| 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 | 49.3 | Very low | 50.8 | Low | 224 Ų | 224 | 127.5 Ų | 127.5 | 100% | 1.103 | 70% | 0.695 | S | S | * | * | 0 | -13.1 | 0 | -123.3 | 164 | -165.7 | 0 | 0 | 112.8 | |||||
| 2 | E | 49.8 | Very low | 50.2 | Low | 159 Ų | 159 | 122.3 Ų | 122.3 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -73.7 | -30 | -179.4 | -79.1 | 170 | 132.1 | 0 | 0 | 115.8 | V4 N5 I6 | E2-V4 PolarHBondContact O-N 3.29Å; E2-N5 PolarHBondContact O-N 3.48Å; E2-N5 VanDerWaalsContact O-N 3.16Å; E2-I6 PolarHBondContact O-N 3.38Å |
| 3 | V | 43.1 | Very low | 50.1 | Low | 124 Ų | 124 | 126.3 Ų | 126.3 | 75% | 0.752 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -65.5 | -28.2 | -176.5 | -175.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 4 | V | 49.3 | Very low | 49.8 | Very low | 110 Ų | 110 | 121.9 Ų | 121.9 | 67% | 0.667 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -78.7 | -25.7 | 179.3 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | E2 | E2-V4 PolarHBondContact O-N 3.29Å |
| 5 | N | 59 | Low | 49.3 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 58% | 0.578 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -75.9 | -32.7 | 177 | -89.5 | 2 | 0 | 0 | 0 | 112.6 | E2 A7 K8 E9 | E2-N5 PolarHBondContact O-N 3.48Å; E2-N5 VanDerWaalsContact O-N 3.16Å; N5-A7 PolarHBondContact O-N 3.41Å; N5-K8 PolarHBondContact O-N 3.39Å; N5-K8 VanDerWaalsContact O-N 3.16Å; N5-E9 PolarHBondContact O-N 3Å |
| 6 | I | 58 | Low | 49.5 | Very low | 100 Ų | 100 | 126.3 Ų | 126.3 | 51% | 0.513 | 72% | 0.718 | S | S | . | * | H | α-helix | trans | -69.1 | -35.5 | 179.7 | -60.7 | 169.8 | 0 | 0 | 0 | 111.1 | E2 K8 E9 L10 | E2-I6 PolarHBondContact O-N 3.38Å; I6-K8 VanDerWaalsContact C-N 3.26Å; I6-K8 PolarHBondContact O-N 3.04Å; I6-E9 PolarHBondContact O-N 3.29Å; I6-L10 HydrophobicContact CG2-CD1 4.29Å; I6-L10 WeakPolarHBondContact O-CG 3.41Å; I6-L10 PolarHBondContact O-N 3.44Å |
| 7 | A | 46.4 | Very low | 49.4 | Very low | 69 Ų | 69 | 128.3 Ų | 128.3 | 57% | 0.57 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -67.9 | -27.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | N5 | N5-A7 PolarHBondContact O-N 3.41Å |
| 8 | K | 52.7 | Low | 49.3 | Very low | 153 Ų | 153 | 131.3 Ų | 131.3 | 67% | 0.665 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -81.1 | -32.7 | 178.2 | -138.3 | 176.8 | -177 | -176.1 | 0 | 112.4 | N5 I6 L10 | N5-K8 PolarHBondContact O-N 3.39Å; N5-K8 VanDerWaalsContact O-N 3.16Å; I6-K8 VanDerWaalsContact C-N 3.26Å; I6-K8 PolarHBondContact O-N 3.04Å; K8-L10 VanDerWaalsContact C-N 3.33Å |
| 9 | E | 57.3 | Low | 49.4 | Very low | 165 Ų | 165 | 131.6 Ų | 131.6 | 77% | 0.771 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -73.7 | -19.2 | 173.3 | -80.9 | -174.2 | 150.4 | 0 | 0 | 114 | N5 I6 G11 | N5-E9 PolarHBondContact O-N 3Å; I6-E9 PolarHBondContact O-N 3.29Å; E9-G11 PolarHBondContact O-N 2.83Å |
| 10 | L | 50.5 | Low | 49 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 13.9 | 178.3 | -72 | 170.9 | 0 | 0 | 0 | 114.5 | I6 K8 | I6-L10 HydrophobicContact CG2-CD1 4.29Å; I6-L10 WeakPolarHBondContact O-CG 3.41Å; I6-L10 PolarHBondContact O-N 3.44Å; K8-L10 VanDerWaalsContact C-N 3.33Å |
| 11 | G | 43.5 | Very low | 49 | Very low | 57 Ų | 57 | 134.7 Ų | 134.7 | 59% | 0.588 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.1 | 36.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | E9 E13 | E9-G11 PolarHBondContact O-N 2.83Å; G11-E13 VanDerWaalsContact C-N 3.27Å; G11-E13 PolarHBondContact O-N 3.34Å |
| 12 | G | 43.5 | Very low | 49.2 | Very low | 65 Ų | 65 | 130.6 Ų | 130.6 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 16.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 13 | E | 49.4 | Very low | 48.7 | Very low | 175 Ų | 175 | 132.1 Ų | 132.1 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 8.2 | -174.5 | -74.6 | 179.6 | 172.8 | 0 | 0 | 114.5 | G11 | G11-E13 VanDerWaalsContact C-N 3.27Å; G11-E13 PolarHBondContact O-N 3.34Å |
| 14 | G | 45.7 | Very low | 49.3 | Very low | 65 Ų | 65 | 134.2 Ų | 134.2 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -111.2 | 11.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 15 | F | 42.6 | Very low | 49 | Very low | 193 Ų | 193 | 137.3 Ų | 137.3 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -111.8 | 7.1 | -171.5 | -75.5 | -76.7 | 0 | 0 | 0 | 115.8 | ||
| 16 | S | 52.5 | Low | 48.6 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -95.2 | -4.6 | -175.8 | -84.7 | 0 | 0 | 0 | 0 | 116.2 | ||
| 17 | D | 46.9 | Very low | 47.9 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -114.4 | 20.1 | -172.4 | -84.4 | -5.7 | 0 | 0 | 0 | 114.9 | ||
| 18 | M | 47.8 | Very low | 48.1 | Very low | 182 Ų | 182 | 145.2 Ų | 145.2 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -113.2 | 18.3 | -178.4 | -94.7 | -166.9 | 80.7 | 0 | 0 | 114.8 | ||
| 19 | V | 51.2 | Low | 47.9 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -127.2 | 60.2 | 177 | -169.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 20 | E | 41.3 | Very low | 47.3 | Very low | 178 Ų | 178 | 140.4 Ų | 140.4 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -171 | 98.7 | 166.2 | -107.1 | 164.2 | -146.1 | 0 | 0 | 106 | ||||
| 21 | D | 50.1 | Low | 47.8 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | trans | 172.8 | 134.9 | 136.4 | -89.4 | -18.9 | 0 | 0 | 0 | 113.5 | ||||
| 22 | D | 52.3 | Low | 48.2 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 74% | 0.738 | 82% | 0.823 | S | S | * | * | trans | 88.4 | 80.7 | 150.1 | -62.5 | -17.3 | 0 | 0 | 0 | 121.7 | L24 | D22-L24 PolarHBondContact O-N 2.92Š| ||
| 23 | E | 39.7 | Very low | 49.1 | Very low | 190 Ų | 190 | 148.4 Ų | 148.4 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | -44.4 | 113.4 | 129.5 | -66.9 | -179.2 | 140 | 0 | 0 | 112.4 | |||||
| 24 | L | 55.8 | Low | 49.3 | Very low | 169 Ų | 169 | 147.9 Ų | 147.9 | 89% | 0.885 | 83% | 0.833 | S | S | * | * | trans | -143.9 | 114.2 | 147.6 | -82.2 | -176.5 | 0 | 0 | 0 | 111.1 | D22 | D22-L24 PolarHBondContact O-N 2.92Š| ||
| 25 | M | 44.1 | Very low | 50.2 | Low | 174 Ų | 174 | 150.6 Ų | 150.6 | 86% | 0.857 | 84% | 0.836 | S | S | * | * | trans | -65.9 | 139.2 | 170.2 | -66.4 | -113.4 | -94.9 | 0 | 0 | 111.3 | ||||
| 26 | Q | 50.4 | Low | 50.7 | Low | 200 Ų | 200 | 150.9 Ų | 150.9 | 94% | 0.935 | 84% | 0.843 | S | S | * | * | trans | -176.2 | 136.7 | 132.8 | -99.3 | 160.2 | 55.6 | 0 | 0 | 112.8 | ||||
| 27 | S | 42.4 | Very low | 50.8 | Low | 113 Ų | 113 | 153.1 Ų | 153.1 | 79% | 0.79 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 148.6 | -178.6 | -49.2 | 0 | 0 | 0 | 0 | 112.9 | ||
| 28 | P | 50 | Low | 50.7 | Low | 131 Ų | 131 | 152.9 Ų | 152.9 | 85% | 0.851 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 117.2 | 169.8 | 32.5 | -24.6 | 0 | 0 | 0 | 111.2 | ||
| 29 | T | 48.8 | Very low | 50.9 | Low | 139 Ų | 139 | 150.8 Ų | 150.8 | 85% | 0.853 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 129.3 | 160.6 | -39.8 | 0 | 0 | 0 | 0 | 107.8 | ||
| 30 | G | 44.5 | Very low | 50.4 | Low | 77 Ų | 77 | 151.1 Ų | 151.1 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -65 | 141.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 31 | S | 61.5 | Low | 50.5 | Low | 109 Ų | 109 | 147.2 Ų | 147.2 | 76% | 0.762 | 83% | 0.831 | S | S | * | * | trans | -157.2 | 111.1 | 165.3 | -176.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 32 | D | 52.2 | Low | 50.3 | Low | 159 Ų | 159 | 148.7 Ų | 148.7 | 85% | 0.85 | 83% | 0.833 | S | S | * | * | trans | -64 | 130.1 | 164.3 | -78.3 | -42.3 | 0 | 0 | 0 | 108.6 | ||||
| 33 | D | 62.5 | Low | 50.2 | Low | 156 Ų | 156 | 148.8 Ų | 148.8 | 83% | 0.834 | 83% | 0.833 | S | S | * | * | trans | -164.6 | 128.3 | 147.3 | -92.2 | -30.9 | 0 | 0 | 0 | 109.8 | V35 | D33-V35 PolarHBondContact O-N 3.35Š| ||
| 34 | D | 53.7 | Low | 50.7 | Low | 163 Ų | 163 | 142.3 Ų | 142.3 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -67.4 | 115.1 | -175.3 | -63 | -64.2 | 0 | 0 | 0 | 113.2 | ||||
| 35 | V | 64.5 | Low | 51.4 | Low | 122 Ų | 122 | 136.7 Ų | 136.7 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | trans | -147.2 | 107 | 152.5 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | D33 E37 | D33-V35 PolarHBondContact O-N 3.35Å; V35-E37 HydrophobicContact CG1-CG 4.45Å; V35-E37 PolarHBondContact O-N 3.19Å | ||
| 36 | M | 53.5 | Low | 52.3 | Low | 200 Ų | 200 | 134.8 Ų | 134.8 | 99% | 0.985 | 78% | 0.775 | S | S | * | * | trans | -75.8 | 94.6 | 166 | -71.5 | -77.9 | -73 | 0 | 0 | 107.8 | ||||
| 37 | E | 53 | Low | 53.3 | Low | 167 Ų | 167 | 132.4 Ų | 132.4 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | -92.1 | 122.5 | 169 | -121.5 | 173.5 | -173 | 0 | 0 | 109.3 | V35 T39 | V35-E37 HydrophobicContact CG1-CG 4.45Å; V35-E37 PolarHBondContact O-N 3.19Å; E37-T39 PolarHBondContact O-N 3.48Å; E37-T39 VanDerWaalsContact O-N 3.16Å | ||
| 38 | D | 44.7 | Very low | 54 | Low | 156 Ų | 156 | 130.7 Ų | 130.7 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | trans | -41.2 | 114.7 | 172 | -86.7 | -41 | 0 | 0 | 0 | 110.6 | D40 | D38-D40 PolarHBondContact O-N 3.3Å; D38-D40 VanDerWaalsContact O-N 3.09Å | ||
| 39 | T | 53.3 | Low | 54.5 | Low | 138 Ų | 138 | 128.6 Ų | 128.6 | 85% | 0.847 | 72% | 0.719 | S | S | * | * | trans | -78.8 | 97.2 | 172.7 | -51.1 | 0 | 0 | 0 | 0 | 107.8 | E37 A41 | E37-T39 PolarHBondContact O-N 3.48Å; E37-T39 VanDerWaalsContact O-N 3.16Å; T39-A41 PolarHBondContact O-N 2.97Å | ||
| 40 | D | 40.1 | Very low | 55.5 | Low | 144 Ų | 144 | 129 Ų | 129 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | trans | -42.6 | 134.8 | 172 | -76.5 | -45.6 | 0 | 0 | 0 | 112.2 | D38 Q42 | D38-D40 PolarHBondContact O-N 3.3Å; D38-D40 VanDerWaalsContact O-N 3.09Å; D40-Q42 PolarHBondContact O-N 3.16Å | ||
| 41 | A | 43.2 | Very low | 56.6 | Low | 95 Ų | 95 | 131 Ų | 131 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | trans | -42 | 106.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T39 I43 | T39-A41 PolarHBondContact O-N 2.97Å; A41-I43 PolarHBondContact O-N 2.97Å | ||
| 42 | Q | 45.8 | Very low | 56.1 | Low | 182 Ų | 182 | 127.3 Ų | 127.3 | 85% | 0.85 | 67% | 0.67 | S | S | * | * | trans | -71.5 | 101.9 | -175.9 | -158.1 | 165.3 | 30.9 | 0 | 0 | 109.1 | D40 | D40-Q42 PolarHBondContact O-N 3.16Š| ||
| 43 | I | 50 | Low | 56.9 | Low | 141 Ų | 141 | 122.6 Ų | 122.6 | 72% | 0.723 | 65% | 0.653 | S | S | * | * | trans | -43.4 | 132.3 | 168.2 | -63.5 | 170.6 | 0 | 0 | 0 | 108.1 | A41 S45 | A41-I43 PolarHBondContact O-N 2.97Å; I43-S45 PolarHBondContact O-N 3.38Å | ||
| 44 | P | 51.1 | Low | 57.3 | Low | 53 Ų | 53 | 117.7 Ų | 117.7 | 34% | 0.344 | 63% | 0.631 | S | S | . | * | trans | -52.7 | 112.1 | 177.2 | -21.7 | 30.3 | 0 | 0 | 0 | 108.6 | M48 | P44-M48 HydrophobicContact CB-CE 4.17Š| ||
| 45 | S | 69.7 | Low | 57.7 | Low | 51 Ų | 51 | 113.1 Ų | 113.1 | 36% | 0.357 | 61% | 0.606 | S | S | . | * | trans | -56 | 144.2 | -176 | 36.2 | 0 | 0 | 0 | 0 | 110.6 | I43 W47 M48 | I43-S45 PolarHBondContact O-N 3.38Å; S45-W47 PolarHBondContact O-N 3.01Å; S45-W47 PolarHBondContact OG-NE1 3.4Å; S45-M48 PolarHBondContact O-N 3.03Å | ||
| 46 | D | 64.1 | Low | 57.5 | Low | 135 Ų | 135 | 113.7 Ų | 113.7 | 72% | 0.722 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -49.8 | -31.1 | -172.7 | -75.4 | -24.1 | 0 | 0 | 0 | 113.6 | M48 L49 Q50 | D46-M48 VanDerWaalsContact C-N 3.35Å; D46-M48 PolarHBondContact O-N 2.77Å; D46-L49 PolarHBondContact O-N 3.22Å; D46-Q50 WeakPolarHBondContact O-CB 3.3Å; D46-Q50 PolarHBondContact O-N 3.07Å |
| 47 | W | 71.3 | Confident | 58.3 | Low | 150 Ų | 150 | 112.7 Ų | 112.7 | 57% | 0.568 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.2 | -33.4 | 177.1 | 81.5 | -89.1 | 0 | 0 | 0 | 113.5 | S45 K51 | S45-W47 PolarHBondContact O-N 3.01Å; S45-W47 PolarHBondContact OG-NE1 3.4Å; W47-K51 HydrophobicContact CZ3-CD 4.11Å; W47-K51 WeakPolarHBondContact O-CB 3.47Å; W47-K51 PolarHBondContact O-N 3.35Å |
| 48 | M | 55.8 | Low | 58.9 | Low | 76 Ų | 76 | 111.3 Ų | 111.3 | 37% | 0.374 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72.4 | -39.9 | 175.6 | -79.4 | -162.4 | -72.1 | 0 | 0 | 111.4 | P44 S45 D46 Q50 K51 L52 | P44-M48 HydrophobicContact CB-CE 4.17Å; S45-M48 PolarHBondContact O-N 3.03Å; D46-M48 VanDerWaalsContact C-N 3.35Å; D46-M48 PolarHBondContact O-N 2.77Å; M48-Q50 VanDerWaalsContact C-N 3.3Å; M48-K51 PolarHBondContact O-N 3.4Å; M48-L52 PolarHBondContact O-N 2.99Å |
| 49 | L | 61.3 | Low | 59.3 | Low | 87 Ų | 87 | 105.7 Ų | 105.7 | 46% | 0.455 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.1 | -41.1 | 172.7 | -76.3 | 169.3 | 0 | 0 | 0 | 110.9 | D46 K51 L52 A53 | D46-L49 PolarHBondContact O-N 3.22Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 2.9Å; L49-L52 WeakPolarHBondContact O-CB 3.48Å; L49-L52 PolarHBondContact O-N 3.47Å; L49-A53 WeakPolarHBondContact O-CB 3.49Å; L49-A53 PolarHBondContact O-N 3.45Å |
| 50 | Q | 68.8 | Low | 59.9 | Low | 147 Ų | 147 | 104.9 Ų | 104.9 | 69% | 0.687 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.3 | -37.9 | 175.8 | -159.1 | 178.3 | 14.1 | 0 | 0 | 112.1 | D46 M48 A53 S54 | D46-Q50 WeakPolarHBondContact O-CB 3.3Å; D46-Q50 PolarHBondContact O-N 3.07Å; M48-Q50 VanDerWaalsContact C-N 3.3Å; Q50-A53 PolarHBondContact O-N 2.85Å; Q50-S54 PolarHBondContact O-N 2.87Å |
| 51 | K | 68.1 | Low | 61.1 | Low | 121 Ų | 121 | 101.2 Ų | 101.2 | 53% | 0.526 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.4 | -35.6 | 175.9 | -165 | 165.9 | -172.7 | 169.8 | 0 | 112.9 | W47 M48 L49 S54 I55 | W47-K51 HydrophobicContact CZ3-CD 4.11Å; W47-K51 WeakPolarHBondContact O-CB 3.47Å; W47-K51 PolarHBondContact O-N 3.35Å; M48-K51 PolarHBondContact O-N 3.4Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 2.9Å; K51-S54 PolarHBondContact O-OG 3.43Å; K51-I55 VanDerWaalsContact O-CG1 3.31Å; K51-I55 WeakPolarHBondContact O-CG1 3.39Å; K51-I55 PolarHBondContact O-N 3.42Å; K51-I55 VanDerWaalsContact O-N 3.14Å |
| 52 | L | 51.9 | Low | 61.5 | Low | 31 Ų | 31 | 100.7 Ų | 100.7 | 16% | 0.162 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -63.1 | -48.7 | 169.2 | -95.1 | -175.8 | 0 | 0 | 0 | 111.4 | M48 L49 S54 I55 F56 V131 F135 | M48-L52 PolarHBondContact O-N 2.99Å; L49-L52 WeakPolarHBondContact O-CB 3.48Å; L49-L52 PolarHBondContact O-N 3.47Å; L52-S54 PolarHBondContact O-N 3.36Å; L52-I55 PolarHBondContact O-N 3.19Å; L52-I55 VanDerWaalsContact O-N 3.14Å; L52-F56 HydrophobicContact CD2-CD2 4.27Å; L52-F56 HydrophobicContact CD2-CE2 3.92Å; L52-F56 WeakPolarHBondContact O-CD2 3.36Å; L52-F56 PolarHBondContact O-N 3.25Å; L52-V131 HydrophobicContact CD2-CG1 3.5Å; L52-V131 VanDerWaalsContact CD2-CG1 3.5Å; L52-V131 HydrophobicContact CG-CG1 4.5Å; L52-F135 HydrophobicContact CD1-CD2 4.32Å; L52-F135 HydrophobicContact CD1-CE1 3.97Å; L52-F135 HydrophobicContact CD1-CE2 3.3Å; L52-F135 HydrophobicContact CD1-CZ 3.1Å; L52-F135 HydrophobicContact CD2-CE2 3.9Å; L52-F135 HydrophobicContact CD2-CZ 4.5Å; L52-F135 HydrophobicContact CG-CE2 3.73Å; L52-F135 HydrophobicContact CG-CZ 3.85Å |
| 53 | A | 69.1 | Low | 62.4 | Low | 59 Ų | 59 | 98.3 Ų | 98.3 | 49% | 0.488 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59 | -37.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111 | L49 Q50 R57 | L49-A53 WeakPolarHBondContact O-CB 3.49Å; L49-A53 PolarHBondContact O-N 3.45Å; Q50-A53 PolarHBondContact O-N 2.85Å; A53-R57 WeakPolarHBondContact O-CB 3.4Å; A53-R57 PolarHBondContact O-N 3Å |
| 54 | S | 70.6 | Confident | 63.1 | Low | 53 Ų | 53 | 96.4 Ų | 96.4 | 37% | 0.371 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.7 | -39.6 | 175.8 | 73.2 | 0 | 0 | 0 | 0 | 113 | Q50 K51 L52 R57 Q58 | Q50-S54 PolarHBondContact O-N 2.87Å; K51-S54 PolarHBondContact O-OG 3.43Å; L52-S54 PolarHBondContact O-N 3.36Å; S54-R57 PolarHBondContact O-N 3.43Å; S54-Q58 WeakPolarHBondContact O-CB 3.46Å; S54-Q58 WeakPolarHBondContact O-CG 3.34Å; S54-Q58 PolarHBondContact O-N 3.1Å |
| 55 | I | 61.6 | Low | 63.3 | Low | 68 Ų | 68 | 99.2 Ų | 99.2 | 35% | 0.349 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.4 | -46.2 | 175.1 | -66.7 | 166.4 | 0 | 0 | 0 | 110.9 | K51 L52 R57 Q58 A59 | K51-I55 VanDerWaalsContact O-CG1 3.31Å; K51-I55 WeakPolarHBondContact O-CG1 3.39Å; K51-I55 PolarHBondContact O-N 3.42Å; K51-I55 VanDerWaalsContact O-N 3.14Å; L52-I55 PolarHBondContact O-N 3.19Å; L52-I55 VanDerWaalsContact O-N 3.14Å; I55-R57 VanDerWaalsContact C-N 3.32Å; I55-R57 PolarHBondContact O-N 3.42Å; I55-Q58 PolarHBondContact O-N 3.19Å; I55-A59 WeakPolarHBondContact O-CB 3.37Å; I55-A59 PolarHBondContact O-N 2.63Å |
| 56 | F | 61.4 | Low | 62.9 | Low | 133 Ų | 133 | 102.2 Ų | 102.2 | 58% | 0.583 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.1 | -39.3 | 176.7 | -86.6 | -69.5 | 0 | 0 | 0 | 111.8 | L52 A59 Q60 | L52-F56 HydrophobicContact CD2-CD2 4.27Å; L52-F56 HydrophobicContact CD2-CE2 3.92Å; L52-F56 WeakPolarHBondContact O-CD2 3.36Å; L52-F56 PolarHBondContact O-N 3.25Å; F56-A59 PolarHBondContact O-N 3.35Å; F56-Q60 WeakPolarHBondContact O-CB 3.45Å; F56-Q60 PolarHBondContact O-N 3.12Å |
| 57 | R | 70.2 | Confident | 63 | Low | 180 Ų | 180 | 99.5 Ų | 99.5 | 68% | 0.679 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.2 | -38.9 | 174.1 | -169.1 | 175.5 | 177.9 | -169.8 | -2.2 | 111.6 | A53 S54 I55 Q60 V61 | A53-R57 WeakPolarHBondContact O-CB 3.4Å; A53-R57 PolarHBondContact O-N 3Å; S54-R57 PolarHBondContact O-N 3.43Å; I55-R57 VanDerWaalsContact C-N 3.32Å; I55-R57 PolarHBondContact O-N 3.42Å; R57-Q60 PolarHBondContact O-N 3.5Å; R57-V61 WeakPolarHBondContact O-CB 3.45Å; R57-V61 WeakPolarHBondContact O-CG2 3.26Å; R57-V61 PolarHBondContact O-N 3.48Å |
| 58 | Q | 64.1 | Low | 62.3 | Low | 137 Ų | 137 | 100.7 Ų | 100.7 | 64% | 0.64 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.8 | -40.3 | 173.2 | -77 | 178.6 | 0.7 | 0 | 0 | 112.3 | S54 I55 V61 L62 | S54-Q58 WeakPolarHBondContact O-CB 3.46Å; S54-Q58 WeakPolarHBondContact O-CG 3.34Å; S54-Q58 PolarHBondContact O-N 3.1Å; I55-Q58 PolarHBondContact O-N 3.19Å; Q58-V61 PolarHBondContact O-N 3.14Å; Q58-L62 WeakPolarHBondContact O-CB 3.34Å; Q58-L62 PolarHBondContact O-N 2.92Å |
| 59 | A | 54.6 | Low | 61.9 | Low | 39 Ų | 39 | 102.4 Ų | 102.4 | 32% | 0.322 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I55 F56 L62 E63 | I55-A59 WeakPolarHBondContact O-CB 3.37Å; I55-A59 PolarHBondContact O-N 2.63Å; F56-A59 PolarHBondContact O-N 3.35Å; A59-L62 WeakPolarHBondContact O-CB 3.22Å; A59-L62 PolarHBondContact O-N 2.85Å; A59-E63 WeakPolarHBondContact O-CB 3.17Å; A59-E63 PolarHBondContact O-N 3.28Å |
| 60 | Q | 64.7 | Low | 61.1 | Low | 121 Ų | 121 | 101.7 Ų | 101.7 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65 | -40.8 | 172.9 | -85 | -178.5 | -25.6 | 0 | 0 | 112.2 | F56 R57 L62 E63 D64 | F56-Q60 WeakPolarHBondContact O-CB 3.45Å; F56-Q60 PolarHBondContact O-N 3.12Å; R57-Q60 PolarHBondContact O-N 3.5Å; Q60-L62 VanDerWaalsContact C-N 3.25Å; Q60-L62 PolarHBondContact O-N 3.47Å; Q60-E63 CarbonylContact O-C 3.6Å; Q60-E63 PolarHBondContact O-N 3.44Å; Q60-D64 VanDerWaalsContact O-CB 3.31Å; Q60-D64 WeakPolarHBondContact O-CB 3.46Å; Q60-D64 PolarHBondContact O-N 3.41Å |
| 61 | V | 66.1 | Low | 60.6 | Low | 66 Ų | 66 | 98.1 Ų | 98.1 | 40% | 0.4 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 174 | 167.8 | 0 | 0 | 0 | 0 | 110.6 | R57 Q58 L65 | R57-V61 WeakPolarHBondContact O-CB 3.45Å; R57-V61 WeakPolarHBondContact O-CG2 3.26Å; R57-V61 PolarHBondContact O-N 3.48Å; Q58-V61 PolarHBondContact O-N 3.14Å; V61-L65 HydrophobicContact CG1-CD1 3.91Å; V61-L65 VanDerWaalsContact O-CB 3.27Å; V61-L65 WeakPolarHBondContact O-CB 3.45Å; V61-L65 WeakPolarHBondContact O-CD1 3.26Å; V61-L65 WeakPolarHBondContact O-CG 3.35Å; V61-L65 PolarHBondContact O-N 3.38Å |
| 62 | L | 50.8 | Low | 59.7 | Low | 85 Ų | 85 | 94.1 Ų | 94.1 | 45% | 0.445 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68 | -42.2 | 175 | -173.9 | 64.3 | 0 | 0 | 0 | 111.7 | Q58 A59 Q60 L65 I66 L124 | Q58-L62 WeakPolarHBondContact O-CB 3.34Å; Q58-L62 PolarHBondContact O-N 2.92Å; A59-L62 WeakPolarHBondContact O-CB 3.22Å; A59-L62 PolarHBondContact O-N 2.85Å; Q60-L62 VanDerWaalsContact C-N 3.25Å; Q60-L62 PolarHBondContact O-N 3.47Å; L62-L65 PolarHBondContact O-N 3.39Å; L62-I66 HydrophobicContact CD1-CD1 4.45Å; L62-I66 HydrophobicContact CG-CD1 4.04Å; L62-I66 WeakPolarHBondContact O-CB 3.4Å; L62-I66 WeakPolarHBondContact O-CD1 3.17Å; L62-I66 WeakPolarHBondContact O-CG1 3.17Å; L62-I66 PolarHBondContact O-N 2.93Å; L62-L124 HydrophobicContact CD2-CD2 4.27Å |
| 63 | E | 64.9 | Low | 59.5 | Low | 132 Ų | 132 | 96.5 Ų | 96.5 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.2 | -44.2 | 175.1 | -169.9 | 179.8 | -179.2 | 0 | 0 | 111.4 | A59 Q60 L65 I66 A67 | A59-E63 WeakPolarHBondContact O-CB 3.17Å; A59-E63 PolarHBondContact O-N 3.28Å; Q60-E63 CarbonylContact O-C 3.6Å; Q60-E63 PolarHBondContact O-N 3.44Å; E63-L65 VanDerWaalsContact C-N 3.33Å; E63-L65 PolarHBondContact O-N 3Å; E63-I66 CarbonylContact O-C 3.47Å; E63-I66 PolarHBondContact O-N 3.12Å; E63-I66 VanDerWaalsContact O-N 3.15Å; E63-A67 VanDerWaalsContact O-CB 3.26Å; E63-A67 WeakPolarHBondContact O-CB 3.49Å; E63-A67 PolarHBondContact O-N 3.41Å |
| 64 | D | 65.2 | Low | 58.5 | Low | 100 Ų | 100 | 97.6 Ų | 97.6 | 54% | 0.535 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -36.5 | 174.5 | -84.1 | -14.6 | 0 | 0 | 0 | 111.7 | Q60 A67 K68 | Q60-D64 VanDerWaalsContact O-CB 3.31Å; Q60-D64 WeakPolarHBondContact O-CB 3.46Å; Q60-D64 PolarHBondContact O-N 3.41Å; D64-A67 PolarHBondContact O-N 3.44Å; D64-K68 WeakPolarHBondContact O-CB 3.47Å; D64-K68 WeakPolarHBondContact O-CG 3.38Å; D64-K68 PolarHBondContact O-N 3Å |
| 65 | L | 55.9 | Low | 57.2 | Low | 112 Ų | 112 | 104.1 Ų | 104.1 | 59% | 0.586 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.1 | -36.7 | 172.9 | -81.3 | 164.1 | 0 | 0 | 0 | 111.6 | V61 L62 E63 Y69 | V61-L65 HydrophobicContact CG1-CD1 3.91Å; V61-L65 VanDerWaalsContact O-CB 3.27Å; V61-L65 WeakPolarHBondContact O-CB 3.45Å; V61-L65 WeakPolarHBondContact O-CD1 3.26Å; V61-L65 WeakPolarHBondContact O-CG 3.35Å; V61-L65 PolarHBondContact O-N 3.38Å; L62-L65 PolarHBondContact O-N 3.39Å; E63-L65 VanDerWaalsContact C-N 3.33Å; E63-L65 PolarHBondContact O-N 3Å; L65-Y69 PolarHBondContact O-N 3.31Å |
| 66 | I | 59.4 | Low | 55.9 | Low | 115 Ų | 115 | 110 Ų | 110 | 59% | 0.59 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -74.3 | -33.3 | 174.2 | -67.3 | 164.3 | 0 | 0 | 0 | 111 | L62 E63 Y69 | L62-I66 HydrophobicContact CD1-CD1 4.45Å; L62-I66 HydrophobicContact CG-CD1 4.04Å; L62-I66 WeakPolarHBondContact O-CB 3.4Å; L62-I66 WeakPolarHBondContact O-CD1 3.17Å; L62-I66 WeakPolarHBondContact O-CG1 3.17Å; L62-I66 PolarHBondContact O-N 2.93Å; E63-I66 CarbonylContact O-C 3.47Å; E63-I66 PolarHBondContact O-N 3.12Å; E63-I66 VanDerWaalsContact O-N 3.15Å; I66-Y69 WeakPolarHBondContact O-CB 3.46Å; I66-Y69 PolarHBondContact O-N 2.98Å |
| 67 | A | 66.3 | Low | 54.8 | Low | 78 Ų | 78 | 111.5 Ų | 111.5 | 65% | 0.645 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -78.4 | -34.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E63 D64 | E63-A67 VanDerWaalsContact O-CB 3.26Å; E63-A67 WeakPolarHBondContact O-CB 3.49Å; E63-A67 PolarHBondContact O-N 3.41Å; D64-A67 PolarHBondContact O-N 3.44Å |
| 68 | K | 56.5 | Low | 53.2 | Low | 174 Ų | 174 | 104 Ų | 104 | 76% | 0.757 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -77.8 | -6 | 167.4 | -79.5 | -179.4 | 175.7 | 170.4 | 0 | 112.9 | D64 D70 | D64-K68 WeakPolarHBondContact O-CB 3.47Å; D64-K68 WeakPolarHBondContact O-CG 3.38Å; D64-K68 PolarHBondContact O-N 3Å; K68-D70 VanDerWaalsContact C-N 3.28Å; K68-D70 PolarHBondContact O-N 3.12Å |
| 69 | Y | 48 | Very low | 51.7 | Low | 113 Ų | 113 | 100.1 Ų | 100.1 | 44% | 0.443 | 50% | 0.504 | S | S | . | . | trans | -62.8 | 97.6 | 170.9 | -174.7 | -101.8 | 0 | 0 | 0 | 107.8 | L65 I66 P71 E74 | L65-Y69 PolarHBondContact O-N 3.31Å; I66-Y69 WeakPolarHBondContact O-CB 3.46Å; I66-Y69 PolarHBondContact O-N 2.98Å; Y69-P71 WeakPolarHBondContact O-CD 3.34Å; Y69-E74 HydrophobicContact CE1-CG 3.71Å; Y69-E74 VanDerWaalsContact OH-CD 3.26Å; Y69-E74 WeakPolarHBondContact OH-CG 3.3Å; Y69-E74 PolarHBondContact OH-OE1 2.99Å | ||
| 70 | D | 44.5 | Very low | 50.8 | Low | 71 Ų | 71 | 102.5 Ų | 102.5 | 38% | 0.38 | 52% | 0.518 | S | S | . | . | trans | -72.7 | 114.3 | 178.8 | -179.2 | 4.2 | 0 | 0 | 0 | 108.1 | K68 S72 I73 | K68-D70 VanDerWaalsContact C-N 3.28Å; K68-D70 PolarHBondContact O-N 3.12Å; D70-S72 PolarHBondContact O-N 3.1Å; D70-S72 WeakPolarHBondContact OD1-CA 3.48Å; D70-S72 WeakPolarHBondContact OD1-CB 3.38Å; D70-S72 PolarHBondContact OD1-N 3.44Å; D70-S72 PolarHBondContact OD1-OG 2.98Å; D70-S72 WeakPolarHBondContact OD2-CB 3.08Å; D70-S72 PolarHBondContact OD2-OG 3.44Å; D70-I73 HydrophobicContact CB-CD1 4.04Å; D70-I73 HydrophobicContact CB-CG1 4.03Å; D70-I73 WeakPolarHBondContact O-CA 3.39Å; D70-I73 VanDerWaalsContact O-CB 3.27Å; D70-I73 WeakPolarHBondContact O-CB 3.12Å; D70-I73 PolarHBondContact O-N 3.41Å | ||
| 71 | P | 59.3 | Low | 49.5 | Very low | 72 Ų | 72 | 101.9 Ų | 101.9 | 47% | 0.468 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.4 | -12.8 | 173.6 | -16.4 | 31.1 | 0 | 0 | 0 | 111.3 | Y69 I73 E74 R75 | Y69-P71 WeakPolarHBondContact O-CD 3.34Å; P71-I73 VanDerWaalsContact C-N 3.3Å; P71-E74 CarbonylContact O-C 3.38Å; P71-E74 WeakPolarHBondContact O-CA 3.37Å; P71-E74 VanDerWaalsContact O-CB 3.28Å; P71-E74 WeakPolarHBondContact O-CB 3.49Å; P71-E74 PolarHBondContact O-N 3.35Å; P71-E74 VanDerWaalsContact O-N 3.17Å; P71-R75 PolarHBondContact O-N 2.92Å |
| 72 | S | 48.2 | Very low | 48.1 | Very low | 38 Ų | 38 | 105.2 Ų | 105.2 | 27% | 0.266 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72.7 | -20.4 | 170.1 | 104.8 | 0 | 0 | 0 | 0 | 113.2 | D70 R75 R76 | D70-S72 PolarHBondContact O-N 3.1Å; D70-S72 WeakPolarHBondContact OD1-CA 3.48Å; D70-S72 WeakPolarHBondContact OD1-CB 3.38Å; D70-S72 PolarHBondContact OD1-N 3.44Å; D70-S72 PolarHBondContact OD1-OG 2.98Å; D70-S72 WeakPolarHBondContact OD2-CB 3.08Å; D70-S72 PolarHBondContact OD2-OG 3.44Å; S72-R75 CarbonylContact O-C 3.43Å; S72-R75 PolarHBondContact O-N 3.48Å; S72-R76 WeakPolarHBondContact O-CB 3.37Å; S72-R76 PolarHBondContact O-N 3.04Å |
| 73 | I | 48.5 | Very low | 47.2 | Very low | 81 Ų | 81 | 105 Ų | 105 | 42% | 0.415 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 163.9 | -62.2 | 170.5 | 0 | 0 | 0 | 108.3 | D70 P71 R75 R76 Y77 | D70-I73 HydrophobicContact CB-CD1 4.04Å; D70-I73 HydrophobicContact CB-CG1 4.03Å; D70-I73 WeakPolarHBondContact O-CA 3.39Å; D70-I73 VanDerWaalsContact O-CB 3.27Å; D70-I73 WeakPolarHBondContact O-CB 3.12Å; D70-I73 PolarHBondContact O-N 3.41Å; P71-I73 VanDerWaalsContact C-N 3.3Å; I73-R75 VanDerWaalsContact C-N 3.28Å; I73-R75 PolarHBondContact O-N 3.43Å; I73-R76 PolarHBondContact O-N 2.88Å; I73-Y77 HydrophobicContact CG2-CD2 3.55Å; I73-Y77 HydrophobicContact CG2-CE2 3.76Å; I73-Y77 WeakPolarHBondContact O-CB 3.23Å; I73-Y77 VanDerWaalsContact O-CD2 3.28Å; I73-Y77 WeakPolarHBondContact O-CD2 3.43Å; I73-Y77 PolarHBondContact O-N 2.79Å |
| 74 | E | 47.7 | Very low | 45.9 | Very low | 82 Ų | 82 | 101.5 Ų | 101.5 | 38% | 0.383 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.3 | -26.3 | 167.4 | -67.2 | -167.3 | 125.8 | 0 | 0 | 113.3 | Y69 P71 G78 R110 | Y69-E74 HydrophobicContact CE1-CG 3.71Å; Y69-E74 VanDerWaalsContact OH-CD 3.26Å; Y69-E74 WeakPolarHBondContact OH-CG 3.3Å; Y69-E74 PolarHBondContact OH-OE1 2.99Å; P71-E74 CarbonylContact O-C 3.38Å; P71-E74 WeakPolarHBondContact O-CA 3.37Å; P71-E74 VanDerWaalsContact O-CB 3.28Å; P71-E74 WeakPolarHBondContact O-CB 3.49Å; P71-E74 PolarHBondContact O-N 3.35Å; P71-E74 VanDerWaalsContact O-N 3.17Å; E74-G78 WeakPolarHBondContact O-CA 3.35Å; E74-G78 PolarHBondContact O-N 2.78Å; E74-R110 IonicContact OE1-NH2 3.55Å |
| 75 | R | 43.2 | Very low | 44.4 | Very low | 189 Ų | 189 | 102.1 Ų | 102.1 | 71% | 0.713 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -82.8 | -24.7 | 170.7 | -68.2 | -176.7 | -169.4 | 142.2 | 4.4 | 113.3 | P71 S72 I73 A79 | P71-R75 PolarHBondContact O-N 2.92Å; S72-R75 CarbonylContact O-C 3.43Å; S72-R75 PolarHBondContact O-N 3.48Å; I73-R75 VanDerWaalsContact C-N 3.28Å; I73-R75 PolarHBondContact O-N 3.43Å; R75-A79 WeakPolarHBondContact O-CA 3.3Å; R75-A79 WeakPolarHBondContact O-CB 3.37Å; R75-A79 PolarHBondContact O-N 2.82Å |
| 76 | R | 35.2 | Very low | 43.6 | Very low | 193 Ų | 193 | 103 Ų | 103 | 73% | 0.728 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -81.1 | -39.5 | 174.2 | -81.3 | -174.6 | -170 | -172.2 | 4.4 | 111.2 | S72 I73 C80 | S72-R76 WeakPolarHBondContact O-CB 3.37Å; S72-R76 PolarHBondContact O-N 3.04Å; I73-R76 PolarHBondContact O-N 2.88Å; R76-C80 WeakPolarHBondContact O-CB 3.4Å; R76-C80 PolarHBondContact O-N 3.38Å; R76-C80 VanDerWaalsContact O-N 3.16Å; R76-C80 PolarHBondContact O-SG 3.44Å |
| 77 | Y | 36.9 | Very low | 42.6 | Very low | 164 Ų | 164 | 101.8 Ų | 101.8 | 64% | 0.643 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -82.1 | -35.7 | 172.1 | -71.8 | -79.9 | 0 | 0 | 0 | 111.8 | I73 C80 I81 | I73-Y77 HydrophobicContact CG2-CD2 3.55Å; I73-Y77 HydrophobicContact CG2-CE2 3.76Å; I73-Y77 WeakPolarHBondContact O-CB 3.23Å; I73-Y77 VanDerWaalsContact O-CD2 3.28Å; I73-Y77 WeakPolarHBondContact O-CD2 3.43Å; I73-Y77 PolarHBondContact O-N 2.79Å; Y77-C80 CarbonylContact O-C 3.57Å; Y77-C80 PolarHBondContact O-N 3.36Å; Y77-I81 WeakPolarHBondContact O-CB 3.23Å; Y77-I81 WeakPolarHBondContact O-CD1 3.16Å; Y77-I81 WeakPolarHBondContact O-CG1 3.46Å; Y77-I81 PolarHBondContact O-N 3.42Å |
| 78 | G | 36.6 | Very low | 41 | Very low | 22 Ų | 22 | 105.6 Ų | 105.6 | 23% | 0.227 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -76.9 | -23.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E74 I81 L82 | E74-G78 WeakPolarHBondContact O-CA 3.35Å; E74-G78 PolarHBondContact O-N 2.78Å; G78-I81 PolarHBondContact O-N 2.92Å; G78-L82 VanDerWaalsContact O-CB 3.24Å; G78-L82 WeakPolarHBondContact O-CB 3.08Å; G78-L82 WeakPolarHBondContact O-CD1 3.34Å; G78-L82 PolarHBondContact O-N 2.92Å |
| 79 | A | 33.9 | Very low | 40 | Very low | 56 Ų | 56 | 103.9 Ų | 103.9 | 46% | 0.463 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -80.9 | -24.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R75 I81 A83 | R75-A79 WeakPolarHBondContact O-CA 3.3Å; R75-A79 WeakPolarHBondContact O-CB 3.37Å; R75-A79 PolarHBondContact O-N 2.82Å; A79-I81 VanDerWaalsContact C-N 3.27Å; A79-A83 WeakPolarHBondContact O-CA 3.46Å; A79-A83 WeakPolarHBondContact O-CB 3.44Å; A79-A83 PolarHBondContact O-N 3.45Å |
| 80 | C | 34.7 | Very low | 39.6 | Very low | 89 Ų | 89 | 104.7 Ų | 104.7 | 60% | 0.601 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -70.7 | -24.1 | 164.9 | -77.8 | 0 | 0 | 0 | 0 | 112.5 | R76 Y77 | R76-C80 WeakPolarHBondContact O-CB 3.4Å; R76-C80 PolarHBondContact O-N 3.38Å; R76-C80 VanDerWaalsContact O-N 3.16Å; R76-C80 PolarHBondContact O-SG 3.44Å; Y77-C80 CarbonylContact O-C 3.57Å; Y77-C80 PolarHBondContact O-N 3.36Å |
| 81 | I | 38.5 | Very low | 39.6 | Very low | 107 Ų | 107 | 106.9 Ų | 106.9 | 55% | 0.549 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -93.8 | -29 | 177 | -66.8 | 164.8 | 0 | 0 | 0 | 112 | Y77 G78 A79 | Y77-I81 WeakPolarHBondContact O-CB 3.23Å; Y77-I81 WeakPolarHBondContact O-CD1 3.16Å; Y77-I81 WeakPolarHBondContact O-CG1 3.46Å; Y77-I81 PolarHBondContact O-N 3.42Å; G78-I81 PolarHBondContact O-N 2.92Å; A79-I81 VanDerWaalsContact C-N 3.27Å |
| 82 | L | 36.7 | Very low | 39 | Very low | 136 Ų | 136 | 106.9 Ų | 106.9 | 71% | 0.712 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -82.6 | -16.7 | 167.3 | -97.4 | 111.9 | 0 | 0 | 0 | 113.6 | G78 V84 D85 | G78-L82 VanDerWaalsContact O-CB 3.24Å; G78-L82 WeakPolarHBondContact O-CB 3.08Å; G78-L82 WeakPolarHBondContact O-CD1 3.34Å; G78-L82 PolarHBondContact O-N 2.92Å; L82-V84 PolarHBondContact O-N 3.4Å; L82-D85 WeakPolarHBondContact O-CB 3.34Å; L82-D85 PolarHBondContact O-N 3.27Å; L82-D85 VanDerWaalsContact O-N 3.12Å |
| 83 | A | 31.5 | Very low | 39.2 | Very low | 82 Ų | 82 | 110.7 Ų | 110.7 | 68% | 0.678 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -74.9 | -7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A79 D85 | A79-A83 WeakPolarHBondContact O-CA 3.46Å; A79-A83 WeakPolarHBondContact O-CB 3.44Å; A79-A83 PolarHBondContact O-N 3.45Å; A83-D85 PolarHBondContact O-N 3.46Å |
| 84 | V | 37.4 | Very low | 39.3 | Very low | 57 Ų | 57 | 114.3 Ų | 114.3 | 35% | 0.345 | 62% | 0.615 | S | S | . | * | trans | -91.2 | 47.7 | 158.5 | -166.3 | 0 | 0 | 0 | 0 | 108.4 | L82 I86 Y99 | L82-V84 PolarHBondContact O-N 3.4Å; V84-I86 HydrophobicContact CG1-CG1 4.48Å; V84-I86 PolarHBondContact O-N 2.79Å; V84-Y99 HydrophobicContact CG1-CE1 3.87Å; V84-Y99 WeakPolarHBondContact CG1-OH 3.47Å; V84-Y99 WeakPolarHBondContact CG2-OH 3.41Å | ||
| 85 | D | 34.2 | Very low | 39.4 | Very low | 113 Ų | 113 | 115.6 Ų | 115.6 | 60% | 0.604 | 63% | 0.625 | S | S | * | * | trans | -71.2 | 116.9 | 156.6 | -162.1 | -20.3 | 0 | 0 | 0 | 106.4 | L82 A83 S87 | L82-D85 WeakPolarHBondContact O-CB 3.34Å; L82-D85 PolarHBondContact O-N 3.27Å; L82-D85 VanDerWaalsContact O-N 3.12Å; A83-D85 PolarHBondContact O-N 3.46Å; D85-S87 PolarHBondContact O-N 3.26Å; D85-S87 PolarHBondContact OD1-OG 3.27Å | ||
| 86 | I | 37.7 | Very low | 39.5 | Very low | 131 Ų | 131 | 113 Ų | 113 | 67% | 0.672 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 36.5 | -172.7 | -66.9 | 170.5 | 0 | 0 | 0 | 110.9 | V84 | V84-I86 HydrophobicContact CG1-CG1 4.48Å; V84-I86 PolarHBondContact O-N 2.79Å |
| 87 | S | 38.9 | Very low | 40.2 | Very low | 89 Ų | 89 | 107.3 Ų | 107.3 | 62% | 0.622 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.3 | -4.1 | -169.9 | -57.4 | 0 | 0 | 0 | 0 | 114.9 | D85 | D85-S87 PolarHBondContact O-N 3.26Å; D85-S87 PolarHBondContact OD1-OG 3.27Å |
| 88 | L | 33.1 | Very low | 40.9 | Very low | 158 Ų | 158 | 101.2 Ų | 101.2 | 83% | 0.827 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -143.9 | 9.5 | -170.8 | -97.8 | 151.7 | 0 | 0 | 0 | 119.1 | ||
| 89 | L | 35.9 | Very low | 41.4 | Very low | 138 Ų | 138 | 106 Ų | 106 | 72% | 0.723 | 60% | 0.604 | S | S | * | * | trans | -124.7 | 124.6 | 169.4 | -122.7 | 84.1 | 0 | 0 | 0 | 111.4 | L91 | L89-L91 HydrophobicContact CB-CG 4.5Å; L89-L91 HydrophobicContact CD2-CG 4.49Å; L89-L91 PolarHBondContact O-N 3.27Å | ||
| 90 | P | 38.1 | Very low | 42.2 | Very low | 130 Ų | 130 | 105 Ų | 105 | 84% | 0.844 | 60% | 0.596 | S | S | * | * | trans | -74.1 | 80.4 | 171.9 | 32.2 | -30.8 | 0 | 0 | 0 | 108 | ||||
| 91 | L | 44.7 | Very low | 43.2 | Very low | 118 Ų | 118 | 105.3 Ų | 105.3 | 62% | 0.618 | 59% | 0.589 | S | S | * | * | trans | -76.9 | 132.8 | 170.6 | -80.1 | 164.6 | 0 | 0 | 0 | 108.7 | L89 | L89-L91 HydrophobicContact CB-CG 4.5Å; L89-L91 HydrophobicContact CD2-CG 4.49Å; L89-L91 PolarHBondContact O-N 3.27Å | ||
| 92 | P | 47.3 | Very low | 43.9 | Very low | 71 Ų | 71 | 102.8 Ų | 102.8 | 46% | 0.461 | 58% | 0.584 | S | S | . | * | trans | -59.9 | 139.9 | 179.3 | 23.2 | -31.7 | 0 | 0 | 0 | 110.2 | E94 N95 | P92-E94 PolarHBondContact O-N 3.11Å; P92-N95 PolarHBondContact O-N 2.76Å | ||
| 93 | P | 52.2 | Low | 44.6 | Very low | 119 Ų | 119 | 100.1 Ų | 100.1 | 77% | 0.773 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -60.6 | -12.3 | -175.3 | 23.7 | -34 | 0 | 0 | 0 | 114 | N95 | P93-N95 VanDerWaalsContact C-N 3.34Å; P93-N95 PolarHBondContact O-N 2.9Å |
| 94 | E | 51.4 | Low | 45.9 | Very low | 157 Ų | 157 | 98.6 Ų | 98.6 | 73% | 0.734 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -75.3 | -15.4 | -176.3 | -58 | -169.3 | 167 | 0 | 0 | 114.2 | P92 | P92-E94 PolarHBondContact O-N 3.11Š|
| 95 | N | 48.5 | Very low | 46.8 | Very low | 108 Ų | 108 | 96.3 Ų | 96.3 | 58% | 0.578 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -111.3 | 1.4 | -179.3 | -72.5 | -17.3 | 0 | 0 | 0 | 114.6 | P92 P93 S97 Y99 | P92-N95 PolarHBondContact O-N 2.76Å; P93-N95 VanDerWaalsContact C-N 3.34Å; P93-N95 PolarHBondContact O-N 2.9Å; N95-S97 PolarHBondContact O-N 3.47Å; N95-Y99 PolarHBondContact O-N 2.88Å |
| 96 | F | 45.5 | Very low | 48 | Very low | 134 Ų | 134 | 93.4 Ų | 93.4 | 59% | 0.588 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.9 | -32 | -173.2 | -164 | -95.7 | 0 | 0 | 0 | 113.2 | A100 | F96-A100 WeakPolarHBondContact O-CB 3.41Å; F96-A100 PolarHBondContact O-N 3.46Å; F96-A100 VanDerWaalsContact O-N 3.07Å |
| 97 | S | 51.4 | Low | 48.9 | Very low | 74 Ų | 74 | 90.6 Ų | 90.6 | 52% | 0.517 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.8 | -43.9 | -179.8 | 67.5 | 0 | 0 | 0 | 0 | 112.6 | N95 Y99 A100 E101 | N95-S97 PolarHBondContact O-N 3.47Å; S97-Y99 VanDerWaalsContact C-N 3.32Å; S97-Y99 PolarHBondContact O-N 3.48Å; S97-A100 PolarHBondContact O-N 3.31Å; S97-E101 WeakPolarHBondContact O-CG 3.44Å; S97-E101 PolarHBondContact O-N 2.99Å |
| 98 | A | 51.3 | Low | 50 | Low | 37 Ų | 37 | 87.1 Ų | 87.1 | 31% | 0.306 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65 | -37.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E101 A102 | A98-E101 PolarHBondContact O-N 3.16Å; A98-A102 WeakPolarHBondContact O-CB 3.38Å; A98-A102 PolarHBondContact O-N 3.42Å |
| 99 | Y | 47.2 | Very low | 51.4 | Low | 121 Ų | 121 | 81.4 Ų | 81.4 | 48% | 0.475 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.8 | -41.5 | 177.3 | -161.5 | -92.2 | 0 | 0 | 0 | 112.3 | V84 N95 S97 A102 L103 | V84-Y99 HydrophobicContact CG1-CE1 3.87Å; V84-Y99 WeakPolarHBondContact CG1-OH 3.47Å; V84-Y99 WeakPolarHBondContact CG2-OH 3.41Å; N95-Y99 PolarHBondContact O-N 2.88Å; S97-Y99 VanDerWaalsContact C-N 3.32Å; S97-Y99 PolarHBondContact O-N 3.48Å; Y99-A102 PolarHBondContact O-N 3.4Å; Y99-L103 WeakPolarHBondContact O-CB 3.24Å; Y99-L103 PolarHBondContact O-N 2.97Å |
| 100 | A | 49.4 | Very low | 52.7 | Low | 35 Ų | 35 | 80.8 Ų | 80.8 | 29% | 0.289 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F96 S97 L103 I104 | F96-A100 WeakPolarHBondContact O-CB 3.41Å; F96-A100 PolarHBondContact O-N 3.46Å; F96-A100 VanDerWaalsContact O-N 3.07Å; S97-A100 PolarHBondContact O-N 3.31Å; A100-L103 PolarHBondContact O-N 3.2Å; A100-I104 WeakPolarHBondContact O-CD1 3.17Å; A100-I104 VanDerWaalsContact O-CG1 3.23Å; A100-I104 WeakPolarHBondContact O-CG1 3.4Å; A100-I104 PolarHBondContact O-N 3.42Å |
| 101 | E | 55.3 | Low | 54 | Low | 97 Ų | 97 | 76.1 Ų | 76.1 | 45% | 0.453 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 176.2 | -75.5 | 174.4 | -171 | 0 | 0 | 112.2 | S97 A98 L103 I104 A105 | S97-E101 WeakPolarHBondContact O-CG 3.44Å; S97-E101 PolarHBondContact O-N 2.99Å; A98-E101 PolarHBondContact O-N 3.16Å; E101-L103 VanDerWaalsContact C-N 3.34Å; E101-L103 PolarHBondContact O-N 3.14Å; E101-I104 PolarHBondContact O-N 3.03Å; E101-A105 WeakPolarHBondContact O-CB 3.31Å; E101-A105 PolarHBondContact O-N 2.86Å |
| 102 | A | 54.9 | Low | 54.8 | Low | 54 Ų | 54 | 71.6 Ų | 71.6 | 45% | 0.446 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A98 Y99 A105 A106 | A98-A102 WeakPolarHBondContact O-CB 3.38Å; A98-A102 PolarHBondContact O-N 3.42Å; Y99-A102 PolarHBondContact O-N 3.4Å; A102-A105 PolarHBondContact O-N 2.74Å; A102-A106 WeakPolarHBondContact O-CB 3.49Å; A102-A106 PolarHBondContact O-N 3.47Å |
| 103 | L | 50.7 | Low | 55.8 | Low | 79 Ų | 79 | 72.3 Ų | 72.3 | 41% | 0.414 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.8 | -43 | 178 | -169.5 | 72.2 | 0 | 0 | 0 | 111.9 | Y99 A100 E101 A106 L107 | Y99-L103 WeakPolarHBondContact O-CB 3.24Å; Y99-L103 PolarHBondContact O-N 2.97Å; A100-L103 PolarHBondContact O-N 3.2Å; E101-L103 VanDerWaalsContact C-N 3.34Å; E101-L103 PolarHBondContact O-N 3.14Å; L103-A106 PolarHBondContact O-N 3.15Å; L103-L107 HydrophobicContact CG-CD1 4.28Å; L103-L107 WeakPolarHBondContact O-CB 3.32Å; L103-L107 WeakPolarHBondContact O-CG 2.99Å; L103-L107 PolarHBondContact O-N 3.28Å |
| 104 | I | 57.9 | Low | 56.6 | Low | 50 Ų | 50 | 71.6 Ų | 71.6 | 26% | 0.256 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 176.5 | -67.9 | 164.5 | 0 | 0 | 0 | 110.3 | A100 E101 A106 L107 L108 | A100-I104 WeakPolarHBondContact O-CD1 3.17Å; A100-I104 VanDerWaalsContact O-CG1 3.23Å; A100-I104 WeakPolarHBondContact O-CG1 3.4Å; A100-I104 PolarHBondContact O-N 3.42Å; E101-I104 PolarHBondContact O-N 3.03Å; I104-A106 VanDerWaalsContact C-N 3.34Å; I104-A106 PolarHBondContact O-N 2.81Å; I104-L107 PolarHBondContact O-N 3.16Å; I104-L108 WeakPolarHBondContact O-CB 3.5Å; I104-L108 PolarHBondContact O-N 2.95Å |
| 105 | A | 58.1 | Low | 57.3 | Low | 9 Ų | 9 | 65 Ų | 65 | 7% | 0.074 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E101 A102 Q109 | E101-A105 WeakPolarHBondContact O-CB 3.31Å; E101-A105 PolarHBondContact O-N 2.86Å; A102-A105 PolarHBondContact O-N 2.74Å; A105-Q109 WeakPolarHBondContact O-CG 3.42Å; A105-Q109 PolarHBondContact O-N 2.79Å |
| 106 | A | 58.4 | Low | 58.2 | Low | 52 Ų | 52 | 60.6 Ų | 60.6 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.5 | -41.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A102 L103 I104 Q109 R110 | A102-A106 WeakPolarHBondContact O-CB 3.49Å; A102-A106 PolarHBondContact O-N 3.47Å; L103-A106 PolarHBondContact O-N 3.15Å; I104-A106 VanDerWaalsContact C-N 3.34Å; I104-A106 PolarHBondContact O-N 2.81Å; A106-Q109 WeakPolarHBondContact O-CB 3.23Å; A106-Q109 PolarHBondContact O-N 2.92Å; A106-R110 PolarHBondContact O-N 2.92Å |
| 107 | L | 57.7 | Low | 59.3 | Low | 72 Ų | 72 | 57 Ų | 57 | 38% | 0.377 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 176 | -75.3 | 168.4 | 0 | 0 | 0 | 111.9 | L103 I104 Q109 R110 V111 C196 | L103-L107 HydrophobicContact CG-CD1 4.28Å; L103-L107 WeakPolarHBondContact O-CB 3.32Å; L103-L107 WeakPolarHBondContact O-CG 2.99Å; L103-L107 PolarHBondContact O-N 3.28Å; I104-L107 PolarHBondContact O-N 3.16Å; L107-Q109 VanDerWaalsContact C-N 3.32Å; L107-Q109 PolarHBondContact O-N 3.36Å; L107-R110 WeakPolarHBondContact O-CB 3.41Å; L107-R110 PolarHBondContact O-N 3.31Å; L107-V111 WeakPolarHBondContact O-CG2 3.5Å; L107-V111 PolarHBondContact O-N 3.48Å; L107-C196 HydrophobicContact CD1-CB 4.22Å; L107-C196 VanDerWaalsContact CD1-SG 3.54Å |
| 108 | L | 60.5 | Low | 60.3 | Low | 16 Ų | 16 | 56.4 Ų | 56.4 | 8% | 0.084 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.1 | -32.5 | 179.2 | -147.1 | 137.1 | 0 | 0 | 0 | 111.6 | I104 V111 A112 E179 F194 I200 | I104-L108 WeakPolarHBondContact O-CB 3.5Å; I104-L108 PolarHBondContact O-N 2.95Å; L108-V111 PolarHBondContact O-N 3.17Å; L108-A112 WeakPolarHBondContact O-CB 3.4Å; L108-A112 PolarHBondContact O-N 2.92Å; L108-E179 HydrophobicContact CD1-CG 3.8Å; L108-E179 HydrophobicContact CD2-CG 3.91Å; L108-F194 HydrophobicContact CD1-CB 4.16Å; L108-F194 HydrophobicContact CD1-CD1 4.2Å; L108-I200 HydrophobicContact CB-CD1 4.42Å; L108-I200 HydrophobicContact CD1-CD1 3.67Å; L108-I200 HydrophobicContact CD1-CG1 4.16Å; L108-I200 HydrophobicContact CG-CD1 4.05Å |
| 109 | Q | 63.9 | Low | 61.3 | Low | 39 Ų | 39 | 54.8 Ų | 54.8 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 169.2 | -79.9 | 165.1 | 13.6 | 0 | 0 | 112.6 | A105 A106 L107 V111 A112 L113 S339 | A105-Q109 WeakPolarHBondContact O-CG 3.42Å; A105-Q109 PolarHBondContact O-N 2.79Å; A106-Q109 WeakPolarHBondContact O-CB 3.23Å; A106-Q109 PolarHBondContact O-N 2.92Å; L107-Q109 VanDerWaalsContact C-N 3.32Å; L107-Q109 PolarHBondContact O-N 3.36Å; Q109-V111 VanDerWaalsContact C-N 3.34Å; Q109-A112 PolarHBondContact O-N 2.93Å; Q109-L113 WeakPolarHBondContact O-CB 3.42Å; Q109-L113 PolarHBondContact O-N 3.2Å; Q109-S339 VanDerWaalsContact CD-OG 3.28Å; Q109-S339 PolarHBondContact NE2-OG 3.32Å; Q109-S339 PolarHBondContact OE1-OG 3.47Å; Q109-S339 VanDerWaalsContact OE1-OG 3.06Å |
| 110 | R | 63.1 | Low | 62.4 | Low | 124 Ų | 124 | 51.4 Ų | 51.4 | 47% | 0.468 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 175.6 | -171.9 | 175.4 | 179.5 | 167.3 | 10.4 | 111 | E74 A106 L107 L113 E114 | E74-R110 IonicContact OE1-NH2 3.55Å; A106-R110 PolarHBondContact O-N 2.92Å; L107-R110 WeakPolarHBondContact O-CB 3.41Å; L107-R110 PolarHBondContact O-N 3.31Å; R110-L113 WeakPolarHBondContact O-CB 3.38Å; R110-L113 PolarHBondContact O-N 3.31Å; R110-E114 IonicContact NE-OE1 3.52Å; R110-E114 PolarHBondContact NE-OE1 3Å; R110-E114 WeakPolarHBondContact O-CG 3.27Å; R110-E114 PolarHBondContact O-N 3.03Å |
| 111 | V | 63.7 | Low | 63.6 | Low | 33 Ų | 33 | 52.9 Ų | 52.9 | 20% | 0.2 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 176 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | L107 L108 Q109 L113 E114 V115 I200 L204 | L107-V111 WeakPolarHBondContact O-CG2 3.5Å; L107-V111 PolarHBondContact O-N 3.48Å; L108-V111 PolarHBondContact O-N 3.17Å; Q109-V111 VanDerWaalsContact C-N 3.34Å; V111-L113 PolarHBondContact O-N 3.48Å; V111-E114 PolarHBondContact O-N 3.39Å; V111-V115 HydrophobicContact CG1-CG2 4.17Å; V111-V115 WeakPolarHBondContact O-CB 3.46Å; V111-V115 VanDerWaalsContact O-CG2 3.25Å; V111-V115 WeakPolarHBondContact O-CG2 3.43Å; V111-V115 PolarHBondContact O-N 3.05Å; V111-I200 HydrophobicContact CB-CG2 4.26Å; V111-I200 HydrophobicContact CG1-CG2 3.74Å; V111-I200 HydrophobicContact CG2-CG2 4.04Å; V111-L204 HydrophobicContact CG1-CD1 3.58Å; V111-L204 HydrophobicContact CG1-CD2 4.12Å; V111-L204 HydrophobicContact CG1-CG 4.26Å |
| 112 | A | 63.2 | Low | 64.7 | Low | 23 Ų | 23 | 49.9 Ų | 49.9 | 19% | 0.19 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.2 | -38.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L108 Q109 A116 L176 | L108-A112 WeakPolarHBondContact O-CB 3.4Å; L108-A112 PolarHBondContact O-N 2.92Å; Q109-A112 PolarHBondContact O-N 2.93Å; A112-A116 WeakPolarHBondContact O-CB 3.41Å; A112-A116 PolarHBondContact O-N 2.99Å; A112-L176 HydrophobicContact CB-CD2 4.02Å |
| 113 | L | 66.8 | Low | 65.6 | Low | 85 Ų | 85 | 49.6 Ų | 49.6 | 45% | 0.445 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.8 | -44.6 | 175.2 | -173.7 | 69 | 0 | 0 | 0 | 111.7 | Q109 R110 V111 A116 A117 V332 L336 | Q109-L113 WeakPolarHBondContact O-CB 3.42Å; Q109-L113 PolarHBondContact O-N 3.2Å; R110-L113 WeakPolarHBondContact O-CB 3.38Å; R110-L113 PolarHBondContact O-N 3.31Å; V111-L113 PolarHBondContact O-N 3.48Å; L113-A116 PolarHBondContact O-N 3.39Å; L113-A117 VanDerWaalsContact O-CB 3.22Å; L113-A117 WeakPolarHBondContact O-CB 3.33Å; L113-A117 PolarHBondContact O-N 2.85Å; L113-V332 HydrophobicContact CD1-CG1 4.07Å; L113-L336 HydrophobicContact CD1-CD1 4.27Å |
| 114 | E | 69.7 | Low | 66.7 | Low | 105 Ų | 105 | 49.7 Ų | 49.7 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 178.1 | -76.4 | 176.6 | -167.6 | 0 | 0 | 111.7 | R110 V111 A117 C118 | R110-E114 IonicContact NE-OE1 3.52Å; R110-E114 PolarHBondContact NE-OE1 3Å; R110-E114 WeakPolarHBondContact O-CG 3.27Å; R110-E114 PolarHBondContact O-N 3.03Å; V111-E114 PolarHBondContact O-N 3.39Å; E114-A117 PolarHBondContact O-N 3.36Å; E114-C118 WeakPolarHBondContact O-CB 3.21Å; E114-C118 PolarHBondContact O-N 2.86Å |
| 115 | V | 66.5 | Low | 67.6 | Low | 18 Ų | 18 | 49.2 Ų | 49.2 | 11% | 0.109 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67 | -40.1 | 176.7 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | V111 C118 N119 V172 L204 | V111-V115 HydrophobicContact CG1-CG2 4.17Å; V111-V115 WeakPolarHBondContact O-CB 3.46Å; V111-V115 VanDerWaalsContact O-CG2 3.25Å; V111-V115 WeakPolarHBondContact O-CG2 3.43Å; V111-V115 PolarHBondContact O-N 3.05Å; V115-C118 PolarHBondContact O-N 3.46Å; V115-N119 WeakPolarHBondContact O-CB 3.29Å; V115-N119 PolarHBondContact O-N 2.85Å; V115-N119 PolarHBondContact O-ND2 3.43Å; V115-V172 HydrophobicContact CB-CG2 4.48Å; V115-V172 HydrophobicContact CG1-CG2 3.43Å; V115-V172 VanDerWaalsContact CG1-CG2 3.43Å; V115-L204 HydrophobicContact CG2-CD1 4.17Å; V115-L204 HydrophobicContact CG2-CD2 3.56Å; V115-L204 HydrophobicContact CG2-CG 4.48Å |
| 116 | A | 66.8 | Low | 68.7 | Low | 15 Ų | 15 | 49 Ų | 49 | 12% | 0.124 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.2 | -38.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A112 L113 C118 N119 A120 V332 | A112-A116 WeakPolarHBondContact O-CB 3.41Å; A112-A116 PolarHBondContact O-N 2.99Å; L113-A116 PolarHBondContact O-N 3.39Å; A116-C118 VanDerWaalsContact C-N 3.34Å; A116-N119 PolarHBondContact O-N 3.44Å; A116-A120 VanDerWaalsContact O-CB 3.24Å; A116-A120 WeakPolarHBondContact O-CB 3.31Å; A116-A120 PolarHBondContact O-N 3.24Å; A116-V332 HydrophobicContact CB-CG2 3.2Å |
| 117 | A | 68.8 | Low | 69.6 | Low | 59 Ų | 59 | 48.8 Ų | 48.8 | 49% | 0.488 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | L113 E114 A120 S121 | L113-A117 VanDerWaalsContact O-CB 3.22Å; L113-A117 WeakPolarHBondContact O-CB 3.33Å; L113-A117 PolarHBondContact O-N 2.85Å; E114-A117 PolarHBondContact O-N 3.36Å; A117-A120 PolarHBondContact O-N 3.23Å; A117-S121 WeakPolarHBondContact O-CB 3.31Å; A117-S121 PolarHBondContact O-N 2.97Å; A117-S121 PolarHBondContact O-OG 3.21Å |
| 118 | C | 72 | Confident | 70.6 | Confident | 61 Ų | 61 | 48.1 Ų | 48.1 | 41% | 0.412 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 173.7 | -171.8 | 0 | 0 | 0 | 0 | 111.7 | E114 V115 A116 A120 S121 I122 | E114-C118 WeakPolarHBondContact O-CB 3.21Å; E114-C118 PolarHBondContact O-N 2.86Å; V115-C118 PolarHBondContact O-N 3.46Å; A116-C118 VanDerWaalsContact C-N 3.34Å; C118-A120 VanDerWaalsContact C-N 3.3Å; C118-A120 PolarHBondContact O-N 2.9Å; C118-S121 PolarHBondContact O-N 3.34Å; C118-S121 PolarHBondContact O-OG 3.08Å; C118-I122 WeakPolarHBondContact O-CD1 3.28Å; C118-I122 WeakPolarHBondContact O-CG1 3.41Å; C118-I122 PolarHBondContact O-N 3.44Å |
| 119 | N | 72.8 | Confident | 71.7 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64 | -37.2 | 175 | -74.3 | -21.4 | 0 | 0 | 0 | 111.5 | V115 A116 S123 S165 N168 | V115-N119 WeakPolarHBondContact O-CB 3.29Å; V115-N119 PolarHBondContact O-N 2.85Å; V115-N119 PolarHBondContact O-ND2 3.43Å; A116-N119 PolarHBondContact O-N 3.44Å; N119-S123 VanDerWaalsContact O-CB 3.25Å; N119-S123 WeakPolarHBondContact O-CB 3.39Å; N119-S123 PolarHBondContact O-N 3.38Å; N119-S123 PolarHBondContact O-OG 3.15Å; N119-S165 PolarHBondContact O-OG 3.25Å; N119-N168 PolarHBondContact OD1-ND2 2.88Å |
| 120 | A | 70.5 | Confident | 72.6 | Confident | 50 Ų | 50 | 52.1 Ų | 52.1 | 41% | 0.413 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A116 A117 C118 S123 L124 | A116-A120 VanDerWaalsContact O-CB 3.24Å; A116-A120 WeakPolarHBondContact O-CB 3.31Å; A116-A120 PolarHBondContact O-N 3.24Å; A117-A120 PolarHBondContact O-N 3.23Å; C118-A120 VanDerWaalsContact C-N 3.3Å; C118-A120 PolarHBondContact O-N 2.9Å; A120-S123 PolarHBondContact O-N 3.41Å; A120-L124 WeakPolarHBondContact O-CB 3.26Å; A120-L124 PolarHBondContact O-N 2.91Å |
| 121 | S | 74.2 | Confident | 73.6 | Confident | 65 Ų | 65 | 48.1 Ų | 48.1 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.3 | -40.6 | 177.7 | 69.2 | 0 | 0 | 0 | 0 | 112.1 | A117 C118 S123 L124 A125 | A117-S121 WeakPolarHBondContact O-CB 3.31Å; A117-S121 PolarHBondContact O-N 2.97Å; A117-S121 PolarHBondContact O-OG 3.21Å; C118-S121 PolarHBondContact O-N 3.34Å; C118-S121 PolarHBondContact O-OG 3.08Å; S121-S123 VanDerWaalsContact C-N 3.31Å; S121-S123 PolarHBondContact O-N 3.36Å; S121-L124 PolarHBondContact O-N 3.24Å; S121-A125 WeakPolarHBondContact O-CB 3.45Å; S121-A125 PolarHBondContact O-N 3.43Å |
| 122 | I | 78.5 | Confident | 74.5 | Confident | 34 Ų | 34 | 49.2 Ų | 49.2 | 17% | 0.174 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 173.7 | -64.4 | 163.7 | 0 | 0 | 0 | 110.8 | C118 A125 S126 F164 | C118-I122 WeakPolarHBondContact O-CD1 3.28Å; C118-I122 WeakPolarHBondContact O-CG1 3.41Å; C118-I122 PolarHBondContact O-N 3.44Å; I122-A125 PolarHBondContact O-N 3.48Å; I122-S126 WeakPolarHBondContact O-CB 3.32Å; I122-S126 PolarHBondContact O-N 3.42Å; I122-F164 HydrophobicContact CD1-CD1 3.98Å; I122-F164 HydrophobicContact CD1-CE1 3.74Å |
| 123 | S | 74 | Confident | 75.4 | Confident | 48 Ų | 48 | 49.2 Ų | 49.2 | 34% | 0.336 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69 | -38.6 | 177.4 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | N119 A120 S121 S126 A127 S165 | N119-S123 VanDerWaalsContact O-CB 3.25Å; N119-S123 WeakPolarHBondContact O-CB 3.39Å; N119-S123 PolarHBondContact O-N 3.38Å; N119-S123 PolarHBondContact O-OG 3.15Å; A120-S123 PolarHBondContact O-N 3.41Å; S121-S123 VanDerWaalsContact C-N 3.31Å; S121-S123 PolarHBondContact O-N 3.36Å; S123-S126 VanDerWaalsContact O-CB 3.32Å; S123-S126 WeakPolarHBondContact O-CB 3.26Å; S123-S126 PolarHBondContact O-N 2.91Å; S123-A127 PolarHBondContact O-N 2.84Å; S123-S165 PolarHBondContact OG-OG 2.91Å |
| 124 | L | 73.9 | Confident | 76.2 | Confident | 82 Ų | 82 | 52.7 Ų | 52.7 | 43% | 0.429 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 173.7 | -174 | 67.9 | 0 | 0 | 0 | 111.1 | L62 A120 S121 S126 A127 A128 | L62-L124 HydrophobicContact CD2-CD2 4.27Å; A120-L124 WeakPolarHBondContact O-CB 3.26Å; A120-L124 PolarHBondContact O-N 2.91Å; S121-L124 PolarHBondContact O-N 3.24Å; L124-S126 VanDerWaalsContact C-N 3.31Å; L124-S126 PolarHBondContact O-N 3.25Å; L124-A127 WeakPolarHBondContact O-CB 3.29Å; L124-A127 PolarHBondContact O-N 3.44Å; L124-A127 VanDerWaalsContact O-N 3.14Å; L124-A128 PolarHBondContact O-N 2.92Å |
| 125 | A | 76 | Confident | 76.8 | Confident | 40 Ų | 40 | 51.2 Ų | 51.2 | 33% | 0.331 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S121 I122 A127 A128 F129 | S121-A125 WeakPolarHBondContact O-CB 3.45Å; S121-A125 PolarHBondContact O-N 3.43Å; I122-A125 PolarHBondContact O-N 3.48Å; A125-A127 VanDerWaalsContact C-N 3.33Å; A125-A127 PolarHBondContact O-N 3.06Å; A125-A128 PolarHBondContact O-N 3.23Å; A125-F129 HydrophobicContact CB-CE2 4.33Å; A125-F129 WeakPolarHBondContact O-CD2 3.4Å; A125-F129 WeakPolarHBondContact O-CG 3.44Å; A125-F129 PolarHBondContact O-N 2.88Å |
| 126 | S | 81.3 | Confident | 77.6 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 3% | 0.028 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.3 | -46.6 | 172.5 | -172.2 | 0 | 0 | 0 | 0 | 111.6 | I122 S123 L124 F129 E130 H158 S161 | I122-S126 WeakPolarHBondContact O-CB 3.32Å; I122-S126 PolarHBondContact O-N 3.42Å; S123-S126 VanDerWaalsContact O-CB 3.32Å; S123-S126 WeakPolarHBondContact O-CB 3.26Å; S123-S126 PolarHBondContact O-N 2.91Å; L124-S126 VanDerWaalsContact C-N 3.31Å; L124-S126 PolarHBondContact O-N 3.25Å; S126-F129 PolarHBondContact O-N 2.88Å; S126-E130 WeakPolarHBondContact O-CB 3.37Å; S126-E130 PolarHBondContact O-N 3.49Å; S126-H158 WeakPolarHBondContact O-CB 3.45Å; S126-H158 PolarHBondContact OG-O 3.02Å; S126-S161 WeakPolarHBondContact CB-OG 3.21Å; S126-S161 PolarHBondContact OG-OG 3.11Å |
| 127 | A | 77 | Confident | 78.4 | Confident | 47 Ų | 47 | 57.6 Ų | 57.6 | 39% | 0.388 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S123 L124 A125 E130 V131 | S123-A127 PolarHBondContact O-N 2.84Å; L124-A127 WeakPolarHBondContact O-CB 3.29Å; L124-A127 PolarHBondContact O-N 3.44Å; L124-A127 VanDerWaalsContact O-N 3.14Å; A125-A127 VanDerWaalsContact C-N 3.33Å; A125-A127 PolarHBondContact O-N 3.06Å; A127-E130 PolarHBondContact O-N 3.25Å; A127-V131 WeakPolarHBondContact O-CG2 3.22Å; A127-V131 PolarHBondContact O-N 3.33Å |
| 128 | A | 79.1 | Confident | 78.9 | Confident | 59 Ų | 59 | 57.8 Ų | 57.8 | 49% | 0.488 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L124 A125 E130 V131 A132 | L124-A128 PolarHBondContact O-N 2.92Å; A125-A128 PolarHBondContact O-N 3.23Å; A128-E130 PolarHBondContact O-N 3.36Å; A128-V131 PolarHBondContact O-N 2.93Å; A128-A132 WeakPolarHBondContact O-CB 3.41Å; A128-A132 PolarHBondContact O-N 3.26Å |
| 129 | F | 84.8 | Confident | 79.5 | Confident | 109 Ų | 109 | 66.1 Ų | 66.1 | 48% | 0.478 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 176 | -77.2 | -56 | 0 | 0 | 0 | 112.8 | A125 S126 V131 R133 P157 H158 | A125-F129 HydrophobicContact CB-CE2 4.33Å; A125-F129 WeakPolarHBondContact O-CD2 3.4Å; A125-F129 WeakPolarHBondContact O-CG 3.44Å; A125-F129 PolarHBondContact O-N 2.88Å; S126-F129 PolarHBondContact O-N 2.88Å; F129-V131 VanDerWaalsContact C-N 3.34Å; F129-R133 VanDerWaalsContact O-CB 3.23Å; F129-R133 WeakPolarHBondContact O-CB 3.47Å; F129-R133 PolarHBondContact O-N 2.87Å; F129-P157 HydrophobicContact CB-CG 4.39Å; F129-P157 HydrophobicContact CD1-CG 4.17Å; F129-P157 HydrophobicContact CG-CG 4.24Å; F129-H158 HydrophobicContact CB-CB 3.78Å |
| 130 | E | 82.9 | Confident | 79.9 | Confident | 29 Ų | 29 | 67.7 Ų | 67.7 | 14% | 0.136 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 174.9 | 171.2 | 59.9 | -178.2 | 0 | 0 | 111.4 | S126 A127 A128 R133 R134 H158 | S126-E130 WeakPolarHBondContact O-CB 3.37Å; S126-E130 PolarHBondContact O-N 3.49Å; A127-E130 PolarHBondContact O-N 3.25Å; A128-E130 PolarHBondContact O-N 3.36Å; E130-R133 IonicContact OE2-NH1 3.46Å; E130-R134 WeakPolarHBondContact O-CG 3.44Å; E130-R134 PolarHBondContact O-N 2.85Å; E130-R134 VanDerWaalsContact O-N 3.12Å; E130-R134 IonicContact OE1-CZ 3.27Å; E130-R134 VanDerWaalsContact OE1-CZ 3.27Å; E130-R134 IonicContact OE1-NE 2.97Å; E130-R134 PolarHBondContact OE1-NE 3.45Å; E130-R134 IonicContact OE1-NH2 2.8Å; E130-R134 PolarHBondContact OE1-NH2 2.97Å; E130-H158 HydrophobicContact CB-CB 4.21Å; E130-H158 IonicContact OE2-CD2 3.58Å; E130-H158 IonicContact OE2-CE1 3.14Å; E130-H158 PolarHBondContact OE2-CE1 3.28Å; E130-H158 IonicContact OE2-CG 2.92Å; E130-H158 IonicContact OE2-ND1 3.97Å; E130-H158 PolarHBondContact OE2-ND1 3.39Å; E130-H158 IonicContact OE2-NE2 3.81Å; E130-H158 PolarHBondContact OE2-NE2 3.11Å |
| 131 | V | 82.3 | Confident | 80.2 | Confident | 41 Ų | 41 | 72.2 Ų | 72.2 | 25% | 0.248 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.8 | -50.9 | 176 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | L52 A127 A128 F129 R133 R134 F135 | L52-V131 HydrophobicContact CD2-CG1 3.5Å; L52-V131 VanDerWaalsContact CD2-CG1 3.5Å; L52-V131 HydrophobicContact CG-CG1 4.5Å; A127-V131 WeakPolarHBondContact O-CG2 3.22Å; A127-V131 PolarHBondContact O-N 3.33Å; A128-V131 PolarHBondContact O-N 2.93Å; F129-V131 VanDerWaalsContact C-N 3.34Å; V131-R133 PolarHBondContact O-N 3.22Å; V131-R134 WeakPolarHBondContact O-CB 3.31Å; V131-R134 PolarHBondContact O-N 3.11Å; V131-F135 HydrophobicContact CG1-CD2 3.82Å; V131-F135 HydrophobicContact CG1-CE2 3.68Å; V131-F135 VanDerWaalsContact O-CD2 3.29Å; V131-F135 WeakPolarHBondContact O-CD2 3.38Å; V131-F135 PolarHBondContact O-N 2.93Å |
| 132 | A | 83.1 | Confident | 80.1 | Confident | 56 Ų | 56 | 72.8 Ų | 72.8 | 46% | 0.463 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56.4 | -39.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A128 F135 Y136 | A128-A132 WeakPolarHBondContact O-CB 3.41Å; A128-A132 PolarHBondContact O-N 3.26Å; A132-F135 PolarHBondContact O-N 3.47Å; A132-Y136 PolarHBondContact O-N 3.23Å |
| 133 | R | 82.6 | Confident | 79.5 | Confident | 22 Ų | 22 | 77.4 Ų | 77.4 | 8% | 0.083 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 174.4 | 178.2 | -174.2 | 172 | -140.8 | -5.7 | 112.3 | F129 E130 V131 F135 Y136 L137 L155 H158 I232 T233 | F129-R133 VanDerWaalsContact O-CB 3.23Å; F129-R133 WeakPolarHBondContact O-CB 3.47Å; F129-R133 PolarHBondContact O-N 2.87Å; E130-R133 IonicContact OE2-NH1 3.46Å; V131-R133 PolarHBondContact O-N 3.22Å; R133-F135 VanDerWaalsContact C-N 3.28Å; R133-F135 PolarHBondContact O-N 2.85Å; R133-Y136 WeakPolarHBondContact O-CB 3.38Å; R133-Y136 PolarHBondContact O-N 3.23Å; R133-L137 HydrophobicContact CG-CD1 4.2Å; R133-L137 HydrophobicContact CG-CG 4.42Å; R133-L137 WeakPolarHBondContact O-CG 2.82Å; R133-L137 PolarHBondContact O-N 3.48Å; R133-L155 WeakPolarHBondContact CD-O 3.49Å; R133-H158 PolarHBondContact NH1-CE1 3.45Å; R133-H158 VanDerWaalsContact NH1-CE1 3.27Å; R133-I232 PolarHBondContact NH2-O 3.29Å; R133-T233 PolarHBondContact NH1-O 2.87Å; R133-T233 PolarHBondContact NH2-O 3.4Å |
| 134 | R | 82.4 | Confident | 79.2 | Confident | 159 Ų | 159 | 82.6 Ų | 82.6 | 60% | 0.6 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61 | -40.1 | 177.2 | -71 | 176.8 | -172.1 | -162.7 | 1.5 | 111.7 | E130 V131 L137 A138 | E130-R134 WeakPolarHBondContact O-CG 3.44Å; E130-R134 PolarHBondContact O-N 2.85Å; E130-R134 VanDerWaalsContact O-N 3.12Å; E130-R134 IonicContact OE1-CZ 3.27Å; E130-R134 VanDerWaalsContact OE1-CZ 3.27Å; E130-R134 IonicContact OE1-NE 2.97Å; E130-R134 PolarHBondContact OE1-NE 3.45Å; E130-R134 IonicContact OE1-NH2 2.8Å; E130-R134 PolarHBondContact OE1-NH2 2.97Å; V131-R134 WeakPolarHBondContact O-CB 3.31Å; V131-R134 PolarHBondContact O-N 3.11Å; R134-L137 PolarHBondContact O-N 2.86Å; R134-A138 WeakPolarHBondContact O-CB 2.9Å; R134-A138 PolarHBondContact O-N 3.35Å |
| 135 | F | 83.7 | Confident | 79.4 | Confident | 74 Ų | 74 | 79.8 Ų | 79.8 | 33% | 0.325 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 172.8 | -84 | -75.3 | 0 | 0 | 0 | 112.2 | L52 V131 A132 R133 L137 A138 W139 | L52-F135 HydrophobicContact CD1-CD2 4.32Å; L52-F135 HydrophobicContact CD1-CE1 3.97Å; L52-F135 HydrophobicContact CD1-CE2 3.3Å; L52-F135 HydrophobicContact CD1-CZ 3.1Å; L52-F135 HydrophobicContact CD2-CE2 3.9Å; L52-F135 HydrophobicContact CD2-CZ 4.5Å; L52-F135 HydrophobicContact CG-CE2 3.73Å; L52-F135 HydrophobicContact CG-CZ 3.85Å; V131-F135 HydrophobicContact CG1-CD2 3.82Å; V131-F135 HydrophobicContact CG1-CE2 3.68Å; V131-F135 VanDerWaalsContact O-CD2 3.29Å; V131-F135 WeakPolarHBondContact O-CD2 3.38Å; V131-F135 PolarHBondContact O-N 2.93Å; A132-F135 PolarHBondContact O-N 3.47Å; R133-F135 VanDerWaalsContact C-N 3.28Å; R133-F135 PolarHBondContact O-N 2.85Å; F135-L137 PolarHBondContact O-N 2.78Å; F135-A138 PolarHBondContact O-N 2.67Å; F135-W139 VanDerWaalsContact O-CB 3.26Å; F135-W139 WeakPolarHBondContact O-CB 3.39Å; F135-W139 PolarHBondContact O-N 2.82Å |
| 136 | Y | 83.3 | Confident | 79.6 | Confident | 145 Ų | 145 | 82.2 Ų | 82.2 | 57% | 0.569 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60.3 | -45.8 | 177.1 | 178.4 | -94.3 | 0 | 0 | 0 | 112.2 | A132 R133 W139 S140 | A132-Y136 PolarHBondContact O-N 3.23Å; R133-Y136 WeakPolarHBondContact O-CB 3.38Å; R133-Y136 PolarHBondContact O-N 3.23Å; Y136-W139 PolarHBondContact O-N 2.7Å; Y136-S140 WeakPolarHBondContact O-CB 3.4Å; Y136-S140 PolarHBondContact O-N 3.22Å; Y136-S140 PolarHBondContact O-OG 3.25Å; Y136-S140 VanDerWaalsContact O-OG 3.08Å |
| 137 | L | 82.6 | Confident | 79.8 | Confident | 21 Ų | 21 | 83.4 Ų | 83.4 | 11% | 0.11 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 179.8 | -67.4 | 178.9 | 0 | 0 | 0 | 112 | R133 R134 F135 W139 S140 D141 I232 | R133-L137 HydrophobicContact CG-CD1 4.2Å; R133-L137 HydrophobicContact CG-CG 4.42Å; R133-L137 WeakPolarHBondContact O-CG 2.82Å; R133-L137 PolarHBondContact O-N 3.48Å; R134-L137 PolarHBondContact O-N 2.86Å; F135-L137 PolarHBondContact O-N 2.78Å; L137-W139 VanDerWaalsContact C-N 3.31Å; L137-W139 PolarHBondContact O-N 3.27Å; L137-S140 WeakPolarHBondContact CA-OG 3.39Å; L137-S140 PolarHBondContact O-N 2.9Å; L137-S140 PolarHBondContact O-OG 3.37Å; L137-D141 PolarHBondContact O-N 3.22Å; L137-I232 HydrophobicContact CD1-CG1 4.47Å; L137-I232 HydrophobicContact CD2-CD1 3.4Å; L137-I232 VanDerWaalsContact CD2-CD1 3.4Å; L137-I232 HydrophobicContact CD2-CG1 3.53Å |
| 138 | A | 80.8 | Confident | 80.2 | Confident | 63 Ų | 63 | 83.2 Ų | 83.2 | 52% | 0.521 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.5 | -37.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R134 F135 S140 | R134-A138 WeakPolarHBondContact O-CB 2.9Å; R134-A138 PolarHBondContact O-N 3.35Å; F135-A138 PolarHBondContact O-N 2.67Å; A138-S140 VanDerWaalsContact C-N 3.34Å |
| 139 | W | 84.3 | Confident | 80.4 | Confident | 237 Ų | 237 | 80.4 Ų | 80.4 | 90% | 0.898 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68.5 | -33.5 | 176.4 | -174.1 | -85 | 0 | 0 | 0 | 112.9 | F135 Y136 L137 | F135-W139 VanDerWaalsContact O-CB 3.26Å; F135-W139 WeakPolarHBondContact O-CB 3.39Å; F135-W139 PolarHBondContact O-N 2.82Å; Y136-W139 PolarHBondContact O-N 2.7Å; L137-W139 VanDerWaalsContact C-N 3.31Å; L137-W139 PolarHBondContact O-N 3.27Å |
| 140 | S | 81 | Confident | 80.4 | Confident | 36 Ų | 36 | 77.5 Ų | 77.5 | 25% | 0.252 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -82.2 | -12.3 | -176 | 63.2 | 0 | 0 | 0 | 0 | 114.4 | Y136 L137 A138 I142 | Y136-S140 WeakPolarHBondContact O-CB 3.4Å; Y136-S140 PolarHBondContact O-N 3.22Å; Y136-S140 PolarHBondContact O-OG 3.25Å; Y136-S140 VanDerWaalsContact O-OG 3.08Å; L137-S140 WeakPolarHBondContact CA-OG 3.39Å; L137-S140 PolarHBondContact O-N 2.9Å; L137-S140 PolarHBondContact O-OG 3.37Å; A138-S140 VanDerWaalsContact C-N 3.34Å; S140-I142 VanDerWaalsContact C-N 3.27Å; S140-I142 WeakPolarHBondContact O-CG1 3.48Å; S140-I142 PolarHBondContact O-N 2.88Å; S140-I142 WeakPolarHBondContact OG-CG1 3.25Å |
| 141 | D | 75.8 | Confident | 80.6 | Confident | 145 Ų | 145 | 78.6 Ų | 78.6 | 78% | 0.775 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 39.5 | -176.6 | -157.1 | 21.4 | 0 | 0 | 0 | 113.7 | L137 | L137-D141 PolarHBondContact O-N 3.22Š|
| 142 | I | 73.1 | Confident | 80.8 | Confident | 78 Ų | 78 | 76.7 Ų | 76.7 | 40% | 0.4 | 40% | 0.398 | S | S | . | . | trans | -118.2 | 37.8 | -175.4 | -31.6 | 177.7 | 0 | 0 | 0 | 111.7 | S140 D144 A145 I232 | S140-I142 VanDerWaalsContact C-N 3.27Å; S140-I142 WeakPolarHBondContact O-CG1 3.48Å; S140-I142 PolarHBondContact O-N 2.88Å; S140-I142 WeakPolarHBondContact OG-CG1 3.25Å; I142-D144 PolarHBondContact O-N 3.5Å; I142-D144 VanDerWaalsContact O-N 3.11Å; I142-A145 HydrophobicContact CB-CB 4.14Å; I142-A145 HydrophobicContact CG2-CB 3.15Å; I142-A145 WeakPolarHBondContact O-CB 3.48Å; I142-A145 PolarHBondContact O-N 2.86Å; I142-I232 HydrophobicContact CB-CD1 4.44Å; I142-I232 WeakPolarHBondContact O-CG2 3.46Å | ||
| 143 | E | 65.2 | Low | 80.9 | Confident | 131 Ų | 131 | 74 Ų | 74 | 61% | 0.612 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -28.8 | -173 | -62.2 | -158.6 | 153.4 | 0 | 0 | 113.7 | I232 | E143-I232 VanDerWaalsContact O-CG2 3.26Å; E143-I232 WeakPolarHBondContact O-CG2 3.43Å |
| 144 | D | 68 | Low | 81 | Confident | 156 Ų | 156 | 80.2 Ų | 80.2 | 83% | 0.834 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 10.6 | 179.6 | -68.9 | -37 | 0 | 0 | 0 | 114.3 | I142 | I142-D144 PolarHBondContact O-N 3.5Å; I142-D144 VanDerWaalsContact O-N 3.11Å |
| 145 | A | 77.3 | Confident | 81.1 | Confident | 23 Ų | 23 | 75.7 Ų | 75.7 | 19% | 0.19 | 39% | 0.392 | C | S | . | . | trans | -63 | 149.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I142 I232 | I142-A145 HydrophobicContact CB-CB 4.14Å; I142-A145 HydrophobicContact CG2-CB 3.15Å; I142-A145 WeakPolarHBondContact O-CB 3.48Å; I142-A145 PolarHBondContact O-N 2.86Å; A145-I232 HydrophobicContact CB-CB 4.12Å; A145-I232 HydrophobicContact CB-CD1 3.66Å; A145-I232 HydrophobicContact CB-CG1 4.46Å; A145-I232 HydrophobicContact CB-CG2 4.48Å; A145-I232 VanDerWaalsContact O-CB 3.31Å; A145-I232 WeakPolarHBondContact O-CB 3.24Å; A145-I232 PolarHBondContact O-N 3.27Å | ||
| 146 | V | 81.9 | Confident | 81.1 | Confident | 92 Ų | 92 | 72.2 Ų | 72.2 | 56% | 0.558 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125.8 | -178.4 | 172.7 | 0 | 0 | 0 | 0 | 107.4 | I229 | V146-I229 HydrophobicContact CB-CG2 4.31Å; V146-I229 HydrophobicContact CG1-CB 4.23Å; V146-I229 HydrophobicContact CG1-CG2 2.92Å |
| 147 | V | 84 | Confident | 81.2 | Confident | 28 Ų | 28 | 67.9 Ų | 67.9 | 17% | 0.17 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 154.5 | -172.5 | -71.2 | 0 | 0 | 0 | 0 | 111.5 | C152 L155 V230 | V147-C152 HydrophobicContact CG2-CB 3.93Å; V147-L155 HydrophobicContact CG1-CD1 4.38Å; V147-V230 PolarHBondContact N-O 3.06Å; V147-V230 PolarHBondContact O-N 2.75Å |
| 148 | S | 85.3 | Confident | 81.3 | Confident | 43 Ų | 43 | 67 Ų | 67 | 30% | 0.301 | 36% | 0.362 | S | S | . | . | trans | -63.4 | 151.3 | 170 | 78.1 | 0 | 0 | 0 | 0 | 110.4 | S150 S151 C152 | S148-S150 PolarHBondContact O-N 2.88Å; S148-S150 PolarHBondContact OG-OG 2.88Å; S148-S151 PolarHBondContact O-N 3.46Å; S148-S151 VanDerWaalsContact O-N 3.12Å; S148-S151 WeakPolarHBondContact OG-CB 3.49Å; S148-S151 PolarHBondContact OG-N 3.28Å; S148-S151 VanDerWaalsContact OG-N 3.09Å; S148-S151 PolarHBondContact OG-OG 2.68Å; S148-C152 VanDerWaalsContact O-CB 3.31Å; S148-C152 WeakPolarHBondContact O-CB 3.46Å; S148-C152 PolarHBondContact O-N 2.86Å | ||
| 149 | P | 84.8 | Confident | 81.6 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.6 | -31.8 | -179.5 | -21.2 | 34.9 | 0 | 0 | 0 | 112.1 | C152 L153 V222 K228 V230 | P149-C152 WeakPolarHBondContact O-CB 3.33Å; P149-C152 PolarHBondContact O-N 3.25Å; P149-L153 PolarHBondContact O-N 3.26Å; P149-L153 VanDerWaalsContact O-N 3.09Å; P149-V222 HydrophobicContact CB-CG1 3.36Å; P149-K228 WeakPolarHBondContact CD-O 3.46Å; P149-K228 HydrophobicContact CG-CB 4.11Å; P149-K228 VanDerWaalsContact CG-O 3.25Å; P149-K228 WeakPolarHBondContact CG-O 3.21Å; P149-V230 HydrophobicContact CB-CG2 4.34Å; P149-V230 HydrophobicContact CG-CG2 3.96Å |
| 150 | S | 85 | Confident | 81.7 | Confident | 47 Ų | 47 | 54.9 Ų | 54.9 | 33% | 0.329 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.2 | -48 | 172.1 | 39 | 0 | 0 | 0 | 0 | 112.4 | S148 C152 L153 F154 | S148-S150 PolarHBondContact O-N 2.88Å; S148-S150 PolarHBondContact OG-OG 2.88Å; S150-C152 PolarHBondContact O-N 3.29Å; S150-L153 WeakPolarHBondContact O-CB 3.34Å; S150-L153 PolarHBondContact O-N 3.3Å; S150-L153 VanDerWaalsContact O-N 3.16Å; S150-F154 WeakPolarHBondContact O-CD2 3.48Å; S150-F154 PolarHBondContact O-N 3.48Å |
| 151 | S | 86.2 | Confident | 82 | Confident | 53 Ų | 53 | 54.2 Ų | 54.2 | 37% | 0.371 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 176.9 | -58.9 | 0 | 0 | 0 | 0 | 111 | S148 L153 F154 L155 | S148-S151 PolarHBondContact O-N 3.46Å; S148-S151 VanDerWaalsContact O-N 3.12Å; S148-S151 WeakPolarHBondContact OG-CB 3.49Å; S148-S151 PolarHBondContact OG-N 3.28Å; S148-S151 VanDerWaalsContact OG-N 3.09Å; S148-S151 PolarHBondContact OG-OG 2.68Å; S151-L153 PolarHBondContact O-N 2.88Å; S151-F154 PolarHBondContact O-N 3.46Å; S151-L155 WeakPolarHBondContact O-CB 3.35Å; S151-L155 WeakPolarHBondContact O-CG 3.27Å; S151-L155 PolarHBondContact O-N 3.1Å |
| 152 | C | 86.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 176.1 | -176.9 | 0 | 0 | 0 | 0 | 112.6 | V147 S148 P149 S150 L155 A156 C234 C239 | V147-C152 HydrophobicContact CG2-CB 3.93Å; S148-C152 VanDerWaalsContact O-CB 3.31Å; S148-C152 WeakPolarHBondContact O-CB 3.46Å; S148-C152 PolarHBondContact O-N 2.86Å; P149-C152 WeakPolarHBondContact O-CB 3.33Å; P149-C152 PolarHBondContact O-N 3.25Å; S150-C152 PolarHBondContact O-N 3.29Å; C152-L155 PolarHBondContact O-N 2.66Å; C152-A156 VanDerWaalsContact O-CB 3.23Å; C152-A156 WeakPolarHBondContact O-CB 3.3Å; C152-A156 PolarHBondContact O-N 2.83Å; C152-C234 WeakPolarHBondContact CA-SG 3.23Å; C152-C234 HydrophobicContact CB-CB 4.29Å; C152-C234 WeakPolarHBondContact CB-SG 3.25Å; C152-C234 WeakPolarHBondContact SG-CA 3.5Å; C152-C234 WeakPolarHBondContact SG-CB 3.31Å; C152-C234 CovalentContact SG-SG 2.01Å; C152-C234 PolarHBondContact SG-SG 3.42Å; C152-C239 VanDerWaalsContact SG-SG 3.61Å |
| 153 | L | 84.4 | Confident | 83.2 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 173.2 | -73.9 | 176.8 | 0 | 0 | 0 | 113.1 | P149 S150 S151 L155 A156 W218 W219 V222 | P149-L153 PolarHBondContact O-N 3.26Å; P149-L153 VanDerWaalsContact O-N 3.09Å; S150-L153 WeakPolarHBondContact O-CB 3.34Å; S150-L153 PolarHBondContact O-N 3.3Å; S150-L153 VanDerWaalsContact O-N 3.16Å; S151-L153 PolarHBondContact O-N 2.88Å; L153-L155 VanDerWaalsContact C-N 3.34Å; L153-A156 CarbonylContact O-C 3.49Å; L153-A156 PolarHBondContact O-N 2.72Å; L153-W218 HydrophobicContact CD2-CD2 4.37Å; L153-W218 HydrophobicContact CD2-CE3 4.26Å; L153-W218 HydrophobicContact CD2-CH2 3.1Å; L153-W218 HydrophobicContact CD2-CZ2 3.35Å; L153-W218 HydrophobicContact CD2-CZ3 3.63Å; L153-W219 HydrophobicContact CB-CH2 4.1Å; L153-W219 HydrophobicContact CB-CZ2 4.14Å; L153-W219 HydrophobicContact CB-CZ3 4.45Å; L153-W219 HydrophobicContact CD1-CD2 3.87Å; L153-W219 HydrophobicContact CD1-CE3 3.96Å; L153-W219 HydrophobicContact CD1-CG 4.24Å; L153-W219 HydrophobicContact CD1-CZ3 4.33Å; L153-V222 HydrophobicContact CD1-CB 3.73Å; L153-V222 HydrophobicContact CD1-CG1 3.55Å; L153-V222 HydrophobicContact CD1-CG2 4.11Å; L153-V222 HydrophobicContact CG-CG1 3.99Å |
| 154 | F | 84.9 | Confident | 84.3 | Confident | 151 Ų | 151 | 44.6 Ų | 44.6 | 66% | 0.662 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -67.1 | -35.7 | 177 | -75.4 | -70.8 | 0 | 0 | 0 | 112.4 | S150 S151 A156 W219 | S150-F154 WeakPolarHBondContact O-CD2 3.48Å; S150-F154 PolarHBondContact O-N 3.48Å; S151-F154 PolarHBondContact O-N 3.46Å; F154-A156 VanDerWaalsContact C-N 3.32Å; F154-W219 HydrophobicContact CD1-CH2 4.14Å; F154-W219 AromaticContact CE1-CH2 3.83Å; F154-W219 HydrophobicContact CE1-CH2 3.83Å; F154-W219 HydrophobicContact CE1-CZ3 4.24Å; F154-W219 HydrophobicContact CE2-CH2 4.24Å; F154-W219 HydrophobicContact CE2-CZ3 4.05Å; F154-W219 HydrophobicContact CG-CH2 4.48Å; F154-W219 AromaticContact CZ-CH2 3.87Å; F154-W219 HydrophobicContact CZ-CH2 3.87Å; F154-W219 AromaticContact CZ-CZ3 3.81Å; F154-W219 HydrophobicContact CZ-CZ3 3.81Å |
| 155 | L | 84.3 | Confident | 85.2 | Confident | 65 Ų | 65 | 37.3 Ų | 37.3 | 34% | 0.34 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -75.4 | -19.6 | 176.6 | -72.1 | 163.4 | 0 | 0 | 0 | 113.1 | R133 V147 S151 C152 L153 P157 | R133-L155 WeakPolarHBondContact CD-O 3.49Å; V147-L155 HydrophobicContact CG1-CD1 4.38Å; S151-L155 WeakPolarHBondContact O-CB 3.35Å; S151-L155 WeakPolarHBondContact O-CG 3.27Å; S151-L155 PolarHBondContact O-N 3.1Å; C152-L155 PolarHBondContact O-N 2.66Å; L153-L155 VanDerWaalsContact C-N 3.34Å; L155-P157 WeakPolarHBondContact O-CD 3.22Å |
| 156 | A | 84.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -122.8 | 59 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | C152 L153 F154 H158 L159 C234 | C152-A156 VanDerWaalsContact O-CB 3.23Å; C152-A156 WeakPolarHBondContact O-CB 3.3Å; C152-A156 PolarHBondContact O-N 2.83Å; L153-A156 CarbonylContact O-C 3.49Å; L153-A156 PolarHBondContact O-N 2.72Å; F154-A156 VanDerWaalsContact C-N 3.32Å; A156-H158 VanDerWaalsContact CB-CE1 3.47Å; A156-H158 WeakPolarHBondContact CB-CE1 3.3Å; A156-H158 PolarHBondContact O-N 3.27Å; A156-H158 VanDerWaalsContact O-N 3.1Å; A156-L159 HydrophobicContact CB-CD1 3.78Å; A156-L159 HydrophobicContact CB-CG 4.03Å; A156-L159 WeakPolarHBondContact O-CB 3.48Å; A156-L159 PolarHBondContact O-N 3.5Å; A156-C234 HydrophobicContact CB-CB 4.06Å | ||
| 157 | P | 85.2 | Confident | 86 | Confident | 55 Ų | 55 | 34 Ų | 34 | 36% | 0.357 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61 | -26 | -177.2 | 25.5 | -34.9 | 0 | 0 | 0 | 113.2 | F129 L155 L159 T160 S161 | F129-P157 HydrophobicContact CB-CG 4.39Å; F129-P157 HydrophobicContact CD1-CG 4.17Å; F129-P157 HydrophobicContact CG-CG 4.24Å; L155-P157 WeakPolarHBondContact O-CD 3.22Å; P157-L159 PolarHBondContact O-N 3.05Å; P157-T160 WeakPolarHBondContact O-CB 3.19Å; P157-T160 PolarHBondContact O-N 3.2Å; P157-T160 VanDerWaalsContact O-N 3.13Å; P157-S161 PolarHBondContact O-N 3.42Å; P157-S161 VanDerWaalsContact O-N 3.14Å |
| 158 | H | 85.4 | Confident | 86.2 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.5 | -28.1 | 175.5 | 66.4 | -84.3 | 0 | 0 | 0 | 113.4 | S126 F129 E130 R133 A156 S161 R162 | S126-H158 WeakPolarHBondContact O-CB 3.45Å; S126-H158 PolarHBondContact OG-O 3.02Å; F129-H158 HydrophobicContact CB-CB 3.78Å; E130-H158 HydrophobicContact CB-CB 4.21Å; E130-H158 IonicContact OE2-CD2 3.58Å; E130-H158 IonicContact OE2-CE1 3.14Å; E130-H158 PolarHBondContact OE2-CE1 3.28Å; E130-H158 IonicContact OE2-CG 2.92Å; E130-H158 IonicContact OE2-ND1 3.97Å; E130-H158 PolarHBondContact OE2-ND1 3.39Å; E130-H158 IonicContact OE2-NE2 3.81Å; E130-H158 PolarHBondContact OE2-NE2 3.11Å; R133-H158 PolarHBondContact NH1-CE1 3.45Å; R133-H158 VanDerWaalsContact NH1-CE1 3.27Å; A156-H158 VanDerWaalsContact CB-CE1 3.47Å; A156-H158 WeakPolarHBondContact CB-CE1 3.3Å; A156-H158 PolarHBondContact O-N 3.27Å; A156-H158 VanDerWaalsContact O-N 3.1Å; H158-S161 WeakPolarHBondContact CA-OG 3.33Å; H158-S161 PolarHBondContact O-OG 2.92Å; H158-R162 VanDerWaalsContact O-CB 3.24Å; H158-R162 WeakPolarHBondContact O-CB 3.16Å; H158-R162 PolarHBondContact O-N 3.46Å |
| 159 | L | 85.9 | Confident | 86.2 | Confident | 13 Ų | 13 | 31.7 Ų | 31.7 | 7% | 0.068 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.4 | -41.4 | 177 | -66.4 | 178.2 | 0 | 0 | 0 | 110.6 | A156 P157 R162 V163 W218 C234 | A156-L159 HydrophobicContact CB-CD1 3.78Å; A156-L159 HydrophobicContact CB-CG 4.03Å; A156-L159 WeakPolarHBondContact O-CB 3.48Å; A156-L159 PolarHBondContact O-N 3.5Å; P157-L159 PolarHBondContact O-N 3.05Å; L159-R162 PolarHBondContact O-N 3.44Å; L159-V163 WeakPolarHBondContact O-CG2 3.26Å; L159-V163 PolarHBondContact O-N 3.33Å; L159-W218 HydrophobicContact CB-CH2 3.2Å; L159-W218 HydrophobicContact CB-CZ2 4.05Å; L159-W218 HydrophobicContact CB-CZ3 3.86Å; L159-W218 HydrophobicContact CD1-CH2 3.94Å; L159-W218 HydrophobicContact CD1-CZ2 4.16Å; L159-W218 HydrophobicContact CG-CH2 4.2Å; L159-C234 HydrophobicContact CD1-CB 4.49Å |
| 160 | T | 87.4 | Confident | 86.4 | Confident | 32 Ų | 32 | 31.7 Ų | 31.7 | 20% | 0.196 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.8 | -48.2 | 176.4 | -58.1 | 0 | 0 | 0 | 0 | 110.6 | P157 R162 V163 F164 V215 W218 W219 | P157-T160 WeakPolarHBondContact O-CB 3.19Å; P157-T160 PolarHBondContact O-N 3.2Å; P157-T160 VanDerWaalsContact O-N 3.13Å; T160-R162 VanDerWaalsContact C-N 3.27Å; T160-R162 PolarHBondContact O-N 2.81Å; T160-V163 PolarHBondContact O-N 3.4Å; T160-F164 PolarHBondContact O-N 3.18Å; T160-V215 HydrophobicContact CG2-CG1 3.56Å; T160-V215 HydrophobicContact CG2-CG2 4.44Å; T160-W218 WeakPolarHBondContact OG1-CZ3 3.34Å; T160-W219 PolarHBondContact OG1-NE1 3.28Å |
| 161 | S | 86.3 | Confident | 86.7 | Confident | 22 Ų | 22 | 31.2 Ų | 31.2 | 15% | 0.154 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.7 | -33.7 | 178.9 | 72.4 | 0 | 0 | 0 | 0 | 112.1 | S126 P157 H158 S165 | S126-S161 WeakPolarHBondContact CB-OG 3.21Å; S126-S161 PolarHBondContact OG-OG 3.11Å; P157-S161 PolarHBondContact O-N 3.42Å; P157-S161 VanDerWaalsContact O-N 3.14Å; H158-S161 WeakPolarHBondContact CA-OG 3.33Å; H158-S161 PolarHBondContact O-OG 2.92Å; S161-S165 VanDerWaalsContact O-CB 3.23Å; S161-S165 WeakPolarHBondContact O-CB 3.26Å; S161-S165 PolarHBondContact O-N 3.26Å |
| 162 | R | 85.1 | Confident | 86.6 | Confident | 106 Ų | 106 | 29.3 Ų | 29.3 | 40% | 0.4 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -68.1 | -44.4 | 176.2 | -172.4 | 178.3 | -67.6 | 150.9 | 1.3 | 112.1 | H158 L159 T160 F164 N166 | H158-R162 VanDerWaalsContact O-CB 3.24Å; H158-R162 WeakPolarHBondContact O-CB 3.16Å; H158-R162 PolarHBondContact O-N 3.46Å; L159-R162 PolarHBondContact O-N 3.44Å; T160-R162 VanDerWaalsContact C-N 3.27Å; T160-R162 PolarHBondContact O-N 2.81Å; R162-F164 VanDerWaalsContact C-N 3.33Å; R162-N166 VanDerWaalsContact O-CB 3.28Å; R162-N166 WeakPolarHBondContact O-CB 3.34Å; R162-N166 VanDerWaalsContact O-CG 3.27Å; R162-N166 PolarHBondContact O-N 3.48Å |
| 163 | V | 88.8 | Confident | 86.5 | Confident | 17 Ų | 17 | 29.4 Ų | 29.4 | 10% | 0.103 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 175.3 | 172.2 | 0 | 0 | 0 | 0 | 110.4 | L159 T160 T167 V215 W218 F243 Y251 | L159-V163 WeakPolarHBondContact O-CG2 3.26Å; L159-V163 PolarHBondContact O-N 3.33Å; T160-V163 PolarHBondContact O-N 3.4Å; V163-T167 VanDerWaalsContact O-CB 3.27Å; V163-T167 WeakPolarHBondContact O-CB 3.47Å; V163-T167 PolarHBondContact O-N 3.45Å; V163-T167 PolarHBondContact O-OG1 3.15Å; V163-V215 HydrophobicContact CB-CG2 4.5Å; V163-V215 HydrophobicContact CG1-CG2 4.17Å; V163-W218 HydrophobicContact CB-CE3 4.49Å; V163-W218 HydrophobicContact CG2-CD2 4.27Å; V163-W218 HydrophobicContact CG2-CE3 3.99Å; V163-W218 HydrophobicContact CG2-CZ3 4.41Å; V163-F243 HydrophobicContact CG1-CZ 4.01Å; V163-F243 HydrophobicContact CG2-CE1 4.25Å; V163-Y251 PolarHBondContact O-OH 2.91Å |
| 164 | F | 89.8 | Confident | 86.7 | Confident | 29 Ų | 29 | 30.7 Ų | 30.7 | 13% | 0.127 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.2 | -53.3 | 177.4 | -179.6 | -104.1 | 0 | 0 | 0 | 112.4 | I122 T160 R162 N166 T167 N168 T208 M212 V215 | I122-F164 HydrophobicContact CD1-CD1 3.98Å; I122-F164 HydrophobicContact CD1-CE1 3.74Å; T160-F164 PolarHBondContact O-N 3.18Å; R162-F164 VanDerWaalsContact C-N 3.33Å; F164-N166 PolarHBondContact O-N 3.29Å; F164-T167 PolarHBondContact O-N 3.27Å; F164-N168 WeakPolarHBondContact O-CB 3.29Å; F164-N168 PolarHBondContact O-N 3.15Å; F164-T208 HydrophobicContact CE2-CG2 4.44Å; F164-T208 HydrophobicContact CZ-CG2 4.2Å; F164-M212 HydrophobicContact CD2-CE 3.08Å; F164-M212 HydrophobicContact CE2-CE 3.15Å; F164-M212 HydrophobicContact CE2-CG 4.11Å; F164-M212 HydrophobicContact CE2-SD 4.43Å; F164-M212 HydrophobicContact CG-CE 3.83Å; F164-M212 HydrophobicContact CZ-CE 3.96Å; F164-V215 HydrophobicContact CB-CG2 3.88Å; F164-V215 HydrophobicContact CD2-CG2 4.44Å |
| 165 | S | 85.7 | Confident | 86.8 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.3 | -47.8 | -177.6 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | N119 S123 S161 T167 N168 F169 | N119-S165 PolarHBondContact O-OG 3.25Å; S123-S165 PolarHBondContact OG-OG 2.91Å; S161-S165 VanDerWaalsContact O-CB 3.23Å; S161-S165 WeakPolarHBondContact O-CB 3.26Å; S161-S165 PolarHBondContact O-N 3.26Å; S165-T167 PolarHBondContact O-N 2.87Å; S165-N168 PolarHBondContact O-N 3.23Å; S165-F169 VanDerWaalsContact O-CB 3.27Å; S165-F169 WeakPolarHBondContact O-CB 3.24Å; S165-F169 PolarHBondContact O-N 3.44Å |
| 166 | N | 86.1 | Confident | 86.7 | Confident | 47 Ų | 47 | 22.4 Ų | 22.4 | 25% | 0.251 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -64.6 | -42.9 | -179.8 | -72.7 | -1.5 | 0 | 0 | 0 | 111.4 | R162 F164 F169 T170 Y251 | R162-N166 VanDerWaalsContact O-CB 3.28Å; R162-N166 WeakPolarHBondContact O-CB 3.34Å; R162-N166 VanDerWaalsContact O-CG 3.27Å; R162-N166 PolarHBondContact O-N 3.48Å; F164-N166 PolarHBondContact O-N 3.29Å; N166-F169 PolarHBondContact O-N 2.9Å; N166-T170 PolarHBondContact O-N 2.88Å; N166-T170 PolarHBondContact O-OG1 3.46Å; N166-Y251 HydrophobicContact CB-CE1 4.15Å; N166-Y251 HydrophobicContact CB-CE2 4.17Å; N166-Y251 WeakPolarHBondContact CB-OH 2.89Å |
| 167 | T | 90.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61 | -48.5 | 176.5 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | V163 F164 S165 F169 T170 F171 S211 N214 F250 Y251 | V163-T167 VanDerWaalsContact O-CB 3.27Å; V163-T167 WeakPolarHBondContact O-CB 3.47Å; V163-T167 PolarHBondContact O-N 3.45Å; V163-T167 PolarHBondContact O-OG1 3.15Å; F164-T167 PolarHBondContact O-N 3.27Å; S165-T167 PolarHBondContact O-N 2.87Å; T167-F169 VanDerWaalsContact C-N 3.32Å; T167-F169 PolarHBondContact O-N 2.96Å; T167-T170 PolarHBondContact O-N 3.21Å; T167-F171 HydrophobicContact CG2-CD2 3.93Å; T167-F171 HydrophobicContact CG2-CE2 3.44Å; T167-F171 VanDerWaalsContact CG2-CE2 3.44Å; T167-F171 HydrophobicContact CG2-CZ 4.34Å; T167-F171 WeakPolarHBondContact O-CD2 3.44Å; T167-F171 PolarHBondContact O-N 3.46Å; T167-F171 VanDerWaalsContact O-N 3.11Å; T167-S211 WeakPolarHBondContact CG2-OG 3.26Å; T167-N214 HydrophobicContact CG2-CB 4.3Å; T167-N214 WeakPolarHBondContact CG2-ND2 3.2Å; T167-F250 HydrophobicContact CG2-CE1 4.11Å; T167-F250 HydrophobicContact CG2-CZ 4.46Å; T167-Y251 PolarHBondContact OG1-OH 2.93Å |
| 168 | N | 87.8 | Confident | 86.6 | Confident | 13 Ų | 13 | 22.9 Ų | 22.9 | 7% | 0.07 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.1 | -45.4 | 179.5 | -168.7 | -4.5 | 0 | 0 | 0 | 110.6 | N119 F164 S165 T170 F171 V172 S211 | N119-N168 PolarHBondContact OD1-ND2 2.88Å; F164-N168 WeakPolarHBondContact O-CB 3.29Å; F164-N168 PolarHBondContact O-N 3.15Å; S165-N168 PolarHBondContact O-N 3.23Å; N168-T170 PolarHBondContact O-N 3.4Å; N168-F171 PolarHBondContact O-N 2.88Å; N168-V172 VanDerWaalsContact O-CG2 3.3Å; N168-V172 WeakPolarHBondContact O-CG2 3.41Å; N168-V172 PolarHBondContact O-N 2.99Å; N168-S211 WeakPolarHBondContact CA-OG 3.48Å; N168-S211 PolarHBondContact N-OG 3.34Å |
| 169 | F | 86.4 | Confident | 86.5 | Confident | 9 Ų | 9 | 22.9 Ų | 22.9 | 4% | 0.039 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62 | -40.9 | 177.3 | -179.7 | -97.3 | 0 | 0 | 0 | 112.9 | S165 N166 T167 F171 V172 S173 Y327 P328 T331 | S165-F169 VanDerWaalsContact O-CB 3.27Å; S165-F169 WeakPolarHBondContact O-CB 3.24Å; S165-F169 PolarHBondContact O-N 3.44Å; N166-F169 PolarHBondContact O-N 2.9Å; T167-F169 VanDerWaalsContact C-N 3.32Å; T167-F169 PolarHBondContact O-N 2.96Å; F169-F171 VanDerWaalsContact C-N 3.31Å; F169-F171 PolarHBondContact O-N 3.26Å; F169-V172 PolarHBondContact O-N 2.55Å; F169-S173 WeakPolarHBondContact O-CB 3.48Å; F169-S173 PolarHBondContact O-N 2.79Å; F169-S173 PolarHBondContact O-OG 3.4Å; F169-Y327 HydrophobicContact CD1-CD1 4.47Å; F169-Y327 AromaticContact CE1-CD1 3.48Å; F169-Y327 HydrophobicContact CE1-CD1 3.48Å; F169-Y327 VanDerWaalsContact CE1-CD1 3.48Å; F169-Y327 AromaticContact CE1-CE1 3.46Å; F169-Y327 HydrophobicContact CE1-CE1 3.46Å; F169-Y327 VanDerWaalsContact CE1-CE1 3.46Å; F169-Y327 HydrophobicContact CE1-CG 4.45Å; F169-Y327 HydrophobicContact CZ-CD1 4.13Å; F169-Y327 HydrophobicContact CZ-CE1 4.07Å; F169-P328 HydrophobicContact CD1-CB 4.48Å; F169-P328 HydrophobicContact CD1-CG 3.97Å; F169-P328 HydrophobicContact CD2-CB 3.78Å; F169-P328 HydrophobicContact CD2-CG 4.1Å; F169-P328 HydrophobicContact CE1-CB 4.28Å; F169-P328 HydrophobicContact CE1-CG 3.94Å; F169-P328 VanDerWaalsContact CE2-CA 3.46Å; F169-P328 HydrophobicContact CE2-CB 3.55Å; F169-P328 HydrophobicContact CE2-CG 4.08Å; F169-P328 HydrophobicContact CG-CB 4.26Å; F169-P328 HydrophobicContact CG-CG 4.06Å; F169-P328 HydrophobicContact CZ-CB 3.85Å; F169-P328 HydrophobicContact CZ-CG 4.02Å; F169-T331 HydrophobicContact CZ-CG2 4.1Å |
| 170 | T | 89.1 | Confident | 86.1 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.3 | -40 | 174.3 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | N166 T167 N168 S173 I174 F250 Y251 | N166-T170 PolarHBondContact O-N 2.88Å; N166-T170 PolarHBondContact O-OG1 3.46Å; T167-T170 PolarHBondContact O-N 3.21Å; N168-T170 PolarHBondContact O-N 3.4Å; T170-S173 WeakPolarHBondContact CA-OG 3.42Å; T170-S173 PolarHBondContact O-N 2.96Å; T170-S173 PolarHBondContact O-OG 3.4Å; T170-I174 HydrophobicContact CG2-CD1 3.96Å; T170-I174 WeakPolarHBondContact O-CD1 3.48Å; T170-I174 WeakPolarHBondContact O-CG1 3.42Å; T170-I174 PolarHBondContact O-N 3.32Å; T170-I174 VanDerWaalsContact O-N 3.11Å; T170-F250 HydrophobicContact CG2-CE1 4.47Å; T170-Y251 WeakPolarHBondContact OG1-CD1 3.41Å |
| 171 | F | 89.9 | Confident | 85.8 | Confident | 36 Ų | 36 | 22.6 Ų | 22.6 | 16% | 0.158 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | 175.1 | -73 | -56.8 | 0 | 0 | 0 | 112.5 | T167 N168 F169 I174 A175 F207 A210 F250 | T167-F171 HydrophobicContact CG2-CD2 3.93Å; T167-F171 HydrophobicContact CG2-CE2 3.44Å; T167-F171 VanDerWaalsContact CG2-CE2 3.44Å; T167-F171 HydrophobicContact CG2-CZ 4.34Å; T167-F171 WeakPolarHBondContact O-CD2 3.44Å; T167-F171 PolarHBondContact O-N 3.46Å; T167-F171 VanDerWaalsContact O-N 3.11Å; N168-F171 PolarHBondContact O-N 2.88Å; F169-F171 VanDerWaalsContact C-N 3.31Å; F169-F171 PolarHBondContact O-N 3.26Å; F171-I174 PolarHBondContact O-N 2.93Å; F171-A175 WeakPolarHBondContact O-CB 3.4Å; F171-A175 PolarHBondContact O-N 2.82Å; F171-F207 HydrophobicContact CB-CB 4.09Å; F171-F207 HydrophobicContact CB-CD1 3.59Å; F171-F207 HydrophobicContact CB-CD2 3.92Å; F171-F207 HydrophobicContact CB-CE1 3.97Å; F171-F207 HydrophobicContact CB-CE2 4.25Å; F171-F207 HydrophobicContact CB-CG 3.6Å; F171-F207 HydrophobicContact CB-CZ 4.29Å; F171-F207 HydrophobicContact CD1-CD1 4.27Å; F171-F207 HydrophobicContact CD2-CB 4.32Å; F171-F207 HydrophobicContact CD2-CD1 4.43Å; F171-F207 HydrophobicContact CG-CB 4.45Å; F171-F207 AromaticContact CG-CD1 3.88Å; F171-F207 HydrophobicContact CG-CD1 3.88Å; F171-F207 HydrophobicContact CG-CE1 4.42Å; F171-F207 HydrophobicContact CG-CG 4.2Å; F171-A210 HydrophobicContact CD2-CB 4.44Å; F171-A210 HydrophobicContact CE2-CB 3.53Å; F171-A210 HydrophobicContact CZ-CB 3.7Å; F171-F250 AromaticContact CE1-CZ 3.96Å; F171-F250 HydrophobicContact CE1-CZ 3.96Å; F171-F250 HydrophobicContact CE2-CZ 4.28Å; F171-F250 HydrophobicContact CZ-CE2 4.37Å; F171-F250 AromaticContact CZ-CZ 3.66Å; F171-F250 HydrophobicContact CZ-CZ 3.66Å |
| 172 | V | 84.6 | Confident | 85.7 | Confident | 14 Ų | 14 | 21.9 Ų | 21.9 | 9% | 0.085 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.4 | -44 | 177.4 | 175.9 | 0 | 0 | 0 | 0 | 111 | V115 N168 F169 I174 A175 L176 F207 | V115-V172 HydrophobicContact CB-CG2 4.48Å; V115-V172 HydrophobicContact CG1-CG2 3.43Å; V115-V172 VanDerWaalsContact CG1-CG2 3.43Å; N168-V172 VanDerWaalsContact O-CG2 3.3Å; N168-V172 WeakPolarHBondContact O-CG2 3.41Å; N168-V172 PolarHBondContact O-N 2.99Å; F169-V172 PolarHBondContact O-N 2.55Å; V172-I174 VanDerWaalsContact C-N 3.25Å; V172-I174 PolarHBondContact O-N 3.15Å; V172-A175 PolarHBondContact O-N 3.17Å; V172-A175 VanDerWaalsContact O-N 3.15Å; V172-L176 HydrophobicContact CG1-CD1 4.2Å; V172-L176 HydrophobicContact CG1-CG 4.44Å; V172-L176 WeakPolarHBondContact O-CG 3.48Å; V172-L176 PolarHBondContact O-N 2.82Å; V172-L176 VanDerWaalsContact O-N 3.08Å; V172-F207 HydrophobicContact CG2-CD2 4.26Å |
| 173 | S | 84.9 | Confident | 85.3 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.007 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.1 | -34.4 | 179.3 | 73.8 | 0 | 0 | 0 | 0 | 111.8 | F169 T170 P177 C258 | F169-S173 WeakPolarHBondContact O-CB 3.48Å; F169-S173 PolarHBondContact O-N 2.79Å; F169-S173 PolarHBondContact O-OG 3.4Å; T170-S173 WeakPolarHBondContact CA-OG 3.42Å; T170-S173 PolarHBondContact O-N 2.96Å; T170-S173 PolarHBondContact O-OG 3.4Å; S173-P177 WeakPolarHBondContact O-CD 3.33Å; S173-P177 WeakPolarHBondContact O-CG 3.5Å; S173-C258 PolarHBondContact O-SG 2.89Å |
| 174 | I | 89.1 | Confident | 84.5 | Confident | 29 Ų | 29 | 21.5 Ų | 21.5 | 15% | 0.149 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -73.6 | -41.3 | 172.9 | -66.6 | 164.3 | 0 | 0 | 0 | 111.9 | T170 F171 V172 L176 P177 I178 G254 V257 C258 | T170-I174 HydrophobicContact CG2-CD1 3.96Å; T170-I174 WeakPolarHBondContact O-CD1 3.48Å; T170-I174 WeakPolarHBondContact O-CG1 3.42Å; T170-I174 PolarHBondContact O-N 3.32Å; T170-I174 VanDerWaalsContact O-N 3.11Å; F171-I174 PolarHBondContact O-N 2.93Å; V172-I174 VanDerWaalsContact C-N 3.25Å; V172-I174 PolarHBondContact O-N 3.15Å; I174-L176 VanDerWaalsContact C-N 3.34Å; I174-L176 PolarHBondContact O-N 3.22Å; I174-P177 WeakPolarHBondContact O-CD 3.41Å; I174-P177 WeakPolarHBondContact O-CG 3.42Å; I174-I178 HydrophobicContact CG2-CD1 3.48Å; I174-I178 VanDerWaalsContact CG2-CD1 3.48Å; I174-I178 HydrophobicContact CG2-CG1 4.4Å; I174-I178 VanDerWaalsContact O-CG1 3.26Å; I174-I178 WeakPolarHBondContact O-CG1 3.39Å; I174-I178 PolarHBondContact O-N 3Å; I174-G254 WeakPolarHBondContact CG1-O 3.04Å; I174-V257 HydrophobicContact CG2-CG1 4.01Å; I174-C258 HydrophobicContact CG1-CB 4.3Å |
| 175 | A | 86.3 | Confident | 84.1 | Confident | 20 Ų | 20 | 25.6 Ų | 25.6 | 17% | 0.165 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.7 | -38.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F171 V172 I178 E179 F207 | F171-A175 WeakPolarHBondContact O-CB 3.4Å; F171-A175 PolarHBondContact O-N 2.82Å; V172-A175 PolarHBondContact O-N 3.17Å; V172-A175 VanDerWaalsContact O-N 3.15Å; A175-I178 PolarHBondContact O-N 3.4Å; A175-E179 VanDerWaalsContact O-CB 3.31Å; A175-E179 WeakPolarHBondContact O-CB 2.95Å; A175-E179 PolarHBondContact O-N 3.19Å; A175-F207 HydrophobicContact CB-CE2 3.83Å; A175-F207 HydrophobicContact CB-CZ 3.71Å |
| 176 | L | 82.6 | Confident | 83.9 | Confident | 22 Ų | 22 | 32.4 Ų | 32.4 | 12% | 0.115 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58 | -55.4 | -178.4 | -71.6 | 169.3 | 0 | 0 | 0 | 114.1 | A112 V172 I174 I178 E179 R180 Y335 | A112-L176 HydrophobicContact CB-CD2 4.02Å; V172-L176 HydrophobicContact CG1-CD1 4.2Å; V172-L176 HydrophobicContact CG1-CG 4.44Å; V172-L176 WeakPolarHBondContact O-CG 3.48Å; V172-L176 PolarHBondContact O-N 2.82Å; V172-L176 VanDerWaalsContact O-N 3.08Å; I174-L176 VanDerWaalsContact C-N 3.34Å; I174-L176 PolarHBondContact O-N 3.22Å; L176-I178 VanDerWaalsContact C-N 3.33Å; L176-I178 PolarHBondContact O-N 2.83Å; L176-E179 PolarHBondContact O-N 3.46Å; L176-R180 WeakPolarHBondContact O-CG 3.28Å; L176-R180 PolarHBondContact O-N 3.37Å; L176-Y335 HydrophobicContact CB-CD1 4.15Å; L176-Y335 HydrophobicContact CB-CE1 3.64Å; L176-Y335 HydrophobicContact CB-CE2 4.12Å; L176-Y335 HydrophobicContact CD1-CD1 4.31Å; L176-Y335 HydrophobicContact CD1-CD2 3.69Å; L176-Y335 HydrophobicContact CD1-CE1 4.42Å; L176-Y335 HydrophobicContact CD1-CE2 3.8Å; L176-Y335 HydrophobicContact CD1-CG 3.96Å |
| 177 | P | 81.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.4 | -30.1 | 178.8 | 29.2 | -35.2 | 0 | 0 | 0 | 112.2 | S173 I174 R180 L181 A261 L262 Y335 | S173-P177 WeakPolarHBondContact O-CD 3.33Å; S173-P177 WeakPolarHBondContact O-CG 3.5Å; I174-P177 WeakPolarHBondContact O-CD 3.41Å; I174-P177 WeakPolarHBondContact O-CG 3.42Å; P177-R180 PolarHBondContact O-N 2.91Å; P177-L181 WeakPolarHBondContact O-CB 3.28Å; P177-L181 PolarHBondContact O-N 3.43Å; P177-A261 HydrophobicContact CB-CB 3.76Å; P177-A261 HydrophobicContact CG-CB 3.87Å; P177-L262 HydrophobicContact CB-CD2 3.96Å; P177-L262 HydrophobicContact CB-CG 4.03Å; P177-Y335 VanDerWaalsContact CD-OH 3.29Å; P177-Y335 WeakPolarHBondContact CD-OH 3.36Å |
| 178 | I | 85.6 | Confident | 82.9 | Confident | 64 Ų | 64 | 40.8 Ų | 40.8 | 33% | 0.328 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.9 | -42.9 | 174.9 | -69.1 | 177.3 | 0 | 0 | 0 | 110.9 | I174 A175 L176 R180 L181 A182 A261 | I174-I178 HydrophobicContact CG2-CD1 3.48Å; I174-I178 VanDerWaalsContact CG2-CD1 3.48Å; I174-I178 HydrophobicContact CG2-CG1 4.4Å; I174-I178 VanDerWaalsContact O-CG1 3.26Å; I174-I178 WeakPolarHBondContact O-CG1 3.39Å; I174-I178 PolarHBondContact O-N 3Å; A175-I178 PolarHBondContact O-N 3.4Å; L176-I178 VanDerWaalsContact C-N 3.33Å; L176-I178 PolarHBondContact O-N 2.83Å; I178-R180 VanDerWaalsContact C-N 3.33Å; I178-R180 PolarHBondContact O-N 3.39Å; I178-L181 PolarHBondContact O-N 3.38Å; I178-A182 VanDerWaalsContact O-CB 3.23Å; I178-A182 WeakPolarHBondContact O-CB 3.27Å; I178-A182 PolarHBondContact O-N 2.84Å; I178-A261 HydrophobicContact CG1-CB 4.25Å |
| 179 | E | 82.7 | Confident | 82.5 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.3 | -49.5 | 174.9 | -178.8 | -84.4 | 151.8 | 0 | 0 | 110.6 | L108 A175 L176 L181 A182 L183 H190 F194 | L108-E179 HydrophobicContact CD1-CG 3.8Å; L108-E179 HydrophobicContact CD2-CG 3.91Å; A175-E179 VanDerWaalsContact O-CB 3.31Å; A175-E179 WeakPolarHBondContact O-CB 2.95Å; A175-E179 PolarHBondContact O-N 3.19Å; L176-E179 PolarHBondContact O-N 3.46Å; E179-L181 PolarHBondContact O-N 3.34Å; E179-A182 PolarHBondContact O-N 2.77Å; E179-L183 PolarHBondContact O-N 2.93Å; E179-H190 IonicContact OE1-CD2 3.68Å; E179-H190 IonicContact OE1-CE1 3.81Å; E179-H190 IonicContact OE1-NE2 2.79Å; E179-H190 PolarHBondContact OE1-NE2 3.18Å; E179-F194 HydrophobicContact CB-CD1 4.11Å; E179-F194 HydrophobicContact CB-CD2 4.43Å; E179-F194 HydrophobicContact CB-CE1 3.72Å; E179-F194 HydrophobicContact CB-CE2 4.08Å; E179-F194 HydrophobicContact CB-CG 4.45Å; E179-F194 HydrophobicContact CB-CZ 3.7Å; E179-F194 HydrophobicContact CG-CD1 3.79Å; E179-F194 HydrophobicContact CG-CD2 4.14Å; E179-F194 HydrophobicContact CG-CE1 3.95Å; E179-F194 HydrophobicContact CG-CE2 4.3Å; E179-F194 HydrophobicContact CG-CG 3.89Å; E179-F194 HydrophobicContact CG-CZ 4.2Å |
| 180 | R | 78 | Confident | 82.2 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 6% | 0.057 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -43.9 | 177.3 | -62.4 | -61.7 | 178.9 | -167 | -0.7 | 112 | L176 P177 I178 L183 F184 L265 | L176-R180 WeakPolarHBondContact O-CG 3.28Å; L176-R180 PolarHBondContact O-N 3.37Å; P177-R180 PolarHBondContact O-N 2.91Å; I178-R180 VanDerWaalsContact C-N 3.33Å; I178-R180 PolarHBondContact O-N 3.39Å; R180-L183 WeakPolarHBondContact O-CB 3.44Å; R180-L183 PolarHBondContact O-N 3.36Å; R180-F184 WeakPolarHBondContact O-CD2 3.42Å; R180-F184 PolarHBondContact O-N 2.87Å; R180-L265 HydrophobicContact CB-CD1 4.17Å; R180-L265 HydrophobicContact CB-CD2 3.99Å |
| 181 | L | 81.7 | Confident | 81.5 | Confident | 25 Ų | 25 | 52.8 Ų | 52.8 | 13% | 0.131 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 178 | -174.1 | 66.7 | 0 | 0 | 0 | 112 | P177 I178 E179 F184 R185 L264 | P177-L181 WeakPolarHBondContact O-CB 3.28Å; P177-L181 PolarHBondContact O-N 3.43Å; I178-L181 PolarHBondContact O-N 3.38Å; E179-L181 PolarHBondContact O-N 3.34Å; L181-F184 PolarHBondContact O-N 3.44Å; L181-R185 PolarHBondContact O-N 2.88Å; L181-L264 HydrophobicContact CD1-CB 4.08Å; L181-L264 HydrophobicContact CD2-CB 4.04Å; L181-L264 HydrophobicContact CD2-CD1 3.89Å |
| 182 | A | 83.4 | Confident | 80.9 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 5% | 0.05 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | I178 E179 F184 Y186 F189 H190 F194 | I178-A182 VanDerWaalsContact O-CB 3.23Å; I178-A182 WeakPolarHBondContact O-CB 3.27Å; I178-A182 PolarHBondContact O-N 2.84Å; E179-A182 PolarHBondContact O-N 2.77Å; A182-F184 VanDerWaalsContact C-N 3.29Å; A182-F184 PolarHBondContact O-N 2.87Å; A182-Y186 CarbonylContact O-C 3.39Å; A182-Y186 WeakPolarHBondContact O-CA 3.5Å; A182-Y186 PolarHBondContact O-N 3.49Å; A182-F189 HydrophobicContact CB-CD1 4.01Å; A182-F189 HydrophobicContact CB-CE1 4.4Å; A182-H190 HydrophobicContact CB-CB 4.35Å; A182-F194 HydrophobicContact CB-CE2 4.27Å |
| 183 | L | 76.2 | Confident | 80.3 | Confident | 46 Ų | 46 | 59 Ų | 59 | 24% | 0.241 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.1 | -43.4 | 174 | -174.3 | 72 | 0 | 0 | 0 | 111.4 | E179 R180 F346 | E179-L183 PolarHBondContact O-N 2.93Å; R180-L183 WeakPolarHBondContact O-CB 3.44Å; R180-L183 PolarHBondContact O-N 3.36Å; L183-F346 HydrophobicContact CD2-CE1 4.44Å; L183-F346 HydrophobicContact CD2-CZ 4.02Å |
| 184 | F | 72.9 | Confident | 79.8 | Confident | 70 Ų | 70 | 59.8 Ų | 59.8 | 31% | 0.307 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -74.6 | -41.8 | -178.8 | -81.3 | -69.3 | 0 | 0 | 0 | 114.5 | R180 L181 A182 L265 F346 | R180-F184 WeakPolarHBondContact O-CD2 3.42Å; R180-F184 PolarHBondContact O-N 2.87Å; L181-F184 PolarHBondContact O-N 3.44Å; A182-F184 VanDerWaalsContact C-N 3.29Å; A182-F184 PolarHBondContact O-N 2.87Å; F184-L265 HydrophobicContact CD2-CD1 3.5Å; F184-L265 HydrophobicContact CE2-CD1 3.58Å; F184-F346 AromaticContact CD1-CE1 3.99Å; F184-F346 HydrophobicContact CD1-CE1 3.99Å; F184-F346 HydrophobicContact CD1-CZ 4.19Å; F184-F346 HydrophobicContact CD2-CZ 4.24Å; F184-F346 HydrophobicContact CE1-CD1 4.31Å; F184-F346 AromaticContact CE1-CE1 3.25Å; F184-F346 HydrophobicContact CE1-CE1 3.25Å; F184-F346 HydrophobicContact CE1-CE2 4.49Å; F184-F346 AromaticContact CE1-CZ 3.39Å; F184-F346 HydrophobicContact CE1-CZ 3.39Å; F184-F346 HydrophobicContact CE2-CE1 4.17Å; F184-F346 HydrophobicContact CE2-CE2 4.22Å; F184-F346 AromaticContact CE2-CZ 3.42Å; F184-F346 HydrophobicContact CE2-CZ 3.42Å; F184-F346 VanDerWaalsContact CE2-CZ 3.42Å; F184-F346 HydrophobicContact CZ-CD1 4.49Å; F184-F346 AromaticContact CZ-CE1 3.38Å; F184-F346 HydrophobicContact CZ-CE1 3.38Å; F184-F346 AromaticContact CZ-CE2 3.78Å; F184-F346 HydrophobicContact CZ-CE2 3.78Å; F184-F346 AromaticContact CZ-CZ 2.94Å; F184-F346 HydrophobicContact CZ-CZ 2.94Å |
| 185 | R | 80.7 | Confident | 79.1 | Confident | 115 Ų | 115 | 60.1 Ų | 60.1 | 43% | 0.434 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -100.4 | -29.7 | -171.5 | -72.7 | -165.1 | 179.6 | 178.1 | 4 | 114.5 | L181 | L181-R185 PolarHBondContact O-N 2.88Å |
| 186 | Y | 81.3 | Confident | 78.1 | Confident | 145 Ų | 145 | 61.4 Ų | 61.4 | 57% | 0.569 | 30% | 0.298 | S | S | * | . | trans | -139.9 | 67.6 | -168.6 | -56.8 | -72.9 | 0 | 0 | 0 | 111.2 | A182 N188 F189 H190 | A182-Y186 CarbonylContact O-C 3.39Å; A182-Y186 WeakPolarHBondContact O-CA 3.5Å; A182-Y186 PolarHBondContact O-N 3.49Å; Y186-N188 PolarHBondContact O-N 3.4Å; Y186-N188 VanDerWaalsContact O-N 3.16Å; Y186-F189 WeakPolarHBondContact O-CB 3.46Å; Y186-F189 PolarHBondContact O-N 3.29Å; Y186-H190 PolarHBondContact O-N 2.9Å | ||
| 187 | P | 77.4 | Confident | 77.5 | Confident | 81 Ų | 81 | 70 Ų | 70 | 53% | 0.526 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.1 | -33.1 | -175 | 23 | -34.3 | 0 | 0 | 0 | 113.2 | H190 K191 | P187-H190 PolarHBondContact O-N 3.29Å; P187-K191 WeakPolarHBondContact O-CB 3.22Å; P187-K191 PolarHBondContact O-N 2.87Å |
| 188 | N | 78.6 | Confident | 77 | Confident | 141 Ų | 141 | 73.6 Ų | 73.6 | 75% | 0.754 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66 | -40 | 175.2 | -67.7 | -27.1 | 0 | 0 | 0 | 112.4 | Y186 H192 | Y186-N188 PolarHBondContact O-N 3.4Å; Y186-N188 VanDerWaalsContact O-N 3.16Å; N188-H192 PolarHBondContact O-N 3.34Å |
| 189 | F | 80.1 | Confident | 76.7 | Confident | 106 Ų | 106 | 71 Ų | 71 | 47% | 0.465 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.1 | -42.3 | 175.5 | 177 | -97.9 | 0 | 0 | 0 | 110.7 | A182 Y186 K191 H192 T193 | A182-F189 HydrophobicContact CB-CD1 4.01Å; A182-F189 HydrophobicContact CB-CE1 4.4Å; Y186-F189 WeakPolarHBondContact O-CB 3.46Å; Y186-F189 PolarHBondContact O-N 3.29Å; F189-K191 VanDerWaalsContact C-N 3.35Å; F189-K191 PolarHBondContact O-N 2.89Å; F189-H192 PolarHBondContact O-N 2.91Å; F189-T193 HydrophobicContact CE1-CG2 4.13Å; F189-T193 WeakPolarHBondContact CE2-OG1 3.43Å; F189-T193 HydrophobicContact CZ-CG2 3.91Å; F189-T193 WeakPolarHBondContact CZ-OG1 3.38Å; F189-T193 WeakPolarHBondContact O-CB 3.15Å; F189-T193 PolarHBondContact O-N 3.16Å; F189-T193 PolarHBondContact O-OG1 2.92Å; F189-T193 VanDerWaalsContact O-OG1 3.14Å |
| 190 | H | 78.9 | Confident | 76.4 | Confident | 12 Ų | 12 | 71.4 Ų | 71.4 | 6% | 0.056 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.3 | -48.8 | 176.5 | -179.8 | -83.3 | 0 | 0 | 0 | 111.6 | E179 A182 Y186 P187 H192 T193 F194 | E179-H190 IonicContact OE1-CD2 3.68Å; E179-H190 IonicContact OE1-CE1 3.81Å; E179-H190 IonicContact OE1-NE2 2.79Å; E179-H190 PolarHBondContact OE1-NE2 3.18Å; A182-H190 HydrophobicContact CB-CB 4.35Å; Y186-H190 PolarHBondContact O-N 2.9Å; P187-H190 PolarHBondContact O-N 3.29Å; H190-H192 VanDerWaalsContact C-N 3.26Å; H190-H192 PolarHBondContact O-N 3.43Å; H190-T193 PolarHBondContact O-N 3.42Å; H190-F194 AromaticContact CD2-CD2 3.9Å; H190-F194 WeakPolarHBondContact O-CA 3.32Å; H190-F194 WeakPolarHBondContact O-CB 3.41Å; H190-F194 PolarHBondContact O-N 3.37Å |
| 191 | K | 75.6 | Confident | 76.4 | Confident | 158 Ų | 158 | 73.6 Ų | 73.6 | 69% | 0.687 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -59.5 | -34.4 | 178.6 | -173.2 | 176.4 | -179.5 | 179.4 | 0 | 113.5 | P187 F189 S195 | P187-K191 WeakPolarHBondContact O-CB 3.22Å; P187-K191 PolarHBondContact O-N 2.87Å; F189-K191 VanDerWaalsContact C-N 3.35Å; F189-K191 PolarHBondContact O-N 2.89Å; K191-S195 VanDerWaalsContact O-CB 3.26Å; K191-S195 WeakPolarHBondContact O-CB 3.29Å |
| 192 | H | 75.5 | Confident | 76.5 | Confident | 152 Ų | 152 | 75.1 Ų | 75.1 | 70% | 0.704 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -80.3 | -49.7 | 179.5 | -170.7 | -69.7 | 0 | 0 | 0 | 111.6 | N188 F189 H190 | N188-H192 PolarHBondContact O-N 3.34Å; F189-H192 PolarHBondContact O-N 2.91Å; H190-H192 VanDerWaalsContact C-N 3.26Å; H190-H192 PolarHBondContact O-N 3.43Å |
| 193 | T | 73.6 | Confident | 76.6 | Confident | 29 Ų | 29 | 76.9 Ų | 76.9 | 18% | 0.178 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -79.6 | -35 | -171.1 | -55.1 | 0 | 0 | 0 | 0 | 112.8 | F189 H190 G199 L203 | F189-T193 HydrophobicContact CE1-CG2 4.13Å; F189-T193 WeakPolarHBondContact CE2-OG1 3.43Å; F189-T193 HydrophobicContact CZ-CG2 3.91Å; F189-T193 WeakPolarHBondContact CZ-OG1 3.38Å; F189-T193 WeakPolarHBondContact O-CB 3.15Å; F189-T193 PolarHBondContact O-N 3.16Å; F189-T193 PolarHBondContact O-OG1 2.92Å; F189-T193 VanDerWaalsContact O-OG1 3.14Å; H190-T193 PolarHBondContact O-N 3.42Å; T193-G199 CarbonylContact O-C 3.54Å; T193-G199 WeakPolarHBondContact O-CA 3.26Å; T193-L203 HydrophobicContact CG2-CD1 4.34Å |
| 194 | F | 74.2 | Confident | 76.9 | Confident | 16 Ų | 16 | 77 Ų | 77 | 7% | 0.07 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 23.8 | -178.7 | -61.5 | -79.5 | 0 | 0 | 0 | 112.2 | L108 E179 A182 H190 C196 L203 | L108-F194 HydrophobicContact CD1-CB 4.16Å; L108-F194 HydrophobicContact CD1-CD1 4.2Å; E179-F194 HydrophobicContact CB-CD1 4.11Å; E179-F194 HydrophobicContact CB-CD2 4.43Å; E179-F194 HydrophobicContact CB-CE1 3.72Å; E179-F194 HydrophobicContact CB-CE2 4.08Å; E179-F194 HydrophobicContact CB-CG 4.45Å; E179-F194 HydrophobicContact CB-CZ 3.7Å; E179-F194 HydrophobicContact CG-CD1 3.79Å; E179-F194 HydrophobicContact CG-CD2 4.14Å; E179-F194 HydrophobicContact CG-CE1 3.95Å; E179-F194 HydrophobicContact CG-CE2 4.3Å; E179-F194 HydrophobicContact CG-CG 3.89Å; E179-F194 HydrophobicContact CG-CZ 4.2Å; A182-F194 HydrophobicContact CB-CE2 4.27Å; H190-F194 AromaticContact CD2-CD2 3.9Å; H190-F194 WeakPolarHBondContact O-CA 3.32Å; H190-F194 WeakPolarHBondContact O-CB 3.41Å; H190-F194 PolarHBondContact O-N 3.37Å; F194-C196 PolarHBondContact O-N 2.97Å; F194-L203 HydrophobicContact CD1-CD1 3.69Å; F194-L203 HydrophobicContact CE1-CD1 3.54Å; F194-L203 HydrophobicContact CZ-CD1 4.35Å |
| 195 | S | 73.4 | Confident | 77.6 | Confident | 37 Ų | 37 | 79 Ų | 79 | 26% | 0.259 | 41% | 0.405 | S | S | . | . | trans | -61.5 | 133 | 174.3 | -162.6 | 0 | 0 | 0 | 0 | 111.1 | K191 K197 S198 G199 I200 | K191-S195 VanDerWaalsContact O-CB 3.26Å; K191-S195 WeakPolarHBondContact O-CB 3.29Å; S195-K197 PolarHBondContact O-N 3.46Å; S195-S198 PolarHBondContact O-N 3.1Å; S195-G199 WeakPolarHBondContact O-CA 3.36Å; S195-G199 PolarHBondContact O-N 2.95Å; S195-I200 PolarHBondContact O-N 3.45Å; S195-I200 VanDerWaalsContact O-N 3.1Å | ||
| 196 | C | 66.2 | Low | 78 | Confident | 47 Ų | 47 | 79.5 Ų | 79.5 | 32% | 0.318 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -26.2 | 177.5 | -60.5 | 0 | 0 | 0 | 0 | 113.4 | L107 F194 | L107-C196 HydrophobicContact CD1-CB 4.22Å; L107-C196 VanDerWaalsContact CD1-SG 3.54Å; F194-C196 PolarHBondContact O-N 2.97Å |
| 197 | K | 69.7 | Low | 78.5 | Confident | 201 Ų | 201 | 73.4 Ų | 73.4 | 87% | 0.874 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -27.5 | -176 | -70.2 | -170.3 | 177.6 | -174.9 | 0 | 114 | S195 | S195-K197 PolarHBondContact O-N 3.46Š|
| 198 | S | 72.2 | Confident | 79 | Confident | 76 Ų | 76 | 72.3 Ų | 72.3 | 53% | 0.531 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.2 | -38 | -173.3 | 57.6 | 0 | 0 | 0 | 0 | 113.7 | S195 A202 | S195-S198 PolarHBondContact O-N 3.1Å; S198-A202 WeakPolarHBondContact O-CB 3.28Å; S198-A202 PolarHBondContact O-N 3.05Å; S198-A202 VanDerWaalsContact O-N 3.12Å |
| 199 | G | 78.1 | Confident | 79.6 | Confident | 9 Ų | 9 | 70 Ų | 70 | 9% | 0.093 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.3 | -56.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T193 S195 A202 L203 | T193-G199 CarbonylContact O-C 3.54Å; T193-G199 WeakPolarHBondContact O-CA 3.26Å; S195-G199 WeakPolarHBondContact O-CA 3.36Å; S195-G199 PolarHBondContact O-N 2.95Å; G199-A202 PolarHBondContact O-N 3.48Å; G199-L203 WeakPolarHBondContact O-CG 3.31Å; G199-L203 PolarHBondContact O-N 3.43Å |
| 200 | I | 76.6 | Confident | 80.2 | Confident | 13 Ų | 13 | 66 Ų | 66 | 7% | 0.067 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.1 | -50.1 | -176.8 | -56.4 | 171.3 | 0 | 0 | 0 | 111.7 | L108 V111 S195 A202 L203 L204 | L108-I200 HydrophobicContact CB-CD1 4.42Å; L108-I200 HydrophobicContact CD1-CD1 3.67Å; L108-I200 HydrophobicContact CD1-CG1 4.16Å; L108-I200 HydrophobicContact CG-CD1 4.05Å; V111-I200 HydrophobicContact CB-CG2 4.26Å; V111-I200 HydrophobicContact CG1-CG2 3.74Å; V111-I200 HydrophobicContact CG2-CG2 4.04Å; S195-I200 PolarHBondContact O-N 3.45Å; S195-I200 VanDerWaalsContact O-N 3.1Å; I200-A202 VanDerWaalsContact C-N 3.3Å; I200-A202 PolarHBondContact O-N 3.35Å; I200-L203 PolarHBondContact O-N 3.09Å; I200-L204 HydrophobicContact CG2-CD1 4.39Å; I200-L204 HydrophobicContact CG2-CG 4.45Å; I200-L204 WeakPolarHBondContact O-CG 3.34Å; I200-L204 PolarHBondContact O-N 3.37Å |
| 201 | P | 78.8 | Confident | 80.8 | Confident | 60 Ų | 60 | 65.4 Ų | 65.4 | 39% | 0.39 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.1 | -40.7 | 176.8 | -24.1 | 35.3 | 0 | 0 | 0 | 112.7 | L203 L204 I205 | P201-L203 PolarHBondContact O-N 2.77Å; P201-L204 PolarHBondContact O-N 3.3Å; P201-I205 WeakPolarHBondContact O-CB 3.27Å; P201-I205 WeakPolarHBondContact O-CD1 3.45Å; P201-I205 VanDerWaalsContact O-CG1 3.23Å; P201-I205 WeakPolarHBondContact O-CG1 3.49Å; P201-I205 PolarHBondContact O-N 3.01Å |
| 202 | A | 83.5 | Confident | 81.6 | Confident | 57 Ų | 57 | 62.4 Ų | 62.4 | 47% | 0.471 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S198 G199 I200 I205 F206 | S198-A202 WeakPolarHBondContact O-CB 3.28Å; S198-A202 PolarHBondContact O-N 3.05Å; S198-A202 VanDerWaalsContact O-N 3.12Å; G199-A202 PolarHBondContact O-N 3.48Å; I200-A202 VanDerWaalsContact C-N 3.3Å; I200-A202 PolarHBondContact O-N 3.35Å; A202-I205 PolarHBondContact O-N 3.46Å; A202-F206 VanDerWaalsContact O-CB 3.3Å; A202-F206 WeakPolarHBondContact O-CB 3.34Å; A202-F206 PolarHBondContact O-N 2.88Å |
| 203 | L | 85.1 | Confident | 82.5 | Confident | 43 Ų | 43 | 57.8 Ų | 57.8 | 23% | 0.225 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 175 | -75.7 | 170 | 0 | 0 | 0 | 112 | T193 F194 G199 I200 P201 F206 F207 | T193-L203 HydrophobicContact CG2-CD1 4.34Å; F194-L203 HydrophobicContact CD1-CD1 3.69Å; F194-L203 HydrophobicContact CE1-CD1 3.54Å; F194-L203 HydrophobicContact CZ-CD1 4.35Å; G199-L203 WeakPolarHBondContact O-CG 3.31Å; G199-L203 PolarHBondContact O-N 3.43Å; I200-L203 PolarHBondContact O-N 3.09Å; P201-L203 PolarHBondContact O-N 2.77Å; L203-F206 WeakPolarHBondContact O-CB 3.27Å; L203-F206 PolarHBondContact O-N 2.75Å; L203-F207 HydrophobicContact CB-CZ 4.41Å; L203-F207 HydrophobicContact CD2-CZ 4.42Å; L203-F207 WeakPolarHBondContact O-CD1 3.48Å; L203-F207 WeakPolarHBondContact O-CG 3.15Å; L203-F207 PolarHBondContact O-N 3.27Å |
| 204 | L | 82.8 | Confident | 83.3 | Confident | 50 Ų | 50 | 57.4 Ų | 57.4 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 178.1 | -62.6 | -179.6 | 0 | 0 | 0 | 112.4 | V111 V115 I200 P201 F206 F207 T208 | V111-L204 HydrophobicContact CG1-CD1 3.58Å; V111-L204 HydrophobicContact CG1-CD2 4.12Å; V111-L204 HydrophobicContact CG1-CG 4.26Å; V115-L204 HydrophobicContact CG2-CD1 4.17Å; V115-L204 HydrophobicContact CG2-CD2 3.56Å; V115-L204 HydrophobicContact CG2-CG 4.48Å; I200-L204 HydrophobicContact CG2-CD1 4.39Å; I200-L204 HydrophobicContact CG2-CG 4.45Å; I200-L204 WeakPolarHBondContact O-CG 3.34Å; I200-L204 PolarHBondContact O-N 3.37Å; P201-L204 PolarHBondContact O-N 3.3Å; L204-F206 VanDerWaalsContact C-N 3.3Å; L204-F207 HydrophobicContact CD2-CD2 4.42Å; L204-F207 PolarHBondContact O-N 3.5Å; L204-T208 WeakPolarHBondContact O-CB 3.41Å; L204-T208 PolarHBondContact O-N 3.38Å; L204-T208 PolarHBondContact O-OG1 2.86Å |
| 205 | I | 86.9 | Confident | 84.1 | Confident | 110 Ų | 110 | 57.3 Ų | 57.3 | 56% | 0.564 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.6 | -45.9 | 173.1 | -69.1 | 165.2 | 0 | 0 | 0 | 109.1 | P201 A202 F207 T208 V209 | P201-I205 WeakPolarHBondContact O-CB 3.27Å; P201-I205 WeakPolarHBondContact O-CD1 3.45Å; P201-I205 VanDerWaalsContact O-CG1 3.23Å; P201-I205 WeakPolarHBondContact O-CG1 3.49Å; P201-I205 PolarHBondContact O-N 3.01Å; A202-I205 PolarHBondContact O-N 3.46Å; I205-F207 PolarHBondContact O-N 2.9Å; I205-T208 PolarHBondContact O-N 3.07Å; I205-V209 HydrophobicContact CG2-CG2 4.25Å; I205-V209 WeakPolarHBondContact O-CB 3.28Å; I205-V209 VanDerWaalsContact O-CG2 3.27Å; I205-V209 WeakPolarHBondContact O-CG2 3.2Å; I205-V209 PolarHBondContact O-N 2.86Å |
| 206 | F | 89.8 | Confident | 85 | Confident | 126 Ų | 126 | 58 Ų | 58 | 55% | 0.553 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59.6 | -45.5 | 177.2 | 179.2 | -98.3 | 0 | 0 | 0 | 112.2 | A202 L203 L204 T208 V209 A210 | A202-F206 VanDerWaalsContact O-CB 3.3Å; A202-F206 WeakPolarHBondContact O-CB 3.34Å; A202-F206 PolarHBondContact O-N 2.88Å; L203-F206 WeakPolarHBondContact O-CB 3.27Å; L203-F206 PolarHBondContact O-N 2.75Å; L204-F206 VanDerWaalsContact C-N 3.3Å; F206-T208 VanDerWaalsContact C-N 3.32Å; F206-T208 PolarHBondContact O-N 2.88Å; F206-V209 PolarHBondContact O-N 3.02Å; F206-A210 VanDerWaalsContact O-CB 3.29Å; F206-A210 WeakPolarHBondContact O-CB 3.42Å; F206-A210 PolarHBondContact O-N 3.31Å |
| 207 | F | 90.7 | Very high | 86.2 | Confident | 18 Ų | 18 | 62.9 Ų | 62.9 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 176.4 | -62.1 | -16.3 | 0 | 0 | 0 | 112.2 | F171 V172 A175 L203 L204 I205 S211 | F171-F207 HydrophobicContact CB-CB 4.09Å; F171-F207 HydrophobicContact CB-CD1 3.59Å; F171-F207 HydrophobicContact CB-CD2 3.92Å; F171-F207 HydrophobicContact CB-CE1 3.97Å; F171-F207 HydrophobicContact CB-CE2 4.25Å; F171-F207 HydrophobicContact CB-CG 3.6Å; F171-F207 HydrophobicContact CB-CZ 4.29Å; F171-F207 HydrophobicContact CD1-CD1 4.27Å; F171-F207 HydrophobicContact CD2-CB 4.32Å; F171-F207 HydrophobicContact CD2-CD1 4.43Å; F171-F207 HydrophobicContact CG-CB 4.45Å; F171-F207 AromaticContact CG-CD1 3.88Å; F171-F207 HydrophobicContact CG-CD1 3.88Å; F171-F207 HydrophobicContact CG-CE1 4.42Å; F171-F207 HydrophobicContact CG-CG 4.2Å; V172-F207 HydrophobicContact CG2-CD2 4.26Å; A175-F207 HydrophobicContact CB-CE2 3.83Å; A175-F207 HydrophobicContact CB-CZ 3.71Å; L203-F207 HydrophobicContact CB-CZ 4.41Å; L203-F207 HydrophobicContact CD2-CZ 4.42Å; L203-F207 WeakPolarHBondContact O-CD1 3.48Å; L203-F207 WeakPolarHBondContact O-CG 3.15Å; L203-F207 PolarHBondContact O-N 3.27Å; L204-F207 HydrophobicContact CD2-CD2 4.42Å; L204-F207 PolarHBondContact O-N 3.5Å; I205-F207 PolarHBondContact O-N 2.9Å; F207-S211 VanDerWaalsContact O-CB 3.27Å; F207-S211 WeakPolarHBondContact O-CB 3.49Å; F207-S211 PolarHBondContact O-N 3.32Å; F207-S211 PolarHBondContact O-OG 2.75Å |
| 208 | T | 87.8 | Confident | 87.1 | Confident | 57 Ų | 57 | 53.4 Ų | 53.4 | 35% | 0.35 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65 | -47 | 177.2 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | F164 L204 I205 F206 S211 M212 | F164-T208 HydrophobicContact CE2-CG2 4.44Å; F164-T208 HydrophobicContact CZ-CG2 4.2Å; L204-T208 WeakPolarHBondContact O-CB 3.41Å; L204-T208 PolarHBondContact O-N 3.38Å; L204-T208 PolarHBondContact O-OG1 2.86Å; I205-T208 PolarHBondContact O-N 3.07Å; F206-T208 VanDerWaalsContact C-N 3.32Å; F206-T208 PolarHBondContact O-N 2.88Å; T208-S211 PolarHBondContact O-N 2.74Å; T208-M212 VanDerWaalsContact O-CG 3.31Å; T208-M212 WeakPolarHBondContact O-CG 3.31Å; T208-M212 PolarHBondContact O-N 2.76Å |
| 209 | V | 92.7 | Very high | 88 | Confident | 92 Ų | 92 | 53.2 Ų | 53.2 | 56% | 0.558 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.5 | -43.9 | 177.7 | 171.8 | 0 | 0 | 0 | 0 | 111 | I205 F206 S211 M212 A213 | I205-V209 HydrophobicContact CG2-CG2 4.25Å; I205-V209 WeakPolarHBondContact O-CB 3.28Å; I205-V209 VanDerWaalsContact O-CG2 3.27Å; I205-V209 WeakPolarHBondContact O-CG2 3.2Å; I205-V209 PolarHBondContact O-N 2.86Å; F206-V209 PolarHBondContact O-N 3.02Å; V209-S211 VanDerWaalsContact C-N 3.33Å; V209-S211 PolarHBondContact O-N 2.94Å; V209-M212 PolarHBondContact O-N 2.57Å; V209-A213 WeakPolarHBondContact O-CB 3.35Å; V209-A213 PolarHBondContact O-N 3.43Å |
| 210 | A | 92.6 | Very high | 88.5 | Confident | 22 Ų | 22 | 56.6 Ų | 56.6 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F171 F206 A213 N214 | F171-A210 HydrophobicContact CD2-CB 4.44Å; F171-A210 HydrophobicContact CE2-CB 3.53Å; F171-A210 HydrophobicContact CZ-CB 3.7Å; F206-A210 VanDerWaalsContact O-CB 3.29Å; F206-A210 WeakPolarHBondContact O-CB 3.42Å; F206-A210 PolarHBondContact O-N 3.31Å; A210-A213 PolarHBondContact O-N 2.97Å; A210-N214 PolarHBondContact O-N 3.46Å |
| 211 | S | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67 | -39.6 | 175.9 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | T167 N168 F207 T208 V209 N214 V215 | T167-S211 WeakPolarHBondContact CG2-OG 3.26Å; N168-S211 WeakPolarHBondContact CA-OG 3.48Å; N168-S211 PolarHBondContact N-OG 3.34Å; F207-S211 VanDerWaalsContact O-CB 3.27Å; F207-S211 WeakPolarHBondContact O-CB 3.49Å; F207-S211 PolarHBondContact O-N 3.32Å; F207-S211 PolarHBondContact O-OG 2.75Å; T208-S211 PolarHBondContact O-N 2.74Å; V209-S211 VanDerWaalsContact C-N 3.33Å; V209-S211 PolarHBondContact O-N 2.94Å; S211-N214 PolarHBondContact O-N 3.36Å; S211-V215 WeakPolarHBondContact O-CG2 3.11Å; S211-V215 PolarHBondContact O-N 2.86Å; S211-V215 VanDerWaalsContact O-N 3.09Å |
| 212 | M | 91.9 | Very high | 89.4 | Confident | 95 Ų | 95 | 54.1 Ų | 54.1 | 47% | 0.468 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 171.7 | -73.1 | -74.6 | 107.1 | 0 | 0 | 112 | F164 T208 V209 V215 A216 | F164-M212 HydrophobicContact CD2-CE 3.08Å; F164-M212 HydrophobicContact CE2-CE 3.15Å; F164-M212 HydrophobicContact CE2-CG 4.11Å; F164-M212 HydrophobicContact CE2-SD 4.43Å; F164-M212 HydrophobicContact CG-CE 3.83Å; F164-M212 HydrophobicContact CZ-CE 3.96Å; T208-M212 VanDerWaalsContact O-CG 3.31Å; T208-M212 WeakPolarHBondContact O-CG 3.31Å; T208-M212 PolarHBondContact O-N 2.76Å; V209-M212 PolarHBondContact O-N 2.57Å; M212-V215 WeakPolarHBondContact O-CB 3.31Å; M212-V215 PolarHBondContact O-N 2.78Å; M212-A216 WeakPolarHBondContact O-CB 3.45Å; M212-A216 PolarHBondContact O-N 3.31Å |
| 213 | A | 93.1 | Very high | 89.4 | Confident | 56 Ų | 56 | 55.1 Ų | 55.1 | 46% | 0.463 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | V209 A210 V215 A216 W217 | V209-A213 WeakPolarHBondContact O-CB 3.35Å; V209-A213 PolarHBondContact O-N 3.43Å; A210-A213 PolarHBondContact O-N 2.97Å; A213-V215 VanDerWaalsContact C-N 3.34Å; A213-V215 PolarHBondContact O-N 3.26Å; A213-A216 PolarHBondContact O-N 2.89Å; A213-W217 WeakPolarHBondContact O-CB 3.5Å; A213-W217 PolarHBondContact O-N 3.2Å |
| 214 | N | 91.6 | Very high | 89.4 | Confident | 21 Ų | 21 | 62.8 Ų | 62.8 | 11% | 0.112 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 173.9 | -82.5 | -12.3 | 0 | 0 | 0 | 112.3 | T167 A210 S211 W217 W218 | T167-N214 HydrophobicContact CG2-CB 4.3Å; T167-N214 WeakPolarHBondContact CG2-ND2 3.2Å; A210-N214 PolarHBondContact O-N 3.46Å; S211-N214 PolarHBondContact O-N 3.36Å; N214-W217 PolarHBondContact O-N 2.91Å; N214-W218 PolarHBondContact O-N 3.48Å |
| 215 | V | 91.5 | Very high | 89.4 | Confident | 14 Ų | 14 | 63.8 Ų | 63.8 | 9% | 0.085 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 172.4 | 170.2 | 0 | 0 | 0 | 0 | 111 | T160 V163 F164 S211 M212 A213 W217 W218 W219 | T160-V215 HydrophobicContact CG2-CG1 3.56Å; T160-V215 HydrophobicContact CG2-CG2 4.44Å; V163-V215 HydrophobicContact CB-CG2 4.5Å; V163-V215 HydrophobicContact CG1-CG2 4.17Å; F164-V215 HydrophobicContact CB-CG2 3.88Å; F164-V215 HydrophobicContact CD2-CG2 4.44Å; S211-V215 WeakPolarHBondContact O-CG2 3.11Å; S211-V215 PolarHBondContact O-N 2.86Å; S211-V215 VanDerWaalsContact O-N 3.09Å; M212-V215 WeakPolarHBondContact O-CB 3.31Å; M212-V215 PolarHBondContact O-N 2.78Å; A213-V215 VanDerWaalsContact C-N 3.34Å; A213-V215 PolarHBondContact O-N 3.26Å; V215-W217 VanDerWaalsContact C-N 3.32Å; V215-W217 PolarHBondContact O-N 3.31Å; V215-W218 WeakPolarHBondContact O-CB 3.28Å; V215-W218 PolarHBondContact O-N 2.82Å; V215-W218 VanDerWaalsContact O-N 3.1Å; V215-W219 VanDerWaalsContact O-CD1 3.29Å; V215-W219 PolarHBondContact O-N 3.16Å |
| 216 | A | 92.1 | Very high | 88.8 | Confident | 52 Ų | 52 | 62.8 Ų | 62.8 | 43% | 0.43 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M212 A213 W218 W219 T220 | M212-A216 WeakPolarHBondContact O-CB 3.45Å; M212-A216 PolarHBondContact O-N 3.31Å; A213-A216 PolarHBondContact O-N 2.89Å; A216-W218 VanDerWaalsContact C-N 3.3Å; A216-W218 PolarHBondContact O-N 3.48Å; A216-W219 PolarHBondContact O-N 2.99Å; A216-T220 WeakPolarHBondContact O-CB 3.26Å; A216-T220 WeakPolarHBondContact O-CG2 3.43Å; A216-T220 PolarHBondContact O-N 3.33Å; A216-T220 PolarHBondContact O-OG1 3.1Å |
| 217 | W | 91.3 | Very high | 88.3 | Confident | 149 Ų | 149 | 64 Ų | 64 | 56% | 0.564 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.5 | -40.5 | 172.6 | -177.3 | 9.8 | 0 | 0 | 0 | 111.3 | A213 N214 V215 T220 S221 | A213-W217 WeakPolarHBondContact O-CB 3.5Å; A213-W217 PolarHBondContact O-N 3.2Å; N214-W217 PolarHBondContact O-N 2.91Å; V215-W217 VanDerWaalsContact C-N 3.32Å; V215-W217 PolarHBondContact O-N 3.31Å; W217-T220 VanDerWaalsContact CA-OG1 3.28Å; W217-T220 WeakPolarHBondContact CA-OG1 3.44Å; W217-T220 PolarHBondContact O-OG1 3.11Å; W217-S221 PolarHBondContact NE1-OG 3.1Å; W217-S221 VanDerWaalsContact O-CB 3.31Å; W217-S221 WeakPolarHBondContact O-CB 3.44Å; W217-S221 PolarHBondContact O-N 3.09Å; W217-S221 PolarHBondContact O-OG 3.01Å |
| 218 | W | 89 | Confident | 87.9 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 0% | 0.004 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.1 | -51.2 | 175.2 | -171.9 | 26.8 | 0 | 0 | 0 | 112.3 | L153 L159 T160 V163 N214 V215 A216 T220 S221 V222 F243 | L153-W218 HydrophobicContact CD2-CD2 4.37Å; L153-W218 HydrophobicContact CD2-CE3 4.26Å; L153-W218 HydrophobicContact CD2-CH2 3.1Å; L153-W218 HydrophobicContact CD2-CZ2 3.35Å; L153-W218 HydrophobicContact CD2-CZ3 3.63Å; L159-W218 HydrophobicContact CB-CH2 3.2Å; L159-W218 HydrophobicContact CB-CZ2 4.05Å; L159-W218 HydrophobicContact CB-CZ3 3.86Å; L159-W218 HydrophobicContact CD1-CH2 3.94Å; L159-W218 HydrophobicContact CD1-CZ2 4.16Å; L159-W218 HydrophobicContact CG-CH2 4.2Å; T160-W218 WeakPolarHBondContact OG1-CZ3 3.34Å; V163-W218 HydrophobicContact CB-CE3 4.49Å; V163-W218 HydrophobicContact CG2-CD2 4.27Å; V163-W218 HydrophobicContact CG2-CE3 3.99Å; V163-W218 HydrophobicContact CG2-CZ3 4.41Å; N214-W218 PolarHBondContact O-N 3.48Å; V215-W218 WeakPolarHBondContact O-CB 3.28Å; V215-W218 PolarHBondContact O-N 2.82Å; V215-W218 VanDerWaalsContact O-N 3.1Å; A216-W218 VanDerWaalsContact C-N 3.3Å; A216-W218 PolarHBondContact O-N 3.48Å; W218-T220 PolarHBondContact O-N 3.07Å; W218-S221 WeakPolarHBondContact O-CB 3.48Å; W218-S221 PolarHBondContact O-N 2.91Å; W218-V222 WeakPolarHBondContact O-CG2 3.44Å; W218-V222 PolarHBondContact O-N 3.39Å; W218-F243 HydrophobicContact CB-CD1 4.14Å; W218-F243 HydrophobicContact CB-CD2 3.87Å; W218-F243 HydrophobicContact CB-CE1 3.73Å; W218-F243 HydrophobicContact CB-CE2 3.44Å; W218-F243 VanDerWaalsContact CB-CE2 3.44Å; W218-F243 HydrophobicContact CB-CG 4.21Å; W218-F243 HydrophobicContact CB-CZ 3.37Å; W218-F243 AromaticContact CD1-CD1 3.03Å; W218-F243 AromaticContact CD1-CD2 3.94Å; W218-F243 AromaticContact CD1-CE1 3.34Å; W218-F243 AromaticContact CD1-CG 3.37Å; W218-F243 AromaticContact CD1-CZ 3.93Å; W218-F243 HydrophobicContact CD2-CD1 4.47Å; W218-F243 HydrophobicContact CD2-CE1 4.08Å; W218-F243 AromaticContact CG-CD1 3.61Å; W218-F243 HydrophobicContact CG-CD1 3.61Å; W218-F243 HydrophobicContact CG-CD2 4.2Å; W218-F243 AromaticContact CG-CE1 3.39Å; W218-F243 HydrophobicContact CG-CE1 3.39Å; W218-F243 HydrophobicContact CG-CE2 4.01Å; W218-F243 HydrophobicContact CG-CG 4.02Å; W218-F243 AromaticContact CG-CZ 3.62Å; W218-F243 HydrophobicContact CG-CZ 3.62Å; W218-F243 AromaticContact NE1-CD1 3.59Å; W218-F243 AromaticContact NE1-CE1 3.92Å |
| 219 | W | 89.8 | Confident | 87.6 | Confident | 72 Ų | 72 | 70 Ų | 70 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57 | -48.6 | 179 | -86.5 | 72.9 | 0 | 0 | 0 | 111.6 | L153 F154 T160 V215 A216 S221 V222 T223 | L153-W219 HydrophobicContact CB-CH2 4.1Å; L153-W219 HydrophobicContact CB-CZ2 4.14Å; L153-W219 HydrophobicContact CB-CZ3 4.45Å; L153-W219 HydrophobicContact CD1-CD2 3.87Å; L153-W219 HydrophobicContact CD1-CE3 3.96Å; L153-W219 HydrophobicContact CD1-CG 4.24Å; L153-W219 HydrophobicContact CD1-CZ3 4.33Å; F154-W219 HydrophobicContact CD1-CH2 4.14Å; F154-W219 AromaticContact CE1-CH2 3.83Å; F154-W219 HydrophobicContact CE1-CH2 3.83Å; F154-W219 HydrophobicContact CE1-CZ3 4.24Å; F154-W219 HydrophobicContact CE2-CH2 4.24Å; F154-W219 HydrophobicContact CE2-CZ3 4.05Å; F154-W219 HydrophobicContact CG-CH2 4.48Å; F154-W219 AromaticContact CZ-CH2 3.87Å; F154-W219 HydrophobicContact CZ-CH2 3.87Å; F154-W219 AromaticContact CZ-CZ3 3.81Å; F154-W219 HydrophobicContact CZ-CZ3 3.81Å; T160-W219 PolarHBondContact OG1-NE1 3.28Å; V215-W219 VanDerWaalsContact O-CD1 3.29Å; V215-W219 PolarHBondContact O-N 3.16Å; A216-W219 PolarHBondContact O-N 2.99Å; W219-S221 VanDerWaalsContact C-N 3.35Å; W219-S221 PolarHBondContact O-N 3.34Å; W219-V222 PolarHBondContact O-N 3.47Å; W219-V222 VanDerWaalsContact O-N 3.16Å; W219-T223 WeakPolarHBondContact O-CG2 3.27Å; W219-T223 PolarHBondContact O-N 2.98Å; W219-T223 PolarHBondContact O-OG1 3.27Å |
| 220 | T | 89.6 | Confident | 87.1 | Confident | 80 Ų | 80 | 65.8 Ų | 65.8 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 177.7 | 49.4 | 0 | 0 | 0 | 0 | 112.2 | A216 W217 W218 V222 T223 Y224 | A216-T220 WeakPolarHBondContact O-CB 3.26Å; A216-T220 WeakPolarHBondContact O-CG2 3.43Å; A216-T220 PolarHBondContact O-N 3.33Å; A216-T220 PolarHBondContact O-OG1 3.1Å; W217-T220 VanDerWaalsContact CA-OG1 3.28Å; W217-T220 WeakPolarHBondContact CA-OG1 3.44Å; W217-T220 PolarHBondContact O-OG1 3.11Å; W218-T220 PolarHBondContact O-N 3.07Å; T220-V222 PolarHBondContact O-N 3.38Å; T220-T223 VanDerWaalsContact CA-OG1 3.31Å; T220-T223 WeakPolarHBondContact CA-OG1 3.38Å; T220-T223 PolarHBondContact O-N 3.5Å; T220-T223 PolarHBondContact O-OG1 3.24Å; T220-Y224 WeakPolarHBondContact O-CB 3.33Å; T220-Y224 PolarHBondContact O-N 3.47Å |
| 221 | S | 87.3 | Confident | 86.6 | Confident | 21 Ų | 21 | 66.6 Ų | 66.6 | 15% | 0.147 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.5 | -31.7 | 177.5 | -59.6 | 0 | 0 | 0 | 0 | 113.1 | W217 W218 W219 | W217-S221 PolarHBondContact NE1-OG 3.1Å; W217-S221 VanDerWaalsContact O-CB 3.31Å; W217-S221 WeakPolarHBondContact O-CB 3.44Å; W217-S221 PolarHBondContact O-N 3.09Å; W217-S221 PolarHBondContact O-OG 3.01Å; W218-S221 WeakPolarHBondContact O-CB 3.48Å; W218-S221 PolarHBondContact O-N 2.91Å; W219-S221 VanDerWaalsContact C-N 3.35Å; W219-S221 PolarHBondContact O-N 3.34Å |
| 222 | V | 85.8 | Confident | 86.2 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.006 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -79.1 | -42.6 | 177 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | P149 L153 W218 W219 T220 Y224 Q225 C239 | P149-V222 HydrophobicContact CB-CG1 3.36Å; L153-V222 HydrophobicContact CD1-CB 3.73Å; L153-V222 HydrophobicContact CD1-CG1 3.55Å; L153-V222 HydrophobicContact CD1-CG2 4.11Å; L153-V222 HydrophobicContact CG-CG1 3.99Å; W218-V222 WeakPolarHBondContact O-CG2 3.44Å; W218-V222 PolarHBondContact O-N 3.39Å; W219-V222 PolarHBondContact O-N 3.47Å; W219-V222 VanDerWaalsContact O-N 3.16Å; T220-V222 PolarHBondContact O-N 3.38Å; V222-Y224 PolarHBondContact O-N 3.44Å; V222-Q225 PolarHBondContact O-N 3.26Å; V222-C239 HydrophobicContact CG1-CB 4.36Å; V222-C239 HydrophobicContact CG2-CB 3.85Å |
| 223 | T | 84.5 | Confident | 85.5 | Confident | 78 Ų | 78 | 66.2 Ų | 66.2 | 48% | 0.479 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.6 | -22.5 | 178.6 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | W219 T220 Q225 | W219-T223 WeakPolarHBondContact O-CG2 3.27Å; W219-T223 PolarHBondContact O-N 2.98Å; W219-T223 PolarHBondContact O-OG1 3.27Å; T220-T223 VanDerWaalsContact CA-OG1 3.31Å; T220-T223 WeakPolarHBondContact CA-OG1 3.38Å; T220-T223 PolarHBondContact O-N 3.5Å; T220-T223 PolarHBondContact O-OG1 3.24Å; T223-Q225 PolarHBondContact O-N 2.87Å |
| 224 | Y | 86 | Confident | 84.7 | Confident | 204 Ų | 204 | 63.8 Ų | 63.8 | 80% | 0.8 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -7.5 | 177.5 | -163.7 | -98.6 | 0 | 0 | 0 | 113.5 | T220 V222 P226 | T220-Y224 WeakPolarHBondContact O-CB 3.33Å; T220-Y224 PolarHBondContact O-N 3.47Å; V222-Y224 PolarHBondContact O-N 3.44Å; Y224-P226 VanDerWaalsContact O-CD 3.3Å; Y224-P226 WeakPolarHBondContact O-CD 3.17Å |
| 225 | Q | 82.3 | Confident | 84.3 | Confident | 70 Ų | 70 | 65.3 Ų | 65.3 | 33% | 0.327 | 34% | 0.34 | S | S | . | . | trans | -118.5 | 61.9 | 179.2 | -60.6 | -174 | -0.2 | 0 | 0 | 111.4 | V222 T223 D227 K228 | V222-Q225 PolarHBondContact O-N 3.26Å; T223-Q225 PolarHBondContact O-N 2.87Å; Q225-D227 VanDerWaalsContact C-N 3.3Å; Q225-D227 PolarHBondContact O-N 3.41Å; Q225-K228 HydrophobicContact CB-CB 4.16Å; Q225-K228 WeakPolarHBondContact O-CB 3.41Å; Q225-K228 PolarHBondContact O-N 2.82Å | ||
| 226 | P | 74.2 | Confident | 83.6 | Confident | 90 Ų | 90 | 66.7 Ų | 66.7 | 58% | 0.584 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -32.3 | -172.4 | 27.6 | -35.4 | 0 | 0 | 0 | 113.2 | Y224 K228 | Y224-P226 VanDerWaalsContact O-CD 3.3Å; Y224-P226 WeakPolarHBondContact O-CD 3.17Å; P226-K228 PolarHBondContact O-N 3.41Å |
| 227 | D | 78.1 | Confident | 83 | Confident | 152 Ų | 152 | 66.8 Ų | 66.8 | 81% | 0.813 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -6.4 | -177 | -54.7 | -40 | 0 | 0 | 0 | 113.1 | Q225 I229 | Q225-D227 VanDerWaalsContact C-N 3.3Å; Q225-D227 PolarHBondContact O-N 3.41Å; D227-I229 PolarHBondContact O-N 2.91Å |
| 228 | K | 83.4 | Confident | 82.5 | Confident | 72 Ų | 72 | 63 Ų | 63 | 31% | 0.313 | 33% | 0.331 | S | S | . | . | trans | -76.7 | 129.8 | -177.8 | -169.6 | 176.9 | -171.1 | -177.5 | 0 | 110.1 | P149 Q225 P226 V230 Q238 | P149-K228 WeakPolarHBondContact CD-O 3.46Å; P149-K228 HydrophobicContact CG-CB 4.11Å; P149-K228 VanDerWaalsContact CG-O 3.25Å; P149-K228 WeakPolarHBondContact CG-O 3.21Å; Q225-K228 HydrophobicContact CB-CB 4.16Å; Q225-K228 WeakPolarHBondContact O-CB 3.41Å; Q225-K228 PolarHBondContact O-N 2.82Å; P226-K228 PolarHBondContact O-N 3.41Å; K228-V230 HydrophobicContact CG-CG2 4.43Å; K228-Q238 WeakPolarHBondContact CE-O 3.48Å; K228-Q238 PolarHBondContact NZ-O 3.14Å | ||
| 229 | I | 81.4 | Confident | 82 | Confident | 128 Ų | 128 | 63 Ų | 63 | 66% | 0.656 | 33% | 0.33 | S | S | * | . | trans | -94.5 | 128.7 | 178.2 | -73.1 | -176.4 | 0 | 0 | 0 | 109.8 | V146 D227 | V146-I229 HydrophobicContact CB-CG2 4.31Å; V146-I229 HydrophobicContact CG1-CB 4.23Å; V146-I229 HydrophobicContact CG1-CG2 2.92Å; D227-I229 PolarHBondContact O-N 2.91Å | ||
| 230 | V | 82.3 | Confident | 81.8 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.018 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 140.7 | -177.7 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | V147 P149 K228 Q238 | V147-V230 PolarHBondContact N-O 3.06Å; V147-V230 PolarHBondContact O-N 2.75Å; P149-V230 HydrophobicContact CB-CG2 4.34Å; P149-V230 HydrophobicContact CG-CG2 3.96Å; K228-V230 HydrophobicContact CG-CG2 4.43Å; V230-Q238 HydrophobicContact CG1-CB 3.72Å; V230-Q238 HydrophobicContact CG2-CB 4.46Å |
| 231 | S | 82.8 | Confident | 81.6 | Confident | 39 Ų | 39 | 60.9 Ų | 60.9 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 145 | 172.6 | 165.2 | 0 | 0 | 0 | 0 | 110.7 | T233 C234 | S231-T233 PolarHBondContact O-N 2.81Å; S231-T233 PolarHBondContact OG-N 2.91Å; S231-T233 PolarHBondContact OG-OG1 2.88Å; S231-C234 PolarHBondContact O-N 3.27Å |
| 232 | I | 81.5 | Confident | 81.5 | Confident | 12 Ų | 12 | 64 Ų | 64 | 6% | 0.062 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -16.9 | 174.4 | -161 | 161.6 | 0 | 0 | 0 | 113.6 | R133 L137 I142 E143 A145 C234 | R133-I232 PolarHBondContact NH2-O 3.29Å; L137-I232 HydrophobicContact CD1-CG1 4.47Å; L137-I232 HydrophobicContact CD2-CD1 3.4Å; L137-I232 VanDerWaalsContact CD2-CD1 3.4Å; L137-I232 HydrophobicContact CD2-CG1 3.53Å; I142-I232 HydrophobicContact CB-CD1 4.44Å; I142-I232 WeakPolarHBondContact O-CG2 3.46Å; E143-I232 VanDerWaalsContact O-CG2 3.26Å; E143-I232 WeakPolarHBondContact O-CG2 3.43Å; A145-I232 HydrophobicContact CB-CB 4.12Å; A145-I232 HydrophobicContact CB-CD1 3.66Å; A145-I232 HydrophobicContact CB-CG1 4.46Å; A145-I232 HydrophobicContact CB-CG2 4.48Å; A145-I232 VanDerWaalsContact O-CB 3.31Å; A145-I232 WeakPolarHBondContact O-CB 3.24Å; A145-I232 PolarHBondContact O-N 3.27Å; I232-C234 PolarHBondContact O-N 2.84Å |
| 233 | T | 77.9 | Confident | 81.6 | Confident | 76 Ų | 76 | 64.3 Ų | 64.3 | 47% | 0.466 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -12.9 | 172.9 | 59.2 | 0 | 0 | 0 | 0 | 113.7 | R133 S231 | R133-T233 PolarHBondContact NH1-O 2.87Å; R133-T233 PolarHBondContact NH2-O 3.4Å; S231-T233 PolarHBondContact O-N 2.81Å; S231-T233 PolarHBondContact OG-N 2.91Å; S231-T233 PolarHBondContact OG-OG1 2.88Å |
| 234 | C | 77.7 | Confident | 81.7 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 3% | 0.027 | 32% | 0.32 | C | S | . | . | trans | 37.4 | 86.5 | 173.8 | -63 | 0 | 0 | 0 | 0 | 114.6 | C152 A156 L159 S231 I232 | C152-C234 WeakPolarHBondContact CA-SG 3.23Å; C152-C234 HydrophobicContact CB-CB 4.29Å; C152-C234 WeakPolarHBondContact CB-SG 3.25Å; C152-C234 WeakPolarHBondContact SG-CA 3.5Å; C152-C234 WeakPolarHBondContact SG-CB 3.31Å; C152-C234 CovalentContact SG-SG 2.01Å; C152-C234 PolarHBondContact SG-SG 3.42Å; A156-C234 HydrophobicContact CB-CB 4.06Å; L159-C234 HydrophobicContact CD1-CB 4.49Å; S231-C234 PolarHBondContact O-N 3.27Å; I232-C234 PolarHBondContact O-N 2.84Å | ||
| 235 | T | 82.2 | Confident | 81.8 | Confident | 54 Ų | 54 | 55.1 Ų | 55.1 | 33% | 0.331 | 30% | 0.297 | S | S | . | . | trans | -99 | 146.6 | 166.9 | 66.9 | 0 | 0 | 0 | 0 | 110.5 | Q237 Q238 C239 | T235-Q237 PolarHBondContact O-N 2.99Å; T235-Q238 PolarHBondContact O-N 3.36Å; T235-Q238 VanDerWaalsContact O-N 3.1Å; T235-Q238 WeakPolarHBondContact OG1-CB 3.13Å; T235-Q238 WeakPolarHBondContact OG1-CG 3.34Å; T235-Q238 PolarHBondContact OG1-N 2.79Å; T235-Q238 PolarHBondContact OG1-OE1 3.34Å; T235-C239 PolarHBondContact O-N 3.03Å; T235-C239 VanDerWaalsContact O-N 3.07Å; T235-C239 PolarHBondContact O-SG 2.97Å | ||
| 236 | S | 76.6 | Confident | 82.1 | Confident | 42 Ų | 42 | 53.2 Ų | 53.2 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -55.8 | -38.6 | 177.2 | 59.8 | 0 | 0 | 0 | 0 | 112 | Q238 C239 S240 T244 | S236-Q238 PolarHBondContact O-N 3.44Å; S236-C239 PolarHBondContact O-N 3.13Å; S236-S240 PolarHBondContact O-N 3.24Å; S236-T244 PolarHBondContact O-OG1 3.38Å; S236-T244 VanDerWaalsContact O-OG1 3.06Å |
| 237 | Q | 79.8 | Confident | 82.9 | Confident | 54 Ų | 54 | 49.8 Ų | 49.8 | 25% | 0.252 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 178 | -173.1 | 177.8 | -0.8 | 0 | 0 | 112.5 | T235 Y241 T244 L308 | T235-Q237 PolarHBondContact O-N 2.99Å; Q237-Y241 HydrophobicContact CG-CD2 4.35Å; Q237-Y241 PolarHBondContact O-N 2.92Å; Q237-T244 WeakPolarHBondContact CA-OG1 3.3Å; Q237-T244 HydrophobicContact CB-CG2 4.36Å; Q237-T244 PolarHBondContact N-OG1 3.28Å; Q237-L308 HydrophobicContact CG-CD2 3.95Å |
| 238 | Q | 79.7 | Confident | 83.4 | Confident | 70 Ų | 70 | 43 Ų | 43 | 33% | 0.327 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69.6 | -37.9 | 175.1 | -74.2 | 164.3 | -34.2 | 0 | 0 | 111.5 | K228 V230 T235 S236 | K228-Q238 WeakPolarHBondContact CE-O 3.48Å; K228-Q238 PolarHBondContact NZ-O 3.14Å; V230-Q238 HydrophobicContact CG1-CB 3.72Å; V230-Q238 HydrophobicContact CG2-CB 4.46Å; T235-Q238 PolarHBondContact O-N 3.36Å; T235-Q238 VanDerWaalsContact O-N 3.1Å; T235-Q238 WeakPolarHBondContact OG1-CB 3.13Å; T235-Q238 WeakPolarHBondContact OG1-CG 3.34Å; T235-Q238 PolarHBondContact OG1-N 2.79Å; T235-Q238 PolarHBondContact OG1-OE1 3.34Å; S236-Q238 PolarHBondContact O-N 3.44Å |
| 239 | C | 79.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.3 | -48.3 | -179.8 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | C152 V222 T235 S236 | C152-C239 VanDerWaalsContact SG-SG 3.61Å; V222-C239 HydrophobicContact CG1-CB 4.36Å; V222-C239 HydrophobicContact CG2-CB 3.85Å; T235-C239 PolarHBondContact O-N 3.03Å; T235-C239 VanDerWaalsContact O-N 3.07Å; T235-C239 PolarHBondContact O-SG 2.97Å; S236-C239 PolarHBondContact O-N 3.13Å |
| 240 | S | 85.1 | Confident | 84.3 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | trans | -154.6 | 109.3 | 175.4 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | S236 F243 T244 | S236-S240 PolarHBondContact O-N 3.24Å; S240-F243 WeakPolarHBondContact OG-CB 3.4Å; S240-F243 PolarHBondContact OG-N 2.66Å; S240-T244 WeakPolarHBondContact O-CB 3.43Å; S240-T244 PolarHBondContact O-N 3.03Å; S240-T244 PolarHBondContact O-OG1 2.99Å | ||
| 241 | Y | 85 | Confident | 84.7 | Confident | 107 Ų | 107 | 40.5 Ų | 40.5 | 42% | 0.42 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.6 | -45.9 | 176.4 | 179.7 | -93.6 | 0 | 0 | 0 | 111.1 | Q237 F243 T244 F245 L308 | Q237-Y241 HydrophobicContact CG-CD2 4.35Å; Q237-Y241 PolarHBondContact O-N 2.92Å; Y241-F243 PolarHBondContact O-N 3.46Å; Y241-T244 PolarHBondContact O-N 3.2Å; Y241-F245 WeakPolarHBondContact O-CB 3.28Å; Y241-F245 PolarHBondContact O-N 3.39Å; Y241-L308 HydrophobicContact CE2-CB 4.08Å; Y241-L308 HydrophobicContact CE2-CD2 4.23Å; Y241-L308 WeakPolarHBondContact CE2-O 3.45Å; Y241-L308 PolarHBondContact OH-O 3.25Å |
| 242 | S | 85.9 | Confident | 85.2 | Confident | 87 Ų | 87 | 40.1 Ų | 40.1 | 61% | 0.608 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -60.2 | -45.1 | -179.7 | 178.2 | 0 | 0 | 0 | 0 | 111.8 | F245 G246 | S242-F245 PolarHBondContact O-N 3.07Å; S242-G246 PolarHBondContact O-N 3.25Å |
| 243 | F | 87.4 | Confident | 85.8 | Confident | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.9 | -46.2 | 175.2 | 177.7 | -92.8 | 0 | 0 | 0 | 111.8 | V163 W218 S240 Y241 F245 G246 I247 | V163-F243 HydrophobicContact CG1-CZ 4.01Å; V163-F243 HydrophobicContact CG2-CE1 4.25Å; W218-F243 HydrophobicContact CB-CD1 4.14Å; W218-F243 HydrophobicContact CB-CD2 3.87Å; W218-F243 HydrophobicContact CB-CE1 3.73Å; W218-F243 HydrophobicContact CB-CE2 3.44Å; W218-F243 VanDerWaalsContact CB-CE2 3.44Å; W218-F243 HydrophobicContact CB-CG 4.21Å; W218-F243 HydrophobicContact CB-CZ 3.37Å; W218-F243 AromaticContact CD1-CD1 3.03Å; W218-F243 AromaticContact CD1-CD2 3.94Å; W218-F243 AromaticContact CD1-CE1 3.34Å; W218-F243 AromaticContact CD1-CG 3.37Å; W218-F243 AromaticContact CD1-CZ 3.93Å; W218-F243 HydrophobicContact CD2-CD1 4.47Å; W218-F243 HydrophobicContact CD2-CE1 4.08Å; W218-F243 AromaticContact CG-CD1 3.61Å; W218-F243 HydrophobicContact CG-CD1 3.61Å; W218-F243 HydrophobicContact CG-CD2 4.2Å; W218-F243 AromaticContact CG-CE1 3.39Å; W218-F243 HydrophobicContact CG-CE1 3.39Å; W218-F243 HydrophobicContact CG-CE2 4.01Å; W218-F243 HydrophobicContact CG-CG 4.02Å; W218-F243 AromaticContact CG-CZ 3.62Å; W218-F243 HydrophobicContact CG-CZ 3.62Å; W218-F243 AromaticContact NE1-CD1 3.59Å; W218-F243 AromaticContact NE1-CE1 3.92Å; S240-F243 WeakPolarHBondContact OG-CB 3.4Å; S240-F243 PolarHBondContact OG-N 2.66Å; Y241-F243 PolarHBondContact O-N 3.46Å; F243-F245 VanDerWaalsContact C-N 3.27Å; F243-F245 PolarHBondContact O-N 3.28Å; F243-G246 PolarHBondContact O-N 3.12Å; F243-G246 VanDerWaalsContact O-N 3.16Å; F243-I247 HydrophobicContact CD1-CG2 4.27Å; F243-I247 HydrophobicContact CE1-CB 4.03Å; F243-I247 HydrophobicContact CE1-CG1 4.42Å; F243-I247 HydrophobicContact CE1-CG2 3.88Å; F243-I247 HydrophobicContact CZ-CB 3.99Å; F243-I247 HydrophobicContact CZ-CD1 4.25Å; F243-I247 HydrophobicContact CZ-CG1 4.14Å; F243-I247 HydrophobicContact CZ-CG2 4.36Å; F243-I247 WeakPolarHBondContact O-CG2 3.46Å; F243-I247 PolarHBondContact O-N 3.36Å |
| 244 | T | 87.2 | Confident | 86.5 | Confident | 17 Ų | 17 | 40.6 Ų | 40.6 | 10% | 0.104 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.6 | -38.3 | -178.3 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | S236 Q237 S240 Y241 I247 G248 L308 | S236-T244 PolarHBondContact O-OG1 3.38Å; S236-T244 VanDerWaalsContact O-OG1 3.06Å; Q237-T244 WeakPolarHBondContact CA-OG1 3.3Å; Q237-T244 HydrophobicContact CB-CG2 4.36Å; Q237-T244 PolarHBondContact N-OG1 3.28Å; S240-T244 WeakPolarHBondContact O-CB 3.43Å; S240-T244 PolarHBondContact O-N 3.03Å; S240-T244 PolarHBondContact O-OG1 2.99Å; Y241-T244 PolarHBondContact O-N 3.2Å; T244-I247 WeakPolarHBondContact O-CG2 3.41Å; T244-G248 PolarHBondContact O-N 3.38Å; T244-G248 VanDerWaalsContact O-N 3.1Å; T244-L308 HydrophobicContact CG2-CD1 4.29Å; T244-L308 HydrophobicContact CG2-CD2 3.94Å |
| 245 | F | 88.4 | Confident | 87.2 | Confident | 71 Ų | 71 | 40.4 Ų | 40.4 | 31% | 0.311 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.8 | -47.9 | 172.9 | -176.5 | -100.1 | 0 | 0 | 0 | 112 | Y241 S242 F243 I247 G248 L249 V305 L308 | Y241-F245 WeakPolarHBondContact O-CB 3.28Å; Y241-F245 PolarHBondContact O-N 3.39Å; S242-F245 PolarHBondContact O-N 3.07Å; F243-F245 VanDerWaalsContact C-N 3.27Å; F243-F245 PolarHBondContact O-N 3.28Å; F245-I247 PolarHBondContact O-N 2.87Å; F245-G248 PolarHBondContact O-N 3.1Å; F245-L249 HydrophobicContact CD1-CD1 3.93Å; F245-L249 HydrophobicContact CE1-CD1 3.34Å; F245-L249 HydrophobicContact CE1-CG 4.18Å; F245-L249 HydrophobicContact CZ-CD1 3.69Å; F245-L249 HydrophobicContact CZ-CG 4.23Å; F245-L249 PolarHBondContact O-N 2.96Å; F245-V305 HydrophobicContact CE2-CG1 4.36Å; F245-L308 VanDerWaalsContact CA-CD1 3.5Å; F245-L308 HydrophobicContact CB-CD1 3.96Å; F245-L308 HydrophobicContact CD2-CB 4.41Å; F245-L308 HydrophobicContact CD2-CD1 3.91Å; F245-L308 HydrophobicContact CG-CD1 4.43Å |
| 246 | G | 88.8 | Confident | 87.7 | Confident | 30 Ų | 30 | 40.6 Ų | 40.6 | 31% | 0.309 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.4 | -45.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S242 F243 L249 F250 | S242-G246 PolarHBondContact O-N 3.25Å; F243-G246 PolarHBondContact O-N 3.12Å; F243-G246 VanDerWaalsContact O-N 3.16Å; G246-L249 PolarHBondContact O-N 3.44Å; G246-F250 WeakPolarHBondContact O-CB 3.34Å; G246-F250 PolarHBondContact O-N 3.06Å |
| 247 | I | 89.3 | Confident | 88.5 | Confident | 18 Ų | 18 | 41.6 Ų | 41.6 | 9% | 0.092 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.7 | -34.5 | 178.9 | -160.1 | 68.9 | 0 | 0 | 0 | 111.9 | F243 T244 F245 F250 Y251 | F243-I247 HydrophobicContact CD1-CG2 4.27Å; F243-I247 HydrophobicContact CE1-CB 4.03Å; F243-I247 HydrophobicContact CE1-CG1 4.42Å; F243-I247 HydrophobicContact CE1-CG2 3.88Å; F243-I247 HydrophobicContact CZ-CB 3.99Å; F243-I247 HydrophobicContact CZ-CD1 4.25Å; F243-I247 HydrophobicContact CZ-CG1 4.14Å; F243-I247 HydrophobicContact CZ-CG2 4.36Å; F243-I247 WeakPolarHBondContact O-CG2 3.46Å; F243-I247 PolarHBondContact O-N 3.36Å; T244-I247 WeakPolarHBondContact O-CG2 3.41Å; F245-I247 PolarHBondContact O-N 2.87Å; I247-F250 HydrophobicContact CD1-CB 4.43Å; I247-F250 HydrophobicContact CD1-CD1 4.03Å; I247-F250 HydrophobicContact CD1-CG 4.45Å; I247-F250 WeakPolarHBondContact O-CB 3.45Å; I247-F250 PolarHBondContact O-N 2.73Å; I247-Y251 HydrophobicContact CD1-CE1 4.04Å; I247-Y251 HydrophobicContact CD1-CE2 4.49Å; I247-Y251 HydrophobicContact CG1-CD2 4.27Å; I247-Y251 HydrophobicContact CG1-CE1 4.02Å; I247-Y251 HydrophobicContact CG1-CE2 3.59Å; I247-Y251 VanDerWaalsContact CG1-CZ 3.42Å; I247-Y251 WeakPolarHBondContact CG1-OH 3.43Å; I247-Y251 VanDerWaalsContact O-CD2 3.31Å; I247-Y251 WeakPolarHBondContact O-CD2 3.49Å; I247-Y251 PolarHBondContact O-N 3.27Å |
| 248 | G | 89.4 | Confident | 89 | Confident | 11 Ų | 11 | 39.1 Ų | 39.1 | 11% | 0.113 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62 | -43.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | T244 F245 L252 | T244-G248 PolarHBondContact O-N 3.38Å; T244-G248 VanDerWaalsContact O-N 3.1Å; F245-G248 PolarHBondContact O-N 3.1Å; G248-L252 WeakPolarHBondContact O-CB 3.3Å; G248-L252 PolarHBondContact O-N 3.29Å |
| 249 | L | 90.9 | Very high | 89.6 | Confident | 64 Ų | 64 | 37.5 Ų | 37.5 | 34% | 0.335 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.3 | -40.9 | 172.8 | -72.8 | 180 | 0 | 0 | 0 | 112.4 | F245 G246 Y251 L252 V253 V305 | F245-L249 HydrophobicContact CD1-CD1 3.93Å; F245-L249 HydrophobicContact CE1-CD1 3.34Å; F245-L249 HydrophobicContact CE1-CG 4.18Å; F245-L249 HydrophobicContact CZ-CD1 3.69Å; F245-L249 HydrophobicContact CZ-CG 4.23Å; F245-L249 PolarHBondContact O-N 2.96Å; G246-L249 PolarHBondContact O-N 3.44Å; L249-Y251 PolarHBondContact O-N 2.81Å; L249-L252 PolarHBondContact O-N 3.26Å; L249-V253 WeakPolarHBondContact O-CB 3.28Å; L249-V253 VanDerWaalsContact O-CG2 3.26Å; L249-V253 WeakPolarHBondContact O-CG2 3.38Å; L249-V253 PolarHBondContact O-N 3.03Å; L249-V305 HydrophobicContact CD2-CG1 4.28Å; L249-V305 HydrophobicContact CD2-CG2 4.46Å |
| 250 | F | 92.3 | Very high | 90.2 | Very high | 66 Ų | 66 | 43.9 Ų | 43.9 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.8 | -47.5 | 177.2 | 173.1 | -94.1 | 0 | 0 | 0 | 111.6 | T167 T170 F171 G246 I247 V253 G254 | T167-F250 HydrophobicContact CG2-CE1 4.11Å; T167-F250 HydrophobicContact CG2-CZ 4.46Å; T170-F250 HydrophobicContact CG2-CE1 4.47Å; F171-F250 AromaticContact CE1-CZ 3.96Å; F171-F250 HydrophobicContact CE1-CZ 3.96Å; F171-F250 HydrophobicContact CE2-CZ 4.28Å; F171-F250 HydrophobicContact CZ-CE2 4.37Å; F171-F250 AromaticContact CZ-CZ 3.66Å; F171-F250 HydrophobicContact CZ-CZ 3.66Å; G246-F250 WeakPolarHBondContact O-CB 3.34Å; G246-F250 PolarHBondContact O-N 3.06Å; I247-F250 HydrophobicContact CD1-CB 4.43Å; I247-F250 HydrophobicContact CD1-CD1 4.03Å; I247-F250 HydrophobicContact CD1-CG 4.45Å; I247-F250 WeakPolarHBondContact O-CB 3.45Å; I247-F250 PolarHBondContact O-N 2.73Å; F250-V253 PolarHBondContact O-N 3.14Å; F250-G254 PolarHBondContact O-N 2.94Å |
| 251 | Y | 92.2 | Very high | 90.4 | Very high | 19 Ų | 19 | 44 Ų | 44 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.4 | -44.7 | 177 | -63 | -32.9 | 0 | 0 | 0 | 112.2 | V163 N166 T167 T170 I247 L249 V253 G254 D255 D301 | V163-Y251 PolarHBondContact O-OH 2.91Å; N166-Y251 HydrophobicContact CB-CE1 4.15Å; N166-Y251 HydrophobicContact CB-CE2 4.17Å; N166-Y251 WeakPolarHBondContact CB-OH 2.89Å; T167-Y251 PolarHBondContact OG1-OH 2.93Å; T170-Y251 WeakPolarHBondContact OG1-CD1 3.41Å; I247-Y251 HydrophobicContact CD1-CE1 4.04Å; I247-Y251 HydrophobicContact CD1-CE2 4.49Å; I247-Y251 HydrophobicContact CG1-CD2 4.27Å; I247-Y251 HydrophobicContact CG1-CE1 4.02Å; I247-Y251 HydrophobicContact CG1-CE2 3.59Å; I247-Y251 VanDerWaalsContact CG1-CZ 3.42Å; I247-Y251 WeakPolarHBondContact CG1-OH 3.43Å; I247-Y251 VanDerWaalsContact O-CD2 3.31Å; I247-Y251 WeakPolarHBondContact O-CD2 3.49Å; I247-Y251 PolarHBondContact O-N 3.27Å; L249-Y251 PolarHBondContact O-N 2.81Å; Y251-V253 PolarHBondContact O-N 3.44Å; Y251-G254 PolarHBondContact O-N 3.44Å; Y251-G254 VanDerWaalsContact O-N 3.15Å; Y251-D255 PolarHBondContact O-N 2.84Å; Y251-D301 VanDerWaalsContact C-OD2 3.23Å; Y251-D301 WeakPolarHBondContact CB-OD2 3.41Å |
| 252 | L | 92.9 | Very high | 90.6 | Very high | 32 Ų | 32 | 39.1 Ų | 39.1 | 17% | 0.168 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.6 | -46.4 | 177.4 | -179.9 | 61.6 | 0 | 0 | 0 | 111.9 | G248 L249 D255 C256 I298 D301 I302 V305 | G248-L252 WeakPolarHBondContact O-CB 3.3Å; G248-L252 PolarHBondContact O-N 3.29Å; L249-L252 PolarHBondContact O-N 3.26Å; L252-D255 PolarHBondContact O-N 3.41Å; L252-C256 WeakPolarHBondContact O-CB 3.39Å; L252-C256 PolarHBondContact O-N 2.71Å; L252-C256 PolarHBondContact O-SG 3.21Å; L252-I298 HydrophobicContact CD1-CG2 4.2Å; L252-D301 HydrophobicContact CB-CB 4.24Å; L252-D301 HydrophobicContact CD1-CB 4.11Å; L252-D301 PolarHBondContact N-OD2 2.86Å; L252-I302 HydrophobicContact CD1-CG1 3.74Å; L252-I302 HydrophobicContact CD2-CG1 4.49Å; L252-V305 HydrophobicContact CD2-CG2 4.49Å |
| 253 | V | 94.1 | Very high | 90.7 | Very high | 92 Ų | 92 | 37.6 Ų | 37.6 | 56% | 0.558 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -62.8 | -44.4 | 176.2 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | L249 F250 Y251 D255 C256 V257 | L249-V253 WeakPolarHBondContact O-CB 3.28Å; L249-V253 VanDerWaalsContact O-CG2 3.26Å; L249-V253 WeakPolarHBondContact O-CG2 3.38Å; L249-V253 PolarHBondContact O-N 3.03Å; F250-V253 PolarHBondContact O-N 3.14Å; Y251-V253 PolarHBondContact O-N 3.44Å; V253-D255 PolarHBondContact O-N 2.93Å; V253-C256 WeakPolarHBondContact O-CB 3.35Å; V253-C256 PolarHBondContact O-N 2.89Å; V253-V257 WeakPolarHBondContact O-CG2 3.36Å; V253-V257 PolarHBondContact O-N 3.45Å |
| 254 | G | 92.6 | Very high | 90.7 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 6% | 0.062 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.8 | -46.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I174 F250 Y251 C256 V257 C258 | I174-G254 WeakPolarHBondContact CG1-O 3.04Å; F250-G254 PolarHBondContact O-N 2.94Å; Y251-G254 PolarHBondContact O-N 3.44Å; Y251-G254 VanDerWaalsContact O-N 3.15Å; G254-C256 VanDerWaalsContact C-N 3.34Å; G254-C256 PolarHBondContact O-N 3.24Å; G254-V257 PolarHBondContact O-N 3.14Å; G254-C258 PolarHBondContact O-N 2.97Å |
| 255 | D | 91.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69 | -32.2 | 178.5 | -71.7 | -18.3 | 0 | 0 | 0 | 112.2 | Y251 L252 V253 C258 L259 A297 I298 D301 R324 | Y251-D255 PolarHBondContact O-N 2.84Å; L252-D255 PolarHBondContact O-N 3.41Å; V253-D255 PolarHBondContact O-N 2.93Å; D255-C258 PolarHBondContact O-N 3.06Å; D255-L259 WeakPolarHBondContact O-CB 3.32Å; D255-L259 PolarHBondContact O-N 3.23Å; D255-A297 HydrophobicContact CB-CB 4.2Å; D255-A297 VanDerWaalsContact OD2-CB 3.28Å; D255-A297 WeakPolarHBondContact OD2-CB 3.45Å; D255-I298 HydrophobicContact CB-CG1 3.96Å; D255-D301 VanDerWaalsContact OD2-OD2 3.05Å; D255-R324 IonicContact OD1-NH1 2.87Å; D255-R324 IonicContact OD1-NH2 3.25Å; D255-R324 IonicContact OD2-CZ 3.45Å; D255-R324 IonicContact OD2-NH1 3.49Å; D255-R324 PolarHBondContact OD2-NH1 2.9Å; D255-R324 IonicContact OD2-NH2 2.75Å; D255-R324 PolarHBondContact OD2-NH2 3.5Å |
| 256 | C | 93.3 | Very high | 90.2 | Very high | 57 Ų | 57 | 36.1 Ų | 36.1 | 39% | 0.385 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.7 | -39.6 | 171.3 | -69.9 | 0 | 0 | 0 | 0 | 112.1 | L252 V253 G254 L259 F260 | L252-C256 WeakPolarHBondContact O-CB 3.39Å; L252-C256 PolarHBondContact O-N 2.71Å; L252-C256 PolarHBondContact O-SG 3.21Å; V253-C256 WeakPolarHBondContact O-CB 3.35Å; V253-C256 PolarHBondContact O-N 2.89Å; G254-C256 VanDerWaalsContact C-N 3.34Å; G254-C256 PolarHBondContact O-N 3.24Å; C256-L259 PolarHBondContact O-N 3.23Å; C256-F260 VanDerWaalsContact O-CB 3.31Å; C256-F260 WeakPolarHBondContact O-CB 3.36Å; C256-F260 PolarHBondContact O-N 3.47Å |
| 257 | V | 93.2 | Very high | 90 | Very high | 64 Ų | 64 | 39.3 Ų | 39.3 | 39% | 0.388 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.1 | -42.6 | 174.6 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | I174 V253 G254 F260 A261 | I174-V257 HydrophobicContact CG2-CG1 4.01Å; V253-V257 WeakPolarHBondContact O-CG2 3.36Å; V253-V257 PolarHBondContact O-N 3.45Å; G254-V257 PolarHBondContact O-N 3.14Å; V257-F260 PolarHBondContact O-N 2.82Å; V257-A261 WeakPolarHBondContact O-CB 3.3Å; V257-A261 PolarHBondContact O-N 3.37Å |
| 258 | C | 90.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.5 | -50 | 173.8 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | S173 I174 G254 D255 F260 A261 L262 | S173-C258 PolarHBondContact O-SG 2.89Å; I174-C258 HydrophobicContact CG1-CB 4.3Å; G254-C258 PolarHBondContact O-N 2.97Å; D255-C258 PolarHBondContact O-N 3.06Å; C258-F260 VanDerWaalsContact C-N 3.33Å; C258-F260 PolarHBondContact O-N 3.4Å; C258-A261 PolarHBondContact O-N 2.86Å; C258-L262 WeakPolarHBondContact O-CG 3.24Å; C258-L262 PolarHBondContact O-N 3.42Å |
| 259 | L | 91.7 | Very high | 88.7 | Confident | 36 Ų | 36 | 39.4 Ų | 39.4 | 19% | 0.188 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.3 | -44.8 | 176.4 | -178.5 | 69.3 | 0 | 0 | 0 | 111.6 | D255 C256 A261 L262 C263 V290 N293 V294 I298 | D255-L259 WeakPolarHBondContact O-CB 3.32Å; D255-L259 PolarHBondContact O-N 3.23Å; C256-L259 PolarHBondContact O-N 3.23Å; L259-A261 PolarHBondContact O-N 3.01Å; L259-L262 WeakPolarHBondContact O-CB 3.38Å; L259-L262 PolarHBondContact O-N 3.31Å; L259-C263 PolarHBondContact O-N 2.78Å; L259-C263 PolarHBondContact O-SG 3.36Å; L259-C263 VanDerWaalsContact O-SG 3.32Å; L259-V290 HydrophobicContact CD1-CB 4.45Å; L259-V290 HydrophobicContact CD1-CG1 3.9Å; L259-V290 HydrophobicContact CD1-CG2 4.49Å; L259-N293 HydrophobicContact CD1-CB 4.43Å; L259-V294 HydrophobicContact CD1-CG2 4.03Å; L259-V294 HydrophobicContact CD2-CG2 4.19Å; L259-I298 HydrophobicContact CB-CD1 4.01Å; L259-I298 HydrophobicContact CD2-CD1 3.49Å; L259-I298 VanDerWaalsContact CD2-CD1 3.49Å; L259-I298 HydrophobicContact CG-CD1 4.24Å |
| 260 | F | 92.6 | Very high | 87.9 | Confident | 134 Ų | 134 | 42.7 Ų | 42.7 | 59% | 0.588 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -61.6 | -43.2 | 178.3 | -178.4 | -105.2 | 0 | 0 | 0 | 111.9 | C256 V257 C258 L262 C263 L264 | C256-F260 VanDerWaalsContact O-CB 3.31Å; C256-F260 WeakPolarHBondContact O-CB 3.36Å; C256-F260 PolarHBondContact O-N 3.47Å; V257-F260 PolarHBondContact O-N 2.82Å; C258-F260 VanDerWaalsContact C-N 3.33Å; C258-F260 PolarHBondContact O-N 3.4Å; F260-L262 PolarHBondContact O-N 3.02Å; F260-C263 PolarHBondContact O-N 3.15Å; F260-L264 HydrophobicContact CD1-CD1 3.96Å; F260-L264 HydrophobicContact CD1-CG 4.38Å; F260-L264 HydrophobicContact CE1-CD1 3.43Å; F260-L264 VanDerWaalsContact CE1-CD1 3.43Å; F260-L264 HydrophobicContact CE1-CG 4.02Å; F260-L264 HydrophobicContact CZ-CD1 3.87Å; F260-L264 HydrophobicContact CZ-CD2 4.21Å; F260-L264 HydrophobicContact CZ-CG 4.08Å; F260-L264 WeakPolarHBondContact O-CG 3.26Å; F260-L264 PolarHBondContact O-N 3.47Å |
| 261 | A | 89.5 | Confident | 87.1 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P177 I178 V257 C258 L259 L264 L265 | P177-A261 HydrophobicContact CB-CB 3.76Å; P177-A261 HydrophobicContact CG-CB 3.87Å; I178-A261 HydrophobicContact CG1-CB 4.25Å; V257-A261 WeakPolarHBondContact O-CB 3.3Å; V257-A261 PolarHBondContact O-N 3.37Å; C258-A261 PolarHBondContact O-N 2.86Å; L259-A261 PolarHBondContact O-N 3.01Å; A261-L264 PolarHBondContact O-N 2.89Å; A261-L265 WeakPolarHBondContact O-CB 3.07Å; A261-L265 PolarHBondContact O-N 2.7Å |
| 262 | L | 87.5 | Confident | 85.8 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 173.4 | -72.9 | 170.8 | 0 | 0 | 0 | 112.5 | P177 C258 L259 F260 L265 G266 V290 N293 | P177-L262 HydrophobicContact CB-CD2 3.96Å; P177-L262 HydrophobicContact CB-CG 4.03Å; C258-L262 WeakPolarHBondContact O-CG 3.24Å; C258-L262 PolarHBondContact O-N 3.42Å; L259-L262 WeakPolarHBondContact O-CB 3.38Å; L259-L262 PolarHBondContact O-N 3.31Å; F260-L262 PolarHBondContact O-N 3.02Å; L262-L265 WeakPolarHBondContact O-CB 3.46Å; L262-L265 PolarHBondContact O-N 2.88Å; L262-G266 PolarHBondContact O-N 3.43Å; L262-V290 HydrophobicContact CB-CG2 4.24Å; L262-N293 HydrophobicContact CD1-CB 4.46Å; L262-N293 WeakPolarHBondContact CD1-ND2 3.5Å |
| 263 | C | 88.7 | Confident | 84.3 | Confident | 54 Ų | 54 | 54.5 Ų | 54.5 | 37% | 0.365 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 174.9 | -73 | 0 | 0 | 0 | 0 | 111.7 | L259 F260 L265 G266 L267 | L259-C263 PolarHBondContact O-N 2.78Å; L259-C263 PolarHBondContact O-SG 3.36Å; L259-C263 VanDerWaalsContact O-SG 3.32Å; F260-C263 PolarHBondContact O-N 3.15Å; C263-L265 VanDerWaalsContact C-N 3.33Å; C263-L265 PolarHBondContact O-N 2.84Å; C263-G266 PolarHBondContact O-N 3.37Å; C263-L267 WeakPolarHBondContact O-CG 3.29Å; C263-L267 PolarHBondContact O-N 3.23Å |
| 264 | L | 88.5 | Confident | 82.3 | Confident | 39 Ų | 39 | 57.7 Ų | 57.7 | 20% | 0.204 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 174.8 | -72.9 | -177.8 | 0 | 0 | 0 | 112.3 | L181 F260 A261 G266 L267 A268 | L181-L264 HydrophobicContact CD1-CB 4.08Å; L181-L264 HydrophobicContact CD2-CB 4.04Å; L181-L264 HydrophobicContact CD2-CD1 3.89Å; F260-L264 HydrophobicContact CD1-CD1 3.96Å; F260-L264 HydrophobicContact CD1-CG 4.38Å; F260-L264 HydrophobicContact CE1-CD1 3.43Å; F260-L264 VanDerWaalsContact CE1-CD1 3.43Å; F260-L264 HydrophobicContact CE1-CG 4.02Å; F260-L264 HydrophobicContact CZ-CD1 3.87Å; F260-L264 HydrophobicContact CZ-CD2 4.21Å; F260-L264 HydrophobicContact CZ-CG 4.08Å; F260-L264 WeakPolarHBondContact O-CG 3.26Å; F260-L264 PolarHBondContact O-N 3.47Å; A261-L264 PolarHBondContact O-N 2.89Å; L264-G266 VanDerWaalsContact C-N 3.34Å; L264-L267 PolarHBondContact O-N 3.31Å; L264-A268 WeakPolarHBondContact O-CB 3.19Å; L264-A268 PolarHBondContact O-N 2.87Å |
| 265 | L | 83.6 | Confident | 80.3 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 174.1 | -173.5 | 64.6 | 0 | 0 | 0 | 111.2 | R180 F184 A261 L262 C263 A268 N269 L286 | R180-L265 HydrophobicContact CB-CD1 4.17Å; R180-L265 HydrophobicContact CB-CD2 3.99Å; F184-L265 HydrophobicContact CD2-CD1 3.5Å; F184-L265 HydrophobicContact CE2-CD1 3.58Å; A261-L265 WeakPolarHBondContact O-CB 3.07Å; A261-L265 PolarHBondContact O-N 2.7Å; L262-L265 WeakPolarHBondContact O-CB 3.46Å; L262-L265 PolarHBondContact O-N 2.88Å; C263-L265 VanDerWaalsContact C-N 3.33Å; C263-L265 PolarHBondContact O-N 2.84Å; L265-A268 PolarHBondContact O-N 3.48Å; L265-N269 WeakPolarHBondContact O-CB 3.18Å; L265-N269 PolarHBondContact O-N 2.82Å; L265-N269 PolarHBondContact O-ND2 3.28Å; L265-L286 HydrophobicContact CD2-CD2 4.17Å; L265-L286 HydrophobicContact CG-CD2 4.42Å |
| 266 | G | 81.1 | Confident | 78.5 | Confident | 22 Ų | 22 | 68.9 Ų | 68.9 | 23% | 0.227 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | L262 C263 L264 A268 N269 Y270 | L262-G266 PolarHBondContact O-N 3.43Å; C263-G266 PolarHBondContact O-N 3.37Å; L264-G266 VanDerWaalsContact C-N 3.34Å; G266-A268 PolarHBondContact O-N 2.84Å; G266-N269 PolarHBondContact O-N 3.46Å; G266-Y270 WeakPolarHBondContact O-CB 3.47Å; G266-Y270 PolarHBondContact O-N 3.23Å |
| 267 | L | 83.3 | Confident | 76.6 | Confident | 97 Ų | 97 | 72.3 Ų | 72.3 | 51% | 0.508 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 176.8 | -72.8 | 170.5 | 0 | 0 | 0 | 112.5 | C263 L264 Y270 R271 | C263-L267 WeakPolarHBondContact O-CG 3.29Å; C263-L267 PolarHBondContact O-N 3.23Å; L264-L267 PolarHBondContact O-N 3.31Å; L267-Y270 PolarHBondContact O-N 3.44Å; L267-R271 WeakPolarHBondContact O-CB 3.2Å; L267-R271 WeakPolarHBondContact O-CG 3.47Å; L267-R271 PolarHBondContact O-N 3.22Å |
| 268 | A | 78.1 | Confident | 74.6 | Confident | 20 Ų | 20 | 75.6 Ų | 75.6 | 17% | 0.165 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L264 L265 G266 H272 | L264-A268 WeakPolarHBondContact O-CB 3.19Å; L264-A268 PolarHBondContact O-N 2.87Å; L265-A268 PolarHBondContact O-N 3.48Å; G266-A268 PolarHBondContact O-N 2.84Å; A268-H272 WeakPolarHBondContact O-CB 3.27Å; A268-H272 PolarHBondContact O-N 3.33Å; A268-H272 VanDerWaalsContact O-N 3.16Å |
| 269 | N | 74.3 | Confident | 72.8 | Confident | 11 Ų | 11 | 77.7 Ų | 77.7 | 6% | 0.059 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 175.7 | -83 | -59.8 | 0 | 0 | 0 | 112.5 | L265 G266 H272 R273 L286 | L265-N269 WeakPolarHBondContact O-CB 3.18Å; L265-N269 PolarHBondContact O-N 2.82Å; L265-N269 PolarHBondContact O-ND2 3.28Å; G266-N269 PolarHBondContact O-N 3.46Å; N269-H272 PolarHBondContact O-N 3.34Å; N269-R273 WeakPolarHBondContact O-CB 3.47Å; N269-R273 WeakPolarHBondContact O-CG 3.48Å; N269-R273 PolarHBondContact O-N 3.01Å; N269-R273 VanDerWaalsContact O-N 3.15Å; N269-L286 HydrophobicContact CB-CD1 4.21Å |
| 270 | Y | 74.1 | Confident | 71.5 | Confident | 133 Ų | 133 | 79.5 Ų | 79.5 | 52% | 0.522 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.8 | -50.5 | 178.9 | -177.5 | -96.9 | 0 | 0 | 0 | 111.7 | G266 L267 H272 R273 F274 | G266-Y270 WeakPolarHBondContact O-CB 3.47Å; G266-Y270 PolarHBondContact O-N 3.23Å; L267-Y270 PolarHBondContact O-N 3.44Å; Y270-H272 PolarHBondContact O-N 3.16Å; Y270-R273 PolarHBondContact O-N 3.1Å; Y270-R273 VanDerWaalsContact O-N 3.14Å; Y270-F274 HydrophobicContact CE1-CD2 4.06Å; Y270-F274 HydrophobicContact CE1-CE2 4.42Å; Y270-F274 HydrophobicContact CE2-CD2 4.37Å; Y270-F274 AromaticContact CZ-CD2 3.79Å; Y270-F274 AromaticContact CZ-CE2 3.91Å; Y270-F274 PolarHBondContact O-N 2.98Å; Y270-F274 VanDerWaalsContact OH-CE2 3.31Å; Y270-F274 WeakPolarHBondContact OH-CE2 3.03Å |
| 271 | R | 74.7 | Confident | 70.3 | Confident | 206 Ų | 206 | 81.5 Ų | 81.5 | 78% | 0.777 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -58.5 | -37.9 | 178.4 | -77.9 | -173.5 | 175.7 | -171 | -0.6 | 112.4 | L267 | L267-R271 WeakPolarHBondContact O-CB 3.2Å; L267-R271 WeakPolarHBondContact O-CG 3.47Å; L267-R271 PolarHBondContact O-N 3.22Å |
| 272 | H | 65.3 | Low | 69.2 | Low | 104 Ų | 104 | 82 Ų | 82 | 48% | 0.481 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -75.7 | -24.1 | -178.2 | -159.8 | -68 | 0 | 0 | 0 | 113.1 | A268 N269 Y270 F349 | A268-H272 WeakPolarHBondContact O-CB 3.27Å; A268-H272 PolarHBondContact O-N 3.33Å; A268-H272 VanDerWaalsContact O-N 3.16Å; N269-H272 PolarHBondContact O-N 3.34Å; Y270-H272 PolarHBondContact O-N 3.16Å; H272-F349 AromaticContact CE1-CD2 3.65Å; H272-F349 AromaticContact CE1-CE2 3.17Å; H272-F349 WeakPolarHBondContact CE1-CE2 3.31Å; H272-F349 AromaticContact NE2-CE2 3.17Å; H272-F349 WeakPolarHBondContact NE2-CE2 3.38Å; H272-F349 AromaticContact NE2-CZ 3.79Å |
| 273 | R | 60.8 | Low | 68.4 | Low | 54 Ų | 54 | 85 Ų | 85 | 20% | 0.204 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -111.7 | 2.5 | -170.4 | -66.8 | -155.2 | -158.5 | 174.3 | 32.6 | 116.4 | N269 Y270 L275 N276 V279 S282 V345 | N269-R273 WeakPolarHBondContact O-CB 3.47Å; N269-R273 WeakPolarHBondContact O-CG 3.48Å; N269-R273 PolarHBondContact O-N 3.01Å; N269-R273 VanDerWaalsContact O-N 3.15Å; Y270-R273 PolarHBondContact O-N 3.1Å; Y270-R273 VanDerWaalsContact O-N 3.14Å; R273-L275 PolarHBondContact O-N 3.18Å; R273-N276 PolarHBondContact O-N 3.23Å; R273-V279 HydrophobicContact CB-CG2 4.18Å; R273-S282 PolarHBondContact NH2-OG 3.32Å; R273-V345 VanDerWaalsContact CZ-CG1 3.44Å |
| 274 | F | 52.7 | Low | 67.7 | Low | 159 Ų | 159 | 85.9 Ų | 85.9 | 70% | 0.697 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -5.2 | 166.8 | -147 | -92.6 | 0 | 0 | 0 | 113.5 | Y270 | Y270-F274 HydrophobicContact CE1-CD2 4.06Å; Y270-F274 HydrophobicContact CE1-CE2 4.42Å; Y270-F274 HydrophobicContact CE2-CD2 4.37Å; Y270-F274 AromaticContact CZ-CD2 3.79Å; Y270-F274 AromaticContact CZ-CE2 3.91Å; Y270-F274 PolarHBondContact O-N 2.98Å; Y270-F274 VanDerWaalsContact OH-CE2 3.31Å; Y270-F274 WeakPolarHBondContact OH-CE2 3.03Å |
| 275 | L | 50.2 | Low | 67.1 | Low | 155 Ų | 155 | 85.9 Ų | 85.9 | 81% | 0.812 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -3.5 | 176.2 | -70.7 | 162.7 | 0 | 0 | 0 | 115.3 | R273 | R273-L275 PolarHBondContact O-N 3.18Š|
| 276 | N | 53.8 | Low | 66.8 | Low | 86 Ų | 86 | 86.4 Ų | 86.4 | 46% | 0.46 | 44% | 0.444 | S | S | . | . | trans | -136.9 | 122.4 | 177.4 | -79.9 | -50.8 | 0 | 0 | 0 | 112.1 | R273 T278 V279 K352 | R273-N276 PolarHBondContact O-N 3.23Å; N276-T278 PolarHBondContact O-N 2.81Å; N276-T278 VanDerWaalsContact O-N 3.11Å; N276-V279 WeakPolarHBondContact O-CG2 3.49Å; N276-K352 PolarHBondContact ND2-NZ 2.97Å | ||
| 277 | S | 53.3 | Low | 66.9 | Low | 130 Ų | 130 | 92 Ų | 92 | 91% | 0.909 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -67.6 | -3.7 | -171.9 | -169.2 | 0 | 0 | 0 | 0 | 116.3 | V279 | S277-V279 PolarHBondContact O-N 3.09Š|
| 278 | T | 51.7 | Low | 66.9 | Low | 132 Ų | 132 | 90.2 Ų | 90.2 | 81% | 0.81 | 46% | 0.455 | S | S | * | . | trans | -101.1 | 32 | -167.8 | 49.8 | 0 | 0 | 0 | 0 | 115 | N276 | N276-T278 PolarHBondContact O-N 2.81Å; N276-T278 VanDerWaalsContact O-N 3.11Å | ||
| 279 | V | 53.6 | Low | 67.2 | Low | 45 Ų | 45 | 89.5 Ų | 89.5 | 27% | 0.273 | 45% | 0.449 | S | S | . | . | trans | -114.3 | 80.7 | -165.1 | -174 | 0 | 0 | 0 | 0 | 112.1 | R273 N276 S277 V283 | R273-V279 HydrophobicContact CB-CG2 4.18Å; N276-V279 WeakPolarHBondContact O-CG2 3.49Å; S277-V279 PolarHBondContact O-N 3.09Å; V279-V283 HydrophobicContact CG1-CG2 3.76Å | ||
| 280 | S | 63.5 | Low | 67.8 | Low | 74 Ų | 74 | 90.8 Ų | 90.8 | 52% | 0.517 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -102.6 | -58.9 | 166.7 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | S282 V283 T284 | S280-S282 PolarHBondContact O-N 3.25Å; S280-V283 PolarHBondContact O-N 2.93Å; S280-T284 PolarHBondContact O-N 3.12Å; S280-T284 PolarHBondContact O-OG1 2.97Å |
| 281 | Y | 67.6 | Low | 68.4 | Low | 176 Ų | 176 | 87.1 Ų | 87.1 | 69% | 0.69 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -60.8 | -41 | -167.8 | -62.9 | -75.4 | 0 | 0 | 0 | 116.2 | F285 M341 | Y281-F285 VanDerWaalsContact O-CB 3.27Å; Y281-F285 WeakPolarHBondContact O-CB 3.36Å; Y281-F285 PolarHBondContact O-N 3.48Å; Y281-M341 HydrophobicContact CG-CE 4.41Å |
| 282 | S | 67.6 | Low | 69.1 | Low | 16 Ų | 16 | 78.4 Ų | 78.4 | 11% | 0.112 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -70.5 | -34.7 | -177.5 | -174.8 | 0 | 0 | 0 | 0 | 113 | R273 S280 L286 | R273-S282 PolarHBondContact NH2-OG 3.32Å; S280-S282 PolarHBondContact O-N 3.25Å; S282-L286 WeakPolarHBondContact O-CG 3.16Å; S282-L286 PolarHBondContact O-N 3.36Å; S282-L286 VanDerWaalsContact O-N 3.15Å |
| 283 | V | 70.9 | Confident | 70.2 | Confident | 68 Ų | 68 | 73.7 Ų | 73.7 | 41% | 0.412 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -75.8 | -42.8 | 176.9 | 173.2 | 0 | 0 | 0 | 0 | 109.5 | V279 S280 F285 L286 F287 | V279-V283 HydrophobicContact CG1-CG2 3.76Å; S280-V283 PolarHBondContact O-N 2.93Å; V283-F285 VanDerWaalsContact C-N 3.27Å; V283-F285 PolarHBondContact O-N 3.19Å; V283-L286 PolarHBondContact O-N 3.24Å; V283-F287 WeakPolarHBondContact O-CB 3.34Å; V283-F287 PolarHBondContact O-N 3.09Å |
| 284 | T | 74 | Confident | 71.6 | Confident | 72 Ų | 72 | 74 Ų | 74 | 44% | 0.442 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -56.1 | -43.6 | 172.2 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | S280 F287 V288 | S280-T284 PolarHBondContact O-N 3.12Å; S280-T284 PolarHBondContact O-OG1 2.97Å; T284-F287 WeakPolarHBondContact O-CB 3.47Å; T284-F287 PolarHBondContact O-N 2.97Å; T284-V288 WeakPolarHBondContact O-CG2 3.45Å; T284-V288 PolarHBondContact O-N 3.23Å |
| 285 | F | 74.7 | Confident | 73.4 | Confident | 39 Ų | 39 | 69.3 Ų | 69.3 | 17% | 0.171 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 179.4 | -167.4 | -79.8 | 0 | 0 | 0 | 112.8 | Y281 V283 F287 V288 C289 L334 L338 | Y281-F285 VanDerWaalsContact O-CB 3.27Å; Y281-F285 WeakPolarHBondContact O-CB 3.36Å; Y281-F285 PolarHBondContact O-N 3.48Å; V283-F285 VanDerWaalsContact C-N 3.27Å; V283-F285 PolarHBondContact O-N 3.19Å; F285-F287 VanDerWaalsContact C-N 3.29Å; F285-F287 PolarHBondContact O-N 3.13Å; F285-V288 WeakPolarHBondContact O-CB 3.45Å; F285-V288 PolarHBondContact O-N 3.32Å; F285-C289 VanDerWaalsContact CD1-SG 3.6Å; F285-C289 WeakPolarHBondContact CE1-SG 3.38Å; F285-C289 PolarHBondContact O-N 3.23Å; F285-C289 PolarHBondContact O-SG 3.1Å; F285-L334 HydrophobicContact CE2-CD2 4.44Å; F285-L334 HydrophobicContact CZ-CB 4.4Å; F285-L334 HydrophobicContact CZ-CD2 4.05Å; F285-L334 WeakPolarHBondContact CZ-O 3.4Å; F285-L338 HydrophobicContact CD1-CB 4.41Å; F285-L338 HydrophobicContact CD1-CD1 3.05Å; F285-L338 HydrophobicContact CD1-CG 4.22Å; F285-L338 HydrophobicContact CE1-CB 3.59Å; F285-L338 HydrophobicContact CE1-CD1 3.11Å; F285-L338 HydrophobicContact CE1-CD2 4.43Å; F285-L338 HydrophobicContact CE1-CG 3.81Å; F285-L338 HydrophobicContact CG-CD1 4.01Å; F285-L338 HydrophobicContact CZ-CB 3.92Å; F285-L338 HydrophobicContact CZ-CD1 4.12Å |
| 286 | L | 78.2 | Confident | 75.3 | Confident | 15 Ų | 15 | 63 Ų | 63 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 174.1 | -77.3 | 164.4 | 0 | 0 | 0 | 111.5 | L265 N269 S282 V283 V288 C289 V290 | L265-L286 HydrophobicContact CD2-CD2 4.17Å; L265-L286 HydrophobicContact CG-CD2 4.42Å; N269-L286 HydrophobicContact CB-CD1 4.21Å; S282-L286 WeakPolarHBondContact O-CG 3.16Å; S282-L286 PolarHBondContact O-N 3.36Å; S282-L286 VanDerWaalsContact O-N 3.15Å; V283-L286 PolarHBondContact O-N 3.24Å; L286-V288 VanDerWaalsContact C-N 3.35Å; L286-C289 WeakPolarHBondContact O-CB 3.1Å; L286-C289 PolarHBondContact O-N 3.35Å; L286-V290 WeakPolarHBondContact O-CG2 3.11Å; L286-V290 PolarHBondContact O-N 3Å |
| 287 | F | 82 | Confident | 77 | Confident | 140 Ų | 140 | 58.9 Ų | 58.9 | 61% | 0.614 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.8 | -41 | 173.2 | -176.3 | -95.3 | 0 | 0 | 0 | 112 | V283 T284 F285 V290 T291 | V283-F287 WeakPolarHBondContact O-CB 3.34Å; V283-F287 PolarHBondContact O-N 3.09Å; T284-F287 WeakPolarHBondContact O-CB 3.47Å; T284-F287 PolarHBondContact O-N 2.97Å; F285-F287 VanDerWaalsContact C-N 3.29Å; F285-F287 PolarHBondContact O-N 3.13Å; F287-V290 PolarHBondContact O-N 3.37Å; F287-T291 WeakPolarHBondContact O-CB 3.35Å; F287-T291 PolarHBondContact O-N 2.98Å; F287-T291 PolarHBondContact O-OG1 3.26Å |
| 288 | V | 84.9 | Confident | 78.8 | Confident | 59 Ų | 59 | 53.6 Ų | 53.6 | 36% | 0.358 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 172.1 | 170.9 | 0 | 0 | 0 | 0 | 110.1 | T284 F285 L286 V290 T291 T292 L334 | T284-V288 WeakPolarHBondContact O-CG2 3.45Å; T284-V288 PolarHBondContact O-N 3.23Å; F285-V288 WeakPolarHBondContact O-CB 3.45Å; F285-V288 PolarHBondContact O-N 3.32Å; L286-V288 VanDerWaalsContact C-N 3.35Å; V288-V290 PolarHBondContact O-N 3.18Å; V288-T291 PolarHBondContact O-N 3.25Å; V288-T292 WeakPolarHBondContact O-CB 3.32Å; V288-T292 PolarHBondContact O-N 3.07Å; V288-T292 PolarHBondContact O-OG1 3.44Å; V288-L334 HydrophobicContact CG1-CD2 3.91Å |
| 289 | C | 83.9 | Confident | 80.7 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58 | -47.6 | 177.8 | -67.9 | 0 | 0 | 0 | 0 | 112.4 | F285 L286 T292 N293 | F285-C289 VanDerWaalsContact CD1-SG 3.6Å; F285-C289 WeakPolarHBondContact CE1-SG 3.38Å; F285-C289 PolarHBondContact O-N 3.23Å; F285-C289 PolarHBondContact O-SG 3.1Å; L286-C289 WeakPolarHBondContact O-CB 3.1Å; L286-C289 PolarHBondContact O-N 3.35Å; C289-T292 PolarHBondContact O-N 3.5Å; C289-N293 PolarHBondContact O-N 3.06Å; C289-N293 PolarHBondContact O-ND2 3.06Å |
| 290 | V | 86.6 | Confident | 82.5 | Confident | 37 Ų | 37 | 49 Ų | 49 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.7 | -49.2 | 177.4 | 165.7 | 0 | 0 | 0 | 0 | 110.5 | L259 L262 L286 F287 V288 T292 N293 V294 | L259-V290 HydrophobicContact CD1-CB 4.45Å; L259-V290 HydrophobicContact CD1-CG1 3.9Å; L259-V290 HydrophobicContact CD1-CG2 4.49Å; L262-V290 HydrophobicContact CB-CG2 4.24Å; L286-V290 WeakPolarHBondContact O-CG2 3.11Å; L286-V290 PolarHBondContact O-N 3Å; F287-V290 PolarHBondContact O-N 3.37Å; V288-V290 PolarHBondContact O-N 3.18Å; V290-T292 PolarHBondContact O-N 3.35Å; V290-N293 PolarHBondContact O-N 2.96Å; V290-V294 WeakPolarHBondContact O-CG2 3.24Å; V290-V294 PolarHBondContact O-N 3.3Å |
| 291 | T | 87.2 | Confident | 83.7 | Confident | 57 Ų | 57 | 45.7 Ų | 45.7 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.6 | -44.3 | -180 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | F287 V288 N293 V294 V295 | F287-T291 WeakPolarHBondContact O-CB 3.35Å; F287-T291 PolarHBondContact O-N 2.98Å; F287-T291 PolarHBondContact O-OG1 3.26Å; V288-T291 PolarHBondContact O-N 3.25Å; T291-N293 PolarHBondContact O-N 3.47Å; T291-V294 PolarHBondContact O-N 2.88Å; T291-V295 HydrophobicContact CG2-CG2 4.31Å; T291-V295 VanDerWaalsContact O-CG2 3.32Å; T291-V295 WeakPolarHBondContact O-CG2 3.37Å; T291-V295 PolarHBondContact O-N 2.93Å |
| 292 | T | 88.8 | Confident | 84.9 | Confident | 23 Ų | 23 | 40.4 Ų | 40.4 | 14% | 0.141 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.2 | -42 | 176.9 | -59.7 | 0 | 0 | 0 | 0 | 112 | V288 C289 V290 V294 V295 L296 V330 L334 | V288-T292 WeakPolarHBondContact O-CB 3.32Å; V288-T292 PolarHBondContact O-N 3.07Å; V288-T292 PolarHBondContact O-OG1 3.44Å; C289-T292 PolarHBondContact O-N 3.5Å; V290-T292 PolarHBondContact O-N 3.35Å; T292-V294 VanDerWaalsContact C-N 3.35Å; T292-V294 PolarHBondContact O-N 3.04Å; T292-V295 PolarHBondContact O-N 2.84Å; T292-L296 HydrophobicContact CG2-CB 4.48Å; T292-L296 HydrophobicContact CG2-CD1 3.55Å; T292-L296 HydrophobicContact CG2-CG 4.05Å; T292-L296 VanDerWaalsContact O-CB 3.3Å; T292-L296 WeakPolarHBondContact O-CB 3.39Å; T292-L296 PolarHBondContact O-N 2.89Å; T292-V330 HydrophobicContact CG2-CG1 3.58Å; T292-L334 HydrophobicContact CG2-CD1 3.7Å |
| 293 | N | 88.5 | Confident | 86 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.1 | -41.2 | 176.2 | -84.2 | -88.5 | 0 | 0 | 0 | 111.8 | L259 L262 C289 V290 T291 A297 I298 Y327 | L259-N293 HydrophobicContact CD1-CB 4.43Å; L262-N293 HydrophobicContact CD1-CB 4.46Å; L262-N293 WeakPolarHBondContact CD1-ND2 3.5Å; C289-N293 PolarHBondContact O-N 3.06Å; C289-N293 PolarHBondContact O-ND2 3.06Å; V290-N293 PolarHBondContact O-N 2.96Å; T291-N293 PolarHBondContact O-N 3.47Å; N293-A297 WeakPolarHBondContact O-CA 3.48Å; N293-A297 WeakPolarHBondContact O-CB 3.39Å; N293-A297 PolarHBondContact O-N 2.73Å; N293-A297 VanDerWaalsContact O-N 3.09Å; N293-I298 PolarHBondContact O-N 3.2Å; N293-I298 VanDerWaalsContact O-N 3.11Å; N293-Y327 PolarHBondContact OD1-OH 2.84Å |
| 294 | V | 90 | Very high | 86.7 | Confident | 61 Ų | 61 | 39.1 Ų | 39.1 | 37% | 0.37 | 21% | 0.213 | S | C | . | . | I | π-helix | trans | -63.7 | -47.8 | 176.5 | 173.1 | 0 | 0 | 0 | 0 | 111 | L259 V290 T291 T292 I298 L299 | L259-V294 HydrophobicContact CD1-CG2 4.03Å; L259-V294 HydrophobicContact CD2-CG2 4.19Å; V290-V294 WeakPolarHBondContact O-CG2 3.24Å; V290-V294 PolarHBondContact O-N 3.3Å; T291-V294 PolarHBondContact O-N 2.88Å; T292-V294 VanDerWaalsContact C-N 3.35Å; T292-V294 PolarHBondContact O-N 3.04Å; V294-I298 HydrophobicContact CG2-CD1 4.47Å; V294-L299 WeakPolarHBondContact O-CB 3.31Å; V294-L299 PolarHBondContact O-N 3.34Å |
| 295 | V | 90.8 | Very high | 87.5 | Confident | 60 Ų | 60 | 36.7 Ų | 36.7 | 36% | 0.364 | 20% | 0.198 | S | C | . | . | I | π-helix | trans | -75.8 | -42.1 | -173.7 | 175.5 | 0 | 0 | 0 | 0 | 112.7 | T291 T292 P300 | T291-V295 HydrophobicContact CG2-CG2 4.31Å; T291-V295 VanDerWaalsContact O-CG2 3.32Å; T291-V295 WeakPolarHBondContact O-CG2 3.37Å; T291-V295 PolarHBondContact O-N 2.93Å; T292-V295 PolarHBondContact O-N 2.84Å; V295-P300 VanDerWaalsContact O-CD 3.28Å; V295-P300 WeakPolarHBondContact O-CD 3.25Å |
| 296 | L | 90.6 | Very high | 88.2 | Confident | 22 Ų | 22 | 38.5 Ų | 38.5 | 12% | 0.115 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -97.6 | -15.2 | -171.6 | -60.7 | -173.5 | 0 | 0 | 0 | 114.3 | T292 F323 Y327 V330 | T292-L296 HydrophobicContact CG2-CB 4.48Å; T292-L296 HydrophobicContact CG2-CD1 3.55Å; T292-L296 HydrophobicContact CG2-CG 4.05Å; T292-L296 VanDerWaalsContact O-CB 3.3Å; T292-L296 WeakPolarHBondContact O-CB 3.39Å; T292-L296 PolarHBondContact O-N 2.89Å; L296-F323 HydrophobicContact CD2-CB 3.94Å; L296-F323 HydrophobicContact CD2-CD1 4.12Å; L296-F323 HydrophobicContact CD2-CG 4.07Å; L296-Y327 HydrophobicContact CB-CD2 3.61Å; L296-Y327 HydrophobicContact CB-CG 4.07Å; L296-Y327 HydrophobicContact CD1-CD2 4.45Å; L296-V330 HydrophobicContact CD1-CB 3.9Å; L296-V330 HydrophobicContact CD1-CG1 3.96Å; L296-V330 HydrophobicContact CD1-CG2 3.88Å |
| 297 | A | 88.8 | Confident | 88.7 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -116.8 | -65.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D255 N293 P300 D301 Y327 | D255-A297 HydrophobicContact CB-CB 4.2Å; D255-A297 VanDerWaalsContact OD2-CB 3.28Å; D255-A297 WeakPolarHBondContact OD2-CB 3.45Å; N293-A297 WeakPolarHBondContact O-CA 3.48Å; N293-A297 WeakPolarHBondContact O-CB 3.39Å; N293-A297 PolarHBondContact O-N 2.73Å; N293-A297 VanDerWaalsContact O-N 3.09Å; A297-P300 WeakPolarHBondContact O-CD 3.48Å; A297-D301 WeakPolarHBondContact O-CB 3.49Å; A297-D301 PolarHBondContact O-N 3.39Å; A297-D301 VanDerWaalsContact O-N 3.14Å; A297-Y327 HydrophobicContact CB-CD1 3.87Å; A297-Y327 HydrophobicContact CB-CD2 4.18Å; A297-Y327 HydrophobicContact CB-CE1 3.47Å; A297-Y327 VanDerWaalsContact CB-CE1 3.47Å; A297-Y327 HydrophobicContact CB-CE2 3.83Å; A297-Y327 HydrophobicContact CB-CG 4.21Å; A297-Y327 VanDerWaalsContact CB-CZ 3.48Å |
| 298 | I | 91.3 | Very high | 88.8 | Confident | 19 Ų | 19 | 35.8 Ų | 35.8 | 10% | 0.097 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -67.5 | -47.4 | -172.6 | -64.7 | 173.5 | 0 | 0 | 0 | 111.8 | L252 D255 L259 N293 V294 D301 I302 | L252-I298 HydrophobicContact CD1-CG2 4.2Å; D255-I298 HydrophobicContact CB-CG1 3.96Å; L259-I298 HydrophobicContact CB-CD1 4.01Å; L259-I298 HydrophobicContact CD2-CD1 3.49Å; L259-I298 VanDerWaalsContact CD2-CD1 3.49Å; L259-I298 HydrophobicContact CG-CD1 4.24Å; N293-I298 PolarHBondContact O-N 3.2Å; N293-I298 VanDerWaalsContact O-N 3.11Å; V294-I298 HydrophobicContact CG2-CD1 4.47Å; I298-D301 PolarHBondContact O-N 3.26Å; I298-I302 HydrophobicContact CG2-CD1 3.58Å; I298-I302 HydrophobicContact CG2-CG1 4.13Å; I298-I302 WeakPolarHBondContact O-CB 3.13Å; I298-I302 VanDerWaalsContact O-CG1 3.3Å; I298-I302 WeakPolarHBondContact O-CG1 3.12Å; I298-I302 PolarHBondContact O-N 3.48Å |
| 299 | L | 91.1 | Very high | 88.9 | Confident | 79 Ų | 79 | 38 Ų | 38 | 41% | 0.414 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.1 | -47.4 | -178.2 | 178 | 68.1 | 0 | 0 | 0 | 111.8 | V294 D301 I302 I303 | V294-L299 WeakPolarHBondContact O-CB 3.31Å; V294-L299 PolarHBondContact O-N 3.34Å; L299-D301 VanDerWaalsContact C-N 3.35Å; L299-D301 PolarHBondContact O-N 2.96Å; L299-I302 PolarHBondContact O-N 2.82Å; L299-I303 HydrophobicContact CD1-CD1 4.19Å; L299-I303 HydrophobicContact CG-CD1 4.04Å; L299-I303 VanDerWaalsContact O-CG1 3.29Å; L299-I303 WeakPolarHBondContact O-CG1 3.14Å; L299-I303 PolarHBondContact O-N 2.74Å |
| 300 | P | 91 | Very high | 89.1 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.4 | -43.8 | 171.8 | -32.3 | 38.9 | 0 | 0 | 0 | 114.6 | V295 A297 I303 N304 S320 F323 R324 | V295-P300 VanDerWaalsContact O-CD 3.28Å; V295-P300 WeakPolarHBondContact O-CD 3.25Å; A297-P300 WeakPolarHBondContact O-CD 3.48Å; P300-I303 PolarHBondContact O-N 3.22Å; P300-N304 WeakPolarHBondContact O-CB 3.36Å; P300-N304 VanDerWaalsContact O-CG 3.25Å; P300-N304 PolarHBondContact O-N 2.82Å; P300-N304 PolarHBondContact O-ND2 2.85Å; P300-S320 WeakPolarHBondContact CA-OG 3.45Å; P300-S320 WeakPolarHBondContact CB-O 3.39Å; P300-S320 WeakPolarHBondContact CB-OG 3.38Å; P300-S320 PolarHBondContact O-OG 3.18Å; P300-S320 VanDerWaalsContact O-OG 3.06Å; P300-F323 HydrophobicContact CG-CB 3.72Å; P300-R324 HydrophobicContact CB-CB 4.02Å |
| 301 | D | 89.7 | Confident | 89.1 | Confident | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.1 | -40.4 | -179.4 | -78.6 | 2.6 | 0 | 0 | 0 | 111.9 | Y251 L252 D255 A297 I298 L299 N304 V305 R324 | Y251-D301 VanDerWaalsContact C-OD2 3.23Å; Y251-D301 WeakPolarHBondContact CB-OD2 3.41Å; L252-D301 HydrophobicContact CB-CB 4.24Å; L252-D301 HydrophobicContact CD1-CB 4.11Å; L252-D301 PolarHBondContact N-OD2 2.86Å; D255-D301 VanDerWaalsContact OD2-OD2 3.05Å; A297-D301 WeakPolarHBondContact O-CB 3.49Å; A297-D301 PolarHBondContact O-N 3.39Å; A297-D301 VanDerWaalsContact O-N 3.14Å; I298-D301 PolarHBondContact O-N 3.26Å; L299-D301 VanDerWaalsContact C-N 3.35Å; L299-D301 PolarHBondContact O-N 2.96Å; D301-N304 PolarHBondContact O-N 3.39Å; D301-V305 WeakPolarHBondContact O-CG2 3.3Å; D301-V305 PolarHBondContact O-N 3.24Å; D301-R324 IonicContact OD1-CZ 2.76Å; D301-R324 IonicContact OD1-NE 3.1Å; D301-R324 PolarHBondContact OD1-NE 3.42Å; D301-R324 VanDerWaalsContact OD1-NE 3.14Å; D301-R324 IonicContact OD1-NH2 3.81Å; D301-R324 PolarHBondContact OD1-NH2 3.43Å; D301-R324 IonicContact OD2-CZ 3.64Å; D301-R324 IonicContact OD2-NE 2.73Å; D301-R324 IonicContact OD2-NH2 3.34Å; D301-R324 PolarHBondContact OD2-NH2 2.99Å |
| 302 | I | 91.7 | Very high | 89.2 | Confident | 66 Ų | 66 | 44.7 Ų | 44.7 | 34% | 0.338 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 172.1 | -70.5 | 172.4 | 0 | 0 | 0 | 110.4 | L252 I298 L299 N304 V305 I306 | L252-I302 HydrophobicContact CD1-CG1 3.74Å; L252-I302 HydrophobicContact CD2-CG1 4.49Å; I298-I302 HydrophobicContact CG2-CD1 3.58Å; I298-I302 HydrophobicContact CG2-CG1 4.13Å; I298-I302 WeakPolarHBondContact O-CB 3.13Å; I298-I302 VanDerWaalsContact O-CG1 3.3Å; I298-I302 WeakPolarHBondContact O-CG1 3.12Å; I298-I302 PolarHBondContact O-N 3.48Å; L299-I302 PolarHBondContact O-N 2.82Å; I302-N304 VanDerWaalsContact C-N 3.26Å; I302-N304 PolarHBondContact O-N 3.31Å; I302-V305 PolarHBondContact O-N 3.16Å; I302-I306 HydrophobicContact CG2-CD1 3.49Å; I302-I306 VanDerWaalsContact CG2-CD1 3.49Å; I302-I306 HydrophobicContact CG2-CG1 4.13Å; I302-I306 WeakPolarHBondContact O-CB 3.41Å; I302-I306 VanDerWaalsContact O-CG1 3.24Å; I302-I306 WeakPolarHBondContact O-CG1 3.34Å; I302-I306 PolarHBondContact O-N 2.86Å |
| 303 | I | 90.8 | Very high | 89.2 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 9% | 0.092 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 178.1 | -68.2 | 164.2 | 0 | 0 | 0 | 110.5 | L299 P300 I306 R307 V312 L316 | L299-I303 HydrophobicContact CD1-CD1 4.19Å; L299-I303 HydrophobicContact CG-CD1 4.04Å; L299-I303 VanDerWaalsContact O-CG1 3.29Å; L299-I303 WeakPolarHBondContact O-CG1 3.14Å; L299-I303 PolarHBondContact O-N 2.74Å; P300-I303 PolarHBondContact O-N 3.22Å; I303-I306 PolarHBondContact O-N 3.28Å; I303-R307 VanDerWaalsContact O-CB 3.3Å; I303-R307 WeakPolarHBondContact O-CB 3.16Å; I303-R307 PolarHBondContact O-N 3.5Å; I303-V312 HydrophobicContact CG2-CG1 4.21Å; I303-L316 HydrophobicContact CD1-CD1 3.89Å; I303-L316 HydrophobicContact CD1-CD2 4.4Å; I303-L316 HydrophobicContact CD1-CG 4.03Å; I303-L316 HydrophobicContact CG1-CD2 4.49Å; I303-L316 HydrophobicContact CG2-CG 4.22Å |
| 304 | N | 86.7 | Confident | 89.1 | Confident | 38 Ų | 38 | 56.7 Ų | 56.7 | 20% | 0.203 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 178.4 | -76.2 | -30.7 | 0 | 0 | 0 | 112.6 | P300 D301 I302 | P300-N304 WeakPolarHBondContact O-CB 3.36Å; P300-N304 VanDerWaalsContact O-CG 3.25Å; P300-N304 PolarHBondContact O-N 2.82Å; P300-N304 PolarHBondContact O-ND2 2.85Å; D301-N304 PolarHBondContact O-N 3.39Å; I302-N304 VanDerWaalsContact C-N 3.26Å; I302-N304 PolarHBondContact O-N 3.31Å |
| 305 | V | 89.3 | Confident | 88.9 | Confident | 22 Ų | 22 | 56.1 Ų | 56.1 | 13% | 0.133 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.4 | -44.9 | 174.5 | 173.4 | 0 | 0 | 0 | 0 | 111 | F245 L249 L252 D301 I302 R307 L308 | F245-V305 HydrophobicContact CE2-CG1 4.36Å; L249-V305 HydrophobicContact CD2-CG1 4.28Å; L249-V305 HydrophobicContact CD2-CG2 4.46Å; L252-V305 HydrophobicContact CD2-CG2 4.49Å; D301-V305 WeakPolarHBondContact O-CG2 3.3Å; D301-V305 PolarHBondContact O-N 3.24Å; I302-V305 PolarHBondContact O-N 3.16Å; V305-R307 VanDerWaalsContact C-N 3.29Å; V305-R307 PolarHBondContact O-N 3.45Å; V305-L308 WeakPolarHBondContact O-CB 3.42Å; V305-L308 PolarHBondContact O-N 3.41Å |
| 306 | I | 90.3 | Very high | 88.8 | Confident | 76 Ų | 76 | 56.7 Ų | 56.7 | 39% | 0.39 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59 | -42.6 | 178.1 | -71.9 | 174.2 | 0 | 0 | 0 | 110.6 | I302 I303 L308 V309 T310 V312 | I302-I306 HydrophobicContact CG2-CD1 3.49Å; I302-I306 VanDerWaalsContact CG2-CD1 3.49Å; I302-I306 HydrophobicContact CG2-CG1 4.13Å; I302-I306 WeakPolarHBondContact O-CB 3.41Å; I302-I306 VanDerWaalsContact O-CG1 3.24Å; I302-I306 WeakPolarHBondContact O-CG1 3.34Å; I302-I306 PolarHBondContact O-N 2.86Å; I303-I306 PolarHBondContact O-N 3.28Å; I306-L308 PolarHBondContact O-N 2.88Å; I306-V309 PolarHBondContact O-N 3.14Å; I306-T310 WeakPolarHBondContact CG2-OG1 3.45Å; I306-T310 PolarHBondContact O-N 2.82Å; I306-T310 PolarHBondContact O-OG1 3.38Å; I306-V312 HydrophobicContact CG2-CG2 3.94Å |
| 307 | R | 88 | Confident | 88.5 | Confident | 84 Ų | 84 | 57.5 Ų | 57.5 | 32% | 0.317 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -25.2 | 176.8 | 176.3 | 178.7 | 175 | -129.9 | -4.6 | 113.7 | I303 V305 V309 T310 V312 Q317 | I303-R307 VanDerWaalsContact O-CB 3.3Å; I303-R307 WeakPolarHBondContact O-CB 3.16Å; I303-R307 PolarHBondContact O-N 3.5Å; V305-R307 VanDerWaalsContact C-N 3.29Å; V305-R307 PolarHBondContact O-N 3.45Å; R307-V309 VanDerWaalsContact C-N 3.31Å; R307-T310 CarbonylContact C-O 3.59Å; R307-T310 WeakPolarHBondContact CA-O 3.45Å; R307-V312 HydrophobicContact CB-CB 4.34Å; R307-V312 HydrophobicContact CB-CG2 4.01Å; R307-Q317 VanDerWaalsContact NE-OE1 3.12Å |
| 308 | L | 84.9 | Confident | 88.4 | Confident | 15 Ų | 15 | 66.5 Ų | 66.5 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -17.5 | 178.3 | -61.9 | 172.6 | 0 | 0 | 0 | 112.9 | Q237 Y241 T244 F245 V305 I306 | Q237-L308 HydrophobicContact CG-CD2 3.95Å; Y241-L308 HydrophobicContact CE2-CB 4.08Å; Y241-L308 HydrophobicContact CE2-CD2 4.23Å; Y241-L308 WeakPolarHBondContact CE2-O 3.45Å; Y241-L308 PolarHBondContact OH-O 3.25Å; T244-L308 HydrophobicContact CG2-CD1 4.29Å; T244-L308 HydrophobicContact CG2-CD2 3.94Å; F245-L308 VanDerWaalsContact CA-CD1 3.5Å; F245-L308 HydrophobicContact CB-CD1 3.96Å; F245-L308 HydrophobicContact CD2-CB 4.41Å; F245-L308 HydrophobicContact CD2-CD1 3.91Å; F245-L308 HydrophobicContact CG-CD1 4.43Å; V305-L308 WeakPolarHBondContact O-CB 3.42Å; V305-L308 PolarHBondContact O-N 3.41Å; I306-L308 PolarHBondContact O-N 2.88Å |
| 309 | V | 86.9 | Confident | 88.2 | Confident | 105 Ų | 105 | 69.6 Ų | 69.6 | 64% | 0.636 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | -35.4 | -176.7 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | I306 R307 | I306-V309 PolarHBondContact O-N 3.14Å; R307-V309 VanDerWaalsContact C-N 3.31Å |
| 310 | T | 88.7 | Confident | 88 | Confident | 67 Ų | 67 | 65.9 Ų | 65.9 | 41% | 0.411 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -131 | 151.7 | -177.6 | 62.3 | 0 | 0 | 0 | 0 | 111.9 | I306 R307 V312 | I306-T310 WeakPolarHBondContact CG2-OG1 3.45Å; I306-T310 PolarHBondContact O-N 2.82Å; I306-T310 PolarHBondContact O-OG1 3.38Å; R307-T310 CarbonylContact C-O 3.59Å; R307-T310 WeakPolarHBondContact CA-O 3.45Å; T310-V312 PolarHBondContact O-N 2.96Å |
| 311 | P | 86.7 | Confident | 87.6 | Confident | 136 Ų | 136 | 69.5 Ų | 69.5 | 88% | 0.883 | 37% | 0.366 | S | S | * | . | trans | -65.7 | 126 | 174.2 | 27.2 | -33.6 | 0 | 0 | 0 | 110.1 | ||||
| 312 | V | 88.2 | Confident | 87.4 | Confident | 37 Ų | 37 | 72.1 Ų | 72.1 | 22% | 0.224 | 38% | 0.384 | C | S | . | . | trans | -113.1 | 143.8 | 176.9 | 175.4 | 0 | 0 | 0 | 0 | 109.1 | I303 I306 R307 T310 R314 L316 | I303-V312 HydrophobicContact CG2-CG1 4.21Å; I306-V312 HydrophobicContact CG2-CG2 3.94Å; R307-V312 HydrophobicContact CB-CB 4.34Å; R307-V312 HydrophobicContact CB-CG2 4.01Å; T310-V312 PolarHBondContact O-N 2.96Å; V312-R314 PolarHBondContact O-N 3.47Å; V312-L316 HydrophobicContact CG1-CB 4.05Å; V312-L316 HydrophobicContact CG1-CD2 3.92Å; V312-L316 HydrophobicContact CG1-CG 4.21Å | ||
| 313 | S | 90.1 | Very high | 87.2 | Confident | 78 Ų | 78 | 71.9 Ų | 71.9 | 55% | 0.545 | 38% | 0.381 | S | S | . | . | trans | -60.1 | 138 | 178.3 | 70.9 | 0 | 0 | 0 | 0 | 111.2 | G315 L316 Q317 | S313-G315 PolarHBondContact O-N 3.03Å; S313-L316 PolarHBondContact O-N 2.92Å; S313-L316 VanDerWaalsContact O-N 3.11Å; S313-L316 VanDerWaalsContact OG-CB 3.26Å; S313-L316 WeakPolarHBondContact OG-CB 3.31Å; S313-L316 PolarHBondContact OG-N 3.27Å; S313-Q317 PolarHBondContact O-N 3.46Å; S313-Q317 VanDerWaalsContact O-N 3.11Å | ||
| 314 | R | 85.7 | Confident | 86.9 | Confident | 202 Ų | 202 | 72.1 Ų | 72.1 | 76% | 0.762 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -56.9 | -34.8 | -179.9 | -68.4 | -178.1 | -177.8 | 171.1 | -0.1 | 112 | V312 R318 | V312-R314 PolarHBondContact O-N 3.47Å; R314-R318 WeakPolarHBondContact O-CG 3.47Å; R314-R318 PolarHBondContact O-N 2.97Å |
| 315 | G | 86.1 | Confident | 86.6 | Confident | 49 Ų | 49 | 74.7 Ų | 74.7 | 51% | 0.505 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.2 | -48.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S313 Q317 R318 L319 | S313-G315 PolarHBondContact O-N 3.03Å; G315-Q317 VanDerWaalsContact C-N 3.31Å; G315-Q317 PolarHBondContact O-N 3.31Å; G315-R318 PolarHBondContact O-N 2.98Å; G315-L319 PolarHBondContact O-N 2.92Å |
| 316 | L | 88 | Confident | 86.2 | Confident | 72 Ų | 72 | 77.4 Ų | 77.4 | 38% | 0.377 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.8 | -36.7 | 179.6 | -174 | 60.9 | 0 | 0 | 0 | 111.9 | I303 V312 S313 L319 S320 | I303-L316 HydrophobicContact CD1-CD1 3.89Å; I303-L316 HydrophobicContact CD1-CD2 4.4Å; I303-L316 HydrophobicContact CD1-CG 4.03Å; I303-L316 HydrophobicContact CG1-CD2 4.49Å; I303-L316 HydrophobicContact CG2-CG 4.22Å; V312-L316 HydrophobicContact CG1-CB 4.05Å; V312-L316 HydrophobicContact CG1-CD2 3.92Å; V312-L316 HydrophobicContact CG1-CG 4.21Å; S313-L316 PolarHBondContact O-N 2.92Å; S313-L316 VanDerWaalsContact O-N 3.11Å; S313-L316 VanDerWaalsContact OG-CB 3.26Å; S313-L316 WeakPolarHBondContact OG-CB 3.31Å; S313-L316 PolarHBondContact OG-N 3.27Å; L316-L319 PolarHBondContact O-N 2.01Å; L316-S320 WeakPolarHBondContact O-CB 3.44Å; L316-S320 PolarHBondContact O-N 2.96Å |
| 317 | Q | 84.8 | Confident | 85.9 | Confident | 40 Ų | 40 | 73.8 Ų | 73.8 | 19% | 0.187 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64 | -44.9 | 174.7 | -173.6 | -165 | -23.7 | 0 | 0 | 112.2 | R307 S313 G315 L319 S320 N321 | R307-Q317 VanDerWaalsContact NE-OE1 3.12Å; S313-Q317 PolarHBondContact O-N 3.46Å; S313-Q317 VanDerWaalsContact O-N 3.11Å; G315-Q317 VanDerWaalsContact C-N 3.31Å; G315-Q317 PolarHBondContact O-N 3.31Å; Q317-L319 VanDerWaalsContact C-N 3.32Å; Q317-L319 PolarHBondContact O-N 3.24Å; Q317-S320 PolarHBondContact O-N 2.83Å; Q317-N321 WeakPolarHBondContact O-CB 3.33Å; Q317-N321 PolarHBondContact O-N 2.79Å |
| 318 | R | 85.7 | Confident | 85.5 | Confident | 189 Ų | 189 | 71.2 Ų | 71.2 | 71% | 0.713 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.8 | -41.6 | 177 | -74.3 | 177.6 | -178.7 | 176 | 0.2 | 111.2 | R314 G315 N321 S322 | R314-R318 WeakPolarHBondContact O-CG 3.47Å; R314-R318 PolarHBondContact O-N 2.97Å; G315-R318 PolarHBondContact O-N 2.98Å; R318-N321 PolarHBondContact O-N 3.3Å; R318-S322 WeakPolarHBondContact O-CB 3.39Å; R318-S322 PolarHBondContact O-N 3.15Å |
| 319 | L | 86.9 | Confident | 85.1 | Confident | 84 Ų | 84 | 73.7 Ų | 73.7 | 44% | 0.44 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 176.6 | -173.9 | 67.8 | 0 | 0 | 0 | 111.7 | G315 L316 Q317 N321 S322 F323 | G315-L319 PolarHBondContact O-N 2.92Å; L316-L319 PolarHBondContact O-N 2.01Å; Q317-L319 VanDerWaalsContact C-N 3.32Å; Q317-L319 PolarHBondContact O-N 3.24Å; L319-N321 PolarHBondContact O-N 2.98Å; L319-S322 WeakPolarHBondContact O-CB 3.49Å; L319-S322 PolarHBondContact O-N 3.46Å; L319-S322 VanDerWaalsContact O-N 3.15Å; L319-F323 HydrophobicContact CD1-CE1 3.83Å; L319-F323 HydrophobicContact CD1-CE2 4.1Å; L319-F323 HydrophobicContact CD1-CZ 3.59Å; L319-F323 HydrophobicContact CD2-CE2 4.04Å; L319-F323 HydrophobicContact CD2-CZ 4.14Å; L319-F323 HydrophobicContact CG-CD2 4.3Å; L319-F323 HydrophobicContact CG-CE1 4.35Å; L319-F323 HydrophobicContact CG-CE2 3.75Å; L319-F323 HydrophobicContact CG-CZ 3.78Å; L319-F323 PolarHBondContact O-N 3Å |
| 320 | S | 87.3 | Confident | 84.9 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.007 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -54.6 | -50.3 | 175.2 | 166.7 | 0 | 0 | 0 | 0 | 111.8 | P300 L316 Q317 S322 F323 R324 | P300-S320 WeakPolarHBondContact CA-OG 3.45Å; P300-S320 WeakPolarHBondContact CB-O 3.39Å; P300-S320 WeakPolarHBondContact CB-OG 3.38Å; P300-S320 PolarHBondContact O-OG 3.18Å; P300-S320 VanDerWaalsContact O-OG 3.06Å; L316-S320 WeakPolarHBondContact O-CB 3.44Å; L316-S320 PolarHBondContact O-N 2.96Å; Q317-S320 PolarHBondContact O-N 2.83Å; S320-S322 VanDerWaalsContact C-N 3.29Å; S320-S322 PolarHBondContact O-N 3.22Å; S320-F323 PolarHBondContact O-N 2.62Å; S320-R324 PolarHBondContact O-N 2.97Å |
| 321 | N | 83.8 | Confident | 84.4 | Confident | 76 Ų | 76 | 67.6 Ų | 67.6 | 41% | 0.406 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.9 | -37.3 | 178.1 | -74.1 | -18.3 | 0 | 0 | 0 | 112.5 | Q317 R318 L319 S325 | Q317-N321 WeakPolarHBondContact O-CB 3.33Å; Q317-N321 PolarHBondContact O-N 2.79Å; R318-N321 PolarHBondContact O-N 3.3Å; L319-N321 PolarHBondContact O-N 2.98Å; N321-S325 WeakPolarHBondContact O-CB 3.23Å; N321-S325 PolarHBondContact O-N 3.24Å |
| 322 | S | 85 | Confident | 83.6 | Confident | 60 Ų | 60 | 62.6 Ų | 62.6 | 42% | 0.42 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.8 | -48.8 | 175.7 | -172.4 | 0 | 0 | 0 | 0 | 111.5 | R318 L319 S320 R324 S325 I326 | R318-S322 WeakPolarHBondContact O-CB 3.39Å; R318-S322 PolarHBondContact O-N 3.15Å; L319-S322 WeakPolarHBondContact O-CB 3.49Å; L319-S322 PolarHBondContact O-N 3.46Å; L319-S322 VanDerWaalsContact O-N 3.15Å; S320-S322 VanDerWaalsContact C-N 3.29Å; S320-S322 PolarHBondContact O-N 3.22Å; S322-R324 PolarHBondContact O-N 3.44Å; S322-S325 WeakPolarHBondContact O-CB 3.47Å; S322-S325 PolarHBondContact O-N 3.07Å; S322-I326 WeakPolarHBondContact O-CG1 3.41Å; S322-I326 PolarHBondContact O-N 3.11Å; S322-I326 VanDerWaalsContact O-N 3.13Å |
| 323 | F | 87.6 | Confident | 82.9 | Confident | 60 Ų | 60 | 68 Ų | 68 | 26% | 0.263 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.2 | -45 | 177.3 | -69.6 | -18 | 0 | 0 | 0 | 112.4 | L296 P300 L319 S320 S325 I326 Y327 | L296-F323 HydrophobicContact CD2-CB 3.94Å; L296-F323 HydrophobicContact CD2-CD1 4.12Å; L296-F323 HydrophobicContact CD2-CG 4.07Å; P300-F323 HydrophobicContact CG-CB 3.72Å; L319-F323 HydrophobicContact CD1-CE1 3.83Å; L319-F323 HydrophobicContact CD1-CE2 4.1Å; L319-F323 HydrophobicContact CD1-CZ 3.59Å; L319-F323 HydrophobicContact CD2-CE2 4.04Å; L319-F323 HydrophobicContact CD2-CZ 4.14Å; L319-F323 HydrophobicContact CG-CD2 4.3Å; L319-F323 HydrophobicContact CG-CE1 4.35Å; L319-F323 HydrophobicContact CG-CE2 3.75Å; L319-F323 HydrophobicContact CG-CZ 3.78Å; L319-F323 PolarHBondContact O-N 3Å; S320-F323 PolarHBondContact O-N 2.62Å; F323-S325 VanDerWaalsContact C-N 3.28Å; F323-S325 PolarHBondContact O-N 3.4Å; F323-I326 PolarHBondContact O-N 3.48Å; F323-Y327 PolarHBondContact O-N 3.32Å |
| 324 | R | 84 | Confident | 82.3 | Confident | 24 Ų | 24 | 65.5 Ų | 65.5 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63 | -35.2 | 177.4 | -168.3 | 57.1 | 158.6 | 167.9 | -8.2 | 112.3 | D255 P300 D301 S320 S322 I326 Y327 P328 | D255-R324 IonicContact OD1-NH1 2.87Å; D255-R324 IonicContact OD1-NH2 3.25Å; D255-R324 IonicContact OD2-CZ 3.45Å; D255-R324 IonicContact OD2-NH1 3.49Å; D255-R324 PolarHBondContact OD2-NH1 2.9Å; D255-R324 IonicContact OD2-NH2 2.75Å; D255-R324 PolarHBondContact OD2-NH2 3.5Å; P300-R324 HydrophobicContact CB-CB 4.02Å; D301-R324 IonicContact OD1-CZ 2.76Å; D301-R324 IonicContact OD1-NE 3.1Å; D301-R324 PolarHBondContact OD1-NE 3.42Å; D301-R324 VanDerWaalsContact OD1-NE 3.14Å; D301-R324 IonicContact OD1-NH2 3.81Å; D301-R324 PolarHBondContact OD1-NH2 3.43Å; D301-R324 IonicContact OD2-CZ 3.64Å; D301-R324 IonicContact OD2-NE 2.73Å; D301-R324 IonicContact OD2-NH2 3.34Å; D301-R324 PolarHBondContact OD2-NH2 2.99Å; S320-R324 PolarHBondContact O-N 2.97Å; S322-R324 PolarHBondContact O-N 3.44Å; R324-I326 VanDerWaalsContact C-N 3.34Å; R324-Y327 VanDerWaalsContact NH1-CD1 3.3Å; R324-P328 WeakPolarHBondContact O-CD 3.49Å |
| 325 | S | 79.5 | Confident | 81.5 | Confident | 91 Ų | 91 | 57 Ų | 57 | 64% | 0.636 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -68.6 | -31.5 | 177 | -171.3 | 0 | 0 | 0 | 0 | 113.2 | N321 S322 F323 | N321-S325 WeakPolarHBondContact O-CB 3.23Å; N321-S325 PolarHBondContact O-N 3.24Å; S322-S325 WeakPolarHBondContact O-CB 3.47Å; S322-S325 PolarHBondContact O-N 3.07Å; F323-S325 VanDerWaalsContact C-N 3.28Å; F323-S325 PolarHBondContact O-N 3.4Å |
| 326 | I | 81.8 | Confident | 80.5 | Confident | 79 Ų | 79 | 58 Ų | 58 | 41% | 0.405 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -84.7 | -24.3 | -178.8 | -66.6 | 164.7 | 0 | 0 | 0 | 111.3 | S322 F323 R324 C329 V330 | S322-I326 WeakPolarHBondContact O-CG1 3.41Å; S322-I326 PolarHBondContact O-N 3.11Å; S322-I326 VanDerWaalsContact O-N 3.13Å; F323-I326 PolarHBondContact O-N 3.48Å; R324-I326 VanDerWaalsContact C-N 3.34Å; I326-C329 WeakPolarHBondContact O-CB 3.23Å; I326-C329 PolarHBondContact O-N 2.9Å; I326-C329 VanDerWaalsContact O-N 3.12Å; I326-V330 HydrophobicContact CG2-CG2 3.54Å; I326-V330 PolarHBondContact O-N 3.29Å; I326-V330 VanDerWaalsContact O-N 3.1Å |
| 327 | Y | 84.6 | Confident | 79.2 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.2 | -43.3 | -174.8 | 179.3 | -125.7 | 0 | 0 | 0 | 114.8 | F169 N293 L296 A297 F323 R324 C329 V330 T331 | F169-Y327 HydrophobicContact CD1-CD1 4.47Å; F169-Y327 AromaticContact CE1-CD1 3.48Å; F169-Y327 HydrophobicContact CE1-CD1 3.48Å; F169-Y327 VanDerWaalsContact CE1-CD1 3.48Å; F169-Y327 AromaticContact CE1-CE1 3.46Å; F169-Y327 HydrophobicContact CE1-CE1 3.46Å; F169-Y327 VanDerWaalsContact CE1-CE1 3.46Å; F169-Y327 HydrophobicContact CE1-CG 4.45Å; F169-Y327 HydrophobicContact CZ-CD1 4.13Å; F169-Y327 HydrophobicContact CZ-CE1 4.07Å; N293-Y327 PolarHBondContact OD1-OH 2.84Å; L296-Y327 HydrophobicContact CB-CD2 3.61Å; L296-Y327 HydrophobicContact CB-CG 4.07Å; L296-Y327 HydrophobicContact CD1-CD2 4.45Å; A297-Y327 HydrophobicContact CB-CD1 3.87Å; A297-Y327 HydrophobicContact CB-CD2 4.18Å; A297-Y327 HydrophobicContact CB-CE1 3.47Å; A297-Y327 VanDerWaalsContact CB-CE1 3.47Å; A297-Y327 HydrophobicContact CB-CE2 3.83Å; A297-Y327 HydrophobicContact CB-CG 4.21Å; A297-Y327 VanDerWaalsContact CB-CZ 3.48Å; F323-Y327 PolarHBondContact O-N 3.32Å; R324-Y327 VanDerWaalsContact NH1-CD1 3.3Å; Y327-C329 PolarHBondContact O-N 3.2Å; Y327-V330 PolarHBondContact O-N 3.46Å; Y327-T331 WeakPolarHBondContact CD2-OG1 3.3Å; Y327-T331 WeakPolarHBondContact CE2-OG1 2.76Å; Y327-T331 VanDerWaalsContact O-CB 3.28Å; Y327-T331 WeakPolarHBondContact O-CB 3.02Å; Y327-T331 PolarHBondContact O-N 3.03Å; Y327-T331 PolarHBondContact O-OG1 3.25Å |
| 328 | P | 79.4 | Confident | 78.1 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 19% | 0.188 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.4 | -45.9 | 175.7 | -26 | 35.6 | 0 | 0 | 0 | 113.7 | F169 R324 T331 V332 | F169-P328 HydrophobicContact CD1-CB 4.48Å; F169-P328 HydrophobicContact CD1-CG 3.97Å; F169-P328 HydrophobicContact CD2-CB 3.78Å; F169-P328 HydrophobicContact CD2-CG 4.1Å; F169-P328 HydrophobicContact CE1-CB 4.28Å; F169-P328 HydrophobicContact CE1-CG 3.94Å; F169-P328 VanDerWaalsContact CE2-CA 3.46Å; F169-P328 HydrophobicContact CE2-CB 3.55Å; F169-P328 HydrophobicContact CE2-CG 4.08Å; F169-P328 HydrophobicContact CG-CB 4.26Å; F169-P328 HydrophobicContact CG-CG 4.06Å; F169-P328 HydrophobicContact CZ-CB 3.85Å; F169-P328 HydrophobicContact CZ-CG 4.02Å; R324-P328 WeakPolarHBondContact O-CD 3.49Å; P328-T331 PolarHBondContact O-N 3.41Å; P328-V332 VanDerWaalsContact O-CG2 3.29Å; P328-V332 WeakPolarHBondContact O-CG2 3.36Å; P328-V332 PolarHBondContact O-N 2.96Å; P328-V332 VanDerWaalsContact O-N 3.07Å |
| 329 | C | 76.6 | Confident | 76.8 | Confident | 67 Ų | 67 | 46.6 Ų | 46.6 | 45% | 0.453 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.3 | -50.1 | 179 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | I326 Y327 T331 V332 F333 | I326-C329 WeakPolarHBondContact O-CB 3.23Å; I326-C329 PolarHBondContact O-N 2.9Å; I326-C329 VanDerWaalsContact O-N 3.12Å; Y327-C329 PolarHBondContact O-N 3.2Å; C329-T331 VanDerWaalsContact C-N 3.31Å; C329-T331 PolarHBondContact O-N 2.87Å; C329-V332 PolarHBondContact O-N 3.47Å; C329-F333 WeakPolarHBondContact O-CD2 3.32Å; C329-F333 PolarHBondContact O-N 3.46Å |
| 330 | V | 82 | Confident | 75.3 | Confident | 40 Ų | 40 | 46.3 Ų | 46.3 | 24% | 0.242 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.5 | -39.1 | -179.3 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | T292 L296 I326 Y327 V332 F333 L334 | T292-V330 HydrophobicContact CG2-CG1 3.58Å; L296-V330 HydrophobicContact CD1-CB 3.9Å; L296-V330 HydrophobicContact CD1-CG1 3.96Å; L296-V330 HydrophobicContact CD1-CG2 3.88Å; I326-V330 HydrophobicContact CG2-CG2 3.54Å; I326-V330 PolarHBondContact O-N 3.29Å; I326-V330 VanDerWaalsContact O-N 3.1Å; Y327-V330 PolarHBondContact O-N 3.46Å; V330-V332 PolarHBondContact O-N 3.36Å; V330-F333 PolarHBondContact O-N 3.14Å; V330-L334 HydrophobicContact CG1-CD1 3.99Å; V330-L334 HydrophobicContact CG1-CG 4.2Å; V330-L334 WeakPolarHBondContact O-CB 3.15Å; V330-L334 WeakPolarHBondContact O-CG 3.5Å; V330-L334 PolarHBondContact O-N 3.03Å |
| 331 | T | 77.7 | Confident | 73.6 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.2 | -47 | 176.8 | -62 | 0 | 0 | 0 | 0 | 110.8 | F169 Y327 P328 C329 F333 L334 Y335 | F169-T331 HydrophobicContact CZ-CG2 4.1Å; Y327-T331 WeakPolarHBondContact CD2-OG1 3.3Å; Y327-T331 WeakPolarHBondContact CE2-OG1 2.76Å; Y327-T331 VanDerWaalsContact O-CB 3.28Å; Y327-T331 WeakPolarHBondContact O-CB 3.02Å; Y327-T331 PolarHBondContact O-N 3.03Å; Y327-T331 PolarHBondContact O-OG1 3.25Å; P328-T331 PolarHBondContact O-N 3.41Å; C329-T331 VanDerWaalsContact C-N 3.31Å; C329-T331 PolarHBondContact O-N 2.87Å; T331-F333 PolarHBondContact O-N 2.91Å; T331-L334 PolarHBondContact O-N 3.16Å; T331-Y335 HydrophobicContact CG2-CD2 3.58Å; T331-Y335 HydrophobicContact CG2-CE2 3.67Å; T331-Y335 VanDerWaalsContact O-CD2 3.26Å; T331-Y335 WeakPolarHBondContact O-CD2 3.45Å; T331-Y335 PolarHBondContact O-N 3.49Å |
| 332 | V | 71.3 | Confident | 72 | Confident | 31 Ų | 31 | 47.5 Ų | 47.5 | 19% | 0.188 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59 | -48 | 175.9 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | L113 A116 P328 C329 V330 L334 Y335 L336 | L113-V332 HydrophobicContact CD1-CG1 4.07Å; A116-V332 HydrophobicContact CB-CG2 3.2Å; P328-V332 VanDerWaalsContact O-CG2 3.29Å; P328-V332 WeakPolarHBondContact O-CG2 3.36Å; P328-V332 PolarHBondContact O-N 2.96Å; P328-V332 VanDerWaalsContact O-N 3.07Å; C329-V332 PolarHBondContact O-N 3.47Å; V330-V332 PolarHBondContact O-N 3.36Å; V332-L334 VanDerWaalsContact C-N 3.33Å; V332-L334 PolarHBondContact O-N 2.95Å; V332-Y335 PolarHBondContact O-N 3.14Å; V332-L336 HydrophobicContact CG1-CD1 3.67Å; V332-L336 HydrophobicContact CG1-CG 4.18Å; V332-L336 WeakPolarHBondContact O-CB 3.26Å; V332-L336 VanDerWaalsContact O-CG 3.26Å; V332-L336 WeakPolarHBondContact O-CG 3.41Å; V332-L336 PolarHBondContact O-N 3.06Å |
| 333 | F | 73.4 | Confident | 70.4 | Confident | 151 Ų | 151 | 47.2 Ų | 47.2 | 66% | 0.662 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -59.1 | -43.1 | 177.9 | -81.3 | -69.1 | 0 | 0 | 0 | 112.4 | C329 V330 T331 G337 | C329-F333 WeakPolarHBondContact O-CD2 3.32Å; C329-F333 PolarHBondContact O-N 3.46Å; V330-F333 PolarHBondContact O-N 3.14Å; T331-F333 PolarHBondContact O-N 2.91Å; F333-G337 PolarHBondContact O-N 3.43Å |
| 334 | L | 76.2 | Confident | 68.6 | Low | 24 Ų | 24 | 48.4 Ų | 48.4 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.5 | -46.6 | 177 | -71.4 | 176.2 | 0 | 0 | 0 | 111.3 | F285 V288 T292 V330 T331 V332 L336 G337 L338 | F285-L334 HydrophobicContact CE2-CD2 4.44Å; F285-L334 HydrophobicContact CZ-CB 4.4Å; F285-L334 HydrophobicContact CZ-CD2 4.05Å; F285-L334 WeakPolarHBondContact CZ-O 3.4Å; V288-L334 HydrophobicContact CG1-CD2 3.91Å; T292-L334 HydrophobicContact CG2-CD1 3.7Å; V330-L334 HydrophobicContact CG1-CD1 3.99Å; V330-L334 HydrophobicContact CG1-CG 4.2Å; V330-L334 WeakPolarHBondContact O-CB 3.15Å; V330-L334 WeakPolarHBondContact O-CG 3.5Å; V330-L334 PolarHBondContact O-N 3.03Å; T331-L334 PolarHBondContact O-N 3.16Å; V332-L334 VanDerWaalsContact C-N 3.33Å; V332-L334 PolarHBondContact O-N 2.95Å; L334-L336 PolarHBondContact O-N 2.92Å; L334-G337 PolarHBondContact O-N 2.98Å; L334-L338 VanDerWaalsContact O-CB 3.26Å; L334-L338 WeakPolarHBondContact O-CB 3.34Å; L334-L338 PolarHBondContact O-N 3.12Å |
| 335 | Y | 70.3 | Confident | 67 | Low | 25 Ų | 25 | 48.8 Ų | 48.8 | 10% | 0.098 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.1 | -32.4 | -179.7 | -83.4 | -78.5 | 0 | 0 | 0 | 113.4 | L176 P177 T331 V332 L338 | L176-Y335 HydrophobicContact CB-CD1 4.15Å; L176-Y335 HydrophobicContact CB-CE1 3.64Å; L176-Y335 HydrophobicContact CB-CE2 4.12Å; L176-Y335 HydrophobicContact CD1-CD1 4.31Å; L176-Y335 HydrophobicContact CD1-CD2 3.69Å; L176-Y335 HydrophobicContact CD1-CE1 4.42Å; L176-Y335 HydrophobicContact CD1-CE2 3.8Å; L176-Y335 HydrophobicContact CD1-CG 3.96Å; P177-Y335 VanDerWaalsContact CD-OH 3.29Å; P177-Y335 WeakPolarHBondContact CD-OH 3.36Å; T331-Y335 HydrophobicContact CG2-CD2 3.58Å; T331-Y335 HydrophobicContact CG2-CE2 3.67Å; T331-Y335 VanDerWaalsContact O-CD2 3.26Å; T331-Y335 WeakPolarHBondContact O-CD2 3.45Å; T331-Y335 PolarHBondContact O-N 3.49Å; V332-Y335 PolarHBondContact O-N 3.14Å; Y335-L338 HydrophobicContact CD1-CD2 4.39Å |
| 336 | L | 65 | Low | 65.6 | Low | 69 Ų | 69 | 45.9 Ų | 45.9 | 36% | 0.361 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.4 | -46.5 | 171.3 | -71.5 | 174 | 0 | 0 | 0 | 111.4 | L113 V332 L334 L338 S339 P340 | L113-L336 HydrophobicContact CD1-CD1 4.27Å; V332-L336 HydrophobicContact CG1-CD1 3.67Å; V332-L336 HydrophobicContact CG1-CG 4.18Å; V332-L336 WeakPolarHBondContact O-CB 3.26Å; V332-L336 VanDerWaalsContact O-CG 3.26Å; V332-L336 WeakPolarHBondContact O-CG 3.41Å; V332-L336 PolarHBondContact O-N 3.06Å; L334-L336 PolarHBondContact O-N 2.92Å; L336-L338 PolarHBondContact O-N 3.19Å; L336-S339 WeakPolarHBondContact O-CB 3.2Å; L336-S339 PolarHBondContact O-N 2.87Å; L336-S339 VanDerWaalsContact O-N 3.1Å; L336-P340 WeakPolarHBondContact O-CD 3.12Å |
| 337 | G | 61.2 | Low | 64 | Low | 37 Ų | 37 | 46.9 Ų | 46.9 | 38% | 0.381 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.4 | -25.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F333 L334 S339 P340 | F333-G337 PolarHBondContact O-N 3.43Å; L334-G337 PolarHBondContact O-N 2.98Å; G337-S339 VanDerWaalsContact C-N 3.32Å; G337-P340 VanDerWaalsContact O-CD 3.3Å; G337-P340 WeakPolarHBondContact O-CD 3.34Å |
| 338 | L | 61.2 | Low | 62.3 | Low | 10 Ų | 10 | 51.5 Ų | 51.5 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.3 | -26.1 | 175.4 | -166.4 | 71.3 | 0 | 0 | 0 | 112.2 | F285 L334 Y335 L336 L342 | F285-L338 HydrophobicContact CD1-CB 4.41Å; F285-L338 HydrophobicContact CD1-CD1 3.05Å; F285-L338 HydrophobicContact CD1-CG 4.22Å; F285-L338 HydrophobicContact CE1-CB 3.59Å; F285-L338 HydrophobicContact CE1-CD1 3.11Å; F285-L338 HydrophobicContact CE1-CD2 4.43Å; F285-L338 HydrophobicContact CE1-CG 3.81Å; F285-L338 HydrophobicContact CG-CD1 4.01Å; F285-L338 HydrophobicContact CZ-CB 3.92Å; F285-L338 HydrophobicContact CZ-CD1 4.12Å; L334-L338 VanDerWaalsContact O-CB 3.26Å; L334-L338 WeakPolarHBondContact O-CB 3.34Å; L334-L338 PolarHBondContact O-N 3.12Å; Y335-L338 HydrophobicContact CD1-CD2 4.39Å; L336-L338 PolarHBondContact O-N 3.19Å; L338-L342 HydrophobicContact CD1-CD1 3.98Å; L338-L342 HydrophobicContact CD1-CG 4Å; L338-L342 HydrophobicContact CD2-CD1 3.48Å; L338-L342 VanDerWaalsContact CD2-CD1 3.48Å; L338-L342 HydrophobicContact CD2-CG 4.38Å; L338-L342 HydrophobicContact CG-CD1 3.38Å; L338-L342 HydrophobicContact CG-CG 3.79Å; L338-L342 VanDerWaalsContact O-CB 3.28Å; L338-L342 WeakPolarHBondContact O-CB 3.48Å; L338-L342 PolarHBondContact O-N 3.37Å |
| 339 | S | 58.9 | Low | 60.7 | Low | 14 Ų | 14 | 53.6 Ų | 53.6 | 10% | 0.098 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.9 | -56.9 | -176.2 | -178.6 | 0 | 0 | 0 | 0 | 114.3 | Q109 L336 G337 M341 L342 N343 | Q109-S339 VanDerWaalsContact CD-OG 3.28Å; Q109-S339 PolarHBondContact NE2-OG 3.32Å; Q109-S339 PolarHBondContact OE1-OG 3.47Å; Q109-S339 VanDerWaalsContact OE1-OG 3.06Å; L336-S339 WeakPolarHBondContact O-CB 3.2Å; L336-S339 PolarHBondContact O-N 2.87Å; L336-S339 VanDerWaalsContact O-N 3.1Å; G337-S339 VanDerWaalsContact C-N 3.32Å; S339-M341 PolarHBondContact O-N 2.8Å; S339-L342 PolarHBondContact O-N 2.81Å; S339-N343 VanDerWaalsContact O-CB 3.31Å; S339-N343 WeakPolarHBondContact O-CB 3.31Å; S339-N343 PolarHBondContact O-N 3.11Å; S339-N343 PolarHBondContact O-ND2 3.08Å |
| 340 | P | 53.9 | Low | 59.4 | Low | 79 Ų | 79 | 52.1 Ų | 52.1 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.4 | -38.5 | -173.5 | -12.3 | 29.6 | 0 | 0 | 0 | 110.8 | L336 G337 N343 T344 | L336-P340 WeakPolarHBondContact O-CD 3.12Å; G337-P340 VanDerWaalsContact O-CD 3.3Å; G337-P340 WeakPolarHBondContact O-CD 3.34Å; P340-N343 PolarHBondContact O-N 3.19Å; P340-T344 PolarHBondContact O-N 3.01Å; P340-T344 PolarHBondContact O-OG1 2.91Å |
| 341 | M | 51.8 | Low | 57.7 | Low | 93 Ų | 93 | 53.5 Ų | 53.5 | 46% | 0.458 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.8 | -40.8 | 179.4 | -80.3 | -130.4 | 170.3 | 0 | 0 | 112.6 | Y281 S339 V345 | Y281-M341 HydrophobicContact CG-CE 4.41Å; S339-M341 PolarHBondContact O-N 2.8Å; M341-V345 VanDerWaalsContact O-CG2 3.26Å; M341-V345 WeakPolarHBondContact O-CG2 3.36Å; M341-V345 PolarHBondContact O-N 3.5Å |
| 342 | L | 51.5 | Low | 56 | Low | 9 Ų | 9 | 58.4 Ų | 58.4 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.5 | -41.9 | 173.4 | -81.1 | 179.4 | 0 | 0 | 0 | 111.2 | L338 S339 T344 V345 F346 | L338-L342 HydrophobicContact CD1-CD1 3.98Å; L338-L342 HydrophobicContact CD1-CG 4Å; L338-L342 HydrophobicContact CD2-CD1 3.48Å; L338-L342 VanDerWaalsContact CD2-CD1 3.48Å; L338-L342 HydrophobicContact CD2-CG 4.38Å; L338-L342 HydrophobicContact CG-CD1 3.38Å; L338-L342 HydrophobicContact CG-CG 3.79Å; L338-L342 VanDerWaalsContact O-CB 3.28Å; L338-L342 WeakPolarHBondContact O-CB 3.48Å; L338-L342 PolarHBondContact O-N 3.37Å; S339-L342 PolarHBondContact O-N 2.81Å; L342-T344 VanDerWaalsContact C-N 3.29Å; L342-T344 PolarHBondContact O-N 3.18Å; L342-V345 CarbonylContact O-C 3.55Å; L342-V345 WeakPolarHBondContact O-CA 3.34Å; L342-V345 VanDerWaalsContact O-CB 3.29Å; L342-V345 WeakPolarHBondContact O-CB 3.48Å; L342-V345 PolarHBondContact O-N 3.49Å; L342-F346 HydrophobicContact CB-CD2 3.99Å; L342-F346 HydrophobicContact CB-CE2 4.05Å; L342-F346 HydrophobicContact CD1-CE2 4.47Å; L342-F346 HydrophobicContact CD2-CE2 4.12Å; L342-F346 HydrophobicContact CG-CE2 4.47Å; L342-F346 WeakPolarHBondContact O-CB 3.39Å; L342-F346 WeakPolarHBondContact O-CD2 3.5Å; L342-F346 PolarHBondContact O-N 2.84Å |
| 343 | N | 51.1 | Low | 54.6 | Low | 54 Ų | 54 | 63.2 Ų | 63.2 | 29% | 0.289 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.7 | -40.2 | 177.5 | -73.3 | -11.5 | 0 | 0 | 0 | 111.7 | S339 P340 V345 F346 D347 | S339-N343 VanDerWaalsContact O-CB 3.31Å; S339-N343 WeakPolarHBondContact O-CB 3.31Å; S339-N343 PolarHBondContact O-N 3.11Å; S339-N343 PolarHBondContact O-ND2 3.08Å; P340-N343 PolarHBondContact O-N 3.19Å; N343-V345 VanDerWaalsContact C-N 3.28Å; N343-V345 PolarHBondContact O-N 3.32Å; N343-F346 PolarHBondContact O-N 3.36Å; N343-D347 WeakPolarHBondContact O-CB 3.26Å; N343-D347 PolarHBondContact O-N 3.33Å |
| 344 | T | 50.2 | Low | 53 | Low | 85 Ų | 85 | 59.4 Ų | 59.4 | 52% | 0.521 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.6 | -33.1 | 176.5 | -36.5 | 0 | 0 | 0 | 0 | 112.2 | P340 L342 N348 | P340-T344 PolarHBondContact O-N 3.01Å; P340-T344 PolarHBondContact O-OG1 2.91Å; L342-T344 VanDerWaalsContact C-N 3.29Å; L342-T344 PolarHBondContact O-N 3.18Å; T344-N348 PolarHBondContact O-N 3.26Å; T344-N348 PolarHBondContact O-ND2 2.99Å |
| 345 | V | 48.8 | Very low | 51.2 | Low | 31 Ų | 31 | 67.5 Ų | 67.5 | 19% | 0.188 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -70.1 | -43.2 | 173.9 | 156.8 | 0 | 0 | 0 | 0 | 111.2 | R273 M341 L342 N343 N348 F349 | R273-V345 VanDerWaalsContact CZ-CG1 3.44Å; M341-V345 VanDerWaalsContact O-CG2 3.26Å; M341-V345 WeakPolarHBondContact O-CG2 3.36Å; M341-V345 PolarHBondContact O-N 3.5Å; L342-V345 CarbonylContact O-C 3.55Å; L342-V345 WeakPolarHBondContact O-CA 3.34Å; L342-V345 VanDerWaalsContact O-CB 3.29Å; L342-V345 WeakPolarHBondContact O-CB 3.48Å; L342-V345 PolarHBondContact O-N 3.49Å; N343-V345 VanDerWaalsContact C-N 3.28Å; N343-V345 PolarHBondContact O-N 3.32Å; V345-N348 PolarHBondContact O-N 3.45Å; V345-F349 PolarHBondContact O-N 2.96Å; V345-F349 VanDerWaalsContact O-N 3.11Å |
| 346 | F | 50.2 | Low | 49.7 | Very low | 31 Ų | 31 | 71 Ų | 71 | 14% | 0.136 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -71.9 | -38.9 | -178.3 | -83.3 | -69 | 0 | 0 | 0 | 111.5 | L183 F184 L342 N343 N348 F349 T350 | L183-F346 HydrophobicContact CD2-CE1 4.44Å; L183-F346 HydrophobicContact CD2-CZ 4.02Å; F184-F346 AromaticContact CD1-CE1 3.99Å; F184-F346 HydrophobicContact CD1-CE1 3.99Å; F184-F346 HydrophobicContact CD1-CZ 4.19Å; F184-F346 HydrophobicContact CD2-CZ 4.24Å; F184-F346 HydrophobicContact CE1-CD1 4.31Å; F184-F346 AromaticContact CE1-CE1 3.25Å; F184-F346 HydrophobicContact CE1-CE1 3.25Å; F184-F346 HydrophobicContact CE1-CE2 4.49Å; F184-F346 AromaticContact CE1-CZ 3.39Å; F184-F346 HydrophobicContact CE1-CZ 3.39Å; F184-F346 HydrophobicContact CE2-CE1 4.17Å; F184-F346 HydrophobicContact CE2-CE2 4.22Å; F184-F346 AromaticContact CE2-CZ 3.42Å; F184-F346 HydrophobicContact CE2-CZ 3.42Å; F184-F346 VanDerWaalsContact CE2-CZ 3.42Å; F184-F346 HydrophobicContact CZ-CD1 4.49Å; F184-F346 AromaticContact CZ-CE1 3.38Å; F184-F346 HydrophobicContact CZ-CE1 3.38Å; F184-F346 AromaticContact CZ-CE2 3.78Å; F184-F346 HydrophobicContact CZ-CE2 3.78Å; F184-F346 AromaticContact CZ-CZ 2.94Å; F184-F346 HydrophobicContact CZ-CZ 2.94Å; L342-F346 HydrophobicContact CB-CD2 3.99Å; L342-F346 HydrophobicContact CB-CE2 4.05Å; L342-F346 HydrophobicContact CD1-CE2 4.47Å; L342-F346 HydrophobicContact CD2-CE2 4.12Å; L342-F346 HydrophobicContact CG-CE2 4.47Å; L342-F346 WeakPolarHBondContact O-CB 3.39Å; L342-F346 WeakPolarHBondContact O-CD2 3.5Å; L342-F346 PolarHBondContact O-N 2.84Å; N343-F346 PolarHBondContact O-N 3.36Å; F346-N348 VanDerWaalsContact C-N 3.28Å; F346-N348 PolarHBondContact O-N 3.44Å; F346-F349 CarbonylContact O-C 3.08Å; F346-F349 WeakPolarHBondContact O-CA 3.48Å; F346-F349 VanDerWaalsContact O-CB 3.3Å; F346-F349 WeakPolarHBondContact O-CB 3.49Å; F346-F349 PolarHBondContact O-N 3.31Å; F346-T350 PolarHBondContact O-N 2.88Å; F346-T350 PolarHBondContact O-OG1 3.44Å; F346-T350 VanDerWaalsContact O-OG1 3.1Å |
| 347 | D | 49.9 | Very low | 48.6 | Very low | 100 Ų | 100 | 71.9 Ų | 71.9 | 54% | 0.535 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.1 | -39.6 | 172.7 | -80.2 | -15.3 | 0 | 0 | 0 | 111.4 | N343 F349 T350 T351 | N343-D347 WeakPolarHBondContact O-CB 3.26Å; N343-D347 PolarHBondContact O-N 3.33Å; D347-F349 VanDerWaalsContact C-N 3.26Å; D347-F349 PolarHBondContact O-N 2.9Å; D347-T350 PolarHBondContact O-OG1 2.98Å; D347-T351 WeakPolarHBondContact O-CB 3.34Å; D347-T351 VanDerWaalsContact O-CG2 3.26Å; D347-T351 WeakPolarHBondContact O-CG2 3.26Å; D347-T351 PolarHBondContact O-N 3.29Å; D347-T351 VanDerWaalsContact O-N 3.12Å; D347-T351 PolarHBondContact O-OG1 3.01Å |
| 348 | N | 48.8 | Very low | 47.6 | Very low | 97 Ų | 97 | 73.3 Ų | 73.3 | 52% | 0.519 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.6 | -25.7 | 172.8 | -82.7 | -53.6 | 0 | 0 | 0 | 113.1 | T344 V345 F346 T351 K352 | T344-N348 PolarHBondContact O-N 3.26Å; T344-N348 PolarHBondContact O-ND2 2.99Å; V345-N348 PolarHBondContact O-N 3.45Å; F346-N348 VanDerWaalsContact C-N 3.28Å; F346-N348 PolarHBondContact O-N 3.44Å; N348-T351 WeakPolarHBondContact CA-OG1 3.38Å; N348-T351 PolarHBondContact O-OG1 3.11Å; N348-K352 WeakPolarHBondContact O-CB 3.29Å; N348-K352 WeakPolarHBondContact O-CG 3.45Å; N348-K352 PolarHBondContact O-N 2.88Å |
| 349 | F | 45.7 | Very low | 46.6 | Very low | 73 Ų | 73 | 82.5 Ų | 82.5 | 32% | 0.32 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -79.6 | -48.8 | 178.3 | -178.1 | -108.8 | 0 | 0 | 0 | 111.7 | H272 V345 F346 D347 T351 K352 F353 | H272-F349 AromaticContact CE1-CD2 3.65Å; H272-F349 AromaticContact CE1-CE2 3.17Å; H272-F349 WeakPolarHBondContact CE1-CE2 3.31Å; H272-F349 AromaticContact NE2-CE2 3.17Å; H272-F349 WeakPolarHBondContact NE2-CE2 3.38Å; H272-F349 AromaticContact NE2-CZ 3.79Å; V345-F349 PolarHBondContact O-N 2.96Å; V345-F349 VanDerWaalsContact O-N 3.11Å; F346-F349 CarbonylContact O-C 3.08Å; F346-F349 WeakPolarHBondContact O-CA 3.48Å; F346-F349 VanDerWaalsContact O-CB 3.3Å; F346-F349 WeakPolarHBondContact O-CB 3.49Å; F346-F349 PolarHBondContact O-N 3.31Å; D347-F349 VanDerWaalsContact C-N 3.26Å; D347-F349 PolarHBondContact O-N 2.9Å; F349-T351 PolarHBondContact O-N 3.43Å; F349-K352 PolarHBondContact O-N 3.21Å; F349-F353 HydrophobicContact CD2-CD2 4.29Å; F349-F353 HydrophobicContact CE1-CD2 4.23Å; F349-F353 AromaticContact CE2-CD2 3.5Å; F349-F353 HydrophobicContact CE2-CD2 3.5Å; F349-F353 AromaticContact CE2-CE2 3.63Å; F349-F353 HydrophobicContact CE2-CE2 3.63Å; F349-F353 AromaticContact CZ-CD2 3.5Å; F349-F353 HydrophobicContact CZ-CD2 3.5Å; F349-F353 AromaticContact CZ-CE2 3.56Å; F349-F353 HydrophobicContact CZ-CE2 3.56Å; F349-F353 HydrophobicContact CZ-CG 4.47Å; F349-F353 PolarHBondContact O-N 3.36Å |
| 350 | T | 47.5 | Very low | 45.8 | Very low | 36 Ų | 36 | 84.3 Ų | 84.3 | 22% | 0.221 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 178.5 | 51.3 | 0 | 0 | 0 | 0 | 111.6 | F346 D347 K352 F353 C354 | F346-T350 PolarHBondContact O-N 2.88Å; F346-T350 PolarHBondContact O-OG1 3.44Å; F346-T350 VanDerWaalsContact O-OG1 3.1Å; D347-T350 PolarHBondContact O-OG1 2.98Å; T350-K352 PolarHBondContact O-N 2.87Å; T350-F353 PolarHBondContact O-N 3.2Å; T350-C354 WeakPolarHBondContact O-CB 3.47Å; T350-C354 PolarHBondContact O-N 3.3Å |
| 351 | T | 46.6 | Very low | 45.2 | Very low | 69 Ų | 69 | 90.2 Ų | 90.2 | 42% | 0.423 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.2 | -35 | 175.7 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | D347 N348 F349 R355 | D347-T351 WeakPolarHBondContact O-CB 3.34Å; D347-T351 VanDerWaalsContact O-CG2 3.26Å; D347-T351 WeakPolarHBondContact O-CG2 3.26Å; D347-T351 PolarHBondContact O-N 3.29Å; D347-T351 VanDerWaalsContact O-N 3.12Å; D347-T351 PolarHBondContact O-OG1 3.01Å; N348-T351 WeakPolarHBondContact CA-OG1 3.38Å; N348-T351 PolarHBondContact O-OG1 3.11Å; F349-T351 PolarHBondContact O-N 3.43Å; T351-R355 WeakPolarHBondContact O-CG 3.03Å; T351-R355 PolarHBondContact O-N 2.84Å |
| 352 | K | 41.8 | Very low | 44.8 | Very low | 108 Ų | 108 | 95.1 Ų | 95.1 | 47% | 0.47 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -75.7 | -39.2 | 175.5 | -79.6 | -176 | -179.6 | -177.6 | 0 | 112.7 | N276 N348 F349 T350 R355 C356 | N276-K352 PolarHBondContact ND2-NZ 2.97Å; N348-K352 WeakPolarHBondContact O-CB 3.29Å; N348-K352 WeakPolarHBondContact O-CG 3.45Å; N348-K352 PolarHBondContact O-N 2.88Å; F349-K352 PolarHBondContact O-N 3.21Å; T350-K352 PolarHBondContact O-N 2.87Å; K352-R355 PolarHBondContact O-N 2.93Å; K352-C356 PolarHBondContact O-N 2.95Å |
| 353 | F | 43.9 | Very low | 44.4 | Very low | 132 Ų | 132 | 100.4 Ų | 100.4 | 58% | 0.579 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.8 | -38.9 | 177 | -117.6 | -89.5 | 0 | 0 | 0 | 112.2 | F349 T350 C356 S357 | F349-F353 HydrophobicContact CD2-CD2 4.29Å; F349-F353 HydrophobicContact CE1-CD2 4.23Å; F349-F353 AromaticContact CE2-CD2 3.5Å; F349-F353 HydrophobicContact CE2-CD2 3.5Å; F349-F353 AromaticContact CE2-CE2 3.63Å; F349-F353 HydrophobicContact CE2-CE2 3.63Å; F349-F353 AromaticContact CZ-CD2 3.5Å; F349-F353 HydrophobicContact CZ-CD2 3.5Å; F349-F353 AromaticContact CZ-CE2 3.56Å; F349-F353 HydrophobicContact CZ-CE2 3.56Å; F349-F353 HydrophobicContact CZ-CG 4.47Å; F349-F353 PolarHBondContact O-N 3.36Å; T350-F353 PolarHBondContact O-N 3.2Å; F353-C356 PolarHBondContact O-N 2.95Å; F353-S357 WeakPolarHBondContact O-CB 3.46Å; F353-S357 PolarHBondContact O-N 3.49Å |
| 354 | C | 39.5 | Very low | 44.3 | Very low | 72 Ų | 72 | 100.5 Ų | 100.5 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 171.4 | -81.1 | 0 | 0 | 0 | 0 | 112.2 | T350 C356 C358 | T350-C354 WeakPolarHBondContact O-CB 3.47Å; T350-C354 PolarHBondContact O-N 3.3Å; C354-C356 PolarHBondContact O-N 3.4Å; C354-C358 VanDerWaalsContact O-CB 3.3Å; C354-C358 WeakPolarHBondContact O-CB 3.34Å; C354-C358 PolarHBondContact O-N 2.88Å; C354-C358 PolarHBondContact O-SG 2.83Å; C354-C358 VanDerWaalsContact O-SG 3.39Å |
| 355 | R | 36.9 | Very low | 44.3 | Very low | 193 Ų | 193 | 101.8 Ų | 101.8 | 73% | 0.728 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.3 | -35.7 | 176.5 | -79.2 | -176.3 | -164.3 | -174.3 | 6.5 | 113.3 | T351 K352 R359 | T351-R355 WeakPolarHBondContact O-CG 3.03Å; T351-R355 PolarHBondContact O-N 2.84Å; K352-R355 PolarHBondContact O-N 2.93Å; R355-R359 WeakPolarHBondContact O-CB 3.43Å; R355-R359 PolarHBondContact O-N 3.16Å |
| 356 | C | 40.7 | Very low | 44.4 | Very low | 99 Ų | 99 | 104.5 Ų | 104.5 | 67% | 0.669 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -76.2 | -38 | 178.7 | -72.7 | 0 | 0 | 0 | 0 | 112.7 | K352 F353 C354 | K352-C356 PolarHBondContact O-N 2.95Å; F353-C356 PolarHBondContact O-N 2.95Å; C354-C356 PolarHBondContact O-N 3.4Å |
| 357 | S | 41.1 | Very low | 44.3 | Very low | 87 Ų | 87 | 107.8 Ų | 107.8 | 61% | 0.608 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -72.2 | -35.8 | 177.9 | -159.1 | 0 | 0 | 0 | 0 | 112.5 | F353 | F353-S357 WeakPolarHBondContact O-CB 3.46Å; F353-S357 PolarHBondContact O-N 3.49Å |
| 358 | C | 39.9 | Very low | 44 | Very low | 67 Ų | 67 | 109.8 Ų | 109.8 | 45% | 0.453 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -77.1 | -24 | 178 | -69 | 0 | 0 | 0 | 0 | 114.3 | C354 R362 | C354-C358 VanDerWaalsContact O-CB 3.3Å; C354-C358 WeakPolarHBondContact O-CB 3.34Å; C354-C358 PolarHBondContact O-N 2.88Å; C354-C358 PolarHBondContact O-SG 2.83Å; C354-C358 VanDerWaalsContact O-SG 3.39Å; C358-R362 PolarHBondContact O-N 3.09Å |
| 359 | R | 40.7 | Very low | 43.8 | Very low | 204 Ų | 204 | 110.4 Ų | 110.4 | 77% | 0.77 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -75.7 | -32.2 | 174.7 | -112.3 | 178.2 | 178.2 | 176.1 | -1 | 113.2 | R355 | R355-R359 WeakPolarHBondContact O-CB 3.43Å; R355-R359 PolarHBondContact O-N 3.16Å |
| 360 | G | 41.7 | Very low | 43.7 | Very low | 51 Ų | 51 | 112.4 Ų | 112.4 | 53% | 0.526 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -69.1 | -33.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 361 | R | 40.3 | Very low | 43.4 | Very low | 204 Ų | 204 | 116.6 Ų | 116.6 | 77% | 0.77 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -81.5 | -30.8 | 179.9 | -116 | 178.6 | -168.3 | 172.9 | 3.6 | 114.5 | N363 V365 | R361-N363 VanDerWaalsContact C-N 3.34Å; R361-V365 WeakPolarHBondContact O-CG2 3.38Å; R361-V365 PolarHBondContact O-N 3.47Å |
| 362 | R | 43.5 | Very low | 43.3 | Very low | 196 Ų | 196 | 119.4 Ų | 119.4 | 74% | 0.74 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -71.9 | -26.9 | 176.1 | -75.8 | -174 | -166.7 | 169.4 | 5.2 | 113.3 | C358 A366 | C358-R362 PolarHBondContact O-N 3.09Å; R362-A366 PolarHBondContact O-N 3.2Å |
| 363 | N | 44.5 | Very low | 43.4 | Very low | 119 Ų | 119 | 120.1 Ų | 120.1 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -83.9 | -22.8 | 176.8 | -69.8 | -1.1 | 0 | 0 | 0 | 113.1 | R361 S367 | R361-N363 VanDerWaalsContact C-N 3.34Å; N363-S367 PolarHBondContact O-OG 3.49Å |
| 364 | A | 48.1 | Very low | 43.3 | Very low | 57 Ų | 57 | 119.3 Ų | 119.3 | 47% | 0.471 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -83.1 | -17.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 365 | V | 50.6 | Low | 43.6 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 68% | 0.679 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -97.8 | -10 | 176.1 | 179.4 | 0 | 0 | 0 | 0 | 111.9 | R361 | R361-V365 WeakPolarHBondContact O-CG2 3.38Å; R361-V365 PolarHBondContact O-N 3.47Å |
| 366 | A | 50.5 | Low | 44.1 | Very low | 87 Ų | 87 | 117.3 Ų | 117.3 | 72% | 0.719 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -94.9 | 1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | R362 | R362-A366 PolarHBondContact O-N 3.2Š|
| 367 | S | 48.2 | Very low | 44.4 | Very low | 101 Ų | 101 | 118.8 Ų | 118.8 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | trans | -126.7 | 15.1 | -179.6 | 71.2 | 0 | 0 | 0 | 0 | 113.7 | N363 | N363-S367 PolarHBondContact O-OG 3.49Š| ||
| 368 | A | 43.9 | Very low | 44.7 | Very low | 141 Ų | 141 | 121.7 Ų | 121.7 | 100% | 1.165 | 69% | 0.694 | S | S | * | * | trans | -131.6 | 0 | 170.2 | 0 | 0 | 0 | 0 | 0 | 107.3 |
Retrieved 368 of 368 residues in 281.2 ms
(Link to these results)