydrophobicContact CD2-CD2 3.95Å |
| 212 | C | 74.3 | Confident | 62.8 | Low | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -75.6 | -36.8 | 176.5 | -73.6 | 0 | 0 | 0 | 0 | 111.2 | A209 T210 A215 V216 V282 C285 E286 | A209-C212 WeakPolarHBondContact O-CB 3.36Å; A209-C212 PolarHBondContact O-N 3.25Å; T210-C212 VanDerWaalsContact C-N 3.3Å; T210-C212 PolarHBondContact O-N 3.41Å; C212-A215 PolarHBondContact O-N 3.27Å; C212-V216 WeakPolarHBondContact O-CB 3.02Å; C212-V216 VanDerWaalsContact O-CG2 3.31Å; C212-V216 WeakPolarHBondContact O-CG2 3.47Å; C212-V216 PolarHBondContact O-N 3.14Å; C212-V282 HydrophobicContact CB-CG1 4.36Å; C212-C285 HydrophobicContact CB-CB 3.66Å; C212-C285 WeakPolarHBondContact CB-SG 3.48Å; C212-C285 WeakPolarHBondContact SG-CB 2.85Å; C212-C285 CovalentContact SG-SG 2.05Å; C212-C285 PolarHBondContact SG-SG 3.44Å; C212-E286 HydrophobicContact CB-CG 3.76Å; C212-E286 PolarHBondContact SG-N 2.89Å; C212-E286 VanDerWaalsContact SG-N 3.42Å |
| 213 | E | 71.9 | Confident | 63.3 | Low | 14 Ų | 14 | 37.4 Ų | 37.4 | 7% | 0.065 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.2 | -49.8 | 168.8 | -64 | -168.6 | 149.9 | 0 | 0 | 111 | T210 A215 V216 F217 R265 R268 V282 | T210-E213 WeakPolarHBondContact O-CB 3.36Å; T210-E213 PolarHBondContact O-N 2.93Å; E213-A215 VanDerWaalsContact C-N 3.32Å; E213-A215 PolarHBondContact O-N 3.5Å; E213-V216 PolarHBondContact O-N 3.43Å; E213-F217 HydrophobicContact CB-CD2 3.88Å; E213-F217 HydrophobicContact CB-CE2 4.06Å; E213-F217 HydrophobicContact CG-CD2 4.5Å; E213-F217 HydrophobicContact CG-CE2 4.18Å; E213-F217 VanDerWaalsContact O-CB 3.26Å; E213-F217 WeakPolarHBondContact O-CB 3.01Å; E213-F217 WeakPolarHBondContact O-CD2 3.48Å; E213-F217 WeakPolarHBondContact O-CG 3.11Å; E213-F217 PolarHBondContact O-N 3.45Å; E213-R265 IonicContact OE2-CZ 2.69Å; E213-R265 IonicContact OE2-NE 3.88Å; E213-R265 PolarHBondContact OE2-NE 2.82Å; E213-R265 IonicContact OE2-NH2 3.87Å; E213-R268 VanDerWaalsContact CD-NH1 3.31Å; E213-R268 IonicContact OE1-CZ 2.81Å; E213-R268 IonicContact OE1-NH1 3.84Å; E213-R268 PolarHBondContact OE1-NH1 2.99Å; E213-V282 HydrophobicContact CG-CG1 4.04Å |
| 214 | E | 71.3 | Confident | 63.9 | Low | 11 Ų | 11 | 43 Ų | 43 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.5 | -46.2 | 177 | -72.5 | -72.1 | 166 | 0 | 0 | 110.4 | T210 V216 Q218 R265 K341 | T210-E214 WeakPolarHBondContact O-CB 3.3Å; T210-E214 VanDerWaalsContact O-CG 3.24Å; T210-E214 WeakPolarHBondContact O-CG 3.4Å; T210-E214 PolarHBondContact O-N 3.32Å; E214-V216 PolarHBondContact O-N 2.97Å; E214-Q218 WeakPolarHBondContact O-CA 3.47Å; E214-Q218 WeakPolarHBondContact O-CB 3.17Å; E214-Q218 PolarHBondContact O-N 3.29Å; E214-R265 IonicContact OE1-CZ 3.67Å; E214-R265 IonicContact OE1-NH1 2.76Å; E214-R265 IonicContact OE1-NH2 3.63Å; E214-R265 PolarHBondContact OE1-NH2 3.43Å; E214-K341 HydrophobicContact CB-CG 4.1Å; E214-K341 HydrophobicContact CG-CG 3.96Å; E214-K341 WeakPolarHBondContact OE2-CE 3.28Å; E214-K341 IonicContact OE2-NZ 3.61Å; E214-K341 PolarHBondContact OE2-NZ 3.43Å |
| 215 | A | 71.2 | Confident | 64.3 | Low | 12 Ų | 12 | 36.9 Ų | 36.9 | 10% | 0.099 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L211 C212 E213 S219 I380 | L211-A215 WeakPolarHBondContact O-CB 3.24Å; L211-A215 PolarHBondContact O-N 3.26Å; C212-A215 PolarHBondContact O-N 3.27Å; E213-A215 VanDerWaalsContact C-N 3.32Å; E213-A215 PolarHBondContact O-N 3.5Å; A215-S219 WeakPolarHBondContact O-CB 3.48Å; A215-S219 PolarHBondContact O-N 3.01Å; A215-S219 PolarHBondContact O-OG 2.79Å; A215-I380 HydrophobicContact CB-CG2 3.82Å |
| 216 | V | 72.1 | Confident | 64.4 | Low | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -79.8 | -47.4 | -174.8 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | C212 E213 E214 L220 I278 V282 T383 | C212-V216 WeakPolarHBondContact O-CB 3.02Å; C212-V216 VanDerWaalsContact O-CG2 3.31Å; C212-V216 WeakPolarHBondContact O-CG2 3.47Å; C212-V216 PolarHBondContact O-N 3.14Å; E213-V216 PolarHBondContact O-N 3.43Å; E214-V216 PolarHBondContact O-N 2.97Å; V216-L220 WeakPolarHBondContact O-CG 3.13Å; V216-L220 PolarHBondContact O-N 3.19Å; V216-I278 HydrophobicContact CG1-CG2 4.1Å; V216-V282 HydrophobicContact CB-CG2 3.83Å; V216-V282 HydrophobicContact CG1-CG2 3.8Å; V216-V282 HydrophobicContact CG2-CG2 3.91Å; V216-T383 HydrophobicContact CG2-CG2 3.81Å |
| 217 | F | 71.8 | Confident | 64.9 | Low | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -77.6 | -31.4 | -177.8 | -60.9 | -41 | 0 | 0 | 0 | 113.1 | E213 S219 L220 A221 L261 L264 R265 R268 I278 | E213-F217 HydrophobicContact CB-CD2 3.88Å; E213-F217 HydrophobicContact CB-CE2 4.06Å; E213-F217 HydrophobicContact CG-CD2 4.5Å; E213-F217 HydrophobicContact CG-CE2 4.18Å; E213-F217 VanDerWaalsContact O-CB 3.26Å; E213-F217 WeakPolarHBondContact O-CB 3.01Å; E213-F217 WeakPolarHBondContact O-CD2 3.48Å; E213-F217 WeakPolarHBondContact O-CG 3.11Å; E213-F217 PolarHBondContact O-N 3.45Å; F217-S219 VanDerWaalsContact C-N 3.33Å; F217-L220 HydrophobicContact CD1-CD1 4.35Å; F217-L220 PolarHBondContact O-N 2.97Å; F217-A221 WeakPolarHBondContact O-CB 3.43Å; F217-A221 PolarHBondContact O-N 2.82Å; F217-L261 HydrophobicContact CB-CD1 3.47Å; F217-L261 VanDerWaalsContact CB-CD1 3.47Å; F217-L264 HydrophobicContact CB-CD1 4.23Å; F217-L264 HydrophobicContact CD1-CB 3.9Å; F217-L264 HydrophobicContact CD1-CD1 3.94Å; F217-L264 HydrophobicContact CD1-CG 4.5Å; F217-L264 HydrophobicContact CD2-CB 4.48Å; F217-L264 HydrophobicContact CE1-CB 4.08Å; F217-L264 HydrophobicContact CG-CB 4.12Å; F217-L264 HydrophobicContact CG-CD1 4.33Å; F217-L264 HydrophobicContact CZ-CB 4.45Å; F217-R265 HydrophobicContact CD2-CG 4.21Å; F217-R265 HydrophobicContact CE2-CG 4.22Å; F217-R268 HydrophobicContact CZ-CB 4.27Å; F217-I278 HydrophobicContact CE1-CG2 3.83Å |
| 218 | Q | 66.4 | Low | 65.8 | Low | 25 Ų | 25 | 31.8 Ų | 31.8 | 12% | 0.117 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.2 | -38.7 | 172 | -170.8 | 71.3 | 21.3 | 0 | 0 | 111.3 | E214 L220 A221 S222 Y345 | E214-Q218 WeakPolarHBondContact O-CA 3.47Å; E214-Q218 WeakPolarHBondContact O-CB 3.17Å; E214-Q218 PolarHBondContact O-N 3.29Å; Q218-L220 VanDerWaalsContact C-N 3.26Å; Q218-L220 PolarHBondContact O-N 3.05Å; Q218-A221 PolarHBondContact O-N 2.76Å; Q218-S222 WeakPolarHBondContact O-CB 3.4Å; Q218-S222 PolarHBondContact O-N 2.93Å; Q218-Y345 PolarHBondContact NE2-O 2.79Å; Q218-Y345 PolarHBondContact OE1-O 3.48Å |
| 219 | S | 64.6 | Low | 67.2 | Low | 28 Ų | 28 | 30.5 Ų | 30.5 | 20% | 0.196 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.8 | -43.4 | 174.3 | -62.6 | 0 | 0 | 0 | 0 | 110.4 | A215 F217 S222 | A215-S219 WeakPolarHBondContact O-CB 3.48Å; A215-S219 PolarHBondContact O-N 3.01Å; A215-S219 PolarHBondContact O-OG 2.79Å; F217-S219 VanDerWaalsContact C-N 3.33Å; S219-S222 PolarHBondContact O-N 2.94Å; S219-S222 PolarHBondContact O-OG 2.74Å |
| 220 | L | 64.9 | Low | 68.4 | Low | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.2 | -44 | 174.9 | -64 | 174.2 | 0 | 0 | 0 | 112.3 | V216 F217 Q218 S222 L223 L225 L264 I278 H386 F393 | V216-L220 WeakPolarHBondContact O-CG 3.13Å; V216-L220 PolarHBondContact O-N 3.19Å; F217-L220 HydrophobicContact CD1-CD1 4.35Å; F217-L220 PolarHBondContact O-N 2.97Å; Q218-L220 VanDerWaalsContact C-N 3.26Å; Q218-L220 PolarHBondContact O-N 3.05Å; L220-S222 PolarHBondContact O-N 3.33Å; L220-L223 HydrophobicContact CD2-CD1 3.86Å; L220-L223 WeakPolarHBondContact O-CB 3.43Å; L220-L223 VanDerWaalsContact O-CG 3.28Å; L220-L223 WeakPolarHBondContact O-CG 3.27Å; L220-L223 PolarHBondContact O-N 2.87Å; L220-L223 VanDerWaalsContact O-N 3.07Å; L220-L225 HydrophobicContact CB-CD1 4.43Å; L220-L225 WeakPolarHBondContact O-CD1 3.32Å; L220-L264 HydrophobicContact CB-CD1 4.37Å; L220-L264 HydrophobicContact CD1-CD1 4.47Å; L220-I278 HydrophobicContact CD1-CD1 4.27Å; L220-H386 HydrophobicContact CD2-CB 4.42Å; L220-F393 HydrophobicContact CD1-CD2 4.49Å; L220-F393 HydrophobicContact CD1-CE2 4.02Å; L220-F393 HydrophobicContact CD2-CD2 3.89Å; L220-F393 HydrophobicContact CD2-CE2 4.24Å |
| 221 | A | 60.3 | Low | 69.3 | Low | 5 Ų | 5 | 32.9 Ų | 32.9 | 4% | 0.041 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.9 | -26.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F217 Q218 L223 V260 | F217-A221 WeakPolarHBondContact O-CB 3.43Å; F217-A221 PolarHBondContact O-N 2.82Å; Q218-A221 PolarHBondContact O-N 2.76Å; A221-L223 PolarHBondContact O-N 3.34Å; A221-V260 HydrophobicContact CB-CG1 4.26Å |
| 222 | S | 61.5 | Low | 69.8 | Low | 83 Ų | 83 | 37 Ų | 37 | 58% | 0.58 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -10.3 | 176.1 | 77.4 | 0 | 0 | 0 | 0 | 114.4 | Q218 S219 L220 R224 | Q218-S222 WeakPolarHBondContact O-CB 3.4Å; Q218-S222 PolarHBondContact O-N 2.93Å; S219-S222 PolarHBondContact O-N 2.94Å; S219-S222 PolarHBondContact O-OG 2.74Å; L220-S222 PolarHBondContact O-N 3.33Å; S222-R224 PolarHBondContact O-N 2.91Å |
| 223 | L | 62.2 | Low | 70.1 | Confident | 16 Ų | 16 | 37 Ų | 37 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | 24.5 | 178.6 | -63.5 | 178 | 0 | 0 | 0 | 114.3 | L220 A221 L225 E390 F393 M394 F397 | L220-L223 HydrophobicContact CD2-CD1 3.86Å; L220-L223 WeakPolarHBondContact O-CB 3.43Å; L220-L223 VanDerWaalsContact O-CG 3.28Å; L220-L223 WeakPolarHBondContact O-CG 3.27Å; L220-L223 PolarHBondContact O-N 2.87Å; L220-L223 VanDerWaalsContact O-N 3.07Å; A221-L223 PolarHBondContact O-N 3.34Å; L223-L225 HydrophobicContact CB-CG 4.33Å; L223-L225 PolarHBondContact O-N 3.03Å; L223-E390 HydrophobicContact CD1-CB 3.96Å; L223-E390 HydrophobicContact CD1-CG 3.81Å; L223-E390 HydrophobicContact CD2-CG 3.71Å; L223-E390 HydrophobicContact CG-CG 4.44Å; L223-F393 HydrophobicContact CD1-CB 4.21Å; L223-M394 HydrophobicContact CB-CE 3.47Å; L223-M394 VanDerWaalsContact CB-CE 3.47Å; L223-M394 HydrophobicContact CD1-CE 4.33Å; L223-M394 HydrophobicContact CD2-CE 3.4Å; L223-M394 HydrophobicContact CG-CE 3.86Å; L223-F397 WeakPolarHBondContact O-CE2 3.33Å; L223-F397 WeakPolarHBondContact O-CZ 2.97Å |
| 224 | R | 62.4 | Low | 70.6 | Confident | 192 Ų | 192 | 36.9 Ų | 36.9 | 73% | 0.725 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 16.8 | -167.8 | -56 | -168 | 176.7 | -173.3 | 0.1 | 114.8 | S222 S226 S227 F397 | S222-R224 PolarHBondContact O-N 2.91Å; R224-S226 PolarHBondContact O-N 3.31Å; R224-S226 VanDerWaalsContact O-N 3.09Å; R224-S227 PolarHBondContact O-N 3.17Å; R224-S227 PolarHBondContact O-OG 3.49Å; R224-F397 VanDerWaalsContact C-CZ 3.47Å; R224-F397 HydrophobicContact CB-CE1 4.12Å; R224-F397 HydrophobicContact CB-CZ 4.17Å |
| 225 | L | 63.8 | Low | 71.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -59.6 | -25.2 | 176.9 | -74.2 | 174.4 | 0 | 0 | 0 | 113 | L220 L223 S227 V228 I233 V260 F393 F397 | L220-L225 HydrophobicContact CB-CD1 4.43Å; L220-L225 WeakPolarHBondContact O-CD1 3.32Å; L223-L225 HydrophobicContact CB-CG 4.33Å; L223-L225 PolarHBondContact O-N 3.03Å; L225-S227 PolarHBondContact O-N 2.97Å; L225-V228 PolarHBondContact O-N 3.38Å; L225-I233 HydrophobicContact CB-CD1 4.28Å; L225-I233 HydrophobicContact CD2-CD1 4.46Å; L225-V260 HydrophobicContact CB-CG1 3.97Å; L225-V260 HydrophobicContact CB-CG2 4.35Å; L225-V260 HydrophobicContact CD1-CG1 4.25Å; L225-F393 HydrophobicContact CD1-CB 4.29Å; L225-F393 HydrophobicContact CD1-CD1 3.83Å; L225-F393 HydrophobicContact CD1-CD2 4.47Å; L225-F393 HydrophobicContact CD1-CE1 4.27Å; L225-F393 HydrophobicContact CD1-CG 3.95Å; L225-F393 HydrophobicContact CD2-CB 4.14Å; L225-F393 HydrophobicContact CD2-CD1 3.72Å; L225-F393 HydrophobicContact CD2-CG 4.22Å; L225-F393 HydrophobicContact CG-CD1 4.44Å; L225-F397 HydrophobicContact CD2-CE2 3.83Å; L225-F397 HydrophobicContact CD2-CZ 3.77Å; L225-F397 HydrophobicContact CG-CE2 4.33Å; L225-F397 HydrophobicContact CG-CZ 4.17Å |
| 226 | S | 62.9 | Low | 71.4 | Confident | 43 Ų | 43 | 44.9 Ų | 44.9 | 30% | 0.301 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -63.7 | -14 | 172.9 | 47.4 | 0 | 0 | 0 | 0 | 114.5 | R224 | R224-S226 PolarHBondContact O-N 3.31Å; R224-S226 VanDerWaalsContact O-N 3.09Å |
| 227 | S | 68.5 | Low | 71.7 | Confident | 82 Ų | 82 | 45.2 Ų | 45.2 | 57% | 0.573 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -92 | -3.7 | 171.6 | 70.6 | 0 | 0 | 0 | 0 | 113.6 | R224 L225 | R224-S227 PolarHBondContact O-N 3.17Å; R224-S227 PolarHBondContact O-OG 3.49Å; L225-S227 PolarHBondContact O-N 2.97Å |
| 228 | V | 72.6 | Confident | 71.8 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 6% | 0.055 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -99.7 | 134.6 | 178.4 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | L225 L230 R232 I233 F397 | L225-V228 PolarHBondContact O-N 3.38Å; V228-L230 PolarHBondContact O-N 3.05Å; V228-R232 HydrophobicContact CG1-CB 3.98Å; V228-R232 HydrophobicContact CG1-CG 4.12Å; V228-I233 HydrophobicContact CB-CD1 4.26Å; V228-I233 HydrophobicContact CB-CG1 4.13Å; V228-I233 HydrophobicContact CG1-CG1 3.94Å; V228-F397 HydrophobicContact CG2-CD1 4Å; V228-F397 HydrophobicContact CG2-CE1 3.23Å; V228-F397 HydrophobicContact CG2-CZ 3.64Å |
| 229 | P | 80.9 | Confident | 72.4 | Confident | 77 Ų | 77 | 48.2 Ų | 48.2 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | trans | -54.7 | 136.3 | 174.6 | -25.8 | 34.4 | 0 | 0 | 0 | 112 | E231 R232 I233 | P229-E231 WeakPolarHBondContact CB-OE2 3.22Å; P229-E231 PolarHBondContact O-N 2.02Å; P229-E231 VanDerWaalsContact O-N 3.17Å; P229-R232 WeakPolarHBondContact O-CB 3.46Å; P229-R232 PolarHBondContact O-N 3.42Å; P229-I233 PolarHBondContact O-N 3.4Å; P229-I233 VanDerWaalsContact O-N 3.16Å | ||
| 230 | L | 79.8 | Confident | 73.2 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.8 | -32 | -175.1 | -98.7 | 80.7 | 0 | 0 | 0 | 113.1 | V228 I233 L234 L247 Q259 L263 | V228-L230 PolarHBondContact O-N 3.05Å; L230-I233 WeakPolarHBondContact O-CB 3.35Å; L230-I233 PolarHBondContact O-N 2.94Å; L230-L234 WeakPolarHBondContact O-CB 3.36Å; L230-L234 PolarHBondContact O-N 3.43Å; L230-L247 HydrophobicContact CB-CD1 4.07Å; L230-L247 HydrophobicContact CD2-CD1 3.94Å; L230-Q259 HydrophobicContact CD1-CB 3.71Å; L230-Q259 HydrophobicContact CD1-CG 4.49Å; L230-Q259 HydrophobicContact CD2-CB 3.75Å; L230-Q259 HydrophobicContact CG-CB 4.27Å; L230-L263 HydrophobicContact CB-CD2 4.36Å; L230-L263 HydrophobicContact CD2-CB 4.34Å; L230-L263 HydrophobicContact CD2-CD2 4.15Å; L230-L263 HydrophobicContact CG-CD2 4.09Å |
| 231 | E | 82.7 | Confident | 74.1 | Confident | 80 Ų | 80 | 56.2 Ų | 56.2 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 175.9 | -58.6 | 85.2 | 165.7 | 0 | 0 | 110.4 | P229 I233 L234 E235 L247 K251 | P229-E231 WeakPolarHBondContact CB-OE2 3.22Å; P229-E231 PolarHBondContact O-N 2.02Å; P229-E231 VanDerWaalsContact O-N 3.17Å; E231-I233 VanDerWaalsContact C-N 3.27Å; E231-I233 PolarHBondContact O-N 3.16Å; E231-L234 WeakPolarHBondContact O-CB 3.45Å; E231-L234 PolarHBondContact O-N 2.75Å; E231-L234 VanDerWaalsContact O-N 3.14Å; E231-E235 WeakPolarHBondContact O-CG 3.32Å; E231-E235 PolarHBondContact O-N 3.5Å; E231-L247 HydrophobicContact CG-CD2 4.22Å; E231-K251 WeakPolarHBondContact OE1-CE 3.37Å; E231-K251 IonicContact OE1-NZ 3.53Å; E231-K251 PolarHBondContact OE1-NZ 3.09Å |
| 232 | R | 80.4 | Confident | 75.1 | Confident | 90 Ų | 90 | 56.2 Ų | 56.2 | 34% | 0.34 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.7 | -34.4 | 177.9 | -172.1 | 172.9 | -177.1 | -173.4 | -0 | 111 | V228 P229 N236 E400 | V228-R232 HydrophobicContact CG1-CB 3.98Å; V228-R232 HydrophobicContact CG1-CG 4.12Å; P229-R232 WeakPolarHBondContact O-CB 3.46Å; P229-R232 PolarHBondContact O-N 3.42Å; R232-N236 PolarHBondContact O-N 2.94Å; R232-N236 PolarHBondContact O-ND2 3.16Å; R232-E400 IonicContact NH1-OE1 2.54Å |
| 233 | I | 79.4 | Confident | 76.1 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.7 | -49.8 | 171.3 | -59.2 | 174.3 | 0 | 0 | 0 | 110 | L225 V228 P229 L230 E231 E235 N236 L237 V260 L263 F393 | L225-I233 HydrophobicContact CB-CD1 4.28Å; L225-I233 HydrophobicContact CD2-CD1 4.46Å; V228-I233 HydrophobicContact CB-CD1 4.26Å; V228-I233 HydrophobicContact CB-CG1 4.13Å; V228-I233 HydrophobicContact CG1-CG1 3.94Å; P229-I233 PolarHBondContact O-N 3.4Å; P229-I233 VanDerWaalsContact O-N 3.16Å; L230-I233 WeakPolarHBondContact O-CB 3.35Å; L230-I233 PolarHBondContact O-N 2.94Å; E231-I233 VanDerWaalsContact C-N 3.27Å; E231-I233 PolarHBondContact O-N 3.16Å; I233-E235 VanDerWaalsContact C-N 3.33Å; I233-E235 PolarHBondContact O-N 2.58Å; I233-N236 PolarHBondContact O-N 3.47Å; I233-L237 HydrophobicContact CG2-CD1 4.42Å; I233-L237 WeakPolarHBondContact O-CG 3.27Å; I233-L237 PolarHBondContact O-N 2.77Å; I233-V260 HydrophobicContact CD1-CG1 4.36Å; I233-V260 HydrophobicContact CD1-CG2 3.78Å; I233-L263 HydrophobicContact CB-CD2 4.12Å; I233-L263 HydrophobicContact CG2-CD2 3.93Å; I233-F393 HydrophobicContact CG2-CE1 4.3Å |
| 234 | L | 83.8 | Confident | 76.9 | Confident | 10 Ų | 10 | 61.2 Ų | 61.2 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.2 | -37.9 | -179.1 | -177.8 | 60.8 | 0 | 0 | 0 | 113.3 | L230 E231 N236 L237 K241 V242 L247 L263 | L230-L234 WeakPolarHBondContact O-CB 3.36Å; L230-L234 PolarHBondContact O-N 3.43Å; E231-L234 WeakPolarHBondContact O-CB 3.45Å; E231-L234 PolarHBondContact O-N 2.75Å; E231-L234 VanDerWaalsContact O-N 3.14Å; L234-N236 VanDerWaalsContact C-N 3.3Å; L234-N236 PolarHBondContact O-N 3.39Å; L234-L237 HydrophobicContact CD1-CD1 4.49Å; L234-L237 PolarHBondContact O-N 2.91Å; L234-K241 HydrophobicContact CD1-CB 4.01Å; L234-K241 HydrophobicContact CD1-CG 4.33Å; L234-K241 HydrophobicContact CG-CB 4.31Å; L234-K241 HydrophobicContact CG-CG 4.42Å; L234-V242 HydrophobicContact CD1-CB 4.01Å; L234-V242 HydrophobicContact CD1-CG2 4.17Å; L234-L247 HydrophobicContact CD2-CD1 4.42Å; L234-L247 HydrophobicContact CD2-CD2 3.95Å; L234-L263 HydrophobicContact CD1-CD1 4.34Å |
| 235 | E | 80.8 | Confident | 77.7 | Confident | 117 Ų | 117 | 58.6 Ų | 58.6 | 55% | 0.547 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.4 | -31.9 | 177.2 | -73.7 | -54.7 | 127.4 | 0 | 0 | 113.1 | E231 I233 K241 | E231-E235 WeakPolarHBondContact O-CG 3.32Å; E231-E235 PolarHBondContact O-N 3.5Å; I233-E235 VanDerWaalsContact C-N 3.33Å; I233-E235 PolarHBondContact O-N 2.58Å; E235-K241 IonicContact OE1-NZ 2.71Å; E235-K241 PolarHBondContact OE1-NZ 3.26Å; E235-K241 IonicContact OE2-NZ 2.63Å; E235-K241 PolarHBondContact OE2-NZ 3Å |
| 236 | N | 76.9 | Confident | 78.4 | Confident | 74 Ų | 74 | 59.7 Ų | 59.7 | 40% | 0.396 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -88.6 | -8.6 | 179.2 | -73.7 | -75.2 | 0 | 0 | 0 | 113 | R232 I233 L234 M392 M396 | R232-N236 PolarHBondContact O-N 2.94Å; R232-N236 PolarHBondContact O-ND2 3.16Å; I233-N236 PolarHBondContact O-N 3.47Å; L234-N236 VanDerWaalsContact C-N 3.3Å; L234-N236 PolarHBondContact O-N 3.39Å; N236-M392 WeakPolarHBondContact O-CE 3.34Å; N236-M396 HydrophobicContact CB-CE 3.77Å; N236-M396 HydrophobicContact CB-CG 4.44Å; N236-M396 HydrophobicContact CB-SD 3.65Å; N236-M396 WeakPolarHBondContact ND2-CE 3.24Å |
| 237 | L | 78.8 | Confident | 79.2 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -76.9 | 129.6 | 175.1 | -73.2 | 174.3 | 0 | 0 | 0 | 110.4 | I233 L234 L264 W267 F393 | I233-L237 HydrophobicContact CG2-CD1 4.42Å; I233-L237 WeakPolarHBondContact O-CG 3.27Å; I233-L237 PolarHBondContact O-N 2.77Å; L234-L237 HydrophobicContact CD1-CD1 4.49Å; L234-L237 PolarHBondContact O-N 2.91Å; L237-L264 HydrophobicContact CD1-CD2 4.12Å; L237-L264 HydrophobicContact CD2-CD2 3.9Å; L237-W267 HydrophobicContact CB-CG 4.42Å; L237-W267 HydrophobicContact CD1-CB 4.06Å; L237-W267 HydrophobicContact CD1-CD2 4.21Å; L237-W267 HydrophobicContact CD1-CG 3.79Å; L237-W267 HydrophobicContact CD2-CD2 4.2Å; L237-W267 HydrophobicContact CD2-CE3 4.44Å; L237-F393 HydrophobicContact CD2-CE1 4.23Å; L237-F393 HydrophobicContact CD2-CZ 3.79Å |
| 238 | P | 74.9 | Confident | 79.8 | Confident | 47 Ų | 47 | 57.9 Ų | 57.9 | 31% | 0.305 | 30% | 0.297 | S | S | . | . | trans | -76.6 | 156 | -179.7 | 31.8 | -33.7 | 0 | 0 | 0 | 111.2 | W267 Y276 | P238-W267 HydrophobicContact CG-CZ2 3.97Å; P238-W267 WeakPolarHBondContact O-CZ2 3.44Å; P238-W267 PolarHBondContact O-NE1 2.88Å; P238-Y276 HydrophobicContact CB-CD1 4.38Å; P238-Y276 HydrophobicContact CB-CE1 3.74Å; P238-Y276 HydrophobicContact CG-CD1 3.91Å; P238-Y276 HydrophobicContact CG-CE1 3.77Å | ||
| 239 | G | 78.1 | Confident | 79.8 | Confident | 41 Ų | 41 | 63.2 Ų | 63.2 | 42% | 0.423 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 90 | -151.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y276 | G239-Y276 WeakPolarHBondContact CA-OH 2.94Å; G239-Y276 PolarHBondContact N-OH 3.37Å |
| 240 | Q | 81.4 | Confident | 79.6 | Confident | 103 Ų | 103 | 60.2 Ų | 60.2 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -75.7 | 127.4 | -179.8 | -169.8 | 169.8 | -0.3 | 0 | 0 | 110 | Q270 N271 | Q240-Q270 HydrophobicContact CB-CG 4.17Å; Q240-Q270 HydrophobicContact CG-CG 3.83Å; Q240-N271 PolarHBondContact N-OD1 3.34Å; Q240-N271 PolarHBondContact O-ND2 3.06Å |
| 241 | K | 83.1 | Confident | 79.6 | Confident | 92 Ų | 92 | 62.8 Ų | 62.8 | 40% | 0.4 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 144.4 | 178.2 | -65 | 179.9 | 179 | -179.3 | 0 | 110.7 | L234 E235 Q270 | L234-K241 HydrophobicContact CD1-CB 4.01Å; L234-K241 HydrophobicContact CD1-CG 4.33Å; L234-K241 HydrophobicContact CG-CB 4.31Å; L234-K241 HydrophobicContact CG-CG 4.42Å; E235-K241 IonicContact OE1-NZ 2.71Å; E235-K241 PolarHBondContact OE1-NZ 3.26Å; E235-K241 IonicContact OE2-NZ 2.63Å; E235-K241 PolarHBondContact OE2-NZ 3Å; K241-Q270 PolarHBondContact O-NE2 3.27Å; K241-Q270 PolarHBondContact O-OE1 3.35Å; K241-Q270 VanDerWaalsContact O-OE1 3.05Å |
| 242 | V | 83 | Confident | 79.4 | Confident | 6 Ų | 6 | 67.3 Ų | 67.3 | 4% | 0.036 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 139 | 167.1 | -178 | 0 | 0 | 0 | 0 | 109.6 | L234 L263 L266 W267 Q270 | L234-V242 HydrophobicContact CD1-CB 4.01Å; L234-V242 HydrophobicContact CD1-CG2 4.17Å; V242-L263 HydrophobicContact CB-CD1 4.16Å; V242-L263 HydrophobicContact CG1-CD1 4.42Å; V242-L263 HydrophobicContact CG2-CD1 4.03Å; V242-L266 HydrophobicContact CB-CB 4.5Å; V242-L266 HydrophobicContact CG1-CB 3.83Å; V242-L266 HydrophobicContact CG1-CD1 3.83Å; V242-L266 HydrophobicContact CG1-CG 4.49Å; V242-L266 HydrophobicContact CG2-CB 3.78Å; V242-W267 HydrophobicContact CG2-CB 3.84Å; V242-Q270 VanDerWaalsContact CA-OE1 3.28Å |
| 243 | D | 81.8 | Confident | 78.8 | Confident | 69 Ų | 69 | 65.6 Ų | 65.6 | 37% | 0.369 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 146.2 | -178.9 | 73.4 | -86.5 | 0 | 0 | 0 | 112.2 | K245 S246 L247 | D243-K245 PolarHBondContact O-N 2.91Å; D243-K245 WeakPolarHBondContact OD2-CA 3.32Å; D243-K245 VanDerWaalsContact OD2-CB 3.24Å; D243-K245 WeakPolarHBondContact OD2-CB 3.49Å; D243-K245 PolarHBondContact OD2-N 3.2Å; D243-K245 VanDerWaalsContact OD2-N 3.12Å; D243-S246 PolarHBondContact O-N 3.45Å; D243-S246 VanDerWaalsContact O-N 3.17Å; D243-S246 VanDerWaalsContact OD1-CB 3.26Å; D243-S246 WeakPolarHBondContact OD1-CB 3.47Å; D243-S246 PolarHBondContact OD1-OG 2.97Å; D243-S246 PolarHBondContact OD2-N 2.79Å; D243-S246 PolarHBondContact OD2-OG 2.86Å; D243-S246 VanDerWaalsContact OD2-OG 3.11Å; D243-L247 PolarHBondContact O-N 3.39Å |
| 244 | L | 79.1 | Confident | 78.3 | Confident | 134 Ų | 134 | 66.2 Ų | 66.2 | 70% | 0.702 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -58.4 | -31.9 | -178.2 | -80.6 | 148.9 | 0 | 0 | 0 | 112.9 | L247 E248 | L244-L247 PolarHBondContact O-N 3.49Å; L244-E248 WeakPolarHBondContact O-CG 3.48Å; L244-E248 PolarHBondContact O-N 3.19Å |
| 245 | K | 80.2 | Confident | 77.8 | Confident | 138 Ų | 138 | 67.5 Ų | 67.5 | 60% | 0.6 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -69 | -40 | -179.4 | -166.4 | -174.4 | -167.7 | -179.7 | 0 | 110.8 | D243 R249 | D243-K245 PolarHBondContact O-N 2.91Å; D243-K245 WeakPolarHBondContact OD2-CA 3.32Å; D243-K245 VanDerWaalsContact OD2-CB 3.24Å; D243-K245 WeakPolarHBondContact OD2-CB 3.49Å; D243-K245 PolarHBondContact OD2-N 3.2Å; D243-K245 VanDerWaalsContact OD2-N 3.12Å; K245-R249 VanDerWaalsContact O-CD 3.3Å; K245-R249 WeakPolarHBondContact O-CD 3.41Å; K245-R249 WeakPolarHBondContact O-CG 3.38Å; K245-R249 PolarHBondContact O-N 3.13Å |
| 246 | S | 77.9 | Confident | 77.5 | Confident | 23 Ų | 23 | 65.5 Ų | 65.5 | 16% | 0.161 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.7 | -40 | 173.9 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | D243 R249 L250 | D243-S246 PolarHBondContact O-N 3.45Å; D243-S246 VanDerWaalsContact O-N 3.17Å; D243-S246 VanDerWaalsContact OD1-CB 3.26Å; D243-S246 WeakPolarHBondContact OD1-CB 3.47Å; D243-S246 PolarHBondContact OD1-OG 2.97Å; D243-S246 PolarHBondContact OD2-N 2.79Å; D243-S246 PolarHBondContact OD2-OG 2.86Å; D243-S246 VanDerWaalsContact OD2-OG 3.11Å; S246-R249 PolarHBondContact O-N 3.34Å; S246-L250 WeakPolarHBondContact O-CG 3.38Å; S246-L250 PolarHBondContact O-N 3Å |
| 247 | L | 80.1 | Confident | 77 | Confident | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 176.9 | -168.5 | 68.1 | 0 | 0 | 0 | 112.6 | L230 E231 L234 D243 L244 R249 L250 K251 L263 | L230-L247 HydrophobicContact CB-CD1 4.07Å; L230-L247 HydrophobicContact CD2-CD1 3.94Å; E231-L247 HydrophobicContact CG-CD2 4.22Å; L234-L247 HydrophobicContact CD2-CD1 4.42Å; L234-L247 HydrophobicContact CD2-CD2 3.95Å; D243-L247 PolarHBondContact O-N 3.39Å; L244-L247 PolarHBondContact O-N 3.49Å; L247-R249 VanDerWaalsContact C-N 3.28Å; L247-R249 PolarHBondContact O-N 3.1Å; L247-L250 PolarHBondContact O-N 3.01Å; L247-K251 PolarHBondContact O-N 2.96Å; L247-L263 HydrophobicContact CD1-CD1 3.66Å |
| 248 | E | 80.5 | Confident | 76.7 | Confident | 82 Ų | 82 | 67.3 Ų | 67.3 | 38% | 0.383 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.4 | -31.4 | 178.4 | -74.4 | -54.7 | 135.9 | 0 | 0 | 113 | L244 K251 K252 | L244-E248 WeakPolarHBondContact O-CG 3.48Å; L244-E248 PolarHBondContact O-N 3.19Å; E248-K251 IonicContact OE1-NZ 2.65Å; E248-K251 PolarHBondContact OE1-NZ 3.13Å; E248-K251 IonicContact OE2-NZ 3.5Å; E248-K252 WeakPolarHBondContact O-CG 3.45Å; E248-K252 PolarHBondContact O-N 3.19Å |
| 249 | R | 72.6 | Confident | 76.9 | Confident | 121 Ų | 121 | 66.4 Ų | 66.4 | 46% | 0.457 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.6 | -39.5 | 174.3 | -73.5 | 166.4 | 179.5 | 172.6 | -13.8 | 112.1 | K245 S246 L247 K251 K252 A253 | K245-R249 VanDerWaalsContact O-CD 3.3Å; K245-R249 WeakPolarHBondContact O-CD 3.41Å; K245-R249 WeakPolarHBondContact O-CG 3.38Å; K245-R249 PolarHBondContact O-N 3.13Å; S246-R249 PolarHBondContact O-N 3.34Å; L247-R249 VanDerWaalsContact C-N 3.28Å; L247-R249 PolarHBondContact O-N 3.1Å; R249-K251 VanDerWaalsContact C-N 3.34Å; R249-K251 PolarHBondContact O-N 2.69Å; R249-K252 PolarHBondContact O-N 3.45Å; R249-A253 WeakPolarHBondContact O-CB 3.41Å; R249-A253 PolarHBondContact O-N 3.26Å |
| 250 | L | 76.8 | Confident | 76.9 | Confident | 14 Ų | 14 | 64.5 Ų | 64.5 | 7% | 0.073 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 176.4 | -70.9 | -179.5 | 0 | 0 | 0 | 111.9 | S246 L247 K252 A253 C254 Q259 H262 L263 L266 | S246-L250 WeakPolarHBondContact O-CG 3.38Å; S246-L250 PolarHBondContact O-N 3Å; L247-L250 PolarHBondContact O-N 3.01Å; L250-K252 PolarHBondContact O-N 2.99Å; L250-A253 PolarHBondContact O-N 3.36Å; L250-C254 VanDerWaalsContact O-CB 3.28Å; L250-C254 WeakPolarHBondContact O-CB 3.4Å; L250-C254 PolarHBondContact O-N 3.12Å; L250-C254 VanDerWaalsContact O-N 3.08Å; L250-Q259 WeakPolarHBondContact O-CG 3.43Å; L250-H262 HydrophobicContact CD1-CB 4.22Å; L250-H262 HydrophobicContact CD2-CB 3.53Å; L250-L263 HydrophobicContact CD1-CB 4.13Å; L250-L266 HydrophobicContact CD1-CD1 3.93Å; L250-L266 HydrophobicContact CG-CD1 4.4Å |
| 251 | K | 79.9 | Confident | 76.5 | Confident | 64 Ų | 64 | 59.9 Ų | 59.9 | 28% | 0.278 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.9 | -33.9 | 177.5 | -67.4 | 176.1 | -174.6 | 169.8 | 0 | 113.1 | E231 L247 E248 R249 Q259 | E231-K251 WeakPolarHBondContact OE1-CE 3.37Å; E231-K251 IonicContact OE1-NZ 3.53Å; E231-K251 PolarHBondContact OE1-NZ 3.09Å; L247-K251 PolarHBondContact O-N 2.96Å; E248-K251 IonicContact OE1-NZ 2.65Å; E248-K251 PolarHBondContact OE1-NZ 3.13Å; E248-K251 IonicContact OE2-NZ 3.5Å; R249-K251 VanDerWaalsContact C-N 3.34Å; R249-K251 PolarHBondContact O-N 2.69Å; K251-Q259 PolarHBondContact O-NE2 3.33Å |
| 252 | K | 77.6 | Confident | 76.2 | Confident | 176 Ų | 176 | 56.4 Ų | 56.4 | 77% | 0.765 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -80.9 | -33.6 | -179 | -69.8 | 178.4 | -177 | -174.7 | 0 | 113.4 | E248 R249 L250 | E248-K252 WeakPolarHBondContact O-CG 3.45Å; E248-K252 PolarHBondContact O-N 3.19Å; R249-K252 PolarHBondContact O-N 3.45Å; L250-K252 PolarHBondContact O-N 2.99Å |
| 253 | A | 67.3 | Low | 76.1 | Confident | 54 Ų | 54 | 56.1 Ų | 56.1 | 45% | 0.446 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -103.4 | -16.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R249 L250 | R249-A253 WeakPolarHBondContact O-CB 3.41Å; R249-A253 PolarHBondContact O-N 3.26Å; L250-A253 PolarHBondContact O-N 3.36Å |
| 254 | C | 70.8 | Confident | 75.9 | Confident | 13 Ų | 13 | 52.8 Ų | 52.8 | 9% | 0.088 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -124.7 | 149.1 | -165.6 | -53.2 | 0 | 0 | 0 | 0 | 112.4 | C198 L250 Q258 Q259 | C198-C254 HydrophobicContact CB-CB 3.72Å; C198-C254 WeakPolarHBondContact CB-SG 3.36Å; C198-C254 WeakPolarHBondContact SG-CB 3.23Å; C198-C254 CovalentContact SG-SG 2.01Å; C198-C254 PolarHBondContact SG-SG 3.26Å; L250-C254 VanDerWaalsContact O-CB 3.28Å; L250-C254 WeakPolarHBondContact O-CB 3.4Å; L250-C254 PolarHBondContact O-N 3.12Å; L250-C254 VanDerWaalsContact O-N 3.08Å; C254-Q258 HydrophobicContact CB-CB 3.88Å; C254-Q259 HydrophobicContact CB-CG 3.68Å; C254-Q259 WeakPolarHBondContact O-CG 3.47Å; C254-Q259 PolarHBondContact O-NE2 3.07Å |
| 255 | S | 72.9 | Confident | 75.9 | Confident | 37 Ų | 37 | 47.4 Ų | 47.4 | 26% | 0.259 | 23% | 0.234 | S | C | . | . | trans | -66 | 157.1 | 167.4 | 66.8 | 0 | 0 | 0 | 0 | 111.5 | Q257 Q258 Q259 | S255-Q257 PolarHBondContact O-N 2.89Å; S255-Q258 CarbonylContact O-C 3.18Å; S255-Q258 WeakPolarHBondContact O-CA 3.49Å; S255-Q258 WeakPolarHBondContact O-CB 3.06Å; S255-Q258 PolarHBondContact O-N 3.15Å; S255-Q258 VanDerWaalsContact OG-CD 3.29Å; S255-Q258 VanDerWaalsContact OG-CG 3.31Å; S255-Q258 WeakPolarHBondContact OG-CG 3.48Å; S255-Q258 PolarHBondContact OG-OE1 3.42Å; S255-Q259 VanDerWaalsContact O-CG 3.31Å; S255-Q259 WeakPolarHBondContact O-CG 3.04Å; S255-Q259 PolarHBondContact O-N 3.43Å | ||
| 256 | P | 73.3 | Confident | 75.8 | Confident | 74 Ų | 74 | 43 Ų | 43 | 48% | 0.481 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -52.8 | -34 | -177.7 | -29.5 | 35.9 | 0 | 0 | 0 | 114.8 | V260 | P256-V260 PolarHBondContact O-N 3.4Å |
| 257 | Q | 67.1 | Low | 75.9 | Confident | 84 Ų | 84 | 42 Ų | 42 | 39% | 0.393 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -71.7 | -40.7 | 175.8 | -69.6 | 172.1 | -6.5 | 0 | 0 | 112.2 | S255 L261 | S255-Q257 PolarHBondContact O-N 2.89Å; Q257-L261 PolarHBondContact O-N 3.07Å |
| 258 | Q | 73.3 | Confident | 75.7 | Confident | 37 Ų | 37 | 42.5 Ų | 42.5 | 17% | 0.173 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.8 | -35.2 | 175.9 | -69.4 | 168.8 | -48.4 | 0 | 0 | 111.7 | C198 C254 S255 V260 L261 H262 | C198-Q258 PolarHBondContact O-NE2 3.03Å; C254-Q258 HydrophobicContact CB-CB 3.88Å; S255-Q258 CarbonylContact O-C 3.18Å; S255-Q258 WeakPolarHBondContact O-CA 3.49Å; S255-Q258 WeakPolarHBondContact O-CB 3.06Å; S255-Q258 PolarHBondContact O-N 3.15Å; S255-Q258 VanDerWaalsContact OG-CD 3.29Å; S255-Q258 VanDerWaalsContact OG-CG 3.31Å; S255-Q258 WeakPolarHBondContact OG-CG 3.48Å; S255-Q258 PolarHBondContact OG-OE1 3.42Å; Q258-V260 PolarHBondContact O-N 3.24Å; Q258-L261 PolarHBondContact O-N 3.06Å; Q258-H262 WeakPolarHBondContact O-CB 3.27Å; Q258-H262 PolarHBondContact O-CD2 2.83Å; Q258-H262 PolarHBondContact O-N 3.19Å |
| 259 | Q | 78.8 | Confident | 75.5 | Confident | 28 Ų | 28 | 42.3 Ų | 42.3 | 13% | 0.131 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.9 | -48.6 | 177 | -73 | 176.4 | 20.2 | 0 | 0 | 111.4 | L230 L250 K251 C254 S255 L263 | L230-Q259 HydrophobicContact CD1-CB 3.71Å; L230-Q259 HydrophobicContact CD1-CG 4.49Å; L230-Q259 HydrophobicContact CD2-CB 3.75Å; L230-Q259 HydrophobicContact CG-CB 4.27Å; L250-Q259 WeakPolarHBondContact O-CG 3.43Å; K251-Q259 PolarHBondContact O-NE2 3.33Å; C254-Q259 HydrophobicContact CB-CG 3.68Å; C254-Q259 WeakPolarHBondContact O-CG 3.47Å; C254-Q259 PolarHBondContact O-NE2 3.07Å; S255-Q259 VanDerWaalsContact O-CG 3.31Å; S255-Q259 WeakPolarHBondContact O-CG 3.04Å; S255-Q259 PolarHBondContact O-N 3.43Å; Q259-L263 WeakPolarHBondContact O-CB 3.37Å; Q259-L263 PolarHBondContact O-N 3.06Å |
| 260 | V | 77 | Confident | 75.6 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.5 | -44.9 | 177.6 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | A221 L225 I233 P256 Q258 H262 L263 L264 | A221-V260 HydrophobicContact CB-CG1 4.26Å; L225-V260 HydrophobicContact CB-CG1 3.97Å; L225-V260 HydrophobicContact CB-CG2 4.35Å; L225-V260 HydrophobicContact CD1-CG1 4.25Å; I233-V260 HydrophobicContact CD1-CG1 4.36Å; I233-V260 HydrophobicContact CD1-CG2 3.78Å; P256-V260 PolarHBondContact O-N 3.4Å; Q258-V260 PolarHBondContact O-N 3.24Å; V260-H262 PolarHBondContact O-N 3.46Å; V260-L263 PolarHBondContact O-N 2.94Å; V260-L264 HydrophobicContact CG1-CD1 4.27Å; V260-L264 WeakPolarHBondContact O-CG 3.4Å; V260-L264 PolarHBondContact O-N 2.98Å |
| 261 | L | 74.2 | Confident | 75.5 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.7 | -47.7 | 179.2 | 179.4 | 66.3 | 0 | 0 | 0 | 111.8 | F217 Q257 Q258 L264 R265 | F217-L261 HydrophobicContact CB-CD1 3.47Å; F217-L261 VanDerWaalsContact CB-CD1 3.47Å; Q257-L261 PolarHBondContact O-N 3.07Å; Q258-L261 PolarHBondContact O-N 3.06Å; L261-L264 PolarHBondContact O-N 2.89Å; L261-R265 WeakPolarHBondContact O-CG 3.36Å; L261-R265 PolarHBondContact O-N 3.45Å |
| 262 | H | 76.1 | Confident | 74.9 | Confident | 18 Ų | 18 | 41.4 Ų | 41.4 | 8% | 0.083 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.2 | -32.7 | -178.6 | -76.5 | -109.8 | 0 | 0 | 0 | 112.2 | L250 Q258 V260 R265 L266 | L250-H262 HydrophobicContact CD1-CB 4.22Å; L250-H262 HydrophobicContact CD2-CB 3.53Å; Q258-H262 WeakPolarHBondContact O-CB 3.27Å; Q258-H262 PolarHBondContact O-CD2 2.83Å; Q258-H262 PolarHBondContact O-N 3.19Å; V260-H262 PolarHBondContact O-N 3.46Å; H262-R265 WeakPolarHBondContact O-CB 3.11Å; H262-R265 PolarHBondContact O-N 2.86Å; H262-L266 WeakPolarHBondContact O-CG 3.33Å; H262-L266 PolarHBondContact O-N 3.49Å |
| 263 | L | 81.1 | Confident | 74.2 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.1 | -48 | 171.4 | 179.8 | 65.3 | 0 | 0 | 0 | 111.2 | L230 I233 L234 V242 L247 L250 Q259 V260 R265 L266 W267 | L230-L263 HydrophobicContact CB-CD2 4.36Å; L230-L263 HydrophobicContact CD2-CB 4.34Å; L230-L263 HydrophobicContact CD2-CD2 4.15Å; L230-L263 HydrophobicContact CG-CD2 4.09Å; I233-L263 HydrophobicContact CB-CD2 4.12Å; I233-L263 HydrophobicContact CG2-CD2 3.93Å; L234-L263 HydrophobicContact CD1-CD1 4.34Å; V242-L263 HydrophobicContact CB-CD1 4.16Å; V242-L263 HydrophobicContact CG1-CD1 4.42Å; V242-L263 HydrophobicContact CG2-CD1 4.03Å; L247-L263 HydrophobicContact CD1-CD1 3.66Å; L250-L263 HydrophobicContact CD1-CB 4.13Å; Q259-L263 WeakPolarHBondContact O-CB 3.37Å; Q259-L263 PolarHBondContact O-N 3.06Å; V260-L263 PolarHBondContact O-N 2.94Å; L263-R265 VanDerWaalsContact C-N 3.28Å; L263-R265 PolarHBondContact O-N 2.92Å; L263-L266 PolarHBondContact O-N 3.3Å; L263-W267 WeakPolarHBondContact O-CB 3.39Å; L263-W267 PolarHBondContact O-N 2.88Å |
| 264 | L | 78.6 | Confident | 74 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.9 | -33.1 | 178.3 | -68.3 | 174.9 | 0 | 0 | 0 | 112.5 | F217 L220 L237 V260 L261 R268 F393 | F217-L264 HydrophobicContact CB-CD1 4.23Å; F217-L264 HydrophobicContact CD1-CB 3.9Å; F217-L264 HydrophobicContact CD1-CD1 3.94Å; F217-L264 HydrophobicContact CD1-CG 4.5Å; F217-L264 HydrophobicContact CD2-CB 4.48Å; F217-L264 HydrophobicContact CE1-CB 4.08Å; F217-L264 HydrophobicContact CG-CB 4.12Å; F217-L264 HydrophobicContact CG-CD1 4.33Å; F217-L264 HydrophobicContact CZ-CB 4.45Å; L220-L264 HydrophobicContact CB-CD1 4.37Å; L220-L264 HydrophobicContact CD1-CD1 4.47Å; L237-L264 HydrophobicContact CD1-CD2 4.12Å; L237-L264 HydrophobicContact CD2-CD2 3.9Å; V260-L264 HydrophobicContact CG1-CD1 4.27Å; V260-L264 WeakPolarHBondContact O-CG 3.4Å; V260-L264 PolarHBondContact O-N 2.98Å; L261-L264 PolarHBondContact O-N 2.89Å; L264-R268 WeakPolarHBondContact O-CB 3.13Å; L264-R268 PolarHBondContact O-N 3.18Å; L264-F393 HydrophobicContact CD2-CZ 4.22Å |
| 265 | R | 77.9 | Confident | 73.1 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 8% | 0.079 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.5 | -50.4 | 172.9 | -76.1 | 173 | 159.1 | 149.2 | 6.4 | 112.2 | E213 E214 F217 L261 H262 L263 W267 R268 E269 | E213-R265 IonicContact OE2-CZ 2.69Å; E213-R265 IonicContact OE2-NE 3.88Å; E213-R265 PolarHBondContact OE2-NE 2.82Å; E213-R265 IonicContact OE2-NH2 3.87Å; E214-R265 IonicContact OE1-CZ 3.67Å; E214-R265 IonicContact OE1-NH1 2.76Å; E214-R265 IonicContact OE1-NH2 3.63Å; E214-R265 PolarHBondContact OE1-NH2 3.43Å; F217-R265 HydrophobicContact CD2-CG 4.21Å; F217-R265 HydrophobicContact CE2-CG 4.22Å; L261-R265 WeakPolarHBondContact O-CG 3.36Å; L261-R265 PolarHBondContact O-N 3.45Å; H262-R265 WeakPolarHBondContact O-CB 3.11Å; H262-R265 PolarHBondContact O-N 2.86Å; L263-R265 VanDerWaalsContact C-N 3.28Å; L263-R265 PolarHBondContact O-N 2.92Å; R265-W267 VanDerWaalsContact C-N 3.27Å; R265-W267 PolarHBondContact O-N 3.33Å; R265-R268 PolarHBondContact O-N 3.03Å; R265-E269 WeakPolarHBondContact O-CG 3.43Å; R265-E269 PolarHBondContact O-N 3.27Å |
| 266 | L | 77.9 | Confident | 72.7 | Confident | 45 Ų | 45 | 50.2 Ų | 50.2 | 24% | 0.236 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.2 | -40.6 | 177.6 | -70 | 175.8 | 0 | 0 | 0 | 111.2 | V242 L250 H262 L263 R268 E269 Q270 | V242-L266 HydrophobicContact CB-CB 4.5Å; V242-L266 HydrophobicContact CG1-CB 3.83Å; V242-L266 HydrophobicContact CG1-CD1 3.83Å; V242-L266 HydrophobicContact CG1-CG 4.49Å; V242-L266 HydrophobicContact CG2-CB 3.78Å; L250-L266 HydrophobicContact CD1-CD1 3.93Å; L250-L266 HydrophobicContact CG-CD1 4.4Å; H262-L266 WeakPolarHBondContact O-CG 3.33Å; H262-L266 PolarHBondContact O-N 3.49Å; L263-L266 PolarHBondContact O-N 3.3Å; L266-R268 PolarHBondContact O-N 3.3Å; L266-E269 PolarHBondContact O-N 3.1Å; L266-Q270 PolarHBondContact O-N 2.95Å; L266-Q270 VanDerWaalsContact O-N 3.09Å |
| 267 | W | 80.9 | Confident | 72.2 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61 | -44 | 175.5 | 172.6 | 74 | 0 | 0 | 0 | 112.1 | L237 P238 V242 L263 R265 E269 Q270 N271 Y276 I278 I279 | L237-W267 HydrophobicContact CB-CG 4.42Å; L237-W267 HydrophobicContact CD1-CB 4.06Å; L237-W267 HydrophobicContact CD1-CD2 4.21Å; L237-W267 HydrophobicContact CD1-CG 3.79Å; L237-W267 HydrophobicContact CD2-CD2 4.2Å; L237-W267 HydrophobicContact CD2-CE3 4.44Å; P238-W267 HydrophobicContact CG-CZ2 3.97Å; P238-W267 WeakPolarHBondContact O-CZ2 3.44Å; P238-W267 PolarHBondContact O-NE1 2.88Å; V242-W267 HydrophobicContact CG2-CB 3.84Å; L263-W267 WeakPolarHBondContact O-CB 3.39Å; L263-W267 PolarHBondContact O-N 2.88Å; R265-W267 VanDerWaalsContact C-N 3.27Å; R265-W267 PolarHBondContact O-N 3.33Å; W267-E269 PolarHBondContact O-N 2.04Å; W267-Q270 PolarHBondContact O-N 2.78Å; W267-N271 PolarHBondContact NE1-ND2 3.4Å; W267-N271 WeakPolarHBondContact O-CB 3.4Å; W267-N271 PolarHBondContact O-N 2.89Å; W267-N271 PolarHBondContact O-ND2 2.67Å; W267-Y276 HydrophobicContact CH2-CG 4.38Å; W267-Y276 HydrophobicContact CZ2-CD2 4.26Å; W267-Y276 HydrophobicContact CZ2-CG 4.33Å; W267-I278 HydrophobicContact CZ3-CD1 4.46Å; W267-I279 HydrophobicContact CZ3-CG1 4.46Å |
| 268 | R | 75.9 | Confident | 72.1 | Confident | 15 Ų | 15 | 44.2 Ų | 44.2 | 6% | 0.057 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.1 | -46.7 | 173.9 | 176.7 | -174 | 177.6 | -166.8 | 2.4 | 111.2 | E213 F217 L264 R265 L266 Q270 N271 K272 I279 V282 N283 E286 | E213-R268 VanDerWaalsContact CD-NH1 3.31Å; E213-R268 IonicContact OE1-CZ 2.81Å; E213-R268 IonicContact OE1-NH1 3.84Å; E213-R268 PolarHBondContact OE1-NH1 2.99Å; F217-R268 HydrophobicContact CZ-CB 4.27Å; L264-R268 WeakPolarHBondContact O-CB 3.13Å; L264-R268 PolarHBondContact O-N 3.18Å; R265-R268 PolarHBondContact O-N 3.03Å; L266-R268 PolarHBondContact O-N 3.3Å; R268-Q270 VanDerWaalsContact C-N 3.29Å; R268-Q270 PolarHBondContact O-N 2.87Å; R268-N271 CarbonylContact O-C 3.44Å; R268-N271 PolarHBondContact O-N 3.3Å; R268-N271 VanDerWaalsContact O-N 3.1Å; R268-K272 PolarHBondContact O-N 2.87Å; R268-K272 VanDerWaalsContact O-N 3.13Å; R268-I279 HydrophobicContact CG-CD1 4.27Å; R268-I279 HydrophobicContact CG-CG1 4.17Å; R268-I279 HydrophobicContact CG-CG2 4.41Å; R268-V282 VanDerWaalsContact NH1-CG1 3.3Å; R268-N283 PolarHBondContact NH2-OD1 3.16Å; R268-E286 IonicContact CZ-OE1 2.62Å; R268-E286 IonicContact CZ-OE2 3.32Å; R268-E286 IonicContact NH1-OE1 3.2Å; R268-E286 PolarHBondContact NH1-OE1 3.02Å; R268-E286 IonicContact NH1-OE2 3.56Å; R268-E286 VanDerWaalsContact NH2-CD 3.3Å; R268-E286 IonicContact NH2-OE1 3.85Å; R268-E286 PolarHBondContact NH2-OE1 3.33Å; R268-E286 VanDerWaalsContact NH2-OE1 3.13Å; R268-E286 IonicContact NH2-OE2 2.74Å; R268-E286 PolarHBondContact NH2-OE2 3.37Å |
| 269 | E | 74.9 | Confident | 71.8 | Confident | 77 Ų | 77 | 42.7 Ų | 42.7 | 36% | 0.36 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.4 | -41.1 | -177.3 | -72.6 | -66.8 | 112 | 0 | 0 | 112.3 | R265 L266 W267 N271 K272 | R265-E269 WeakPolarHBondContact O-CG 3.43Å; R265-E269 PolarHBondContact O-N 3.27Å; L266-E269 PolarHBondContact O-N 3.1Å; W267-E269 PolarHBondContact O-N 2.04Å; E269-N271 PolarHBondContact O-N 3.19Å; E269-K272 WeakPolarHBondContact O-CG 3.09Å; E269-K272 WeakPolarHBondContact OE1-CE 3.16Å; E269-K272 IonicContact OE1-NZ 3.91Å; E269-K272 PolarHBondContact OE1-NZ 3.34Å; E269-K272 WeakPolarHBondContact OE2-CE 3.38Å; E269-K272 IonicContact OE2-NZ 2.72Å; E269-K272 PolarHBondContact OE2-NZ 3.07Å |
| 270 | Q | 75.8 | Confident | 71.3 | Confident | 65 Ų | 65 | 45.7 Ų | 45.7 | 30% | 0.304 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -77.1 | -11.2 | -179.6 | -158.2 | 159.5 | 10.8 | 0 | 0 | 113.5 | Q240 K241 V242 L266 W267 R268 | Q240-Q270 HydrophobicContact CB-CG 4.17Å; Q240-Q270 HydrophobicContact CG-CG 3.83Å; K241-Q270 PolarHBondContact O-NE2 3.27Å; K241-Q270 PolarHBondContact O-OE1 3.35Å; K241-Q270 VanDerWaalsContact O-OE1 3.05Å; V242-Q270 VanDerWaalsContact CA-OE1 3.28Å; L266-Q270 PolarHBondContact O-N 2.95Å; L266-Q270 VanDerWaalsContact O-N 3.09Å; W267-Q270 PolarHBondContact O-N 2.78Å; R268-Q270 VanDerWaalsContact C-N 3.29Å; R268-Q270 PolarHBondContact O-N 2.87Å |
| 271 | N | 73.8 | Confident | 71 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | 20.7 | -177.1 | -69.5 | -82.7 | 0 | 0 | 0 | 113.2 | Q240 W267 R268 E269 D273 K274 Y276 I279 | Q240-N271 PolarHBondContact N-OD1 3.34Å; Q240-N271 PolarHBondContact O-ND2 3.06Å; W267-N271 PolarHBondContact NE1-ND2 3.4Å; W267-N271 WeakPolarHBondContact O-CB 3.4Å; W267-N271 PolarHBondContact O-N 2.89Å; W267-N271 PolarHBondContact O-ND2 2.67Å; R268-N271 CarbonylContact O-C 3.44Å; R268-N271 PolarHBondContact O-N 3.3Å; R268-N271 VanDerWaalsContact O-N 3.1Å; E269-N271 PolarHBondContact O-N 3.19Å; N271-D273 PolarHBondContact O-N 2.86Å; N271-D273 VanDerWaalsContact O-N 3.1Å; N271-K274 PolarHBondContact O-N 3.49Å; N271-Y276 HydrophobicContact CB-CD2 4.16Å; N271-Y276 HydrophobicContact CB-CE2 3.93Å; N271-I279 HydrophobicContact CB-CD1 4.14Å |
| 272 | K | 67.9 | Low | 70.9 | Confident | 113 Ų | 113 | 46 Ų | 46 | 49% | 0.491 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -35.2 | -176.1 | -77.9 | 178.9 | -174.2 | -177.8 | 0 | 114.6 | R268 E269 | R268-K272 PolarHBondContact O-N 2.87Å; R268-K272 VanDerWaalsContact O-N 3.13Å; E269-K272 WeakPolarHBondContact O-CG 3.09Å; E269-K272 WeakPolarHBondContact OE1-CE 3.16Å; E269-K272 IonicContact OE1-NZ 3.91Å; E269-K272 PolarHBondContact OE1-NZ 3.34Å; E269-K272 WeakPolarHBondContact OE2-CE 3.38Å; E269-K272 IonicContact OE2-NZ 2.72Å; E269-K272 PolarHBondContact OE2-NZ 3.07Å |
| 273 | D | 62.1 | Low | 70.6 | Confident | 158 Ų | 158 | 47.3 Ų | 47.3 | 85% | 0.845 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -4.7 | -174.9 | -57.6 | -40.1 | 0 | 0 | 0 | 113.9 | N271 | N271-D273 PolarHBondContact O-N 2.86Å; N271-D273 VanDerWaalsContact O-N 3.1Å |
| 274 | K | 63.6 | Low | 70.3 | Confident | 116 Ų | 116 | 52 Ų | 52 | 50% | 0.504 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -104.5 | 115.3 | 177.8 | -69.2 | 180 | -177.4 | 174.1 | 0 | 108.7 | N271 Y276 | N271-K274 PolarHBondContact O-N 3.49Å; K274-Y276 HydrophobicContact CB-CD2 4Å; K274-Y276 HydrophobicContact CB-CE2 3.46Å; K274-Y276 VanDerWaalsContact CB-CE2 3.46Å; K274-Y276 HydrophobicContact CD-CE2 4.41Å; K274-Y276 VanDerWaalsContact O-CD2 3.22Å; K274-Y276 WeakPolarHBondContact O-CD2 3.19Å; K274-Y276 PolarHBondContact O-N 3.36Å |
| 275 | L | 52.3 | Low | 70.1 | Confident | 141 Ų | 141 | 52.2 Ų | 52.2 | 74% | 0.738 | 26% | 0.261 | S | S | * | . | trans | -69.5 | 72.4 | -174 | -84.7 | 155.4 | 0 | 0 | 0 | 112.3 | Q280 | L275-Q280 HydrophobicContact CD2-CG 3.42Å; L275-Q280 VanDerWaalsContact CD2-CG 3.42Å | ||
| 276 | Y | 65.1 | Low | 70 | Confident | 49 Ų | 49 | 52.7 Ų | 52.7 | 19% | 0.192 | 27% | 0.265 | C | S | . | . | trans | -77.7 | 136.6 | 166.3 | -62.8 | -72.6 | 0 | 0 | 0 | 109.7 | P238 G239 W267 N271 K274 I278 I279 Q280 | P238-Y276 HydrophobicContact CB-CD1 4.38Å; P238-Y276 HydrophobicContact CB-CE1 3.74Å; P238-Y276 HydrophobicContact CG-CD1 3.91Å; P238-Y276 HydrophobicContact CG-CE1 3.77Å; G239-Y276 WeakPolarHBondContact CA-OH 2.94Å; G239-Y276 PolarHBondContact N-OH 3.37Å; W267-Y276 HydrophobicContact CH2-CG 4.38Å; W267-Y276 HydrophobicContact CZ2-CD2 4.26Å; W267-Y276 HydrophobicContact CZ2-CG 4.33Å; N271-Y276 HydrophobicContact CB-CD2 4.16Å; N271-Y276 HydrophobicContact CB-CE2 3.93Å; K274-Y276 HydrophobicContact CB-CD2 4Å; K274-Y276 HydrophobicContact CB-CE2 3.46Å; K274-Y276 VanDerWaalsContact CB-CE2 3.46Å; K274-Y276 HydrophobicContact CD-CE2 4.41Å; K274-Y276 VanDerWaalsContact O-CD2 3.22Å; K274-Y276 WeakPolarHBondContact O-CD2 3.19Å; K274-Y276 PolarHBondContact O-N 3.36Å; Y276-I278 VanDerWaalsContact C-N 3.26Å; Y276-I278 PolarHBondContact O-N 3.32Å; Y276-I278 VanDerWaalsContact O-N 3.17Å; Y276-I279 HydrophobicContact CD2-CD1 3.94Å; Y276-I279 PolarHBondContact O-N 2.94Å; Y276-Q280 PolarHBondContact O-N 2.05Å | ||
| 277 | G | 62.7 | Low | 69.7 | Low | 31 Ų | 31 | 57.8 Ų | 57.8 | 32% | 0.32 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.8 | -28.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | G281 Y389 | G277-G281 PolarHBondContact O-N 3.01Å; G277-Y389 PolarHBondContact N-OH 2.54Å |
| 278 | I | 64.8 | Low | 69.4 | Low | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.7 | -50.8 | 170.1 | -68.2 | 164.1 | 0 | 0 | 0 | 110.3 | V216 F217 L220 W267 Y276 Q280 G281 V282 Y389 | V216-I278 HydrophobicContact CG1-CG2 4.1Å; F217-I278 HydrophobicContact CE1-CG2 3.83Å; L220-I278 HydrophobicContact CD1-CD1 4.27Å; W267-I278 HydrophobicContact CZ3-CD1 4.46Å; Y276-I278 VanDerWaalsContact C-N 3.26Å; Y276-I278 PolarHBondContact O-N 3.32Å; Y276-I278 VanDerWaalsContact O-N 3.17Å; I278-Q280 VanDerWaalsContact C-N 3.29Å; I278-Q280 PolarHBondContact O-N 2.88Å; I278-G281 WeakPolarHBondContact O-CA 3.06Å; I278-G281 PolarHBondContact O-N 2.83Å; I278-V282 HydrophobicContact CG2-CG2 4.05Å; I278-V282 WeakPolarHBondContact O-CG2 3.41Å; I278-V282 PolarHBondContact O-N 2.97Å; I278-Y389 HydrophobicContact CB-CD2 4.49Å; I278-Y389 HydrophobicContact CB-CE2 4.3Å; I278-Y389 HydrophobicContact CD1-CD1 3.17Å; I278-Y389 HydrophobicContact CD1-CD2 3.75Å; I278-Y389 HydrophobicContact CD1-CE1 3.5Å; I278-Y389 HydrophobicContact CD1-CE2 4.09Å; I278-Y389 HydrophobicContact CD1-CG 3.25Å; I278-Y389 HydrophobicContact CG1-CD1 3.66Å; I278-Y389 HydrophobicContact CG1-CD2 3.23Å; I278-Y389 HydrophobicContact CG1-CE1 3.75Å; I278-Y389 HydrophobicContact CG1-CE2 3.38Å; I278-Y389 HydrophobicContact CG1-CG 3.34Å; I278-Y389 PolarHBondContact N-OH 2.78Å |
| 279 | I | 66.3 | Low | 69.3 | Low | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.5 | -41.6 | -175.6 | -58 | -177.5 | 0 | 0 | 0 | 109.4 | W267 R268 N271 Y276 G281 V282 N283 | W267-I279 HydrophobicContact CZ3-CG1 4.46Å; R268-I279 HydrophobicContact CG-CD1 4.27Å; R268-I279 HydrophobicContact CG-CG1 4.17Å; R268-I279 HydrophobicContact CG-CG2 4.41Å; N271-I279 HydrophobicContact CB-CD1 4.14Å; Y276-I279 HydrophobicContact CD2-CD1 3.94Å; Y276-I279 PolarHBondContact O-N 2.94Å; I279-G281 PolarHBondContact O-N 3.07Å; I279-V282 PolarHBondContact O-N 3.48Å; I279-N283 VanDerWaalsContact O-CB 3.22Å; I279-N283 WeakPolarHBondContact O-CB 3.27Å; I279-N283 PolarHBondContact O-N 2.97Å; I279-N283 PolarHBondContact O-ND2 3.43Å; I279-N283 PolarHBondContact O-OD1 2.94Å |
| 280 | Q | 68.4 | Low | 69.1 | Low | 92 Ų | 92 | 61.6 Ų | 61.6 | 43% | 0.43 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 171.1 | -71.3 | 179.6 | -0.2 | 0 | 0 | 112.8 | L275 Y276 I278 N283 H284 | L275-Q280 HydrophobicContact CD2-CG 3.42Å; L275-Q280 VanDerWaalsContact CD2-CG 3.42Å; Y276-Q280 PolarHBondContact O-N 2.05Å; I278-Q280 VanDerWaalsContact C-N 3.29Å; I278-Q280 PolarHBondContact O-N 2.88Å; Q280-N283 PolarHBondContact O-N 3.35Å; Q280-H284 WeakPolarHBondContact O-CB 3.41Å; Q280-H284 PolarHBondContact O-N 2.94Å |
| 281 | G | 70.5 | Confident | 68.7 | Low | 15 Ų | 15 | 68 Ų | 68 | 16% | 0.155 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.8 | -43 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | G277 I278 I279 H284 C285 | G277-G281 PolarHBondContact O-N 3.01Å; I278-G281 WeakPolarHBondContact O-CA 3.06Å; I278-G281 PolarHBondContact O-N 2.83Å; I279-G281 PolarHBondContact O-N 3.07Å; G281-H284 PolarHBondContact O-N 3.47Å; G281-C285 WeakPolarHBondContact O-CB 3.48Å; G281-C285 PolarHBondContact O-N 2.74Å |
| 282 | V | 72.1 | Confident | 68.4 | Low | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.2 | -50.5 | 174.7 | 179.3 | 0 | 0 | 0 | 0 | 109.9 | C212 E213 V216 R268 I278 I279 H284 C285 E286 | C212-V282 HydrophobicContact CB-CG1 4.36Å; E213-V282 HydrophobicContact CG-CG1 4.04Å; V216-V282 HydrophobicContact CB-CG2 3.83Å; V216-V282 HydrophobicContact CG1-CG2 3.8Å; V216-V282 HydrophobicContact CG2-CG2 3.91Å; R268-V282 VanDerWaalsContact NH1-CG1 3.3Å; I278-V282 HydrophobicContact CG2-CG2 4.05Å; I278-V282 WeakPolarHBondContact O-CG2 3.41Å; I278-V282 PolarHBondContact O-N 2.97Å; I279-V282 PolarHBondContact O-N 3.48Å; V282-H284 VanDerWaalsContact C-N 3.25Å; V282-H284 PolarHBondContact O-N 2.65Å; V282-C285 WeakPolarHBondContact O-CA 3.44Å; V282-C285 WeakPolarHBondContact O-CB 3.24Å; V282-C285 PolarHBondContact O-N 3.12Å; V282-E286 HydrophobicContact CG1-CG 4.24Å; V282-E286 WeakPolarHBondContact CG1-OE1 3.5Å; V282-E286 VanDerWaalsContact O-CG 3.28Å; V282-E286 WeakPolarHBondContact O-CG 3.14Å; V282-E286 PolarHBondContact O-N 2.9Å |
| 283 | N | 70.8 | Confident | 67.8 | Low | 44 Ų | 44 | 70.3 Ų | 70.3 | 24% | 0.235 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56 | -39.2 | 176.3 | -70.8 | -11.1 | 0 | 0 | 0 | 112.2 | R268 I279 Q280 R287 | R268-N283 PolarHBondContact NH2-OD1 3.16Å; I279-N283 VanDerWaalsContact O-CB 3.22Å; I279-N283 WeakPolarHBondContact O-CB 3.27Å; I279-N283 PolarHBondContact O-N 2.97Å; I279-N283 PolarHBondContact O-ND2 3.43Å; I279-N283 PolarHBondContact O-OD1 2.94Å; Q280-N283 PolarHBondContact O-N 3.35Å; N283-R287 WeakPolarHBondContact O-CB 3.43Å; N283-R287 VanDerWaalsContact O-CG 3.23Å; N283-R287 WeakPolarHBondContact O-CG 3.45Å; N283-R287 PolarHBondContact O-N 2.8Å |
| 284 | H | 73.5 | Confident | 67.7 | Low | 99 Ų | 99 | 64 Ų | 64 | 46% | 0.458 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.5 | -40.2 | 177.1 | -174.6 | 62.4 | 0 | 0 | 0 | 112.5 | Q280 G281 V282 K288 | Q280-H284 WeakPolarHBondContact O-CB 3.41Å; Q280-H284 PolarHBondContact O-N 2.94Å; G281-H284 PolarHBondContact O-N 3.47Å; V282-H284 VanDerWaalsContact C-N 3.25Å; V282-H284 PolarHBondContact O-N 2.65Å; H284-K288 VanDerWaalsContact NE2-CE 3.32Å; H284-K288 WeakPolarHBondContact NE2-CE 3.05Å; H284-K288 PolarHBondContact NE2-NZ 2.05Å; H284-K288 WeakPolarHBondContact O-CG 3.41Å; H284-K288 PolarHBondContact O-N 3.2Å; H284-K288 VanDerWaalsContact O-N 3.09Å |
| 285 | C | 75.6 | Confident | 67.7 | Low | 4 Ų | 4 | 60.5 Ų | 60.5 | 3% | 0.027 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.7 | -50 | 171.6 | 179 | 0 | 0 | 0 | 0 | 110.4 | C212 G281 V282 R287 K288 V289 T383 | C212-C285 HydrophobicContact CB-CB 3.66Å; C212-C285 WeakPolarHBondContact CB-SG 3.48Å; C212-C285 WeakPolarHBondContact SG-CB 2.85Å; C212-C285 CovalentContact SG-SG 2.05Å; C212-C285 PolarHBondContact SG-SG 3.44Å; G281-C285 WeakPolarHBondContact O-CB 3.48Å; G281-C285 PolarHBondContact O-N 2.74Å; V282-C285 WeakPolarHBondContact O-CA 3.44Å; V282-C285 WeakPolarHBondContact O-CB 3.24Å; V282-C285 PolarHBondContact O-N 3.12Å; C285-R287 VanDerWaalsContact C-N 3.35Å; C285-R287 PolarHBondContact O-N 2.69Å; C285-K288 PolarHBondContact O-N 3.47Å; C285-V289 WeakPolarHBondContact O-CG2 3.36Å; C285-V289 PolarHBondContact O-N 3.42Å; C285-T383 HydrophobicContact CB-CG2 3.83Å |
| 286 | E | 74.8 | Confident | 68.1 | Low | 32 Ų | 32 | 62.2 Ų | 62.2 | 15% | 0.15 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.9 | -45.8 | -179.4 | -69.5 | 176.4 | 168.4 | 0 | 0 | 111.4 | A209 C212 R268 V282 K288 V289 S290 | A209-E286 HydrophobicContact CB-CB 3.68Å; A209-E286 HydrophobicContact CB-CG 3.56Å; C212-E286 HydrophobicContact CB-CG 3.76Å; C212-E286 PolarHBondContact SG-N 2.89Å; C212-E286 VanDerWaalsContact SG-N 3.42Å; R268-E286 IonicContact CZ-OE1 2.62Å; R268-E286 IonicContact CZ-OE2 3.32Å; R268-E286 IonicContact NH1-OE1 3.2Å; R268-E286 PolarHBondContact NH1-OE1 3.02Å; R268-E286 IonicContact NH1-OE2 3.56Å; R268-E286 VanDerWaalsContact NH2-CD 3.3Å; R268-E286 IonicContact NH2-OE1 3.85Å; R268-E286 PolarHBondContact NH2-OE1 3.33Å; R268-E286 VanDerWaalsContact NH2-OE1 3.13Å; R268-E286 IonicContact NH2-OE2 2.74Å; R268-E286 PolarHBondContact NH2-OE2 3.37Å; V282-E286 HydrophobicContact CG1-CG 4.24Å; V282-E286 WeakPolarHBondContact CG1-OE1 3.5Å; V282-E286 VanDerWaalsContact O-CG 3.28Å; V282-E286 WeakPolarHBondContact O-CG 3.14Å; V282-E286 PolarHBondContact O-N 2.9Å; E286-K288 VanDerWaalsContact C-N 3.32Å; E286-K288 PolarHBondContact O-N 2.92Å; E286-V289 PolarHBondContact O-N 3.42Å; E286-S290 WeakPolarHBondContact O-CB 3.42Å; E286-S290 PolarHBondContact O-N 3.38Å; E286-S290 PolarHBondContact O-OG 2.93Å; E286-S290 VanDerWaalsContact O-OG 3.07Å |
| 287 | R | 71.6 | Confident | 68.5 | Low | 151 Ų | 151 | 66.5 Ų | 66.5 | 57% | 0.57 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.3 | -35.3 | 174.1 | -72.1 | 173.1 | -165.2 | 174.7 | 3.6 | 113.4 | N283 C285 S290 R291 | N283-R287 WeakPolarHBondContact O-CB 3.43Å; N283-R287 VanDerWaalsContact O-CG 3.23Å; N283-R287 WeakPolarHBondContact O-CG 3.45Å; N283-R287 PolarHBondContact O-N 2.8Å; C285-R287 VanDerWaalsContact C-N 3.35Å; C285-R287 PolarHBondContact O-N 2.69Å; R287-S290 PolarHBondContact O-OG 2.71Å; R287-S290 VanDerWaalsContact O-OG 3.13Å; R287-R291 WeakPolarHBondContact O-CB 3.47Å; R287-R291 WeakPolarHBondContact O-CD 3.42Å; R287-R291 WeakPolarHBondContact O-CG 3.33Å; R287-R291 PolarHBondContact O-N 3.38Å |
| 288 | K | 75.1 | Confident | 69.4 | Low | 96 Ų | 96 | 65.7 Ų | 65.7 | 42% | 0.417 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -76.9 | -38.6 | 178.4 | -79 | -177.1 | 172 | -178.6 | 0 | 112.2 | H284 C285 E286 R291 C292 I379 | H284-K288 VanDerWaalsContact NE2-CE 3.32Å; H284-K288 WeakPolarHBondContact NE2-CE 3.05Å; H284-K288 PolarHBondContact NE2-NZ 2.05Å; H284-K288 WeakPolarHBondContact O-CG 3.41Å; H284-K288 PolarHBondContact O-N 3.2Å; H284-K288 VanDerWaalsContact O-N 3.09Å; C285-K288 PolarHBondContact O-N 3.47Å; E286-K288 VanDerWaalsContact C-N 3.32Å; E286-K288 PolarHBondContact O-N 2.92Å; K288-R291 PolarHBondContact O-N 3.07Å; K288-C292 PolarHBondContact O-N 2.85Å; K288-I379 HydrophobicContact CB-CD1 4.1Å; K288-I379 HydrophobicContact CB-CG1 4.36Å; K288-I379 HydrophobicContact CB-CG2 3.9Å |
| 289 | V | 74.6 | Confident | 70.7 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.012 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68 | -43.5 | 176.9 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | C285 E286 R291 C292 L334 I379 | C285-V289 WeakPolarHBondContact O-CG2 3.36Å; C285-V289 PolarHBondContact O-N 3.42Å; E286-V289 PolarHBondContact O-N 3.42Å; V289-R291 VanDerWaalsContact C-N 3.27Å; V289-R291 PolarHBondContact O-N 3.42Å; V289-C292 WeakPolarHBondContact O-CB 3.08Å; V289-C292 PolarHBondContact O-N 2.9Å; V289-C292 VanDerWaalsContact O-N 3.1Å; V289-L334 HydrophobicContact CG1-CD1 3.93Å; V289-L334 HydrophobicContact CG1-CD2 3.45Å; V289-L334 VanDerWaalsContact CG1-CD2 3.45Å; V289-L334 HydrophobicContact CG1-CG 4.37Å; V289-I379 HydrophobicContact CG2-CB 4.21Å; V289-I379 HydrophobicContact CG2-CG2 3.54Å |
| 290 | S | 69.9 | Low | 71.9 | Confident | 77 Ų | 77 | 71.3 Ų | 71.3 | 54% | 0.538 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.4 | -29 | 177.4 | 65.1 | 0 | 0 | 0 | 0 | 113.4 | E286 R287 | E286-S290 WeakPolarHBondContact O-CB 3.42Å; E286-S290 PolarHBondContact O-N 3.38Å; E286-S290 PolarHBondContact O-OG 2.93Å; E286-S290 VanDerWaalsContact O-OG 3.07Å; R287-S290 PolarHBondContact O-OG 2.71Å; R287-S290 VanDerWaalsContact O-OG 3.13Å |
| 291 | R | 68.1 | Low | 73 | Confident | 198 Ų | 198 | 71.2 Ų | 71.2 | 75% | 0.747 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -4.9 | 174.3 | -69.8 | 175.5 | -174.8 | -175.1 | 0.8 | 114.2 | R287 K288 V289 N293 | R287-R291 WeakPolarHBondContact O-CB 3.47Å; R287-R291 WeakPolarHBondContact O-CD 3.42Å; R287-R291 WeakPolarHBondContact O-CG 3.33Å; R287-R291 PolarHBondContact O-N 3.38Å; K288-R291 PolarHBondContact O-N 3.07Å; V289-R291 VanDerWaalsContact C-N 3.27Å; V289-R291 PolarHBondContact O-N 3.42Å; R291-N293 PolarHBondContact O-N 2.92Å; R291-N293 VanDerWaalsContact O-N 3.1Å |
| 292 | C | 66.9 | Low | 74 | Confident | 27 Ų | 27 | 70.7 Ų | 70.7 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -66.9 | 113.7 | 168.8 | -83 | 0 | 0 | 0 | 0 | 108 | K288 V289 A294 I379 | K288-C292 PolarHBondContact O-N 2.85Å; V289-C292 WeakPolarHBondContact O-CB 3.08Å; V289-C292 PolarHBondContact O-N 2.9Å; V289-C292 VanDerWaalsContact O-N 3.1Å; C292-A294 VanDerWaalsContact C-N 3.27Å; C292-A294 PolarHBondContact O-N 2.74Å; C292-I379 WeakPolarHBondContact SG-CD1 3.41Å |
| 293 | N | 56 | Low | 75 | Confident | 139 Ų | 139 | 70.7 Ų | 70.7 | 74% | 0.743 | 35% | 0.35 | S | S | * | . | trans | -51.1 | 94 | 173.9 | -76.2 | -4 | 0 | 0 | 0 | 110 | R291 L295 | R291-N293 PolarHBondContact O-N 2.92Å; R291-N293 VanDerWaalsContact O-N 3.1Å; N293-L295 PolarHBondContact O-N 3.22Å | ||
| 294 | A | 59.3 | Low | 76.1 | Confident | 26 Ų | 26 | 70.3 Ų | 70.3 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | trans | -70.2 | 130.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | C292 K296 R330 | C292-A294 VanDerWaalsContact C-N 3.27Å; C292-A294 PolarHBondContact O-N 2.74Å; A294-K296 PolarHBondContact O-N 3.01Å; A294-R330 VanDerWaalsContact CB-CA 3.43Å; A294-R330 HydrophobicContact CB-CB 3.95Å; A294-R330 WeakPolarHBondContact CB-O 3.49Å | ||
| 295 | L | 63.2 | Low | 77.1 | Confident | 42 Ų | 42 | 68.9 Ų | 68.9 | 22% | 0.22 | 34% | 0.34 | C | S | . | . | trans | -57 | 125.7 | -176 | -67.8 | 157.1 | 0 | 0 | 0 | 108.6 | N293 N297 L298 Y368 S372 | N293-L295 PolarHBondContact O-N 3.22Å; L295-N297 PolarHBondContact O-N 2.84Å; L295-L298 HydrophobicContact CB-CD1 4.11Å; L295-L298 HydrophobicContact CB-CD2 4.21Å; L295-L298 HydrophobicContact CB-CG 3.79Å; L295-L298 HydrophobicContact CD1-CD1 4.38Å; L295-L298 HydrophobicContact CD1-CD2 3.7Å; L295-L298 HydrophobicContact CD1-CG 4.17Å; L295-Y368 HydrophobicContact CD1-CD2 3.6Å; L295-Y368 HydrophobicContact CD1-CE2 4.41Å; L295-Y368 HydrophobicContact CD1-CG 4.45Å; L295-Y368 HydrophobicContact CD2-CD2 4.3Å; L295-Y368 HydrophobicContact CD2-CG 4.48Å; L295-S372 VanDerWaalsContact CD1-OG 3.26Å; L295-S372 WeakPolarHBondContact CD1-OG 3.37Å; L295-S372 WeakPolarHBondContact CG-OG 3.47Å | ||
| 296 | K | 61.8 | Low | 77.9 | Confident | 177 Ų | 177 | 68.7 Ų | 68.7 | 77% | 0.77 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -15.9 | -177.7 | -66.3 | -176.8 | 177.7 | -177.2 | 0 | 113 | A294 P329 | A294-K296 PolarHBondContact O-N 3.01Å; K296-P329 WeakPolarHBondContact O-CB 3.28Å |
| 297 | N | 71.5 | Confident | 78.8 | Confident | 139 Ų | 139 | 67.2 Ų | 67.2 | 74% | 0.743 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.8 | 52.9 | -168.6 | -59.4 | -0.1 | 0 | 0 | 0 | 111.8 | L295 | L295-N297 PolarHBondContact O-N 2.84Š|
| 298 | L | 83.4 | Confident | 79.9 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 7% | 0.068 | 32% | 0.322 | C | S | . | . | trans | -84 | 128.9 | 171.2 | -73.7 | 167.8 | 0 | 0 | 0 | 110 | L295 D302 L303 Y332 L333 Y368 L369 | L295-L298 HydrophobicContact CB-CD1 4.11Å; L295-L298 HydrophobicContact CB-CD2 4.21Å; L295-L298 HydrophobicContact CB-CG 3.79Å; L295-L298 HydrophobicContact CD1-CD1 4.38Å; L295-L298 HydrophobicContact CD1-CD2 3.7Å; L295-L298 HydrophobicContact CD1-CG 4.17Å; L298-D302 HydrophobicContact CD2-CB 3.78Å; L298-L303 HydrophobicContact CB-CD2 4.35Å; L298-L303 HydrophobicContact CD1-CD2 4.14Å; L298-Y332 HydrophobicContact CB-CD2 4.24Å; L298-L333 HydrophobicContact CD1-CD1 3.76Å; L298-L333 HydrophobicContact CD1-CD2 4.02Å; L298-L333 HydrophobicContact CD1-CG 3.51Å; L298-Y368 HydrophobicContact CD2-CE2 4.13Å; L298-L369 HydrophobicContact CD2-CD1 3.73Å | ||
| 299 | T | 90.2 | Very high | 80.8 | Confident | 74 Ų | 74 | 58.9 Ų | 58.9 | 45% | 0.454 | 30% | 0.303 | S | S | . | . | trans | -83.9 | 165.2 | 173.7 | 65.2 | 0 | 0 | 0 | 0 | 111.2 | D301 D302 L303 | T299-D301 PolarHBondContact O-N 3.13Å; T299-D302 WeakPolarHBondContact CB-OD2 3.32Å; T299-D302 PolarHBondContact N-OD2 3.18Å; T299-D302 WeakPolarHBondContact O-CB 3.15Å; T299-D302 PolarHBondContact O-N 3.36Å; T299-D302 PolarHBondContact OG1-N 2.98Å; T299-D302 VanDerWaalsContact OG1-N 3.14Å; T299-D302 PolarHBondContact OG1-OD2 3.15Å; T299-L303 WeakPolarHBondContact O-CG 3.45Å; T299-L303 PolarHBondContact O-N 3.28Å; T299-L303 VanDerWaalsContact O-N 3.15Å | ||
| 300 | V | 91.6 | Very high | 81.8 | Confident | 50 Ų | 50 | 59.1 Ų | 59.1 | 30% | 0.303 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.6 | -40 | 171.7 | 177 | 0 | 0 | 0 | 0 | 110.6 | D302 L303 M304 V320 V324 | V300-D302 PolarHBondContact O-N 3.38Å; V300-L303 PolarHBondContact O-N 3.09Å; V300-M304 HydrophobicContact CG1-CG 4.2Å; V300-M304 WeakPolarHBondContact O-CB 3.49Å; V300-M304 VanDerWaalsContact O-CG 3.29Å; V300-M304 WeakPolarHBondContact O-CG 3.5Å; V300-M304 PolarHBondContact O-N 3.34Å; V300-V320 HydrophobicContact CG1-CG1 4.27Å; V300-V324 HydrophobicContact CG2-CG2 4.19Å |
| 301 | D | 92.6 | Very high | 82.8 | Confident | 90 Ų | 90 | 56.4 Ų | 56.4 | 48% | 0.481 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 176.4 | 178.9 | 64.6 | 0 | 0 | 0 | 112.4 | T299 L303 M304 K305 | T299-D301 PolarHBondContact O-N 3.13Å; D301-L303 VanDerWaalsContact C-N 3.33Å; D301-L303 PolarHBondContact O-N 3Å; D301-M304 PolarHBondContact O-N 3.05Å; D301-K305 WeakPolarHBondContact O-CG 3.34Å; D301-K305 PolarHBondContact O-N 2.9Å; D301-K305 WeakPolarHBondContact OD2-CE 3.47Å; D301-K305 IonicContact OD2-NZ 3.79Å; D301-K305 PolarHBondContact OD2-NZ 3.02Å |
| 302 | D | 92 | Very high | 83.9 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 174.4 | -66.1 | -59.4 | 0 | 0 | 0 | 112 | L298 T299 V300 K305 V306 Y368 L369 | L298-D302 HydrophobicContact CD2-CB 3.78Å; T299-D302 WeakPolarHBondContact CB-OD2 3.32Å; T299-D302 PolarHBondContact N-OD2 3.18Å; T299-D302 WeakPolarHBondContact O-CB 3.15Å; T299-D302 PolarHBondContact O-N 3.36Å; T299-D302 PolarHBondContact OG1-N 2.98Å; T299-D302 VanDerWaalsContact OG1-N 3.14Å; T299-D302 PolarHBondContact OG1-OD2 3.15Å; V300-D302 PolarHBondContact O-N 3.38Å; D302-K305 WeakPolarHBondContact O-CB 3.42Å; D302-K305 PolarHBondContact O-N 2.82Å; D302-V306 PolarHBondContact O-N 2.04Å; D302-Y368 PolarHBondContact OD1-OH 3.41Å; D302-Y368 PolarHBondContact OD2-OH 2.8Å; D302-L369 HydrophobicContact CB-CD1 4.48Å; D302-L369 HydrophobicContact CB-CD2 4.48Å |
| 303 | L | 92.1 | Very high | 85 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.4 | -35.9 | 178.9 | -62.3 | 176.8 | 0 | 0 | 0 | 111.9 | L298 T299 V300 D301 V306 T307 V320 V324 Y332 L333 I336 | L298-L303 HydrophobicContact CB-CD2 4.35Å; L298-L303 HydrophobicContact CD1-CD2 4.14Å; T299-L303 WeakPolarHBondContact O-CG 3.45Å; T299-L303 PolarHBondContact O-N 3.28Å; T299-L303 VanDerWaalsContact O-N 3.15Å; V300-L303 PolarHBondContact O-N 3.09Å; D301-L303 VanDerWaalsContact C-N 3.33Å; D301-L303 PolarHBondContact O-N 3Å; L303-V306 PolarHBondContact O-N 3.2Å; L303-T307 WeakPolarHBondContact O-CB 3.46Å; L303-T307 PolarHBondContact O-N 2.75Å; L303-T307 PolarHBondContact O-OG1 2.77Å; L303-V320 HydrophobicContact CB-CG1 3.62Å; L303-V320 HydrophobicContact CD1-CG1 3.99Å; L303-V320 HydrophobicContact CG-CG1 4.48Å; L303-V324 HydrophobicContact CD1-CG2 3.54Å; L303-Y332 HydrophobicContact CD1-CD2 4.07Å; L303-Y332 HydrophobicContact CD1-CG 4.24Å; L303-L333 HydrophobicContact CD2-CD2 3.97Å; L303-I336 HydrophobicContact CD2-CG1 4.29Å |
| 304 | M | 94.4 | Very high | 86.6 | Confident | 36 Ų | 36 | 50.7 Ų | 50.7 | 18% | 0.177 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.2 | -38.2 | 174 | -72 | -57.5 | -70.9 | 0 | 0 | 111.6 | V300 D301 T307 N308 E317 V320 | V300-M304 HydrophobicContact CG1-CG 4.2Å; V300-M304 WeakPolarHBondContact O-CB 3.49Å; V300-M304 VanDerWaalsContact O-CG 3.29Å; V300-M304 WeakPolarHBondContact O-CG 3.5Å; V300-M304 PolarHBondContact O-N 3.34Å; D301-M304 PolarHBondContact O-N 3.05Å; M304-T307 PolarHBondContact O-N 2.75Å; M304-N308 VanDerWaalsContact O-CB 3.28Å; M304-N308 WeakPolarHBondContact O-CB 3.01Å; M304-N308 PolarHBondContact O-N 3.01Å; M304-N308 PolarHBondContact O-ND2 3.37Å; M304-E317 HydrophobicContact CE-CB 3.97Å; M304-E317 HydrophobicContact CE-CG 4.13Å; M304-E317 HydrophobicContact SD-CB 4.18Å; M304-E317 HydrophobicContact SD-CG 4.07Å; M304-V320 HydrophobicContact SD-CB 4.1Å; M304-V320 HydrophobicContact SD-CG1 4.26Å; M304-V320 HydrophobicContact SD-CG2 3.67Å |
| 305 | K | 93.9 | Very high | 88.1 | Confident | 70 Ų | 70 | 49.9 Ų | 49.9 | 30% | 0.304 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 172 | -75.9 | 166.8 | 175.6 | 158.5 | 0 | 111.8 | D301 D302 S309 L360 L369 | D301-K305 WeakPolarHBondContact O-CG 3.34Å; D301-K305 PolarHBondContact O-N 2.9Å; D301-K305 WeakPolarHBondContact OD2-CE 3.47Å; D301-K305 IonicContact OD2-NZ 3.79Å; D301-K305 PolarHBondContact OD2-NZ 3.02Å; D302-K305 WeakPolarHBondContact O-CB 3.42Å; D302-K305 PolarHBondContact O-N 2.82Å; K305-S309 WeakPolarHBondContact O-CB 3.31Å; K305-S309 PolarHBondContact O-N 2.87Å; K305-S309 VanDerWaalsContact O-N 3.14Å; K305-S309 PolarHBondContact O-OG 2.01Å; K305-L360 HydrophobicContact CB-CD2 4.29Å; K305-L369 HydrophobicContact CB-CD2 4.31Å |
| 306 | V | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.8 | -50.3 | 175.5 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | D302 L303 N308 S309 L310 L333 L369 | D302-V306 PolarHBondContact O-N 2.04Å; L303-V306 PolarHBondContact O-N 3.2Å; V306-N308 VanDerWaalsContact C-N 3.34Å; V306-N308 PolarHBondContact O-N 3.41Å; V306-S309 PolarHBondContact O-N 3.25Å; V306-S309 VanDerWaalsContact O-N 3.11Å; V306-S309 PolarHBondContact O-OG 3.48Å; V306-L310 HydrophobicContact CG1-CD1 4.36Å; V306-L310 PolarHBondContact O-N 3.14Å; V306-L333 HydrophobicContact CG1-CD2 4.46Å; V306-L333 HydrophobicContact CG2-CD2 3.92Å; V306-L369 HydrophobicContact CG2-CD1 3.58Å; V306-L369 HydrophobicContact CG2-CD2 3.83Å; V306-L369 HydrophobicContact CG2-CG 3.83Å |
| 307 | T | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.4 | -46.4 | -179.1 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | L303 M304 S309 L310 K314 V315 I336 | L303-T307 WeakPolarHBondContact O-CB 3.46Å; L303-T307 PolarHBondContact O-N 2.75Å; L303-T307 PolarHBondContact O-OG1 2.77Å; M304-T307 PolarHBondContact O-N 2.75Å; T307-S309 VanDerWaalsContact C-N 3.25Å; T307-S309 PolarHBondContact O-N 3.41Å; T307-L310 PolarHBondContact O-N 3.34Å; T307-K314 HydrophobicContact CG2-CB 4.28Å; T307-V315 HydrophobicContact CG2-CB 3.61Å; T307-V315 HydrophobicContact CG2-CG2 4.26Å; T307-V315 VanDerWaalsContact CG2-O 3.23Å; T307-V315 WeakPolarHBondContact CG2-O 3.21Å; T307-I336 WeakPolarHBondContact OG1-CG2 3.31Å |
| 308 | N | 93.9 | Very high | 91.1 | Very high | 70 Ų | 70 | 49.4 Ų | 49.4 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69 | -22.7 | 179.7 | -78.9 | -47.9 | 0 | 0 | 0 | 113.9 | M304 V306 K314 | M304-N308 VanDerWaalsContact O-CB 3.28Å; M304-N308 WeakPolarHBondContact O-CB 3.01Å; M304-N308 PolarHBondContact O-N 3.01Å; M304-N308 PolarHBondContact O-ND2 3.37Å; V306-N308 VanDerWaalsContact C-N 3.34Å; V306-N308 PolarHBondContact O-N 3.41Å; N308-K314 WeakPolarHBondContact OD1-CD 3.27Å; N308-K314 PolarHBondContact OD1-NZ 2.84Å |
| 309 | S | 95.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -80.8 | -18.6 | 178 | 74.9 | 0 | 0 | 0 | 0 | 113.9 | K305 V306 T307 S356 | K305-S309 WeakPolarHBondContact O-CB 3.31Å; K305-S309 PolarHBondContact O-N 2.87Å; K305-S309 VanDerWaalsContact O-N 3.14Å; K305-S309 PolarHBondContact O-OG 2.01Å; V306-S309 PolarHBondContact O-N 3.25Å; V306-S309 VanDerWaalsContact O-N 3.11Å; V306-S309 PolarHBondContact O-OG 3.48Å; T307-S309 VanDerWaalsContact C-N 3.25Å; T307-S309 PolarHBondContact O-N 3.41Å; S309-S356 VanDerWaalsContact O-CA 3.32Å; S309-S356 WeakPolarHBondContact O-CA 3.08Å; S309-S356 WeakPolarHBondContact OG-CB 3.12Å; S309-S356 PolarHBondContact OG-OG 2.72Å |
| 310 | L | 94.6 | Very high | 91 | Very high | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.042 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -78.8 | 145.8 | 179.9 | -70.3 | 160.8 | 0 | 0 | 0 | 111 | V306 T307 L337 W340 | V306-L310 HydrophobicContact CG1-CD1 4.36Å; V306-L310 PolarHBondContact O-N 3.14Å; T307-L310 PolarHBondContact O-N 3.34Å; L310-L337 HydrophobicContact CD1-CD2 3.89Å; L310-L337 HydrophobicContact CD2-CD2 4.16Å; L310-W340 HydrophobicContact CB-CD2 4.31Å; L310-W340 HydrophobicContact CB-CG 4.21Å; L310-W340 HydrophobicContact CD1-CB 4.07Å; L310-W340 HydrophobicContact CD1-CD2 4.15Å; L310-W340 HydrophobicContact CD1-CG 3.77Å; L310-W340 HydrophobicContact CD2-CD2 4.32Å; L310-W340 HydrophobicContact CG-CG 4.46Å |
| 311 | P | 92.3 | Very high | 90.8 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 12% | 0.123 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -78.1 | 161.1 | 179.4 | 30.6 | -31.8 | 0 | 0 | 0 | 112.8 | W340 L347 | P311-W340 HydrophobicContact CG-CZ2 3.94Å; P311-W340 WeakPolarHBondContact O-CZ2 3.02Å; P311-W340 PolarHBondContact O-NE1 3.45Å; P311-L347 HydrophobicContact CG-CD1 4.46Å |
| 312 | G | 91.1 | Very high | 90.4 | Very high | 55 Ų | 55 | 46.8 Ų | 46.8 | 57% | 0.567 | 25% | 0.246 | S | C | * | . | S | Bend | trans | 82.7 | -148.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K314 N344 | G312-K314 PolarHBondContact O-N 2.88Å; G312-N344 WeakPolarHBondContact CA-OD1 3.44Å |
| 313 | V | 88.4 | Confident | 90.1 | Very high | 85 Ų | 85 | 46.8 Ų | 46.8 | 52% | 0.515 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -68.6 | 126.3 | 179 | -176 | 0 | 0 | 0 | 0 | 109.1 | A343 N344 | V313-A343 HydrophobicContact CB-CB 4.3Å; V313-A343 HydrophobicContact CG1-CB 4.26Å; V313-N344 PolarHBondContact N-OD1 3.4Å; V313-N344 PolarHBondContact O-ND2 2.92Å |
| 314 | K | 90.9 | Very high | 89.8 | Confident | 105 Ų | 105 | 48.9 Ų | 48.9 | 46% | 0.457 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 149.4 | -179.1 | -61.5 | 178.3 | 177.2 | -172.4 | 0 | 110.6 | T307 N308 G312 | T307-K314 HydrophobicContact CG2-CB 4.28Å; N308-K314 WeakPolarHBondContact OD1-CD 3.27Å; N308-K314 PolarHBondContact OD1-NZ 2.84Å; G312-K314 PolarHBondContact O-N 2.88Å |
| 315 | V | 89.6 | Confident | 89.4 | Confident | 9 Ų | 9 | 51.7 Ų | 51.7 | 6% | 0.055 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 133.6 | 167 | -177 | 0 | 0 | 0 | 0 | 108 | T307 D319 V320 I336 L339 W340 | T307-V315 HydrophobicContact CG2-CB 3.61Å; T307-V315 HydrophobicContact CG2-CG2 4.26Å; T307-V315 VanDerWaalsContact CG2-O 3.23Å; T307-V315 WeakPolarHBondContact CG2-O 3.21Å; V315-D319 HydrophobicContact CG1-CB 3.78Å; V315-V320 HydrophobicContact CG1-CG2 4.09Å; V315-I336 HydrophobicContact CG1-CD1 4.33Å; V315-L339 HydrophobicContact CG1-CB 4.09Å; V315-L339 HydrophobicContact CG1-CD1 4Å; V315-L339 HydrophobicContact CG2-CB 3.92Å; V315-W340 HydrophobicContact CG2-CB 3.76Å |
| 316 | Q | 87.8 | Confident | 88.7 | Confident | 113 Ų | 113 | 52.3 Ų | 52.3 | 53% | 0.528 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 150.6 | -176.4 | -61 | -66.9 | -2.3 | 0 | 0 | 110.7 | Q318 D319 V320 | Q316-Q318 HydrophobicContact CB-CG 3.89Å; Q316-Q318 PolarHBondContact O-N 3.07Å; Q316-D319 WeakPolarHBondContact CB-OD2 3.44Å; Q316-D319 WeakPolarHBondContact O-CB 3.35Å; Q316-D319 PolarHBondContact O-N 2.9Å; Q316-V320 WeakPolarHBondContact O-CG2 3.4Å; Q316-V320 PolarHBondContact O-N 3.28Å |
| 317 | E | 88.8 | Confident | 88.1 | Confident | 92 Ų | 92 | 52.8 Ų | 52.8 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58 | -35.3 | -179.5 | -170.6 | -175 | 153.3 | 0 | 0 | 112.3 | M304 D319 V320 K321 | M304-E317 HydrophobicContact CE-CB 3.97Å; M304-E317 HydrophobicContact CE-CG 4.13Å; M304-E317 HydrophobicContact SD-CB 4.18Å; M304-E317 HydrophobicContact SD-CG 4.07Å; E317-D319 VanDerWaalsContact C-N 3.28Å; E317-D319 PolarHBondContact O-N 3.34Å; E317-V320 PolarHBondContact O-N 2.92Å; E317-K321 WeakPolarHBondContact O-CG 3.48Å; E317-K321 PolarHBondContact O-N 3.07Å; E317-K321 WeakPolarHBondContact OE1-CE 3.26Å; E317-K321 IonicContact OE1-NZ 2.69Å; E317-K321 PolarHBondContact OE1-NZ 2.8Å |
| 318 | Q | 83.8 | Confident | 87.6 | Confident | 142 Ų | 142 | 56.9 Ų | 56.9 | 66% | 0.664 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.2 | -39.3 | 174.3 | 68.1 | -173.6 | 7.2 | 0 | 0 | 112.2 | Q316 K321 A322 | Q316-Q318 HydrophobicContact CB-CG 3.89Å; Q316-Q318 PolarHBondContact O-N 3.07Å; Q318-K321 PolarHBondContact O-N 2.7Å; Q318-A322 WeakPolarHBondContact O-CB 3.5Å; Q318-A322 PolarHBondContact O-N 3.39Å |
| 319 | D | 83.8 | Confident | 86.9 | Confident | 36 Ų | 36 | 55.9 Ų | 55.9 | 19% | 0.193 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -74.3 | -35 | 179.3 | -55.2 | -40.1 | 0 | 0 | 0 | 110.3 | V315 Q316 E317 A322 V323 L339 | V315-D319 HydrophobicContact CG1-CB 3.78Å; Q316-D319 WeakPolarHBondContact CB-OD2 3.44Å; Q316-D319 WeakPolarHBondContact O-CB 3.35Å; Q316-D319 PolarHBondContact O-N 2.9Å; E317-D319 VanDerWaalsContact C-N 3.28Å; E317-D319 PolarHBondContact O-N 3.34Å; D319-A322 WeakPolarHBondContact O-CB 3.11Å; D319-A322 PolarHBondContact O-N 3.28Å; D319-V323 VanDerWaalsContact O-CG2 3.3Å; D319-V323 WeakPolarHBondContact O-CG2 3.44Å; D319-V323 PolarHBondContact O-N 3.36Å; D319-L339 HydrophobicContact CB-CD1 4.16Å |
| 320 | V | 88.6 | Confident | 86 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 172.6 | -177.8 | 0 | 0 | 0 | 0 | 111 | V300 L303 M304 V315 Q316 E317 A322 V323 V324 I336 | V300-V320 HydrophobicContact CG1-CG1 4.27Å; L303-V320 HydrophobicContact CB-CG1 3.62Å; L303-V320 HydrophobicContact CD1-CG1 3.99Å; L303-V320 HydrophobicContact CG-CG1 4.48Å; M304-V320 HydrophobicContact SD-CB 4.1Å; M304-V320 HydrophobicContact SD-CG1 4.26Å; M304-V320 HydrophobicContact SD-CG2 3.67Å; V315-V320 HydrophobicContact CG1-CG2 4.09Å; Q316-V320 WeakPolarHBondContact O-CG2 3.4Å; Q316-V320 PolarHBondContact O-N 3.28Å; E317-V320 PolarHBondContact O-N 2.92Å; V320-A322 VanDerWaalsContact C-N 3.35Å; V320-V323 PolarHBondContact O-N 3.31Å; V320-V324 PolarHBondContact O-N 2.96Å; V320-V324 VanDerWaalsContact O-N 3.13Å; V320-I336 HydrophobicContact CB-CD1 4.2Å; V320-I336 HydrophobicContact CG1-CD1 4.17Å; V320-I336 HydrophobicContact CG2-CD1 3.73Å |
| 321 | K | 87.1 | Confident | 85.3 | Confident | 110 Ų | 110 | 63.5 Ų | 63.5 | 48% | 0.478 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63 | -42 | 175.2 | -74.7 | 173.5 | -179.5 | 164.2 | 0 | 111.3 | E317 Q318 V323 V324 S325 | E317-K321 WeakPolarHBondContact O-CG 3.48Å; E317-K321 PolarHBondContact O-N 3.07Å; E317-K321 WeakPolarHBondContact OE1-CE 3.26Å; E317-K321 IonicContact OE1-NZ 2.69Å; E317-K321 PolarHBondContact OE1-NZ 2.8Å; Q318-K321 PolarHBondContact O-N 2.7Å; K321-V323 PolarHBondContact O-N 3.22Å; K321-V324 PolarHBondContact O-N 2.91Å; K321-S325 PolarHBondContact O-N 3.49Å; K321-S325 PolarHBondContact O-OG 3.24Å |
| 322 | A | 84.4 | Confident | 85 | Confident | 27 Ų | 27 | 63.7 Ų | 63.7 | 22% | 0.223 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.9 | -49.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | T203 Q318 D319 V320 V324 S325 T326 | T203-A322 HydrophobicContact CG2-CB 4.44Å; Q318-A322 WeakPolarHBondContact O-CB 3.5Å; Q318-A322 PolarHBondContact O-N 3.39Å; D319-A322 WeakPolarHBondContact O-CB 3.11Å; D319-A322 PolarHBondContact O-N 3.28Å; V320-A322 VanDerWaalsContact C-N 3.35Å; A322-V324 VanDerWaalsContact C-N 3.32Å; A322-V324 PolarHBondContact O-N 3.17Å; A322-S325 WeakPolarHBondContact CA-OG 3.46Å; A322-S325 PolarHBondContact O-N 2.81Å; A322-S325 PolarHBondContact O-OG 2.78Å; A322-T326 PolarHBondContact O-N 3.17Å; A322-T326 PolarHBondContact O-OG1 2.92Å |
| 323 | V | 84.3 | Confident | 84.7 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.3 | -42 | 177.2 | 168.9 | 0 | 0 | 0 | 0 | 112.6 | D319 V320 K321 S325 C327 Y332 Q335 I336 L339 | D319-V323 VanDerWaalsContact O-CG2 3.3Å; D319-V323 WeakPolarHBondContact O-CG2 3.44Å; D319-V323 PolarHBondContact O-N 3.36Å; V320-V323 PolarHBondContact O-N 3.31Å; K321-V323 PolarHBondContact O-N 3.22Å; V323-S325 VanDerWaalsContact C-N 3.33Å; V323-C327 HydrophobicContact CG1-CB 4.34Å; V323-C327 WeakPolarHBondContact O-CB 3.38Å; V323-C327 PolarHBondContact O-N 3.13Å; V323-C327 PolarHBondContact O-SG 3.16Å; V323-Y332 HydrophobicContact CG1-CD1 4Å; V323-Y332 HydrophobicContact CG1-CG 4.48Å; V323-Q335 HydrophobicContact CB-CG 4.5Å; V323-Q335 HydrophobicContact CG1-CB 3.97Å; V323-Q335 HydrophobicContact CG1-CG 4.13Å; V323-Q335 HydrophobicContact CG2-CB 4.22Å; V323-Q335 HydrophobicContact CG2-CG 3.57Å; V323-I336 HydrophobicContact CG2-CD1 4.35Å; V323-L339 HydrophobicContact CG2-CD1 3.64Å |
| 324 | V | 87.4 | Confident | 84.4 | Confident | 44 Ų | 44 | 59 Ų | 59 | 27% | 0.267 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.9 | -33.6 | 178 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | V300 L303 V320 K321 A322 Y332 | V300-V324 HydrophobicContact CG2-CG2 4.19Å; L303-V324 HydrophobicContact CD1-CG2 3.54Å; V320-V324 PolarHBondContact O-N 2.96Å; V320-V324 VanDerWaalsContact O-N 3.13Å; K321-V324 PolarHBondContact O-N 2.91Å; A322-V324 VanDerWaalsContact C-N 3.32Å; A322-V324 PolarHBondContact O-N 3.17Å; V324-Y332 HydrophobicContact CG1-CE2 4.35Å; V324-Y332 HydrophobicContact CG2-CD2 4.36Å; V324-Y332 HydrophobicContact CG2-CE2 4.13Å; V324-Y332 PolarHBondContact O-OH 3.29Å |
| 325 | S | 84.4 | Confident | 84 | Confident | 96 Ų | 96 | 54.4 Ų | 54.4 | 67% | 0.671 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -78.9 | -26.7 | 179.4 | 68.9 | 0 | 0 | 0 | 0 | 114 | K321 A322 V323 | K321-S325 PolarHBondContact O-N 3.49Å; K321-S325 PolarHBondContact O-OG 3.24Å; A322-S325 WeakPolarHBondContact CA-OG 3.46Å; A322-S325 PolarHBondContact O-N 2.81Å; A322-S325 PolarHBondContact O-OG 2.78Å; V323-S325 VanDerWaalsContact C-N 3.33Å |
| 326 | T | 80.1 | Confident | 83.9 | Confident | 82 Ų | 82 | 54 Ų | 54 | 50% | 0.503 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -108.8 | -24.1 | -172.7 | 58.5 | 0 | 0 | 0 | 0 | 114.1 | C205 A322 | C205-T326 PolarHBondContact SG-O 3.3Å; C205-T326 PolarHBondContact SG-OG1 2.97Å; A322-T326 PolarHBondContact O-N 3.17Å; A322-T326 PolarHBondContact O-OG1 2.92Å |
| 327 | C | 80.6 | Confident | 83.8 | Confident | 11 Ų | 11 | 48.6 Ų | 48.6 | 7% | 0.074 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -102.3 | 161.4 | -172.9 | -55.1 | 0 | 0 | 0 | 0 | 112.6 | C205 V323 Q331 Y332 | C205-C327 HydrophobicContact CB-CB 3.72Å; C205-C327 WeakPolarHBondContact CB-SG 3.17Å; C205-C327 WeakPolarHBondContact SG-CA 3.15Å; C205-C327 WeakPolarHBondContact SG-CB 3.25Å; C205-C327 PolarHBondContact SG-N 2.8Å; C205-C327 CovalentContact SG-SG 2.02Å; C205-C327 PolarHBondContact SG-SG 2.65Å; V323-C327 HydrophobicContact CG1-CB 4.34Å; V323-C327 WeakPolarHBondContact O-CB 3.38Å; V323-C327 PolarHBondContact O-N 3.13Å; V323-C327 PolarHBondContact O-SG 3.16Å; C327-Q331 HydrophobicContact CB-CB 4.14Å; C327-Y332 HydrophobicContact CB-CD1 3.97Å; C327-Y332 HydrophobicContact CB-CE1 4.01Å; C327-Y332 WeakPolarHBondContact O-CE1 3.44Å |
| 328 | L | 82.2 | Confident | 83.5 | Confident | 86 Ų | 86 | 45.3 Ų | 45.3 | 45% | 0.45 | 24% | 0.236 | S | C | . | . | trans | -74.5 | 147.5 | 166.9 | -64.4 | 172.2 | 0 | 0 | 0 | 109.6 | R330 Q331 Y332 | L328-R330 HydrophobicContact CB-CG 4.07Å; L328-R330 PolarHBondContact O-N 3.35Å; L328-Q331 HydrophobicContact CB-CG 4.45Å; L328-Q331 WeakPolarHBondContact O-CB 3.13Å; L328-Q331 PolarHBondContact O-N 2.78Å; L328-Y332 WeakPolarHBondContact O-CD1 3.26Å; L328-Y332 WeakPolarHBondContact O-CE1 3.44Å | ||
| 329 | P | 80.7 | Confident | 83.4 | Confident | 48 Ų | 48 | 38.8 Ų | 38.8 | 31% | 0.312 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -52.2 | -32.2 | -179.8 | -29.8 | 34.5 | 0 | 0 | 0 | 114.8 | K296 Q331 Y332 | K296-P329 WeakPolarHBondContact O-CB 3.28Å; P329-Q331 PolarHBondContact O-N 3.21Å; P329-Y332 HydrophobicContact CB-CE2 4.1Å; P329-Y332 HydrophobicContact CG-CE2 4.4Å; P329-Y332 PolarHBondContact O-N 3.48Å |
| 330 | R | 76.1 | Confident | 83.6 | Confident | 153 Ų | 153 | 37.1 Ų | 37.1 | 58% | 0.577 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -66.8 | -13.7 | 176.5 | 69.2 | -176.5 | 177.7 | -171.9 | -1.9 | 114.7 | A294 L328 | A294-R330 VanDerWaalsContact CB-CA 3.43Å; A294-R330 HydrophobicContact CB-CB 3.95Å; A294-R330 WeakPolarHBondContact CB-O 3.49Å; L328-R330 HydrophobicContact CB-CG 4.07Å; L328-R330 PolarHBondContact O-N 3.35Å |
| 331 | Q | 79.4 | Confident | 83.2 | Confident | 18 Ų | 18 | 37.1 Ų | 37.1 | 8% | 0.084 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -103.1 | -16.1 | -176.5 | -65.8 | 164.3 | -22.4 | 0 | 0 | 112.8 | N207 C327 L328 P329 L333 L334 Q335 | N207-Q331 PolarHBondContact OD1-NE2 2.85Å; C327-Q331 HydrophobicContact CB-CB 4.14Å; L328-Q331 HydrophobicContact CB-CG 4.45Å; L328-Q331 WeakPolarHBondContact O-CB 3.13Å; L328-Q331 PolarHBondContact O-N 2.78Å; P329-Q331 PolarHBondContact O-N 3.21Å; Q331-L333 PolarHBondContact O-N 3.22Å; Q331-L334 PolarHBondContact O-N 3.48Å; Q331-Q335 PolarHBondContact O-N 3.16Å |
| 332 | Y | 85.5 | Confident | 82.7 | Confident | 22 Ų | 22 | 33.9 Ų | 33.9 | 9% | 0.086 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -52.4 | -53.1 | -169.3 | -64.8 | -10.7 | 0 | 0 | 0 | 113.2 | L298 L303 V323 V324 C327 L328 P329 L334 Q335 I336 | L298-Y332 HydrophobicContact CB-CD2 4.24Å; L303-Y332 HydrophobicContact CD1-CD2 4.07Å; L303-Y332 HydrophobicContact CD1-CG 4.24Å; V323-Y332 HydrophobicContact CG1-CD1 4Å; V323-Y332 HydrophobicContact CG1-CG 4.48Å; V324-Y332 HydrophobicContact CG1-CE2 4.35Å; V324-Y332 HydrophobicContact CG2-CD2 4.36Å; V324-Y332 HydrophobicContact CG2-CE2 4.13Å; V324-Y332 PolarHBondContact O-OH 3.29Å; C327-Y332 HydrophobicContact CB-CD1 3.97Å; C327-Y332 HydrophobicContact CB-CE1 4.01Å; C327-Y332 WeakPolarHBondContact O-CE1 3.44Å; L328-Y332 WeakPolarHBondContact O-CD1 3.26Å; L328-Y332 WeakPolarHBondContact O-CE1 3.44Å; P329-Y332 HydrophobicContact CB-CE2 4.1Å; P329-Y332 HydrophobicContact CG-CE2 4.4Å; P329-Y332 PolarHBondContact O-N 3.48Å; Y332-L334 VanDerWaalsContact C-N 3.33Å; Y332-L334 PolarHBondContact O-N 2.84Å; Y332-Q335 PolarHBondContact O-N 3.06Å; Y332-I336 WeakPolarHBondContact O-CB 3.42Å; Y332-I336 VanDerWaalsContact O-CG1 3.24Å; Y332-I336 WeakPolarHBondContact O-CG1 3.31Å; Y332-I336 PolarHBondContact O-N 3.49Å |
| 333 | L | 84.4 | Confident | 82.4 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63 | -38.6 | -179 | -72.1 | 174.6 | 0 | 0 | 0 | 112.9 | L298 L303 V306 Q331 L337 L369 I376 | L298-L333 HydrophobicContact CD1-CD1 3.76Å; L298-L333 HydrophobicContact CD1-CD2 4.02Å; L298-L333 HydrophobicContact CD1-CG 3.51Å; L303-L333 HydrophobicContact CD2-CD2 3.97Å; V306-L333 HydrophobicContact CG1-CD2 4.46Å; V306-L333 HydrophobicContact CG2-CD2 3.92Å; Q331-L333 PolarHBondContact O-N 3.22Å; L333-L337 WeakPolarHBondContact O-CB 3.47Å; L333-L337 VanDerWaalsContact O-CG 3.22Å; L333-L337 WeakPolarHBondContact O-CG 3.37Å; L333-L337 PolarHBondContact O-N 3.18Å; L333-L369 HydrophobicContact CD2-CD1 4.24Å; L333-I376 HydrophobicContact CB-CD1 4.43Å |
| 334 | L | 81.8 | Confident | 82.1 | Confident | 39 Ų | 39 | 34.3 Ų | 34.3 | 20% | 0.204 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.4 | -41.1 | -178.9 | -60.3 | 178.5 | 0 | 0 | 0 | 110.6 | L211 V289 Q331 Y332 L337 H338 I376 | L211-L334 HydrophobicContact CD1-CB 4.17Å; L211-L334 HydrophobicContact CD1-CD2 3.8Å; V289-L334 HydrophobicContact CG1-CD1 3.93Å; V289-L334 HydrophobicContact CG1-CD2 3.45Å; V289-L334 VanDerWaalsContact CG1-CD2 3.45Å; V289-L334 HydrophobicContact CG1-CG 4.37Å; Q331-L334 PolarHBondContact O-N 3.48Å; Y332-L334 VanDerWaalsContact C-N 3.33Å; Y332-L334 PolarHBondContact O-N 2.84Å; L334-L337 PolarHBondContact O-N 3.46Å; L334-H338 WeakPolarHBondContact O-CB 3.5Å; L334-H338 PolarHBondContact O-N 3.29Å; L334-I376 HydrophobicContact CD2-CD1 4.06Å |
| 335 | Q | 83.6 | Confident | 81.3 | Confident | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.3 | -41.1 | 177 | -167.3 | 64.9 | 23.8 | 0 | 0 | 111.7 | H202 L204 V323 Q331 Y332 L337 H338 L339 | H202-Q335 PolarHBondContact O-NE2 2.95Å; L204-Q335 PolarHBondContact O-NE2 2.98Å; V323-Q335 HydrophobicContact CB-CG 4.5Å; V323-Q335 HydrophobicContact CG1-CB 3.97Å; V323-Q335 HydrophobicContact CG1-CG 4.13Å; V323-Q335 HydrophobicContact CG2-CB 4.22Å; V323-Q335 HydrophobicContact CG2-CG 3.57Å; Q331-Q335 PolarHBondContact O-N 3.16Å; Y332-Q335 PolarHBondContact O-N 3.06Å; Q335-L337 PolarHBondContact O-N 3.08Å; Q335-H338 WeakPolarHBondContact O-CB 3.28Å; Q335-H338 PolarHBondContact O-N 3.42Å; Q335-L339 WeakPolarHBondContact O-CG 3.21Å; Q335-L339 PolarHBondContact O-N 3.36Å |
| 336 | I | 87.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61 | -45.4 | 174.6 | -69.8 | -64.5 | 0 | 0 | 0 | 111.5 | L303 T307 V315 V320 V323 Y332 H338 L339 W340 | L303-I336 HydrophobicContact CD2-CG1 4.29Å; T307-I336 WeakPolarHBondContact OG1-CG2 3.31Å; V315-I336 HydrophobicContact CG1-CD1 4.33Å; V320-I336 HydrophobicContact CB-CD1 4.2Å; V320-I336 HydrophobicContact CG1-CD1 4.17Å; V320-I336 HydrophobicContact CG2-CD1 3.73Å; V323-I336 HydrophobicContact CG2-CD1 4.35Å; Y332-I336 WeakPolarHBondContact O-CB 3.42Å; Y332-I336 VanDerWaalsContact O-CG1 3.24Å; Y332-I336 WeakPolarHBondContact O-CG1 3.31Å; Y332-I336 PolarHBondContact O-N 3.49Å; I336-H338 VanDerWaalsContact C-N 3.26Å; I336-H338 PolarHBondContact O-N 2.84Å; I336-L339 PolarHBondContact O-N 3.37Å; I336-W340 WeakPolarHBondContact O-CB 3.23Å; I336-W340 PolarHBondContact O-N 3.06Å |
| 337 | L | 86.2 | Confident | 80.6 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.1 | -34.1 | 176.5 | -71 | 173 | 0 | 0 | 0 | 112 | L211 L310 L333 L334 Q335 K341 L353 L373 I376 | L211-L337 HydrophobicContact CD1-CB 3.77Å; L211-L337 HydrophobicContact CD1-CD1 4.18Å; L211-L337 HydrophobicContact CD2-CB 3.88Å; L211-L337 HydrophobicContact CG-CB 4.49Å; L310-L337 HydrophobicContact CD1-CD2 3.89Å; L310-L337 HydrophobicContact CD2-CD2 4.16Å; L333-L337 WeakPolarHBondContact O-CB 3.47Å; L333-L337 VanDerWaalsContact O-CG 3.22Å; L333-L337 WeakPolarHBondContact O-CG 3.37Å; L333-L337 PolarHBondContact O-N 3.18Å; L334-L337 PolarHBondContact O-N 3.46Å; Q335-L337 PolarHBondContact O-N 3.08Å; L337-K341 WeakPolarHBondContact O-CB 3.48Å; L337-K341 PolarHBondContact O-N 2.82Å; L337-L353 HydrophobicContact CD1-CD2 4.02Å; L337-L353 HydrophobicContact CD2-CD2 3.6Å; L337-L353 HydrophobicContact CG-CD2 4.49Å; L337-L373 HydrophobicContact CD1-CD1 4.2Å; L337-L373 HydrophobicContact CD2-CD1 4.49Å; L337-I376 HydrophobicContact CD1-CG2 4Å |
| 338 | H | 81.8 | Confident | 80.5 | Confident | 22 Ų | 22 | 37.9 Ų | 37.9 | 10% | 0.102 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.4 | -50.9 | 176.5 | 176.7 | 71.7 | 0 | 0 | 0 | 110.8 | T210 L211 L334 Q335 I336 W340 K341 S342 | T210-H338 PolarHBondContact OG1-ND1 3.22Å; T210-H338 VanDerWaalsContact OG1-ND1 3.12Å; L211-H338 HydrophobicContact CD2-CB 4.25Å; L334-H338 WeakPolarHBondContact O-CB 3.5Å; L334-H338 PolarHBondContact O-N 3.29Å; Q335-H338 WeakPolarHBondContact O-CB 3.28Å; Q335-H338 PolarHBondContact O-N 3.42Å; I336-H338 VanDerWaalsContact C-N 3.26Å; I336-H338 PolarHBondContact O-N 2.84Å; H338-W340 VanDerWaalsContact C-N 3.28Å; H338-W340 PolarHBondContact O-N 3.47Å; H338-K341 PolarHBondContact O-N 2.93Å; H338-S342 PolarHBondContact O-N 3.49Å; H338-S342 PolarHBondContact O-OG 2.91Å; H338-S342 VanDerWaalsContact O-OG 3.07Å |
| 339 | L | 81.9 | Confident | 80.5 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56 | -44.5 | 175.8 | -70.3 | 174.1 | 0 | 0 | 0 | 111.6 | V315 D319 V323 Q335 I336 S342 A343 | V315-L339 HydrophobicContact CG1-CB 4.09Å; V315-L339 HydrophobicContact CG1-CD1 4Å; V315-L339 HydrophobicContact CG2-CB 3.92Å; D319-L339 HydrophobicContact CB-CD1 4.16Å; V323-L339 HydrophobicContact CG2-CD1 3.64Å; Q335-L339 WeakPolarHBondContact O-CG 3.21Å; Q335-L339 PolarHBondContact O-N 3.36Å; I336-L339 PolarHBondContact O-N 3.37Å; L339-S342 PolarHBondContact O-N 3.37Å; L339-A343 PolarHBondContact O-N 3.19Å; L339-A343 VanDerWaalsContact O-N 3.12Å |
| 340 | W | 87.4 | Confident | 80.6 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.7 | -47.2 | 174.6 | 174.6 | 78.5 | 0 | 0 | 0 | 111.6 | L310 P311 V315 I336 H338 S342 A343 N344 L347 L349 | L310-W340 HydrophobicContact CB-CD2 4.31Å; L310-W340 HydrophobicContact CB-CG 4.21Å; L310-W340 HydrophobicContact CD1-CB 4.07Å; L310-W340 HydrophobicContact CD1-CD2 4.15Å; L310-W340 HydrophobicContact CD1-CG 3.77Å; L310-W340 HydrophobicContact CD2-CD2 4.32Å; L310-W340 HydrophobicContact CG-CG 4.46Å; P311-W340 HydrophobicContact CG-CZ2 3.94Å; P311-W340 WeakPolarHBondContact O-CZ2 3.02Å; P311-W340 PolarHBondContact O-NE1 3.45Å; V315-W340 HydrophobicContact CG2-CB 3.76Å; I336-W340 WeakPolarHBondContact O-CB 3.23Å; I336-W340 PolarHBondContact O-N 3.06Å; H338-W340 VanDerWaalsContact C-N 3.28Å; H338-W340 PolarHBondContact O-N 3.47Å; W340-S342 VanDerWaalsContact C-N 3.32Å; W340-S342 PolarHBondContact O-N 2.73Å; W340-A343 PolarHBondContact O-N 3.06Å; W340-N344 VanDerWaalsContact CD1-ND2 3.31Å; W340-N344 HydrophobicContact CZ2-CB 4.13Å; W340-N344 PolarHBondContact NE1-ND2 3.27Å; W340-N344 VanDerWaalsContact NE1-ND2 3.19Å; W340-N344 WeakPolarHBondContact O-CB 3.44Å; W340-N344 PolarHBondContact O-N 2.84Å; W340-N344 PolarHBondContact O-ND2 3.09Å; W340-L347 HydrophobicContact CH2-CB 4.1Å; W340-L347 HydrophobicContact CZ2-CB 4.33Å; W340-L347 HydrophobicContact CZ2-CD1 4.04Å; W340-L349 HydrophobicContact CE3-CD1 4.03Å; W340-L349 HydrophobicContact CZ3-CD1 3.65Å |
| 341 | K | 81.5 | Confident | 81.1 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.9 | -35.6 | -178.7 | -179.3 | 56.6 | -179.4 | 61.6 | 0 | 112.1 | E214 L337 H338 N344 Y345 L347 | E214-K341 HydrophobicContact CB-CG 4.1Å; E214-K341 HydrophobicContact CG-CG 3.96Å; E214-K341 WeakPolarHBondContact OE2-CE 3.28Å; E214-K341 IonicContact OE2-NZ 3.61Å; E214-K341 PolarHBondContact OE2-NZ 3.43Å; L337-K341 WeakPolarHBondContact O-CB 3.48Å; L337-K341 PolarHBondContact O-N 2.82Å; H338-K341 PolarHBondContact O-N 2.93Å; K341-N344 CarbonylContact O-C 3.57Å; K341-N344 PolarHBondContact O-N 3.01Å; K341-Y345 PolarHBondContact NZ-O 3.07Å; K341-Y345 VanDerWaalsContact NZ-O 3.07Å; K341-Y345 WeakPolarHBondContact O-CA 3.48Å; K341-Y345 PolarHBondContact O-N 2.91Å; K341-Y345 VanDerWaalsContact O-N 3.13Å; K341-L347 WeakPolarHBondContact CE-O 3.02Å |
| 342 | S | 75.8 | Confident | 81.5 | Confident | 42 Ų | 42 | 32.5 Ų | 32.5 | 29% | 0.294 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 175 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | H338 L339 W340 N344 | H338-S342 PolarHBondContact O-N 3.49Å; H338-S342 PolarHBondContact O-OG 2.91Å; H338-S342 VanDerWaalsContact O-OG 3.07Å; L339-S342 PolarHBondContact O-N 3.37Å; W340-S342 VanDerWaalsContact C-N 3.32Å; W340-S342 PolarHBondContact O-N 2.73Å; S342-N344 VanDerWaalsContact C-N 3.28Å; S342-N344 PolarHBondContact O-N 3.19Å |
| 343 | A | 77.8 | Confident | 81.8 | Confident | 33 Ų | 33 | 31.4 Ų | 31.4 | 27% | 0.273 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -73.9 | -17.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V313 L339 W340 | V313-A343 HydrophobicContact CB-CB 4.3Å; V313-A343 HydrophobicContact CG1-CB 4.26Å; L339-A343 PolarHBondContact O-N 3.19Å; L339-A343 VanDerWaalsContact O-N 3.12Å; W340-A343 PolarHBondContact O-N 3.06Å |
| 344 | N | 78.2 | Confident | 82.1 | Confident | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.027 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | 50.9 | -175.7 | -63.4 | -86.8 | 0 | 0 | 0 | 111.2 | G312 V313 W340 K341 S342 N346 L347 | G312-N344 WeakPolarHBondContact CA-OD1 3.44Å; V313-N344 PolarHBondContact N-OD1 3.4Å; V313-N344 PolarHBondContact O-ND2 2.92Å; W340-N344 VanDerWaalsContact CD1-ND2 3.31Å; W340-N344 HydrophobicContact CZ2-CB 4.13Å; W340-N344 PolarHBondContact NE1-ND2 3.27Å; W340-N344 VanDerWaalsContact NE1-ND2 3.19Å; W340-N344 WeakPolarHBondContact O-CB 3.44Å; W340-N344 PolarHBondContact O-N 2.84Å; W340-N344 PolarHBondContact O-ND2 3.09Å; K341-N344 CarbonylContact O-C 3.57Å; K341-N344 PolarHBondContact O-N 3.01Å; S342-N344 VanDerWaalsContact C-N 3.28Å; S342-N344 PolarHBondContact O-N 3.19Å; N344-N346 PolarHBondContact O-N 2.97Å; N344-N346 VanDerWaalsContact O-N 3.09Å; N344-L347 HydrophobicContact CB-CB 4.14Å; N344-L347 HydrophobicContact CB-CD1 3.87Å; N344-L347 HydrophobicContact CB-CG 4.02Å; N344-L347 PolarHBondContact O-N 3.28Å |
| 345 | Y | 71.4 | Confident | 82.6 | Confident | 101 Ų | 101 | 40 Ų | 40 | 40% | 0.396 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -28.8 | -171.4 | 63.6 | -91.9 | 0 | 0 | 0 | 113.7 | Q218 K341 | Q218-Y345 PolarHBondContact NE2-O 2.79Å; Q218-Y345 PolarHBondContact OE1-O 3.48Å; K341-Y345 PolarHBondContact NZ-O 3.07Å; K341-Y345 VanDerWaalsContact NZ-O 3.07Å; K341-Y345 WeakPolarHBondContact O-CA 3.48Å; K341-Y345 PolarHBondContact O-N 2.91Å; K341-Y345 VanDerWaalsContact O-N 3.13Å |
| 346 | N | 70.2 | Confident | 83.2 | Confident | 98 Ų | 98 | 39.7 Ų | 39.7 | 52% | 0.524 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -11.8 | 179 | 63.3 | -25.7 | 0 | 0 | 0 | 114.1 | N344 | N344-N346 PolarHBondContact O-N 2.97Å; N344-N346 VanDerWaalsContact O-N 3.09Å |
| 347 | L | 77.8 | Confident | 83.5 | Confident | 55 Ų | 55 | 40 Ų | 40 | 29% | 0.288 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -91.7 | 141.7 | -179.5 | -59.9 | -172.8 | 0 | 0 | 0 | 111.8 | P311 W340 K341 N344 L349 | P311-L347 HydrophobicContact CG-CD1 4.46Å; W340-L347 HydrophobicContact CH2-CB 4.1Å; W340-L347 HydrophobicContact CZ2-CB 4.33Å; W340-L347 HydrophobicContact CZ2-CD1 4.04Å; K341-L347 WeakPolarHBondContact CE-O 3.02Å; N344-L347 HydrophobicContact CB-CB 4.14Å; N344-L347 HydrophobicContact CB-CD1 3.87Å; N344-L347 HydrophobicContact CB-CG 4.02Å; N344-L347 PolarHBondContact O-N 3.28Å; L347-L349 PolarHBondContact O-N 3.31Å |
| 348 | D | 79.4 | Confident | 84 | Confident | 54 Ų | 54 | 48.7 Ų | 48.7 | 29% | 0.289 | 24% | 0.235 | S | C | . | . | trans | -75.4 | 122.6 | 175.8 | -179.6 | -72.4 | 0 | 0 | 0 | 110.9 | A350 K351 G352 | D348-A350 PolarHBondContact O-N 2.81Å; D348-A350 WeakPolarHBondContact OD1-CA 3.31Å; D348-A350 WeakPolarHBondContact OD1-CB 3.45Å; D348-A350 PolarHBondContact OD1-N 3.3Å; D348-K351 HydrophobicContact CB-CB 4.08Å; D348-K351 HydrophobicContact CB-CD 3.98Å; D348-K351 HydrophobicContact CB-CG 4.12Å; D348-K351 PolarHBondContact O-N 3.46Å; D348-K351 WeakPolarHBondContact OD1-CG 3.47Å; D348-K351 PolarHBondContact OD1-N 3.42Å; D348-G352 PolarHBondContact O-N 3.18Å | ||
| 349 | L | 81.9 | Confident | 84.7 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64 | -38.8 | -176.9 | 179.4 | 61.2 | 0 | 0 | 0 | 112.6 | L211 W340 L347 G352 L353 I380 | L211-L349 HydrophobicContact CB-CD2 4.19Å; L211-L349 HydrophobicContact CD2-CD2 3.95Å; W340-L349 HydrophobicContact CE3-CD1 4.03Å; W340-L349 HydrophobicContact CZ3-CD1 3.65Å; L347-L349 PolarHBondContact O-N 3.31Å; L349-G352 PolarHBondContact O-N 3Å; L349-L353 HydrophobicContact CD1-CD1 4.19Å; L349-L353 HydrophobicContact CD1-CG 4.21Å; L349-L353 HydrophobicContact CG-CD1 4.13Å; L349-L353 WeakPolarHBondContact O-CB 3.36Å; L349-L353 VanDerWaalsContact O-CG 3.27Å; L349-L353 WeakPolarHBondContact O-CG 3.45Å; L349-L353 PolarHBondContact O-N 3.38Å; L349-I380 HydrophobicContact CD2-CD1 3.82Å; L349-I380 HydrophobicContact CD2-CG2 4.47Å; L349-I380 HydrophobicContact CG-CD1 4.25Å; L349-I380 HydrophobicContact CG-CG2 4.47Å |
| 350 | A | 83.8 | Confident | 85.3 | Confident | 29 Ų | 29 | 49.2 Ų | 49.2 | 24% | 0.24 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.9 | -41.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | D348 T354 I380 | D348-A350 PolarHBondContact O-N 2.81Å; D348-A350 WeakPolarHBondContact OD1-CA 3.31Å; D348-A350 WeakPolarHBondContact OD1-CB 3.45Å; D348-A350 PolarHBondContact OD1-N 3.3Å; A350-T354 WeakPolarHBondContact O-CB 3.45Å; A350-T354 PolarHBondContact O-N 2.97Å; A350-T354 PolarHBondContact O-OG1 3.23Å; A350-I380 HydrophobicContact CB-CG2 4.08Å |
| 351 | K | 85.3 | Confident | 85.6 | Confident | 156 Ų | 156 | 55.6 Ų | 55.6 | 68% | 0.678 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -66.5 | -41.9 | 173.3 | -66.9 | 179.4 | -175.3 | 171.4 | 0 | 111 | D348 T354 R355 | D348-K351 HydrophobicContact CB-CB 4.08Å; D348-K351 HydrophobicContact CB-CD 3.98Å; D348-K351 HydrophobicContact CB-CG 4.12Å; D348-K351 PolarHBondContact O-N 3.46Å; D348-K351 WeakPolarHBondContact OD1-CG 3.47Å; D348-K351 PolarHBondContact OD1-N 3.42Å; K351-T354 PolarHBondContact O-N 3.2Å; K351-R355 PolarHBondContact O-N 2.76Å |
| 352 | G | 89.2 | Confident | 86.3 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.7 | -49.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D348 L349 T354 R355 S356 | D348-G352 PolarHBondContact O-N 3.18Å; L349-G352 PolarHBondContact O-N 3Å; G352-T354 PolarHBondContact O-N 2.62Å; G352-R355 PolarHBondContact O-N 3.47Å; G352-S356 WeakPolarHBondContact O-CB 3.17Å; G352-S356 PolarHBondContact O-N 3.37Å |
| 353 | L | 90.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 175.4 | -73.7 | 171.5 | 0 | 0 | 0 | 112.8 | L337 L349 R355 S356 L357 L373 I376 I380 | L337-L353 HydrophobicContact CD1-CD2 4.02Å; L337-L353 HydrophobicContact CD2-CD2 3.6Å; L337-L353 HydrophobicContact CG-CD2 4.49Å; L349-L353 HydrophobicContact CD1-CD1 4.19Å; L349-L353 HydrophobicContact CD1-CG 4.21Å; L349-L353 HydrophobicContact CG-CD1 4.13Å; L349-L353 WeakPolarHBondContact O-CB 3.36Å; L349-L353 VanDerWaalsContact O-CG 3.27Å; L349-L353 WeakPolarHBondContact O-CG 3.45Å; L349-L353 PolarHBondContact O-N 3.38Å; L353-R355 VanDerWaalsContact C-N 3.34Å; L353-R355 PolarHBondContact O-N 3.49Å; L353-S356 PolarHBondContact O-N 2.69Å; L353-L357 WeakPolarHBondContact O-CB 3.21Å; L353-L357 WeakPolarHBondContact O-CG 3.45Å; L353-L357 PolarHBondContact O-N 3.14Å; L353-L373 HydrophobicContact CD2-CD1 3.58Å; L353-L373 HydrophobicContact CD2-CD2 4.49Å; L353-L373 HydrophobicContact CD2-CG 4.05Å; L353-I376 HydrophobicContact CD1-CG2 4.31Å; L353-I380 HydrophobicContact CD1-CD1 3.54Å |
| 354 | T | 91.4 | Very high | 87.7 | Confident | 74 Ų | 74 | 70.3 Ų | 70.3 | 45% | 0.454 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 177.1 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | A350 K351 G352 R358 | A350-T354 WeakPolarHBondContact O-CB 3.45Å; A350-T354 PolarHBondContact O-N 2.97Å; A350-T354 PolarHBondContact O-OG1 3.23Å; K351-T354 PolarHBondContact O-N 3.2Å; G352-T354 PolarHBondContact O-N 2.62Å; T354-R358 PolarHBondContact O-N 3.43Å |
| 355 | R | 93.6 | Very high | 88.3 | Confident | 150 Ų | 150 | 70.7 Ų | 70.7 | 57% | 0.566 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.7 | -47.4 | 175.1 | -179.2 | 173.2 | 174 | 175.6 | 0.9 | 111.4 | K351 G352 L353 L357 R358 V359 | K351-R355 PolarHBondContact O-N 2.76Å; G352-R355 PolarHBondContact O-N 3.47Å; L353-R355 VanDerWaalsContact C-N 3.34Å; L353-R355 PolarHBondContact O-N 3.49Å; R355-L357 VanDerWaalsContact C-N 3.31Å; R355-L357 PolarHBondContact O-N 2.81Å; R355-R358 WeakPolarHBondContact O-CA 3.5Å; R355-R358 WeakPolarHBondContact O-CB 3.12Å; R355-R358 PolarHBondContact O-N 3.05Å; R355-V359 PolarHBondContact O-N 3.4Å |
| 356 | S | 94.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.9 | -44.1 | 176.7 | 161.4 | 0 | 0 | 0 | 0 | 112 | S309 G352 L353 R358 V359 L360 L373 | S309-S356 VanDerWaalsContact O-CA 3.32Å; S309-S356 WeakPolarHBondContact O-CA 3.08Å; S309-S356 WeakPolarHBondContact OG-CB 3.12Å; S309-S356 PolarHBondContact OG-OG 2.72Å; G352-S356 WeakPolarHBondContact O-CB 3.17Å; G352-S356 PolarHBondContact O-N 3.37Å; L353-S356 PolarHBondContact O-N 2.69Å; S356-R358 PolarHBondContact O-N 2.81Å; S356-V359 PolarHBondContact O-N 3.01Å; S356-L360 WeakPolarHBondContact O-CB 3.39Å; S356-L360 WeakPolarHBondContact O-CG 2.87Å; S356-L360 PolarHBondContact O-N 3.32Å; S356-L373 VanDerWaalsContact OG-CD2 3.23Å; S356-L373 WeakPolarHBondContact OG-CD2 3.46Å |
| 357 | L | 95.3 | Very high | 90.2 | Very high | 8 Ų | 8 | 72.9 Ų | 72.9 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.8 | -29.1 | 174.9 | -77.5 | 168.7 | 0 | 0 | 0 | 114 | L353 R355 R361 V370 L373 K374 | L353-L357 WeakPolarHBondContact O-CB 3.21Å; L353-L357 WeakPolarHBondContact O-CG 3.45Å; L353-L357 PolarHBondContact O-N 3.14Å; R355-L357 VanDerWaalsContact C-N 3.31Å; R355-L357 PolarHBondContact O-N 2.81Å; L357-R361 WeakPolarHBondContact O-CD 3.37Å; L357-R361 VanDerWaalsContact O-CG 3.24Å; L357-R361 WeakPolarHBondContact O-CG 2.97Å; L357-R361 PolarHBondContact O-N 2.97Å; L357-R361 PolarHBondContact O-NE 3.22Å; L357-V370 HydrophobicContact CD2-CG1 4.1Å; L357-L373 HydrophobicContact CD2-CB 3.97Å; L357-L373 HydrophobicContact CD2-CD2 4.14Å; L357-L373 HydrophobicContact CD2-CG 4.22Å; L357-L373 HydrophobicContact CG-CD2 4.23Å; L357-L373 HydrophobicContact CG-CG 4.41Å; L357-K374 HydrophobicContact CD1-CB 4.3Å; L357-K374 HydrophobicContact CD2-CB 4.06Å |
| 358 | R | 95.6 | Very high | 90.6 | Very high | 181 Ų | 181 | 75 Ų | 75 | 68% | 0.683 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -73.3 | -46.6 | 174.3 | -168.2 | -176.4 | -63 | 168.5 | -0.6 | 110.4 | T354 R355 S356 R361 S362 | T354-R358 PolarHBondContact O-N 3.43Å; R355-R358 WeakPolarHBondContact O-CA 3.5Å; R355-R358 WeakPolarHBondContact O-CB 3.12Å; R355-R358 PolarHBondContact O-N 3.05Å; S356-R358 PolarHBondContact O-N 2.81Å; R358-R361 PolarHBondContact O-N 3.17Å; R358-S362 PolarHBondContact O-N 3.03Å; R358-S362 VanDerWaalsContact O-N 3.1Å; R358-S362 PolarHBondContact O-OG 3.02Å |
| 359 | V | 96.3 | Very high | 90.9 | Very high | 38 Ų | 38 | 72.4 Ų | 72.4 | 23% | 0.23 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 179.5 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | R355 S356 R361 S362 Q363 | R355-V359 PolarHBondContact O-N 3.4Å; S356-V359 PolarHBondContact O-N 3.01Å; V359-R361 VanDerWaalsContact C-N 3.26Å; V359-R361 PolarHBondContact O-N 3.5Å; V359-S362 WeakPolarHBondContact CA-OG 3.09Å; V359-S362 PolarHBondContact O-N 3.38Å; V359-S362 PolarHBondContact O-OG 3.4Å; V359-Q363 HydrophobicContact CG1-CG 4.38Å; V359-Q363 WeakPolarHBondContact O-CB 3.12Å; V359-Q363 WeakPolarHBondContact O-CG 3.5Å; V359-Q363 PolarHBondContact O-N 3.27Å |
| 360 | L | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.2 | -33.1 | 177.8 | -71.7 | 172.2 | 0 | 0 | 0 | 112.5 | K305 S356 E364 A365 V370 L373 | K305-L360 HydrophobicContact CB-CD2 4.29Å; S356-L360 WeakPolarHBondContact O-CB 3.39Å; S356-L360 WeakPolarHBondContact O-CG 2.87Å; S356-L360 PolarHBondContact O-N 3.32Å; L360-E364 PolarHBondContact O-N 3.31Å; L360-A365 HydrophobicContact CB-CB 3.95Å; L360-A365 HydrophobicContact CD2-CB 3.79Å; L360-A365 HydrophobicContact CG-CB 4.46Å; L360-A365 WeakPolarHBondContact O-CB 3.49Å; L360-A365 PolarHBondContact O-N 3.39Å; L360-V370 HydrophobicContact CB-CG2 4.1Å; L360-L373 HydrophobicContact CD1-CD2 3.55Å |
| 361 | R | 94.3 | Very high | 91.4 | Very high | 135 Ų | 135 | 78.6 Ų | 78.6 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -72.4 | -39.2 | 175.3 | -73.4 | 175.5 | -157.1 | 142.2 | 10.8 | 112.3 | L357 R358 V359 Q363 E364 V370 | L357-R361 WeakPolarHBondContact O-CD 3.37Å; L357-R361 VanDerWaalsContact O-CG 3.24Å; L357-R361 WeakPolarHBondContact O-CG 2.97Å; L357-R361 PolarHBondContact O-N 2.97Å; L357-R361 PolarHBondContact O-NE 3.22Å; R358-R361 PolarHBondContact O-N 3.17Å; V359-R361 VanDerWaalsContact C-N 3.26Å; V359-R361 PolarHBondContact O-N 3.5Å; R361-Q363 VanDerWaalsContact C-N 3.27Å; R361-Q363 PolarHBondContact O-N 3.17Å; R361-E364 PolarHBondContact O-N 3.28Å; R361-V370 HydrophobicContact CG-CG1 4.14Å |
| 362 | S | 94.3 | Very high | 91.2 | Very high | 92 Ų | 92 | 71.9 Ų | 71.9 | 64% | 0.643 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -70.1 | -24.4 | 176.6 | 52.5 | 0 | 0 | 0 | 0 | 113.2 | R358 V359 E364 | R358-S362 PolarHBondContact O-N 3.03Å; R358-S362 VanDerWaalsContact O-N 3.1Å; R358-S362 PolarHBondContact O-OG 3.02Å; V359-S362 WeakPolarHBondContact CA-OG 3.09Å; V359-S362 PolarHBondContact O-N 3.38Å; V359-S362 PolarHBondContact O-OG 3.4Å; S362-E364 VanDerWaalsContact C-N 3.34Å |
| 363 | Q | 93.3 | Very high | 91.1 | Very high | 113 Ų | 113 | 71.9 Ų | 71.9 | 53% | 0.528 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 14.7 | 177.5 | -67.8 | 177.9 | -16.6 | 0 | 0 | 113.1 | V359 R361 A365 | V359-Q363 HydrophobicContact CG1-CG 4.38Å; V359-Q363 WeakPolarHBondContact O-CB 3.12Å; V359-Q363 WeakPolarHBondContact O-CG 3.5Å; V359-Q363 PolarHBondContact O-N 3.27Å; R361-Q363 VanDerWaalsContact C-N 3.27Å; R361-Q363 PolarHBondContact O-N 3.17Å; Q363-A365 PolarHBondContact O-N 3.27Å; Q363-A365 VanDerWaalsContact O-N 3.07Å |
| 364 | E | 91 | Very high | 91 | Very high | 180 Ų | 180 | 75.9 Ų | 75.9 | 84% | 0.841 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 34.4 | 179.7 | -58.2 | -172.4 | 165.9 | 0 | 0 | 114.2 | L360 R361 S362 | L360-E364 PolarHBondContact O-N 3.31Å; R361-E364 PolarHBondContact O-N 3.28Å; S362-E364 VanDerWaalsContact C-N 3.34Å |
| 365 | A | 91 | Very high | 90.7 | Very high | 13 Ų | 13 | 77.6 Ų | 77.6 | 11% | 0.107 | 35% | 0.345 | C | S | . | . | trans | -61.8 | 153.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L360 Q363 R367 V370 | L360-A365 HydrophobicContact CB-CB 3.95Å; L360-A365 HydrophobicContact CD2-CB 3.79Å; L360-A365 HydrophobicContact CG-CB 4.46Å; L360-A365 WeakPolarHBondContact O-CB 3.49Å; L360-A365 PolarHBondContact O-N 3.39Å; Q363-A365 PolarHBondContact O-N 3.27Å; Q363-A365 VanDerWaalsContact O-N 3.07Å; A365-R367 PolarHBondContact O-N 3.4Å; A365-V370 HydrophobicContact CB-CG2 4.3Å | ||
| 366 | P | 91.6 | Very high | 90.1 | Very high | 32 Ų | 32 | 70.8 Ų | 70.8 | 21% | 0.208 | 32% | 0.32 | C | S | . | . | trans | -54.1 | 135 | -175.3 | -26.2 | 33.4 | 0 | 0 | 0 | 113.4 | Y368 L369 V370 | P366-Y368 HydrophobicContact CB-CD1 3.72Å; P366-Y368 HydrophobicContact CB-CD2 4.32Å; P366-Y368 HydrophobicContact CB-CE1 3.24Å; P366-Y368 HydrophobicContact CB-CE2 3.89Å; P366-Y368 HydrophobicContact CB-CG 4.24Å; P366-Y368 HydrophobicContact CG-CE1 4.09Å; P366-Y368 HydrophobicContact CG-CE2 4.48Å; P366-Y368 PolarHBondContact O-N 3.43Å; P366-Y368 VanDerWaalsContact O-N 3.11Å; P366-L369 HydrophobicContact CB-CB 4.49Å; P366-L369 WeakPolarHBondContact O-CB 3.15Å; P366-L369 PolarHBondContact O-N 3.25Å; P366-V370 PolarHBondContact O-N 3.05Å | ||
| 367 | R | 88.8 | Confident | 89.7 | Confident | 214 Ų | 214 | 71.5 Ų | 71.5 | 81% | 0.808 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -57.4 | -32.6 | -175.1 | -69.6 | -177.7 | 178.4 | 179.4 | -0.4 | 113.2 | A365 L369 K371 | A365-R367 PolarHBondContact O-N 3.4Å; R367-L369 VanDerWaalsContact C-N 3.33Å; R367-K371 WeakPolarHBondContact O-CB 3.41Å; R367-K371 VanDerWaalsContact O-CG 3.26Å; R367-K371 WeakPolarHBondContact O-CG 3.5Å; R367-K371 PolarHBondContact O-N 3.06Å |
| 368 | Y | 85.9 | Confident | 89.1 | Confident | 99 Ų | 99 | 78.2 Ų | 78.2 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64 | -39.6 | 176.9 | 59.2 | -104.4 | 0 | 0 | 0 | 111.7 | L295 L298 D302 P366 K371 S372 | L295-Y368 HydrophobicContact CD1-CD2 3.6Å; L295-Y368 HydrophobicContact CD1-CE2 4.41Å; L295-Y368 HydrophobicContact CD1-CG 4.45Å; L295-Y368 HydrophobicContact CD2-CD2 4.3Å; L295-Y368 HydrophobicContact CD2-CG 4.48Å; L298-Y368 HydrophobicContact CD2-CE2 4.13Å; D302-Y368 PolarHBondContact OD1-OH 3.41Å; D302-Y368 PolarHBondContact OD2-OH 2.8Å; P366-Y368 HydrophobicContact CB-CD1 3.72Å; P366-Y368 HydrophobicContact CB-CD2 4.32Å; P366-Y368 HydrophobicContact CB-CE1 3.24Å; P366-Y368 HydrophobicContact CB-CE2 3.89Å; P366-Y368 HydrophobicContact CB-CG 4.24Å; P366-Y368 HydrophobicContact CG-CE1 4.09Å; P366-Y368 HydrophobicContact CG-CE2 4.48Å; P366-Y368 PolarHBondContact O-N 3.43Å; P366-Y368 VanDerWaalsContact O-N 3.11Å; Y368-K371 PolarHBondContact O-N 2.63Å; Y368-S372 WeakPolarHBondContact O-CB 3.22Å; Y368-S372 PolarHBondContact O-N 2.87Å; Y368-S372 PolarHBondContact O-OG 3.3Å; Y368-S372 VanDerWaalsContact O-OG 3.05Å |
| 369 | L | 87.2 | Confident | 88.3 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.3 | -48.3 | -178 | -170.6 | 63.4 | 0 | 0 | 0 | 110.3 | L298 D302 K305 V306 L333 P366 R367 K371 S372 L373 | L298-L369 HydrophobicContact CD2-CD1 3.73Å; D302-L369 HydrophobicContact CB-CD1 4.48Å; D302-L369 HydrophobicContact CB-CD2 4.48Å; K305-L369 HydrophobicContact CB-CD2 4.31Å; V306-L369 HydrophobicContact CG2-CD1 3.58Å; V306-L369 HydrophobicContact CG2-CD2 3.83Å; V306-L369 HydrophobicContact CG2-CG 3.83Å; L333-L369 HydrophobicContact CD2-CD1 4.24Å; P366-L369 HydrophobicContact CB-CB 4.49Å; P366-L369 WeakPolarHBondContact O-CB 3.15Å; P366-L369 PolarHBondContact O-N 3.25Å; R367-L369 VanDerWaalsContact C-N 3.33Å; L369-K371 VanDerWaalsContact C-N 3.35Å; L369-K371 PolarHBondContact O-N 3.01Å; L369-S372 PolarHBondContact O-N 3.38Å; L369-L373 WeakPolarHBondContact O-CB 3.4Å; L369-L373 PolarHBondContact O-N 3.16Å |
| 370 | V | 89.4 | Confident | 87.4 | Confident | 20 Ų | 20 | 69.3 Ų | 69.3 | 12% | 0.121 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 176.6 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | L357 L360 R361 A365 P366 K374 | L357-V370 HydrophobicContact CD2-CG1 4.1Å; L360-V370 HydrophobicContact CB-CG2 4.1Å; R361-V370 HydrophobicContact CG-CG1 4.14Å; A365-V370 HydrophobicContact CB-CG2 4.3Å; P366-V370 PolarHBondContact O-N 3.05Å; V370-K374 WeakPolarHBondContact O-CB 3.06Å; V370-K374 PolarHBondContact O-N 3.11Å |
| 371 | K | 85.9 | Confident | 86.3 | Confident | 144 Ų | 144 | 71.9 Ų | 71.9 | 63% | 0.626 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.3 | -44.6 | 176.8 | -80.6 | 179.2 | -179.8 | -178 | 0 | 111.8 | R367 Y368 L369 K374 K375 | R367-K371 WeakPolarHBondContact O-CB 3.41Å; R367-K371 VanDerWaalsContact O-CG 3.26Å; R367-K371 WeakPolarHBondContact O-CG 3.5Å; R367-K371 PolarHBondContact O-N 3.06Å; Y368-K371 PolarHBondContact O-N 2.63Å; L369-K371 VanDerWaalsContact C-N 3.35Å; L369-K371 PolarHBondContact O-N 3.01Å; K371-K374 PolarHBondContact O-N 2.9Å; K371-K375 WeakPolarHBondContact O-CG 3.13Å; K371-K375 PolarHBondContact O-N 3.44Å; K371-K375 VanDerWaalsContact O-N 3.14Å |
| 372 | S | 81.5 | Confident | 85 | Confident | 15 Ų | 15 | 69.8 Ų | 69.8 | 11% | 0.105 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.1 | -48.6 | 179.7 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | L295 Y368 L369 K374 K375 I376 | L295-S372 VanDerWaalsContact CD1-OG 3.26Å; L295-S372 WeakPolarHBondContact CD1-OG 3.37Å; L295-S372 WeakPolarHBondContact CG-OG 3.47Å; Y368-S372 WeakPolarHBondContact O-CB 3.22Å; Y368-S372 PolarHBondContact O-N 2.87Å; Y368-S372 PolarHBondContact O-OG 3.3Å; Y368-S372 VanDerWaalsContact O-OG 3.05Å; L369-S372 PolarHBondContact O-N 3.38Å; S372-K374 VanDerWaalsContact C-N 3.28Å; S372-K374 PolarHBondContact O-N 3.44Å; S372-K375 WeakPolarHBondContact O-CB 3.19Å; S372-K375 PolarHBondContact O-N 3.26Å; S372-K375 VanDerWaalsContact O-N 3.13Å; S372-I376 PolarHBondContact O-N 3.31Å |
| 373 | L | 86.8 | Confident | 83.5 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.7 | -33.5 | 178.1 | -163.6 | 68.6 | 0 | 0 | 0 | 112.1 | L337 L353 S356 L357 L360 L369 K375 I376 S377 | L337-L373 HydrophobicContact CD1-CD1 4.2Å; L337-L373 HydrophobicContact CD2-CD1 4.49Å; L353-L373 HydrophobicContact CD2-CD1 3.58Å; L353-L373 HydrophobicContact CD2-CD2 4.49Å; L353-L373 HydrophobicContact CD2-CG 4.05Å; S356-L373 VanDerWaalsContact OG-CD2 3.23Å; S356-L373 WeakPolarHBondContact OG-CD2 3.46Å; L357-L373 HydrophobicContact CD2-CB 3.97Å; L357-L373 HydrophobicContact CD2-CD2 4.14Å; L357-L373 HydrophobicContact CD2-CG 4.22Å; L357-L373 HydrophobicContact CG-CD2 4.23Å; L357-L373 HydrophobicContact CG-CG 4.41Å; L360-L373 HydrophobicContact CD1-CD2 3.55Å; L369-L373 WeakPolarHBondContact O-CB 3.4Å; L369-L373 PolarHBondContact O-N 3.16Å; L373-K375 PolarHBondContact O-N 2.99Å; L373-I376 PolarHBondContact O-N 3.05Å; L373-S377 VanDerWaalsContact O-CB 3.27Å; L373-S377 WeakPolarHBondContact O-CB 3.48Å; L373-S377 PolarHBondContact O-N 3.18Å |
| 374 | K | 87.2 | Confident | 81.4 | Confident | 84 Ų | 84 | 65 Ų | 65 | 37% | 0.365 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.4 | -35.4 | 174.4 | -172.5 | 178.4 | -175.2 | -179.8 | 0 | 112.5 | L357 V370 K371 S372 R378 | L357-K374 HydrophobicContact CD1-CB 4.3Å; L357-K374 HydrophobicContact CD2-CB 4.06Å; V370-K374 WeakPolarHBondContact O-CB 3.06Å; V370-K374 PolarHBondContact O-N 3.11Å; K371-K374 PolarHBondContact O-N 2.9Å; S372-K374 VanDerWaalsContact C-N 3.28Å; S372-K374 PolarHBondContact O-N 3.44Å; K374-R378 WeakPolarHBondContact O-CB 3.3Å; K374-R378 WeakPolarHBondContact O-CG 3.33Å; K374-R378 PolarHBondContact O-N 3.16Å |
| 375 | K | 85.3 | Confident | 79.5 | Confident | 110 Ų | 110 | 57.5 Ų | 57.5 | 48% | 0.478 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66 | -47.3 | 174.5 | -72.7 | 178 | -178.9 | -179 | 0 | 111 | K371 S372 L373 R378 I379 | K371-K375 WeakPolarHBondContact O-CG 3.13Å; K371-K375 PolarHBondContact O-N 3.44Å; K371-K375 VanDerWaalsContact O-N 3.14Å; S372-K375 WeakPolarHBondContact O-CB 3.19Å; S372-K375 PolarHBondContact O-N 3.26Å; S372-K375 VanDerWaalsContact O-N 3.13Å; L373-K375 PolarHBondContact O-N 2.99Å; K375-R378 PolarHBondContact O-N 3.49Å; K375-I379 WeakPolarHBondContact O-CG1 3.47Å; K375-I379 PolarHBondContact O-N 3.44Å |
| 376 | I | 82.4 | Confident | 77.9 | Confident | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.3 | -49.1 | 176.5 | -65.7 | 169.7 | 0 | 0 | 0 | 110.5 | L333 L334 L337 L353 S372 L373 R378 I379 I380 | L333-I376 HydrophobicContact CB-CD1 4.43Å; L334-I376 HydrophobicContact CD2-CD1 4.06Å; L337-I376 HydrophobicContact CD1-CG2 4Å; L353-I376 HydrophobicContact CD1-CG2 4.31Å; S372-I376 PolarHBondContact O-N 3.31Å; L373-I376 PolarHBondContact O-N 3.05Å; I376-R378 VanDerWaalsContact C-N 3.34Å; I376-R378 PolarHBondContact O-N 3.09Å; I376-I379 PolarHBondContact O-N 3.31Å; I376-I379 VanDerWaalsContact O-N 3.16Å; I376-I380 HydrophobicContact CG2-CD1 3.71Å; I376-I380 PolarHBondContact O-N 3.49Å |
| 377 | S | 85.4 | Confident | 76.2 | Confident | 15 Ų | 15 | 63.9 Ų | 63.9 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.1 | -41.2 | 177.4 | 174 | 0 | 0 | 0 | 0 | 113 | L373 G381 | L373-S377 VanDerWaalsContact O-CB 3.27Å; L373-S377 WeakPolarHBondContact O-CB 3.48Å; L373-S377 PolarHBondContact O-N 3.18Å; S377-G381 PolarHBondContact O-N 2.9Å |
| 378 | R | 83.4 | Confident | 74.6 | Confident | 148 Ų | 148 | 61.6 Ų | 61.6 | 56% | 0.558 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.4 | -46 | 174.8 | -78.9 | 173.4 | 177.3 | 173.6 | -6.1 | 111.7 | K374 K375 I376 G381 T382 | K374-R378 WeakPolarHBondContact O-CB 3.3Å; K374-R378 WeakPolarHBondContact O-CG 3.33Å; K374-R378 PolarHBondContact O-N 3.16Å; K375-R378 PolarHBondContact O-N 3.49Å; I376-R378 VanDerWaalsContact C-N 3.34Å; I376-R378 PolarHBondContact O-N 3.09Å; R378-G381 PolarHBondContact O-N 3.09Å; R378-T382 WeakPolarHBondContact O-CB 3.26Å; R378-T382 WeakPolarHBondContact O-CG2 3.46Å; R378-T382 PolarHBondContact O-N 2.82Å; R378-T382 PolarHBondContact O-OG1 3.28Å |
| 379 | I | 78.1 | Confident | 73.5 | Confident | 24 Ų | 24 | 58.3 Ų | 58.3 | 12% | 0.123 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.5 | -50.4 | -178.7 | -67.2 | 162.7 | 0 | 0 | 0 | 110.2 | K288 V289 C292 K375 I376 G381 T382 T383 | K288-I379 HydrophobicContact CB-CD1 4.1Å; K288-I379 HydrophobicContact CB-CG1 4.36Å; K288-I379 HydrophobicContact CB-CG2 3.9Å; V289-I379 HydrophobicContact CG2-CB 4.21Å; V289-I379 HydrophobicContact CG2-CG2 3.54Å; C292-I379 WeakPolarHBondContact SG-CD1 3.41Å; K375-I379 WeakPolarHBondContact O-CG1 3.47Å; K375-I379 PolarHBondContact O-N 3.44Å; I376-I379 PolarHBondContact O-N 3.31Å; I376-I379 VanDerWaalsContact O-N 3.16Å; I379-G381 VanDerWaalsContact C-N 3.33Å; I379-G381 PolarHBondContact O-N 3.37Å; I379-T382 PolarHBondContact O-N 3.24Å; I379-T382 PolarHBondContact O-OG1 2.74Å; I379-T383 PolarHBondContact O-OG1 3.42Å |
| 380 | I | 77.1 | Confident | 72.3 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 5% | 0.046 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 177.2 | -73 | 166.9 | 0 | 0 | 0 | 111.5 | A215 L349 A350 L353 I376 T383 | A215-I380 HydrophobicContact CB-CG2 3.82Å; L349-I380 HydrophobicContact CD2-CD1 3.82Å; L349-I380 HydrophobicContact CD2-CG2 4.47Å; L349-I380 HydrophobicContact CG-CD1 4.25Å; L349-I380 HydrophobicContact CG-CG2 4.47Å; A350-I380 HydrophobicContact CB-CG2 4.08Å; L353-I380 HydrophobicContact CD1-CD1 3.54Å; I376-I380 HydrophobicContact CG2-CD1 3.71Å; I376-I380 PolarHBondContact O-N 3.49Å; I380-T383 PolarHBondContact O-OG1 3.13Å |
| 381 | G | 72.2 | Confident | 71 | Confident | 53 Ų | 53 | 68.4 Ų | 68.4 | 55% | 0.546 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -72.9 | -24 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S377 R378 I379 | S377-G381 PolarHBondContact O-N 2.9Å; R378-G381 PolarHBondContact O-N 3.09Å; I379-G381 VanDerWaalsContact C-N 3.33Å; I379-G381 PolarHBondContact O-N 3.37Å |
| 382 | T | 68.1 | Low | 70.1 | Confident | 91 Ų | 91 | 64.4 Ų | 64.4 | 56% | 0.558 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -2.6 | -179.3 | 57 | 0 | 0 | 0 | 0 | 114.5 | R378 I379 S384 | R378-T382 WeakPolarHBondContact O-CB 3.26Å; R378-T382 WeakPolarHBondContact O-CG2 3.46Å; R378-T382 PolarHBondContact O-N 2.82Å; R378-T382 PolarHBondContact O-OG1 3.28Å; I379-T382 PolarHBondContact O-N 3.24Å; I379-T382 PolarHBondContact O-OG1 2.74Å; T382-S384 PolarHBondContact O-N 2.93Å |
| 383 | T | 61.3 | Low | 69.4 | Low | 18 Ų | 18 | 63.8 Ų | 63.8 | 11% | 0.11 | 32% | 0.319 | C | S | . | . | trans | -69.3 | 76.9 | -178.5 | -15.3 | 0 | 0 | 0 | 0 | 110.9 | V216 C285 I379 I380 A385 H386 | V216-T383 HydrophobicContact CG2-CG2 3.81Å; C285-T383 HydrophobicContact CB-CG2 3.83Å; I379-T383 PolarHBondContact O-OG1 3.42Å; I380-T383 PolarHBondContact O-OG1 3.13Å; T383-A385 PolarHBondContact O-N 3.24Å; T383-A385 VanDerWaalsContact O-N 3.16Å; T383-H386 PolarHBondContact O-CE1 3.02Å; T383-H386 PolarHBondContact O-ND1 3.1Å | ||
| 384 | S | 50.8 | Low | 68.4 | Low | 88 Ų | 88 | 67 Ų | 67 | 62% | 0.615 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -6 | -179.8 | 58.1 | 0 | 0 | 0 | 0 | 114.2 | T382 H386 K387 | T382-S384 PolarHBondContact O-N 2.93Å; S384-H386 PolarHBondContact O-N 3.38Å; S384-K387 PolarHBondContact O-N 2.76Å; S384-K387 VanDerWaalsContact O-N 3.16Å |
| 385 | A | 50.6 | Low | 67.2 | Low | 21 Ų | 21 | 65.6 Ų | 65.6 | 17% | 0.174 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -26.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | T383 | T383-A385 PolarHBondContact O-N 3.24Å; T383-A385 VanDerWaalsContact O-N 3.16Å |
| 386 | H | 56.3 | Low | 65.9 | Low | 46 Ų | 46 | 61 Ų | 61 | 21% | 0.213 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.4 | -32.8 | 177 | 67.6 | -85.5 | 0 | 0 | 0 | 112.5 | L220 T383 S384 K388 Y389 E390 | L220-H386 HydrophobicContact CD2-CB 4.42Å; T383-H386 PolarHBondContact O-CE1 3.02Å; T383-H386 PolarHBondContact O-ND1 3.1Å; S384-H386 PolarHBondContact O-N 3.38Å; H386-K388 VanDerWaalsContact C-N 3.32Å; H386-K388 PolarHBondContact O-N 3.1Å; H386-Y389 PolarHBondContact O-N 3.07Å; H386-Y389 VanDerWaalsContact O-N 3.14Å; H386-E390 IonicContact CD2-OE2 3.93Å; H386-E390 WeakPolarHBondContact O-CB 3.45Å; H386-E390 PolarHBondContact O-N 3.17Å |
| 387 | K | 56.6 | Low | 64.7 | Low | 134 Ų | 134 | 62.4 Ų | 62.4 | 58% | 0.583 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.6 | -31.5 | -173.2 | -69.8 | -171 | 175.8 | -174.8 | 0 | 114.7 | S384 | S384-K387 PolarHBondContact O-N 2.76Å; S384-K387 VanDerWaalsContact O-N 3.16Å |
| 388 | K | 56 | Low | 63.2 | Low | 166 Ų | 166 | 68.5 Ų | 68.5 | 72% | 0.722 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -72.7 | -38.6 | 177.8 | -173.4 | 178.6 | 179.4 | -179.3 | 0 | 111.5 | H386 | H386-K388 VanDerWaalsContact C-N 3.32Å; H386-K388 PolarHBondContact O-N 3.1Å |
| 389 | Y | 61.3 | Low | 61.6 | Low | 30 Ų | 30 | 67.1 Ų | 67.1 | 12% | 0.118 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -88.4 | -26.5 | -177.7 | -72.8 | -94.4 | 0 | 0 | 0 | 112.5 | G277 I278 H386 K391 M392 F393 | G277-Y389 PolarHBondContact N-OH 2.54Å; I278-Y389 HydrophobicContact CB-CD2 4.49Å; I278-Y389 HydrophobicContact CB-CE2 4.3Å; I278-Y389 HydrophobicContact CD1-CD1 3.17Å; I278-Y389 HydrophobicContact CD1-CD2 3.75Å; I278-Y389 HydrophobicContact CD1-CE1 3.5Å; I278-Y389 HydrophobicContact CD1-CE2 4.09Å; I278-Y389 HydrophobicContact CD1-CG 3.25Å; I278-Y389 HydrophobicContact CG1-CD1 3.66Å; I278-Y389 HydrophobicContact CG1-CD2 3.23Å; I278-Y389 HydrophobicContact CG1-CE1 3.75Å; I278-Y389 HydrophobicContact CG1-CE2 3.38Å; I278-Y389 HydrophobicContact CG1-CG 3.34Å; I278-Y389 PolarHBondContact N-OH 2.78Å; H386-Y389 PolarHBondContact O-N 3.07Å; H386-Y389 VanDerWaalsContact O-N 3.14Å; Y389-K391 PolarHBondContact O-N 3.14Å; Y389-M392 HydrophobicContact CD1-SD 3.96Å; Y389-M392 HydrophobicContact CE1-SD 4.35Å; Y389-M392 CarbonylContact O-C 3.46Å; Y389-M392 WeakPolarHBondContact O-CA 3.42Å; Y389-M392 WeakPolarHBondContact O-CB 3.3Å; Y389-M392 PolarHBondContact O-N 2.91Å; Y389-F393 WeakPolarHBondContact O-CD2 3.4Å; Y389-F393 PolarHBondContact O-N 2.72Å |
| 390 | E | 62.4 | Low | 60.1 | Low | 65 Ų | 65 | 70.8 Ų | 70.8 | 30% | 0.304 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -52.7 | -44.2 | 165.4 | 174.8 | 174 | -159.8 | 0 | 0 | 110.7 | L223 H386 M392 F393 M394 | L223-E390 HydrophobicContact CD1-CB 3.96Å; L223-E390 HydrophobicContact CD1-CG 3.81Å; L223-E390 HydrophobicContact CD2-CG 3.71Å; L223-E390 HydrophobicContact CG-CG 4.44Å; H386-E390 IonicContact CD2-OE2 3.93Å; H386-E390 WeakPolarHBondContact O-CB 3.45Å; H386-E390 PolarHBondContact O-N 3.17Å; E390-M392 PolarHBondContact O-N 3.21Å; E390-F393 PolarHBondContact O-N 3.12Å; E390-M394 HydrophobicContact CG-CG 4.37Å; E390-M394 WeakPolarHBondContact O-CA 3.44Å; E390-M394 WeakPolarHBondContact O-CB 3.37Å; E390-M394 WeakPolarHBondContact O-CG 3.22Å; E390-M394 PolarHBondContact O-N 3.17Å |
| 391 | K | 63.3 | Low | 58.2 | Low | 166 Ų | 166 | 75.8 Ų | 75.8 | 72% | 0.722 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62.7 | -40.6 | 173.2 | -71.5 | -173.1 | 179.8 | -173 | 0 | 113.4 | Y389 M394 S395 | Y389-K391 PolarHBondContact O-N 3.14Å; K391-M394 PolarHBondContact O-N 2.81Å; K391-S395 PolarHBondContact O-N 2.85Å; K391-S395 PolarHBondContact O-OG 3.39Å |
| 392 | M | 66.6 | Low | 56.6 | Low | 61 Ų | 61 | 78.4 Ų | 78.4 | 30% | 0.3 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 177.4 | 174.6 | -172.9 | 161 | 0 | 0 | 112 | N236 Y389 E390 S395 | N236-M392 WeakPolarHBondContact O-CE 3.34Å; Y389-M392 HydrophobicContact CD1-SD 3.96Å; Y389-M392 HydrophobicContact CE1-SD 4.35Å; Y389-M392 CarbonylContact O-C 3.46Å; Y389-M392 WeakPolarHBondContact O-CA 3.42Å; Y389-M392 WeakPolarHBondContact O-CB 3.3Å; Y389-M392 PolarHBondContact O-N 2.91Å; E390-M392 PolarHBondContact O-N 3.21Å; M392-S395 PolarHBondContact O-OG 3.14Å |
| 393 | F | 66.5 | Low | 54.9 | Low | 1 Ų | 1 | 82.9 Ų | 82.9 | 0% | 0.004 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -70.2 | -35.1 | 174.7 | -74.3 | -67.3 | 0 | 0 | 0 | 111.3 | L220 L223 L225 I233 L237 L264 Y389 E390 M396 F397 | L220-F393 HydrophobicContact CD1-CD2 4.49Å; L220-F393 HydrophobicContact CD1-CE2 4.02Å; L220-F393 HydrophobicContact CD2-CD2 3.89Å; L220-F393 HydrophobicContact CD2-CE2 4.24Å; L223-F393 HydrophobicContact CD1-CB 4.21Å; L225-F393 HydrophobicContact CD1-CB 4.29Å; L225-F393 HydrophobicContact CD1-CD1 3.83Å; L225-F393 HydrophobicContact CD1-CD2 4.47Å; L225-F393 HydrophobicContact CD1-CE1 4.27Å; L225-F393 HydrophobicContact CD1-CG 3.95Å; L225-F393 HydrophobicContact CD2-CB 4.14Å; L225-F393 HydrophobicContact CD2-CD1 3.72Å; L225-F393 HydrophobicContact CD2-CG 4.22Å; L225-F393 HydrophobicContact CG-CD1 4.44Å; I233-F393 HydrophobicContact CG2-CE1 4.3Å; L237-F393 HydrophobicContact CD2-CE1 4.23Å; L237-F393 HydrophobicContact CD2-CZ 3.79Å; L264-F393 HydrophobicContact CD2-CZ 4.22Å; Y389-F393 WeakPolarHBondContact O-CD2 3.4Å; Y389-F393 PolarHBondContact O-N 2.72Å; E390-F393 PolarHBondContact O-N 3.12Å; F393-M396 HydrophobicContact CD1-SD 3.67Å; F393-M396 HydrophobicContact CE1-SD 4.26Å; F393-M396 VanDerWaalsContact O-CB 3.3Å; F393-M396 WeakPolarHBondContact O-CB 3.46Å; F393-M396 PolarHBondContact O-N 3.39Å; F393-F397 WeakPolarHBondContact O-CD2 3.45Å; F393-F397 WeakPolarHBondContact O-CE2 3.5Å |
| 394 | M | 64.9 | Low | 53.5 | Low | 70 Ų | 70 | 91.5 Ų | 91.5 | 35% | 0.345 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 174.3 | -79 | -68.7 | 147.8 | 0 | 0 | 112.9 | L223 E390 K391 M396 F397 Q398 | L223-M394 HydrophobicContact CB-CE 3.47Å; L223-M394 VanDerWaalsContact CB-CE 3.47Å; L223-M394 HydrophobicContact CD1-CE 4.33Å; L223-M394 HydrophobicContact CD2-CE 3.4Å; L223-M394 HydrophobicContact CG-CE 3.86Å; E390-M394 HydrophobicContact CG-CG 4.37Å; E390-M394 WeakPolarHBondContact O-CA 3.44Å; E390-M394 WeakPolarHBondContact O-CB 3.37Å; E390-M394 WeakPolarHBondContact O-CG 3.22Å; E390-M394 PolarHBondContact O-N 3.17Å; K391-M394 PolarHBondContact O-N 2.81Å; M394-M396 PolarHBondContact O-N 3.42Å; M394-F397 PolarHBondContact O-N 2.78Å; M394-F397 VanDerWaalsContact O-N 3.09Å; M394-F397 HydrophobicContact SD-CD2 4.36Å; M394-Q398 PolarHBondContact O-N 3.23Å |
| 395 | S | 63.4 | Low | 52.5 | Low | 54 Ų | 54 | 91.9 Ų | 91.9 | 38% | 0.378 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.4 | -26.8 | 173.9 | 48.6 | 0 | 0 | 0 | 0 | 112.8 | K391 M392 F397 Q398 D399 | K391-S395 PolarHBondContact O-N 2.85Å; K391-S395 PolarHBondContact O-OG 3.39Å; M392-S395 PolarHBondContact O-OG 3.14Å; S395-F397 PolarHBondContact O-N 3.34Å; S395-Q398 PolarHBondContact O-N 3.47Å; S395-Q398 VanDerWaalsContact O-N 3.16Å; S395-D399 PolarHBondContact O-N 3.19Å |
| 396 | M | 58.4 | Low | 51.6 | Low | 12 Ų | 12 | 100 Ų | 100 | 6% | 0.059 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -65.9 | -24.7 | 174.2 | -60.4 | 172.5 | 54.2 | 0 | 0 | 113.1 | N236 F393 M394 | N236-M396 HydrophobicContact CB-CE 3.77Å; N236-M396 HydrophobicContact CB-CG 4.44Å; N236-M396 HydrophobicContact CB-SD 3.65Å; N236-M396 WeakPolarHBondContact ND2-CE 3.24Å; F393-M396 HydrophobicContact CD1-SD 3.67Å; F393-M396 HydrophobicContact CE1-SD 4.26Å; F393-M396 VanDerWaalsContact O-CB 3.3Å; F393-M396 WeakPolarHBondContact O-CB 3.46Å; F393-M396 PolarHBondContact O-N 3.39Å; M394-M396 PolarHBondContact O-N 3.42Å |
| 397 | F | 56 | Low | 50.5 | Low | 39 Ų | 39 | 106.6 Ų | 106.6 | 17% | 0.171 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -87.8 | -23.2 | 173.6 | -60.7 | -83 | 0 | 0 | 0 | 112.9 | L223 R224 L225 V228 F393 M394 S395 D399 E400 | L223-F397 WeakPolarHBondContact O-CE2 3.33Å; L223-F397 WeakPolarHBondContact O-CZ 2.97Å; R224-F397 VanDerWaalsContact C-CZ 3.47Å; R224-F397 HydrophobicContact CB-CE1 4.12Å; R224-F397 HydrophobicContact CB-CZ 4.17Å; L225-F397 HydrophobicContact CD2-CE2 3.83Å; L225-F397 HydrophobicContact CD2-CZ 3.77Å; L225-F397 HydrophobicContact CG-CE2 4.33Å; L225-F397 HydrophobicContact CG-CZ 4.17Å; V228-F397 HydrophobicContact CG2-CD1 4Å; V228-F397 HydrophobicContact CG2-CE1 3.23Å; V228-F397 HydrophobicContact CG2-CZ 3.64Å; F393-F397 WeakPolarHBondContact O-CD2 3.45Å; F393-F397 WeakPolarHBondContact O-CE2 3.5Å; M394-F397 PolarHBondContact O-N 2.78Å; M394-F397 VanDerWaalsContact O-N 3.09Å; M394-F397 HydrophobicContact SD-CD2 4.36Å; S395-F397 PolarHBondContact O-N 3.34Å; F397-D399 PolarHBondContact O-N 3.49Å; F397-E400 WeakPolarHBondContact O-CB 2.98Å; F397-E400 PolarHBondContact O-N 3.38Å |
| 398 | Q | 54.1 | Low | 49.7 | Very low | 142 Ų | 142 | 108.4 Ų | 108.4 | 66% | 0.664 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.9 | -26.2 | 176.5 | -71.4 | -179.5 | -18 | 0 | 0 | 111.9 | M394 S395 E400 S401 | M394-Q398 PolarHBondContact O-N 3.23Å; S395-Q398 PolarHBondContact O-N 3.47Å; S395-Q398 VanDerWaalsContact O-N 3.16Å; Q398-E400 PolarHBondContact O-N 3.31Å; Q398-S401 PolarHBondContact O-N 3.05Å; Q398-S401 PolarHBondContact O-OG 2.85Å |
| 399 | D | 49.4 | Very low | 48.6 | Very low | 120 Ų | 120 | 108.4 Ų | 108.4 | 64% | 0.642 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -68 | -7.2 | 168.8 | -81.5 | -21.4 | 0 | 0 | 0 | 113.8 | S395 F397 S401 | S395-D399 PolarHBondContact O-N 3.19Å; F397-D399 PolarHBondContact O-N 3.49Å; D399-S401 VanDerWaalsContact C-N 3.3Å; D399-S401 PolarHBondContact O-N 3.49Å |
| 400 | E | 46.3 | Very low | 47.5 | Very low | 100 Ų | 100 | 113.5 Ų | 113.5 | 47% | 0.467 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -79.8 | -2.4 | 173.2 | -66 | -143.7 | 151.8 | 0 | 0 | 114.5 | R232 F397 Q398 C402 F403 | R232-E400 IonicContact NH1-OE1 2.54Å; F397-E400 WeakPolarHBondContact O-CB 2.98Å; F397-E400 PolarHBondContact O-N 3.38Å; Q398-E400 PolarHBondContact O-N 3.31Å; E400-C402 PolarHBondContact O-N 3.18Å; E400-F403 PolarHBondContact O-N 3.44Å |
| 401 | S | 38.7 | Very low | 46.2 | Very low | 114 Ų | 114 | 123 Ų | 123 | 80% | 0.797 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -66.5 | 5.7 | 172.5 | 65.2 | 0 | 0 | 0 | 0 | 114.2 | Q398 D399 | Q398-S401 PolarHBondContact O-N 3.05Å; Q398-S401 PolarHBondContact O-OG 2.85Å; D399-S401 VanDerWaalsContact C-N 3.3Å; D399-S401 PolarHBondContact O-N 3.49Å |
| 402 | C | 38.6 | Very low | 45.4 | Very low | 109 Ų | 109 | 120.9 Ų | 120.9 | 74% | 0.736 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -88.4 | -0.3 | 177.1 | -152 | 0 | 0 | 0 | 0 | 114.9 | E400 | E400-C402 PolarHBondContact O-N 3.18Š|
| 403 | F | 31.9 | Very low | 44.3 | Very low | 185 Ų | 185 | 124.1 Ų | 124.1 | 81% | 0.811 | 64% | 0.635 | S | S | * | * | trans | -106.4 | 86 | 168.7 | -69.4 | -76.2 | 0 | 0 | 0 | 110.7 | E400 A405 | E400-F403 PolarHBondContact O-N 3.44Å; F403-A405 PolarHBondContact O-N 2.81Å | ||
| 404 | K | 31.5 | Very low | 43 | Very low | 198 Ų | 198 | 130.9 Ų | 130.9 | 86% | 0.861 | 67% | 0.67 | S | S | * | * | trans | -53.4 | 132.9 | 155.6 | -83.8 | 178.4 | 176.6 | 174.9 | 0 | 107.6 | H406 | K404-H406 PolarHBondContact O-N 3.47Å; K404-H406 VanDerWaalsContact O-N 3.17Å | ||
| 405 | A | 30.2 | Very low | 41.7 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 79% | 0.793 | 69% | 0.689 | S | S | * | * | trans | -43.3 | 123.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | F403 K407 | F403-A405 PolarHBondContact O-N 2.81Å; A405-K407 PolarHBondContact O-N 3.32Å | ||
| 406 | H | 32.2 | Very low | 40.4 | Very low | 191 Ų | 191 | 139.5 Ų | 139.5 | 88% | 0.884 | 71% | 0.709 | S | S | * | * | trans | -55.9 | 109.3 | 165.8 | -107.7 | -75.8 | 0 | 0 | 0 | 107 | K404 Q408 | K404-H406 PolarHBondContact O-N 3.47Å; K404-H406 VanDerWaalsContact O-N 3.17Å; H406-Q408 PolarHBondContact O-N 2.83Å | ||
| 407 | K | 32.8 | Very low | 39.2 | Very low | 186 Ų | 186 | 148 Ų | 148 | 81% | 0.809 | 75% | 0.752 | S | S | * | * | trans | -55.1 | 123.7 | 167.1 | -168.4 | 177.4 | -177.4 | -173.5 | 0 | 106.4 | A405 L409 | A405-K407 PolarHBondContact O-N 3.32Å; K407-L409 PolarHBondContact O-N 2.71Å; K407-L409 VanDerWaalsContact O-N 3.14Å | ||
| 408 | Q | 39 | Very low | 38 | Very low | 172 Ų | 172 | 155.8 Ų | 155.8 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -57.1 | 118 | 167.9 | -79.5 | 179.6 | -25.9 | 0 | 0 | 107.7 | H406 N410 | H406-Q408 PolarHBondContact O-N 2.83Å; Q408-N410 PolarHBondContact O-N 2.63Å | ||
| 409 | L | 33.1 | Very low | 36.8 | Very low | 166 Ų | 166 | 156.8 Ų | 156.8 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -80.7 | 102.9 | 161.3 | -95.8 | 134.4 | 0 | 0 | 0 | 106.3 | K407 | K407-L409 PolarHBondContact O-N 2.71Å; K407-L409 VanDerWaalsContact O-N 3.14Å | ||
| 410 | N | 39.2 | Very low | 35.7 | Very low | 136 Ų | 136 | 159.9 Ų | 159.9 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -80.6 | 147 | 151.2 | -78.1 | -14.3 | 0 | 0 | 0 | 107.8 | Q408 | Q408-N410 PolarHBondContact O-N 2.63Š| ||
| 411 | E | 35 | Very low | 34.7 | Very low | 266 Ų | 266 | 165.4 Ų | 165.4 | 100% | 1.243 | 85% | 0.849 | S | S | * | * | trans | 89 | 0 | -179.9 | -61.9 | -177.4 | 167.6 | 0 | 0 | 116.6 |
Retrieved 411 of 411 residues in 429.6 ms
(Link to these results)