| 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 | 60.2 | Low | 72.8 | Confident | 211 Ų | 211 | 116.1 Ų | 116.1 | 100% | 1.039 | 65% | 0.651 | S | S | * | * | 0 | -41 | 0 | -74.9 | -74.9 | -166.2 | 0 | 0 | 112.8 | T3 | M1-T3 PolarHBondContact O-N 3.25Š| |||
| 2 | A | 61.7 | Low | 73.4 | Confident | 72 Ų | 72 | 116.6 Ų | 116.6 | 60% | 0.595 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -61.7 | -36 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | K4 I5 L6 | A2-K4 VanDerWaalsContact C-N 3.33Å; A2-K4 PolarHBondContact O-N 3.43Å; A2-I5 PolarHBondContact O-N 3.08Å; A2-L6 PolarHBondContact O-N 3.23Å |
| 3 | T | 67.1 | Low | 73.5 | Confident | 118 Ų | 118 | 112.1 Ų | 112.1 | 72% | 0.724 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.7 | -31.7 | -174.2 | -32.9 | 0 | 0 | 0 | 0 | 113.7 | M1 A7 | M1-T3 PolarHBondContact O-N 3.25Å; T3-A7 PolarHBondContact O-N 3.03Å |
| 4 | K | 70.2 | Confident | 73.7 | Confident | 168 Ų | 168 | 113 Ų | 113 | 73% | 0.73 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.6 | -29.7 | 180 | -59.3 | -178.2 | 81.4 | -179.8 | 0 | 112.1 | A2 L8 | A2-K4 VanDerWaalsContact C-N 3.33Å; A2-K4 PolarHBondContact O-N 3.43Å; K4-L8 PolarHBondContact O-N 3.17Å |
| 5 | I | 75.6 | Confident | 73.4 | Confident | 104 Ų | 104 | 115.9 Ų | 115.9 | 53% | 0.533 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -72.3 | -43 | 177.7 | -62.2 | 174.6 | 0 | 0 | 0 | 110.1 | A2 A7 L8 L9 | A2-I5 PolarHBondContact O-N 3.08Å; I5-A7 VanDerWaalsContact C-N 3.31Å; I5-A7 PolarHBondContact O-N 3.41Å; I5-L8 PolarHBondContact O-N 3.38Å; I5-L9 HydrophobicContact CG2-CD1 3.66Å; I5-L9 VanDerWaalsContact O-CD1 3.25Å; I5-L9 WeakPolarHBondContact O-CD1 3.4Å; I5-L9 PolarHBondContact O-N 3.39Å |
| 6 | L | 73.9 | Confident | 72.9 | Confident | 123 Ų | 123 | 114.1 Ų | 114.1 | 64% | 0.644 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -60.4 | -39 | 175.9 | -78.2 | 166.4 | 0 | 0 | 0 | 112.6 | A2 L9 A10 | A2-L6 PolarHBondContact O-N 3.23Å; L6-L9 PolarHBondContact O-N 3.47Å; L6-A10 WeakPolarHBondContact O-CB 3.42Å; L6-A10 PolarHBondContact O-N 3.17Å |
| 7 | A | 76.4 | Confident | 72.1 | Confident | 62 Ų | 62 | 112.2 Ų | 112.2 | 51% | 0.512 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65 | -39.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T3 I5 A10 L11 | T3-A7 PolarHBondContact O-N 3.03Å; I5-A7 VanDerWaalsContact C-N 3.31Å; I5-A7 PolarHBondContact O-N 3.41Å; A7-A10 PolarHBondContact O-N 3.14Å; A7-L11 PolarHBondContact O-N 3.49Å |
| 8 | L | 79.1 | Confident | 71 | Confident | 126 Ų | 126 | 110.5 Ų | 110.5 | 66% | 0.66 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.5 | -41.4 | 175 | -89.3 | 161.1 | 0 | 0 | 0 | 112.2 | K4 I5 L11 L12 | K4-L8 PolarHBondContact O-N 3.17Å; I5-L8 PolarHBondContact O-N 3.38Å; L8-L11 PolarHBondContact O-N 3.04Å; L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 PolarHBondContact O-N 2.79Å |
| 9 | L | 79.3 | Confident | 70 | Confident | 109 Ų | 109 | 110.2 Ų | 110.2 | 57% | 0.571 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.3 | -41.1 | 174.6 | -90.9 | 95.7 | 0 | 0 | 0 | 112.3 | I5 L6 L12 A13 | I5-L9 HydrophobicContact CG2-CD1 3.66Å; I5-L9 VanDerWaalsContact O-CD1 3.25Å; I5-L9 WeakPolarHBondContact O-CD1 3.4Å; I5-L9 PolarHBondContact O-N 3.39Å; L6-L9 PolarHBondContact O-N 3.47Å; L9-L12 PolarHBondContact O-N 3.29Å; L9-A13 PolarHBondContact O-N 2.78Å |
| 10 | A | 78.4 | Confident | 68.9 | Low | 64 Ų | 64 | 111.6 Ų | 111.6 | 53% | 0.529 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -63.7 | -40.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L6 A7 A13 L14 | L6-A10 WeakPolarHBondContact O-CB 3.42Å; L6-A10 PolarHBondContact O-N 3.17Å; A7-A10 PolarHBondContact O-N 3.14Å; A10-A13 PolarHBondContact O-N 2.93Å; A10-L14 PolarHBondContact O-N 3.35Å; A10-L14 VanDerWaalsContact O-N 3.09Å |
| 11 | L | 78.4 | Confident | 67.6 | Low | 120 Ų | 120 | 109.8 Ų | 109.8 | 63% | 0.628 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.9 | -38 | 177.4 | -151.1 | 108.4 | 0 | 0 | 0 | 111.8 | A7 L8 L14 F15 | A7-L11 PolarHBondContact O-N 3.49Å; L8-L11 PolarHBondContact O-N 3.04Å; L11-L14 PolarHBondContact O-N 3.38Å; L11-F15 PolarHBondContact O-N 3.5Å; L11-F15 VanDerWaalsContact O-N 3.09Å |
| 12 | L | 80.1 | Confident | 66.8 | Low | 122 Ų | 122 | 109 Ų | 109 | 64% | 0.639 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.9 | -41.7 | 176.3 | -160.1 | 78.2 | 0 | 0 | 0 | 111.8 | L8 L9 L14 F15 V16 | L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 PolarHBondContact O-N 2.79Å; L9-L12 PolarHBondContact O-N 3.29Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 2.81Å; L12-F15 PolarHBondContact O-N 3.48Å; L12-V16 WeakPolarHBondContact O-CG2 3.48Å; L12-V16 PolarHBondContact O-N 3.08Å; L12-V16 VanDerWaalsContact O-N 3.08Å |
| 13 | A | 75.4 | Confident | 66.1 | Low | 58 Ų | 58 | 113 Ų | 113 | 48% | 0.479 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -64.3 | -37.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L9 A10 S17 | L9-A13 PolarHBondContact O-N 2.78Å; A10-A13 PolarHBondContact O-N 2.93Å; A13-S17 WeakPolarHBondContact O-CB 3.44Å; A13-S17 PolarHBondContact O-N 2.89Å; A13-S17 VanDerWaalsContact O-N 3.15Å; A13-S17 PolarHBondContact O-OG 2.78Å |
| 14 | L | 75.9 | Confident | 65.1 | Low | 125 Ų | 125 | 113.8 Ų | 113.8 | 65% | 0.654 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.3 | -38.8 | 175 | -167.7 | 69.3 | 0 | 0 | 0 | 111.6 | A10 L11 L12 S17 A18 | A10-L14 PolarHBondContact O-N 3.35Å; A10-L14 VanDerWaalsContact O-N 3.09Å; L11-L14 PolarHBondContact O-N 3.38Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 2.81Å; L14-S17 PolarHBondContact O-N 2.96Å; L14-A18 PolarHBondContact O-N 3.37Å; L14-A18 VanDerWaalsContact O-N 3.13Å |
| 15 | F | 69.3 | Low | 63.8 | Low | 156 Ų | 156 | 111.4 Ų | 111.4 | 68% | 0.684 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.5 | -37.7 | -179.9 | -137.7 | -93.1 | 0 | 0 | 0 | 112.9 | L11 L12 S17 A18 T19 | L11-F15 PolarHBondContact O-N 3.5Å; L11-F15 VanDerWaalsContact O-N 3.09Å; L12-F15 PolarHBondContact O-N 3.48Å; F15-S17 VanDerWaalsContact C-N 3.31Å; F15-A18 PolarHBondContact O-N 2.84Å; F15-T19 PolarHBondContact O-OG1 3.13Å; F15-T19 VanDerWaalsContact O-OG1 3.08Å |
| 16 | V | 65 | Low | 61.9 | Low | 88 Ų | 88 | 115 Ų | 115 | 53% | 0.533 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -67.2 | -35.1 | 173.5 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | L12 T19 | L12-V16 WeakPolarHBondContact O-CG2 3.48Å; L12-V16 PolarHBondContact O-N 3.08Å; L12-V16 VanDerWaalsContact O-N 3.08Å; V16-T19 PolarHBondContact O-N 3.02Å |
| 17 | S | 59.2 | Low | 60.2 | Low | 82 Ų | 82 | 115 Ų | 115 | 57% | 0.573 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -71.1 | -31.1 | 179.5 | -56.7 | 0 | 0 | 0 | 0 | 113.1 | A13 L14 F15 T19 | A13-S17 WeakPolarHBondContact O-CB 3.44Å; A13-S17 PolarHBondContact O-N 2.89Å; A13-S17 VanDerWaalsContact O-N 3.15Å; A13-S17 PolarHBondContact O-OG 2.78Å; L14-S17 PolarHBondContact O-N 2.96Å; F15-S17 VanDerWaalsContact C-N 3.31Å; S17-T19 VanDerWaalsContact C-N 3.29Å; S17-T19 PolarHBondContact O-N 3.44Å |
| 18 | A | 53.5 | Low | 58.5 | Low | 81 Ų | 81 | 117.3 Ų | 117.3 | 67% | 0.669 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -75.5 | -15.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L14 F15 | L14-A18 PolarHBondContact O-N 3.37Å; L14-A18 VanDerWaalsContact O-N 3.13Å; F15-A18 PolarHBondContact O-N 2.84Å |
| 19 | T | 52.1 | Low | 56.4 | Low | 104 Ų | 104 | 119.4 Ų | 119.4 | 64% | 0.638 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -89.7 | -16.9 | -177.3 | -51.3 | 0 | 0 | 0 | 0 | 112.6 | F15 V16 S17 | F15-T19 PolarHBondContact O-OG1 3.13Å; F15-T19 VanDerWaalsContact O-OG1 3.08Å; V16-T19 PolarHBondContact O-N 3.02Å; S17-T19 VanDerWaalsContact C-N 3.29Å; S17-T19 PolarHBondContact O-N 3.44Å |
| 20 | N | 46.7 | Very low | 54.4 | Low | 139 Ų | 139 | 118.4 Ų | 118.4 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -103.4 | 10.2 | -175.6 | -73.6 | -17.1 | 0 | 0 | 0 | 114.9 | ||
| 21 | A | 43.1 | Very low | 52.7 | Low | 74 Ų | 74 | 120.7 Ų | 120.7 | 61% | 0.612 | 70% | 0.702 | S | S | * | * | trans | -104.9 | 57.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 22 | F | 42.1 | Very low | 50.7 | Low | 193 Ų | 193 | 120.2 Ų | 120.2 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | trans | -119.3 | 87.9 | 159.8 | -119.8 | -93.1 | 0 | 0 | 0 | 108.3 | I24 | F22-I24 PolarHBondContact O-N 2.85Š| ||
| 23 | I | 46.9 | Very low | 48.6 | Very low | 158 Ų | 158 | 118.3 Ų | 118.3 | 81% | 0.81 | 71% | 0.711 | S | S | * | * | trans | -72.4 | 105.3 | 172.7 | -64 | 171.7 | 0 | 0 | 0 | 106.7 | P25 | I23-P25 WeakPolarHBondContact O-CD 3.41Š| ||
| 24 | I | 47 | Very low | 47 | Very low | 133 Ų | 133 | 123 Ų | 123 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | trans | -85.3 | 115.8 | 169.2 | -60.8 | 171 | 0 | 0 | 0 | 107.1 | F22 Q26 | F22-I24 PolarHBondContact O-N 2.85Å; I24-Q26 PolarHBondContact O-N 3.3Å | ||
| 25 | P | 43.1 | Very low | 45.3 | Very low | 119 Ų | 119 | 124 Ų | 124 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | trans | -73.8 | 108.2 | 166.7 | 28.9 | -27.9 | 0 | 0 | 0 | 108.2 | I23 C27 | I23-P25 WeakPolarHBondContact O-CD 3.41Å; P25-C27 PolarHBondContact O-N 2.81Å | ||
| 26 | Q | 34.7 | Very low | 43.7 | Very low | 178 Ų | 178 | 121.6 Ų | 121.6 | 83% | 0.832 | 73% | 0.731 | S | S | * | * | trans | -73.4 | 116.2 | 167.5 | -68.8 | -164.3 | -25.2 | 0 | 0 | 109.5 | I24 | I24-Q26 PolarHBondContact O-N 3.3Š| ||
| 27 | C | 39.1 | Very low | 42.6 | Very low | 123 Ų | 123 | 125.9 Ų | 125.9 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | trans | -152.2 | 92.6 | 155.1 | -93.2 | 0 | 0 | 0 | 0 | 109.6 | P25 | P25-C27 PolarHBondContact O-N 2.81Š| ||
| 28 | S | 39.7 | Very low | 41.4 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | 59 | 125.3 | 132.3 | -60.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 29 | L | 35.9 | Very low | 40.7 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | 90.3 | 113.3 | 138.6 | -104.8 | 76.8 | 0 | 0 | 0 | 119.9 | ||||
| 30 | A | 37.7 | Very low | 40 | Very low | 88 Ų | 88 | 141.7 Ų | 141.7 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -74.1 | -163.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 31 | P | 41.3 | Very low | 39.7 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | cis | -130 | -179.4 | -23 | 25.3 | -2.6 | 0 | 0 | 0 | 112.2 | ||||
| 32 | S | 36.1 | Very low | 39.5 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | 105.5 | 132.1 | 149.7 | -44.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 33 | A | 37.1 | Very low | 39.2 | Very low | 82 Ų | 82 | 139.1 Ų | 139.1 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | 98.1 | 104.6 | 138.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 34 | I | 41.1 | Very low | 38.8 | Very low | 155 Ų | 155 | 137.2 Ų | 137.2 | 80% | 0.795 | 78% | 0.78 | S | S | * | * | 75.6 | 101.9 | 126.5 | -55.7 | 162 | 0 | 0 | 0 | 118.3 | |||||
| 35 | I | 40.4 | Very low | 38.1 | Very low | 147 Ų | 147 | 140 Ų | 140 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | 13.9 | 163.4 | 134.7 | -15.9 | 179.6 | 0 | 0 | 0 | 120.5 | ||||
| 36 | P | 36.9 | Very low | 37.8 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | -120 | 144.8 | -88 | 38.2 | -21.6 | 0 | 0 | 0 | 112.1 | |||||
| 37 | Q | 40.1 | Very low | 38 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -136.2 | 106.1 | 175.5 | -57.3 | -167 | 25.6 | 0 | 0 | 112.8 | L39 | Q37-L39 PolarHBondContact O-N 3.03Å; Q37-L39 VanDerWaalsContact O-N 3.09Å | ||
| 38 | F | 35.6 | Very low | 38.1 | Very low | 214 Ų | 214 | 141.1 Ų | 141.1 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | trans | -32.3 | 103.3 | 150.3 | -87 | -105.3 | 0 | 0 | 0 | 111.9 | ||||
| 39 | L | 38.2 | Very low | 38.5 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | -146.2 | 109.8 | 159.9 | -77.7 | 177.5 | 0 | 0 | 0 | 110.1 | Q37 | Q37-L39 PolarHBondContact O-N 3.03Å; Q37-L39 VanDerWaalsContact O-N 3.09Å | ||
| 40 | R | 36.9 | Very low | 39 | Very low | 233 Ų | 233 | 141.4 Ų | 141.4 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | trans | -100.1 | 128.4 | 154.8 | 174 | -176.3 | -83.9 | 165.4 | -5.7 | 107.5 | ||||
| 41 | P | 41.4 | Very low | 39.9 | Very low | 111 Ų | 111 | 140 Ų | 140 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | trans | -129 | 113 | 142.8 | 11.5 | 10.1 | 0 | 0 | 0 | 109.2 | ||||
| 42 | V | 38.5 | Very low | 40.7 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 68% | 0.679 | 75% | 0.751 | S | S | * | * | 69.1 | 110.4 | 85.8 | -179.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 43 | T | 34.9 | Very low | 41.6 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | 63.7 | 115.8 | 156.7 | 37.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 44 | S | 39 | Very low | 42.5 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | -147.9 | 133.7 | 116.1 | 104.6 | 0 | 0 | 0 | 0 | 109.5 | G46 | S44-G46 PolarHBondContact O-N 3.16Š| |||
| 45 | M | 32.9 | Very low | 43.4 | Very low | 191 Ų | 191 | 137.9 Ų | 137.9 | 94% | 0.941 | 72% | 0.724 | S | S | * | * | trans | -66 | 124 | -178.2 | -65.4 | -165.2 | -70.9 | 0 | 0 | 110.9 | ||||
| 46 | G | 37.2 | Very low | 44.5 | Very low | 55 Ų | 55 | 139.2 Ų | 139.2 | 57% | 0.567 | 72% | 0.72 | S | S | * | * | trans | -166.7 | 127.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | S44 E48 | S44-G46 PolarHBondContact O-N 3.16Å; G46-E48 PolarHBondContact O-N 3.05Å | ||
| 47 | F | 37.5 | Very low | 45.9 | Very low | 220 Ų | 220 | 139.7 Ų | 139.7 | 97% | 0.965 | 72% | 0.716 | S | S | * | * | trans | -61.2 | 79.6 | 179.2 | -71 | -97.8 | 0 | 0 | 0 | 110.3 | H49 | F47-H49 VanDerWaalsContact C-N 3.3Å; F47-H49 PolarHBondContact O-N 3.14Å | ||
| 48 | E | 41.1 | Very low | 47.1 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 79% | 0.794 | 71% | 0.707 | S | S | * | * | trans | -73.9 | 94.5 | 171.4 | -67.8 | -154.1 | 120.4 | 0 | 0 | 107.9 | G46 L50 | G46-E48 PolarHBondContact O-N 3.05Å; E48-L50 PolarHBondContact O-N 3.14Å | ||
| 49 | H | 47.9 | Very low | 48.5 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 63% | 0.63 | 68% | 0.684 | S | S | * | * | trans | -24.9 | 122.2 | 175 | -149.7 | 49.5 | 0 | 0 | 0 | 113 | F47 A51 V52 | F47-H49 VanDerWaalsContact C-N 3.3Å; F47-H49 PolarHBondContact O-N 3.14Å; H49-A51 PolarHBondContact O-N 3.07Å; H49-V52 HydrophobicContact CB-CG2 4.19Å; H49-V52 PolarHBondContact O-N 3.33Å | ||
| 50 | L | 47.4 | Very low | 49.5 | Very low | 152 Ų | 152 | 127.7 Ų | 127.7 | 80% | 0.796 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -45.8 | -29.7 | 177.2 | -139.5 | 84 | 0 | 0 | 0 | 112.7 | E48 A54 | E48-L50 PolarHBondContact O-N 3.14Å; L50-A54 WeakPolarHBondContact O-CB 3.32Å; L50-A54 PolarHBondContact O-N 3.33Å |
| 51 | A | 55.9 | Low | 50.4 | Low | 58 Ų | 58 | 121.3 Ų | 121.3 | 48% | 0.479 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -67.4 | -37.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | H49 A54 Y55 | H49-A51 PolarHBondContact O-N 3.07Å; A51-A54 PolarHBondContact O-N 3.42Å; A51-Y55 WeakPolarHBondContact O-CB 2.92Å; A51-Y55 PolarHBondContact O-N 2.82Å |
| 52 | V | 57.8 | Low | 51 | Low | 74 Ų | 74 | 118.5 Ų | 118.5 | 45% | 0.448 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -71 | -38.6 | 178.4 | 178.2 | 0 | 0 | 0 | 0 | 110.2 | H49 Y55 R56 | H49-V52 HydrophobicContact CB-CG2 4.19Å; H49-V52 PolarHBondContact O-N 3.33Å; V52-Y55 PolarHBondContact O-N 3.5Å; V52-R56 WeakPolarHBondContact O-CG 3.18Å; V52-R56 PolarHBondContact O-N 3Å |
| 53 | Q | 55.4 | Low | 51.6 | Low | 142 Ų | 142 | 115.3 Ų | 115.3 | 66% | 0.664 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67 | -40.1 | 174.5 | -169.9 | 162.3 | 11.5 | 0 | 0 | 111.8 | R56 L57 | Q53-R56 PolarHBondContact O-N 3.02Å; Q53-L57 WeakPolarHBondContact O-CB 3.47Å; Q53-L57 PolarHBondContact O-N 3.08Å |
| 54 | A | 55.5 | Low | 52.4 | Low | 57 Ų | 57 | 112.5 Ų | 112.5 | 47% | 0.471 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.8 | -42.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | L50 A51 L57 Q58 | L50-A54 WeakPolarHBondContact O-CB 3.32Å; L50-A54 PolarHBondContact O-N 3.33Å; A51-A54 PolarHBondContact O-N 3.42Å; A54-L57 PolarHBondContact O-N 3.49Å; A54-Q58 WeakPolarHBondContact O-CB 3.36Å; A54-Q58 PolarHBondContact O-N 3.23Å |
| 55 | Y | 61.3 | Low | 53 | Low | 142 Ų | 142 | 111.4 Ų | 111.4 | 56% | 0.557 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.7 | -42.5 | 177.5 | -169.7 | -95.9 | 0 | 0 | 0 | 112.3 | A51 V52 L57 Q58 Q59 | A51-Y55 WeakPolarHBondContact O-CB 2.92Å; A51-Y55 PolarHBondContact O-N 2.82Å; V52-Y55 PolarHBondContact O-N 3.5Å; Y55-L57 PolarHBondContact O-N 3.24Å; Y55-Q58 PolarHBondContact O-N 3.35Å; Y55-Q59 WeakPolarHBondContact O-CB 3.36Å; Y55-Q59 PolarHBondContact O-N 2.96Å |
| 56 | R | 63.6 | Low | 53.9 | Low | 175 Ų | 175 | 108 Ų | 108 | 66% | 0.66 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.2 | -42.1 | 174.3 | -72.8 | -73.6 | -150.1 | -144.1 | 0.9 | 112.1 | V52 Q53 Q59 A60 | V52-R56 WeakPolarHBondContact O-CG 3.18Å; V52-R56 PolarHBondContact O-N 3Å; Q53-R56 PolarHBondContact O-N 3.02Å; R56-Q59 PolarHBondContact O-N 3.36Å; R56-A60 WeakPolarHBondContact O-CB 3.48Å; R56-A60 PolarHBondContact O-N 2.8Å |
| 57 | L | 66 | Low | 54.3 | Low | 115 Ų | 115 | 111 Ų | 111 | 60% | 0.602 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.4 | -44.4 | 176.9 | -163.8 | 92.5 | 0 | 0 | 0 | 110.7 | Q53 A54 Y55 Q59 A60 L61 | Q53-L57 WeakPolarHBondContact O-CB 3.47Å; Q53-L57 PolarHBondContact O-N 3.08Å; A54-L57 PolarHBondContact O-N 3.49Å; Y55-L57 PolarHBondContact O-N 3.24Å; L57-Q59 VanDerWaalsContact C-N 3.32Å; L57-Q59 PolarHBondContact O-N 3.32Å; L57-A60 PolarHBondContact O-N 2.76Å; L57-L61 HydrophobicContact CD2-CD1 4.11Å; L57-L61 HydrophobicContact CG-CD1 3.8Å; L57-L61 WeakPolarHBondContact O-CB 3.43Å; L57-L61 WeakPolarHBondContact O-CD1 3.44Å; L57-L61 PolarHBondContact O-N 3.03Å |
| 58 | Q | 65.5 | Low | 55.1 | Low | 138 Ų | 138 | 107.2 Ų | 107.2 | 65% | 0.645 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.2 | -39.1 | 177.5 | -169.3 | 171.2 | 21.7 | 0 | 0 | 111.7 | A54 Y55 L61 A62 | A54-Q58 WeakPolarHBondContact O-CB 3.36Å; A54-Q58 PolarHBondContact O-N 3.23Å; Y55-Q58 PolarHBondContact O-N 3.35Å; Q58-L61 PolarHBondContact O-N 3.31Å; Q58-A62 VanDerWaalsContact O-CB 3.28Å; Q58-A62 WeakPolarHBondContact O-CB 3.44Å; Q58-A62 PolarHBondContact O-N 2.94Å |
| 59 | Q | 65.4 | Low | 55.7 | Low | 100 Ų | 100 | 102 Ų | 102 | 47% | 0.467 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70.8 | -37.7 | 177.1 | -161.4 | 163 | 45.1 | 0 | 0 | 112 | Y55 R56 L57 A62 A63 | Y55-Q59 WeakPolarHBondContact O-CB 3.36Å; Y55-Q59 PolarHBondContact O-N 2.96Å; R56-Q59 PolarHBondContact O-N 3.36Å; L57-Q59 VanDerWaalsContact C-N 3.32Å; L57-Q59 PolarHBondContact O-N 3.32Å; Q59-A62 PolarHBondContact O-N 2.84Å; Q59-A63 VanDerWaalsContact O-CB 3.28Å; Q59-A63 WeakPolarHBondContact O-CB 3.46Å; Q59-A63 PolarHBondContact O-N 2.97Å |
| 60 | A | 58.9 | Low | 56 | Low | 55 Ų | 55 | 100.6 Ų | 100.6 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R56 L57 S64 | R56-A60 WeakPolarHBondContact O-CB 3.48Å; R56-A60 PolarHBondContact O-N 2.8Å; L57-A60 PolarHBondContact O-N 2.76Å; A60-S64 WeakPolarHBondContact O-CB 3.48Å; A60-S64 PolarHBondContact O-N 3Å; A60-S64 PolarHBondContact O-OG 2.95Å |
| 61 | L | 56 | Low | 56.2 | Low | 99 Ų | 99 | 97.9 Ų | 97.9 | 52% | 0.518 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.3 | -45.7 | 172.1 | -95.3 | 98.4 | 0 | 0 | 0 | 111.3 | L57 Q58 A63 S64 V65 | L57-L61 HydrophobicContact CD2-CD1 4.11Å; L57-L61 HydrophobicContact CG-CD1 3.8Å; L57-L61 WeakPolarHBondContact O-CB 3.43Å; L57-L61 WeakPolarHBondContact O-CD1 3.44Å; L57-L61 PolarHBondContact O-N 3.03Å; Q58-L61 PolarHBondContact O-N 3.31Å; L61-A63 VanDerWaalsContact C-N 3.32Å; L61-A63 PolarHBondContact O-N 3.38Å; L61-S64 PolarHBondContact O-N 3.48Å; L61-S64 VanDerWaalsContact O-N 3.14Å; L61-V65 WeakPolarHBondContact O-CB 3.45Å; L61-V65 WeakPolarHBondContact O-CG2 3.39Å; L61-V65 PolarHBondContact O-N 3.46Å |
| 62 | A | 53 | Low | 56 | Low | 51 Ų | 51 | 101.6 Ų | 101.6 | 42% | 0.421 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q58 Q59 L66 | Q58-A62 VanDerWaalsContact O-CB 3.28Å; Q58-A62 WeakPolarHBondContact O-CB 3.44Å; Q58-A62 PolarHBondContact O-N 2.94Å; Q59-A62 PolarHBondContact O-N 2.84Å; A62-L66 WeakPolarHBondContact O-CB 3.42Å; A62-L66 PolarHBondContact O-N 3.41Å |
| 63 | A | 51.9 | Low | 55.8 | Low | 46 Ų | 46 | 103.5 Ų | 103.5 | 38% | 0.38 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q59 L61 Q67 | Q59-A63 VanDerWaalsContact O-CB 3.28Å; Q59-A63 WeakPolarHBondContact O-CB 3.46Å; Q59-A63 PolarHBondContact O-N 2.97Å; L61-A63 VanDerWaalsContact C-N 3.32Å; L61-A63 PolarHBondContact O-N 3.38Å; A63-Q67 VanDerWaalsContact O-CB 3.29Å; A63-Q67 WeakPolarHBondContact O-CB 3.36Å; A63-Q67 VanDerWaalsContact O-CG 3.3Å; A63-Q67 WeakPolarHBondContact O-CG 3.42Å; A63-Q67 PolarHBondContact O-N 2.88Å |
| 64 | S | 50.5 | Low | 55.8 | Low | 68 Ų | 68 | 102.9 Ų | 102.9 | 48% | 0.476 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -71.2 | -40.2 | 178.8 | -58.9 | 0 | 0 | 0 | 0 | 112.5 | A60 L61 L66 Q67 Q68 | A60-S64 WeakPolarHBondContact O-CB 3.48Å; A60-S64 PolarHBondContact O-N 3Å; A60-S64 PolarHBondContact O-OG 2.95Å; L61-S64 PolarHBondContact O-N 3.48Å; L61-S64 VanDerWaalsContact O-N 3.14Å; S64-L66 VanDerWaalsContact C-N 3.32Å; S64-L66 PolarHBondContact O-N 2.85Å; S64-Q67 PolarHBondContact O-N 3.16Å; S64-Q68 PolarHBondContact O-N 2.65Å; S64-Q68 VanDerWaalsContact O-N 3.1Å |
| 65 | V | 51.7 | Low | 55.7 | Low | 96 Ų | 96 | 107.4 Ų | 107.4 | 58% | 0.582 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.4 | -31.4 | 178.2 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | L61 P69 | L61-V65 WeakPolarHBondContact O-CB 3.45Å; L61-V65 WeakPolarHBondContact O-CG2 3.39Å; L61-V65 PolarHBondContact O-N 3.46Å; V65-P69 WeakPolarHBondContact O-CD 3.17Å; V65-P69 WeakPolarHBondContact O-CG 3.36Å |
| 66 | L | 52 | Low | 55.2 | Low | 118 Ų | 118 | 104.9 Ų | 104.9 | 62% | 0.618 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -84.9 | -32.6 | 174.3 | -78.6 | 170.1 | 0 | 0 | 0 | 113.6 | A62 S64 P69 I70 | A62-L66 WeakPolarHBondContact O-CB 3.42Å; A62-L66 PolarHBondContact O-N 3.41Å; S64-L66 VanDerWaalsContact C-N 3.32Å; S64-L66 PolarHBondContact O-N 2.85Å; L66-P69 VanDerWaalsContact O-CD 3.3Å; L66-P69 WeakPolarHBondContact O-CD 3.44Å; L66-P69 VanDerWaalsContact O-CG 3.31Å; L66-P69 WeakPolarHBondContact O-CG 3.46Å; L66-I70 WeakPolarHBondContact O-CD1 3.2Å; L66-I70 WeakPolarHBondContact O-CG1 3.47Å |
| 67 | Q | 46.5 | Very low | 54.6 | Low | 118 Ų | 118 | 100.3 Ų | 100.3 | 55% | 0.551 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -76.8 | -32.3 | -179.5 | -77.9 | -158 | 60 | 0 | 0 | 114 | A63 S64 I70 N71 | A63-Q67 VanDerWaalsContact O-CB 3.29Å; A63-Q67 WeakPolarHBondContact O-CB 3.36Å; A63-Q67 VanDerWaalsContact O-CG 3.3Å; A63-Q67 WeakPolarHBondContact O-CG 3.42Å; A63-Q67 PolarHBondContact O-N 2.88Å; S64-Q67 PolarHBondContact O-N 3.16Å; Q67-I70 PolarHBondContact O-N 2.93Å; Q67-N71 PolarHBondContact O-N 2.87Å |
| 68 | Q | 53 | Low | 53.8 | Low | 142 Ų | 142 | 99.6 Ų | 99.6 | 66% | 0.664 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -56.5 | -49.5 | 175.3 | -83.5 | -170.5 | -47.7 | 0 | 0 | 113.6 | S64 I70 Q72 | S64-Q68 PolarHBondContact O-N 2.65Å; S64-Q68 VanDerWaalsContact O-N 3.1Å; Q68-I70 VanDerWaalsContact C-N 3.35Å; Q68-I70 PolarHBondContact O-N 3.49Å; Q68-Q72 WeakPolarHBondContact O-CB 3.29Å; Q68-Q72 WeakPolarHBondContact O-CG 3.43Å; Q68-Q72 PolarHBondContact O-N 3.47Å |
| 69 | P | 54.5 | Low | 52.8 | Low | 60 Ų | 60 | 95.3 Ų | 95.3 | 39% | 0.39 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.7 | -31.9 | 178.2 | 23.4 | -31.3 | 0 | 0 | 0 | 112.4 | V65 L66 Q72 L73 | V65-P69 WeakPolarHBondContact O-CD 3.17Å; V65-P69 WeakPolarHBondContact O-CG 3.36Å; L66-P69 VanDerWaalsContact O-CD 3.3Å; L66-P69 WeakPolarHBondContact O-CD 3.44Å; L66-P69 VanDerWaalsContact O-CG 3.31Å; L66-P69 WeakPolarHBondContact O-CG 3.46Å; P69-Q72 PolarHBondContact O-N 2.98Å; P69-L73 WeakPolarHBondContact O-CB 3.45Å; P69-L73 PolarHBondContact O-N 3.43Å |
| 70 | I | 54.8 | Low | 52.1 | Low | 107 Ų | 107 | 94.5 Ų | 94.5 | 55% | 0.549 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.2 | -45.3 | 178.9 | -65.5 | 170.4 | 0 | 0 | 0 | 111.2 | L66 Q67 Q68 Q72 L73 Q74 | L66-I70 WeakPolarHBondContact O-CD1 3.2Å; L66-I70 WeakPolarHBondContact O-CG1 3.47Å; Q67-I70 PolarHBondContact O-N 2.93Å; Q68-I70 VanDerWaalsContact C-N 3.35Å; Q68-I70 PolarHBondContact O-N 3.49Å; I70-Q72 VanDerWaalsContact C-N 3.31Å; I70-Q72 PolarHBondContact O-N 2.92Å; I70-L73 PolarHBondContact O-N 3.37Å; I70-Q74 WeakPolarHBondContact O-CB 3.26Å; I70-Q74 PolarHBondContact O-N 3.36Å |
| 71 | N | 50 | Low | 51.8 | Low | 94 Ų | 94 | 96.8 Ų | 96.8 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.5 | -34.1 | 175.6 | -81 | -19.4 | 0 | 0 | 0 | 111.9 | Q67 Q75 | Q67-N71 PolarHBondContact O-N 2.87Å; N71-Q75 WeakPolarHBondContact O-CB 3.31Å; N71-Q75 PolarHBondContact O-N 3.29Å |
| 72 | Q | 53.2 | Low | 51.6 | Low | 136 Ų | 136 | 95.6 Ų | 95.6 | 64% | 0.636 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.5 | -40.4 | 171.6 | -82.1 | -169.1 | -14 | 0 | 0 | 112.6 | Q68 P69 I70 Q76 | Q68-Q72 WeakPolarHBondContact O-CB 3.29Å; Q68-Q72 WeakPolarHBondContact O-CG 3.43Å; Q68-Q72 PolarHBondContact O-N 3.47Å; P69-Q72 PolarHBondContact O-N 2.98Å; I70-Q72 VanDerWaalsContact C-N 3.31Å; I70-Q72 PolarHBondContact O-N 2.92Å; Q72-Q76 VanDerWaalsContact O-CB 3.25Å; Q72-Q76 WeakPolarHBondContact O-CB 3.48Å; Q72-Q76 PolarHBondContact O-N 2.8Å |
| 73 | L | 52.6 | Low | 51.4 | Low | 115 Ų | 115 | 98 Ų | 98 | 60% | 0.602 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.6 | -38.9 | 176.1 | -110.3 | 163.5 | 0 | 0 | 0 | 111.6 | P69 I70 Q76 S77 | P69-L73 WeakPolarHBondContact O-CB 3.45Å; P69-L73 PolarHBondContact O-N 3.43Å; I70-L73 PolarHBondContact O-N 3.37Å; L73-Q76 PolarHBondContact O-N 3.45Å; L73-S77 WeakPolarHBondContact O-CB 3.38Å; L73-S77 PolarHBondContact O-N 2.87Å |
| 74 | Q | 55.1 | Low | 51.5 | Low | 128 Ų | 128 | 102.2 Ų | 102.2 | 60% | 0.598 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.8 | -41.8 | 178.6 | -153.3 | -159.6 | 37.6 | 0 | 0 | 111.5 | I70 Q76 S77 L78 | I70-Q74 WeakPolarHBondContact O-CB 3.26Å; I70-Q74 PolarHBondContact O-N 3.36Å; Q74-Q76 VanDerWaalsContact C-N 3.32Å; Q74-S77 PolarHBondContact O-N 3.3Å; Q74-L78 PolarHBondContact O-N 3.13Å |
| 75 | Q | 53.7 | Low | 51.6 | Low | 152 Ų | 152 | 102.3 Ų | 102.3 | 71% | 0.71 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.3 | -39.3 | 170.1 | -89.3 | -153.5 | 25.6 | 0 | 0 | 111.9 | N71 S77 L78 A79 | N71-Q75 WeakPolarHBondContact O-CB 3.31Å; N71-Q75 PolarHBondContact O-N 3.29Å; Q75-S77 VanDerWaalsContact C-N 3.35Å; Q75-L78 PolarHBondContact O-N 3.1Å; Q75-A79 VanDerWaalsContact O-CB 3.3Å; Q75-A79 WeakPolarHBondContact O-CB 3.19Å; Q75-A79 PolarHBondContact O-N 2.93Å |
| 76 | Q | 50.7 | Low | 51.8 | Low | 89 Ų | 89 | 102.6 Ų | 102.6 | 42% | 0.416 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 173.5 | -97.5 | -160.9 | -27.8 | 0 | 0 | 110.6 | Q72 L73 Q74 L78 A79 H80 | Q72-Q76 VanDerWaalsContact O-CB 3.25Å; Q72-Q76 WeakPolarHBondContact O-CB 3.48Å; Q72-Q76 PolarHBondContact O-N 2.8Å; L73-Q76 PolarHBondContact O-N 3.45Å; Q74-Q76 VanDerWaalsContact C-N 3.32Å; Q76-L78 VanDerWaalsContact C-N 3.34Å; Q76-L78 PolarHBondContact O-N 3.11Å; Q76-A79 PolarHBondContact O-N 3.37Å; Q76-H80 WeakPolarHBondContact O-CB 3.34Å; Q76-H80 PolarHBondContact O-N 3.34Å; Q76-H80 PolarHBondContact O-ND1 3.37Å |
| 77 | S | 51.6 | Low | 51.7 | Low | 79 Ų | 79 | 99.6 Ų | 99.6 | 55% | 0.552 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63 | -42.2 | -179.3 | -173.1 | 0 | 0 | 0 | 0 | 111.2 | L73 Q74 Q75 H80 L81 | L73-S77 WeakPolarHBondContact O-CB 3.38Å; L73-S77 PolarHBondContact O-N 2.87Å; Q74-S77 PolarHBondContact O-N 3.3Å; Q75-S77 VanDerWaalsContact C-N 3.35Å; S77-H80 PolarHBondContact O-N 3.37Å; S77-L81 VanDerWaalsContact O-CB 3.31Å; S77-L81 WeakPolarHBondContact O-CB 3.36Å; S77-L81 PolarHBondContact O-N 3.42Å |
| 78 | L | 48.4 | Very low | 51.9 | Low | 100 Ų | 100 | 97.4 Ų | 97.4 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 173.5 | -84.3 | 166.5 | 0 | 0 | 0 | 112.4 | Q74 Q75 Q76 L81 T82 | Q74-L78 PolarHBondContact O-N 3.13Å; Q75-L78 PolarHBondContact O-N 3.1Å; Q76-L78 VanDerWaalsContact C-N 3.34Å; Q76-L78 PolarHBondContact O-N 3.11Å; L78-L81 PolarHBondContact O-N 2.85Å; L78-T82 VanDerWaalsContact O-CB 3.3Å; L78-T82 WeakPolarHBondContact O-CB 3.33Å; L78-T82 PolarHBondContact O-N 2.81Å; L78-T82 PolarHBondContact O-OG1 3.11Å |
| 79 | A | 45.8 | Very low | 52.1 | Low | 49 Ų | 49 | 96.4 Ų | 96.4 | 41% | 0.405 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q75 Q76 T82 I83 | Q75-A79 VanDerWaalsContact O-CB 3.3Å; Q75-A79 WeakPolarHBondContact O-CB 3.19Å; Q75-A79 PolarHBondContact O-N 2.93Å; Q76-A79 PolarHBondContact O-N 3.37Å; A79-T82 PolarHBondContact O-N 2.72Å; A79-I83 WeakPolarHBondContact O-CB 3.42Å; A79-I83 WeakPolarHBondContact O-CG1 3.45Å; A79-I83 PolarHBondContact O-N 3.2Å |
| 80 | H | 51.2 | Low | 52 | Low | 83 Ų | 83 | 96.5 Ų | 96.5 | 38% | 0.384 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 175.9 | -74.4 | 93.6 | 0 | 0 | 0 | 111.6 | Q76 S77 I83 Q84 | Q76-H80 WeakPolarHBondContact O-CB 3.34Å; Q76-H80 PolarHBondContact O-N 3.34Å; Q76-H80 PolarHBondContact O-ND1 3.37Å; S77-H80 PolarHBondContact O-N 3.37Å; H80-I83 PolarHBondContact O-N 3.4Å; H80-Q84 VanDerWaalsContact O-CB 3.28Å; H80-Q84 WeakPolarHBondContact O-CB 3.34Å; H80-Q84 PolarHBondContact O-N 3.32Å |
| 81 | L | 51.2 | Low | 51.9 | Low | 103 Ų | 103 | 97.5 Ų | 97.5 | 54% | 0.539 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 176.9 | -166.6 | 79.9 | 0 | 0 | 0 | 111 | S77 L78 Q84 T85 | S77-L81 VanDerWaalsContact O-CB 3.31Å; S77-L81 WeakPolarHBondContact O-CB 3.36Å; S77-L81 PolarHBondContact O-N 3.42Å; L78-L81 PolarHBondContact O-N 2.85Å; L81-Q84 PolarHBondContact O-N 3.47Å; L81-T85 VanDerWaalsContact O-CB 3.31Å; L81-T85 WeakPolarHBondContact O-CB 3.1Å; L81-T85 PolarHBondContact O-N 3.12Å; L81-T85 PolarHBondContact O-OG1 3.48Å |
| 82 | T | 51.4 | Low | 52.1 | Low | 74 Ų | 74 | 101 Ų | 101 | 45% | 0.454 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.2 | -41.2 | 178.5 | -50.8 | 0 | 0 | 0 | 0 | 110.8 | L78 A79 T85 I86 | L78-T82 VanDerWaalsContact O-CB 3.3Å; L78-T82 WeakPolarHBondContact O-CB 3.33Å; L78-T82 PolarHBondContact O-N 2.81Å; L78-T82 PolarHBondContact O-OG1 3.11Å; A79-T82 PolarHBondContact O-N 2.72Å; T82-T85 PolarHBondContact O-N 2.51Å; T82-I86 HydrophobicContact CG2-CD1 3.85Å; T82-I86 HydrophobicContact CG2-CG1 4.43Å; T82-I86 WeakPolarHBondContact O-CB 3.34Å; T82-I86 WeakPolarHBondContact O-CG1 3.37Å; T82-I86 PolarHBondContact O-N 3.18Å |
| 83 | I | 50.7 | Low | 52.1 | Low | 101 Ų | 101 | 100.9 Ų | 100.9 | 52% | 0.518 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 175.8 | -69.9 | 169.2 | 0 | 0 | 0 | 111.1 | A79 H80 T85 I86 A87 | A79-I83 WeakPolarHBondContact O-CB 3.42Å; A79-I83 WeakPolarHBondContact O-CG1 3.45Å; A79-I83 PolarHBondContact O-N 3.2Å; H80-I83 PolarHBondContact O-N 3.4Å; I83-T85 VanDerWaalsContact C-N 3.31Å; I83-T85 PolarHBondContact O-N 3.47Å; I83-I86 PolarHBondContact O-N 3.27Å; I83-A87 WeakPolarHBondContact O-CB 3.3Å; I83-A87 PolarHBondContact O-N 3.21Å |
| 84 | Q | 52.4 | Low | 51.7 | Low | 135 Ų | 135 | 98.7 Ų | 98.7 | 63% | 0.631 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.9 | -38.4 | 177.5 | -155.9 | 179.4 | 96.9 | 0 | 0 | 110.6 | H80 L81 T88 | H80-Q84 VanDerWaalsContact O-CB 3.28Å; H80-Q84 WeakPolarHBondContact O-CB 3.34Å; H80-Q84 PolarHBondContact O-N 3.32Å; L81-Q84 PolarHBondContact O-N 3.47Å; Q84-T88 VanDerWaalsContact O-CB 3.29Å; Q84-T88 WeakPolarHBondContact O-CB 3.12Å; Q84-T88 WeakPolarHBondContact O-CG2 3.13Å; Q84-T88 PolarHBondContact O-N 3.05Å; Q84-T88 PolarHBondContact O-OG1 2.92Å |
| 85 | T | 54.1 | Low | 51.1 | Low | 70 Ų | 70 | 97.1 Ų | 97.1 | 43% | 0.429 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.3 | -43.4 | 175.2 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | L81 T82 I83 T88 Q89 | L81-T85 VanDerWaalsContact O-CB 3.31Å; L81-T85 WeakPolarHBondContact O-CB 3.1Å; L81-T85 PolarHBondContact O-N 3.12Å; L81-T85 PolarHBondContact O-OG1 3.48Å; T82-T85 PolarHBondContact O-N 2.51Å; I83-T85 VanDerWaalsContact C-N 3.31Å; I83-T85 PolarHBondContact O-N 3.47Å; T85-T88 WeakPolarHBondContact CA-OG1 3.44Å; T85-T88 PolarHBondContact O-OG1 3.14Å; T85-Q89 WeakPolarHBondContact O-CB 3.34Å; T85-Q89 PolarHBondContact O-N 3.13Å |
| 86 | I | 55 | Low | 50.6 | Low | 101 Ų | 101 | 94.3 Ų | 94.3 | 52% | 0.518 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 177.4 | -67.9 | 166.1 | 0 | 0 | 0 | 110.5 | T82 I83 T88 Q90 | T82-I86 HydrophobicContact CG2-CD1 3.85Å; T82-I86 HydrophobicContact CG2-CG1 4.43Å; T82-I86 WeakPolarHBondContact O-CB 3.34Å; T82-I86 WeakPolarHBondContact O-CG1 3.37Å; T82-I86 PolarHBondContact O-N 3.18Å; I83-I86 PolarHBondContact O-N 3.27Å; I86-T88 PolarHBondContact O-N 2.72Å; I86-Q90 VanDerWaalsContact O-CB 3.31Å; I86-Q90 WeakPolarHBondContact O-CB 3.29Å; I86-Q90 PolarHBondContact O-N 3.13Å |
| 87 | A | 50.5 | Low | 50.2 | Low | 55 Ų | 55 | 92.3 Ų | 92.3 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I83 Q91 | I83-A87 WeakPolarHBondContact O-CB 3.3Å; I83-A87 PolarHBondContact O-N 3.21Å; A87-Q91 WeakPolarHBondContact O-CB 3.5Å; A87-Q91 PolarHBondContact O-N 3.31Å |
| 88 | T | 50.9 | Low | 49.6 | Very low | 73 Ų | 73 | 92.2 Ų | 92.2 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -75.9 | -38.7 | 177.8 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | Q84 T85 I86 Q91 Q92 | Q84-T88 VanDerWaalsContact O-CB 3.29Å; Q84-T88 WeakPolarHBondContact O-CB 3.12Å; Q84-T88 WeakPolarHBondContact O-CG2 3.13Å; Q84-T88 PolarHBondContact O-N 3.05Å; Q84-T88 PolarHBondContact O-OG1 2.92Å; T85-T88 WeakPolarHBondContact CA-OG1 3.44Å; T85-T88 PolarHBondContact O-OG1 3.14Å; I86-T88 PolarHBondContact O-N 2.72Å; T88-Q91 PolarHBondContact O-N 3.38Å; T88-Q92 PolarHBondContact O-N 3.48Å |
| 89 | Q | 55.8 | Low | 49.1 | Very low | 121 Ų | 121 | 92 Ų | 92 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.5 | -43 | 172 | -110.7 | -153.8 | 93.2 | 0 | 0 | 111.6 | T85 Q91 Q92 Q93 | T85-Q89 WeakPolarHBondContact O-CB 3.34Å; T85-Q89 PolarHBondContact O-N 3.13Å; Q89-Q91 VanDerWaalsContact C-N 3.33Å; Q89-Q91 PolarHBondContact O-N 3.41Å; Q89-Q92 PolarHBondContact O-N 3.03Å; Q89-Q93 WeakPolarHBondContact O-CB 3.46Å; Q89-Q93 PolarHBondContact O-N 3.06Å |
| 90 | Q | 53.6 | Low | 48.8 | Very low | 61 Ų | 61 | 98.1 Ų | 98.1 | 29% | 0.285 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 176 | -108.1 | -135.5 | 51.4 | 0 | 0 | 110.8 | I86 F94 | I86-Q90 VanDerWaalsContact O-CB 3.31Å; I86-Q90 WeakPolarHBondContact O-CB 3.29Å; I86-Q90 PolarHBondContact O-N 3.13Å; Q90-F94 HydrophobicContact CB-CD2 4.31Å; Q90-F94 HydrophobicContact CG-CD2 3.76Å; Q90-F94 HydrophobicContact CG-CE2 3.93Å; Q90-F94 WeakPolarHBondContact O-CA 3.25Å; Q90-F94 WeakPolarHBondContact O-CB 3.34Å; Q90-F94 PolarHBondContact O-N 3.17Å |
| 91 | Q | 52.5 | Low | 48.4 | Very low | 128 Ų | 128 | 99.3 Ų | 99.3 | 60% | 0.598 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -57.7 | -54.1 | 174.7 | -107.4 | -153 | 14.7 | 0 | 0 | 111.3 | A87 T88 Q89 Q93 L95 | A87-Q91 WeakPolarHBondContact O-CB 3.5Å; A87-Q91 PolarHBondContact O-N 3.31Å; T88-Q91 PolarHBondContact O-N 3.38Å; Q89-Q91 VanDerWaalsContact C-N 3.33Å; Q89-Q91 PolarHBondContact O-N 3.41Å; Q91-Q93 VanDerWaalsContact C-N 3.35Å; Q91-Q93 PolarHBondContact O-N 3.29Å; Q91-L95 HydrophobicContact CB-CD1 3.86Å; Q91-L95 HydrophobicContact CG-CD1 3.62Å; Q91-L95 WeakPolarHBondContact O-CB 3.44Å; Q91-L95 WeakPolarHBondContact O-CD1 3.42Å; Q91-L95 PolarHBondContact O-N 2.93Å |
| 92 | Q | 54.5 | Low | 47.8 | Very low | 168 Ų | 168 | 101.3 Ų | 101.3 | 79% | 0.785 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.3 | -33.9 | -174.3 | -78.2 | -167.8 | 40.6 | 0 | 0 | 113.8 | T88 Q89 | T88-Q92 PolarHBondContact O-N 3.48Å; Q89-Q92 PolarHBondContact O-N 3.03Å |
| 93 | Q | 51.9 | Low | 47.3 | Very low | 134 Ų | 134 | 104 Ų | 104 | 63% | 0.626 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -89.4 | -27.3 | -176.7 | -160.8 | 172.3 | -46.3 | 0 | 0 | 113.2 | Q89 Q91 | Q89-Q93 WeakPolarHBondContact O-CB 3.46Å; Q89-Q93 PolarHBondContact O-N 3.06Å; Q91-Q93 VanDerWaalsContact C-N 3.35Å; Q91-Q93 PolarHBondContact O-N 3.29Å |
| 94 | F | 44.9 | Very low | 46.8 | Very low | 68 Ų | 68 | 104.5 Ų | 104.5 | 30% | 0.298 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -101.5 | -10.7 | -179.8 | -71.8 | -97.4 | 0 | 0 | 0 | 114.3 | Q90 P96 A97 L98 | Q90-F94 HydrophobicContact CB-CD2 4.31Å; Q90-F94 HydrophobicContact CG-CD2 3.76Å; Q90-F94 HydrophobicContact CG-CE2 3.93Å; Q90-F94 WeakPolarHBondContact O-CA 3.25Å; Q90-F94 WeakPolarHBondContact O-CB 3.34Å; Q90-F94 PolarHBondContact O-N 3.17Å; F94-P96 VanDerWaalsContact C-CD 3.5Å; F94-P96 VanDerWaalsContact C-N 3.3Å; F94-A97 HydrophobicContact CD1-CB 4.43Å; F94-A97 PolarHBondContact O-N 3.35Å; F94-L98 HydrophobicContact CB-CD1 3.78Å; F94-L98 HydrophobicContact CB-CG 4.08Å; F94-L98 WeakPolarHBondContact O-CB 3.31Å; F94-L98 WeakPolarHBondContact O-CG 3.45Å; F94-L98 PolarHBondContact O-N 3Å |
| 95 | L | 42.9 | Very low | 46.7 | Very low | 96 Ų | 96 | 102.5 Ų | 102.5 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -53.3 | -41.3 | 174.1 | -109.5 | 71.8 | 0 | 0 | 0 | 113.1 | Q91 S99 | Q91-L95 HydrophobicContact CB-CD1 3.86Å; Q91-L95 HydrophobicContact CG-CD1 3.62Å; Q91-L95 WeakPolarHBondContact O-CB 3.44Å; Q91-L95 WeakPolarHBondContact O-CD1 3.42Å; Q91-L95 PolarHBondContact O-N 2.93Å; L95-S99 PolarHBondContact O-OG 2.83Å |
| 96 | P | 43.3 | Very low | 46.2 | Very low | 92 Ų | 92 | 102.9 Ų | 102.9 | 60% | 0.597 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -75.3 | -27.1 | 175.5 | -15.2 | 30 | 0 | 0 | 0 | 113.9 | F94 | F94-P96 VanDerWaalsContact C-CD 3.5Å; F94-P96 VanDerWaalsContact C-N 3.3Å |
| 97 | A | 41.9 | Very low | 46 | Very low | 47 Ų | 47 | 100.8 Ų | 100.8 | 39% | 0.388 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -86 | -33.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F94 Q100 | F94-A97 HydrophobicContact CD1-CB 4.43Å; F94-A97 PolarHBondContact O-N 3.35Å; A97-Q100 PolarHBondContact O-N 3.37Å |
| 98 | L | 39 | Very low | 46.1 | Very low | 77 Ų | 77 | 99.9 Ų | 99.9 | 40% | 0.403 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71.8 | -30.3 | 177.8 | -76.1 | 164.9 | 0 | 0 | 0 | 112.2 | F94 Q100 L101 | F94-L98 HydrophobicContact CB-CD1 3.78Å; F94-L98 HydrophobicContact CB-CG 4.08Å; F94-L98 WeakPolarHBondContact O-CB 3.31Å; F94-L98 WeakPolarHBondContact O-CG 3.45Å; F94-L98 PolarHBondContact O-N 3Å; L98-Q100 PolarHBondContact O-N 2.82Å; L98-Q100 VanDerWaalsContact O-N 3.17Å; L98-L101 PolarHBondContact O-N 2.85Å; L98-L101 VanDerWaalsContact O-N 3.14Å |
| 99 | S | 36.8 | Very low | 46 | Very low | 97 Ų | 97 | 102.7 Ų | 102.7 | 68% | 0.678 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -13.8 | 172.8 | -65.2 | 0 | 0 | 0 | 0 | 113.9 | L95 | L95-S99 PolarHBondContact O-OG 2.83Š|
| 100 | Q | 40.7 | Very low | 45.8 | Very low | 177 Ų | 177 | 99.3 Ų | 99.3 | 83% | 0.827 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -4.1 | 175.5 | -63.7 | -137.1 | 38.2 | 0 | 0 | 113.9 | A97 L98 D102 | A97-Q100 PolarHBondContact O-N 3.37Å; L98-Q100 PolarHBondContact O-N 2.82Å; L98-Q100 VanDerWaalsContact O-N 3.17Å; Q100-D102 VanDerWaalsContact C-N 3.33Å; Q100-D102 PolarHBondContact O-N 2.69Å |
| 101 | L | 41.7 | Very low | 45.8 | Very low | 107 Ų | 107 | 101.2 Ų | 101.2 | 56% | 0.56 | 54% | 0.543 | S | S | * | . | trans | -98.8 | 30.2 | -179 | -91.9 | 143.6 | 0 | 0 | 0 | 112.6 | L98 V103 V104 | L98-L101 PolarHBondContact O-N 2.85Å; L98-L101 VanDerWaalsContact O-N 3.14Å; L101-V103 PolarHBondContact O-N 3.48Å; L101-V104 PolarHBondContact O-N 3.41Å | ||
| 102 | D | 38.5 | Very low | 46 | Very low | 145 Ų | 145 | 102.2 Ų | 102.2 | 78% | 0.775 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 6.1 | -166.9 | -163.5 | 32.1 | 0 | 0 | 0 | 118 | Q100 | Q100-D102 VanDerWaalsContact C-N 3.33Å; Q100-D102 PolarHBondContact O-N 2.69Å |
| 103 | V | 40.8 | Very low | 46 | Very low | 130 Ų | 130 | 98.2 Ų | 98.2 | 79% | 0.788 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.2 | -16.7 | -178.5 | -164.7 | 0 | 0 | 0 | 0 | 115 | L101 | L101-V103 PolarHBondContact O-N 3.48Š|
| 104 | V | 42.1 | Very low | 46 | Very low | 113 Ų | 113 | 92.8 Ų | 92.8 | 69% | 0.685 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -118 | 80.6 | -164.9 | -167.2 | 0 | 0 | 0 | 0 | 111.7 | L101 | L101-V104 PolarHBondContact O-N 3.41Š|
| 105 | N | 49.2 | Very low | 46.2 | Very low | 92 Ų | 92 | 94.9 Ų | 94.9 | 49% | 0.492 | 52% | 0.519 | S | S | . | . | trans | 39.4 | 74.5 | 158.1 | -162.3 | -15.5 | 0 | 0 | 0 | 115.5 | V107 A108 Y109 | N105-V107 PolarHBondContact O-N 2.84Å; N105-V107 WeakPolarHBondContact OD1-CB 3.31Å; N105-V107 PolarHBondContact OD1-N 2.86Å; N105-A108 HydrophobicContact CB-CB 4.05Å; N105-A108 PolarHBondContact O-N 3.42Å; N105-A108 PolarHBondContact OD1-N 3.27Å; N105-Y109 PolarHBondContact O-N 2.84Å | ||
| 106 | P | 43.1 | Very low | 46.6 | Very low | 78 Ų | 78 | 94.6 Ų | 94.6 | 51% | 0.506 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.1 | -24.2 | 176.9 | 23.4 | -33.8 | 0 | 0 | 0 | 112.7 | L110 | P106-L110 PolarHBondContact O-N 3.32Å |
| 107 | V | 50.9 | Low | 46.9 | Very low | 58 Ų | 58 | 94.8 Ų | 94.8 | 35% | 0.352 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.9 | -36.7 | 177.7 | 178.9 | 0 | 0 | 0 | 0 | 111.9 | N105 Q111 | N105-V107 PolarHBondContact O-N 2.84Å; N105-V107 WeakPolarHBondContact OD1-CB 3.31Å; N105-V107 PolarHBondContact OD1-N 2.86Å; V107-Q111 WeakPolarHBondContact O-CB 3.21Å; V107-Q111 WeakPolarHBondContact O-CG 3.44Å; V107-Q111 PolarHBondContact O-N 3.44Å |
| 108 | A | 52.2 | Low | 47.1 | Very low | 35 Ų | 35 | 95.9 Ų | 95.9 | 29% | 0.289 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69 | -37.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N105 Q111 Q112 | N105-A108 HydrophobicContact CB-CB 4.05Å; N105-A108 PolarHBondContact O-N 3.42Å; N105-A108 PolarHBondContact OD1-N 3.27Å; A108-Q111 PolarHBondContact O-N 2.96Å; A108-Q112 PolarHBondContact O-N 3.24Å |
| 109 | Y | 49.4 | Very low | 47.7 | Very low | 132 Ų | 132 | 97.1 Ų | 97.1 | 52% | 0.518 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 176.3 | -171.5 | -95.7 | 0 | 0 | 0 | 111.3 | N105 Q112 Q113 | N105-Y109 PolarHBondContact O-N 2.84Å; Y109-Q112 PolarHBondContact O-N 2.97Å; Y109-Q113 PolarHBondContact O-N 3.32Å; Y109-Q113 VanDerWaalsContact O-N 3.08Å; Y109-Q113 PolarHBondContact OH-NE2 3.48Å |
| 110 | L | 51.5 | Low | 48.2 | Very low | 51 Ų | 51 | 98.1 Ų | 98.1 | 27% | 0.267 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 176.6 | -89.4 | -84.1 | 0 | 0 | 0 | 111.7 | P106 Q112 Q113 V114 | P106-L110 PolarHBondContact O-N 3.32Å; L110-Q112 PolarHBondContact O-N 3Å; L110-Q113 PolarHBondContact O-N 3.21Å; L110-V114 WeakPolarHBondContact O-CB 3.4Å; L110-V114 WeakPolarHBondContact O-CG2 3.3Å; L110-V114 PolarHBondContact O-N 3Å |
| 111 | Q | 54.8 | Low | 48.7 | Very low | 100 Ų | 100 | 91.3 Ų | 91.3 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 176.1 | -82.5 | -163.2 | 75.9 | 0 | 0 | 112.6 | V107 A108 V114 L115 L122 | V107-Q111 WeakPolarHBondContact O-CB 3.21Å; V107-Q111 WeakPolarHBondContact O-CG 3.44Å; V107-Q111 PolarHBondContact O-N 3.44Å; A108-Q111 PolarHBondContact O-N 2.96Å; Q111-V114 PolarHBondContact O-N 2.89Å; Q111-L115 WeakPolarHBondContact O-CB 3.28Å; Q111-L115 PolarHBondContact O-N 3.11Å; Q111-L122 HydrophobicContact CB-CD1 4.41Å; Q111-L122 HydrophobicContact CG-CD1 4.18Å |
| 112 | Q | 56.1 | Low | 48.8 | Very low | 150 Ų | 150 | 88.3 Ų | 88.3 | 70% | 0.701 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.2 | -41.9 | 179.7 | -79.9 | -168.4 | 68.4 | 0 | 0 | 112.7 | A108 Y109 L110 V114 A116 | A108-Q112 PolarHBondContact O-N 3.24Å; Y109-Q112 PolarHBondContact O-N 2.97Å; L110-Q112 PolarHBondContact O-N 3Å; Q112-V114 VanDerWaalsContact C-N 3.32Å; Q112-V114 PolarHBondContact O-N 2.81Å; Q112-A116 PolarHBondContact O-N 3.3Å |
| 113 | Q | 55.3 | Low | 49.3 | Very low | 83 Ų | 83 | 83.5 Ų | 83.5 | 39% | 0.388 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -71.2 | -32.5 | -178.2 | -154.1 | 171.7 | 57.9 | 0 | 0 | 111.8 | Y109 L110 S117 | Y109-Q113 PolarHBondContact O-N 3.32Å; Y109-Q113 VanDerWaalsContact O-N 3.08Å; Y109-Q113 PolarHBondContact OH-NE2 3.48Å; L110-Q113 PolarHBondContact O-N 3.21Å; Q113-S117 PolarHBondContact O-OG 3.5Å |
| 114 | V | 50.1 | Low | 49.9 | Very low | 21 Ų | 21 | 81.2 Ų | 81.2 | 13% | 0.127 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -78.9 | -36.7 | 179 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | L110 Q111 Q112 A116 S117 N118 A121 L122 V125 | L110-V114 WeakPolarHBondContact O-CB 3.4Å; L110-V114 WeakPolarHBondContact O-CG2 3.3Å; L110-V114 PolarHBondContact O-N 3Å; Q111-V114 PolarHBondContact O-N 2.89Å; Q112-V114 VanDerWaalsContact C-N 3.32Å; Q112-V114 PolarHBondContact O-N 2.81Å; V114-A116 VanDerWaalsContact C-N 3.27Å; V114-A116 PolarHBondContact O-N 3.39Å; V114-S117 PolarHBondContact O-N 3.21Å; V114-S117 VanDerWaalsContact O-N 3.15Å; V114-N118 PolarHBondContact O-N 3.39Å; V114-N118 VanDerWaalsContact O-N 3.09Å; V114-A121 HydrophobicContact CG1-CB 3.54Å; V114-A121 WeakPolarHBondContact CG1-O 3.42Å; V114-L122 HydrophobicContact CG1-CB 4.2Å; V114-L122 HydrophobicContact CG1-CD1 4.43Å; V114-L122 VanDerWaalsContact CG1-N 3.26Å; V114-V125 HydrophobicContact CB-CG2 4.49Å; V114-V125 HydrophobicContact CG1-CB 4.49Å; V114-V125 HydrophobicContact CG1-CG2 3.95Å; V114-V125 HydrophobicContact CG2-CG2 3.98Å |
| 115 | L | 50 | Low | 50.3 | Low | 112 Ų | 112 | 78.1 Ų | 78.1 | 59% | 0.586 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -61.3 | -35.1 | 173.6 | -166.9 | 73.6 | 0 | 0 | 0 | 112 | Q111 S117 L122 | Q111-L115 WeakPolarHBondContact O-CB 3.28Å; Q111-L115 PolarHBondContact O-N 3.11Å; L115-S117 VanDerWaalsContact C-N 3.32Å; L115-L122 HydrophobicContact CD1-CD2 3.68Å |
| 116 | A | 50.6 | Low | 50.6 | Low | 90 Ų | 90 | 76.6 Ų | 76.6 | 74% | 0.744 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -73.4 | -21.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q112 V114 | Q112-A116 PolarHBondContact O-N 3.3Å; V114-A116 VanDerWaalsContact C-N 3.27Å; V114-A116 PolarHBondContact O-N 3.39Å |
| 117 | S | 49.3 | Very low | 51.1 | Low | 95 Ų | 95 | 73.6 Ų | 73.6 | 66% | 0.664 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -105.1 | -38.5 | -168.2 | -53.4 | 0 | 0 | 0 | 0 | 113 | Q113 V114 L115 | Q113-S117 PolarHBondContact O-OG 3.5Å; V114-S117 PolarHBondContact O-N 3.21Å; V114-S117 VanDerWaalsContact O-N 3.15Å; L115-S117 VanDerWaalsContact C-N 3.32Å |
| 118 | N | 47.7 | Very low | 51.3 | Low | 71 Ų | 71 | 77.5 Ų | 77.5 | 38% | 0.38 | 44% | 0.437 | S | S | . | . | trans | -171 | 124.5 | 177.5 | -160.6 | -46.4 | 0 | 0 | 0 | 111.5 | V114 L120 A121 L122 | V114-N118 PolarHBondContact O-N 3.39Å; V114-N118 VanDerWaalsContact O-N 3.09Å; N118-L120 PolarHBondContact O-N 2.95Å; N118-L120 VanDerWaalsContact OD1-CB 3.23Å; N118-L120 WeakPolarHBondContact OD1-CB 3.42Å; N118-L120 PolarHBondContact OD1-N 3.42Å; N118-A121 HydrophobicContact CB-CB 3.89Å; N118-A121 WeakPolarHBondContact O-CA 3.47Å; N118-A121 WeakPolarHBondContact O-CB 3.41Å; N118-A121 PolarHBondContact O-N 2.96Å; N118-L122 PolarHBondContact O-N 3.42Å | ||
| 119 | P | 50 | Low | 51.8 | Low | 103 Ų | 103 | 79.4 Ų | 79.4 | 67% | 0.669 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.6 | -26.6 | 175.3 | 24.5 | -32.9 | 0 | 0 | 0 | 113.3 | A121 L122 A123 | P119-A121 VanDerWaalsContact C-N 3.28Å; P119-A121 PolarHBondContact O-N 2.83Å; P119-L122 PolarHBondContact O-N 2.96Å; P119-A123 PolarHBondContact O-N 3.18Å |
| 120 | L | 49.3 | Very low | 52.4 | Low | 118 Ų | 118 | 76.2 Ų | 76.2 | 62% | 0.618 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -67.8 | -30.8 | 171.6 | -66.6 | 163.3 | 0 | 0 | 0 | 111.8 | N118 L122 A123 N124 | N118-L120 PolarHBondContact O-N 2.95Å; N118-L120 VanDerWaalsContact OD1-CB 3.23Å; N118-L120 WeakPolarHBondContact OD1-CB 3.42Å; N118-L120 PolarHBondContact OD1-N 3.42Å; L120-L122 VanDerWaalsContact C-N 3.33Å; L120-A123 PolarHBondContact O-N 3.46Å; L120-N124 PolarHBondContact O-N 3.28Å; L120-N124 VanDerWaalsContact O-N 3.12Å; L120-N124 PolarHBondContact O-ND2 3.14Å |
| 121 | A | 49.9 | Very low | 52.9 | Low | 33 Ų | 33 | 75.2 Ų | 75.2 | 27% | 0.273 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -70.9 | -32.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V114 N118 P119 N124 V125 | V114-A121 HydrophobicContact CG1-CB 3.54Å; V114-A121 WeakPolarHBondContact CG1-O 3.42Å; N118-A121 HydrophobicContact CB-CB 3.89Å; N118-A121 WeakPolarHBondContact O-CA 3.47Å; N118-A121 WeakPolarHBondContact O-CB 3.41Å; N118-A121 PolarHBondContact O-N 2.96Å; P119-A121 VanDerWaalsContact C-N 3.28Å; P119-A121 PolarHBondContact O-N 2.83Å; A121-N124 PolarHBondContact O-N 3.5Å; A121-V125 WeakPolarHBondContact O-CB 3.23Å; A121-V125 VanDerWaalsContact O-CG2 3.28Å; A121-V125 WeakPolarHBondContact O-CG2 3.46Å; A121-V125 PolarHBondContact O-N 3.36Å |
| 122 | L | 44.6 | Very low | 53.4 | Low | 44 Ų | 44 | 75.3 Ų | 75.3 | 23% | 0.23 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 174.3 | -168.5 | 77.1 | 0 | 0 | 0 | 111.4 | Q111 V114 L115 N118 P119 L120 N124 V125 A126 | Q111-L122 HydrophobicContact CB-CD1 4.41Å; Q111-L122 HydrophobicContact CG-CD1 4.18Å; V114-L122 HydrophobicContact CG1-CB 4.2Å; V114-L122 HydrophobicContact CG1-CD1 4.43Å; V114-L122 VanDerWaalsContact CG1-N 3.26Å; L115-L122 HydrophobicContact CD1-CD2 3.68Å; N118-L122 PolarHBondContact O-N 3.42Å; P119-L122 PolarHBondContact O-N 2.96Å; L120-L122 VanDerWaalsContact C-N 3.33Å; L122-N124 VanDerWaalsContact C-N 3.28Å; L122-N124 PolarHBondContact O-N 3.05Å; L122-V125 PolarHBondContact O-N 2.94Å; L122-A126 WeakPolarHBondContact O-CB 3.42Å; L122-A126 PolarHBondContact O-N 3.15Å |
| 123 | A | 48.4 | Very low | 53.8 | Low | 44 Ų | 44 | 72.7 Ų | 72.7 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P119 L120 A127 | P119-A123 PolarHBondContact O-N 3.18Å; L120-A123 PolarHBondContact O-N 3.46Å; A123-A127 WeakPolarHBondContact O-CB 3.48Å; A123-A127 PolarHBondContact O-N 2.93Å |
| 124 | N | 53.4 | Low | 54 | Low | 82 Ų | 82 | 69.3 Ų | 69.3 | 44% | 0.439 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -71.1 | -34.8 | 177.4 | -71.9 | -18.1 | 0 | 0 | 0 | 113.1 | L120 A121 L122 A127 Y128 | L120-N124 PolarHBondContact O-N 3.28Å; L120-N124 VanDerWaalsContact O-N 3.12Å; L120-N124 PolarHBondContact O-ND2 3.14Å; A121-N124 PolarHBondContact O-N 3.5Å; L122-N124 VanDerWaalsContact C-N 3.28Å; L122-N124 PolarHBondContact O-N 3.05Å; N124-A127 PolarHBondContact O-N 3.46Å; N124-Y128 VanDerWaalsContact O-CB 3.3Å; N124-Y128 WeakPolarHBondContact O-CB 3.47Å; N124-Y128 PolarHBondContact O-N 2.96Å |
| 125 | V | 51.1 | Low | 54.5 | Low | 48 Ų | 48 | 72.5 Ų | 72.5 | 29% | 0.291 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -70.5 | -43.5 | 175.5 | 168.9 | 0 | 0 | 0 | 0 | 110.8 | V114 A121 L122 A127 Y128 Q129 | V114-V125 HydrophobicContact CB-CG2 4.49Å; V114-V125 HydrophobicContact CG1-CB 4.49Å; V114-V125 HydrophobicContact CG1-CG2 3.95Å; V114-V125 HydrophobicContact CG2-CG2 3.98Å; A121-V125 WeakPolarHBondContact O-CB 3.23Å; A121-V125 VanDerWaalsContact O-CG2 3.28Å; A121-V125 WeakPolarHBondContact O-CG2 3.46Å; A121-V125 PolarHBondContact O-N 3.36Å; L122-V125 PolarHBondContact O-N 2.94Å; V125-A127 VanDerWaalsContact C-N 3.31Å; V125-A127 PolarHBondContact O-N 3.37Å; V125-Y128 PolarHBondContact O-N 3.28Å; V125-Q129 WeakPolarHBondContact O-CB 3.34Å; V125-Q129 PolarHBondContact O-N 2.96Å |
| 126 | A | 54 | Low | 55.1 | Low | 60 Ų | 60 | 74.4 Ų | 74.4 | 50% | 0.496 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L122 Q129 Q130 | L122-A126 WeakPolarHBondContact O-CB 3.42Å; L122-A126 PolarHBondContact O-N 3.15Å; A126-Q129 PolarHBondContact O-N 3.23Å; A126-Q130 WeakPolarHBondContact O-CB 3.12Å; A126-Q130 PolarHBondContact O-N 3.36Å |
| 127 | A | 53.6 | Low | 55.5 | Low | 15 Ų | 15 | 75.1 Ų | 75.1 | 12% | 0.124 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A123 N124 V125 Q130 Q131 L173 | A123-A127 WeakPolarHBondContact O-CB 3.48Å; A123-A127 PolarHBondContact O-N 2.93Å; N124-A127 PolarHBondContact O-N 3.46Å; V125-A127 VanDerWaalsContact C-N 3.31Å; V125-A127 PolarHBondContact O-N 3.37Å; A127-Q130 PolarHBondContact O-N 3.05Å; A127-Q131 WeakPolarHBondContact O-CB 3.48Å; A127-Q131 PolarHBondContact O-N 3.42Å; A127-L173 HydrophobicContact CB-CD1 3.56Å; A127-L173 HydrophobicContact CB-CG 4.12Å |
| 128 | Y | 56.8 | Low | 56.1 | Low | 140 Ų | 140 | 72.5 Ų | 72.5 | 55% | 0.549 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.4 | -38.1 | 178.4 | -168.3 | -94.5 | 0 | 0 | 0 | 112.6 | N124 V125 Q131 Q132 | N124-Y128 VanDerWaalsContact O-CB 3.3Å; N124-Y128 WeakPolarHBondContact O-CB 3.47Å; N124-Y128 PolarHBondContact O-N 2.96Å; V125-Y128 PolarHBondContact O-N 3.28Å; Y128-Q131 WeakPolarHBondContact O-CB 3.47Å; Y128-Q131 PolarHBondContact O-N 2.87Å; Y128-Q132 HydrophobicContact CD1-CG 4.36Å; Y128-Q132 HydrophobicContact CE1-CG 4.02Å; Y128-Q132 PolarHBondContact O-N 3.45Å |
| 129 | Q | 62.5 | Low | 56.8 | Low | 75 Ų | 75 | 72.8 Ų | 72.8 | 35% | 0.35 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65 | -45.2 | 175.5 | -130.6 | -81.9 | 30 | 0 | 0 | 110.7 | V125 A126 Q131 Q132 Q133 | V125-Q129 WeakPolarHBondContact O-CB 3.34Å; V125-Q129 PolarHBondContact O-N 2.96Å; A126-Q129 PolarHBondContact O-N 3.23Å; Q129-Q131 VanDerWaalsContact C-N 3.25Å; Q129-Q131 PolarHBondContact O-N 3.31Å; Q129-Q132 WeakPolarHBondContact O-CB 3.41Å; Q129-Q132 PolarHBondContact O-N 3.31Å; Q129-Q132 VanDerWaalsContact O-N 3.11Å; Q129-Q133 PolarHBondContact O-N 2.95Å |
| 130 | Q | 61.8 | Low | 57.3 | Low | 65 Ų | 65 | 70.4 Ų | 70.4 | 30% | 0.304 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.8 | -40.7 | 174.4 | -161.2 | -85.6 | 10.1 | 0 | 0 | 110.9 | A126 A127 Q132 Q133 L134 | A126-Q130 WeakPolarHBondContact O-CB 3.12Å; A126-Q130 PolarHBondContact O-N 3.36Å; A127-Q130 PolarHBondContact O-N 3.05Å; Q130-Q132 PolarHBondContact O-N 3.32Å; Q130-Q133 PolarHBondContact O-N 3.03Å; Q130-L134 HydrophobicContact CG-CD2 4.43Å; Q130-L134 WeakPolarHBondContact O-CB 3.35Å; Q130-L134 WeakPolarHBondContact O-CD2 3.43Å; Q130-L134 PolarHBondContact O-N 2.95Å |
| 131 | Q | 61.9 | Low | 57.8 | Low | 30 Ų | 30 | 65.5 Ų | 65.5 | 14% | 0.14 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.3 | -40 | 175.9 | -166.9 | -140.1 | 63.8 | 0 | 0 | 112.8 | A127 Y128 Q129 L134 Q135 Q176 | A127-Q131 WeakPolarHBondContact O-CB 3.48Å; A127-Q131 PolarHBondContact O-N 3.42Å; Y128-Q131 WeakPolarHBondContact O-CB 3.47Å; Y128-Q131 PolarHBondContact O-N 2.87Å; Q129-Q131 VanDerWaalsContact C-N 3.25Å; Q129-Q131 PolarHBondContact O-N 3.31Å; Q131-L134 PolarHBondContact O-N 3.45Å; Q131-Q135 VanDerWaalsContact CD-NE2 3.31Å; Q131-Q135 PolarHBondContact O-N 2.79Å; Q131-Q135 PolarHBondContact O-NE2 3.4Å; Q131-Q176 VanDerWaalsContact NE2-CD 3.25Å |
| 132 | Q | 65.8 | Low | 58.1 | Low | 103 Ų | 103 | 65.7 Ų | 65.7 | 48% | 0.481 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.8 | -46.4 | 175.3 | -88.2 | -102 | 11.3 | 0 | 0 | 111.7 | Y128 Q129 Q130 L134 Q135 Q136 | Y128-Q132 HydrophobicContact CD1-CG 4.36Å; Y128-Q132 HydrophobicContact CE1-CG 4.02Å; Y128-Q132 PolarHBondContact O-N 3.45Å; Q129-Q132 WeakPolarHBondContact O-CB 3.41Å; Q129-Q132 PolarHBondContact O-N 3.31Å; Q129-Q132 VanDerWaalsContact O-N 3.11Å; Q130-Q132 PolarHBondContact O-N 3.32Å; Q132-L134 VanDerWaalsContact C-N 3.33Å; Q132-L134 PolarHBondContact O-N 3.36Å; Q132-Q135 PolarHBondContact O-N 2.97Å; Q132-Q136 PolarHBondContact O-N 3Å |
| 133 | Q | 63.6 | Low | 58.6 | Low | 94 Ų | 94 | 70 Ų | 70 | 44% | 0.439 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 173.5 | -84.4 | -166.1 | -24.8 | 0 | 0 | 111 | Q129 Q130 Q135 Q136 F137 | Q129-Q133 PolarHBondContact O-N 2.95Å; Q130-Q133 PolarHBondContact O-N 3.03Å; Q133-Q135 VanDerWaalsContact C-N 3.32Å; Q133-Q135 PolarHBondContact O-N 3.34Å; Q133-Q136 PolarHBondContact O-N 3.38Å; Q133-Q136 VanDerWaalsContact O-N 3.08Å; Q133-F137 HydrophobicContact CB-CD2 4.28Å; Q133-F137 WeakPolarHBondContact O-CB 3.27Å; Q133-F137 WeakPolarHBondContact O-CD2 3.12Å; Q133-F137 PolarHBondContact O-N 3.33Å |
| 134 | L | 60.7 | Low | 59 | Low | 13 Ų | 13 | 70.9 Ų | 70.9 | 7% | 0.068 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.4 | -40.4 | 179.2 | -91.7 | -86.1 | 0 | 0 | 0 | 112.1 | Q130 Q131 Q132 Q136 F137 L138 L159 L177 | Q130-L134 HydrophobicContact CG-CD2 4.43Å; Q130-L134 WeakPolarHBondContact O-CB 3.35Å; Q130-L134 WeakPolarHBondContact O-CD2 3.43Å; Q130-L134 PolarHBondContact O-N 2.95Å; Q131-L134 PolarHBondContact O-N 3.45Å; Q132-L134 VanDerWaalsContact C-N 3.33Å; Q132-L134 PolarHBondContact O-N 3.36Å; L134-Q136 VanDerWaalsContact C-N 3.35Å; L134-Q136 PolarHBondContact O-N 3.33Å; L134-F137 PolarHBondContact O-N 3.19Å; L134-L138 WeakPolarHBondContact O-CA 3.49Å; L134-L138 VanDerWaalsContact O-CB 3.31Å; L134-L138 WeakPolarHBondContact O-CB 3.37Å; L134-L138 VanDerWaalsContact O-CD1 3.26Å; L134-L138 WeakPolarHBondContact O-CD1 3.41Å; L134-L138 PolarHBondContact O-N 3.42Å; L134-L159 HydrophobicContact CD1-CD1 4.13Å; L134-L159 HydrophobicContact CD1-CD2 4.26Å; L134-L159 HydrophobicContact CD2-CD2 3.65Å; L134-L177 HydrophobicContact CD1-CD1 3.73Å; L134-L177 HydrophobicContact CG-CD1 4Å |
| 135 | Q | 60.7 | Low | 59.2 | Low | 88 Ų | 88 | 67.7 Ų | 67.7 | 41% | 0.411 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | 174.1 | -84.6 | 159.6 | 93.9 | 0 | 0 | 112.6 | Q131 Q132 Q133 P139 | Q131-Q135 VanDerWaalsContact CD-NE2 3.31Å; Q131-Q135 PolarHBondContact O-N 2.79Å; Q131-Q135 PolarHBondContact O-NE2 3.4Å; Q132-Q135 PolarHBondContact O-N 2.97Å; Q133-Q135 VanDerWaalsContact C-N 3.32Å; Q133-Q135 PolarHBondContact O-N 3.34Å; Q135-P139 WeakPolarHBondContact O-CD 3.29Å |
| 136 | Q | 61.3 | Low | 59.2 | Low | 152 Ų | 152 | 71.1 Ų | 71.1 | 71% | 0.71 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -72.5 | -34.4 | 177.7 | -162.4 | -174.4 | -9.1 | 0 | 0 | 112.3 | Q132 Q133 L134 P139 | Q132-Q136 PolarHBondContact O-N 3Å; Q133-Q136 PolarHBondContact O-N 3.38Å; Q133-Q136 VanDerWaalsContact O-N 3.08Å; L134-Q136 VanDerWaalsContact C-N 3.35Å; L134-Q136 PolarHBondContact O-N 3.33Å; Q136-P139 WeakPolarHBondContact O-CD 3.31Å |
| 137 | F | 60.1 | Low | 59.4 | Low | 104 Ų | 104 | 74.4 Ų | 74.4 | 46% | 0.456 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -84.7 | -16.7 | 178.2 | -80.4 | -76.6 | 0 | 0 | 0 | 113.3 | Q133 L134 A140 L141 | Q133-F137 HydrophobicContact CB-CD2 4.28Å; Q133-F137 WeakPolarHBondContact O-CB 3.27Å; Q133-F137 WeakPolarHBondContact O-CD2 3.12Å; Q133-F137 PolarHBondContact O-N 3.33Å; L134-F137 PolarHBondContact O-N 3.19Å; F137-A140 PolarHBondContact O-N 3.07Å; F137-A140 VanDerWaalsContact O-N 3.13Å; F137-L141 HydrophobicContact CB-CD1 4.34Å; F137-L141 WeakPolarHBondContact O-CB 3.37Å; F137-L141 PolarHBondContact O-N 3.03Å |
| 138 | L | 61.5 | Low | 59.8 | Low | 41 Ų | 41 | 77.1 Ų | 77.1 | 22% | 0.215 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -55.2 | -44.4 | -177.8 | -131.6 | 80.2 | 0 | 0 | 0 | 114.1 | L134 L141 S142 Q180 | L134-L138 WeakPolarHBondContact O-CA 3.49Å; L134-L138 VanDerWaalsContact O-CB 3.31Å; L134-L138 WeakPolarHBondContact O-CB 3.37Å; L134-L138 VanDerWaalsContact O-CD1 3.26Å; L134-L138 WeakPolarHBondContact O-CD1 3.41Å; L134-L138 PolarHBondContact O-N 3.42Å; L138-L141 PolarHBondContact O-N 3.29Å; L138-S142 WeakPolarHBondContact O-CB 3.1Å; L138-S142 PolarHBondContact O-N 3.25Å; L138-S142 PolarHBondContact O-OG 3.08Å; L138-Q180 HydrophobicContact CD1-CB 4.42Å; L138-Q180 HydrophobicContact CD2-CB 4.09Å; L138-Q180 HydrophobicContact CD2-CG 4.28Å |
| 139 | P | 61.6 | Low | 59.6 | Low | 77 Ų | 77 | 72.4 Ų | 72.4 | 50% | 0.5 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 176.8 | -19.8 | 32.1 | 0 | 0 | 0 | 112 | Q135 Q136 S142 Q143 | Q135-P139 WeakPolarHBondContact O-CD 3.29Å; Q136-P139 WeakPolarHBondContact O-CD 3.31Å; P139-S142 PolarHBondContact O-N 3.48Å; P139-Q143 WeakPolarHBondContact O-CG 3.44Å; P139-Q143 PolarHBondContact O-N 3.36Å; P139-Q143 VanDerWaalsContact O-N 3.08Å |
| 140 | A | 61 | Low | 59.3 | Low | 53 Ų | 53 | 72 Ų | 72 | 44% | 0.438 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F137 Q143 L144 | F137-A140 PolarHBondContact O-N 3.07Å; F137-A140 VanDerWaalsContact O-N 3.13Å; A140-Q143 PolarHBondContact O-N 3.5Å; A140-L144 WeakPolarHBondContact O-CB 3.48Å; A140-L144 PolarHBondContact O-N 3.49Å |
| 141 | L | 60.4 | Low | 59.2 | Low | 15 Ų | 15 | 70.4 Ų | 70.4 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 175.1 | -89.2 | 167.3 | 0 | 0 | 0 | 111.8 | F137 L138 L144 A145 Y152 Q155 L159 | F137-L141 HydrophobicContact CB-CD1 4.34Å; F137-L141 WeakPolarHBondContact O-CB 3.37Å; F137-L141 PolarHBondContact O-N 3.03Å; L138-L141 PolarHBondContact O-N 3.29Å; L141-L144 PolarHBondContact O-N 3.49Å; L141-A145 WeakPolarHBondContact O-CB 3.02Å; L141-A145 PolarHBondContact O-N 2.91Å; L141-Y152 HydrophobicContact CB-CD2 4.39Å; L141-Y152 HydrophobicContact CB-CE2 4.03Å; L141-Y152 HydrophobicContact CD2-CD2 3.67Å; L141-Y152 HydrophobicContact CD2-CE2 3.76Å; L141-Y152 HydrophobicContact CG-CE2 4.43Å; L141-Y152 WeakPolarHBondContact O-CD2 3.32Å; L141-Q155 HydrophobicContact CD2-CB 4.13Å; L141-L159 HydrophobicContact CD1-CD1 4.31Å |
| 142 | S | 56.2 | Low | 59 | Low | 36 Ų | 36 | 69.1 Ų | 69.1 | 25% | 0.252 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 176.7 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | L138 P139 A145 M146 | L138-S142 WeakPolarHBondContact O-CB 3.1Å; L138-S142 PolarHBondContact O-N 3.25Å; L138-S142 PolarHBondContact O-OG 3.08Å; P139-S142 PolarHBondContact O-N 3.48Å; S142-A145 PolarHBondContact O-N 3.37Å; S142-M146 WeakPolarHBondContact O-CG 3.3Å; S142-M146 PolarHBondContact O-N 3.28Å |
| 143 | Q | 54.6 | Low | 58.5 | Low | 136 Ų | 136 | 66.3 Ų | 66.3 | 64% | 0.636 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66 | -39.7 | 172 | -71.3 | -176.5 | 49.6 | 0 | 0 | 111.9 | P139 A140 A145 M146 V147 | P139-Q143 WeakPolarHBondContact O-CG 3.44Å; P139-Q143 PolarHBondContact O-N 3.36Å; P139-Q143 VanDerWaalsContact O-N 3.08Å; A140-Q143 PolarHBondContact O-N 3.5Å; Q143-A145 VanDerWaalsContact C-N 3.32Å; Q143-A145 PolarHBondContact O-N 2.82Å; Q143-M146 PolarHBondContact O-N 2.66Å; Q143-V147 WeakPolarHBondContact O-CG2 3.19Å; Q143-V147 PolarHBondContact O-N 2.86Å |
| 144 | L | 57.1 | Low | 58.3 | Low | 62 Ų | 62 | 68.2 Ų | 68.2 | 33% | 0.325 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 175.9 | -158.4 | 76 | 0 | 0 | 0 | 111.4 | A140 L141 M146 V147 N148 A151 Q155 | A140-L144 WeakPolarHBondContact O-CB 3.48Å; A140-L144 PolarHBondContact O-N 3.49Å; L141-L144 PolarHBondContact O-N 3.49Å; L144-M146 VanDerWaalsContact C-N 3.26Å; L144-M146 PolarHBondContact O-N 3.43Å; L144-V147 PolarHBondContact O-N 3.43Å; L144-N148 CarbonylContact O-C 3.16Å; L144-N148 WeakPolarHBondContact O-CA 3.46Å; L144-N148 PolarHBondContact O-N 2.88Å; L144-A151 HydrophobicContact CD2-CB 4.12Å; L144-A151 HydrophobicContact CG-CB 4.27Å; L144-Q155 HydrophobicContact CD2-CG 4.38Å |
| 145 | A | 56.4 | Low | 58.3 | Low | 14 Ų | 14 | 71.6 Ų | 71.6 | 12% | 0.116 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.6 | -32.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L141 S142 Q143 Y152 | L141-A145 WeakPolarHBondContact O-CB 3.02Å; L141-A145 PolarHBondContact O-N 2.91Å; S142-A145 PolarHBondContact O-N 3.37Å; Q143-A145 VanDerWaalsContact C-N 3.32Å; Q143-A145 PolarHBondContact O-N 2.82Å; A145-Y152 HydrophobicContact CB-CD1 3.93Å; A145-Y152 HydrophobicContact CB-CD2 3.92Å; A145-Y152 HydrophobicContact CB-CE1 4.23Å; A145-Y152 HydrophobicContact CB-CE2 4.27Å; A145-Y152 HydrophobicContact CB-CG 3.76Å |
| 146 | M | 52.2 | Low | 58.3 | Low | 121 Ų | 121 | 68 Ų | 68 | 60% | 0.596 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -76.4 | -39.8 | 176.8 | -67.9 | -120.2 | 68.7 | 0 | 0 | 113.2 | S142 Q143 L144 | S142-M146 WeakPolarHBondContact O-CG 3.3Å; S142-M146 PolarHBondContact O-N 3.28Å; Q143-M146 PolarHBondContact O-N 2.66Å; L144-M146 VanDerWaalsContact C-N 3.26Å; L144-M146 PolarHBondContact O-N 3.43Å |
| 147 | V | 58.7 | Low | 57.9 | Low | 128 Ų | 128 | 67 Ų | 67 | 78% | 0.776 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -87.5 | -36.6 | -174.5 | 179.4 | 0 | 0 | 0 | 0 | 112 | Q143 L144 | Q143-V147 WeakPolarHBondContact O-CG2 3.19Å; Q143-V147 PolarHBondContact O-N 2.86Å; L144-V147 PolarHBondContact O-N 3.43Å |
| 148 | N | 62.2 | Low | 57.6 | Low | 73 Ų | 73 | 67.6 Ų | 67.6 | 39% | 0.39 | 38% | 0.378 | S | S | . | . | trans | -150.6 | 85.5 | -177 | -169.4 | -21.2 | 0 | 0 | 0 | 111.1 | L144 A150 A151 Y152 | L144-N148 CarbonylContact O-C 3.16Å; L144-N148 WeakPolarHBondContact O-CA 3.46Å; L144-N148 PolarHBondContact O-N 2.88Å; N148-A150 PolarHBondContact O-N 3.47Å; N148-A150 VanDerWaalsContact O-N 3.14Å; N148-A150 WeakPolarHBondContact OD1-CB 3.19Å; N148-A150 PolarHBondContact OD1-N 2.95Å; N148-A150 VanDerWaalsContact OD1-N 3.16Å; N148-A151 HydrophobicContact CB-CB 3.93Å; N148-A151 PolarHBondContact O-N 3.5Å; N148-A151 PolarHBondContact OD1-N 3.45Å; N148-Y152 PolarHBondContact O-N 2.92Å; N148-Y152 VanDerWaalsContact O-N 3.14Å | ||
| 149 | P | 51.6 | Low | 57.2 | Low | 41 Ų | 41 | 68 Ų | 68 | 27% | 0.266 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.3 | -24.4 | 178.7 | 21.9 | -31.9 | 0 | 0 | 0 | 112.8 | L153 L188 | P149-L153 WeakPolarHBondContact O-CD2 3.46Å; P149-L153 WeakPolarHBondContact O-CG 3.28Å; P149-L153 PolarHBondContact O-N 2.71Å; P149-L188 HydrophobicContact CB-CD1 4.02Å |
| 150 | A | 56.6 | Low | 56.7 | Low | 67 Ų | 67 | 67.8 Ų | 67.8 | 55% | 0.554 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -72.5 | -36.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N148 L153 Q154 | N148-A150 PolarHBondContact O-N 3.47Å; N148-A150 VanDerWaalsContact O-N 3.14Å; N148-A150 WeakPolarHBondContact OD1-CB 3.19Å; N148-A150 PolarHBondContact OD1-N 2.95Å; N148-A150 VanDerWaalsContact OD1-N 3.16Å; A150-L153 PolarHBondContact O-N 3.39Å; A150-Q154 PolarHBondContact O-N 3.46Å |
| 151 | A | 59.6 | Low | 55.7 | Low | 31 Ų | 31 | 69.4 Ų | 69.4 | 26% | 0.256 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -71.2 | -35.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L144 N148 L153 Q154 Q155 | L144-A151 HydrophobicContact CD2-CB 4.12Å; L144-A151 HydrophobicContact CG-CB 4.27Å; N148-A151 HydrophobicContact CB-CB 3.93Å; N148-A151 PolarHBondContact O-N 3.5Å; N148-A151 PolarHBondContact OD1-N 3.45Å; A151-L153 PolarHBondContact O-N 2.8Å; A151-Q154 PolarHBondContact O-N 2.82Å; A151-Q155 PolarHBondContact O-N 2.85Å |
| 152 | Y | 58.4 | Low | 54.8 | Low | 3 Ų | 3 | 72.5 Ų | 72.5 | 1% | 0.012 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.4 | -38.2 | 172.2 | 178.8 | -114.7 | 0 | 0 | 0 | 112 | L141 A145 N148 Q155 Q156 | L141-Y152 HydrophobicContact CB-CD2 4.39Å; L141-Y152 HydrophobicContact CB-CE2 4.03Å; L141-Y152 HydrophobicContact CD2-CD2 3.67Å; L141-Y152 HydrophobicContact CD2-CE2 3.76Å; L141-Y152 HydrophobicContact CG-CE2 4.43Å; L141-Y152 WeakPolarHBondContact O-CD2 3.32Å; A145-Y152 HydrophobicContact CB-CD1 3.93Å; A145-Y152 HydrophobicContact CB-CD2 3.92Å; A145-Y152 HydrophobicContact CB-CE1 4.23Å; A145-Y152 HydrophobicContact CB-CE2 4.27Å; A145-Y152 HydrophobicContact CB-CG 3.76Å; N148-Y152 PolarHBondContact O-N 2.92Å; N148-Y152 VanDerWaalsContact O-N 3.14Å; Y152-Q155 PolarHBondContact O-N 2.78Å; Y152-Q156 VanDerWaalsContact CZ-NE2 3.27Å; Y152-Q156 PolarHBondContact O-N 3.27Å; Y152-Q156 PolarHBondContact OH-NE2 3.29Å |
| 153 | L | 53.5 | Low | 53.9 | Low | 44 Ų | 44 | 75.9 Ų | 75.9 | 23% | 0.23 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68.5 | -41.2 | -178.8 | -77.1 | -103 | 0 | 0 | 0 | 112 | P149 A150 A151 Q156 Q157 Q199 | P149-L153 WeakPolarHBondContact O-CD2 3.46Å; P149-L153 WeakPolarHBondContact O-CG 3.28Å; P149-L153 PolarHBondContact O-N 2.71Å; A150-L153 PolarHBondContact O-N 3.39Å; A151-L153 PolarHBondContact O-N 2.8Å; L153-Q156 PolarHBondContact O-N 3.32Å; L153-Q157 WeakPolarHBondContact O-CG 3.21Å; L153-Q157 PolarHBondContact O-N 3.33Å; L153-Q199 HydrophobicContact CD1-CG 4.29Å |
| 154 | Q | 60 | Low | 53.2 | Low | 133 Ų | 133 | 74.6 Ų | 74.6 | 62% | 0.621 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.5 | -46.3 | 173.9 | -80.7 | -91.3 | -7.7 | 0 | 0 | 111.6 | A150 A151 Q156 Q157 L158 | A150-Q154 PolarHBondContact O-N 3.46Å; A151-Q154 PolarHBondContact O-N 2.82Å; Q154-Q156 PolarHBondContact O-N 2.85Å; Q154-Q157 PolarHBondContact O-N 3.23Å; Q154-L158 PolarHBondContact O-N 2.98Å |
| 155 | Q | 61.7 | Low | 52.3 | Low | 84 Ų | 84 | 77.7 Ų | 77.7 | 39% | 0.393 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 177.6 | -87.1 | -92.4 | 65.6 | 0 | 0 | 112.5 | L141 L144 A151 Y152 L158 L159 | L141-Q155 HydrophobicContact CD2-CB 4.13Å; L144-Q155 HydrophobicContact CD2-CG 4.38Å; A151-Q155 PolarHBondContact O-N 2.85Å; Y152-Q155 PolarHBondContact O-N 2.78Å; Q155-L158 WeakPolarHBondContact O-CB 3.46Å; Q155-L158 PolarHBondContact O-N 3.19Å; Q155-L159 WeakPolarHBondContact O-CG 3.31Å; Q155-L159 PolarHBondContact O-N 2.58Å |
| 156 | Q | 59.2 | Low | 51.2 | Low | 12 Ų | 12 | 82.9 Ų | 82.9 | 6% | 0.056 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -71.4 | -32.6 | 179.1 | -117.8 | -155 | 68.6 | 0 | 0 | 113.3 | Y152 L153 Q154 L159 S160 I181 | Y152-Q156 VanDerWaalsContact CZ-NE2 3.27Å; Y152-Q156 PolarHBondContact O-N 3.27Å; Y152-Q156 PolarHBondContact OH-NE2 3.29Å; L153-Q156 PolarHBondContact O-N 3.32Å; Q154-Q156 PolarHBondContact O-N 2.85Å; Q156-L159 PolarHBondContact O-N 3.14Å; Q156-S160 PolarHBondContact O-N 3.49Å; Q156-S160 PolarHBondContact O-OG 2.94Å; Q156-I181 HydrophobicContact CG-CD1 4.17Å |
| 157 | Q | 54.5 | Low | 50.5 | Low | 131 Ų | 131 | 79.8 Ų | 79.8 | 61% | 0.612 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.6 | -41.9 | 172.8 | -76.8 | -170.8 | -7.8 | 0 | 0 | 111.3 | L153 Q154 L159 S160 S161 | L153-Q157 WeakPolarHBondContact O-CG 3.21Å; L153-Q157 PolarHBondContact O-N 3.33Å; Q154-Q157 PolarHBondContact O-N 3.23Å; Q157-L159 VanDerWaalsContact C-N 3.26Å; Q157-L159 PolarHBondContact O-N 3.43Å; Q157-S160 PolarHBondContact O-N 2.88Å; Q157-S161 WeakPolarHBondContact O-CB 3.3Å; Q157-S161 PolarHBondContact O-N 3.39Å; Q157-S161 PolarHBondContact O-OG 3.4Å |
| 158 | L | 53.5 | Low | 49.8 | Very low | 117 Ų | 117 | 80.9 Ų | 80.9 | 61% | 0.613 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -57.2 | -39.1 | 173.5 | -85.4 | 154.1 | 0 | 0 | 0 | 112.4 | Q154 Q155 | Q154-L158 PolarHBondContact O-N 2.98Å; Q155-L158 WeakPolarHBondContact O-CB 3.46Å; Q155-L158 PolarHBondContact O-N 3.19Å |
| 159 | L | 53.4 | Low | 48.8 | Very low | 51 Ų | 51 | 79.5 Ų | 79.5 | 27% | 0.267 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.4 | -34.9 | 177.7 | -70.9 | 164.2 | 0 | 0 | 0 | 113.3 | L134 L141 Q155 Q156 Q157 | L134-L159 HydrophobicContact CD1-CD1 4.13Å; L134-L159 HydrophobicContact CD1-CD2 4.26Å; L134-L159 HydrophobicContact CD2-CD2 3.65Å; L141-L159 HydrophobicContact CD1-CD1 4.31Å; Q155-L159 WeakPolarHBondContact O-CG 3.31Å; Q155-L159 PolarHBondContact O-N 2.58Å; Q156-L159 PolarHBondContact O-N 3.14Å; Q157-L159 VanDerWaalsContact C-N 3.26Å; Q157-L159 PolarHBondContact O-N 3.43Å |
| 160 | S | 50.2 | Low | 48.8 | Very low | 72 Ų | 72 | 80 Ų | 80 | 50% | 0.503 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -82.2 | -18.4 | -178.9 | -53.5 | 0 | 0 | 0 | 0 | 113.2 | Q156 Q157 S162 | Q156-S160 PolarHBondContact O-N 3.49Å; Q156-S160 PolarHBondContact O-OG 2.94Å; Q157-S160 PolarHBondContact O-N 2.88Å; S160-S162 VanDerWaalsContact C-N 3.26Å; S160-S162 PolarHBondContact O-N 3.33Å |
| 161 | S | 40 | Very low | 48.5 | Very low | 87 Ų | 87 | 80.3 Ų | 80.3 | 61% | 0.608 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | 5.5 | -174.7 | -58.4 | 0 | 0 | 0 | 0 | 114.2 | Q157 P163 | Q157-S161 WeakPolarHBondContact O-CB 3.3Å; Q157-S161 PolarHBondContact O-N 3.39Å; Q157-S161 PolarHBondContact O-OG 3.4Å; S161-P163 WeakPolarHBondContact O-CD 3.17Å |
| 162 | S | 40.6 | Very low | 48 | Very low | 80 Ų | 80 | 84.1 Ų | 84.1 | 56% | 0.559 | 49% | 0.487 | S | S | * | . | trans | -85 | 104.3 | 173.3 | -78.1 | 0 | 0 | 0 | 0 | 109.9 | S160 L164 | S160-S162 VanDerWaalsContact C-N 3.26Å; S160-S162 PolarHBondContact O-N 3.33Å; S162-L164 PolarHBondContact O-N 3.21Å | ||
| 163 | P | 37.6 | Very low | 47.7 | Very low | 107 Ų | 107 | 86.3 Ų | 86.3 | 70% | 0.695 | 50% | 0.498 | S | S | * | . | trans | -71 | 83.6 | 170.4 | 31.4 | -35.4 | 0 | 0 | 0 | 108.6 | S161 V165 | S161-P163 WeakPolarHBondContact O-CD 3.17Å; P163-V165 HydrophobicContact CB-CG2 3.91Å; P163-V165 PolarHBondContact O-N 3.26Å | ||
| 164 | L | 40 | Very low | 48 | Very low | 108 Ų | 108 | 86.8 Ų | 86.8 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | trans | -73.6 | 69.9 | 157.9 | -98.3 | 87 | 0 | 0 | 0 | 108.1 | S162 V166 | S162-L164 PolarHBondContact O-N 3.21Å; L164-V166 VanDerWaalsContact C-N 3.26Å; L164-V166 PolarHBondContact O-N 3.44Å | ||
| 165 | V | 39.6 | Very low | 47.9 | Very low | 128 Ų | 128 | 84.5 Ų | 84.5 | 78% | 0.776 | 49% | 0.489 | S | S | * | . | trans | -87.7 | 66.1 | 171.9 | 176.9 | 0 | 0 | 0 | 0 | 107.4 | P163 | P163-V165 HydrophobicContact CB-CG2 3.91Å; P163-V165 PolarHBondContact O-N 3.26Å | ||
| 166 | V | 32.9 | Very low | 47.9 | Very low | 123 Ų | 123 | 82.6 Ų | 82.6 | 75% | 0.745 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -150.6 | 111.3 | 167.2 | -171.8 | 0 | 0 | 0 | 0 | 110.1 | L164 | L164-V166 VanDerWaalsContact C-N 3.26Å; L164-V166 PolarHBondContact O-N 3.44Å |
| 167 | G | 37.7 | Very low | 48.1 | Very low | 55 Ų | 55 | 84.3 Ų | 84.3 | 57% | 0.567 | 49% | 0.489 | S | S | * | . | S | Bend | trans | 77.6 | 167.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | A169 P170 | G167-A169 PolarHBondContact O-N 3.11Å; G167-P170 WeakPolarHBondContact O-CD 3.13Å |
| 168 | N | 43.8 | Very low | 48.4 | Very low | 151 Ų | 151 | 78.3 Ų | 78.3 | 81% | 0.807 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -70.7 | 15.3 | -178 | -62.7 | -48.5 | 0 | 0 | 0 | 115 | P170 T171 | N168-P170 VanDerWaalsContact C-CD 3.41Å; N168-T171 PolarHBondContact O-OG1 2.85Å; N168-T171 VanDerWaalsContact O-OG1 3.12Å |
| 169 | A | 41.1 | Very low | 48.9 | Very low | 45 Ų | 45 | 78.6 Ų | 78.6 | 37% | 0.372 | 46% | 0.459 | S | S | . | . | trans | -76.9 | -27.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | G167 T171 | G167-A169 PolarHBondContact O-N 3.11Å; A169-T171 VanDerWaalsContact C-N 3.28Å; A169-T171 PolarHBondContact O-N 3.49Å | ||
| 170 | P | 52 | Low | 49.3 | Very low | 52 Ų | 52 | 78.4 Ų | 78.4 | 34% | 0.338 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -73.5 | -20.3 | -173.7 | 28.6 | -31.3 | 0 | 0 | 0 | 112.3 | G167 N168 Q174 | G167-P170 WeakPolarHBondContact O-CD 3.13Å; N168-P170 VanDerWaalsContact C-CD 3.41Å; P170-Q174 WeakPolarHBondContact O-CB 3.36Å; P170-Q174 PolarHBondContact O-N 3.15Å |
| 171 | T | 49.2 | Very low | 49.9 | Very low | 72 Ų | 72 | 75.6 Ų | 75.6 | 44% | 0.442 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.7 | -36 | 178.9 | 35.4 | 0 | 0 | 0 | 0 | 113.1 | N168 A169 Q175 | N168-T171 PolarHBondContact O-OG1 2.85Å; N168-T171 VanDerWaalsContact O-OG1 3.12Å; A169-T171 VanDerWaalsContact C-N 3.28Å; A169-T171 PolarHBondContact O-N 3.49Å; T171-Q175 WeakPolarHBondContact O-CB 3.41Å; T171-Q175 PolarHBondContact O-N 3.44Å; T171-Q175 VanDerWaalsContact O-N 3.14Å |
| 172 | Y | 49.3 | Very low | 51 | Low | 112 Ų | 112 | 73 Ų | 73 | 44% | 0.439 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -75.4 | -45.2 | 177.9 | -175.1 | -97.7 | 0 | 0 | 0 | 111.7 | Q174 Q175 Q176 | Y172-Q174 PolarHBondContact O-N 3.4Å; Y172-Q175 PolarHBondContact O-N 2.91Å; Y172-Q176 WeakPolarHBondContact O-CB 3.41Å; Y172-Q176 PolarHBondContact O-N 3.42Å |
| 173 | L | 53 | Low | 52.1 | Low | 48 Ų | 48 | 72.6 Ų | 72.6 | 25% | 0.251 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65 | -40.3 | 177.7 | -88.4 | -129.5 | 0 | 0 | 0 | 112.3 | A127 Q176 L177 | A127-L173 HydrophobicContact CB-CD1 3.56Å; A127-L173 HydrophobicContact CB-CG 4.12Å; L173-Q176 PolarHBondContact O-N 2.78Å; L173-L177 VanDerWaalsContact O-CB 3.23Å; L173-L177 WeakPolarHBondContact O-CB 3.35Å; L173-L177 PolarHBondContact O-N 3.3Å |
| 174 | Q | 58.1 | Low | 53.4 | Low | 54 Ų | 54 | 67.9 Ų | 67.9 | 25% | 0.252 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 176.4 | -176.8 | -114.5 | 106.2 | 0 | 0 | 111.1 | P170 Y172 L178 L206 | P170-Q174 WeakPolarHBondContact O-CB 3.36Å; P170-Q174 PolarHBondContact O-N 3.15Å; Y172-Q174 PolarHBondContact O-N 3.4Å; Q174-L178 HydrophobicContact CG-CD1 4.28Å; Q174-L178 WeakPolarHBondContact O-CB 3.33Å; Q174-L178 WeakPolarHBondContact O-CD1 3.31Å; Q174-L178 PolarHBondContact O-N 3.08Å; Q174-L206 HydrophobicContact CG-CD2 3.93Å; Q174-L206 VanDerWaalsContact OE1-CD1 3.23Å |
| 175 | Q | 58.5 | Low | 54.5 | Low | 86 Ų | 86 | 62.8 Ų | 62.8 | 40% | 0.402 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 171.6 | -90.7 | -158.1 | 92 | 0 | 0 | 112.6 | T171 Y172 L178 Q179 | T171-Q175 WeakPolarHBondContact O-CB 3.41Å; T171-Q175 PolarHBondContact O-N 3.44Å; T171-Q175 VanDerWaalsContact O-N 3.14Å; Y172-Q175 PolarHBondContact O-N 2.91Å; Q175-L178 WeakPolarHBondContact O-CB 3.41Å; Q175-L178 PolarHBondContact O-N 3.09Å; Q175-Q179 WeakPolarHBondContact O-CG 3.48Å; Q175-Q179 PolarHBondContact O-N 2.99Å |
| 176 | Q | 62.3 | Low | 55.7 | Low | 44 Ų | 44 | 58.9 Ų | 58.9 | 21% | 0.206 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.3 | -40.3 | -178.3 | -160.9 | -163.7 | -11.7 | 0 | 0 | 111.8 | Q131 Y172 L173 L178 Q179 Q180 | Q131-Q176 VanDerWaalsContact NE2-CD 3.25Å; Y172-Q176 WeakPolarHBondContact O-CB 3.41Å; Y172-Q176 PolarHBondContact O-N 3.42Å; L173-Q176 PolarHBondContact O-N 2.78Å; Q176-L178 VanDerWaalsContact C-N 3.3Å; Q176-L178 PolarHBondContact O-N 3.41Å; Q176-Q179 PolarHBondContact O-N 3.42Å; Q176-Q180 PolarHBondContact O-N 3.47Å; Q176-Q180 VanDerWaalsContact O-N 3.1Å |
| 177 | L | 62.3 | Low | 57.1 | Low | 47 Ų | 47 | 58.1 Ų | 58.1 | 25% | 0.246 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 173.9 | -170 | 110.8 | 0 | 0 | 0 | 109.7 | L134 L173 Q179 Q180 I181 | L134-L177 HydrophobicContact CD1-CD1 3.73Å; L134-L177 HydrophobicContact CG-CD1 4Å; L173-L177 VanDerWaalsContact O-CB 3.23Å; L173-L177 WeakPolarHBondContact O-CB 3.35Å; L173-L177 PolarHBondContact O-N 3.3Å; L177-Q179 PolarHBondContact O-N 3.25Å; L177-Q180 CarbonylContact O-C 3.59Å; L177-Q180 PolarHBondContact O-N 3.37Å; L177-Q180 VanDerWaalsContact O-N 3.13Å; L177-I181 HydrophobicContact CD2-CD1 4.05Å; L177-I181 HydrophobicContact CG-CD1 4.42Å; L177-I181 WeakPolarHBondContact O-CB 3.25Å; L177-I181 PolarHBondContact O-N 3.4Å |
| 178 | L | 61.7 | Low | 58.4 | Low | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.3 | -44.5 | 174.8 | -99.1 | 147.4 | 0 | 0 | 0 | 113.3 | Q174 Q175 Q176 Q180 I181 V182 F203 L206 Q217 L221 | Q174-L178 HydrophobicContact CG-CD1 4.28Å; Q174-L178 WeakPolarHBondContact O-CB 3.33Å; Q174-L178 WeakPolarHBondContact O-CD1 3.31Å; Q174-L178 PolarHBondContact O-N 3.08Å; Q175-L178 WeakPolarHBondContact O-CB 3.41Å; Q175-L178 PolarHBondContact O-N 3.09Å; Q176-L178 VanDerWaalsContact C-N 3.3Å; Q176-L178 PolarHBondContact O-N 3.41Å; L178-Q180 PolarHBondContact O-N 2.87Å; L178-I181 PolarHBondContact O-N 2.8Å; L178-I181 VanDerWaalsContact O-N 3.11Å; L178-V182 WeakPolarHBondContact O-CB 3.45Å; L178-V182 WeakPolarHBondContact O-CG2 3.15Å; L178-V182 PolarHBondContact O-N 3.48Å; L178-F203 HydrophobicContact CD1-CD1 3.94Å; L178-F203 HydrophobicContact CD1-CE1 3.91Å; L178-F203 HydrophobicContact CD2-CD1 3.83Å; L178-F203 HydrophobicContact CD2-CE1 3.5Å; L178-F203 HydrophobicContact CD2-CZ 4.06Å; L178-F203 HydrophobicContact CG-CD1 4.13Å; L178-F203 HydrophobicContact CG-CE1 3.67Å; L178-L206 HydrophobicContact CD1-CD1 4.19Å; L178-Q217 HydrophobicContact CD1-CG 4.28Å; L178-L221 HydrophobicContact CD2-CD1 3.78Å; L178-L221 HydrophobicContact CD2-CD2 3.64Å; L178-L221 HydrophobicContact CD2-CG 4.01Å |
| 179 | Q | 62.5 | Low | 59.3 | Low | 124 Ų | 124 | 49.1 Ų | 49.1 | 58% | 0.579 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.4 | -32.9 | 176 | -71.6 | -158.1 | 96.9 | 0 | 0 | 112.7 | Q175 Q176 L177 P183 | Q175-Q179 WeakPolarHBondContact O-CG 3.48Å; Q175-Q179 PolarHBondContact O-N 2.99Å; Q176-Q179 PolarHBondContact O-N 3.42Å; L177-Q179 PolarHBondContact O-N 3.25Å; Q179-P183 WeakPolarHBondContact O-CD 3.34Å |
| 180 | Q | 62.5 | Low | 60.4 | Low | 46 Ų | 46 | 52.7 Ų | 52.7 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -77.5 | -29.3 | 173.8 | -87.1 | -173.4 | 62.2 | 0 | 0 | 113.6 | L138 Q176 L177 L178 P183 | L138-Q180 HydrophobicContact CD1-CB 4.42Å; L138-Q180 HydrophobicContact CD2-CB 4.09Å; L138-Q180 HydrophobicContact CD2-CG 4.28Å; Q176-Q180 PolarHBondContact O-N 3.47Å; Q176-Q180 VanDerWaalsContact O-N 3.1Å; L177-Q180 CarbonylContact O-C 3.59Å; L177-Q180 PolarHBondContact O-N 3.37Å; L177-Q180 VanDerWaalsContact O-N 3.13Å; L178-Q180 PolarHBondContact O-N 2.87Å; Q180-P183 WeakPolarHBondContact O-CD 3.19Å |
| 181 | I | 62.6 | Low | 61 | Low | 13 Ų | 13 | 53.3 Ų | 53.3 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -85.8 | -27.1 | -177.6 | -114.9 | 165.6 | 0 | 0 | 0 | 111.8 | Q156 L177 L178 A184 L185 F203 | Q156-I181 HydrophobicContact CG-CD1 4.17Å; L177-I181 HydrophobicContact CD2-CD1 4.05Å; L177-I181 HydrophobicContact CG-CD1 4.42Å; L177-I181 WeakPolarHBondContact O-CB 3.25Å; L177-I181 PolarHBondContact O-N 3.4Å; L178-I181 PolarHBondContact O-N 2.8Å; L178-I181 VanDerWaalsContact O-N 3.11Å; I181-A184 WeakPolarHBondContact O-CB 3.34Å; I181-A184 PolarHBondContact O-N 2.97Å; I181-L185 HydrophobicContact CG2-CD1 3.39Å; I181-L185 HydrophobicContact CG2-CD2 4.45Å; I181-L185 HydrophobicContact CG2-CG 3.68Å; I181-L185 WeakPolarHBondContact O-CG 3.33Å; I181-L185 PolarHBondContact O-N 3.43Å; I181-F203 HydrophobicContact CG2-CZ 4.33Å |
| 182 | V | 63.4 | Low | 61.9 | Low | 33 Ų | 33 | 52.7 Ų | 52.7 | 20% | 0.2 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -51.8 | -44.6 | 179 | 162.6 | 0 | 0 | 0 | 0 | 112.9 | L178 A184 L185 T186 L221 | L178-V182 WeakPolarHBondContact O-CB 3.45Å; L178-V182 WeakPolarHBondContact O-CG2 3.15Å; L178-V182 PolarHBondContact O-N 3.48Å; V182-A184 PolarHBondContact O-N 3.05Å; V182-L185 PolarHBondContact O-N 3.04Å; V182-T186 WeakPolarHBondContact O-CB 3.48Å; V182-T186 PolarHBondContact O-N 3.25Å; V182-T186 PolarHBondContact O-OG1 3.32Å; V182-L221 HydrophobicContact CG2-CD2 3.96Å |
| 183 | P | 64.5 | Low | 62.5 | Low | 71 Ų | 71 | 49.6 Ų | 49.6 | 46% | 0.461 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 174.5 | -24.1 | 33.7 | 0 | 0 | 0 | 113.5 | Q179 Q180 T186 Q187 | Q179-P183 WeakPolarHBondContact O-CD 3.34Å; Q180-P183 WeakPolarHBondContact O-CD 3.19Å; P183-T186 WeakPolarHBondContact O-CB 3.47Å; P183-T186 PolarHBondContact O-N 3.49Å; P183-Q187 PolarHBondContact O-N 3.15Å; P183-Q187 VanDerWaalsContact O-N 3.07Å |
| 184 | A | 63.4 | Low | 63.2 | Low | 9 Ų | 9 | 50.2 Ų | 50.2 | 7% | 0.074 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.3 | -40.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I181 V182 T186 Q187 L188 | I181-A184 WeakPolarHBondContact O-CB 3.34Å; I181-A184 PolarHBondContact O-N 2.97Å; V182-A184 PolarHBondContact O-N 3.05Å; A184-T186 VanDerWaalsContact C-N 3.33Å; A184-Q187 PolarHBondContact O-N 3.38Å; A184-L188 PolarHBondContact O-N 3.48Å |
| 185 | L | 64.6 | Low | 63.5 | Low | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 172.6 | -67.8 | -178.6 | 0 | 0 | 0 | 110.8 | I181 V182 Q187 L188 A189 Y196 Q199 F203 L221 | I181-L185 HydrophobicContact CG2-CD1 3.39Å; I181-L185 HydrophobicContact CG2-CD2 4.45Å; I181-L185 HydrophobicContact CG2-CG 3.68Å; I181-L185 WeakPolarHBondContact O-CG 3.33Å; I181-L185 PolarHBondContact O-N 3.43Å; V182-L185 PolarHBondContact O-N 3.04Å; L185-Q187 VanDerWaalsContact C-N 3.32Å; L185-Q187 PolarHBondContact O-N 2.93Å; L185-L188 CarbonylContact O-C 3.52Å; L185-L188 WeakPolarHBondContact O-CA 3.37Å; L185-L188 WeakPolarHBondContact O-CB 3.3Å; L185-L188 PolarHBondContact O-N 3.23Å; L185-L188 VanDerWaalsContact O-N 3.08Å; L185-A189 PolarHBondContact O-N 2.86Å; L185-Y196 HydrophobicContact CB-CD2 4.37Å; L185-Y196 HydrophobicContact CB-CE2 3.71Å; L185-Y196 WeakPolarHBondContact O-CD2 3.48Å; L185-Y196 WeakPolarHBondContact O-CE2 3.25Å; L185-Q199 HydrophobicContact CD2-CB 4.35Å; L185-Q199 VanDerWaalsContact CD2-CD 3.41Å; L185-Q199 HydrophobicContact CD2-CG 4.23Å; L185-F203 HydrophobicContact CD1-CE2 4.22Å; L185-F203 HydrophobicContact CD1-CZ 4.4Å; L185-L221 HydrophobicContact CD1-CD2 3.68Å |
| 186 | T | 64.2 | Low | 63.9 | Low | 46 Ų | 46 | 44.5 Ų | 44.5 | 28% | 0.282 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 177.5 | -60 | 0 | 0 | 0 | 0 | 111.3 | V182 P183 A184 L188 A189 V190 P224 | V182-T186 WeakPolarHBondContact O-CB 3.48Å; V182-T186 PolarHBondContact O-N 3.25Å; V182-T186 PolarHBondContact O-OG1 3.32Å; P183-T186 WeakPolarHBondContact O-CB 3.47Å; P183-T186 PolarHBondContact O-N 3.49Å; A184-T186 VanDerWaalsContact C-N 3.33Å; T186-L188 VanDerWaalsContact C-N 3.32Å; T186-L188 PolarHBondContact O-N 3.28Å; T186-A189 WeakPolarHBondContact O-CB 3.46Å; T186-A189 PolarHBondContact O-N 3.09Å; T186-V190 WeakPolarHBondContact O-CG2 2.98Å; T186-V190 PolarHBondContact O-N 2.8Å; T186-P224 HydrophobicContact CG2-CB 3.61Å |
| 187 | Q | 62 | Low | 63.9 | Low | 107 Ų | 107 | 43.6 Ų | 43.6 | 50% | 0.5 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.1 | -37.1 | 173.8 | -68.9 | -165.6 | 55 | 0 | 0 | 112.2 | P183 A184 L185 A189 V190 A191 | P183-Q187 PolarHBondContact O-N 3.15Å; P183-Q187 VanDerWaalsContact O-N 3.07Å; A184-Q187 PolarHBondContact O-N 3.38Å; L185-Q187 VanDerWaalsContact C-N 3.32Å; L185-Q187 PolarHBondContact O-N 2.93Å; Q187-A189 VanDerWaalsContact C-N 3.35Å; Q187-V190 PolarHBondContact O-N 3.27Å; Q187-A191 WeakPolarHBondContact O-CB 3.45Å; Q187-A191 PolarHBondContact O-N 3.24Å |
| 188 | L | 64.4 | Low | 64 | Low | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.3 | -35.7 | 173.1 | -170 | 68.7 | 0 | 0 | 0 | 112.2 | P149 A184 L185 T186 V190 A191 N192 A195 | P149-L188 HydrophobicContact CB-CD1 4.02Å; A184-L188 PolarHBondContact O-N 3.48Å; L185-L188 CarbonylContact O-C 3.52Å; L185-L188 WeakPolarHBondContact O-CA 3.37Å; L185-L188 WeakPolarHBondContact O-CB 3.3Å; L185-L188 PolarHBondContact O-N 3.23Å; L185-L188 VanDerWaalsContact O-N 3.08Å; T186-L188 VanDerWaalsContact C-N 3.32Å; T186-L188 PolarHBondContact O-N 3.28Å; L188-V190 PolarHBondContact O-N 3.26Å; L188-A191 PolarHBondContact O-N 3.46Å; L188-N192 HydrophobicContact CD1-CB 4.31Å; L188-N192 CarbonylContact O-C 3.19Å; L188-N192 WeakPolarHBondContact O-CA 3.4Å; L188-N192 PolarHBondContact O-N 3.41Å; L188-N192 VanDerWaalsContact O-O 3.1Å; L188-A195 HydrophobicContact CD1-CB 4.3Å; L188-A195 HydrophobicContact CD2-CB 4.18Å; L188-A195 HydrophobicContact CG-CB 4.34Å |
| 189 | A | 64.2 | Low | 64.1 | Low | 11 Ų | 11 | 47.5 Ų | 47.5 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.3 | -38.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L185 T186 Q187 Y196 L225 | L185-A189 PolarHBondContact O-N 2.86Å; T186-A189 WeakPolarHBondContact O-CB 3.46Å; T186-A189 PolarHBondContact O-N 3.09Å; Q187-A189 VanDerWaalsContact C-N 3.35Å; A189-Y196 HydrophobicContact CB-CD1 4.35Å; A189-Y196 HydrophobicContact CB-CD2 3.52Å; A189-Y196 HydrophobicContact CB-CE2 3.75Å; A189-Y196 HydrophobicContact CB-CG 3.82Å; A189-L225 HydrophobicContact CB-CD2 4.36Å |
| 190 | V | 64.5 | Low | 64.1 | Low | 120 Ų | 120 | 42 Ų | 42 | 73% | 0.727 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -75.4 | -43.4 | 178.2 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | T186 Q187 L188 | T186-V190 WeakPolarHBondContact O-CG2 2.98Å; T186-V190 PolarHBondContact O-N 2.8Å; Q187-V190 PolarHBondContact O-N 3.27Å; L188-V190 PolarHBondContact O-N 3.26Å |
| 191 | A | 64.1 | Low | 64.1 | Low | 66 Ų | 66 | 44.6 Ų | 44.6 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -77.7 | -35.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q187 L188 | Q187-A191 WeakPolarHBondContact O-CB 3.45Å; Q187-A191 PolarHBondContact O-N 3.24Å; L188-A191 PolarHBondContact O-N 3.46Å |
| 192 | N | 68.2 | Low | 63.8 | Low | 59 Ų | 59 | 47.4 Ų | 47.4 | 32% | 0.316 | 29% | 0.285 | S | S | . | . | trans | -154.9 | 85.1 | -176 | -169.5 | -21.5 | 0 | 0 | 0 | 111.4 | L188 A194 A195 Y196 | L188-N192 HydrophobicContact CD1-CB 4.31Å; L188-N192 CarbonylContact O-C 3.19Å; L188-N192 WeakPolarHBondContact O-CA 3.4Å; L188-N192 PolarHBondContact O-N 3.41Å; L188-N192 VanDerWaalsContact O-O 3.1Å; N192-A194 PolarHBondContact O-N 3.12Å; N192-A194 PolarHBondContact OD1-N 3.48Å; N192-A195 HydrophobicContact CB-CB 3.95Å; N192-A195 VanDerWaalsContact CG-CB 3.49Å; N192-A195 PolarHBondContact O-N 2.96Å; N192-A195 VanDerWaalsContact O-N 3.12Å; N192-A195 PolarHBondContact OD1-N 3.39Å; N192-Y196 PolarHBondContact O-N 2.86Å; N192-Y196 VanDerWaalsContact O-N 3.11Å | ||
| 193 | P | 62.3 | Low | 63.5 | Low | 47 Ų | 47 | 47 Ų | 47 | 31% | 0.305 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.6 | -25.5 | -178.4 | 23.1 | -33.3 | 0 | 0 | 0 | 113.5 | L197 | P193-L197 PolarHBondContact O-N 3.12Å |
| 194 | A | 66 | Low | 62.9 | Low | 60 Ų | 60 | 45.8 Ų | 45.8 | 50% | 0.496 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.9 | -40.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N192 Y196 L197 Q198 | N192-A194 PolarHBondContact O-N 3.12Å; N192-A194 PolarHBondContact OD1-N 3.48Å; A194-Y196 VanDerWaalsContact C-N 3.33Å; A194-L197 PolarHBondContact O-N 2.78Å; A194-Q198 PolarHBondContact O-N 2.94Å |
| 195 | A | 65.5 | Low | 62.3 | Low | 18 Ų | 18 | 53.2 Ų | 53.2 | 15% | 0.149 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.8 | -35.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L188 N192 L197 Q198 Q199 | L188-A195 HydrophobicContact CD1-CB 4.3Å; L188-A195 HydrophobicContact CD2-CB 4.18Å; L188-A195 HydrophobicContact CG-CB 4.34Å; N192-A195 HydrophobicContact CB-CB 3.95Å; N192-A195 VanDerWaalsContact CG-CB 3.49Å; N192-A195 PolarHBondContact O-N 2.96Å; N192-A195 VanDerWaalsContact O-N 3.12Å; N192-A195 PolarHBondContact OD1-N 3.39Å; A195-L197 PolarHBondContact O-N 3.24Å; A195-Q198 PolarHBondContact O-N 2.83Å; A195-Q199 PolarHBondContact O-N 2.87Å |
| 196 | Y | 66.2 | Low | 61.7 | Low | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.5 | -45.3 | 175.7 | -172.7 | -96 | 0 | 0 | 0 | 113 | L185 A189 N192 A194 Q198 Q199 L200 L221 P224 L225 | L185-Y196 HydrophobicContact CB-CD2 4.37Å; L185-Y196 HydrophobicContact CB-CE2 3.71Å; L185-Y196 WeakPolarHBondContact O-CD2 3.48Å; L185-Y196 WeakPolarHBondContact O-CE2 3.25Å; A189-Y196 HydrophobicContact CB-CD1 4.35Å; A189-Y196 HydrophobicContact CB-CD2 3.52Å; A189-Y196 HydrophobicContact CB-CE2 3.75Å; A189-Y196 HydrophobicContact CB-CG 3.82Å; N192-Y196 PolarHBondContact O-N 2.86Å; N192-Y196 VanDerWaalsContact O-N 3.11Å; A194-Y196 VanDerWaalsContact C-N 3.33Å; Y196-Q198 VanDerWaalsContact C-N 3.32Å; Y196-Q198 PolarHBondContact O-N 3.46Å; Y196-Q199 WeakPolarHBondContact O-CB 2.75Å; Y196-Q199 PolarHBondContact O-N 3.25Å; Y196-L200 HydrophobicContact CD1-CD1 4.09Å; Y196-L200 HydrophobicContact CD1-CG 4.42Å; Y196-L200 HydrophobicContact CE1-CD1 3.68Å; Y196-L200 HydrophobicContact CE1-CD2 4.35Å; Y196-L200 HydrophobicContact CE1-CG 4.08Å; Y196-L200 PolarHBondContact O-N 3.37Å; Y196-L221 PolarHBondContact OH-O 2.81Å; Y196-P224 VanDerWaalsContact OH-CG 3.3Å; Y196-P224 WeakPolarHBondContact OH-CG 3.42Å; Y196-L225 HydrophobicContact CD1-CD1 3.84Å; Y196-L225 HydrophobicContact CD1-CD2 3.37Å; Y196-L225 HydrophobicContact CD1-CG 3.77Å; Y196-L225 HydrophobicContact CE1-CD1 3.46Å; Y196-L225 VanDerWaalsContact CE1-CD1 3.46Å; Y196-L225 HydrophobicContact CE1-CD2 3.54Å; Y196-L225 HydrophobicContact CE1-CG 3.37Å; Y196-L225 HydrophobicContact CG-CD2 4.25Å |
| 197 | L | 62.9 | Low | 60.9 | Low | 26 Ų | 26 | 57.9 Ų | 57.9 | 14% | 0.136 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 179.5 | -66.1 | -166.8 | 0 | 0 | 0 | 112.6 | P193 A194 A195 Q199 L200 L225 F235 | P193-L197 PolarHBondContact O-N 3.12Å; A194-L197 PolarHBondContact O-N 2.78Å; A195-L197 PolarHBondContact O-N 3.24Å; L197-Q199 PolarHBondContact O-N 3.33Å; L197-L200 HydrophobicContact CD2-CD1 4.29Å; L197-L200 PolarHBondContact O-N 3.14Å; L197-L225 HydrophobicContact CD2-CD1 4Å; L197-F235 HydrophobicContact CD1-CB 3.8Å; L197-F235 HydrophobicContact CD1-CD2 4.18Å; L197-F235 HydrophobicContact CD1-CG 3.95Å; L197-F235 HydrophobicContact CD2-CB 4.25Å; L197-F235 HydrophobicContact CD2-CD1 3.56Å; L197-F235 HydrophobicContact CD2-CD2 4.31Å; L197-F235 HydrophobicContact CD2-CE1 3.83Å; L197-F235 HydrophobicContact CD2-CG 3.79Å; L197-F235 HydrophobicContact CD2-CZ 4.35Å; L197-F235 HydrophobicContact CG-CG 4.39Å |
| 198 | Q | 64.9 | Low | 60.3 | Low | 126 Ų | 126 | 56.9 Ų | 56.9 | 59% | 0.589 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.7 | -28.6 | 174.4 | -64.7 | -74 | 67.4 | 0 | 0 | 111.9 | A194 A195 Y196 | A194-Q198 PolarHBondContact O-N 2.94Å; A195-Q198 PolarHBondContact O-N 2.83Å; Y196-Q198 VanDerWaalsContact C-N 3.32Å; Y196-Q198 PolarHBondContact O-N 3.46Å |
| 199 | Q | 63.1 | Low | 59.5 | Low | 7 Ų | 7 | 61.5 Ų | 61.5 | 3% | 0.033 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -78.8 | -19.9 | 179 | -121.8 | 175.8 | -5.8 | 0 | 0 | 114 | L153 L185 A195 Y196 L197 L201 P202 F203 | L153-Q199 HydrophobicContact CD1-CG 4.29Å; L185-Q199 HydrophobicContact CD2-CB 4.35Å; L185-Q199 VanDerWaalsContact CD2-CD 3.41Å; L185-Q199 HydrophobicContact CD2-CG 4.23Å; A195-Q199 PolarHBondContact O-N 2.87Å; Y196-Q199 WeakPolarHBondContact O-CB 2.75Å; Y196-Q199 PolarHBondContact O-N 3.25Å; L197-Q199 PolarHBondContact O-N 3.33Å; Q199-L201 VanDerWaalsContact C-N 3.33Å; Q199-P202 WeakPolarHBondContact O-CD 3.34Å; Q199-P202 WeakPolarHBondContact O-CG 3Å; Q199-F203 WeakPolarHBondContact O-CD2 3.37Å; Q199-F203 VanDerWaalsContact O-CE2 3.27Å; Q199-F203 WeakPolarHBondContact O-CE2 2.96Å |
| 200 | L | 63.4 | Low | 58.9 | Low | 9 Ų | 9 | 65.5 Ų | 65.5 | 5% | 0.047 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -76.4 | -19.5 | 177 | -70.5 | 176.9 | 0 | 0 | 0 | 113.6 | Y196 L197 F203 L221 L222 L225 F235 | Y196-L200 HydrophobicContact CD1-CD1 4.09Å; Y196-L200 HydrophobicContact CD1-CG 4.42Å; Y196-L200 HydrophobicContact CE1-CD1 3.68Å; Y196-L200 HydrophobicContact CE1-CD2 4.35Å; Y196-L200 HydrophobicContact CE1-CG 4.08Å; Y196-L200 PolarHBondContact O-N 3.37Å; L197-L200 HydrophobicContact CD2-CD1 4.29Å; L197-L200 PolarHBondContact O-N 3.14Å; L200-F203 PolarHBondContact O-N 3.22Å; L200-L221 HydrophobicContact CD2-CB 4.03Å; L200-L221 HydrophobicContact CD2-CD1 4.38Å; L200-L221 HydrophobicContact CD2-CD2 4.41Å; L200-L222 HydrophobicContact CD1-CD2 4.29Å; L200-L225 HydrophobicContact CD1-CD1 4.16Å; L200-F235 HydrophobicContact CB-CE1 4.29Å; L200-F235 HydrophobicContact CB-CZ 3.88Å; L200-F235 HydrophobicContact CD1-CD1 4.5Å; L200-F235 HydrophobicContact CD1-CE1 3.49Å; L200-F235 VanDerWaalsContact CD1-CE1 3.49Å; L200-F235 HydrophobicContact CD1-CZ 3.95Å |
| 201 | L | 61.6 | Low | 58.4 | Low | 101 Ų | 101 | 62.4 Ų | 62.4 | 53% | 0.529 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -52.3 | 179.1 | -95.4 | 144.8 | 0 | 0 | 0 | 114.5 | Q199 F203 N204 | Q199-L201 VanDerWaalsContact C-N 3.33Å; L201-F203 VanDerWaalsContact C-N 3.26Å; L201-F203 PolarHBondContact O-N 3.2Å; L201-N204 PolarHBondContact O-N 2.99Å |
| 202 | P | 56.1 | Low | 58 | Low | 72 Ų | 72 | 62.6 Ų | 62.6 | 47% | 0.468 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -66 | -25.5 | 179.4 | 20.7 | -30.9 | 0 | 0 | 0 | 113.6 | Q199 N204 Q205 | Q199-P202 WeakPolarHBondContact O-CD 3.34Å; Q199-P202 WeakPolarHBondContact O-CG 3Å; P202-N204 PolarHBondContact O-N 3.14Å; P202-Q205 PolarHBondContact O-N 3.23Å |
| 203 | F | 57.8 | Low | 57.4 | Low | 24 Ų | 24 | 61.1 Ų | 61.1 | 11% | 0.105 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -74.2 | -11.4 | 177 | -62.6 | -72.5 | 0 | 0 | 0 | 113.6 | L178 I181 L185 Q199 L200 L201 Q205 L206 L221 | L178-F203 HydrophobicContact CD1-CD1 3.94Å; L178-F203 HydrophobicContact CD1-CE1 3.91Å; L178-F203 HydrophobicContact CD2-CD1 3.83Å; L178-F203 HydrophobicContact CD2-CE1 3.5Å; L178-F203 HydrophobicContact CD2-CZ 4.06Å; L178-F203 HydrophobicContact CG-CD1 4.13Å; L178-F203 HydrophobicContact CG-CE1 3.67Å; I181-F203 HydrophobicContact CG2-CZ 4.33Å; L185-F203 HydrophobicContact CD1-CE2 4.22Å; L185-F203 HydrophobicContact CD1-CZ 4.4Å; Q199-F203 WeakPolarHBondContact O-CD2 3.37Å; Q199-F203 VanDerWaalsContact O-CE2 3.27Å; Q199-F203 WeakPolarHBondContact O-CE2 2.96Å; L200-F203 PolarHBondContact O-N 3.22Å; L201-F203 VanDerWaalsContact C-N 3.26Å; L201-F203 PolarHBondContact O-N 3.2Å; F203-Q205 PolarHBondContact O-N 3.2Å; F203-L206 HydrophobicContact CB-CD1 4.48Å; F203-L206 HydrophobicContact CD1-CD1 4.36Å; F203-L206 VanDerWaalsContact O-CG 3.31Å; F203-L206 WeakPolarHBondContact O-CG 3.33Å; F203-L221 HydrophobicContact CB-CD1 4.24Å; F203-L221 HydrophobicContact CG-CD1 4.21Å |
| 204 | N | 52.5 | Low | 57.2 | Low | 45 Ų | 45 | 60.3 Ų | 60.3 | 24% | 0.241 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -74.5 | -10.2 | 172 | -88.4 | -18.4 | 0 | 0 | 0 | 113.5 | L201 P202 Y214 Q239 | L201-N204 PolarHBondContact O-N 2.99Å; P202-N204 PolarHBondContact O-N 3.14Å; N204-Y214 PolarHBondContact OD1-OH 2.9Å; N204-Q239 PolarHBondContact ND2-OE1 3.31Å; N204-Q239 PolarHBondContact OD1-OE1 3.35Å; N204-Q239 VanDerWaalsContact OD1-OE1 3.06Å |
| 205 | Q | 49.1 | Very low | 57 | Low | 166 Ų | 166 | 61.3 Ų | 61.3 | 78% | 0.776 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -94 | 3.4 | -177.8 | -63.9 | -77.6 | 80.1 | 0 | 0 | 113.2 | P202 F203 T207 | P202-Q205 PolarHBondContact O-N 3.23Å; F203-Q205 PolarHBondContact O-N 3.2Å; Q205-T207 PolarHBondContact O-N 3.34Å; Q205-T207 VanDerWaalsContact O-N 3.14Å |
| 206 | L | 53 | Low | 57 | Low | 29 Ų | 29 | 66.3 Ų | 66.3 | 15% | 0.152 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -65.2 | 118.7 | -177.8 | -61.2 | 177.7 | 0 | 0 | 0 | 109.8 | Q174 L178 F203 V208 Y214 | Q174-L206 HydrophobicContact CG-CD2 3.93Å; Q174-L206 VanDerWaalsContact OE1-CD1 3.23Å; L178-L206 HydrophobicContact CD1-CD1 4.19Å; F203-L206 HydrophobicContact CB-CD1 4.48Å; F203-L206 HydrophobicContact CD1-CD1 4.36Å; F203-L206 VanDerWaalsContact O-CG 3.31Å; F203-L206 WeakPolarHBondContact O-CG 3.33Å; L206-V208 PolarHBondContact O-N 3.06Å; L206-Y214 HydrophobicContact CB-CD2 4.3Å; L206-Y214 HydrophobicContact CB-CE2 4.35Å |
| 207 | T | 47.1 | Very low | 56.9 | Low | 116 Ų | 116 | 67 Ų | 67 | 71% | 0.712 | 38% | 0.377 | S | S | * | . | trans | -50.1 | 123.1 | -177.2 | -53.1 | 0 | 0 | 0 | 0 | 110.7 | Q205 S209 | Q205-T207 PolarHBondContact O-N 3.34Å; Q205-T207 VanDerWaalsContact O-N 3.14Å; T207-S209 WeakPolarHBondContact CG2-OG 3.35Å; T207-S209 PolarHBondContact O-N 2.83Å | ||
| 208 | V | 50.4 | Low | 57 | Low | 85 Ų | 85 | 67.4 Ų | 67.4 | 52% | 0.515 | 38% | 0.377 | S | S | . | . | trans | -72.2 | 32.4 | -171.7 | -158.9 | 0 | 0 | 0 | 0 | 112.8 | L206 N210 | L206-V208 PolarHBondContact O-N 3.06Å; V208-N210 PolarHBondContact O-N 3.44Å | ||
| 209 | S | 46.4 | Very low | 57.1 | Low | 102 Ų | 102 | 67.3 Ų | 67.3 | 71% | 0.713 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -71.1 | -14.8 | -178.9 | -59.9 | 0 | 0 | 0 | 0 | 112.7 | T207 | T207-S209 WeakPolarHBondContact CG2-OG 3.35Å; T207-S209 PolarHBondContact O-N 2.83Å |
| 210 | N | 52.8 | Low | 57.3 | Low | 96 Ų | 96 | 71.1 Ų | 71.1 | 51% | 0.513 | 39% | 0.394 | S | S | . | . | trans | -141.5 | 89.2 | 174.9 | -168.2 | -28.8 | 0 | 0 | 0 | 111.1 | V208 A212 A213 Y214 | V208-N210 PolarHBondContact O-N 3.44Å; N210-A212 PolarHBondContact O-N 3.08Å; N210-A212 PolarHBondContact OD1-N 3.48Å; N210-A213 HydrophobicContact CB-CB 4.01Å; N210-A213 PolarHBondContact O-N 3.35Å; N210-A213 PolarHBondContact OD1-N 3.13Å; N210-A213 VanDerWaalsContact OD1-N 3.14Å; N210-Y214 PolarHBondContact O-N 3.44Å | ||
| 211 | S | 52.3 | Low | 57.3 | Low | 54 Ų | 54 | 71 Ų | 71 | 38% | 0.378 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56.6 | -32 | -177.6 | -51 | 0 | 0 | 0 | 0 | 113.6 | L215 | S211-L215 WeakPolarHBondContact O-CG 3.47Å; S211-L215 PolarHBondContact O-N 2.99Å |
| 212 | A | 55.9 | Low | 57.4 | Low | 71 Ų | 71 | 67.7 Ų | 67.7 | 59% | 0.587 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -74.2 | -44 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N210 L215 Q216 | N210-A212 PolarHBondContact O-N 3.08Å; N210-A212 PolarHBondContact OD1-N 3.48Å; A212-L215 PolarHBondContact O-N 3.09Å; A212-Q216 PolarHBondContact O-N 3.43Å; A212-Q216 VanDerWaalsContact O-N 3.11Å |
| 213 | A | 55.4 | Low | 57.8 | Low | 27 Ų | 27 | 70.1 Ų | 70.1 | 22% | 0.223 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | N210 L215 Q216 Q217 | N210-A213 HydrophobicContact CB-CB 4.01Å; N210-A213 PolarHBondContact O-N 3.35Å; N210-A213 PolarHBondContact OD1-N 3.13Å; N210-A213 VanDerWaalsContact OD1-N 3.14Å; A213-L215 PolarHBondContact O-N 3.42Å; A213-Q216 PolarHBondContact O-N 3.15Å; A213-Q217 WeakPolarHBondContact O-CB 3.16Å; A213-Q217 PolarHBondContact O-N 3.38Å |
| 214 | Y | 58.7 | Low | 57.9 | Low | 31 Ų | 31 | 70.3 Ų | 70.3 | 12% | 0.122 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 177.1 | 178.7 | -102.7 | 0 | 0 | 0 | 112.5 | N204 L206 N210 Q217 R218 | N204-Y214 PolarHBondContact OD1-OH 2.9Å; L206-Y214 HydrophobicContact CB-CD2 4.3Å; L206-Y214 HydrophobicContact CB-CE2 4.35Å; N210-Y214 PolarHBondContact O-N 3.44Å; Y214-Q217 PolarHBondContact O-N 3.3Å; Y214-R218 HydrophobicContact CE1-CG 4.05Å; Y214-R218 HydrophobicContact CE2-CG 4.38Å; Y214-R218 WeakPolarHBondContact O-CB 3.44Å; Y214-R218 PolarHBondContact O-N 3.48Å |
| 215 | L | 62.8 | Low | 58.1 | Low | 81 Ų | 81 | 68.7 Ų | 68.7 | 42% | 0.424 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.7 | -40.1 | 179.2 | -73.2 | -176.7 | 0 | 0 | 0 | 113.3 | S211 A212 A213 Q217 R218 Q219 | S211-L215 WeakPolarHBondContact O-CG 3.47Å; S211-L215 PolarHBondContact O-N 2.99Å; A212-L215 PolarHBondContact O-N 3.09Å; A213-L215 PolarHBondContact O-N 3.42Å; L215-Q217 VanDerWaalsContact C-N 3.34Å; L215-R218 PolarHBondContact O-N 3.07Å; L215-Q219 PolarHBondContact O-N 2.94Å |
| 216 | Q | 65.3 | Low | 58.5 | Low | 123 Ų | 123 | 65 Ų | 65 | 58% | 0.575 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60.5 | -45.8 | 172.5 | -92.5 | -105 | -64.4 | 0 | 0 | 111.2 | A212 A213 Q219 Q220 | A212-Q216 PolarHBondContact O-N 3.43Å; A212-Q216 VanDerWaalsContact O-N 3.11Å; A213-Q216 PolarHBondContact O-N 3.15Å; Q216-Q219 WeakPolarHBondContact O-CB 3.28Å; Q216-Q219 PolarHBondContact O-N 3.46Å; Q216-Q219 VanDerWaalsContact O-N 3.15Å; Q216-Q220 PolarHBondContact O-N 3.19Å |
| 217 | Q | 63.6 | Low | 58.5 | Low | 17 Ų | 17 | 68.4 Ų | 68.4 | 8% | 0.079 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66 | -41.5 | 179.8 | -169.9 | -152.2 | -37.3 | 0 | 0 | 111.8 | L178 A213 Y214 L215 Q219 Q220 L221 | L178-Q217 HydrophobicContact CD1-CG 4.28Å; A213-Q217 WeakPolarHBondContact O-CB 3.16Å; A213-Q217 PolarHBondContact O-N 3.38Å; Y214-Q217 PolarHBondContact O-N 3.3Å; L215-Q217 VanDerWaalsContact C-N 3.34Å; Q217-Q219 VanDerWaalsContact C-N 3.31Å; Q217-Q219 PolarHBondContact O-N 3.43Å; Q217-Q220 PolarHBondContact O-N 3.47Å; Q217-L221 WeakPolarHBondContact O-CB 2.94Å; Q217-L221 WeakPolarHBondContact O-CG 2.96Å; Q217-L221 PolarHBondContact O-N 3.26Å |
| 218 | R | 65.4 | Low | 58.8 | Low | 34 Ų | 34 | 69 Ų | 69 | 13% | 0.128 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -56.9 | -44.4 | 169.6 | -96.9 | -93.3 | -66.5 | -130 | -2.6 | 111.2 | Y214 L215 L221 L222 Q239 | Y214-R218 HydrophobicContact CE1-CG 4.05Å; Y214-R218 HydrophobicContact CE2-CG 4.38Å; Y214-R218 WeakPolarHBondContact O-CB 3.44Å; Y214-R218 PolarHBondContact O-N 3.48Å; L215-R218 PolarHBondContact O-N 3.07Å; R218-L221 PolarHBondContact O-N 2.81Å; R218-L222 HydrophobicContact CB-CD1 4.5Å; R218-L222 VanDerWaalsContact O-CB 3.31Å; R218-L222 WeakPolarHBondContact O-CB 3.23Å; R218-L222 VanDerWaalsContact O-CD1 3.29Å; R218-L222 WeakPolarHBondContact O-CD1 3.45Å; R218-L222 WeakPolarHBondContact O-CG 3.5Å; R218-L222 PolarHBondContact O-N 3.24Å; R218-Q239 VanDerWaalsContact NH1-CD 3.27Å; R218-Q239 PolarHBondContact NH1-O 3.1Å; R218-Q239 PolarHBondContact NH2-O 3.23Å |
| 219 | Q | 67 | Low | 59.2 | Low | 124 Ų | 124 | 66.7 Ų | 66.7 | 58% | 0.579 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.8 | -43.3 | 177.1 | -89.2 | 166.2 | 65.2 | 0 | 0 | 112.3 | L215 Q216 Q217 L221 L222 N223 | L215-Q219 PolarHBondContact O-N 2.94Å; Q216-Q219 WeakPolarHBondContact O-CB 3.28Å; Q216-Q219 PolarHBondContact O-N 3.46Å; Q216-Q219 VanDerWaalsContact O-N 3.15Å; Q217-Q219 VanDerWaalsContact C-N 3.31Å; Q217-Q219 PolarHBondContact O-N 3.43Å; Q219-L221 VanDerWaalsContact C-N 3.34Å; Q219-L221 PolarHBondContact O-N 2.93Å; Q219-L222 PolarHBondContact O-N 3.31Å; Q219-L222 VanDerWaalsContact O-N 3.14Å; Q219-N223 WeakPolarHBondContact O-CB 3.44Å; Q219-N223 PolarHBondContact O-N 3.07Å |
| 220 | Q | 66.2 | Low | 59.7 | Low | 87 Ų | 87 | 66.6 Ų | 66.6 | 41% | 0.407 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 176.9 | -72 | -178.1 | -27.7 | 0 | 0 | 112.4 | Q216 Q217 L222 P224 | Q216-Q220 PolarHBondContact O-N 3.19Å; Q217-Q220 PolarHBondContact O-N 3.47Å; Q220-L222 VanDerWaalsContact C-N 3.31Å; Q220-P224 WeakPolarHBondContact O-CD 3.31Å |
| 221 | L | 63.8 | Low | 60 | Low | 7 Ų | 7 | 67.3 Ų | 67.3 | 4% | 0.037 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -71.4 | -22.4 | 174.3 | -73.5 | 171.3 | 0 | 0 | 0 | 113.4 | L178 V182 L185 Y196 L200 F203 Q217 R218 Q219 | L178-L221 HydrophobicContact CD2-CD1 3.78Å; L178-L221 HydrophobicContact CD2-CD2 3.64Å; L178-L221 HydrophobicContact CD2-CG 4.01Å; V182-L221 HydrophobicContact CG2-CD2 3.96Å; L185-L221 HydrophobicContact CD1-CD2 3.68Å; Y196-L221 PolarHBondContact OH-O 2.81Å; L200-L221 HydrophobicContact CD2-CB 4.03Å; L200-L221 HydrophobicContact CD2-CD1 4.38Å; L200-L221 HydrophobicContact CD2-CD2 4.41Å; F203-L221 HydrophobicContact CB-CD1 4.24Å; F203-L221 HydrophobicContact CG-CD1 4.21Å; Q217-L221 WeakPolarHBondContact O-CB 2.94Å; Q217-L221 WeakPolarHBondContact O-CG 2.96Å; Q217-L221 PolarHBondContact O-N 3.26Å; R218-L221 PolarHBondContact O-N 2.81Å; Q219-L221 VanDerWaalsContact C-N 3.34Å; Q219-L221 PolarHBondContact O-N 2.93Å |
| 222 | L | 64.1 | Low | 60.3 | Low | 30 Ų | 30 | 65 Ų | 65 | 16% | 0.157 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -95.2 | -19.5 | 179.2 | -68.1 | 165.2 | 0 | 0 | 0 | 112.2 | L200 R218 Q219 Q220 L225 L236 | L200-L222 HydrophobicContact CD1-CD2 4.29Å; R218-L222 HydrophobicContact CB-CD1 4.5Å; R218-L222 VanDerWaalsContact O-CB 3.31Å; R218-L222 WeakPolarHBondContact O-CB 3.23Å; R218-L222 VanDerWaalsContact O-CD1 3.29Å; R218-L222 WeakPolarHBondContact O-CD1 3.45Å; R218-L222 WeakPolarHBondContact O-CG 3.5Å; R218-L222 PolarHBondContact O-N 3.24Å; Q219-L222 PolarHBondContact O-N 3.31Å; Q219-L222 VanDerWaalsContact O-N 3.14Å; Q220-L222 VanDerWaalsContact C-N 3.31Å; L222-L225 HydrophobicContact CD2-CD1 4.09Å; L222-L225 WeakPolarHBondContact O-CB 3.3Å; L222-L225 PolarHBondContact O-N 3.45Å; L222-L236 HydrophobicContact CD1-CD2 3.91Å; L222-L236 HydrophobicContact CD2-CD2 3.61Å; L222-L236 HydrophobicContact CG-CD2 4.22Å |
| 223 | N | 64.7 | Low | 60.5 | Low | 124 Ų | 124 | 66 Ų | 66 | 66% | 0.663 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -55.2 | -42.9 | -179.2 | -160.9 | 58.2 | 0 | 0 | 0 | 115 | Q219 L225 A226 | Q219-N223 WeakPolarHBondContact O-CB 3.44Å; Q219-N223 PolarHBondContact O-N 3.07Å; N223-L225 PolarHBondContact O-N 3.44Å; N223-A226 WeakPolarHBondContact O-CB 3.49Å; N223-A226 PolarHBondContact O-N 3.43Å |
| 224 | P | 58.7 | Low | 60.8 | Low | 27 Ų | 27 | 67.7 Ų | 67.7 | 18% | 0.175 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -70.8 | -11.5 | 178.7 | 28.3 | -35.1 | 0 | 0 | 0 | 113.6 | T186 Y196 Q220 A226 | T186-P224 HydrophobicContact CG2-CB 3.61Å; Y196-P224 VanDerWaalsContact OH-CG 3.3Å; Y196-P224 WeakPolarHBondContact OH-CG 3.42Å; Q220-P224 WeakPolarHBondContact O-CD 3.31Å; P224-A226 VanDerWaalsContact C-N 3.28Å; P224-A226 PolarHBondContact O-N 3.3Å |
| 225 | L | 57.7 | Low | 61 | Low | 12 Ų | 12 | 67.9 Ų | 67.9 | 6% | 0.063 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -84.8 | 8.4 | 175 | -67.5 | 176.7 | 0 | 0 | 0 | 113.6 | A189 Y196 L197 L200 L222 N223 V227 V232 | A189-L225 HydrophobicContact CB-CD2 4.36Å; Y196-L225 HydrophobicContact CD1-CD1 3.84Å; Y196-L225 HydrophobicContact CD1-CD2 3.37Å; Y196-L225 HydrophobicContact CD1-CG 3.77Å; Y196-L225 HydrophobicContact CE1-CD1 3.46Å; Y196-L225 VanDerWaalsContact CE1-CD1 3.46Å; Y196-L225 HydrophobicContact CE1-CD2 3.54Å; Y196-L225 HydrophobicContact CE1-CG 3.37Å; Y196-L225 HydrophobicContact CG-CD2 4.25Å; L197-L225 HydrophobicContact CD2-CD1 4Å; L200-L225 HydrophobicContact CD1-CD1 4.16Å; L222-L225 HydrophobicContact CD2-CD1 4.09Å; L222-L225 WeakPolarHBondContact O-CB 3.3Å; L222-L225 PolarHBondContact O-N 3.45Å; N223-L225 PolarHBondContact O-N 3.44Å; L225-V227 PolarHBondContact O-N 3.18Å; L225-V232 HydrophobicContact CB-CG1 3.7Å; L225-V232 HydrophobicContact CB-CG2 4.25Å; L225-V232 HydrophobicContact CD1-CG1 4.15Å; L225-V232 HydrophobicContact CD1-CG2 4.34Å; L225-V232 HydrophobicContact CD2-CG2 3.67Å; L225-V232 HydrophobicContact CG-CG1 4.39Å; L225-V232 HydrophobicContact CG-CG2 4.32Å |
| 226 | A | 56.7 | Low | 61.1 | Low | 88 Ų | 88 | 66.6 Ų | 66.6 | 73% | 0.727 | 38% | 0.382 | S | S | * | . | trans | -64.8 | 1.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | N223 P224 | N223-A226 WeakPolarHBondContact O-CB 3.49Å; N223-A226 PolarHBondContact O-N 3.43Å; P224-A226 VanDerWaalsContact C-N 3.28Å; P224-A226 PolarHBondContact O-N 3.3Å | ||
| 227 | V | 54.4 | Low | 61 | Low | 101 Ų | 101 | 67 Ų | 67 | 61% | 0.612 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -73.5 | 133.5 | 169.9 | -173.3 | 0 | 0 | 0 | 0 | 108.7 | L225 N229 | L225-V227 PolarHBondContact O-N 3.18Å; V227-N229 VanDerWaalsContact C-N 3.27Å; V227-N229 PolarHBondContact O-N 2.73Å |
| 228 | P | 51.9 | Low | 61.1 | Low | 127 Ų | 127 | 72 Ų | 72 | 83% | 0.825 | 41% | 0.407 | S | S | * | . | trans | -69.2 | 80.9 | -176.5 | 28.6 | -34.9 | 0 | 0 | 0 | 111.4 | ||||
| 229 | N | 59.6 | Low | 60.9 | Low | 37 Ų | 37 | 70.6 Ų | 70.6 | 20% | 0.198 | 40% | 0.402 | C | S | . | . | trans | -106.2 | 118.9 | 172.2 | -176.8 | -7.2 | 0 | 0 | 0 | 108.8 | V227 L231 V232 T233 | V227-N229 VanDerWaalsContact C-N 3.27Å; V227-N229 PolarHBondContact O-N 2.73Å; N229-L231 PolarHBondContact O-N 3.2Å; N229-L231 VanDerWaalsContact O-N 3.13Å; N229-L231 WeakPolarHBondContact OD1-CB 3.32Å; N229-L231 PolarHBondContact OD1-N 3.14Å; N229-L231 VanDerWaalsContact OD1-N 3.14Å; N229-V232 HydrophobicContact CB-CB 4.1Å; N229-V232 HydrophobicContact CB-CG2 3.78Å; N229-V232 WeakPolarHBondContact O-CA 3.47Å; N229-V232 VanDerWaalsContact O-CB 3.29Å; N229-V232 WeakPolarHBondContact O-CB 3.04Å; N229-V232 PolarHBondContact O-N 2.95Å; N229-T233 PolarHBondContact O-N 3.06Å; N229-T233 VanDerWaalsContact O-N 3.13Å; N229-T233 PolarHBondContact O-OG1 3.3Å | ||
| 230 | P | 56.9 | Low | 60.5 | Low | 101 Ų | 101 | 70.3 Ų | 70.3 | 66% | 0.656 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -59 | -28.1 | -178.9 | 22.8 | -33.6 | 0 | 0 | 0 | 113.3 | T233 A234 | P230-T233 PolarHBondContact O-N 3.41Å; P230-A234 PolarHBondContact O-N 2.81Å |
| 231 | L | 59.2 | Low | 59.8 | Low | 111 Ų | 111 | 71.3 Ų | 71.3 | 58% | 0.581 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.8 | -35.6 | 174 | -68.6 | 165.8 | 0 | 0 | 0 | 112.2 | N229 F235 | N229-L231 PolarHBondContact O-N 3.2Å; N229-L231 VanDerWaalsContact O-N 3.13Å; N229-L231 WeakPolarHBondContact OD1-CB 3.32Å; N229-L231 PolarHBondContact OD1-N 3.14Å; N229-L231 VanDerWaalsContact OD1-N 3.14Å; L231-F235 VanDerWaalsContact O-CB 3.3Å; L231-F235 WeakPolarHBondContact O-CB 3.29Å; L231-F235 PolarHBondContact O-N 2.83Å |
| 232 | V | 58.4 | Low | 59.3 | Low | 6 Ų | 6 | 74.8 Ų | 74.8 | 4% | 0.036 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.6 | -41.1 | 174.3 | 166.7 | 0 | 0 | 0 | 0 | 110.2 | L225 N229 F235 L236 | L225-V232 HydrophobicContact CB-CG1 3.7Å; L225-V232 HydrophobicContact CB-CG2 4.25Å; L225-V232 HydrophobicContact CD1-CG1 4.15Å; L225-V232 HydrophobicContact CD1-CG2 4.34Å; L225-V232 HydrophobicContact CD2-CG2 3.67Å; L225-V232 HydrophobicContact CG-CG1 4.39Å; L225-V232 HydrophobicContact CG-CG2 4.32Å; N229-V232 HydrophobicContact CB-CB 4.1Å; N229-V232 HydrophobicContact CB-CG2 3.78Å; N229-V232 WeakPolarHBondContact O-CA 3.47Å; N229-V232 VanDerWaalsContact O-CB 3.29Å; N229-V232 WeakPolarHBondContact O-CB 3.04Å; N229-V232 PolarHBondContact O-N 2.95Å; V232-F235 PolarHBondContact O-N 3.44Å; V232-L236 HydrophobicContact CG1-CD1 3.91Å; V232-L236 HydrophobicContact CG1-CG 4.29Å; V232-L236 VanDerWaalsContact O-CB 3.32Å; V232-L236 WeakPolarHBondContact O-CB 3.3Å; V232-L236 WeakPolarHBondContact O-CG 3.28Å; V232-L236 PolarHBondContact O-N 3.47Å |
| 233 | T | 59.9 | Low | 58.6 | Low | 91 Ų | 91 | 74.6 Ų | 74.6 | 56% | 0.558 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.5 | -44.5 | 176.8 | -49.6 | 0 | 0 | 0 | 0 | 111.3 | N229 P230 L236 Q237 | N229-T233 PolarHBondContact O-N 3.06Å; N229-T233 VanDerWaalsContact O-N 3.13Å; N229-T233 PolarHBondContact O-OG1 3.3Å; P230-T233 PolarHBondContact O-N 3.41Å; T233-L236 PolarHBondContact O-N 3.34Å; T233-Q237 WeakPolarHBondContact O-CB 3.48Å; T233-Q237 PolarHBondContact O-N 2.89Å |
| 234 | A | 61 | Low | 57.7 | Low | 63 Ų | 63 | 76.5 Ų | 76.5 | 52% | 0.521 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | P230 Q237 Q238 | P230-A234 PolarHBondContact O-N 2.81Å; A234-Q237 PolarHBondContact O-N 3.33Å; A234-Q238 PolarHBondContact O-N 3.17Å |
| 235 | F | 63.9 | Low | 56.8 | Low | 35 Ų | 35 | 79 Ų | 79 | 15% | 0.154 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.9 | -43 | 176.9 | -179.9 | -100.3 | 0 | 0 | 0 | 112.5 | L197 L200 L231 V232 Q237 Q238 Q239 | L197-F235 HydrophobicContact CD1-CB 3.8Å; L197-F235 HydrophobicContact CD1-CD2 4.18Å; L197-F235 HydrophobicContact CD1-CG 3.95Å; L197-F235 HydrophobicContact CD2-CB 4.25Å; L197-F235 HydrophobicContact CD2-CD1 3.56Å; L197-F235 HydrophobicContact CD2-CD2 4.31Å; L197-F235 HydrophobicContact CD2-CE1 3.83Å; L197-F235 HydrophobicContact CD2-CG 3.79Å; L197-F235 HydrophobicContact CD2-CZ 4.35Å; L197-F235 HydrophobicContact CG-CG 4.39Å; L200-F235 HydrophobicContact CB-CE1 4.29Å; L200-F235 HydrophobicContact CB-CZ 3.88Å; L200-F235 HydrophobicContact CD1-CD1 4.5Å; L200-F235 HydrophobicContact CD1-CE1 3.49Å; L200-F235 VanDerWaalsContact CD1-CE1 3.49Å; L200-F235 HydrophobicContact CD1-CZ 3.95Å; L231-F235 VanDerWaalsContact O-CB 3.3Å; L231-F235 WeakPolarHBondContact O-CB 3.29Å; L231-F235 PolarHBondContact O-N 2.83Å; V232-F235 PolarHBondContact O-N 3.44Å; F235-Q237 VanDerWaalsContact C-N 3.32Å; F235-Q237 PolarHBondContact O-N 3.3Å; F235-Q238 PolarHBondContact O-N 3.11Å; F235-Q239 HydrophobicContact CD1-CG 4.01Å; F235-Q239 HydrophobicContact CD2-CG 4.3Å; F235-Q239 HydrophobicContact CE1-CG 3.69Å; F235-Q239 HydrophobicContact CE2-CG 3.97Å; F235-Q239 HydrophobicContact CG-CG 4.32Å; F235-Q239 VanDerWaalsContact CZ-CD 3.45Å; F235-Q239 HydrophobicContact CZ-CG 3.66Å; F235-Q239 WeakPolarHBondContact O-CB 3.17Å; F235-Q239 VanDerWaalsContact O-CG 3.25Å; F235-Q239 WeakPolarHBondContact O-CG 3.36Å; F235-Q239 PolarHBondContact O-N 2.7Å |
| 236 | L | 63.8 | Low | 56.1 | Low | 54 Ų | 54 | 84.6 Ų | 84.6 | 28% | 0.283 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 174.2 | -81.8 | 174.1 | 0 | 0 | 0 | 111.6 | L222 V232 T233 Q239 Q240 | L222-L236 HydrophobicContact CD1-CD2 3.91Å; L222-L236 HydrophobicContact CD2-CD2 3.61Å; L222-L236 HydrophobicContact CG-CD2 4.22Å; V232-L236 HydrophobicContact CG1-CD1 3.91Å; V232-L236 HydrophobicContact CG1-CG 4.29Å; V232-L236 VanDerWaalsContact O-CB 3.32Å; V232-L236 WeakPolarHBondContact O-CB 3.3Å; V232-L236 WeakPolarHBondContact O-CG 3.28Å; V232-L236 PolarHBondContact O-N 3.47Å; T233-L236 PolarHBondContact O-N 3.34Å; L236-Q239 PolarHBondContact O-N 3.42Å; L236-Q240 WeakPolarHBondContact O-CB 3.29Å; L236-Q240 WeakPolarHBondContact O-CG 3.23Å; L236-Q240 PolarHBondContact O-N 2.99Å |
| 237 | Q | 64.7 | Low | 55.4 | Low | 132 Ų | 132 | 83.9 Ų | 83.9 | 62% | 0.617 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -66.3 | -42.5 | 177.6 | -149 | -143 | 59.5 | 0 | 0 | 111.2 | T233 A234 F235 Q240 L241 | T233-Q237 WeakPolarHBondContact O-CB 3.48Å; T233-Q237 PolarHBondContact O-N 2.89Å; A234-Q237 PolarHBondContact O-N 3.33Å; F235-Q237 VanDerWaalsContact C-N 3.32Å; F235-Q237 PolarHBondContact O-N 3.3Å; Q237-Q240 PolarHBondContact O-N 3.49Å; Q237-L241 PolarHBondContact O-N 3.47Å |
| 238 | Q | 64.4 | Low | 54.7 | Low | 120 Ų | 120 | 82 Ų | 82 | 56% | 0.561 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.4 | -40.2 | 175.5 | -148.4 | -138.5 | 85.3 | 0 | 0 | 111.8 | A234 F235 Q240 L241 L242 | A234-Q238 PolarHBondContact O-N 3.17Å; F235-Q238 PolarHBondContact O-N 3.11Å; Q238-Q240 VanDerWaalsContact C-N 3.32Å; Q238-Q240 PolarHBondContact O-N 2.76Å; Q238-L241 WeakPolarHBondContact O-CB 3.39Å; Q238-L241 PolarHBondContact O-N 2.84Å; Q238-L241 VanDerWaalsContact O-N 3.15Å; Q238-L242 WeakPolarHBondContact O-CD1 3.34Å; Q238-L242 PolarHBondContact O-N 3.3Å |
| 239 | Q | 61.6 | Low | 54.4 | Low | 5 Ų | 5 | 82.9 Ų | 82.9 | 2% | 0.023 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -74 | -17.4 | 178.1 | -78.4 | -125.3 | 91.5 | 0 | 0 | 114.5 | N204 R218 F235 L236 P243 | N204-Q239 PolarHBondContact ND2-OE1 3.31Å; N204-Q239 PolarHBondContact OD1-OE1 3.35Å; N204-Q239 VanDerWaalsContact OD1-OE1 3.06Å; R218-Q239 VanDerWaalsContact NH1-CD 3.27Å; R218-Q239 PolarHBondContact NH1-O 3.1Å; R218-Q239 PolarHBondContact NH2-O 3.23Å; F235-Q239 HydrophobicContact CD1-CG 4.01Å; F235-Q239 HydrophobicContact CD2-CG 4.3Å; F235-Q239 HydrophobicContact CE1-CG 3.69Å; F235-Q239 HydrophobicContact CE2-CG 3.97Å; F235-Q239 HydrophobicContact CG-CG 4.32Å; F235-Q239 VanDerWaalsContact CZ-CD 3.45Å; F235-Q239 HydrophobicContact CZ-CG 3.66Å; F235-Q239 WeakPolarHBondContact O-CB 3.17Å; F235-Q239 VanDerWaalsContact O-CG 3.25Å; F235-Q239 WeakPolarHBondContact O-CG 3.36Å; F235-Q239 PolarHBondContact O-N 2.7Å; L236-Q239 PolarHBondContact O-N 3.42Å; Q239-P243 WeakPolarHBondContact O-CD 3.35Å |
| 240 | Q | 58.7 | Low | 53.7 | Low | 118 Ų | 118 | 88.9 Ų | 88.9 | 55% | 0.551 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -74.3 | -33 | 167.8 | -81.5 | 179.3 | 16.2 | 0 | 0 | 110.5 | L236 Q237 Q238 P243 Y244 | L236-Q240 WeakPolarHBondContact O-CB 3.29Å; L236-Q240 WeakPolarHBondContact O-CG 3.23Å; L236-Q240 PolarHBondContact O-N 2.99Å; Q237-Q240 PolarHBondContact O-N 3.49Å; Q238-Q240 VanDerWaalsContact C-N 3.32Å; Q238-Q240 PolarHBondContact O-N 2.76Å; Q240-P243 WeakPolarHBondContact O-CD 3.21Å; Q240-P243 WeakPolarHBondContact O-CG 3.36Å; Q240-Y244 WeakPolarHBondContact O-CD2 3.28Å; Q240-Y244 VanDerWaalsContact O-CE2 3.28Å; Q240-Y244 WeakPolarHBondContact O-CE2 3.49Å |
| 241 | L | 51 | Low | 52.8 | Low | 108 Ų | 108 | 87.3 Ų | 87.3 | 57% | 0.565 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -71.4 | -37.2 | 179 | -71.4 | 158.7 | 0 | 0 | 0 | 113.2 | Q237 Q238 Y244 S245 | Q237-L241 PolarHBondContact O-N 3.47Å; Q238-L241 WeakPolarHBondContact O-CB 3.39Å; Q238-L241 PolarHBondContact O-N 2.84Å; Q238-L241 VanDerWaalsContact O-N 3.15Å; L241-Y244 PolarHBondContact O-N 2.88Å; L241-S245 PolarHBondContact O-OG 3.04Å |
| 242 | L | 54.4 | Low | 52 | Low | 80 Ų | 80 | 86.9 Ų | 86.9 | 42% | 0.419 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.4 | -45.5 | -176.8 | -93.1 | 81.6 | 0 | 0 | 0 | 116.4 | Q238 Y244 S245 | Q238-L242 WeakPolarHBondContact O-CD1 3.34Å; Q238-L242 PolarHBondContact O-N 3.3Å; L242-Y244 VanDerWaalsContact C-N 3.33Å; L242-Y244 PolarHBondContact O-N 3.34Å; L242-S245 PolarHBondContact O-N 2.9Å |
| 243 | P | 50.1 | Low | 51.5 | Low | 26 Ų | 26 | 89.9 Ų | 89.9 | 17% | 0.169 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -65.8 | -36.2 | -179.3 | 21.2 | -30.3 | 0 | 0 | 0 | 111.8 | Q239 Q240 S245 Q246 F247 | Q239-P243 WeakPolarHBondContact O-CD 3.35Å; Q240-P243 WeakPolarHBondContact O-CD 3.21Å; Q240-P243 WeakPolarHBondContact O-CG 3.36Å; P243-S245 VanDerWaalsContact C-N 3.27Å; P243-S245 PolarHBondContact O-N 3.44Å; P243-Q246 PolarHBondContact O-N 3.4Å; P243-F247 HydrophobicContact CB-CD2 4.02Å; P243-F247 HydrophobicContact CB-CE2 3.99Å; P243-F247 WeakPolarHBondContact O-CB 3.38Å; P243-F247 WeakPolarHBondContact O-CD2 3.23Å; P243-F247 PolarHBondContact O-N 2.89Å |
| 244 | Y | 43.9 | Very low | 50.9 | Low | 165 Ų | 165 | 89.6 Ų | 89.6 | 65% | 0.647 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.3 | -30.4 | -178.9 | -68.6 | -71.6 | 0 | 0 | 0 | 113.1 | Q240 L241 L242 S248 | Q240-Y244 WeakPolarHBondContact O-CD2 3.28Å; Q240-Y244 VanDerWaalsContact O-CE2 3.28Å; Q240-Y244 WeakPolarHBondContact O-CE2 3.49Å; L241-Y244 PolarHBondContact O-N 2.88Å; L242-Y244 VanDerWaalsContact C-N 3.33Å; L242-Y244 PolarHBondContact O-N 3.34Å; Y244-S248 VanDerWaalsContact O-CB 3.23Å; Y244-S248 WeakPolarHBondContact O-CB 3.32Å; Y244-S248 PolarHBondContact O-N 2.85Å; Y244-S248 PolarHBondContact O-OG 2.97Å |
| 245 | S | 41.5 | Very low | 50.3 | Low | 78 Ų | 78 | 88.8 Ų | 88.8 | 55% | 0.545 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.1 | -34.8 | 177.3 | -50 | 0 | 0 | 0 | 0 | 112.8 | L241 L242 P243 | L241-S245 PolarHBondContact O-OG 3.04Å; L242-S245 PolarHBondContact O-N 2.9Å; P243-S245 VanDerWaalsContact C-N 3.27Å; P243-S245 PolarHBondContact O-N 3.44Å |
| 246 | Q | 42.3 | Very low | 49.3 | Very low | 131 Ų | 131 | 97.8 Ų | 97.8 | 61% | 0.612 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -80.9 | -39.4 | 176.2 | -74.5 | -88.7 | -3.4 | 0 | 0 | 111.7 | P243 S248 L249 | P243-Q246 PolarHBondContact O-N 3.4Å; Q246-S248 VanDerWaalsContact C-N 3.31Å; Q246-S248 PolarHBondContact O-N 3.33Å; Q246-L249 PolarHBondContact O-N 3.5Å |
| 247 | F | 42.7 | Very low | 48.3 | Very low | 72 Ų | 72 | 102.7 Ų | 102.7 | 32% | 0.316 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.1 | -33 | 176.1 | -80.1 | -66.7 | 0 | 0 | 0 | 112.8 | P243 L249 N251 | P243-F247 HydrophobicContact CB-CD2 4.02Å; P243-F247 HydrophobicContact CB-CE2 3.99Å; P243-F247 WeakPolarHBondContact O-CB 3.38Å; P243-F247 WeakPolarHBondContact O-CD2 3.23Å; P243-F247 PolarHBondContact O-N 2.89Å; F247-L249 VanDerWaalsContact C-N 3.33Å; F247-L249 PolarHBondContact O-N 2.95Å; F247-N251 PolarHBondContact O-N 3.04Å |
| 248 | S | 40.1 | Very low | 47.2 | Very low | 62 Ų | 62 | 103.8 Ų | 103.8 | 43% | 0.434 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73.2 | -21.3 | 179.4 | -61.4 | 0 | 0 | 0 | 0 | 113.8 | Y244 Q246 | Y244-S248 VanDerWaalsContact O-CB 3.23Å; Y244-S248 WeakPolarHBondContact O-CB 3.32Å; Y244-S248 PolarHBondContact O-N 2.85Å; Y244-S248 PolarHBondContact O-OG 2.97Å; Q246-S248 VanDerWaalsContact C-N 3.31Å; Q246-S248 PolarHBondContact O-N 3.33Å |
| 249 | L | 44.1 | Very low | 46.1 | Very low | 145 Ų | 145 | 103.2 Ų | 103.2 | 76% | 0.759 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -81.8 | -26.6 | 178.8 | -79.1 | 165.2 | 0 | 0 | 0 | 113.3 | Q246 F247 | Q246-L249 PolarHBondContact O-N 3.5Å; F247-L249 VanDerWaalsContact C-N 3.33Å; F247-L249 PolarHBondContact O-N 2.95Å |
| 250 | M | 44.4 | Very low | 45.2 | Very low | 163 Ų | 163 | 110.8 Ų | 110.8 | 80% | 0.803 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -104.9 | -8.3 | -176.5 | -80.5 | 147.6 | 86.9 | 0 | 0 | 114.2 | ||
| 251 | N | 38.6 | Very low | 44.3 | Very low | 68 Ų | 68 | 111.4 Ų | 111.4 | 36% | 0.364 | 59% | 0.585 | S | S | . | * | trans | -143.9 | 93.4 | 175.9 | -162.2 | -23.5 | 0 | 0 | 0 | 112.1 | F247 A253 L254 | F247-N251 PolarHBondContact O-N 3.04Å; N251-A253 PolarHBondContact O-N 2.92Å; N251-A253 VanDerWaalsContact OD1-CB 3.23Å; N251-A253 WeakPolarHBondContact OD1-CB 3.45Å; N251-A253 PolarHBondContact OD1-N 3.42Å; N251-L254 HydrophobicContact CB-CD1 4.11Å; N251-L254 HydrophobicContact CB-CG 4.26Å; N251-L254 PolarHBondContact O-N 2.79Å; N251-L254 VanDerWaalsContact O-N 3.11Å | ||
| 252 | P | 42.8 | Very low | 43.6 | Very low | 102 Ų | 102 | 109.2 Ų | 109.2 | 66% | 0.662 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -3.4 | 176.8 | 27.6 | -33.9 | 0 | 0 | 0 | 113.5 | S255 | P252-S255 PolarHBondContact O-OG 3.35Š|
| 253 | A | 48.4 | Very low | 42.5 | Very low | 70 Ų | 70 | 108.5 Ų | 108.5 | 58% | 0.579 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -17.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N251 | N251-A253 PolarHBondContact O-N 2.92Å; N251-A253 VanDerWaalsContact OD1-CB 3.23Å; N251-A253 WeakPolarHBondContact OD1-CB 3.45Å; N251-A253 PolarHBondContact OD1-N 3.42Å |
| 254 | L | 47.6 | Very low | 41.6 | Very low | 85 Ų | 85 | 112.3 Ų | 112.3 | 45% | 0.445 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.5 | -13.2 | 178.1 | -68.2 | 176.8 | 0 | 0 | 0 | 113.5 | N251 W256 Q257 | N251-L254 HydrophobicContact CB-CD1 4.11Å; N251-L254 HydrophobicContact CB-CG 4.26Å; N251-L254 PolarHBondContact O-N 2.79Å; N251-L254 VanDerWaalsContact O-N 3.11Å; L254-W256 PolarHBondContact O-N 3.45Å; L254-Q257 PolarHBondContact O-N 3.03Å |
| 255 | S | 48 | Very low | 41.3 | Very low | 45 Ų | 45 | 111.3 Ų | 111.3 | 32% | 0.315 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.5 | -14.6 | 175.3 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | P252 Q258 | P252-S255 PolarHBondContact O-OG 3.35Å; S255-Q258 WeakPolarHBondContact O-CG 3.42Å |
| 256 | W | 41.5 | Very low | 41.2 | Very low | 224 Ų | 224 | 121 Ų | 121 | 85% | 0.848 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -4 | 179.9 | -68.1 | 100.1 | 0 | 0 | 0 | 114.6 | L254 Q258 | L254-W256 PolarHBondContact O-N 3.45Å; W256-Q258 VanDerWaalsContact C-N 3.32Å; W256-Q258 PolarHBondContact O-N 3.09Å |
| 257 | Q | 44.7 | Very low | 41.1 | Very low | 157 Ų | 157 | 120.5 Ų | 120.5 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | trans | -96.3 | 34 | 175 | -71.9 | -167.8 | -19.2 | 0 | 0 | 113 | L254 P259 | L254-Q257 PolarHBondContact O-N 3.03Å; Q257-P259 VanDerWaalsContact O-CD 3.29Å; Q257-P259 WeakPolarHBondContact O-CD 3.41Å | ||
| 258 | Q | 41.2 | Very low | 41.1 | Very low | 156 Ų | 156 | 123.1 Ų | 123.1 | 73% | 0.729 | 69% | 0.693 | S | S | * | * | trans | -58.1 | 122.6 | 174 | -58.8 | -169.6 | -0.8 | 0 | 0 | 109.4 | S255 W256 I260 | S255-Q258 WeakPolarHBondContact O-CG 3.42Å; W256-Q258 VanDerWaalsContact C-N 3.32Å; W256-Q258 PolarHBondContact O-N 3.09Å; Q258-I260 PolarHBondContact O-N 2.87Å | ||
| 259 | P | 41.3 | Very low | 41.1 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | trans | -63.3 | 119.5 | 152.9 | 27.3 | -26.6 | 0 | 0 | 0 | 105.3 | Q257 V261 | Q257-P259 VanDerWaalsContact O-CD 3.29Å; Q257-P259 WeakPolarHBondContact O-CD 3.41Å; P259-V261 PolarHBondContact O-N 2.71Å | ||
| 260 | I | 43 | Very low | 40.9 | Very low | 164 Ų | 164 | 125.4 Ų | 125.4 | 84% | 0.841 | 70% | 0.704 | S | S | * | * | trans | -60.9 | 86.8 | 168.8 | -59.8 | 168.6 | 0 | 0 | 0 | 106.2 | Q258 G262 | Q258-I260 PolarHBondContact O-N 2.87Å; I260-G262 PolarHBondContact O-N 2.92Å | ||
| 261 | V | 39.4 | Very low | 40.7 | Very low | 130 Ų | 130 | 123 Ų | 123 | 79% | 0.788 | 70% | 0.698 | S | S | * | * | trans | -84.2 | 84.5 | 160.4 | -179.3 | 0 | 0 | 0 | 0 | 104 | P259 G263 | P259-V261 PolarHBondContact O-N 2.71Å; V261-G263 PolarHBondContact O-N 3.43Å | ||
| 262 | G | 35.5 | Very low | 40.9 | Very low | 63 Ų | 63 | 126.7 Ų | 126.7 | 65% | 0.649 | 72% | 0.72 | S | S | * | * | trans | -51.8 | 114 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109 | I260 | I260-G262 PolarHBondContact O-N 2.92Š| ||
| 263 | G | 31.8 | Very low | 40.7 | Very low | 65 Ų | 65 | 128.4 Ų | 128.4 | 67% | 0.67 | 72% | 0.724 | S | S | * | * | trans | -60.6 | 134.7 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | V261 I265 | V261-G263 PolarHBondContact O-N 3.43Å; G263-I265 PolarHBondContact O-N 3.46Å | ||
| 264 | A | 30.6 | Very low | 40.1 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 87% | 0.868 | 74% | 0.736 | S | S | * | * | trans | -60.9 | 117.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 265 | I | 36.9 | Very low | 39.5 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | trans | -149.9 | 111 | 159.5 | 25.3 | 174.1 | 0 | 0 | 0 | 106.4 | G263 | G263-I265 PolarHBondContact O-N 3.46Š| ||
| 266 | F | 40.1 | Very low | 38.7 | Very low | 281 Ų | 281 | 145.3 Ų | 145.3 | 100% | 1.232 | 80% | 0.8 | S | S | * | * | trans | 79.2 | 0 | -176.3 | -54.7 | -75.9 | 0 | 0 | 0 | 117.4 |
Retrieved 266 of 266 residues in 857.7 ms
(Link to these results)