| 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 | 44.6 | Very low | 42.7 | Very low | 247 Ų | 247 | 164.4 Ų | 164.4 | 100% | 1.217 | 89% | 0.888 | S | S | * | * | 0 | 103.2 | 0 | -76.4 | -85.5 | -88.3 | 0 | 0 | 108.6 | |||||
| 2 | G | 39.9 | Very low | 42.3 | Very low | 81 Ų | 81 | 156.8 Ų | 156.8 | 84% | 0.835 | 88% | 0.877 | S | S | * | * | trans | 72.2 | 65 | 153.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 3 | C | 39.8 | Very low | 42.2 | Very low | 121 Ų | 121 | 160.8 Ų | 160.8 | 82% | 0.818 | 88% | 0.88 | S | S | * | * | trans | -84.8 | 140.9 | 149 | -74 | 0 | 0 | 0 | 0 | 109 | ||||
| 4 | S | 43 | Very low | 41.8 | Very low | 123 Ų | 123 | 164.3 Ų | 164.3 | 86% | 0.86 | 88% | 0.882 | S | S | * | * | trans | -146.9 | 97.1 | 165.1 | -79.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 5 | H | 42.5 | Very low | 41.5 | Very low | 182 Ų | 182 | 158.7 Ų | 158.7 | 84% | 0.843 | 88% | 0.878 | S | S | * | * | trans | -78.6 | 141.3 | 154.3 | -68.7 | -72.7 | 0 | 0 | 0 | 109 | ||||
| 6 | S | 47.9 | Very low | 41 | Very low | 128 Ų | 128 | 158.9 Ų | 158.9 | 90% | 0.895 | 87% | 0.871 | S | S | * | * | trans | -141.3 | 106.2 | 160.2 | -90.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 7 | K | 46.6 | Very low | 40.7 | Very low | 208 Ų | 208 | 159.5 Ų | 159.5 | 90% | 0.904 | 86% | 0.862 | S | S | * | * | trans | -86.4 | 134.1 | 158.4 | -78.4 | 177.8 | 173.4 | 173.8 | 0 | 108.6 | ||||
| 8 | K | 45.7 | Very low | 40.3 | Very low | 206 Ų | 206 | 162.4 Ų | 162.4 | 90% | 0.896 | 87% | 0.866 | S | S | * | * | trans | -161.6 | 106.5 | 150.7 | -108.9 | 170.5 | -177.1 | 175.1 | 0 | 108.1 | ||||
| 9 | K | 37.6 | Very low | 40 | Very low | 196 Ų | 196 | 162.7 Ų | 162.7 | 85% | 0.852 | 86% | 0.862 | S | S | * | * | 74.2 | 107.7 | 86.9 | -121.2 | -173.9 | -174.5 | -179.4 | 0 | 114.6 | |||||
| 10 | S | 42.5 | Very low | 39.7 | Very low | 105 Ų | 105 | 165 Ų | 165 | 73% | 0.734 | 86% | 0.864 | S | S | * | * | trans | 9.9 | 135.7 | 146.8 | 67.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 11 | K | 39.8 | Very low | 39.3 | Very low | 211 Ų | 211 | 163.8 Ų | 163.8 | 92% | 0.917 | 86% | 0.858 | S | S | * | * | trans | -156.1 | 116.8 | 134.7 | -120.7 | 172.8 | -178 | 175.1 | 0 | 110.6 | ||||
| 12 | G | 37.2 | Very low | 38.7 | Very low | 73 Ų | 73 | 157.2 Ų | 157.2 | 75% | 0.753 | 84% | 0.837 | S | S | * | * | trans | -72.4 | 154.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 13 | K | 41.4 | Very low | 38.3 | Very low | 210 Ų | 210 | 158.5 Ų | 158.5 | 91% | 0.913 | 83% | 0.833 | S | S | * | * | trans | -147.4 | 112.1 | 161 | -131.4 | 177.9 | -178.3 | -176.2 | 0 | 109.7 | ||||
| 14 | K | 37.3 | Very low | 38.2 | Very low | 209 Ų | 209 | 164.3 Ų | 164.3 | 91% | 0.909 | 84% | 0.838 | S | S | * | * | trans | -58.6 | 141.1 | 162 | -86.8 | 176.8 | 166.2 | -179.3 | 0 | 109.8 | ||||
| 15 | G | 36.7 | Very low | 37.8 | Very low | 80 Ų | 80 | 167.2 Ų | 167.2 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | trans | -146.5 | 109 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 16 | E | 33.8 | Very low | 37.5 | Very low | 163 Ų | 163 | 166.1 Ų | 166.1 | 76% | 0.762 | 84% | 0.838 | S | S | * | * | trans | -76.6 | 156.7 | 177.9 | -89.9 | 177.5 | 97.8 | 0 | 0 | 113.3 | ||||
| 17 | K | 35 | Very low | 36.9 | Very low | 168 Ų | 168 | 168.9 Ų | 168.9 | 73% | 0.73 | 84% | 0.837 | S | S | * | * | trans | 68.6 | 117.7 | 146.5 | -84.9 | 172.3 | 174.9 | 157.9 | 0 | 119.4 | ||||
| 18 | K | 34.4 | Very low | 36.8 | Very low | 213 Ų | 213 | 162.8 Ų | 162.8 | 93% | 0.926 | 83% | 0.833 | S | S | * | * | -155.7 | 121.6 | 106.9 | -107.8 | 173 | -174.7 | -177.7 | 0 | 112.2 | |||||
| 19 | Q | 33.9 | Very low | 36.4 | Very low | 167 Ų | 167 | 156 Ų | 156 | 78% | 0.78 | 82% | 0.822 | S | S | * | * | trans | -76.1 | 137.9 | 170 | -155.9 | 174.7 | -13.3 | 0 | 0 | 108.3 | ||||
| 20 | K | 33.9 | Very low | 37 | Very low | 209 Ų | 209 | 157.2 Ų | 157.2 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | trans | -146.7 | 113.5 | 155.6 | -156.5 | 175.4 | -175.3 | -177.3 | 0 | 109.6 | ||||
| 21 | D | 30.9 | Very low | 37.1 | Very low | 140 Ų | 140 | 162.8 Ų | 162.8 | 75% | 0.749 | 83% | 0.832 | S | S | * | * | trans | -52.1 | 140.2 | 170.6 | -85.7 | -52 | 0 | 0 | 0 | 112.9 | ||||
| 22 | S | 32.2 | Very low | 37.4 | Very low | 109 Ų | 109 | 155.4 Ų | 155.4 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -146.7 | 95.7 | 136.4 | 72.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 23 | S | 32.9 | Very low | 38.2 | Very low | 108 Ų | 108 | 157.3 Ų | 157.3 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -3.2 | 117.8 | 149.3 | -178.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 24 | R | 36.9 | Very low | 38.9 | Very low | 243 Ų | 243 | 150.9 Ų | 150.9 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -120.1 | 132.8 | 154.5 | -76.1 | -172.2 | 177.3 | -175.4 | -0.5 | 108.7 | ||||
| 25 | Q | 34.9 | Very low | 39.9 | Very low | 184 Ų | 184 | 146 Ų | 146 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -55.2 | 141.7 | -172.4 | -71.3 | 163.9 | -69.9 | 0 | 0 | 112.7 | E27 | Q25-E27 PolarHBondContact O-N 3.08Š| ||
| 26 | D | 35.3 | Very low | 41 | Very low | 159 Ų | 159 | 147.6 Ų | 147.6 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | -60.7 | 113.6 | 160.3 | -170.8 | 18.8 | 0 | 0 | 0 | 109.2 | ||||
| 27 | E | 36.3 | Very low | 42.7 | Very low | 185 Ų | 185 | 145 Ų | 145 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | -131.3 | 104.7 | 159.9 | -90 | -112.4 | 148.8 | 0 | 0 | 106.5 | Q25 G29 | Q25-E27 PolarHBondContact O-N 3.08Å; E27-G29 PolarHBondContact O-N 3.02Å | ||
| 28 | G | 43.8 | Very low | 44.4 | Very low | 81 Ų | 81 | 139.9 Ų | 139.9 | 84% | 0.835 | 74% | 0.737 | S | S | * | * | trans | -59.7 | 118.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 29 | G | 38 | Very low | 46.5 | Very low | 63 Ų | 63 | 133.4 Ų | 133.4 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | trans | -134.3 | 99.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | E27 R31 | E27-G29 PolarHBondContact O-N 3.02Å; G29-R31 PolarHBondContact O-N 3.41Å | ||
| 30 | K | 50.5 | Low | 48.6 | Very low | 221 Ų | 221 | 130 Ų | 130 | 96% | 0.961 | 70% | 0.704 | S | S | * | * | trans | -52.1 | 101.9 | 169 | -121.4 | 170.2 | 179.2 | 176.6 | 0 | 109.1 | ||||
| 31 | R | 44.8 | Very low | 50.9 | Low | 222 Ų | 222 | 125.6 Ų | 125.6 | 84% | 0.838 | 69% | 0.687 | S | S | * | * | trans | -96.5 | 131.4 | 164.2 | -76.2 | -172.2 | -179.5 | -175.1 | 0.4 | 108.7 | G29 | G29-R31 PolarHBondContact O-N 3.41Š| ||
| 32 | S | 46 | Very low | 53.4 | Low | 57 Ų | 57 | 124.9 Ų | 124.9 | 40% | 0.399 | 68% | 0.677 | S | S | . | * | trans | -68 | 142.6 | -177.9 | 80.9 | 0 | 0 | 0 | 0 | 110.2 | S34 D35 | S32-S34 PolarHBondContact O-N 3.31Å; S32-S34 VanDerWaalsContact O-N 3.13Å; S32-D35 PolarHBondContact O-N 3.5Å; S32-D35 VanDerWaalsContact OG-CG 3.27Å; S32-D35 PolarHBondContact OG-N 2.94Å; S32-D35 PolarHBondContact OG-OD2 3.49Å | ||
| 33 | S | 53.5 | Low | 55.8 | Low | 113 Ų | 113 | 124 Ų | 124 | 79% | 0.79 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -59.5 | -20 | 174.7 | -170.6 | 0 | 0 | 0 | 0 | 113 | ||
| 34 | S | 56.4 | Low | 58.2 | Low | 74 Ų | 74 | 123.9 Ų | 123.9 | 52% | 0.517 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -69.8 | -38.9 | 179.5 | 164.4 | 0 | 0 | 0 | 0 | 112.9 | S32 L36 D37 V38 | S32-S34 PolarHBondContact O-N 3.31Å; S32-S34 VanDerWaalsContact O-N 3.13Å; S34-L36 VanDerWaalsContact C-N 3.33Å; S34-L36 PolarHBondContact O-N 3.37Å; S34-D37 PolarHBondContact O-N 3.49Å; S34-V38 WeakPolarHBondContact O-CG2 3.42Å; S34-V38 PolarHBondContact O-N 3.29Å |
| 35 | D | 57.4 | Low | 60.6 | Low | 106 Ų | 106 | 117.9 Ų | 117.9 | 57% | 0.567 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -74.9 | -24.9 | -176.1 | -62.4 | -45.5 | 0 | 0 | 0 | 112.9 | S32 C39 | S32-D35 PolarHBondContact O-N 3.5Å; S32-D35 VanDerWaalsContact OG-CG 3.27Å; S32-D35 PolarHBondContact OG-N 2.94Å; S32-D35 PolarHBondContact OG-OD2 3.49Å; D35-C39 PolarHBondContact O-N 3.32Å |
| 36 | L | 61.3 | Low | 62.9 | Low | 114 Ų | 114 | 117.4 Ų | 117.4 | 60% | 0.597 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.9 | -37.9 | 173.1 | -121.8 | 84.3 | 0 | 0 | 0 | 111.5 | S34 C39 L40 | S34-L36 VanDerWaalsContact C-N 3.33Å; S34-L36 PolarHBondContact O-N 3.37Å; L36-C39 WeakPolarHBondContact O-CB 3.49Å; L36-C39 PolarHBondContact O-N 3.49Å; L36-L40 WeakPolarHBondContact O-CG 3.47Å; L36-L40 PolarHBondContact O-N 3.01Å; L36-L40 VanDerWaalsContact O-N 3.16Å |
| 37 | D | 68.1 | Low | 65.2 | Low | 109 Ų | 109 | 114.8 Ų | 114.8 | 58% | 0.583 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.9 | -46 | -177.4 | -156.6 | 31.6 | 0 | 0 | 0 | 111.2 | S34 C39 L40 E41 | S34-D37 PolarHBondContact O-N 3.49Å; D37-C39 PolarHBondContact O-N 3.48Å; D37-L40 PolarHBondContact O-N 3.02Å; D37-L40 VanDerWaalsContact O-N 3.15Å; D37-E41 PolarHBondContact O-N 3.44Å |
| 38 | V | 71.8 | Confident | 67.7 | Low | 60 Ų | 60 | 112.3 Ų | 112.3 | 36% | 0.364 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.6 | -28.9 | 174.2 | 175.2 | 0 | 0 | 0 | 0 | 112.4 | S34 K42 | S34-V38 WeakPolarHBondContact O-CG2 3.42Å; S34-V38 PolarHBondContact O-N 3.29Å; V38-K42 HydrophobicContact CG1-CD 4.34Å; V38-K42 WeakPolarHBondContact O-CG 2.97Å; V38-K42 PolarHBondContact O-N 3.16Å |
| 39 | C | 76.9 | Confident | 69.7 | Low | 77 Ų | 77 | 113.5 Ų | 113.5 | 52% | 0.52 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -71.7 | -41.4 | 176.2 | -169.4 | 0 | 0 | 0 | 0 | 111.6 | D35 L36 D37 Q43 | D35-C39 PolarHBondContact O-N 3.32Å; L36-C39 WeakPolarHBondContact O-CB 3.49Å; L36-C39 PolarHBondContact O-N 3.49Å; D37-C39 PolarHBondContact O-N 3.48Å; C39-Q43 WeakPolarHBondContact O-CB 3.39Å; C39-Q43 PolarHBondContact O-N 3.29Å |
| 40 | L | 79.9 | Confident | 72 | Confident | 95 Ų | 95 | 111.9 Ų | 111.9 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70 | -39.6 | 178.1 | -68.6 | 169.8 | 0 | 0 | 0 | 112 | L36 D37 Q43 L44 | L36-L40 WeakPolarHBondContact O-CG 3.47Å; L36-L40 PolarHBondContact O-N 3.01Å; L36-L40 VanDerWaalsContact O-N 3.16Å; D37-L40 PolarHBondContact O-N 3.02Å; D37-L40 VanDerWaalsContact O-N 3.15Å; L40-Q43 WeakPolarHBondContact O-CB 3.33Å; L40-Q43 PolarHBondContact O-N 3.49Å; L40-Q43 VanDerWaalsContact O-N 3.13Å; L40-L44 WeakPolarHBondContact O-CG 3.3Å; L40-L44 PolarHBondContact O-N 2.9Å |
| 41 | E | 81.4 | Confident | 73.7 | Confident | 118 Ų | 118 | 107 Ų | 107 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.7 | -45.3 | 177.9 | -166.1 | 169.7 | -148.5 | 0 | 0 | 111.8 | D37 Q43 L44 E45 | D37-E41 PolarHBondContact O-N 3.44Å; E41-Q43 PolarHBondContact O-N 3.27Å; E41-L44 WeakPolarHBondContact O-CB 3.32Å; E41-L44 PolarHBondContact O-N 3.42Å; E41-L44 VanDerWaalsContact O-N 3.14Å; E41-E45 PolarHBondContact O-N 3.21Å |
| 42 | K | 83.7 | Confident | 75.8 | Confident | 124 Ų | 124 | 102.6 Ų | 102.6 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.2 | -29.4 | 173 | -72.6 | 174.6 | -177.4 | 175.1 | 0 | 113.3 | V38 R46 | V38-K42 HydrophobicContact CG1-CD 4.34Å; V38-K42 WeakPolarHBondContact O-CG 2.97Å; V38-K42 PolarHBondContact O-N 3.16Å; K42-R46 VanDerWaalsContact O-CG 3.28Å; K42-R46 WeakPolarHBondContact O-CG 3.43Å; K42-R46 PolarHBondContact O-N 2.95Å |
| 43 | Q | 82 | Confident | 77.8 | Confident | 91 Ų | 91 | 100.5 Ų | 100.5 | 43% | 0.425 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -75.4 | -36.4 | 176 | -172.6 | 172.4 | -19.5 | 0 | 0 | 111.1 | C39 L40 E41 R46 F47 | C39-Q43 WeakPolarHBondContact O-CB 3.39Å; C39-Q43 PolarHBondContact O-N 3.29Å; L40-Q43 WeakPolarHBondContact O-CB 3.33Å; L40-Q43 PolarHBondContact O-N 3.49Å; L40-Q43 VanDerWaalsContact O-N 3.13Å; E41-Q43 PolarHBondContact O-N 3.27Å; Q43-R46 PolarHBondContact O-N 3.49Å; Q43-F47 HydrophobicContact CG-CD2 4.18Å; Q43-F47 HydrophobicContact CG-CE2 3.64Å; Q43-F47 HydrophobicContact CG-CZ 4.25Å; Q43-F47 WeakPolarHBondContact O-CD2 3.47Å; Q43-F47 PolarHBondContact O-N 2.86Å; Q43-F47 VanDerWaalsContact O-N 3.15Å |
| 44 | L | 84.2 | Confident | 79.4 | Confident | 105 Ų | 105 | 96.8 Ų | 96.8 | 55% | 0.55 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.2 | -48.1 | 172.6 | -74.3 | 170.1 | 0 | 0 | 0 | 111.9 | L40 E41 R46 F47 E48 | L40-L44 WeakPolarHBondContact O-CG 3.3Å; L40-L44 PolarHBondContact O-N 2.9Å; E41-L44 WeakPolarHBondContact O-CB 3.32Å; E41-L44 PolarHBondContact O-N 3.42Å; E41-L44 VanDerWaalsContact O-N 3.14Å; L44-R46 PolarHBondContact O-N 2.85Å; L44-F47 PolarHBondContact O-N 2.82Å; L44-E48 WeakPolarHBondContact O-CG 3.2Å; L44-E48 PolarHBondContact O-N 3.4Å |
| 45 | E | 86.1 | Confident | 80.9 | Confident | 118 Ų | 118 | 100.6 Ų | 100.6 | 55% | 0.551 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -56 | -37.4 | 176.6 | -71.8 | 178.7 | 164.2 | 0 | 0 | 112.3 | E41 W49 | E41-E45 PolarHBondContact O-N 3.21Å; E45-W49 WeakPolarHBondContact O-CB 3.45Å; E45-W49 PolarHBondContact O-N 3.47Å |
| 46 | R | 83 | Confident | 82.5 | Confident | 174 Ų | 174 | 99.6 Ų | 99.6 | 66% | 0.657 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.6 | -46.8 | 174.5 | -74.8 | 172.3 | -178.4 | -134.8 | -0.1 | 111.8 | K42 Q43 L44 W49 Q50 | K42-R46 VanDerWaalsContact O-CG 3.28Å; K42-R46 WeakPolarHBondContact O-CG 3.43Å; K42-R46 PolarHBondContact O-N 2.95Å; Q43-R46 PolarHBondContact O-N 3.49Å; L44-R46 PolarHBondContact O-N 2.85Å; R46-W49 PolarHBondContact O-N 2.93Å; R46-Q50 WeakPolarHBondContact O-CB 3.38Å; R46-Q50 WeakPolarHBondContact O-CG 3.41Å; R46-Q50 PolarHBondContact O-N 3.35Å |
| 47 | F | 84.6 | Confident | 83.8 | Confident | 103 Ų | 103 | 94.2 Ų | 94.2 | 45% | 0.452 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 178.1 | -71.1 | -48.8 | 0 | 0 | 0 | 112.2 | Q43 L44 W49 Q50 L51 | Q43-F47 HydrophobicContact CG-CD2 4.18Å; Q43-F47 HydrophobicContact CG-CE2 3.64Å; Q43-F47 HydrophobicContact CG-CZ 4.25Å; Q43-F47 WeakPolarHBondContact O-CD2 3.47Å; Q43-F47 PolarHBondContact O-N 2.86Å; Q43-F47 VanDerWaalsContact O-N 3.15Å; L44-F47 PolarHBondContact O-N 2.82Å; F47-W49 VanDerWaalsContact C-N 3.35Å; F47-W49 PolarHBondContact O-N 3.24Å; F47-Q50 PolarHBondContact O-N 3.29Å; F47-L51 WeakPolarHBondContact O-CB 3.26Å; F47-L51 VanDerWaalsContact O-CG 3.3Å; F47-L51 WeakPolarHBondContact O-CG 3.36Å; F47-L51 PolarHBondContact O-N 2.96Å |
| 48 | E | 87.6 | Confident | 84.7 | Confident | 133 Ų | 133 | 95 Ų | 95 | 62% | 0.621 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62 | -43.1 | 176.3 | -72.5 | -176.3 | 167.4 | 0 | 0 | 112 | L44 L51 K52 | L44-E48 WeakPolarHBondContact O-CG 3.2Å; L44-E48 PolarHBondContact O-N 3.4Å; E48-L51 PolarHBondContact O-N 3.22Å; E48-K52 PolarHBondContact O-N 2.76Å |
| 49 | W | 87.2 | Confident | 85.5 | Confident | 107 Ų | 107 | 96.4 Ų | 96.4 | 41% | 0.405 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.5 | -40.5 | 176.7 | -179.1 | 90.9 | 0 | 0 | 0 | 112.5 | E45 R46 F47 L51 K52 I53 H72 T74 | E45-W49 WeakPolarHBondContact O-CB 3.45Å; E45-W49 PolarHBondContact O-N 3.47Å; R46-W49 PolarHBondContact O-N 2.93Å; F47-W49 VanDerWaalsContact C-N 3.35Å; F47-W49 PolarHBondContact O-N 3.24Å; W49-L51 PolarHBondContact O-N 3.34Å; W49-K52 WeakPolarHBondContact O-CB 3.36Å; W49-K52 PolarHBondContact O-N 3.06Å; W49-I53 HydrophobicContact CD2-CD1 3.81Å; W49-I53 VanDerWaalsContact CE2-CD1 3.48Å; W49-I53 HydrophobicContact CE3-CD1 3.85Å; W49-I53 HydrophobicContact CH2-CD1 3.48Å; W49-I53 VanDerWaalsContact CH2-CD1 3.48Å; W49-I53 HydrophobicContact CZ2-CD1 3.33Å; W49-I53 HydrophobicContact CZ3-CD1 3.68Å; W49-I53 PolarHBondContact O-N 3.38Å; W49-I53 VanDerWaalsContact O-N 3.14Å; W49-H72 WeakPolarHBondContact CH2-O 3.39Å; W49-T74 HydrophobicContact CH2-CG2 3.94Å; W49-T74 HydrophobicContact CZ3-CG2 3.76Å |
| 50 | Q | 85.4 | Confident | 86 | Confident | 29 Ų | 29 | 93.1 Ų | 93.1 | 14% | 0.136 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 173.6 | -75.5 | 178.3 | -26.2 | 0 | 0 | 111.4 | R46 F47 K52 I53 L54 H73 T74 | R46-Q50 WeakPolarHBondContact O-CB 3.38Å; R46-Q50 WeakPolarHBondContact O-CG 3.41Å; R46-Q50 PolarHBondContact O-N 3.35Å; F47-Q50 PolarHBondContact O-N 3.29Å; Q50-K52 VanDerWaalsContact C-N 3.31Å; Q50-K52 PolarHBondContact O-N 3.48Å; Q50-I53 PolarHBondContact O-N 2.87Å; Q50-L54 VanDerWaalsContact O-CG 3.32Å; Q50-L54 WeakPolarHBondContact O-CG 3.47Å; Q50-L54 PolarHBondContact O-N 3.45Å; Q50-H73 WeakPolarHBondContact CB-NE2 3.34Å; Q50-H73 WeakPolarHBondContact CG-NE2 3.41Å; Q50-T74 PolarHBondContact NE2-OG1 3.04Å |
| 51 | L | 86.3 | Confident | 86.2 | Confident | 117 Ų | 117 | 95.6 Ų | 95.6 | 61% | 0.613 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62 | -37.7 | 176.3 | -75 | 171.4 | 0 | 0 | 0 | 112.7 | F47 E48 W49 L54 K55 | F47-L51 WeakPolarHBondContact O-CB 3.26Å; F47-L51 VanDerWaalsContact O-CG 3.3Å; F47-L51 WeakPolarHBondContact O-CG 3.36Å; F47-L51 PolarHBondContact O-N 2.96Å; E48-L51 PolarHBondContact O-N 3.22Å; W49-L51 PolarHBondContact O-N 3.34Å; L51-L54 PolarHBondContact O-N 3.2Å; L51-K55 WeakPolarHBondContact O-CB 3.38Å; L51-K55 PolarHBondContact O-N 3.49Å |
| 52 | K | 89.8 | Confident | 86.3 | Confident | 130 Ų | 130 | 91.5 Ų | 91.5 | 57% | 0.565 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.4 | -48.9 | 177.6 | -173.7 | 179.1 | 177.1 | -177.8 | 0 | 111.7 | E48 W49 Q50 L54 K55 E56 | E48-K52 PolarHBondContact O-N 2.76Å; W49-K52 WeakPolarHBondContact O-CB 3.36Å; W49-K52 PolarHBondContact O-N 3.06Å; Q50-K52 VanDerWaalsContact C-N 3.31Å; Q50-K52 PolarHBondContact O-N 3.48Å; K52-L54 PolarHBondContact O-N 3.12Å; K52-K55 PolarHBondContact O-N 3.02Å; K52-E56 WeakPolarHBondContact CE-OE1 3.4Å; K52-E56 PolarHBondContact O-N 2.89Å; K52-E56 VanDerWaalsContact O-N 3.11Å |
| 53 | I | 86.9 | Confident | 86.2 | Confident | 13 Ų | 13 | 89.5 Ų | 89.5 | 7% | 0.067 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -62 | -45.3 | 177.9 | -68.1 | 178.2 | 0 | 0 | 0 | 110.6 | W49 Q50 K55 E56 V57 L69 H72 H73 | W49-I53 HydrophobicContact CD2-CD1 3.81Å; W49-I53 VanDerWaalsContact CE2-CD1 3.48Å; W49-I53 HydrophobicContact CE3-CD1 3.85Å; W49-I53 HydrophobicContact CH2-CD1 3.48Å; W49-I53 VanDerWaalsContact CH2-CD1 3.48Å; W49-I53 HydrophobicContact CZ2-CD1 3.33Å; W49-I53 HydrophobicContact CZ3-CD1 3.68Å; W49-I53 PolarHBondContact O-N 3.38Å; W49-I53 VanDerWaalsContact O-N 3.14Å; Q50-I53 PolarHBondContact O-N 2.87Å; I53-K55 VanDerWaalsContact C-N 3.28Å; I53-K55 PolarHBondContact O-N 3.36Å; I53-E56 PolarHBondContact O-N 3.26Å; I53-E56 VanDerWaalsContact O-N 3.16Å; I53-V57 HydrophobicContact CG2-CG2 4.29Å; I53-V57 VanDerWaalsContact O-CG2 3.26Å; I53-V57 WeakPolarHBondContact O-CG2 3.49Å; I53-V57 PolarHBondContact O-N 3.36Å; I53-L69 WeakPolarHBondContact CG2-O 3.49Å; I53-H72 HydrophobicContact CD1-CB 4.3Å; I53-H73 HydrophobicContact CG2-CB 4.41Å |
| 54 | L | 87.4 | Confident | 86.2 | Confident | 36 Ų | 36 | 88.8 Ų | 88.8 | 19% | 0.188 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 177.8 | -72.5 | 171.4 | 0 | 0 | 0 | 112.5 | Q50 L51 K52 V57 L58 L70 V78 V82 | Q50-L54 VanDerWaalsContact O-CG 3.32Å; Q50-L54 WeakPolarHBondContact O-CG 3.47Å; Q50-L54 PolarHBondContact O-N 3.45Å; L51-L54 PolarHBondContact O-N 3.2Å; K52-L54 PolarHBondContact O-N 3.12Å; L54-V57 PolarHBondContact O-N 3.17Å; L54-L58 VanDerWaalsContact O-CG 3.3Å; L54-L58 WeakPolarHBondContact O-CG 3.42Å; L54-L58 PolarHBondContact O-N 2.94Å; L54-L70 HydrophobicContact CD2-CD2 4.42Å; L54-V78 HydrophobicContact CD1-CG1 4.07Å; L54-V78 HydrophobicContact CD2-CG1 4.02Å; L54-V82 HydrophobicContact CD2-CG2 3.67Å |
| 55 | K | 89.1 | Confident | 86.3 | Confident | 153 Ų | 153 | 88.3 Ų | 88.3 | 67% | 0.665 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65 | -40.6 | 176.4 | -172.5 | 178.6 | 179.5 | -178.7 | 0 | 112.2 | L51 K52 I53 L58 S59 | L51-K55 WeakPolarHBondContact O-CB 3.38Å; L51-K55 PolarHBondContact O-N 3.49Å; K52-K55 PolarHBondContact O-N 3.02Å; I53-K55 VanDerWaalsContact C-N 3.28Å; I53-K55 PolarHBondContact O-N 3.36Å; K55-L58 PolarHBondContact O-N 3.25Å; K55-S59 WeakPolarHBondContact O-CB 3.49Å; K55-S59 PolarHBondContact O-N 2.87Å; K55-S59 VanDerWaalsContact O-N 3.16Å; K55-S59 PolarHBondContact O-OG 3.35Å |
| 56 | E | 89.5 | Confident | 86.4 | Confident | 86 Ų | 86 | 85.4 Ų | 85.4 | 40% | 0.402 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 176 | -70.6 | 172 | -169.2 | 0 | 0 | 111 | K52 I53 L58 S59 A60 L69 | K52-E56 WeakPolarHBondContact CE-OE1 3.4Å; K52-E56 PolarHBondContact O-N 2.89Å; K52-E56 VanDerWaalsContact O-N 3.11Å; I53-E56 PolarHBondContact O-N 3.26Å; I53-E56 VanDerWaalsContact O-N 3.16Å; E56-L58 PolarHBondContact O-N 3.44Å; E56-S59 PolarHBondContact O-N 2.94Å; E56-S59 VanDerWaalsContact O-N 3.11Å; E56-A60 PolarHBondContact O-N 3.38Å; E56-L69 HydrophobicContact CB-CD1 4.33Å |
| 57 | V | 89.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 175.7 | 172.8 | 0 | 0 | 0 | 0 | 112.1 | I53 L54 S59 R66 L69 L70 V82 L86 | I53-V57 HydrophobicContact CG2-CG2 4.29Å; I53-V57 VanDerWaalsContact O-CG2 3.26Å; I53-V57 WeakPolarHBondContact O-CG2 3.49Å; I53-V57 PolarHBondContact O-N 3.36Å; L54-V57 PolarHBondContact O-N 3.17Å; V57-S59 PolarHBondContact O-N 3.5Å; V57-R66 HydrophobicContact CG1-CB 4.15Å; V57-R66 HydrophobicContact CG1-CG 4.29Å; V57-R66 WeakPolarHBondContact O-CD 3.42Å; V57-R66 VanDerWaalsContact O-CG 3.29Å; V57-R66 WeakPolarHBondContact O-CG 3.49Å; V57-L69 HydrophobicContact CG2-CB 3.57Å; V57-L69 HydrophobicContact CG2-CD1 4.46Å; V57-L70 HydrophobicContact CB-CD2 4.44Å; V57-L70 HydrophobicContact CB-CG 4.42Å; V57-L70 HydrophobicContact CG1-CD1 3.94Å; V57-L70 HydrophobicContact CG1-CD2 4.13Å; V57-L70 HydrophobicContact CG1-CG 3.89Å; V57-L70 HydrophobicContact CG2-CD2 3.78Å; V57-L70 HydrophobicContact CG2-CG 3.65Å; V57-V82 HydrophobicContact CG1-CG1 4.09Å; V57-L86 HydrophobicContact CG1-CD1 4.26Å |
| 58 | L | 85.8 | Confident | 86.6 | Confident | 125 Ų | 125 | 79.1 Ų | 79.1 | 65% | 0.654 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -68.4 | -23.1 | 177.5 | -69.4 | 173.6 | 0 | 0 | 0 | 112.8 | L54 K55 E56 | L54-L58 VanDerWaalsContact O-CG 3.3Å; L54-L58 WeakPolarHBondContact O-CG 3.42Å; L54-L58 PolarHBondContact O-N 2.94Å; K55-L58 PolarHBondContact O-N 3.25Å; E56-L58 PolarHBondContact O-N 3.44Å |
| 59 | S | 89.4 | Confident | 86.5 | Confident | 90 Ų | 90 | 75 Ų | 75 | 63% | 0.629 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -92.4 | -24.5 | -178.7 | -53.8 | 0 | 0 | 0 | 0 | 113.6 | K55 E56 V57 | K55-S59 WeakPolarHBondContact O-CB 3.49Å; K55-S59 PolarHBondContact O-N 2.87Å; K55-S59 VanDerWaalsContact O-N 3.16Å; K55-S59 PolarHBondContact O-OG 3.35Å; E56-S59 PolarHBondContact O-N 2.94Å; E56-S59 VanDerWaalsContact O-N 3.11Å; V57-S59 PolarHBondContact O-N 3.5Å |
| 60 | A | 88.2 | Confident | 86.4 | Confident | 9 Ų | 9 | 70.3 Ų | 70.3 | 7% | 0.074 | 38% | 0.379 | C | S | . | . | trans | -59.8 | 150.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | E56 E65 R66 L69 | E56-A60 PolarHBondContact O-N 3.38Å; A60-E65 HydrophobicContact CB-CB 4.39Å; A60-E65 HydrophobicContact CB-CG 3.79Å; A60-R66 HydrophobicContact CB-CG 3.67Å; A60-R66 PolarHBondContact O-NE 3.04Å; A60-R66 PolarHBondContact O-NH2 3.44Å; A60-L69 HydrophobicContact CB-CD1 4.01Å | ||
| 61 | N | 83.1 | Confident | 86.3 | Confident | 147 Ų | 147 | 76.9 Ų | 76.9 | 79% | 0.786 | 41% | 0.408 | S | S | * | . | trans | -101.2 | -28.3 | -171.4 | -131.8 | 29.1 | 0 | 0 | 0 | 112.3 | E65 R66 | N61-E65 PolarHBondContact N-OE2 3.39Å; N61-R66 PolarHBondContact O-NH2 3.02Å | ||
| 62 | G | 82.6 | Confident | 85.8 | Confident | 31 Ų | 31 | 77.9 Ų | 77.9 | 32% | 0.32 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -99 | 147.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S64 E65 R66 | G62-S64 VanDerWaalsContact C-N 3.33Å; G62-S64 PolarHBondContact O-N 3.26Å; G62-E65 PolarHBondContact N-OE2 3.14Å; G62-E65 PolarHBondContact O-N 3.46Å; G62-R66 VanDerWaalsContact O-CG 3.25Å; G62-R66 WeakPolarHBondContact O-CG 3.41Å; G62-R66 PolarHBondContact O-N 3.38Å |
| 63 | S | 81.6 | Confident | 85.5 | Confident | 83 Ų | 83 | 72.5 Ų | 72.5 | 58% | 0.58 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.1 | -33.5 | 175.2 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | A67 | S63-A67 WeakPolarHBondContact O-CB 3.43Å; S63-A67 PolarHBondContact O-N 3.46Å; S63-A67 VanDerWaalsContact O-N 3.15Å |
| 64 | S | 83.1 | Confident | 85.1 | Confident | 75 Ų | 75 | 76.8 Ų | 76.8 | 52% | 0.524 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.6 | -45.5 | 175.2 | -161.4 | 0 | 0 | 0 | 0 | 111.5 | G62 R66 A67 E68 | G62-S64 VanDerWaalsContact C-N 3.33Å; G62-S64 PolarHBondContact O-N 3.26Å; S64-R66 PolarHBondContact O-N 3.08Å; S64-A67 PolarHBondContact O-N 2.97Å; S64-E68 WeakPolarHBondContact O-CG 3.39Å; S64-E68 PolarHBondContact O-N 3.35Å; S64-E68 PolarHBondContact OG-OE1 2.95Å |
| 65 | E | 86.5 | Confident | 84.8 | Confident | 95 Ų | 95 | 77.6 Ų | 77.6 | 44% | 0.444 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 177.7 | -174.7 | -175 | -163 | 0 | 0 | 111.5 | A60 N61 G62 A67 E68 L69 | A60-E65 HydrophobicContact CB-CB 4.39Å; A60-E65 HydrophobicContact CB-CG 3.79Å; N61-E65 PolarHBondContact N-OE2 3.39Å; G62-E65 PolarHBondContact N-OE2 3.14Å; G62-E65 PolarHBondContact O-N 3.46Å; E65-A67 PolarHBondContact O-N 2.89Å; E65-E68 PolarHBondContact O-N 3.44Å; E65-L69 WeakPolarHBondContact O-CG 3.48Å; E65-L69 PolarHBondContact O-N 3.26Å; E65-L69 VanDerWaalsContact O-N 3.12Å |
| 66 | R | 87.2 | Confident | 84.6 | Confident | 57 Ų | 57 | 78.4 Ų | 78.4 | 22% | 0.215 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 174.9 | -70.5 | -177.9 | -166.2 | 126.8 | -0.9 | 112.9 | V57 A60 N61 G62 S64 L70 L86 | V57-R66 HydrophobicContact CG1-CB 4.15Å; V57-R66 HydrophobicContact CG1-CG 4.29Å; V57-R66 WeakPolarHBondContact O-CD 3.42Å; V57-R66 VanDerWaalsContact O-CG 3.29Å; V57-R66 WeakPolarHBondContact O-CG 3.49Å; A60-R66 HydrophobicContact CB-CG 3.67Å; A60-R66 PolarHBondContact O-NE 3.04Å; A60-R66 PolarHBondContact O-NH2 3.44Å; N61-R66 PolarHBondContact O-NH2 3.02Å; G62-R66 VanDerWaalsContact O-CG 3.25Å; G62-R66 WeakPolarHBondContact O-CG 3.41Å; G62-R66 PolarHBondContact O-N 3.38Å; S64-R66 PolarHBondContact O-N 3.08Å; R66-L70 WeakPolarHBondContact O-CG 3.3Å; R66-L70 PolarHBondContact O-N 3.14Å; R66-L86 HydrophobicContact CB-CD1 4.38Å |
| 67 | A | 85.6 | Confident | 84.4 | Confident | 38 Ų | 38 | 82.1 Ų | 82.1 | 31% | 0.314 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -70.2 | -34.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S63 S64 E65 K71 | S63-A67 WeakPolarHBondContact O-CB 3.43Å; S63-A67 PolarHBondContact O-N 3.46Å; S63-A67 VanDerWaalsContact O-N 3.15Å; S64-A67 PolarHBondContact O-N 2.97Å; E65-A67 PolarHBondContact O-N 2.89Å; A67-K71 PolarHBondContact O-N 3.32Å |
| 68 | E | 85.7 | Confident | 84.2 | Confident | 107 Ų | 107 | 84.1 Ų | 84.1 | 50% | 0.5 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.8 | -45.1 | 175.3 | -75.1 | 168.1 | -157.7 | 0 | 0 | 112 | S64 E65 L70 K71 | S64-E68 WeakPolarHBondContact O-CG 3.39Å; S64-E68 PolarHBondContact O-N 3.35Å; S64-E68 PolarHBondContact OG-OE1 2.95Å; E65-E68 PolarHBondContact O-N 3.44Å; E68-L70 VanDerWaalsContact C-N 3.3Å; E68-L70 PolarHBondContact O-N 3.47Å; E68-K71 WeakPolarHBondContact O-CB 3.33Å; E68-K71 PolarHBondContact O-N 2.91Å |
| 69 | L | 85.9 | Confident | 84.2 | Confident | 48 Ų | 48 | 79 Ų | 79 | 25% | 0.251 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.1 | -35.4 | 177.2 | -71.7 | 168.6 | 0 | 0 | 0 | 112.8 | I53 E56 V57 A60 E65 K71 H72 | I53-L69 WeakPolarHBondContact CG2-O 3.49Å; E56-L69 HydrophobicContact CB-CD1 4.33Å; V57-L69 HydrophobicContact CG2-CB 3.57Å; V57-L69 HydrophobicContact CG2-CD1 4.46Å; A60-L69 HydrophobicContact CB-CD1 4.01Å; E65-L69 WeakPolarHBondContact O-CG 3.48Å; E65-L69 PolarHBondContact O-N 3.26Å; E65-L69 VanDerWaalsContact O-N 3.12Å; L69-K71 PolarHBondContact O-N 2.99Å; L69-H72 PolarHBondContact O-N 2.9Å |
| 70 | L | 85.4 | Confident | 84.2 | Confident | 7 Ų | 7 | 77.6 Ų | 77.6 | 4% | 0.037 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -71.8 | -23.3 | 178.3 | -75.4 | 168.6 | 0 | 0 | 0 | 114.1 | L54 V57 R66 E68 H72 H73 C79 V82 L83 | L54-L70 HydrophobicContact CD2-CD2 4.42Å; V57-L70 HydrophobicContact CB-CD2 4.44Å; V57-L70 HydrophobicContact CB-CG 4.42Å; V57-L70 HydrophobicContact CG1-CD1 3.94Å; V57-L70 HydrophobicContact CG1-CD2 4.13Å; V57-L70 HydrophobicContact CG1-CG 3.89Å; V57-L70 HydrophobicContact CG2-CD2 3.78Å; V57-L70 HydrophobicContact CG2-CG 3.65Å; R66-L70 WeakPolarHBondContact O-CG 3.3Å; R66-L70 PolarHBondContact O-N 3.14Å; E68-L70 VanDerWaalsContact C-N 3.3Å; E68-L70 PolarHBondContact O-N 3.47Å; L70-H72 PolarHBondContact O-N 2.92Å; L70-H73 WeakPolarHBondContact O-CB 3.47Å; L70-H73 PolarHBondContact O-N 3.25Å; L70-H73 VanDerWaalsContact O-N 3.13Å; L70-C79 PolarHBondContact O-SG 2.99Å; L70-C79 VanDerWaalsContact O-SG 3.36Å; L70-V82 HydrophobicContact CD1-CB 4.47Å; L70-V82 HydrophobicContact CD1-CG1 4Å; L70-V82 HydrophobicContact CD2-CB 4.46Å; L70-V82 HydrophobicContact CD2-CG1 4.25Å; L70-L83 HydrophobicContact CD1-CD2 3.63Å; L70-L83 HydrophobicContact CD1-CG 3.78Å |
| 71 | K | 83.4 | Confident | 84.2 | Confident | 168 Ų | 168 | 82.3 Ų | 82.3 | 73% | 0.73 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -24.5 | 176 | -73.9 | 177.8 | -177.9 | 175.7 | 0 | 112.8 | A67 E68 L69 H73 | A67-K71 PolarHBondContact O-N 3.32Å; E68-K71 WeakPolarHBondContact O-CB 3.33Å; E68-K71 PolarHBondContact O-N 2.91Å; L69-K71 PolarHBondContact O-N 2.99Å; K71-H73 VanDerWaalsContact C-N 3.34Å |
| 72 | H | 76.3 | Confident | 84.6 | Confident | 137 Ų | 137 | 76.4 Ų | 76.4 | 63% | 0.634 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -11.1 | -179.9 | -68 | -66.9 | 0 | 0 | 0 | 113.2 | W49 I53 L69 L70 | W49-H72 WeakPolarHBondContact CH2-O 3.39Å; I53-H72 HydrophobicContact CD1-CB 4.3Å; L69-H72 PolarHBondContact O-N 2.9Å; L70-H72 PolarHBondContact O-N 2.92Å |
| 73 | H | 83.8 | Confident | 84.8 | Confident | 18 Ų | 18 | 78.8 Ų | 78.8 | 8% | 0.083 | 42% | 0.419 | C | S | . | . | trans | -78 | 144.8 | -176.3 | -161.7 | -89.7 | 0 | 0 | 0 | 112.2 | Q50 I53 L70 K71 D75 C79 | Q50-H73 WeakPolarHBondContact CB-NE2 3.34Å; Q50-H73 WeakPolarHBondContact CG-NE2 3.41Å; I53-H73 HydrophobicContact CG2-CB 4.41Å; L70-H73 WeakPolarHBondContact O-CB 3.47Å; L70-H73 PolarHBondContact O-N 3.25Å; L70-H73 VanDerWaalsContact O-N 3.13Å; K71-H73 VanDerWaalsContact C-N 3.34Å; H73-D75 PolarHBondContact ND1-N 3.03Å; H73-D75 VanDerWaalsContact ND1-N 3.2Å; H73-D75 PolarHBondContact ND1-O 3.36Å; H73-C79 WeakPolarHBondContact CB-SG 3.38Å | ||
| 74 | T | 77.3 | Confident | 85.3 | Confident | 102 Ų | 102 | 78.4 Ų | 78.4 | 63% | 0.626 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -84.9 | -17.5 | -174.8 | 47.7 | 0 | 0 | 0 | 0 | 114.6 | W49 Q50 | W49-T74 HydrophobicContact CH2-CG2 3.94Å; W49-T74 HydrophobicContact CZ3-CG2 3.76Å; Q50-T74 PolarHBondContact NE2-OG1 3.04Å |
| 75 | D | 82.5 | Confident | 85.6 | Confident | 53 Ų | 53 | 79 Ų | 79 | 28% | 0.283 | 41% | 0.412 | S | S | . | . | trans | -106.1 | 112.7 | -179.5 | -173.4 | -30.3 | 0 | 0 | 0 | 110.2 | H73 E77 V78 C79 | H73-D75 PolarHBondContact ND1-N 3.03Å; H73-D75 VanDerWaalsContact ND1-N 3.2Å; H73-D75 PolarHBondContact ND1-O 3.36Å; D75-E77 PolarHBondContact OD1-N 3.44Å; D75-V78 HydrophobicContact CB-CB 4.17Å; D75-V78 HydrophobicContact CB-CG2 4.15Å; D75-V78 VanDerWaalsContact CG-CG2 3.47Å; D75-V78 PolarHBondContact OD1-N 3.4Å; D75-V78 VanDerWaalsContact OD1-N 3.12Å; D75-V78 WeakPolarHBondContact OD2-CG2 3.5Å; D75-C79 PolarHBondContact O-N 3.26Å; D75-C79 PolarHBondContact O-SG 2.9Å; D75-C79 VanDerWaalsContact O-SG 3.42Å | ||
| 76 | E | 84 | Confident | 85.8 | Confident | 170 Ų | 170 | 76.6 Ų | 76.6 | 79% | 0.794 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -75.1 | -32.7 | -175.5 | -169.5 | 170.8 | -167.4 | 0 | 0 | 112.4 | C79 A80 | E76-C79 PolarHBondContact O-N 3Å; E76-A80 WeakPolarHBondContact O-CB 3.12Å; E76-A80 PolarHBondContact O-N 3.34Å |
| 77 | E | 84.9 | Confident | 85.9 | Confident | 164 Ų | 164 | 77.4 Ų | 77.4 | 77% | 0.766 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -68.1 | -42 | 178.9 | -63.6 | -174.5 | 177.9 | 0 | 0 | 110.6 | D75 A80 L81 | D75-E77 PolarHBondContact OD1-N 3.44Å; E77-A80 PolarHBondContact O-N 3.46Å; E77-L81 WeakPolarHBondContact O-CB 3.32Å; E77-L81 PolarHBondContact O-N 2.86Å |
| 78 | V | 85.6 | Confident | 86.4 | Confident | 43 Ų | 43 | 82.1 Ų | 82.1 | 26% | 0.261 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 175.5 | 172.4 | 0 | 0 | 0 | 0 | 111 | L54 D75 L81 V82 | L54-V78 HydrophobicContact CD1-CG1 4.07Å; L54-V78 HydrophobicContact CD2-CG1 4.02Å; D75-V78 HydrophobicContact CB-CB 4.17Å; D75-V78 HydrophobicContact CB-CG2 4.15Å; D75-V78 VanDerWaalsContact CG-CG2 3.47Å; D75-V78 PolarHBondContact OD1-N 3.4Å; D75-V78 VanDerWaalsContact OD1-N 3.12Å; D75-V78 WeakPolarHBondContact OD2-CG2 3.5Å; V78-L81 PolarHBondContact O-N 2.93Å; V78-V82 HydrophobicContact CG1-CG2 4.44Å; V78-V82 VanDerWaalsContact O-CG2 3.26Å; V78-V82 WeakPolarHBondContact O-CG2 3.32Å; V78-V82 PolarHBondContact O-N 3.35Å |
| 79 | C | 86.8 | Confident | 86.7 | Confident | 17 Ų | 17 | 80.8 Ų | 80.8 | 12% | 0.115 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 176.4 | -75.7 | 0 | 0 | 0 | 0 | 112.8 | L70 H73 D75 E76 L81 V82 L83 | L70-C79 PolarHBondContact O-SG 2.99Å; L70-C79 VanDerWaalsContact O-SG 3.36Å; H73-C79 WeakPolarHBondContact CB-SG 3.38Å; D75-C79 PolarHBondContact O-N 3.26Å; D75-C79 PolarHBondContact O-SG 2.9Å; D75-C79 VanDerWaalsContact O-SG 3.42Å; E76-C79 PolarHBondContact O-N 3Å; C79-L81 VanDerWaalsContact C-N 3.32Å; C79-L81 PolarHBondContact O-N 3.28Å; C79-V82 PolarHBondContact O-N 2.95Å; C79-L83 WeakPolarHBondContact O-CB 3.34Å; C79-L83 WeakPolarHBondContact O-CG 3.42Å; C79-L83 PolarHBondContact O-N 2.88Å |
| 80 | A | 87.8 | Confident | 87 | Confident | 61 Ų | 61 | 85.2 Ų | 85.2 | 50% | 0.504 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E76 E77 S84 | E76-A80 WeakPolarHBondContact O-CB 3.12Å; E76-A80 PolarHBondContact O-N 3.34Å; E77-A80 PolarHBondContact O-N 3.46Å; A80-S84 WeakPolarHBondContact O-CB 3.48Å; A80-S84 PolarHBondContact O-N 2.87Å |
| 81 | L | 90.1 | Very high | 87.4 | Confident | 107 Ų | 107 | 88.1 Ų | 88.1 | 56% | 0.56 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64 | -45.6 | 177.1 | -179.4 | 61.5 | 0 | 0 | 0 | 112 | E77 V78 C79 S84 I85 | E77-L81 WeakPolarHBondContact O-CB 3.32Å; E77-L81 PolarHBondContact O-N 2.86Å; V78-L81 PolarHBondContact O-N 2.93Å; C79-L81 VanDerWaalsContact C-N 3.32Å; C79-L81 PolarHBondContact O-N 3.28Å; L81-S84 PolarHBondContact O-N 2.93Å; L81-I85 HydrophobicContact CD1-CD1 4.01Å; L81-I85 HydrophobicContact CD1-CG1 4.29Å; L81-I85 HydrophobicContact CG-CD1 3.91Å; L81-I85 WeakPolarHBondContact O-CG1 3.33Å; L81-I85 PolarHBondContact O-N 2.93Å |
| 82 | V | 89.6 | Confident | 87.9 | Confident | 24 Ų | 24 | 85.4 Ų | 85.4 | 15% | 0.145 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.1 | -44 | 179.7 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | L54 V57 L70 V78 C79 S84 I85 L86 | L54-V82 HydrophobicContact CD2-CG2 3.67Å; V57-V82 HydrophobicContact CG1-CG1 4.09Å; L70-V82 HydrophobicContact CD1-CB 4.47Å; L70-V82 HydrophobicContact CD1-CG1 4Å; L70-V82 HydrophobicContact CD2-CB 4.46Å; L70-V82 HydrophobicContact CD2-CG1 4.25Å; V78-V82 HydrophobicContact CG1-CG2 4.44Å; V78-V82 VanDerWaalsContact O-CG2 3.26Å; V78-V82 WeakPolarHBondContact O-CG2 3.32Å; V78-V82 PolarHBondContact O-N 3.35Å; C79-V82 PolarHBondContact O-N 2.95Å; V82-S84 VanDerWaalsContact C-N 3.32Å; V82-S84 PolarHBondContact O-N 3.26Å; V82-I85 PolarHBondContact O-N 3.46Å; V82-L86 HydrophobicContact CG1-CD1 3.91Å; V82-L86 HydrophobicContact CG1-CG 4.36Å; V82-L86 WeakPolarHBondContact O-CB 3.44Å; V82-L86 VanDerWaalsContact O-CG 3.28Å; V82-L86 WeakPolarHBondContact O-CG 3.42Å; V82-L86 PolarHBondContact O-N 2.93Å |
| 83 | L | 87.9 | Confident | 88.8 | Confident | 81 Ų | 81 | 82.2 Ų | 82.2 | 42% | 0.424 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 174.8 | -72.1 | 172.1 | 0 | 0 | 0 | 111.7 | L70 C79 L86 D87 | L70-L83 HydrophobicContact CD1-CD2 3.63Å; L70-L83 HydrophobicContact CD1-CG 3.78Å; C79-L83 WeakPolarHBondContact O-CB 3.34Å; C79-L83 WeakPolarHBondContact O-CG 3.42Å; C79-L83 PolarHBondContact O-N 2.88Å; L83-L86 PolarHBondContact O-N 3.29Å; L83-D87 WeakPolarHBondContact O-CB 3.39Å; L83-D87 PolarHBondContact O-N 3.29Å |
| 84 | S | 91.2 | Very high | 89.3 | Confident | 74 Ų | 74 | 84.7 Ų | 84.7 | 52% | 0.517 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 176.8 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | A80 L81 V82 D87 K88 | A80-S84 WeakPolarHBondContact O-CB 3.48Å; A80-S84 PolarHBondContact O-N 2.87Å; L81-S84 PolarHBondContact O-N 2.93Å; V82-S84 VanDerWaalsContact C-N 3.32Å; V82-S84 PolarHBondContact O-N 3.26Å; S84-D87 PolarHBondContact O-N 2.87Å; S84-K88 WeakPolarHBondContact O-CB 3.45Å; S84-K88 PolarHBondContact O-N 3.43Å |
| 85 | I | 91.1 | Very high | 90.2 | Very high | 89 Ų | 89 | 82.1 Ų | 82.1 | 46% | 0.456 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 176.8 | -69 | 167.7 | 0 | 0 | 0 | 110.5 | L81 V82 D87 K88 V89 | L81-I85 HydrophobicContact CD1-CD1 4.01Å; L81-I85 HydrophobicContact CD1-CG1 4.29Å; L81-I85 HydrophobicContact CG-CD1 3.91Å; L81-I85 WeakPolarHBondContact O-CG1 3.33Å; L81-I85 PolarHBondContact O-N 2.93Å; V82-I85 PolarHBondContact O-N 3.46Å; I85-D87 VanDerWaalsContact C-N 3.34Å; I85-D87 PolarHBondContact O-N 2.83Å; I85-K88 PolarHBondContact O-N 2.83Å; I85-V89 HydrophobicContact CG2-CG2 4.3Å; I85-V89 WeakPolarHBondContact O-CB 3.36Å; I85-V89 WeakPolarHBondContact O-CG2 3.49Å; I85-V89 PolarHBondContact O-N 3.05Å |
| 86 | L | 89.8 | Confident | 90.9 | Very high | 43 Ų | 43 | 84.6 Ų | 84.6 | 23% | 0.225 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 178.4 | -73.4 | 172.1 | 0 | 0 | 0 | 111.9 | V57 R66 V82 L83 R90 | V57-L86 HydrophobicContact CG1-CD1 4.26Å; R66-L86 HydrophobicContact CB-CD1 4.38Å; V82-L86 HydrophobicContact CG1-CD1 3.91Å; V82-L86 HydrophobicContact CG1-CG 4.36Å; V82-L86 WeakPolarHBondContact O-CB 3.44Å; V82-L86 VanDerWaalsContact O-CG 3.28Å; V82-L86 WeakPolarHBondContact O-CG 3.42Å; V82-L86 PolarHBondContact O-N 2.93Å; L83-L86 PolarHBondContact O-N 3.29Å; L86-R90 VanDerWaalsContact O-CB 3.26Å; L86-R90 WeakPolarHBondContact O-CB 3.45Å; L86-R90 PolarHBondContact O-N 2.94Å |
| 87 | D | 90.4 | Very high | 91.5 | Very high | 74 Ų | 74 | 81.5 Ų | 81.5 | 40% | 0.396 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 175.4 | -173.1 | 55 | 0 | 0 | 0 | 111.9 | L83 S84 I85 R90 T91 | L83-D87 WeakPolarHBondContact O-CB 3.39Å; L83-D87 PolarHBondContact O-N 3.29Å; S84-D87 PolarHBondContact O-N 2.87Å; I85-D87 VanDerWaalsContact C-N 3.34Å; I85-D87 PolarHBondContact O-N 2.83Å; D87-R90 PolarHBondContact O-N 3.28Å; D87-R90 IonicContact OD1-CZ 3.47Å; D87-R90 IonicContact OD1-NE 3.51Å; D87-R90 IonicContact OD1-NH2 2.67Å; D87-R90 PolarHBondContact OD1-NH2 3.18Å; D87-T91 WeakPolarHBondContact O-CB 3.49Å; D87-T91 VanDerWaalsContact O-CG2 3.3Å; D87-T91 WeakPolarHBondContact O-CG2 3.46Å; D87-T91 PolarHBondContact O-N 2.99Å; D87-T91 PolarHBondContact O-OG1 3.29Å |
| 88 | K | 94.5 | Very high | 92.1 | Very high | 138 Ų | 138 | 78.5 Ų | 78.5 | 60% | 0.6 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.6 | -47.5 | 176.3 | -171.1 | 174.6 | -179.8 | -176.5 | 0 | 112.1 | S84 I85 R90 T91 E92 | S84-K88 WeakPolarHBondContact O-CB 3.45Å; S84-K88 PolarHBondContact O-N 3.43Å; I85-K88 PolarHBondContact O-N 2.83Å; K88-R90 VanDerWaalsContact C-N 3.32Å; K88-R90 PolarHBondContact O-N 3.42Å; K88-T91 WeakPolarHBondContact CA-OG1 3.32Å; K88-T91 PolarHBondContact O-N 3.29Å; K88-T91 PolarHBondContact O-OG1 3.48Å; K88-E92 VanDerWaalsContact O-CB 3.25Å; K88-E92 WeakPolarHBondContact O-CB 3.5Å; K88-E92 PolarHBondContact O-N 3.37Å |
| 89 | V | 92.9 | Very high | 92.7 | Very high | 79 Ų | 79 | 80.9 Ų | 80.9 | 48% | 0.479 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 176.7 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | I85 T93 | I85-V89 HydrophobicContact CG2-CG2 4.3Å; I85-V89 WeakPolarHBondContact O-CB 3.36Å; I85-V89 WeakPolarHBondContact O-CG2 3.49Å; I85-V89 PolarHBondContact O-N 3.05Å; V89-T93 VanDerWaalsContact O-CB 3.23Å; V89-T93 WeakPolarHBondContact O-CB 3.39Å; V89-T93 PolarHBondContact O-N 3.12Å; V89-T93 PolarHBondContact O-OG1 3.02Å |
| 90 | R | 91 | Very high | 93.2 | Very high | 140 Ų | 140 | 84.2 Ų | 84.2 | 53% | 0.528 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.9 | -48.5 | 177.2 | 179.7 | -176.8 | 67.4 | 155.7 | 1.2 | 111.7 | L86 D87 K88 T94 | L86-R90 VanDerWaalsContact O-CB 3.26Å; L86-R90 WeakPolarHBondContact O-CB 3.45Å; L86-R90 PolarHBondContact O-N 2.94Å; D87-R90 PolarHBondContact O-N 3.28Å; D87-R90 IonicContact OD1-CZ 3.47Å; D87-R90 IonicContact OD1-NE 3.51Å; D87-R90 IonicContact OD1-NH2 2.67Å; D87-R90 PolarHBondContact OD1-NH2 3.18Å; K88-R90 VanDerWaalsContact C-N 3.32Å; K88-R90 PolarHBondContact O-N 3.42Å; R90-T94 VanDerWaalsContact O-CB 3.3Å; R90-T94 WeakPolarHBondContact O-CB 3.31Å; R90-T94 PolarHBondContact O-N 2.89Å; R90-T94 PolarHBondContact O-OG1 3.35Å |
| 91 | T | 93.8 | Very high | 93.6 | Very high | 69 Ų | 69 | 87.4 Ų | 87.4 | 42% | 0.423 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.2 | -42.8 | -178.1 | 49.4 | 0 | 0 | 0 | 0 | 111.4 | D87 K88 T94 A95 | D87-T91 WeakPolarHBondContact O-CB 3.49Å; D87-T91 VanDerWaalsContact O-CG2 3.3Å; D87-T91 WeakPolarHBondContact O-CG2 3.46Å; D87-T91 PolarHBondContact O-N 2.99Å; D87-T91 PolarHBondContact O-OG1 3.29Å; K88-T91 WeakPolarHBondContact CA-OG1 3.32Å; K88-T91 PolarHBondContact O-N 3.29Å; K88-T91 PolarHBondContact O-OG1 3.48Å; T91-T94 PolarHBondContact O-N 3.28Å; T91-A95 WeakPolarHBondContact O-CB 3.28Å; T91-A95 PolarHBondContact O-N 2.99Å |
| 92 | E | 95.4 | Very high | 94 | Very high | 110 Ų | 110 | 87.1 Ų | 87.1 | 51% | 0.514 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 174.9 | -170.5 | 167.4 | -164.5 | 0 | 0 | 111.7 | K88 T94 A95 D96 | K88-E92 VanDerWaalsContact O-CB 3.25Å; K88-E92 WeakPolarHBondContact O-CB 3.5Å; K88-E92 PolarHBondContact O-N 3.37Å; E92-T94 VanDerWaalsContact C-N 3.33Å; E92-T94 PolarHBondContact O-N 3.25Å; E92-A95 WeakPolarHBondContact O-CB 3.32Å; E92-A95 PolarHBondContact O-N 2.82Å; E92-D96 PolarHBondContact O-N 3.14Å |
| 93 | T | 94 | Very high | 94.4 | Very high | 71 Ų | 71 | 95.4 Ų | 95.4 | 44% | 0.436 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 177.3 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | V89 D96 L97 | V89-T93 VanDerWaalsContact O-CB 3.23Å; V89-T93 WeakPolarHBondContact O-CB 3.39Å; V89-T93 PolarHBondContact O-N 3.12Å; V89-T93 PolarHBondContact O-OG1 3.02Å; T93-D96 PolarHBondContact O-N 2.87Å; T93-L97 HydrophobicContact CG2-CD1 4.26Å; T93-L97 WeakPolarHBondContact O-CB 3.42Å; T93-L97 WeakPolarHBondContact O-CG 3.4Å; T93-L97 PolarHBondContact O-N 3.47Å |
| 94 | T | 95.3 | Very high | 94.9 | Very high | 69 Ų | 69 | 98.4 Ų | 98.4 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.8 | -41 | 176.7 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | R90 T91 E92 L97 N98 | R90-T94 VanDerWaalsContact O-CB 3.3Å; R90-T94 WeakPolarHBondContact O-CB 3.31Å; R90-T94 PolarHBondContact O-N 2.89Å; R90-T94 PolarHBondContact O-OG1 3.35Å; T91-T94 PolarHBondContact O-N 3.28Å; E92-T94 VanDerWaalsContact C-N 3.33Å; E92-T94 PolarHBondContact O-N 3.25Å; T94-L97 PolarHBondContact O-N 2.97Å; T94-N98 WeakPolarHBondContact O-CB 3.49Å; T94-N98 PolarHBondContact O-N 3.39Å; T94-N98 PolarHBondContact O-ND2 2.96Å |
| 95 | A | 96.4 | Very high | 95.1 | Very high | 48 Ų | 48 | 97.8 Ų | 97.8 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T91 E92 N98 V99 | T91-A95 WeakPolarHBondContact O-CB 3.28Å; T91-A95 PolarHBondContact O-N 2.99Å; E92-A95 WeakPolarHBondContact O-CB 3.32Å; E92-A95 PolarHBondContact O-N 2.82Å; A95-N98 WeakPolarHBondContact O-CB 3.29Å; A95-N98 PolarHBondContact O-N 3.04Å; A95-V99 WeakPolarHBondContact O-CG2 3.32Å; A95-V99 PolarHBondContact O-N 2.73Å |
| 96 | D | 96.7 | Very high | 95.5 | Very high | 105 Ų | 105 | 98.8 Ų | 98.8 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62 | -44.2 | 177.4 | -77.1 | -13.8 | 0 | 0 | 0 | 112.2 | E92 T93 N98 V99 L100 | E92-D96 PolarHBondContact O-N 3.14Å; T93-D96 PolarHBondContact O-N 2.87Å; D96-N98 VanDerWaalsContact C-N 3.33Å; D96-N98 PolarHBondContact O-N 3.33Å; D96-V99 PolarHBondContact O-N 3Å; D96-L100 WeakPolarHBondContact O-CB 3.49Å; D96-L100 PolarHBondContact O-N 3.47Å |
| 97 | L | 97.1 | Very high | 95.8 | Very high | 106 Ų | 106 | 99.1 Ų | 99.1 | 56% | 0.555 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.9 | -39.8 | 175.2 | -75.6 | 174.2 | 0 | 0 | 0 | 111.9 | T93 T94 L100 H101 | T93-L97 HydrophobicContact CG2-CD1 4.26Å; T93-L97 WeakPolarHBondContact O-CB 3.42Å; T93-L97 WeakPolarHBondContact O-CG 3.4Å; T93-L97 PolarHBondContact O-N 3.47Å; T94-L97 PolarHBondContact O-N 2.97Å; L97-L100 PolarHBondContact O-N 3.42Å; L97-H101 VanDerWaalsContact O-CB 3.28Å; L97-H101 WeakPolarHBondContact O-CB 3.47Å; L97-H101 PolarHBondContact O-N 3.41Å |
| 98 | N | 97.1 | Very high | 96.2 | Very high | 101 Ų | 101 | 98.3 Ų | 98.3 | 54% | 0.54 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 176.2 | -73.8 | -20.8 | 0 | 0 | 0 | 111.6 | T94 A95 D96 L100 H101 E102 | T94-N98 WeakPolarHBondContact O-CB 3.49Å; T94-N98 PolarHBondContact O-N 3.39Å; T94-N98 PolarHBondContact O-ND2 2.96Å; A95-N98 WeakPolarHBondContact O-CB 3.29Å; A95-N98 PolarHBondContact O-N 3.04Å; D96-N98 VanDerWaalsContact C-N 3.33Å; D96-N98 PolarHBondContact O-N 3.33Å; N98-L100 VanDerWaalsContact C-N 3.34Å; N98-L100 PolarHBondContact O-N 3.01Å; N98-H101 PolarHBondContact O-N 2.95Å; N98-E102 WeakPolarHBondContact O-CB 3.5Å; N98-E102 PolarHBondContact O-N 2.86Å |
| 99 | V | 97.5 | Very high | 96.3 | Very high | 92 Ų | 92 | 95.8 Ų | 95.8 | 56% | 0.558 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.7 | -43.2 | 176.2 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | A95 D96 E102 R103 | A95-V99 WeakPolarHBondContact O-CG2 3.32Å; A95-V99 PolarHBondContact O-N 2.73Å; D96-V99 PolarHBondContact O-N 3Å; V99-E102 PolarHBondContact O-N 2.89Å; V99-R103 VanDerWaalsContact O-CB 3.32Å; V99-R103 WeakPolarHBondContact O-CB 3.35Å; V99-R103 PolarHBondContact O-N 3.25Å |
| 100 | L | 97.5 | Very high | 96.6 | Very high | 87 Ų | 87 | 96.8 Ų | 96.8 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 177.8 | -172.5 | 155 | 0 | 0 | 0 | 111.4 | D96 L97 N98 R103 K104 | D96-L100 WeakPolarHBondContact O-CB 3.49Å; D96-L100 PolarHBondContact O-N 3.47Å; L97-L100 PolarHBondContact O-N 3.42Å; N98-L100 VanDerWaalsContact C-N 3.34Å; N98-L100 PolarHBondContact O-N 3.01Å; L100-R103 PolarHBondContact O-N 3.19Å; L100-K104 HydrophobicContact CD2-CD 3.67Å; L100-K104 VanDerWaalsContact CD2-CE 3.5Å; L100-K104 HydrophobicContact CD2-CG 4.13Å; L100-K104 WeakPolarHBondContact O-CB 3.46Å; L100-K104 WeakPolarHBondContact O-CG 3.38Å; L100-K104 PolarHBondContact O-N 3.01Å |
| 101 | H | 97.2 | Very high | 96.9 | Very high | 129 Ų | 129 | 94.7 Ų | 94.7 | 60% | 0.597 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63 | -46.8 | 176.4 | 178.5 | -91.1 | 0 | 0 | 0 | 111.5 | L97 N98 R103 K104 S105 | L97-H101 VanDerWaalsContact O-CB 3.28Å; L97-H101 WeakPolarHBondContact O-CB 3.47Å; L97-H101 PolarHBondContact O-N 3.41Å; N98-H101 PolarHBondContact O-N 2.95Å; H101-R103 VanDerWaalsContact C-N 3.32Å; H101-R103 PolarHBondContact O-N 3.25Å; H101-K104 PolarHBondContact O-N 3.34Å; H101-S105 VanDerWaalsContact O-CB 3.3Å; H101-S105 WeakPolarHBondContact O-CB 3.41Å; H101-S105 PolarHBondContact O-N 2.99Å |
| 102 | E | 97.8 | Very high | 97.1 | Very high | 100 Ų | 100 | 97.6 Ų | 97.6 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 176.7 | -172.8 | -178 | 177.2 | 0 | 0 | 111 | N98 V99 S105 K106 | N98-E102 WeakPolarHBondContact O-CB 3.5Å; N98-E102 PolarHBondContact O-N 2.86Å; V99-E102 PolarHBondContact O-N 2.89Å; E102-S105 PolarHBondContact O-N 3.42Å; E102-K106 HydrophobicContact CG-CD 4.28Å; E102-K106 WeakPolarHBondContact O-CB 3.35Å; E102-K106 VanDerWaalsContact O-CG 3.32Å; E102-K106 WeakPolarHBondContact O-CG 3.47Å; E102-K106 PolarHBondContact O-N 2.94Å; E102-K106 WeakPolarHBondContact OE1-CE 3.48Å; E102-K106 IonicContact OE1-NZ 3.88Å; E102-K106 PolarHBondContact OE1-NZ 3.48Å |
| 103 | R | 97.7 | Very high | 97.2 | Very high | 198 Ų | 198 | 97.7 Ų | 97.7 | 75% | 0.747 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.4 | -45 | 176.7 | -173.6 | 177.4 | -179.1 | 172.2 | 1.1 | 112.4 | V99 L100 H101 K106 S107 | V99-R103 VanDerWaalsContact O-CB 3.32Å; V99-R103 WeakPolarHBondContact O-CB 3.35Å; V99-R103 PolarHBondContact O-N 3.25Å; L100-R103 PolarHBondContact O-N 3.19Å; H101-R103 VanDerWaalsContact C-N 3.32Å; H101-R103 PolarHBondContact O-N 3.25Å; R103-K106 PolarHBondContact O-N 3.39Å; R103-S107 WeakPolarHBondContact O-CB 3.47Å; R103-S107 PolarHBondContact O-N 3.03Å |
| 104 | K | 97.6 | Very high | 97.4 | Very high | 144 Ų | 144 | 99.5 Ų | 99.5 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.6 | -43 | 176.9 | -79.1 | -172.7 | 176.3 | 178.2 | 0 | 111.7 | L100 H101 S107 A108 | L100-K104 HydrophobicContact CD2-CD 3.67Å; L100-K104 VanDerWaalsContact CD2-CE 3.5Å; L100-K104 HydrophobicContact CD2-CG 4.13Å; L100-K104 WeakPolarHBondContact O-CB 3.46Å; L100-K104 WeakPolarHBondContact O-CG 3.38Å; L100-K104 PolarHBondContact O-N 3.01Å; H101-K104 PolarHBondContact O-N 3.34Å; K104-S107 PolarHBondContact O-N 3.35Å; K104-A108 WeakPolarHBondContact O-CB 3.32Å; K104-A108 PolarHBondContact O-N 3.05Å |
| 105 | S | 97.3 | Very high | 97.6 | Very high | 61 Ų | 61 | 101.9 Ų | 101.9 | 43% | 0.427 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.2 | -49.4 | 176.6 | -177.8 | 0 | 0 | 0 | 0 | 111.2 | H101 E102 S107 A108 V109 | H101-S105 VanDerWaalsContact O-CB 3.3Å; H101-S105 WeakPolarHBondContact O-CB 3.41Å; H101-S105 PolarHBondContact O-N 2.99Å; E102-S105 PolarHBondContact O-N 3.42Å; S105-S107 PolarHBondContact O-N 2.96Å; S105-A108 PolarHBondContact O-N 3.16Å; S105-V109 WeakPolarHBondContact O-CG2 3.47Å; S105-V109 PolarHBondContact O-N 2.94Å |
| 106 | K | 98 | Very high | 97.7 | Very high | 110 Ų | 110 | 102.1 Ų | 102.1 | 48% | 0.478 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.7 | -48.8 | 175.7 | -73.9 | 175.8 | -176.8 | 172.1 | 0 | 112.2 | E102 R103 A108 V109 E110 | E102-K106 HydrophobicContact CG-CD 4.28Å; E102-K106 WeakPolarHBondContact O-CB 3.35Å; E102-K106 VanDerWaalsContact O-CG 3.32Å; E102-K106 WeakPolarHBondContact O-CG 3.47Å; E102-K106 PolarHBondContact O-N 2.94Å; E102-K106 WeakPolarHBondContact OE1-CE 3.48Å; E102-K106 IonicContact OE1-NZ 3.88Å; E102-K106 PolarHBondContact OE1-NZ 3.48Å; R103-K106 PolarHBondContact O-N 3.39Å; K106-A108 VanDerWaalsContact C-N 3.31Å; K106-A108 PolarHBondContact O-N 2.88Å; K106-V109 PolarHBondContact O-N 3.41Å; K106-E110 WeakPolarHBondContact O-CG 3.37Å; K106-E110 PolarHBondContact O-N 3.48Å |
| 107 | S | 97.4 | Very high | 97.7 | Very high | 51 Ų | 51 | 102.2 Ų | 102.2 | 36% | 0.357 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59 | -41.8 | 178.3 | -168.1 | 0 | 0 | 0 | 0 | 112.4 | R103 K104 S105 E110 E111 | R103-S107 WeakPolarHBondContact O-CB 3.47Å; R103-S107 PolarHBondContact O-N 3.03Å; K104-S107 PolarHBondContact O-N 3.35Å; S105-S107 PolarHBondContact O-N 2.96Å; S107-E110 PolarHBondContact O-N 3.42Å; S107-E111 WeakPolarHBondContact O-CB 3.34Å; S107-E111 WeakPolarHBondContact O-CG 3.33Å; S107-E111 PolarHBondContact O-N 3.25Å |
| 108 | A | 97.8 | Very high | 97.8 | Very high | 56 Ų | 56 | 101.7 Ų | 101.7 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.9 | -38.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | K104 S105 K106 H112 | K104-A108 WeakPolarHBondContact O-CB 3.32Å; K104-A108 PolarHBondContact O-N 3.05Å; S105-A108 PolarHBondContact O-N 3.16Å; K106-A108 VanDerWaalsContact C-N 3.31Å; K106-A108 PolarHBondContact O-N 2.88Å; A108-H112 WeakPolarHBondContact O-CB 3.21Å; A108-H112 PolarHBondContact O-N 3.29Å |
| 109 | V | 97.9 | Very high | 97.8 | Very high | 86 Ų | 86 | 102.9 Ų | 102.9 | 52% | 0.521 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -47.5 | 174.9 | 172 | 0 | 0 | 0 | 0 | 110.6 | S105 K106 E111 H112 E113 | S105-V109 WeakPolarHBondContact O-CG2 3.47Å; S105-V109 PolarHBondContact O-N 2.94Å; K106-V109 PolarHBondContact O-N 3.41Å; V109-E111 VanDerWaalsContact C-N 3.35Å; V109-E111 PolarHBondContact O-N 2.93Å; V109-H112 PolarHBondContact O-N 3.46Å; V109-E113 WeakPolarHBondContact O-CB 3.48Å; V109-E113 PolarHBondContact O-N 2.86Å |
| 110 | E | 98.1 | Very high | 97.9 | Very high | 99 Ų | 99 | 104.4 Ų | 104.4 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 178.1 | -71.1 | 172.7 | -166.8 | 0 | 0 | 112.4 | K106 S107 R114 | K106-E110 WeakPolarHBondContact O-CG 3.37Å; K106-E110 PolarHBondContact O-N 3.48Å; S107-E110 PolarHBondContact O-N 3.42Å; E110-R114 WeakPolarHBondContact O-CB 3.24Å; E110-R114 WeakPolarHBondContact O-CG 3.38Å; E110-R114 PolarHBondContact O-N 2.9Å; E110-R114 IonicContact OE2-NH1 3.88Å |
| 111 | E | 98 | Very high | 97.9 | Very high | 96 Ų | 96 | 103.9 Ų | 103.9 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 174.3 | -78.3 | 177.2 | -175.8 | 0 | 0 | 112 | S107 V109 R114 H115 | S107-E111 WeakPolarHBondContact O-CB 3.34Å; S107-E111 WeakPolarHBondContact O-CG 3.33Å; S107-E111 PolarHBondContact O-N 3.25Å; V109-E111 VanDerWaalsContact C-N 3.35Å; V109-E111 PolarHBondContact O-N 2.93Å; E111-R114 PolarHBondContact O-N 3.14Å; E111-H115 PolarHBondContact O-CD2 2.92Å; E111-H115 PolarHBondContact O-N 3.15Å |
| 112 | H | 97.8 | Very high | 98 | Very high | 131 Ų | 131 | 103.1 Ų | 103.1 | 61% | 0.606 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.7 | -44.2 | 177.1 | -175.8 | 57.6 | 0 | 0 | 0 | 111.8 | A108 V109 H115 V116 | A108-H112 WeakPolarHBondContact O-CB 3.21Å; A108-H112 PolarHBondContact O-N 3.29Å; V109-H112 PolarHBondContact O-N 3.46Å; H112-H115 PolarHBondContact O-N 2.93Å; H112-V116 WeakPolarHBondContact O-CG2 3.47Å; H112-V116 PolarHBondContact O-N 3.12Å |
| 113 | E | 98.2 | Very high | 98 | Very high | 111 Ų | 111 | 103.7 Ų | 103.7 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 177.2 | -170.7 | 168 | -150.7 | 0 | 0 | 111.2 | V109 H115 V116 E117 | V109-E113 WeakPolarHBondContact O-CB 3.48Å; V109-E113 PolarHBondContact O-N 2.86Å; E113-H115 VanDerWaalsContact C-N 3.35Å; E113-H115 PolarHBondContact O-N 3.4Å; E113-V116 PolarHBondContact O-N 3.34Å; E113-V116 VanDerWaalsContact O-N 3.15Å; E113-E117 WeakPolarHBondContact O-CG 3.27Å; E113-E117 PolarHBondContact O-N 3.21Å |
| 114 | R | 98.2 | Very high | 98 | Very high | 110 Ų | 110 | 98.5 Ų | 98.5 | 42% | 0.415 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.7 | -46.1 | 173.3 | -76.1 | -170.8 | -65.2 | -97 | 5.1 | 112.4 | E110 E111 V116 E117 E118 | E110-R114 WeakPolarHBondContact O-CB 3.24Å; E110-R114 WeakPolarHBondContact O-CG 3.38Å; E110-R114 PolarHBondContact O-N 2.9Å; E110-R114 IonicContact OE2-NH1 3.88Å; E111-R114 PolarHBondContact O-N 3.14Å; R114-V116 VanDerWaalsContact C-N 3.31Å; R114-V116 PolarHBondContact O-N 3.27Å; R114-E117 PolarHBondContact O-N 3.31Å; R114-E118 WeakPolarHBondContact O-CB 3.49Å; R114-E118 WeakPolarHBondContact O-CG 3.28Å; R114-E118 PolarHBondContact O-N 3.13Å |
| 115 | H | 98.1 | Very high | 98 | Very high | 119 Ų | 119 | 97.2 Ų | 97.2 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.8 | -36.4 | 178.2 | -78.5 | -47.1 | 0 | 0 | 0 | 112.9 | E111 H112 E113 E118 L119 | E111-H115 PolarHBondContact O-CD2 2.92Å; E111-H115 PolarHBondContact O-N 3.15Å; H112-H115 PolarHBondContact O-N 2.93Å; E113-H115 VanDerWaalsContact C-N 3.35Å; E113-H115 PolarHBondContact O-N 3.4Å; H115-E118 IonicContact ND1-OE2 2.82Å; H115-L119 VanDerWaalsContact O-CB 3.31Å; H115-L119 WeakPolarHBondContact O-CB 3.35Å; H115-L119 PolarHBondContact O-N 3Å |
| 116 | V | 98.3 | Very high | 98.1 | Very high | 53 Ų | 53 | 100.4 Ų | 100.4 | 32% | 0.321 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.8 | -45.4 | 175.9 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | H112 E113 R114 L119 Q120 | H112-V116 WeakPolarHBondContact O-CG2 3.47Å; H112-V116 PolarHBondContact O-N 3.12Å; E113-V116 PolarHBondContact O-N 3.34Å; E113-V116 VanDerWaalsContact O-N 3.15Å; R114-V116 VanDerWaalsContact C-N 3.31Å; R114-V116 PolarHBondContact O-N 3.27Å; V116-L119 PolarHBondContact O-N 3.24Å; V116-Q120 HydrophobicContact CG1-CG 4.45Å; V116-Q120 WeakPolarHBondContact O-CB 3.39Å; V116-Q120 VanDerWaalsContact O-CG 3.3Å; V116-Q120 WeakPolarHBondContact O-CG 3.29Å; V116-Q120 PolarHBondContact O-N 3.4Å |
| 117 | E | 98.1 | Very high | 98.1 | Very high | 107 Ų | 107 | 100 Ų | 100 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 176.7 | -70.5 | 179.7 | 169 | 0 | 0 | 112.1 | E113 R114 L119 Q120 T121 | E113-E117 WeakPolarHBondContact O-CG 3.27Å; E113-E117 PolarHBondContact O-N 3.21Å; R114-E117 PolarHBondContact O-N 3.31Å; E117-L119 VanDerWaalsContact C-N 3.3Å; E117-L119 PolarHBondContact O-N 2.89Å; E117-Q120 PolarHBondContact O-N 3.07Å; E117-T121 WeakPolarHBondContact O-CB 3.48Å; E117-T121 VanDerWaalsContact O-CG2 3.3Å; E117-T121 WeakPolarHBondContact O-CG2 3.43Å; E117-T121 PolarHBondContact O-N 3.41Å; E117-T121 PolarHBondContact O-OG1 3.45Å |
| 118 | E | 98.1 | Very high | 98.1 | Very high | 94 Ų | 94 | 100.3 Ų | 100.3 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.2 | -39.7 | 174.7 | -76.3 | 177.3 | -171.9 | 0 | 0 | 112 | R114 H115 T121 K122 | R114-E118 WeakPolarHBondContact O-CB 3.49Å; R114-E118 WeakPolarHBondContact O-CG 3.28Å; R114-E118 PolarHBondContact O-N 3.13Å; H115-E118 IonicContact ND1-OE2 2.82Å; E118-T121 WeakPolarHBondContact CA-OG1 3.48Å; E118-T121 PolarHBondContact O-OG1 3.16Å; E118-K122 WeakPolarHBondContact O-CB 3.25Å; E118-K122 VanDerWaalsContact O-CG 3.31Å; E118-K122 WeakPolarHBondContact O-CG 3.29Å; E118-K122 PolarHBondContact O-N 3.48Å; E118-K122 VanDerWaalsContact O-N 3.08Å |
| 119 | L | 98.3 | Very high | 98.1 | Very high | 126 Ų | 126 | 102 Ų | 102 | 66% | 0.66 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -69.6 | -41.9 | 178.3 | -169.4 | 67 | 0 | 0 | 0 | 111.5 | H115 V116 E117 K122 H123 | H115-L119 VanDerWaalsContact O-CB 3.31Å; H115-L119 WeakPolarHBondContact O-CB 3.35Å; H115-L119 PolarHBondContact O-N 3Å; V116-L119 PolarHBondContact O-N 3.24Å; E117-L119 VanDerWaalsContact C-N 3.3Å; E117-L119 PolarHBondContact O-N 2.89Å; L119-K122 PolarHBondContact O-N 3.35Å; L119-H123 WeakPolarHBondContact O-CB 3.42Å; L119-H123 PolarHBondContact O-N 3.12Å |
| 120 | Q | 98.2 | Very high | 98.2 | Very high | 124 Ų | 124 | 103.3 Ų | 103.3 | 58% | 0.579 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.5 | -43.9 | 176.7 | -74.6 | 175.8 | -0.2 | 0 | 0 | 111.9 | V116 E117 H123 E124 | V116-Q120 HydrophobicContact CG1-CG 4.45Å; V116-Q120 WeakPolarHBondContact O-CB 3.39Å; V116-Q120 VanDerWaalsContact O-CG 3.3Å; V116-Q120 WeakPolarHBondContact O-CG 3.29Å; V116-Q120 PolarHBondContact O-N 3.4Å; E117-Q120 PolarHBondContact O-N 3.07Å; Q120-H123 PolarHBondContact O-N 2.89Å; Q120-E124 PolarHBondContact O-N 3Å |
| 121 | T | 98.3 | Very high | 98.2 | Very high | 77 Ų | 77 | 101.7 Ų | 101.7 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 178.3 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | E117 E118 E124 Q125 | E117-T121 WeakPolarHBondContact O-CB 3.48Å; E117-T121 VanDerWaalsContact O-CG2 3.3Å; E117-T121 WeakPolarHBondContact O-CG2 3.43Å; E117-T121 PolarHBondContact O-N 3.41Å; E117-T121 PolarHBondContact O-OG1 3.45Å; E118-T121 WeakPolarHBondContact CA-OG1 3.48Å; E118-T121 PolarHBondContact O-OG1 3.16Å; T121-E124 PolarHBondContact O-N 3.4Å; T121-Q125 WeakPolarHBondContact O-CB 3.23Å; T121-Q125 VanDerWaalsContact O-CG 3.22Å; T121-Q125 WeakPolarHBondContact O-CG 3.37Å; T121-Q125 PolarHBondContact O-N 3.12Å |
| 122 | K | 98.2 | Very high | 98.2 | Very high | 113 Ų | 113 | 103.7 Ų | 103.7 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 173.2 | -75 | 175.4 | -176.4 | 171.8 | 0 | 112.1 | E118 L119 E124 Q125 E126 | E118-K122 WeakPolarHBondContact O-CB 3.25Å; E118-K122 VanDerWaalsContact O-CG 3.31Å; E118-K122 WeakPolarHBondContact O-CG 3.29Å; E118-K122 PolarHBondContact O-N 3.48Å; E118-K122 VanDerWaalsContact O-N 3.08Å; L119-K122 PolarHBondContact O-N 3.35Å; K122-E124 PolarHBondContact O-N 3.23Å; K122-Q125 WeakPolarHBondContact O-CB 3.49Å; K122-Q125 PolarHBondContact O-N 2.92Å; K122-E126 WeakPolarHBondContact O-CB 3.44Å; K122-E126 WeakPolarHBondContact O-CG 3.24Å; K122-E126 PolarHBondContact O-N 2.95Å |
| 123 | H | 97.9 | Very high | 98.2 | Very high | 112 Ų | 112 | 104.4 Ų | 104.4 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.2 | -46 | 178.4 | 178.5 | 67.9 | 0 | 0 | 0 | 112.1 | L119 Q120 E126 K127 | L119-H123 WeakPolarHBondContact O-CB 3.42Å; L119-H123 PolarHBondContact O-N 3.12Å; Q120-H123 PolarHBondContact O-N 2.89Å; H123-E126 PolarHBondContact O-N 3.44Å; H123-K127 VanDerWaalsContact O-CB 3.25Å; H123-K127 WeakPolarHBondContact O-CB 3.38Å; H123-K127 PolarHBondContact O-N 3.31Å |
| 124 | E | 98.2 | Very high | 98.2 | Very high | 89 Ų | 89 | 105.2 Ų | 105.2 | 42% | 0.416 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.4 | -36.5 | 179.1 | -163.1 | 60.9 | -151.2 | 0 | 0 | 111.5 | Q120 T121 K122 K127 T128 | Q120-E124 PolarHBondContact O-N 3Å; T121-E124 PolarHBondContact O-N 3.4Å; K122-E124 PolarHBondContact O-N 3.23Å; E124-K127 PolarHBondContact O-N 2.91Å; E124-K127 IonicContact OE1-NZ 2.66Å; E124-K127 PolarHBondContact OE1-NZ 3.4Å; E124-K127 IonicContact OE2-NZ 3.94Å; E124-K127 PolarHBondContact OE2-NZ 3.49Å; E124-T128 WeakPolarHBondContact O-CB 3.34Å; E124-T128 VanDerWaalsContact O-CG2 3.23Å; E124-T128 WeakPolarHBondContact O-CG2 3.18Å; E124-T128 PolarHBondContact O-N 3.17Å; E124-T128 PolarHBondContact O-OG1 2.82Å |
| 125 | Q | 98.3 | Very high | 98.2 | Very high | 117 Ų | 117 | 104.7 Ų | 104.7 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.1 | -52.9 | 172.1 | -74.5 | 170.2 | 3.5 | 0 | 0 | 111.6 | T121 K122 K127 T128 E129 | T121-Q125 WeakPolarHBondContact O-CB 3.23Å; T121-Q125 VanDerWaalsContact O-CG 3.22Å; T121-Q125 WeakPolarHBondContact O-CG 3.37Å; T121-Q125 PolarHBondContact O-N 3.12Å; K122-Q125 WeakPolarHBondContact O-CB 3.49Å; K122-Q125 PolarHBondContact O-N 2.92Å; Q125-K127 VanDerWaalsContact C-N 3.31Å; Q125-K127 PolarHBondContact O-N 3.27Å; Q125-T128 PolarHBondContact O-N 3.04Å; Q125-T128 PolarHBondContact O-OG1 3.19Å; Q125-E129 WeakPolarHBondContact O-CG 3.17Å; Q125-E129 PolarHBondContact O-N 3.45Å |
| 126 | E | 98.1 | Very high | 98.2 | Very high | 127 Ų | 127 | 101.2 Ų | 101.2 | 59% | 0.593 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.9 | -42.7 | 179.1 | -73.9 | 175.3 | -177.1 | 0 | 0 | 112 | K122 H123 E129 L130 | K122-E126 WeakPolarHBondContact O-CB 3.44Å; K122-E126 WeakPolarHBondContact O-CG 3.24Å; K122-E126 PolarHBondContact O-N 2.95Å; H123-E126 PolarHBondContact O-N 3.44Å; E126-E129 PolarHBondContact O-N 3.24Å; E126-L130 VanDerWaalsContact O-CB 3.27Å; E126-L130 WeakPolarHBondContact O-CB 3.39Å; E126-L130 PolarHBondContact O-N 3.43Å |
| 127 | K | 98.5 | Very high | 98.2 | Very high | 103 Ų | 103 | 102.3 Ų | 102.3 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -48.4 | 176.1 | -179.5 | -176 | 166.6 | -155.9 | 0 | 111.5 | H123 E124 Q125 L130 T131 | H123-K127 VanDerWaalsContact O-CB 3.25Å; H123-K127 WeakPolarHBondContact O-CB 3.38Å; H123-K127 PolarHBondContact O-N 3.31Å; E124-K127 PolarHBondContact O-N 2.91Å; E124-K127 IonicContact OE1-NZ 2.66Å; E124-K127 PolarHBondContact OE1-NZ 3.4Å; E124-K127 IonicContact OE2-NZ 3.94Å; E124-K127 PolarHBondContact OE2-NZ 3.49Å; Q125-K127 VanDerWaalsContact C-N 3.31Å; Q125-K127 PolarHBondContact O-N 3.27Å; K127-L130 PolarHBondContact O-N 2.91Å; K127-T131 PolarHBondContact O-N 3.38Å; K127-T131 PolarHBondContact O-OG1 2.9Å |
| 128 | T | 98.1 | Very high | 98.2 | Very high | 57 Ų | 57 | 100.5 Ų | 100.5 | 35% | 0.35 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 179 | 60 | 0 | 0 | 0 | 0 | 112.3 | E124 Q125 T131 K132 | E124-T128 WeakPolarHBondContact O-CB 3.34Å; E124-T128 VanDerWaalsContact O-CG2 3.23Å; E124-T128 WeakPolarHBondContact O-CG2 3.18Å; E124-T128 PolarHBondContact O-N 3.17Å; E124-T128 PolarHBondContact O-OG1 2.82Å; Q125-T128 PolarHBondContact O-N 3.04Å; Q125-T128 PolarHBondContact O-OG1 3.19Å; T128-T131 PolarHBondContact O-N 3Å; T128-K132 WeakPolarHBondContact O-CB 2.94Å; T128-K132 VanDerWaalsContact O-CG 3.27Å; T128-K132 WeakPolarHBondContact O-CG 3.27Å; T128-K132 PolarHBondContact O-N 3.03Å |
| 129 | E | 98.4 | Very high | 98.2 | Very high | 90 Ų | 90 | 102.4 Ų | 102.4 | 42% | 0.421 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 173.8 | -74.8 | -171 | -175 | 0 | 0 | 112.1 | Q125 E126 K132 R133 | Q125-E129 WeakPolarHBondContact O-CG 3.17Å; Q125-E129 PolarHBondContact O-N 3.45Å; E126-E129 PolarHBondContact O-N 3.24Å; E129-K132 PolarHBondContact O-N 3.28Å; E129-R133 WeakPolarHBondContact O-CG 3.39Å; E129-R133 PolarHBondContact O-N 2.95Å; E129-R133 IonicContact OE2-CZ 3.83Å; E129-R133 IonicContact OE2-NH1 3.39Å; E129-R133 PolarHBondContact OE2-NH1 3.44Å; E129-R133 IonicContact OE2-NH2 3.76Å; E129-R133 PolarHBondContact OE2-NH2 3.16Å |
| 130 | L | 98.3 | Very high | 98.2 | Very high | 114 Ų | 114 | 102 Ų | 102 | 60% | 0.597 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.5 | -44.7 | 178.4 | -176.7 | 62.2 | 0 | 0 | 0 | 111.2 | E126 K127 K132 R133 F134 | E126-L130 VanDerWaalsContact O-CB 3.27Å; E126-L130 WeakPolarHBondContact O-CB 3.39Å; E126-L130 PolarHBondContact O-N 3.43Å; K127-L130 PolarHBondContact O-N 2.91Å; L130-K132 PolarHBondContact O-N 3.48Å; L130-R133 PolarHBondContact O-N 3.3Å; L130-F134 WeakPolarHBondContact O-CB 3.4Å; L130-F134 PolarHBondContact O-N 3.41Å |
| 131 | T | 97.8 | Very high | 98.1 | Very high | 65 Ų | 65 | 101.6 Ų | 101.6 | 40% | 0.399 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 175.3 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | K127 T128 F134 Q135 | K127-T131 PolarHBondContact O-N 3.38Å; K127-T131 PolarHBondContact O-OG1 2.9Å; T128-T131 PolarHBondContact O-N 3Å; T131-F134 PolarHBondContact O-N 3.43Å; T131-Q135 HydrophobicContact CG2-CG 4.47Å; T131-Q135 WeakPolarHBondContact O-CB 3.45Å; T131-Q135 WeakPolarHBondContact O-CG 3.08Å; T131-Q135 PolarHBondContact O-N 2.8Å |
| 132 | K | 98.3 | Very high | 98.1 | Very high | 138 Ų | 138 | 103.2 Ų | 103.2 | 60% | 0.6 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.3 | -45.2 | 177.1 | -75 | 171.7 | -178.6 | 175.4 | 0 | 112.2 | T128 E129 L130 F134 Q135 A136 | T128-K132 WeakPolarHBondContact O-CB 2.94Å; T128-K132 VanDerWaalsContact O-CG 3.27Å; T128-K132 WeakPolarHBondContact O-CG 3.27Å; T128-K132 PolarHBondContact O-N 3.03Å; E129-K132 PolarHBondContact O-N 3.28Å; L130-K132 PolarHBondContact O-N 3.48Å; K132-F134 VanDerWaalsContact C-N 3.34Å; K132-F134 PolarHBondContact O-N 3.15Å; K132-Q135 PolarHBondContact O-N 3.15Å; K132-A136 WeakPolarHBondContact O-CB 3.45Å; K132-A136 PolarHBondContact O-N 3.11Å |
| 133 | R | 98.3 | Very high | 98.1 | Very high | 147 Ų | 147 | 100.5 Ų | 100.5 | 56% | 0.555 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61 | -44.8 | 176.8 | -72.2 | -178.7 | -168.6 | 113.7 | 8.1 | 110.9 | E129 L130 A136 T137 | E129-R133 WeakPolarHBondContact O-CG 3.39Å; E129-R133 PolarHBondContact O-N 2.95Å; E129-R133 IonicContact OE2-CZ 3.83Å; E129-R133 IonicContact OE2-NH1 3.39Å; E129-R133 PolarHBondContact OE2-NH1 3.44Å; E129-R133 IonicContact OE2-NH2 3.76Å; E129-R133 PolarHBondContact OE2-NH2 3.16Å; L130-R133 PolarHBondContact O-N 3.3Å; R133-A136 PolarHBondContact O-N 2.98Å; R133-T137 WeakPolarHBondContact O-CG2 3.44Å; R133-T137 PolarHBondContact O-N 2.88Å; R133-T137 PolarHBondContact O-OG1 2.9Å |
| 134 | F | 98.2 | Very high | 98.1 | Very high | 128 Ų | 128 | 98.9 Ų | 98.9 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.6 | -50.4 | 177.4 | 178.6 | -93.6 | 0 | 0 | 0 | 111.7 | L130 T131 K132 A136 T137 E138 | L130-F134 WeakPolarHBondContact O-CB 3.4Å; L130-F134 PolarHBondContact O-N 3.41Å; T131-F134 PolarHBondContact O-N 3.43Å; K132-F134 VanDerWaalsContact C-N 3.34Å; K132-F134 PolarHBondContact O-N 3.15Å; F134-A136 VanDerWaalsContact C-N 3.35Å; F134-A136 PolarHBondContact O-N 3.36Å; F134-T137 WeakPolarHBondContact CA-OG1 3.46Å; F134-T137 PolarHBondContact O-N 3.02Å; F134-T137 PolarHBondContact O-OG1 3.26Å; F134-E138 WeakPolarHBondContact CE1-OE2 3.42Å; F134-E138 WeakPolarHBondContact O-CB 3.42Å; F134-E138 PolarHBondContact O-N 3.46Å |
| 135 | Q | 98.3 | Very high | 98.1 | Very high | 99 Ų | 99 | 99 Ų | 99 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 178.5 | -73.9 | 171.9 | -13.6 | 0 | 0 | 111.9 | T131 K132 T137 E138 E139 | T131-Q135 HydrophobicContact CG2-CG 4.47Å; T131-Q135 WeakPolarHBondContact O-CB 3.45Å; T131-Q135 WeakPolarHBondContact O-CG 3.08Å; T131-Q135 PolarHBondContact O-N 2.8Å; K132-Q135 PolarHBondContact O-N 3.15Å; Q135-T137 PolarHBondContact O-N 3.06Å; Q135-E138 WeakPolarHBondContact O-CB 3.46Å; Q135-E138 PolarHBondContact O-N 3.12Å; Q135-E139 WeakPolarHBondContact O-CG 3.38Å; Q135-E139 PolarHBondContact O-N 3.26Å |
| 136 | A | 98.3 | Very high | 98 | Very high | 46 Ų | 46 | 100 Ų | 100 | 38% | 0.38 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K132 R133 F134 E138 E139 I140 | K132-A136 WeakPolarHBondContact O-CB 3.45Å; K132-A136 PolarHBondContact O-N 3.11Å; R133-A136 PolarHBondContact O-N 2.98Å; F134-A136 VanDerWaalsContact C-N 3.35Å; F134-A136 PolarHBondContact O-N 3.36Å; A136-E138 VanDerWaalsContact C-N 3.34Å; A136-E139 PolarHBondContact O-N 2.99Å; A136-I140 VanDerWaalsContact O-CG1 3.3Å; A136-I140 WeakPolarHBondContact O-CG1 3.45Å; A136-I140 PolarHBondContact O-N 3.23Å; A136-I140 VanDerWaalsContact O-N 3.11Å |
| 137 | T | 97.7 | Very high | 98 | Very high | 75 Ų | 75 | 99.4 Ų | 99.4 | 46% | 0.46 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.8 | -36.1 | 175.8 | 52.2 | 0 | 0 | 0 | 0 | 112.7 | R133 F134 Q135 I140 L141 | R133-T137 WeakPolarHBondContact O-CG2 3.44Å; R133-T137 PolarHBondContact O-N 2.88Å; R133-T137 PolarHBondContact O-OG1 2.9Å; F134-T137 WeakPolarHBondContact CA-OG1 3.46Å; F134-T137 PolarHBondContact O-N 3.02Å; F134-T137 PolarHBondContact O-OG1 3.26Å; Q135-T137 PolarHBondContact O-N 3.06Å; T137-I140 PolarHBondContact O-N 2.89Å; T137-L141 WeakPolarHBondContact O-CB 3.33Å; T137-L141 WeakPolarHBondContact O-CG 3.47Å; T137-L141 PolarHBondContact O-N 3.44Å |
| 138 | E | 98.1 | Very high | 97.9 | Very high | 70 Ų | 70 | 98.5 Ų | 98.5 | 33% | 0.327 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 176.2 | -171.5 | -169.9 | 167 | 0 | 0 | 111.1 | F134 Q135 A136 L141 K142 | F134-E138 WeakPolarHBondContact CE1-OE2 3.42Å; F134-E138 WeakPolarHBondContact O-CB 3.42Å; F134-E138 PolarHBondContact O-N 3.46Å; Q135-E138 WeakPolarHBondContact O-CB 3.46Å; Q135-E138 PolarHBondContact O-N 3.12Å; A136-E138 VanDerWaalsContact C-N 3.34Å; E138-L141 PolarHBondContact O-N 3.46Å; E138-K142 HydrophobicContact CG-CD 4.43Å; E138-K142 WeakPolarHBondContact O-CG 3.24Å; E138-K142 PolarHBondContact O-N 3.12Å; E138-K142 WeakPolarHBondContact OE1-CE 3.38Å; E138-K142 IonicContact OE1-NZ 2.96Å; E138-K142 PolarHBondContact OE1-NZ 3.21Å |
| 139 | E | 98.3 | Very high | 97.7 | Very high | 134 Ų | 134 | 99.7 Ų | 99.7 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.2 | -44.4 | 176.4 | -74.4 | 176.3 | 170.5 | 0 | 0 | 112 | Q135 A136 L141 K142 A143 | Q135-E139 WeakPolarHBondContact O-CG 3.38Å; Q135-E139 PolarHBondContact O-N 3.26Å; A136-E139 PolarHBondContact O-N 2.99Å; E139-L141 VanDerWaalsContact C-N 3.34Å; E139-L141 PolarHBondContact O-N 2.88Å; E139-K142 PolarHBondContact O-N 3.12Å; E139-A143 WeakPolarHBondContact O-CB 3.48Å; E139-A143 PolarHBondContact O-N 2.52Å |
| 140 | I | 98.2 | Very high | 97.4 | Very high | 118 Ų | 118 | 98 Ų | 98 | 61% | 0.605 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60 | -45.5 | 175.9 | -68.4 | 165.4 | 0 | 0 | 0 | 110.7 | A136 T137 A143 E144 | A136-I140 VanDerWaalsContact O-CG1 3.3Å; A136-I140 WeakPolarHBondContact O-CG1 3.45Å; A136-I140 PolarHBondContact O-N 3.23Å; A136-I140 VanDerWaalsContact O-N 3.11Å; T137-I140 PolarHBondContact O-N 2.89Å; I140-A143 PolarHBondContact O-N 3.15Å; I140-E144 PolarHBondContact O-N 3.33Å |
| 141 | L | 97.7 | Very high | 97 | Very high | 115 Ų | 115 | 97.8 Ų | 97.8 | 60% | 0.602 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.6 | -40.4 | 178.9 | -77.7 | 166.4 | 0 | 0 | 0 | 112.1 | T137 E138 E139 E144 V145 | T137-L141 WeakPolarHBondContact O-CB 3.33Å; T137-L141 WeakPolarHBondContact O-CG 3.47Å; T137-L141 PolarHBondContact O-N 3.44Å; E138-L141 PolarHBondContact O-N 3.46Å; E139-L141 VanDerWaalsContact C-N 3.34Å; E139-L141 PolarHBondContact O-N 2.88Å; L141-E144 PolarHBondContact O-N 3.42Å; L141-V145 WeakPolarHBondContact O-CG2 3.47Å; L141-V145 PolarHBondContact O-N 3.14Å |
| 142 | K | 98 | Very high | 96.7 | Very high | 111 Ų | 111 | 99.8 Ų | 99.8 | 48% | 0.483 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 174.7 | -77.7 | 175.1 | -177.6 | 166.8 | 0 | 111.4 | E138 E139 E144 V145 E146 | E138-K142 HydrophobicContact CG-CD 4.43Å; E138-K142 WeakPolarHBondContact O-CG 3.24Å; E138-K142 PolarHBondContact O-N 3.12Å; E138-K142 WeakPolarHBondContact OE1-CE 3.38Å; E138-K142 IonicContact OE1-NZ 2.96Å; E138-K142 PolarHBondContact OE1-NZ 3.21Å; E139-K142 PolarHBondContact O-N 3.12Å; K142-E144 VanDerWaalsContact C-N 3.3Å; K142-E144 PolarHBondContact O-N 3.09Å; K142-V145 PolarHBondContact O-N 3.46Å; K142-E146 WeakPolarHBondContact O-CG 3.41Å; K142-E146 PolarHBondContact O-N 2.98Å |
| 143 | A | 97.6 | Very high | 96.2 | Very high | 55 Ų | 55 | 98.6 Ų | 98.6 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E139 I140 E146 R147 | E139-A143 WeakPolarHBondContact O-CB 3.48Å; E139-A143 PolarHBondContact O-N 2.52Å; I140-A143 PolarHBondContact O-N 3.15Å; A143-E146 PolarHBondContact O-N 2.94Å; A143-R147 WeakPolarHBondContact O-CB 2.85Å; A143-R147 PolarHBondContact O-N 2.49Å |
| 144 | E | 97.6 | Very high | 95.5 | Very high | 79 Ų | 79 | 96 Ų | 96 | 37% | 0.369 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.3 | -39.5 | 177.4 | -177.2 | 60.9 | -171.8 | 0 | 0 | 112.3 | I140 L141 K142 R147 L148 | I140-E144 PolarHBondContact O-N 3.33Å; L141-E144 PolarHBondContact O-N 3.42Å; K142-E144 VanDerWaalsContact C-N 3.3Å; K142-E144 PolarHBondContact O-N 3.09Å; E144-R147 PolarHBondContact O-N 3.04Å; E144-R147 IonicContact OE1-CZ 3.33Å; E144-R147 IonicContact OE1-NE 3.59Å; E144-R147 PolarHBondContact OE1-NE 3.31Å; E144-R147 IonicContact OE1-NH2 3.19Å; E144-R147 PolarHBondContact OE1-NH2 3.41Å; E144-R147 IonicContact OE2-CZ 3.5Å; E144-R147 IonicContact OE2-NE 3.41Å; E144-R147 PolarHBondContact OE2-NE 2.92Å; E144-R147 IonicContact OE2-NH2 2.66Å; E144-L148 HydrophobicContact CG-CD1 4.2Å; E144-L148 WeakPolarHBondContact O-CB 3.38Å; E144-L148 WeakPolarHBondContact O-CG 3.49Å; E144-L148 PolarHBondContact O-N 2.78Å |
| 145 | V | 97.9 | Very high | 94.7 | Very high | 90 Ų | 90 | 97.1 Ų | 97.1 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 173.8 | 169.3 | 0 | 0 | 0 | 0 | 111 | L141 K142 L148 T149 | L141-V145 WeakPolarHBondContact O-CG2 3.47Å; L141-V145 PolarHBondContact O-N 3.14Å; K142-V145 PolarHBondContact O-N 3.46Å; V145-L148 PolarHBondContact O-N 3.2Å; V145-T149 WeakPolarHBondContact O-CB 3.41Å; V145-T149 PolarHBondContact O-N 3.41Å; V145-T149 PolarHBondContact O-OG1 2.94Å |
| 146 | E | 97.6 | Very high | 93.9 | Very high | 138 Ų | 138 | 96.2 Ų | 96.2 | 65% | 0.645 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.5 | -45.2 | 175.6 | -72.7 | 173.5 | -174 | 0 | 0 | 111.7 | K142 A143 T149 A150 | K142-E146 WeakPolarHBondContact O-CG 3.41Å; K142-E146 PolarHBondContact O-N 2.98Å; A143-E146 PolarHBondContact O-N 2.94Å; E146-T149 PolarHBondContact O-N 2.86Å; E146-A150 PolarHBondContact O-N 3.23Å |
| 147 | R | 97.3 | Very high | 93 | Very high | 115 Ų | 115 | 98.6 Ų | 98.6 | 43% | 0.434 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.9 | -49.8 | 176.8 | -170.2 | -163.6 | 68.3 | 68.9 | -1.8 | 111.7 | A143 E144 T149 A150 E151 | A143-R147 WeakPolarHBondContact O-CB 2.85Å; A143-R147 PolarHBondContact O-N 2.49Å; E144-R147 PolarHBondContact O-N 3.04Å; E144-R147 IonicContact OE1-CZ 3.33Å; E144-R147 IonicContact OE1-NE 3.59Å; E144-R147 PolarHBondContact OE1-NE 3.31Å; E144-R147 IonicContact OE1-NH2 3.19Å; E144-R147 PolarHBondContact OE1-NH2 3.41Å; E144-R147 IonicContact OE2-CZ 3.5Å; E144-R147 IonicContact OE2-NE 3.41Å; E144-R147 PolarHBondContact OE2-NE 2.92Å; E144-R147 IonicContact OE2-NH2 2.66Å; R147-T149 VanDerWaalsContact C-N 3.31Å; R147-T149 PolarHBondContact O-N 3.4Å; R147-A150 PolarHBondContact O-N 2.87Å; R147-E151 IonicContact CZ-OE2 3.42Å; R147-E151 IonicContact NH1-OE2 2.63Å; R147-E151 PolarHBondContact NH1-OE2 3.19Å; R147-E151 PolarHBondContact O-N 2.84Å |
| 148 | L | 95.5 | Very high | 92.1 | Very high | 85 Ų | 85 | 98 Ų | 98 | 45% | 0.445 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -36.1 | 178.2 | -73.9 | 170.8 | 0 | 0 | 0 | 112.2 | E144 V145 E151 L152 | E144-L148 HydrophobicContact CG-CD1 4.2Å; E144-L148 WeakPolarHBondContact O-CB 3.38Å; E144-L148 WeakPolarHBondContact O-CG 3.49Å; E144-L148 PolarHBondContact O-N 2.78Å; V145-L148 PolarHBondContact O-N 3.2Å; L148-E151 PolarHBondContact O-N 3.49Å; L148-L152 WeakPolarHBondContact O-CB 3.46Å; L148-L152 PolarHBondContact O-N 2.85Å |
| 149 | T | 95 | Very high | 91 | Very high | 82 Ų | 82 | 99.8 Ų | 99.8 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65 | -42.3 | 176.9 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | V145 E146 R147 L152 Q153 | V145-T149 WeakPolarHBondContact O-CB 3.41Å; V145-T149 PolarHBondContact O-N 3.41Å; V145-T149 PolarHBondContact O-OG1 2.94Å; E146-T149 PolarHBondContact O-N 2.86Å; R147-T149 VanDerWaalsContact C-N 3.31Å; R147-T149 PolarHBondContact O-N 3.4Å; T149-L152 PolarHBondContact O-N 2.93Å; T149-Q153 PolarHBondContact O-N 2.98Å |
| 150 | A | 92.8 | Very high | 89.9 | Confident | 53 Ų | 53 | 99 Ų | 99 | 44% | 0.438 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E146 R147 L152 Q153 V154 | E146-A150 PolarHBondContact O-N 3.23Å; R147-A150 PolarHBondContact O-N 2.87Å; A150-L152 PolarHBondContact O-N 3.12Å; A150-Q153 WeakPolarHBondContact O-CB 3.33Å; A150-Q153 PolarHBondContact O-N 3.12Å; A150-V154 WeakPolarHBondContact O-CG2 3.39Å; A150-V154 PolarHBondContact O-N 3.47Å |
| 151 | E | 89.1 | Confident | 88.8 | Confident | 111 Ų | 111 | 98.6 Ų | 98.6 | 52% | 0.519 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 176.7 | -171.5 | 174.8 | 176.1 | 0 | 0 | 111.8 | R147 L148 Q153 V154 Y155 | R147-E151 IonicContact CZ-OE2 3.42Å; R147-E151 IonicContact NH1-OE2 2.63Å; R147-E151 PolarHBondContact NH1-OE2 3.19Å; R147-E151 PolarHBondContact O-N 2.84Å; L148-E151 PolarHBondContact O-N 3.49Å; E151-Q153 VanDerWaalsContact C-N 3.32Å; E151-Q153 PolarHBondContact O-N 2.63Å; E151-V154 PolarHBondContact O-N 2.77Å; E151-Y155 PolarHBondContact O-N 3.43Å |
| 152 | L | 90.8 | Very high | 87.5 | Confident | 107 Ų | 107 | 95.7 Ų | 95.7 | 56% | 0.56 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.8 | -41.2 | 174.6 | -170.4 | 97.8 | 0 | 0 | 0 | 111.6 | L148 T149 A150 Y155 N156 | L148-L152 WeakPolarHBondContact O-CB 3.46Å; L148-L152 PolarHBondContact O-N 2.85Å; T149-L152 PolarHBondContact O-N 2.93Å; A150-L152 PolarHBondContact O-N 3.12Å; L152-Y155 PolarHBondContact O-N 3.25Å; L152-N156 WeakPolarHBondContact O-CB 3.47Å; L152-N156 PolarHBondContact O-N 3.43Å; L152-N156 PolarHBondContact O-ND2 2.78Å |
| 153 | Q | 88.6 | Confident | 86.1 | Confident | 112 Ų | 112 | 95.7 Ų | 95.7 | 52% | 0.523 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.5 | -48 | 177.9 | -174.6 | -178.8 | -16.5 | 0 | 0 | 111.3 | T149 A150 E151 Y155 N156 E157 | T149-Q153 PolarHBondContact O-N 2.98Å; A150-Q153 WeakPolarHBondContact O-CB 3.33Å; A150-Q153 PolarHBondContact O-N 3.12Å; E151-Q153 VanDerWaalsContact C-N 3.32Å; E151-Q153 PolarHBondContact O-N 2.63Å; Q153-Y155 VanDerWaalsContact C-N 3.31Å; Q153-Y155 PolarHBondContact O-N 3.29Å; Q153-N156 PolarHBondContact O-N 3.19Å; Q153-E157 WeakPolarHBondContact CG-OE1 3.34Å; Q153-E157 PolarHBondContact NE2-OE1 3.18Å; Q153-E157 WeakPolarHBondContact O-CG 3.44Å; Q153-E157 PolarHBondContact O-N 2.96Å |
| 154 | V | 83.7 | Confident | 84.8 | Confident | 93 Ų | 93 | 97.9 Ų | 97.9 | 56% | 0.564 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58.5 | -43.9 | 177.4 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | A150 E151 E157 L158 | A150-V154 WeakPolarHBondContact O-CG2 3.39Å; A150-V154 PolarHBondContact O-N 3.47Å; E151-V154 PolarHBondContact O-N 2.77Å; V154-E157 PolarHBondContact O-N 3.04Å; V154-L158 WeakPolarHBondContact O-CB 3.41Å; V154-L158 PolarHBondContact O-N 3.19Å |
| 155 | Y | 82 | Confident | 83.9 | Confident | 151 Ų | 151 | 95.1 Ų | 95.1 | 59% | 0.592 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.3 | -45.1 | 176.8 | 176.8 | -97.9 | 0 | 0 | 0 | 112.3 | E151 L152 Q153 E157 L158 K159 | E151-Y155 PolarHBondContact O-N 3.43Å; L152-Y155 PolarHBondContact O-N 3.25Å; Q153-Y155 VanDerWaalsContact C-N 3.31Å; Q153-Y155 PolarHBondContact O-N 3.29Å; Y155-E157 PolarHBondContact O-N 3.33Å; Y155-L158 PolarHBondContact O-N 3.34Å; Y155-K159 WeakPolarHBondContact O-CB 3.3Å; Y155-K159 PolarHBondContact O-N 3.02Å |
| 156 | N | 79.5 | Confident | 82.3 | Confident | 81 Ų | 81 | 95.6 Ų | 95.6 | 43% | 0.433 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 178.3 | -75.9 | -33.8 | 0 | 0 | 0 | 112.2 | L152 Q153 K159 K160 | L152-N156 WeakPolarHBondContact O-CB 3.47Å; L152-N156 PolarHBondContact O-N 3.43Å; L152-N156 PolarHBondContact O-ND2 2.78Å; Q153-N156 PolarHBondContact O-N 3.19Å; N156-K159 PolarHBondContact O-N 3.38Å; N156-K160 PolarHBondContact O-N 3.37Å |
| 157 | E | 80.8 | Confident | 80.8 | Confident | 96 Ų | 96 | 92.2 Ų | 92.2 | 45% | 0.449 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 175.2 | -73.3 | 175.2 | -170.7 | 0 | 0 | 111.8 | Q153 V154 Y155 K160 R161 | Q153-E157 WeakPolarHBondContact CG-OE1 3.34Å; Q153-E157 PolarHBondContact NE2-OE1 3.18Å; Q153-E157 WeakPolarHBondContact O-CG 3.44Å; Q153-E157 PolarHBondContact O-N 2.96Å; V154-E157 PolarHBondContact O-N 3.04Å; Y155-E157 PolarHBondContact O-N 3.33Å; E157-K160 PolarHBondContact O-N 3.36Å; E157-R161 WeakPolarHBondContact O-CG 3.46Å; E157-R161 PolarHBondContact O-N 2.91Å |
| 158 | L | 78.8 | Confident | 79.5 | Confident | 61 Ų | 61 | 91.8 Ų | 91.8 | 32% | 0.319 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 175.4 | -179.1 | 62.2 | 0 | 0 | 0 | 111.4 | V154 Y155 K160 R161 V162 E201 | V154-L158 WeakPolarHBondContact O-CB 3.41Å; V154-L158 PolarHBondContact O-N 3.19Å; Y155-L158 PolarHBondContact O-N 3.34Å; L158-K160 VanDerWaalsContact C-N 3.3Å; L158-K160 PolarHBondContact O-N 2.95Å; L158-R161 PolarHBondContact O-N 2.94Å; L158-V162 WeakPolarHBondContact O-CG2 3.46Å; L158-V162 PolarHBondContact O-N 2.82Å; L158-E201 HydrophobicContact CD1-CG 4.07Å |
| 159 | K | 74.1 | Confident | 78.6 | Confident | 109 Ų | 109 | 93.1 Ų | 93.1 | 47% | 0.474 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -56.2 | -46 | 176.2 | -176.6 | -176.2 | 174.5 | -170.1 | 0 | 111.3 | Y155 N156 V162 E163 | Y155-K159 WeakPolarHBondContact O-CB 3.3Å; Y155-K159 PolarHBondContact O-N 3.02Å; N156-K159 PolarHBondContact O-N 3.38Å; K159-V162 PolarHBondContact O-N 2.92Å; K159-E163 VanDerWaalsContact CE-OE1 3.24Å; K159-E163 WeakPolarHBondContact CE-OE1 3.46Å; K159-E163 WeakPolarHBondContact O-CG 3.48Å; K159-E163 PolarHBondContact O-N 3.02Å |
| 160 | K | 76.5 | Confident | 77.5 | Confident | 117 Ų | 117 | 92.6 Ų | 92.6 | 51% | 0.509 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 177.3 | -174 | 178.6 | 174.5 | -177.4 | 0 | 112.2 | N156 E157 L158 V162 E163 E164 | N156-K160 PolarHBondContact O-N 3.37Å; E157-K160 PolarHBondContact O-N 3.36Å; L158-K160 VanDerWaalsContact C-N 3.3Å; L158-K160 PolarHBondContact O-N 2.95Å; K160-V162 VanDerWaalsContact C-N 3.33Å; K160-V162 PolarHBondContact O-N 3.33Å; K160-E163 PolarHBondContact O-N 3.19Å; K160-E164 WeakPolarHBondContact CE-OE1 3.48Å; K160-E164 HydrophobicContact CG-CG 4.42Å; K160-E164 IonicContact NZ-OE1 2.78Å; K160-E164 WeakPolarHBondContact O-CB 3.4Å; K160-E164 WeakPolarHBondContact O-CG 3.37Å; K160-E164 PolarHBondContact O-N 3.47Å |
| 161 | R | 75.1 | Confident | 76.7 | Confident | 110 Ų | 110 | 90.5 Ų | 90.5 | 42% | 0.415 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61 | -40.3 | 177.3 | -76.1 | -167 | -71.3 | 146.9 | -2.6 | 112.5 | E157 L158 E164 S165 E201 | E157-R161 WeakPolarHBondContact O-CG 3.46Å; E157-R161 PolarHBondContact O-N 2.91Å; L158-R161 PolarHBondContact O-N 2.94Å; R161-E164 PolarHBondContact O-N 3.23Å; R161-S165 PolarHBondContact O-N 3.03Å; R161-E201 IonicContact CZ-OE1 3.41Å; R161-E201 IonicContact CZ-OE2 2.87Å; R161-E201 IonicContact NH1-OE1 2.69Å; R161-E201 IonicContact NH1-OE2 3.7Å; R161-E201 PolarHBondContact NH1-OE2 2.9Å; R161-E201 IonicContact NH2-OE1 2.77Å; R161-E201 PolarHBondContact NH2-OE1 3.44Å; R161-E201 IonicContact NH2-OE2 3.46Å; R161-E201 PolarHBondContact NH2-OE2 2.87Å |
| 162 | V | 70.4 | Confident | 76.2 | Confident | 53 Ų | 53 | 91.1 Ų | 91.1 | 32% | 0.321 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 174.4 | 168.1 | 0 | 0 | 0 | 0 | 110.9 | L158 K159 K160 E164 S165 | L158-V162 WeakPolarHBondContact O-CG2 3.46Å; L158-V162 PolarHBondContact O-N 2.82Å; K159-V162 PolarHBondContact O-N 2.92Å; K160-V162 VanDerWaalsContact C-N 3.33Å; K160-V162 PolarHBondContact O-N 3.33Å; V162-E164 VanDerWaalsContact C-N 3.27Å; V162-E164 PolarHBondContact O-N 3.5Å; V162-S165 WeakPolarHBondContact O-CB 3.4Å; V162-S165 PolarHBondContact O-N 3.39Å |
| 163 | E | 67.6 | Low | 75.7 | Confident | 111 Ų | 111 | 91.7 Ų | 91.7 | 52% | 0.519 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.4 | -36.6 | 176.2 | -73 | 173.5 | -176.3 | 0 | 0 | 112.6 | K159 K160 | K159-E163 VanDerWaalsContact CE-OE1 3.24Å; K159-E163 WeakPolarHBondContact CE-OE1 3.46Å; K159-E163 WeakPolarHBondContact O-CG 3.48Å; K159-E163 PolarHBondContact O-N 3.02Å; K160-E163 PolarHBondContact O-N 3.19Å |
| 164 | E | 70.9 | Confident | 75.1 | Confident | 102 Ų | 102 | 89.9 Ų | 89.9 | 48% | 0.477 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -89.5 | -2 | -176.6 | -69.6 | 177.9 | 172.3 | 0 | 0 | 114.7 | K160 R161 V162 K169 | K160-E164 WeakPolarHBondContact CE-OE1 3.48Å; K160-E164 HydrophobicContact CG-CG 4.42Å; K160-E164 IonicContact NZ-OE1 2.78Å; K160-E164 WeakPolarHBondContact O-CB 3.4Å; K160-E164 WeakPolarHBondContact O-CG 3.37Å; K160-E164 PolarHBondContact O-N 3.47Å; R161-E164 PolarHBondContact O-N 3.23Å; V162-E164 VanDerWaalsContact C-N 3.27Å; V162-E164 PolarHBondContact O-N 3.5Å; E164-K169 PolarHBondContact O-NZ 3.04Å |
| 165 | S | 77.1 | Confident | 74.9 | Confident | 20 Ų | 20 | 87.4 Ų | 87.4 | 14% | 0.14 | 41% | 0.408 | C | S | . | . | trans | -52.4 | 137.3 | -172.3 | 171 | 0 | 0 | 0 | 0 | 114 | R161 V162 F167 K168 K169 E197 | R161-S165 PolarHBondContact O-N 3.03Å; V162-S165 WeakPolarHBondContact O-CB 3.4Å; V162-S165 PolarHBondContact O-N 3.39Å; S165-F167 PolarHBondContact O-N 3.03Å; S165-F167 PolarHBondContact OG-N 3.39Å; S165-K168 PolarHBondContact O-N 3.19Å; S165-K169 PolarHBondContact O-N 3.44Å; S165-E197 WeakPolarHBondContact CB-OE1 3.5Å; S165-E197 PolarHBondContact OG-OE1 3.41Å | ||
| 166 | T | 64.9 | Low | 74.9 | Confident | 100 Ų | 100 | 87.8 Ų | 87.8 | 61% | 0.613 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -62 | -27.7 | 176 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | K169 N170 | T166-K169 PolarHBondContact O-N 2.94Å; T166-N170 VanDerWaalsContact O-CB 3.25Å; T166-N170 WeakPolarHBondContact O-CB 3.36Å; T166-N170 PolarHBondContact O-N 3.33Å; T166-N170 PolarHBondContact O-ND2 3.39Å; T166-N170 VanDerWaalsContact O-ND2 3.15Å; T166-N170 PolarHBondContact O-OD1 3.01Å |
| 167 | F | 66.1 | Low | 74.9 | Confident | 68 Ų | 68 | 90 Ų | 90 | 30% | 0.298 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -75.9 | -38.2 | -179.6 | -170.4 | -55.8 | 0 | 0 | 0 | 110.8 | S165 K169 N170 L171 L193 I196 | S165-F167 PolarHBondContact O-N 3.03Å; S165-F167 PolarHBondContact OG-N 3.39Å; F167-K169 VanDerWaalsContact C-N 3.3Å; F167-K169 PolarHBondContact O-N 3.42Å; F167-N170 PolarHBondContact O-N 3.36Å; F167-L171 VanDerWaalsContact O-CB 3.27Å; F167-L171 WeakPolarHBondContact O-CB 3.37Å; F167-L171 PolarHBondContact O-N 2.92Å; F167-L193 HydrophobicContact CB-CD1 3.43Å; F167-L193 VanDerWaalsContact CB-CD1 3.43Å; F167-L193 HydrophobicContact CD1-CB 3.75Å; F167-L193 HydrophobicContact CD1-CD1 3.01Å; F167-L193 HydrophobicContact CD1-CD2 3.56Å; F167-L193 HydrophobicContact CD1-CG 3.56Å; F167-L193 HydrophobicContact CD2-CD1 3.99Å; F167-L193 HydrophobicContact CE1-CB 3.51Å; F167-L193 HydrophobicContact CE1-CD1 3.64Å; F167-L193 HydrophobicContact CE1-CD2 4.1Å; F167-L193 HydrophobicContact CE1-CG 3.9Å; F167-L193 HydrophobicContact CG-CD1 3.19Å; F167-L193 HydrophobicContact CG-CD2 4.46Å; F167-L193 HydrophobicContact CG-CG 4.24Å; F167-L193 HydrophobicContact CZ-CB 4.27Å; F167-L193 HydrophobicContact CZ-CD1 4.34Å; F167-I196 HydrophobicContact CE2-CD1 3.99Å; F167-I196 HydrophobicContact CZ-CD1 4.13Å |
| 168 | K | 71.2 | Confident | 74.9 | Confident | 105 Ų | 105 | 92.1 Ų | 92.1 | 46% | 0.457 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 169.7 | -166.6 | 174.3 | -175.9 | 175.7 | 0 | 111.5 | S165 Q172 L193 | S165-K168 PolarHBondContact O-N 3.19Å; K168-Q172 WeakPolarHBondContact O-CB 3.5Å; K168-Q172 PolarHBondContact O-N 3.44Å; K168-L193 HydrophobicContact CB-CD2 4.16Å |
| 169 | K | 75.8 | Confident | 74.7 | Confident | 113 Ų | 113 | 91.1 Ų | 91.1 | 49% | 0.491 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 174.1 | -68.3 | 171.1 | -179.7 | 151.8 | 0 | 112.8 | E164 S165 T166 F167 R173 | E164-K169 PolarHBondContact O-NZ 3.04Å; S165-K169 PolarHBondContact O-N 3.44Å; T166-K169 PolarHBondContact O-N 2.94Å; F167-K169 VanDerWaalsContact C-N 3.3Å; F167-K169 PolarHBondContact O-N 3.42Å; K169-R173 WeakPolarHBondContact O-CB 3.27Å; K169-R173 PolarHBondContact O-N 2.69Å |
| 170 | N | 72.1 | Confident | 74.9 | Confident | 71 Ų | 71 | 89.4 Ų | 89.4 | 38% | 0.38 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -71.1 | -37.9 | 179.1 | -71.7 | -23 | 0 | 0 | 0 | 111.8 | T166 F167 R173 N174 | T166-N170 VanDerWaalsContact O-CB 3.25Å; T166-N170 WeakPolarHBondContact O-CB 3.36Å; T166-N170 PolarHBondContact O-N 3.33Å; T166-N170 PolarHBondContact O-ND2 3.39Å; T166-N170 VanDerWaalsContact O-ND2 3.15Å; T166-N170 PolarHBondContact O-OD1 3.01Å; F167-N170 PolarHBondContact O-N 3.36Å; N170-R173 PolarHBondContact O-N 3.41Å; N170-R173 VanDerWaalsContact OD1-CZ 3.32Å; N170-R173 PolarHBondContact OD1-NH1 2.98Å; N170-R173 PolarHBondContact OD1-NH2 2.92Å; N170-R173 VanDerWaalsContact OD1-NH2 3.15Å; N170-N174 VanDerWaalsContact O-CB 3.29Å; N170-N174 WeakPolarHBondContact O-CB 3.22Å; N170-N174 PolarHBondContact O-N 3.03Å |
| 171 | L | 74.8 | Confident | 75 | Confident | 9 Ų | 9 | 87 Ų | 87 | 5% | 0.047 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -59.7 | -50.2 | 172.4 | 176.4 | 57.4 | 0 | 0 | 0 | 110.2 | F167 R173 N174 I175 Q189 E190 L193 | F167-L171 VanDerWaalsContact O-CB 3.27Å; F167-L171 WeakPolarHBondContact O-CB 3.37Å; F167-L171 PolarHBondContact O-N 2.92Å; L171-R173 VanDerWaalsContact C-N 3.33Å; L171-R173 PolarHBondContact O-N 3.32Å; L171-N174 PolarHBondContact O-N 3.38Å; L171-I175 HydrophobicContact CD1-CD1 3.99Å; L171-I175 HydrophobicContact CD1-CG1 4.4Å; L171-I175 HydrophobicContact CG-CD1 4.07Å; L171-I175 WeakPolarHBondContact O-CG1 3.49Å; L171-I175 PolarHBondContact O-N 2.87Å; L171-Q189 HydrophobicContact CD1-CB 4.24Å; L171-Q189 HydrophobicContact CD1-CG 3.57Å; L171-Q189 VanDerWaalsContact CD1-NE2 3.26Å; L171-Q189 HydrophobicContact CD2-CG 4.43Å; L171-E190 HydrophobicContact CD2-CG 3.76Å; L171-L193 HydrophobicContact CD2-CD2 4.27Å |
| 172 | Q | 78.6 | Confident | 75.4 | Confident | 124 Ų | 124 | 83.1 Ų | 83.1 | 58% | 0.579 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.5 | -38.1 | 178.7 | -157.6 | 172.9 | 16.3 | 0 | 0 | 112.4 | K168 Q176 | K168-Q172 WeakPolarHBondContact O-CB 3.5Å; K168-Q172 PolarHBondContact O-N 3.44Å; Q172-Q176 PolarHBondContact O-N 3.26Å; Q172-Q176 VanDerWaalsContact O-N 3.12Å |
| 173 | R | 80.3 | Confident | 76 | Confident | 120 Ų | 120 | 84.4 Ų | 84.4 | 45% | 0.453 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 172.6 | -170.3 | -169.3 | -53.1 | 125.3 | 12.5 | 112 | K169 N170 L171 I175 Q176 E177 | K169-R173 WeakPolarHBondContact O-CB 3.27Å; K169-R173 PolarHBondContact O-N 2.69Å; N170-R173 PolarHBondContact O-N 3.41Å; N170-R173 VanDerWaalsContact OD1-CZ 3.32Å; N170-R173 PolarHBondContact OD1-NH1 2.98Å; N170-R173 PolarHBondContact OD1-NH2 2.92Å; N170-R173 VanDerWaalsContact OD1-NH2 3.15Å; L171-R173 VanDerWaalsContact C-N 3.33Å; L171-R173 PolarHBondContact O-N 3.32Å; R173-I175 PolarHBondContact O-N 2.97Å; R173-Q176 WeakPolarHBondContact O-CB 3.44Å; R173-Q176 PolarHBondContact O-N 3.43Å; R173-Q176 VanDerWaalsContact O-N 3.12Å; R173-E177 VanDerWaalsContact CD-OE1 3.28Å; R173-E177 WeakPolarHBondContact CD-OE1 3.39Å; R173-E177 HydrophobicContact CG-CG 4.34Å; R173-E177 VanDerWaalsContact CG-OE1 3.29Å; R173-E177 WeakPolarHBondContact CG-OE1 3.27Å; R173-E177 WeakPolarHBondContact O-CG 3.15Å; R173-E177 PolarHBondContact O-N 3.32Å |
| 174 | N | 77.3 | Confident | 76.6 | Confident | 73 Ų | 73 | 85.8 Ų | 85.8 | 39% | 0.39 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | -179.4 | -170.4 | -91.1 | 0 | 0 | 0 | 111.6 | N170 L171 Q176 E177 H178 | N170-N174 VanDerWaalsContact O-CB 3.29Å; N170-N174 WeakPolarHBondContact O-CB 3.22Å; N170-N174 PolarHBondContact O-N 3.03Å; L171-N174 PolarHBondContact O-N 3.38Å; N174-Q176 VanDerWaalsContact C-N 3.3Å; N174-Q176 PolarHBondContact O-N 2.93Å; N174-E177 PolarHBondContact O-N 3.44Å; N174-H178 PolarHBondContact ND2-CD2 2.94Å; N174-H178 PolarHBondContact O-N 3.36Å |
| 175 | I | 79.6 | Confident | 77.1 | Confident | 42 Ų | 42 | 88.3 Ų | 88.3 | 22% | 0.215 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 173.2 | -67.3 | 166.3 | 0 | 0 | 0 | 111 | L171 R173 G179 E186 | L171-I175 HydrophobicContact CD1-CD1 3.99Å; L171-I175 HydrophobicContact CD1-CG1 4.4Å; L171-I175 HydrophobicContact CG-CD1 4.07Å; L171-I175 WeakPolarHBondContact O-CG1 3.49Å; L171-I175 PolarHBondContact O-N 2.87Å; R173-I175 PolarHBondContact O-N 2.97Å; I175-G179 CarbonylContact O-C 3.32Å; I175-G179 WeakPolarHBondContact O-CA 3.34Å; I175-G179 PolarHBondContact O-N 3.03Å; I175-E186 HydrophobicContact CD1-CG 4.16Å |
| 176 | Q | 80.9 | Confident | 77.2 | Confident | 159 Ų | 159 | 89.7 Ų | 89.7 | 74% | 0.743 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.9 | -39.4 | 174 | -81.9 | 177.6 | -11.3 | 0 | 0 | 113.3 | Q172 R173 N174 | Q172-Q176 PolarHBondContact O-N 3.26Å; Q172-Q176 VanDerWaalsContact O-N 3.12Å; R173-Q176 WeakPolarHBondContact O-CB 3.44Å; R173-Q176 PolarHBondContact O-N 3.43Å; R173-Q176 VanDerWaalsContact O-N 3.12Å; N174-Q176 VanDerWaalsContact C-N 3.3Å; N174-Q176 PolarHBondContact O-N 2.93Å |
| 177 | E | 80.3 | Confident | 78 | Confident | 126 Ų | 126 | 88.7 Ų | 88.7 | 59% | 0.589 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -78.3 | -34.5 | -175.7 | -75.4 | 172.6 | -177.7 | 0 | 0 | 113.1 | R173 N174 | R173-E177 VanDerWaalsContact CD-OE1 3.28Å; R173-E177 WeakPolarHBondContact CD-OE1 3.39Å; R173-E177 HydrophobicContact CG-CG 4.34Å; R173-E177 VanDerWaalsContact CG-OE1 3.29Å; R173-E177 WeakPolarHBondContact CG-OE1 3.27Å; R173-E177 WeakPolarHBondContact O-CG 3.15Å; R173-E177 PolarHBondContact O-N 3.32Å; N174-E177 PolarHBondContact O-N 3.44Å |
| 178 | H | 79.8 | Confident | 78.9 | Confident | 141 Ų | 141 | 89.2 Ų | 89.2 | 65% | 0.653 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -117.7 | -4.1 | -171.9 | -60.7 | -63.9 | 0 | 0 | 0 | 114.3 | N174 | N174-H178 PolarHBondContact ND2-CD2 2.94Å; N174-H178 PolarHBondContact O-N 3.36Å |
| 179 | G | 74.7 | Confident | 79.5 | Confident | 41 Ų | 41 | 87.3 Ų | 87.3 | 42% | 0.423 | 45% | 0.453 | S | S | . | . | trans | 84.8 | 162.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I175 | I175-G179 CarbonylContact O-C 3.32Å; I175-G179 WeakPolarHBondContact O-CA 3.34Å; I175-G179 PolarHBondContact O-N 3.03Å | ||
| 180 | S | 78.9 | Confident | 79.7 | Confident | 72 Ų | 72 | 87.3 Ų | 87.3 | 50% | 0.503 | 46% | 0.455 | S | S | . | . | trans | -65.6 | 127.9 | 177.6 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | G182 E186 | S180-G182 PolarHBondContact O-N 3.45Å; S180-G182 PolarHBondContact OG-N 2.9Å; S180-G182 VanDerWaalsContact OG-N 3.12Å; S180-E186 WeakPolarHBondContact CB-OE1 3.5Å; S180-E186 VanDerWaalsContact OG-CD 3.3Å; S180-E186 PolarHBondContact OG-OE1 3.45Å | ||
| 181 | P | 78.6 | Confident | 80.3 | Confident | 66 Ų | 66 | 87 Ų | 87 | 43% | 0.429 | 46% | 0.458 | S | S | . | . | trans | -72.6 | -1.5 | 172.3 | 30.1 | -32.9 | 0 | 0 | 0 | 112.6 | W185 E186 | P181-W185 HydrophobicContact CB-CB 3.91Å; P181-W185 HydrophobicContact CG-CB 4Å; P181-E186 HydrophobicContact CG-CG 4.02Å | ||
| 182 | G | 84.6 | Confident | 80.9 | Confident | 30 Ų | 30 | 90.9 Ų | 90.9 | 31% | 0.309 | 48% | 0.478 | S | S | . | . | trans | 100.9 | 148.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S180 F184 W185 E186 | S180-G182 PolarHBondContact O-N 3.45Å; S180-G182 PolarHBondContact OG-N 2.9Å; S180-G182 VanDerWaalsContact OG-N 3.12Å; G182-F184 PolarHBondContact O-N 2.94Å; G182-W185 PolarHBondContact O-N 3.49Å; G182-E186 PolarHBondContact O-N 3.45Å; G182-E186 VanDerWaalsContact O-N 3.12Å | ||
| 183 | A | 81.4 | Confident | 81.2 | Confident | 79 Ų | 79 | 85.5 Ų | 85.5 | 65% | 0.653 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -55.6 | -32.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S187 | A183-S187 PolarHBondContact O-N 3.39Å; A183-S187 VanDerWaalsContact O-N 3.14Å |
| 184 | F | 80.4 | Confident | 81.2 | Confident | 140 Ų | 140 | 85.6 Ų | 85.6 | 61% | 0.614 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.6 | -48.9 | 175.7 | 174.3 | -96.8 | 0 | 0 | 0 | 111.9 | G182 S187 E188 | G182-F184 PolarHBondContact O-N 2.94Å; F184-S187 PolarHBondContact O-N 3.19Å; F184-E188 PolarHBondContact O-N 3.11Å |
| 185 | W | 82.1 | Confident | 81.6 | Confident | 155 Ų | 155 | 85 Ų | 85 | 59% | 0.587 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -72.2 | -32.3 | -177.6 | -69.1 | 115.6 | 0 | 0 | 0 | 112.5 | P181 G182 E188 Q189 | P181-W185 HydrophobicContact CB-CB 3.91Å; P181-W185 HydrophobicContact CG-CB 4Å; G182-W185 PolarHBondContact O-N 3.49Å; W185-E188 PolarHBondContact O-N 2.96Å; W185-Q189 VanDerWaalsContact O-CB 3.23Å; W185-Q189 WeakPolarHBondContact O-CB 3.49Å; W185-Q189 PolarHBondContact O-N 2.89Å |
| 186 | E | 79.7 | Confident | 81.8 | Confident | 50 Ų | 50 | 87.1 Ų | 87.1 | 23% | 0.234 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -61.4 | -48 | 171.3 | -69.1 | 178.4 | 169.5 | 0 | 0 | 111.1 | I175 S180 P181 G182 E188 Q189 E190 | I175-E186 HydrophobicContact CD1-CG 4.16Å; S180-E186 WeakPolarHBondContact CB-OE1 3.5Å; S180-E186 VanDerWaalsContact OG-CD 3.3Å; S180-E186 PolarHBondContact OG-OE1 3.45Å; P181-E186 HydrophobicContact CG-CG 4.02Å; G182-E186 PolarHBondContact O-N 3.45Å; G182-E186 VanDerWaalsContact O-N 3.12Å; E186-E188 PolarHBondContact O-N 3.32Å; E186-Q189 PolarHBondContact O-N 2.96Å; E186-E190 WeakPolarHBondContact O-CG 3.23Å; E186-E190 PolarHBondContact O-N 2.88Å |
| 187 | S | 81.3 | Confident | 82 | Confident | 78 Ų | 78 | 81.1 Ų | 81.1 | 55% | 0.545 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 177.7 | -178 | 0 | 0 | 0 | 0 | 112.5 | A183 F184 S191 | A183-S187 PolarHBondContact O-N 3.39Å; A183-S187 VanDerWaalsContact O-N 3.14Å; F184-S187 PolarHBondContact O-N 3.19Å; S187-S191 WeakPolarHBondContact O-CB 3.5Å; S187-S191 PolarHBondContact O-N 3.46Å |
| 188 | E | 85.5 | Confident | 82.1 | Confident | 80 Ų | 80 | 80 Ų | 80 | 37% | 0.374 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 176.2 | -174.3 | 62 | -163.6 | 0 | 0 | 111.1 | F184 W185 E186 S191 L192 | F184-E188 PolarHBondContact O-N 3.11Å; W185-E188 PolarHBondContact O-N 2.96Å; E186-E188 PolarHBondContact O-N 3.32Å; E188-S191 WeakPolarHBondContact O-CB 3.38Å; E188-S191 PolarHBondContact O-N 3.33Å; E188-L192 HydrophobicContact CG-CD1 4.38Å; E188-L192 WeakPolarHBondContact O-CG 3.33Å; E188-L192 PolarHBondContact O-N 3.23Å |
| 189 | Q | 82.6 | Confident | 82.5 | Confident | 64 Ų | 64 | 78.7 Ų | 78.7 | 30% | 0.299 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.8 | -35.4 | 178.8 | -165.1 | 170.1 | 1.5 | 0 | 0 | 112.3 | L171 W185 E186 L193 | L171-Q189 HydrophobicContact CD1-CB 4.24Å; L171-Q189 HydrophobicContact CD1-CG 3.57Å; L171-Q189 VanDerWaalsContact CD1-NE2 3.26Å; L171-Q189 HydrophobicContact CD2-CG 4.43Å; W185-Q189 VanDerWaalsContact O-CB 3.23Å; W185-Q189 WeakPolarHBondContact O-CB 3.49Å; W185-Q189 PolarHBondContact O-N 2.89Å; E186-Q189 PolarHBondContact O-N 2.96Å; Q189-L193 VanDerWaalsContact O-CB 3.24Å; Q189-L193 WeakPolarHBondContact O-CB 3.31Å; Q189-L193 PolarHBondContact O-N 2.73Å |
| 190 | E | 80.2 | Confident | 83 | Confident | 114 Ų | 114 | 79.4 Ų | 79.4 | 53% | 0.533 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 170.5 | -74.1 | -176.6 | 171.1 | 0 | 0 | 112.4 | L171 E186 L193 F194 | L171-E190 HydrophobicContact CD2-CG 3.76Å; E186-E190 WeakPolarHBondContact O-CG 3.23Å; E186-E190 PolarHBondContact O-N 2.88Å; E190-L193 WeakPolarHBondContact O-CB 3.46Å; E190-L193 PolarHBondContact O-N 3.16Å; E190-F194 PolarHBondContact O-N 3.36Å; E190-F194 VanDerWaalsContact O-N 3.09Å |
| 191 | S | 85.8 | Confident | 83.2 | Confident | 64 Ų | 64 | 78.1 Ų | 78.1 | 45% | 0.448 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.3 | -47 | 174.4 | 178.4 | 0 | 0 | 0 | 0 | 111.7 | S187 E188 L193 F194 V195 | S187-S191 WeakPolarHBondContact O-CB 3.5Å; S187-S191 PolarHBondContact O-N 3.46Å; E188-S191 WeakPolarHBondContact O-CB 3.38Å; E188-S191 PolarHBondContact O-N 3.33Å; S191-L193 VanDerWaalsContact C-N 3.33Å; S191-L193 PolarHBondContact O-N 3.05Å; S191-F194 PolarHBondContact O-N 2.94Å; S191-V195 WeakPolarHBondContact O-CG2 3.43Å; S191-V195 PolarHBondContact O-N 2.69Å; S191-V195 VanDerWaalsContact O-N 3.12Å |
| 192 | L | 87.1 | Confident | 83.7 | Confident | 90 Ų | 90 | 82.4 Ų | 82.4 | 47% | 0.471 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 177.2 | -70.7 | 175.2 | 0 | 0 | 0 | 112.1 | E188 F194 V195 I196 | E188-L192 HydrophobicContact CG-CD1 4.38Å; E188-L192 WeakPolarHBondContact O-CG 3.33Å; E188-L192 PolarHBondContact O-N 3.23Å; L192-F194 PolarHBondContact O-N 2.77Å; L192-V195 PolarHBondContact O-N 3.42Å; L192-I196 VanDerWaalsContact O-CG1 3.27Å; L192-I196 WeakPolarHBondContact O-CG1 3.36Å; L192-I196 PolarHBondContact O-N 3.41Å |
| 193 | L | 83.7 | Confident | 84 | Confident | 11 Ų | 11 | 85 Ų | 85 | 6% | 0.058 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -54.1 | -52.3 | 172.6 | 164.9 | 48.3 | 0 | 0 | 0 | 111.5 | F167 K168 L171 Q189 E190 S191 V195 I196 E197 | F167-L193 HydrophobicContact CB-CD1 3.43Å; F167-L193 VanDerWaalsContact CB-CD1 3.43Å; F167-L193 HydrophobicContact CD1-CB 3.75Å; F167-L193 HydrophobicContact CD1-CD1 3.01Å; F167-L193 HydrophobicContact CD1-CD2 3.56Å; F167-L193 HydrophobicContact CD1-CG 3.56Å; F167-L193 HydrophobicContact CD2-CD1 3.99Å; F167-L193 HydrophobicContact CE1-CB 3.51Å; F167-L193 HydrophobicContact CE1-CD1 3.64Å; F167-L193 HydrophobicContact CE1-CD2 4.1Å; F167-L193 HydrophobicContact CE1-CG 3.9Å; F167-L193 HydrophobicContact CG-CD1 3.19Å; F167-L193 HydrophobicContact CG-CD2 4.46Å; F167-L193 HydrophobicContact CG-CG 4.24Å; F167-L193 HydrophobicContact CZ-CB 4.27Å; F167-L193 HydrophobicContact CZ-CD1 4.34Å; K168-L193 HydrophobicContact CB-CD2 4.16Å; L171-L193 HydrophobicContact CD2-CD2 4.27Å; Q189-L193 VanDerWaalsContact O-CB 3.24Å; Q189-L193 WeakPolarHBondContact O-CB 3.31Å; Q189-L193 PolarHBondContact O-N 2.73Å; E190-L193 WeakPolarHBondContact O-CB 3.46Å; E190-L193 PolarHBondContact O-N 3.16Å; S191-L193 VanDerWaalsContact C-N 3.33Å; S191-L193 PolarHBondContact O-N 3.05Å; L193-V195 VanDerWaalsContact C-N 3.28Å; L193-V195 PolarHBondContact O-N 2.98Å; L193-I196 PolarHBondContact O-N 2.98Å; L193-I196 VanDerWaalsContact O-N 3.12Å; L193-E197 HydrophobicContact CD1-CG 3.88Å; L193-E197 WeakPolarHBondContact CD1-OE1 3.25Å; L193-E197 PolarHBondContact O-N 2.91Å |
| 194 | F | 80.8 | Confident | 84.4 | Confident | 123 Ų | 123 | 85.7 Ų | 85.7 | 54% | 0.539 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.8 | -43 | 179.2 | 179.2 | -97 | 0 | 0 | 0 | 111.8 | E190 S191 L192 E197 M198 | E190-F194 PolarHBondContact O-N 3.36Å; E190-F194 VanDerWaalsContact O-N 3.09Å; S191-F194 PolarHBondContact O-N 2.94Å; L192-F194 PolarHBondContact O-N 2.77Å; F194-E197 PolarHBondContact O-N 3.31Å; F194-M198 WeakPolarHBondContact O-CB 3.3Å; F194-M198 PolarHBondContact O-N 3.42Å |
| 195 | V | 86.5 | Confident | 84.9 | Confident | 59 Ų | 59 | 82.4 Ų | 82.4 | 36% | 0.358 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 177.1 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | S191 L192 L193 M198 K199 | S191-V195 WeakPolarHBondContact O-CG2 3.43Å; S191-V195 PolarHBondContact O-N 2.69Å; S191-V195 VanDerWaalsContact O-N 3.12Å; L192-V195 PolarHBondContact O-N 3.42Å; L193-V195 VanDerWaalsContact C-N 3.28Å; L193-V195 PolarHBondContact O-N 2.98Å; V195-M198 PolarHBondContact O-N 3.48Å; V195-K199 HydrophobicContact CG1-CG 4.35Å; V195-K199 WeakPolarHBondContact O-CB 3.47Å; V195-K199 WeakPolarHBondContact O-CG 3.31Å; V195-K199 PolarHBondContact O-N 3.5Å |
| 196 | I | 84.1 | Confident | 85.4 | Confident | 87 Ų | 87 | 80.3 Ų | 80.3 | 45% | 0.446 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 177.9 | -71.5 | 165.8 | 0 | 0 | 0 | 110.5 | F167 L192 L193 K199 A200 | F167-I196 HydrophobicContact CE2-CD1 3.99Å; F167-I196 HydrophobicContact CZ-CD1 4.13Å; L192-I196 VanDerWaalsContact O-CG1 3.27Å; L192-I196 WeakPolarHBondContact O-CG1 3.36Å; L192-I196 PolarHBondContact O-N 3.41Å; L193-I196 PolarHBondContact O-N 2.98Å; L193-I196 VanDerWaalsContact O-N 3.12Å; I196-K199 PolarHBondContact O-N 3.35Å; I196-A200 WeakPolarHBondContact O-CB 3.36Å; I196-A200 PolarHBondContact O-N 3.01Å |
| 197 | E | 84 | Confident | 85.9 | Confident | 33 Ų | 33 | 81 Ų | 81 | 15% | 0.154 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62 | -45.2 | 176.9 | -78.9 | 174.5 | -174.8 | 0 | 0 | 112 | S165 L193 F194 K199 A200 E201 | S165-E197 WeakPolarHBondContact CB-OE1 3.5Å; S165-E197 PolarHBondContact OG-OE1 3.41Å; L193-E197 HydrophobicContact CD1-CG 3.88Å; L193-E197 WeakPolarHBondContact CD1-OE1 3.25Å; L193-E197 PolarHBondContact O-N 2.91Å; F194-E197 PolarHBondContact O-N 3.31Å; E197-K199 VanDerWaalsContact C-N 3.28Å; E197-K199 PolarHBondContact O-N 2.92Å; E197-A200 PolarHBondContact O-N 3.2Å; E197-A200 VanDerWaalsContact O-N 3.17Å; E197-E201 PolarHBondContact O-N 3.43Å |
| 198 | M | 83.4 | Confident | 86.6 | Confident | 102 Ų | 102 | 81.8 Ų | 81.8 | 50% | 0.502 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.6 | -40 | 175.5 | -174.7 | -170.7 | 60.2 | 0 | 0 | 111.6 | F194 V195 R202 | F194-M198 WeakPolarHBondContact O-CB 3.3Å; F194-M198 PolarHBondContact O-N 3.42Å; V195-M198 PolarHBondContact O-N 3.48Å; M198-R202 WeakPolarHBondContact O-CB 3.48Å; M198-R202 PolarHBondContact O-N 2.93Å; M198-R202 VanDerWaalsContact O-N 3.15Å |
| 199 | K | 87.8 | Confident | 87.1 | Confident | 114 Ų | 114 | 83.7 Ų | 83.7 | 50% | 0.496 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.3 | -39.8 | 175.9 | -69 | -70.9 | -175.5 | 178.1 | 0 | 111.7 | V195 I196 E197 R202 V203 | V195-K199 HydrophobicContact CG1-CG 4.35Å; V195-K199 WeakPolarHBondContact O-CB 3.47Å; V195-K199 WeakPolarHBondContact O-CG 3.31Å; V195-K199 PolarHBondContact O-N 3.5Å; I196-K199 PolarHBondContact O-N 3.35Å; E197-K199 VanDerWaalsContact C-N 3.28Å; E197-K199 PolarHBondContact O-N 2.92Å; K199-R202 PolarHBondContact O-N 3.43Å; K199-V203 WeakPolarHBondContact O-CG2 3.32Å; K199-V203 PolarHBondContact O-N 2.84Å |
| 200 | A | 84 | Confident | 87.6 | Confident | 57 Ų | 57 | 85.1 Ų | 85.1 | 47% | 0.471 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I196 E197 R202 V203 Q204 | I196-A200 WeakPolarHBondContact O-CB 3.36Å; I196-A200 PolarHBondContact O-N 3.01Å; E197-A200 PolarHBondContact O-N 3.2Å; E197-A200 VanDerWaalsContact O-N 3.17Å; A200-R202 VanDerWaalsContact C-N 3.31Å; A200-R202 PolarHBondContact O-N 2.86Å; A200-V203 PolarHBondContact O-N 3.2Å; A200-Q204 PolarHBondContact O-N 2.85Å |
| 201 | E | 84.4 | Confident | 88.2 | Confident | 44 Ų | 44 | 85.2 Ų | 85.2 | 21% | 0.206 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 175.5 | -170.8 | 66.9 | -151.9 | 0 | 0 | 111 | L158 R161 E197 V203 Q204 E205 R208 | L158-E201 HydrophobicContact CD1-CG 4.07Å; R161-E201 IonicContact CZ-OE1 3.41Å; R161-E201 IonicContact CZ-OE2 2.87Å; R161-E201 IonicContact NH1-OE1 2.69Å; R161-E201 IonicContact NH1-OE2 3.7Å; R161-E201 PolarHBondContact NH1-OE2 2.9Å; R161-E201 IonicContact NH2-OE1 2.77Å; R161-E201 PolarHBondContact NH2-OE1 3.44Å; R161-E201 IonicContact NH2-OE2 3.46Å; R161-E201 PolarHBondContact NH2-OE2 2.87Å; E197-E201 PolarHBondContact O-N 3.43Å; E201-V203 VanDerWaalsContact C-N 3.34Å; E201-V203 PolarHBondContact O-N 2.92Å; E201-Q204 PolarHBondContact O-N 3.18Å; E201-E205 WeakPolarHBondContact O-CB 3.3Å; E201-E205 PolarHBondContact O-N 2.66Å; E201-R208 IonicContact OE1-NH2 2.84Å; E201-R208 PolarHBondContact OE1-NH2 3.44Å |
| 202 | R | 87.7 | Confident | 88.7 | Confident | 156 Ų | 156 | 87.8 Ų | 87.8 | 59% | 0.589 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62 | -40 | 174.9 | -176.7 | 175.1 | 177 | 170.8 | -0.7 | 112.3 | M198 K199 A200 Q206 | M198-R202 WeakPolarHBondContact O-CB 3.48Å; M198-R202 PolarHBondContact O-N 2.93Å; M198-R202 VanDerWaalsContact O-N 3.15Å; K199-R202 PolarHBondContact O-N 3.43Å; A200-R202 VanDerWaalsContact C-N 3.31Å; A200-R202 PolarHBondContact O-N 2.86Å; R202-Q206 WeakPolarHBondContact O-CG 3.48Å; R202-Q206 PolarHBondContact O-N 3.35Å |
| 203 | V | 90.8 | Very high | 89.2 | Confident | 84 Ų | 84 | 88.4 Ų | 88.4 | 51% | 0.509 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 174.6 | 169.7 | 0 | 0 | 0 | 0 | 110.1 | K199 A200 E201 E205 Q206 S207 | K199-V203 WeakPolarHBondContact O-CG2 3.32Å; K199-V203 PolarHBondContact O-N 2.84Å; A200-V203 PolarHBondContact O-N 3.2Å; E201-V203 VanDerWaalsContact C-N 3.34Å; E201-V203 PolarHBondContact O-N 2.92Å; V203-E205 VanDerWaalsContact C-N 3.33Å; V203-E205 PolarHBondContact O-N 3.49Å; V203-Q206 PolarHBondContact O-N 3.16Å; V203-Q206 VanDerWaalsContact O-N 3.16Å; V203-S207 PolarHBondContact O-N 2.93Å; V203-S207 PolarHBondContact O-OG 2.93Å; V203-S207 VanDerWaalsContact O-OG 3.13Å |
| 204 | Q | 91.5 | Very high | 89.7 | Confident | 95 Ų | 95 | 91.8 Ų | 91.8 | 44% | 0.444 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 177.7 | -170.5 | 179.3 | 2.4 | 0 | 0 | 112.2 | A200 E201 S207 R208 | A200-Q204 PolarHBondContact O-N 2.85Å; E201-Q204 PolarHBondContact O-N 3.18Å; Q204-S207 PolarHBondContact O-N 3.08Å; Q204-R208 WeakPolarHBondContact O-CG 3.45Å; Q204-R208 PolarHBondContact O-N 3.34Å |
| 205 | E | 89.7 | Confident | 90.5 | Very high | 70 Ų | 70 | 90 Ų | 90 | 33% | 0.327 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 173.2 | -179.3 | 61.9 | -141.5 | 0 | 0 | 111.7 | E201 V203 S207 R208 K209 | E201-E205 WeakPolarHBondContact O-CB 3.3Å; E201-E205 PolarHBondContact O-N 2.66Å; V203-E205 VanDerWaalsContact C-N 3.33Å; V203-E205 PolarHBondContact O-N 3.49Å; E205-S207 VanDerWaalsContact C-N 3.33Å; E205-S207 PolarHBondContact O-N 3.32Å; E205-R208 PolarHBondContact O-N 3.02Å; E205-R208 IonicContact OE1-NH1 3.72Å; E205-R208 IonicContact OE2-CZ 3.73Å; E205-R208 IonicContact OE2-NH1 3.49Å; E205-R208 PolarHBondContact OE2-NH1 3.26Å; E205-R208 IonicContact OE2-NH2 3.1Å; E205-R208 PolarHBondContact OE2-NH2 3.49Å; E205-K209 WeakPolarHBondContact O-CG 3.45Å; E205-K209 PolarHBondContact O-N 2.94Å; E205-K209 VanDerWaalsContact OE1-CE 3.24Å; E205-K209 WeakPolarHBondContact OE1-CE 3.36Å |
| 206 | Q | 92.8 | Very high | 91 | Very high | 111 Ų | 111 | 92.5 Ų | 92.5 | 52% | 0.519 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 175.5 | -73.9 | -179.3 | -41.6 | 0 | 0 | 112 | R202 V203 K209 L210 | R202-Q206 WeakPolarHBondContact O-CG 3.48Å; R202-Q206 PolarHBondContact O-N 3.35Å; V203-Q206 PolarHBondContact O-N 3.16Å; V203-Q206 VanDerWaalsContact O-N 3.16Å; Q206-K209 PolarHBondContact O-N 2.92Å; Q206-L210 WeakPolarHBondContact O-CB 3.46Å; Q206-L210 PolarHBondContact O-N 2.97Å |
| 207 | S | 90.3 | Very high | 91.7 | Very high | 66 Ų | 66 | 92 Ų | 92 | 46% | 0.462 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 174.6 | -59.5 | 0 | 0 | 0 | 0 | 112.3 | V203 Q204 E205 L210 Q211 | V203-S207 PolarHBondContact O-N 2.93Å; V203-S207 PolarHBondContact O-OG 2.93Å; V203-S207 VanDerWaalsContact O-OG 3.13Å; Q204-S207 PolarHBondContact O-N 3.08Å; E205-S207 VanDerWaalsContact C-N 3.33Å; E205-S207 PolarHBondContact O-N 3.32Å; S207-L210 WeakPolarHBondContact O-CB 3.32Å; S207-L210 PolarHBondContact O-N 3.44Å; S207-Q211 PolarHBondContact O-N 2.98Å |
| 208 | R | 95.3 | Very high | 92.3 | Very high | 94 Ų | 94 | 97 Ų | 97 | 36% | 0.355 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 174.8 | -75.3 | -172.5 | -88.6 | 108.6 | -0.9 | 111.7 | E201 Q204 E205 L210 Q211 Q212 | E201-R208 IonicContact OE1-NH2 2.84Å; E201-R208 PolarHBondContact OE1-NH2 3.44Å; Q204-R208 WeakPolarHBondContact O-CG 3.45Å; Q204-R208 PolarHBondContact O-N 3.34Å; E205-R208 PolarHBondContact O-N 3.02Å; E205-R208 IonicContact OE1-NH1 3.72Å; E205-R208 IonicContact OE2-CZ 3.73Å; E205-R208 IonicContact OE2-NH1 3.49Å; E205-R208 PolarHBondContact OE2-NH1 3.26Å; E205-R208 IonicContact OE2-NH2 3.1Å; E205-R208 PolarHBondContact OE2-NH2 3.49Å; R208-L210 VanDerWaalsContact C-N 3.34Å; R208-Q211 PolarHBondContact O-N 3.41Å; R208-Q212 WeakPolarHBondContact O-CG 3.36Å; R208-Q212 PolarHBondContact O-N 3.39Å; R208-Q212 VanDerWaalsContact O-N 3.11Å |
| 209 | K | 95.8 | Very high | 93 | Very high | 119 Ų | 119 | 98 Ų | 98 | 52% | 0.517 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 174.3 | -71.2 | 178.1 | -178.9 | 178.6 | 0 | 112.6 | E205 Q206 Q212 M213 | E205-K209 WeakPolarHBondContact O-CG 3.45Å; E205-K209 PolarHBondContact O-N 2.94Å; E205-K209 VanDerWaalsContact OE1-CE 3.24Å; E205-K209 WeakPolarHBondContact OE1-CE 3.36Å; Q206-K209 PolarHBondContact O-N 2.92Å; K209-Q212 PolarHBondContact O-N 3.49Å; K209-M213 PolarHBondContact O-N 2.94Å |
| 210 | L | 94.4 | Very high | 93.5 | Very high | 94 Ų | 94 | 96.8 Ų | 96.8 | 49% | 0.492 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 176.9 | -170 | 68.4 | 0 | 0 | 0 | 110.7 | Q206 S207 R208 Q212 M213 D214 | Q206-L210 WeakPolarHBondContact O-CB 3.46Å; Q206-L210 PolarHBondContact O-N 2.97Å; S207-L210 WeakPolarHBondContact O-CB 3.32Å; S207-L210 PolarHBondContact O-N 3.44Å; R208-L210 VanDerWaalsContact C-N 3.34Å; L210-Q212 PolarHBondContact O-N 2.89Å; L210-M213 HydrophobicContact CD1-CE 3.69Å; L210-M213 WeakPolarHBondContact O-CA 3.41Å; L210-M213 WeakPolarHBondContact O-CB 3.45Å; L210-M213 PolarHBondContact O-N 3.24Å; L210-D214 PolarHBondContact O-N 3.39Å |
| 211 | Q | 93.3 | Very high | 94.2 | Very high | 117 Ų | 117 | 98.5 Ų | 98.5 | 55% | 0.547 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 176.2 | -174.8 | -178.4 | -11.5 | 0 | 0 | 112.5 | S207 R208 M213 D214 E215 | S207-Q211 PolarHBondContact O-N 2.98Å; R208-Q211 PolarHBondContact O-N 3.41Å; Q211-M213 VanDerWaalsContact C-N 3.28Å; Q211-M213 PolarHBondContact O-N 2.99Å; Q211-D214 PolarHBondContact O-N 3.34Å; Q211-E215 WeakPolarHBondContact O-CG 3.39Å; Q211-E215 PolarHBondContact O-N 2.9Å |
| 212 | Q | 96.3 | Very high | 94.8 | Very high | 118 Ų | 118 | 99.2 Ų | 99.2 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.7 | -37.6 | 174.8 | -71.3 | 173.5 | -9.2 | 0 | 0 | 112.2 | R208 K209 L210 L216 | R208-Q212 WeakPolarHBondContact O-CG 3.36Å; R208-Q212 PolarHBondContact O-N 3.39Å; R208-Q212 VanDerWaalsContact O-N 3.11Å; K209-Q212 PolarHBondContact O-N 3.49Å; L210-Q212 PolarHBondContact O-N 2.89Å; Q212-L216 WeakPolarHBondContact O-CG 3.42Å; Q212-L216 PolarHBondContact O-N 3Å; Q212-L216 VanDerWaalsContact O-N 3.12Å |
| 213 | M | 96.4 | Very high | 95.4 | Very high | 103 Ų | 103 | 96.1 Ų | 96.1 | 51% | 0.507 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.8 | -42.1 | 175.7 | -170.8 | -179.3 | 78.3 | 0 | 0 | 111.2 | K209 L210 Q211 E215 L216 V217 | K209-M213 PolarHBondContact O-N 2.94Å; L210-M213 HydrophobicContact CD1-CE 3.69Å; L210-M213 WeakPolarHBondContact O-CA 3.41Å; L210-M213 WeakPolarHBondContact O-CB 3.45Å; L210-M213 PolarHBondContact O-N 3.24Å; Q211-M213 VanDerWaalsContact C-N 3.28Å; Q211-M213 PolarHBondContact O-N 2.99Å; M213-E215 PolarHBondContact O-N 3.42Å; M213-L216 WeakPolarHBondContact O-CB 3.48Å; M213-L216 PolarHBondContact O-N 3.4Å; M213-L216 VanDerWaalsContact O-N 3.16Å; M213-V217 WeakPolarHBondContact O-CG2 3.32Å; M213-V217 PolarHBondContact O-N 3.32Å |
| 214 | D | 94.7 | Very high | 95.7 | Very high | 81 Ų | 81 | 96.8 Ų | 96.8 | 43% | 0.433 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 176 | -65.5 | -28.1 | 0 | 0 | 0 | 111.1 | L210 Q211 L216 V217 E218 | L210-D214 PolarHBondContact O-N 3.39Å; Q211-D214 PolarHBondContact O-N 3.34Å; D214-L216 VanDerWaalsContact C-N 3.29Å; D214-L216 PolarHBondContact O-N 3.26Å; D214-V217 WeakPolarHBondContact O-CB 3.32Å; D214-V217 PolarHBondContact O-N 2.9Å; D214-V217 VanDerWaalsContact O-N 3.15Å; D214-E218 PolarHBondContact O-N 3.17Å |
| 215 | E | 96.9 | Very high | 96 | Very high | 85 Ų | 85 | 97.8 Ų | 97.8 | 40% | 0.397 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.8 | -36.2 | 174.5 | -71.9 | 176.1 | -161.5 | 0 | 0 | 112.9 | Q211 M213 K219 | Q211-E215 WeakPolarHBondContact O-CG 3.39Å; Q211-E215 PolarHBondContact O-N 2.9Å; M213-E215 PolarHBondContact O-N 3.42Å; E215-K219 WeakPolarHBondContact O-CG 3.46Å; E215-K219 PolarHBondContact O-N 3.44Å; E215-K219 VanDerWaalsContact O-N 3.12Å |
| 216 | L | 98.1 | Very high | 96.4 | Very high | 112 Ų | 112 | 99.6 Ų | 99.6 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.2 | -38.2 | 175.6 | -73.8 | 172.7 | 0 | 0 | 0 | 111.8 | Q212 M213 D214 K219 N220 | Q212-L216 WeakPolarHBondContact O-CG 3.42Å; Q212-L216 PolarHBondContact O-N 3Å; Q212-L216 VanDerWaalsContact O-N 3.12Å; M213-L216 WeakPolarHBondContact O-CB 3.48Å; M213-L216 PolarHBondContact O-N 3.4Å; M213-L216 VanDerWaalsContact O-N 3.16Å; D214-L216 VanDerWaalsContact C-N 3.29Å; D214-L216 PolarHBondContact O-N 3.26Å; L216-K219 PolarHBondContact O-N 2.94Å; L216-N220 WeakPolarHBondContact O-CB 3.37Å; L216-N220 PolarHBondContact O-N 3.15Å |
| 217 | V | 97.9 | Very high | 96.7 | Very high | 77 Ų | 77 | 99.2 Ų | 99.2 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -46 | 174.8 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | M213 D214 K219 N220 L221 | M213-V217 WeakPolarHBondContact O-CG2 3.32Å; M213-V217 PolarHBondContact O-N 3.32Å; D214-V217 WeakPolarHBondContact O-CB 3.32Å; D214-V217 PolarHBondContact O-N 2.9Å; D214-V217 VanDerWaalsContact O-N 3.15Å; V217-K219 VanDerWaalsContact C-N 3.35Å; V217-K219 PolarHBondContact O-N 3Å; V217-N220 PolarHBondContact O-N 2.94Å; V217-N220 VanDerWaalsContact O-N 3.16Å; V217-L221 HydrophobicContact CG1-CD1 4.23Å; V217-L221 WeakPolarHBondContact O-CG 3.37Å; V217-L221 PolarHBondContact O-N 3.5Å |
| 218 | E | 97.7 | Very high | 97.1 | Very high | 137 Ų | 137 | 100.3 Ų | 100.3 | 64% | 0.64 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.2 | -44 | 176.1 | -71.8 | -177.9 | 171.1 | 0 | 0 | 112.4 | D214 N220 L221 S222 | D214-E218 PolarHBondContact O-N 3.17Å; E218-N220 VanDerWaalsContact C-N 3.33Å; E218-N220 PolarHBondContact O-N 2.96Å; E218-L221 PolarHBondContact O-N 2.99Å; E218-S222 PolarHBondContact O-N 3.47Å |
| 219 | K | 97.9 | Very high | 97.2 | Very high | 123 Ų | 123 | 100.6 Ų | 100.6 | 54% | 0.535 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 174.9 | -75.3 | 170 | -175.9 | 157.5 | 0 | 112 | E215 L216 V217 S222 L223 | E215-K219 WeakPolarHBondContact O-CG 3.46Å; E215-K219 PolarHBondContact O-N 3.44Å; E215-K219 VanDerWaalsContact O-N 3.12Å; L216-K219 PolarHBondContact O-N 2.94Å; V217-K219 VanDerWaalsContact C-N 3.35Å; V217-K219 PolarHBondContact O-N 3Å; K219-S222 PolarHBondContact O-N 2.94Å; K219-L223 WeakPolarHBondContact O-CG 3.3Å; K219-L223 PolarHBondContact O-N 3.29Å |
| 220 | N | 97.9 | Very high | 97.4 | Very high | 89 Ų | 89 | 98.4 Ų | 98.4 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 178.8 | -165.5 | 1.3 | 0 | 0 | 0 | 111.1 | L216 V217 E218 S222 L223 E224 | L216-N220 WeakPolarHBondContact O-CB 3.37Å; L216-N220 PolarHBondContact O-N 3.15Å; V217-N220 PolarHBondContact O-N 2.94Å; V217-N220 VanDerWaalsContact O-N 3.16Å; E218-N220 VanDerWaalsContact C-N 3.33Å; E218-N220 PolarHBondContact O-N 2.96Å; N220-S222 VanDerWaalsContact C-N 3.3Å; N220-S222 PolarHBondContact O-N 2.87Å; N220-L223 WeakPolarHBondContact O-CB 3.21Å; N220-L223 PolarHBondContact O-N 3.41Å; N220-E224 WeakPolarHBondContact O-CG 3.4Å; N220-E224 PolarHBondContact O-N 2.97Å |
| 221 | L | 98.3 | Very high | 97.6 | Very high | 93 Ų | 93 | 99.1 Ų | 99.1 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.7 | -43.9 | 174.7 | -69.4 | 172.1 | 0 | 0 | 0 | 111.9 | V217 E218 L223 E224 D225 | V217-L221 HydrophobicContact CG1-CD1 4.23Å; V217-L221 WeakPolarHBondContact O-CG 3.37Å; V217-L221 PolarHBondContact O-N 3.5Å; E218-L221 PolarHBondContact O-N 2.99Å; L221-L223 VanDerWaalsContact C-N 3.31Å; L221-L223 PolarHBondContact O-N 2.84Å; L221-E224 PolarHBondContact O-N 2.98Å; L221-D225 PolarHBondContact O-N 3.23Å |
| 222 | S | 98.1 | Very high | 97.8 | Very high | 59 Ų | 59 | 99.2 Ų | 99.2 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -35.4 | 175.9 | -179.3 | 0 | 0 | 0 | 0 | 113.2 | E218 K219 N220 Q226 | E218-S222 PolarHBondContact O-N 3.47Å; K219-S222 PolarHBondContact O-N 2.94Å; N220-S222 VanDerWaalsContact C-N 3.3Å; N220-S222 PolarHBondContact O-N 2.87Å; S222-Q226 VanDerWaalsContact O-CG 3.32Å; S222-Q226 WeakPolarHBondContact O-CG 3.28Å; S222-Q226 PolarHBondContact O-N 3.25Å; S222-Q226 VanDerWaalsContact O-N 3.14Å; S222-Q226 PolarHBondContact O-NE2 2.91Å; S222-Q226 PolarHBondContact OG-NE2 3.36Å |
| 223 | L | 98.4 | Very high | 97.9 | Very high | 92 Ų | 92 | 98.1 Ų | 98.1 | 48% | 0.482 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.6 | -38.6 | 175.3 | -71.4 | 172.1 | 0 | 0 | 0 | 111.8 | K219 N220 L221 D225 Q226 I227 | K219-L223 WeakPolarHBondContact O-CG 3.3Å; K219-L223 PolarHBondContact O-N 3.29Å; N220-L223 WeakPolarHBondContact O-CB 3.21Å; N220-L223 PolarHBondContact O-N 3.41Å; L221-L223 VanDerWaalsContact C-N 3.31Å; L221-L223 PolarHBondContact O-N 2.84Å; L223-D225 VanDerWaalsContact C-N 3.34Å; L223-Q226 PolarHBondContact O-N 3.42Å; L223-I227 VanDerWaalsContact O-CG1 3.32Å; L223-I227 WeakPolarHBondContact O-CG1 3.34Å; L223-I227 PolarHBondContact O-N 3.41Å |
| 224 | E | 98.3 | Very high | 98 | Very high | 97 Ų | 97 | 97 Ų | 97 | 45% | 0.453 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59 | -45.9 | 173.2 | -72 | 178.1 | 173.5 | 0 | 0 | 110.9 | N220 L221 Q226 I227 V228 | N220-E224 WeakPolarHBondContact O-CG 3.4Å; N220-E224 PolarHBondContact O-N 2.97Å; L221-E224 PolarHBondContact O-N 2.98Å; E224-Q226 VanDerWaalsContact C-N 3.33Å; E224-Q226 PolarHBondContact O-N 3.48Å; E224-I227 WeakPolarHBondContact O-CB 3.49Å; E224-I227 PolarHBondContact O-N 2.98Å; E224-V228 WeakPolarHBondContact O-CG2 3.23Å; E224-V228 PolarHBondContact O-N 3.24Å |
| 225 | D | 98.3 | Very high | 98.2 | Very high | 116 Ų | 116 | 97.7 Ų | 97.7 | 62% | 0.62 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.7 | -42.3 | 175.2 | -75.4 | -21.3 | 0 | 0 | 0 | 112.2 | L221 L223 V228 H229 | L221-D225 PolarHBondContact O-N 3.23Å; L223-D225 VanDerWaalsContact C-N 3.34Å; D225-V228 PolarHBondContact O-N 2.92Å; D225-H229 PolarHBondContact O-N 2.66Å |
| 226 | Q | 98.3 | Very high | 98.2 | Very high | 108 Ų | 108 | 98 Ų | 98 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 175.9 | -74.4 | 172.6 | 58.6 | 0 | 0 | 112.1 | S222 L223 E224 H229 V230 | S222-Q226 VanDerWaalsContact O-CG 3.32Å; S222-Q226 WeakPolarHBondContact O-CG 3.28Å; S222-Q226 PolarHBondContact O-N 3.25Å; S222-Q226 VanDerWaalsContact O-N 3.14Å; S222-Q226 PolarHBondContact O-NE2 2.91Å; S222-Q226 PolarHBondContact OG-NE2 3.36Å; L223-Q226 PolarHBondContact O-N 3.42Å; E224-Q226 VanDerWaalsContact C-N 3.33Å; E224-Q226 PolarHBondContact O-N 3.48Å; Q226-H229 PolarHBondContact O-N 2.93Å; Q226-V230 WeakPolarHBondContact O-CG2 3.43Å; Q226-V230 PolarHBondContact O-N 3.4Å |
| 227 | I | 98.4 | Very high | 98.3 | Very high | 103 Ų | 103 | 96.6 Ų | 96.6 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 176 | -73 | 166.7 | 0 | 0 | 0 | 110 | L223 E224 H229 V230 L231 | L223-I227 VanDerWaalsContact O-CG1 3.32Å; L223-I227 WeakPolarHBondContact O-CG1 3.34Å; L223-I227 PolarHBondContact O-N 3.41Å; E224-I227 WeakPolarHBondContact O-CB 3.49Å; E224-I227 PolarHBondContact O-N 2.98Å; I227-H229 VanDerWaalsContact C-N 3.32Å; I227-H229 PolarHBondContact O-N 3.47Å; I227-V230 PolarHBondContact O-N 2.99Å; I227-L231 HydrophobicContact CG2-CD1 3.86Å; I227-L231 HydrophobicContact CG2-CG 4.29Å; I227-L231 WeakPolarHBondContact O-CB 3.25Å; I227-L231 VanDerWaalsContact O-CG 3.32Å; I227-L231 WeakPolarHBondContact O-CG 3.48Å; I227-L231 PolarHBondContact O-N 3.37Å |
| 228 | V | 98.4 | Very high | 98.3 | Very high | 89 Ų | 89 | 98.2 Ų | 98.2 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.4 | -46 | 177.7 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | E224 D225 V230 L231 Q232 | E224-V228 WeakPolarHBondContact O-CG2 3.23Å; E224-V228 PolarHBondContact O-N 3.24Å; D225-V228 PolarHBondContact O-N 2.92Å; V228-V230 PolarHBondContact O-N 3.45Å; V228-L231 PolarHBondContact O-N 2.92Å; V228-Q232 PolarHBondContact O-N 3.43Å |
| 229 | H | 98.4 | Very high | 98.3 | Very high | 101 Ų | 101 | 95 Ų | 95 | 47% | 0.468 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 177.3 | 178 | -93.4 | 0 | 0 | 0 | 112.4 | D225 Q226 I227 L231 Q232 Q233 | D225-H229 PolarHBondContact O-N 2.66Å; Q226-H229 PolarHBondContact O-N 2.93Å; I227-H229 VanDerWaalsContact C-N 3.32Å; I227-H229 PolarHBondContact O-N 3.47Å; H229-L231 VanDerWaalsContact C-N 3.35Å; H229-L231 PolarHBondContact O-N 2.84Å; H229-Q232 WeakPolarHBondContact O-CB 3.33Å; H229-Q232 PolarHBondContact O-N 2.94Å; H229-Q233 PolarHBondContact CE1-NE2 3.23Å; H229-Q233 PolarHBondContact CE1-OE1 3.48Å; H229-Q233 WeakPolarHBondContact O-CG 3.34Å; H229-Q233 PolarHBondContact O-N 2.87Å |
| 230 | V | 98.5 | Very high | 98.4 | Very high | 72 Ų | 72 | 97.1 Ų | 97.1 | 44% | 0.436 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.4 | -37.8 | 177.8 | 169.9 | 0 | 0 | 0 | 0 | 111.7 | Q226 I227 V228 Q232 Q233 N234 | Q226-V230 WeakPolarHBondContact O-CG2 3.43Å; Q226-V230 PolarHBondContact O-N 3.4Å; I227-V230 PolarHBondContact O-N 2.99Å; V228-V230 PolarHBondContact O-N 3.45Å; V230-Q232 VanDerWaalsContact C-N 3.35Å; V230-Q233 PolarHBondContact O-N 3.49Å; V230-N234 WeakPolarHBondContact CG1-ND2 3.32Å; V230-N234 PolarHBondContact O-N 3.48Å; V230-N234 PolarHBondContact O-ND2 3.43Å |
| 231 | L | 98.4 | Very high | 98.4 | Very high | 109 Ų | 109 | 97.2 Ų | 97.2 | 57% | 0.571 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.7 | -42.4 | 174.8 | -74.8 | 174 | 0 | 0 | 0 | 111.2 | I227 V228 H229 N234 E235 | I227-L231 HydrophobicContact CG2-CD1 3.86Å; I227-L231 HydrophobicContact CG2-CG 4.29Å; I227-L231 WeakPolarHBondContact O-CB 3.25Å; I227-L231 VanDerWaalsContact O-CG 3.32Å; I227-L231 WeakPolarHBondContact O-CG 3.48Å; I227-L231 PolarHBondContact O-N 3.37Å; V228-L231 PolarHBondContact O-N 2.92Å; H229-L231 VanDerWaalsContact C-N 3.35Å; H229-L231 PolarHBondContact O-N 2.84Å; L231-N234 PolarHBondContact O-N 3.33Å; L231-E235 PolarHBondContact O-N 2.69Å |
| 232 | Q | 98.3 | Very high | 98.4 | Very high | 120 Ų | 120 | 96.9 Ų | 96.9 | 56% | 0.561 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.4 | -46.2 | 175.3 | -174.4 | 169.8 | 3.6 | 0 | 0 | 111.6 | V228 H229 V230 N234 E235 D236 | V228-Q232 PolarHBondContact O-N 3.43Å; H229-Q232 WeakPolarHBondContact O-CB 3.33Å; H229-Q232 PolarHBondContact O-N 2.94Å; V230-Q232 VanDerWaalsContact C-N 3.35Å; Q232-N234 VanDerWaalsContact C-N 3.32Å; Q232-N234 PolarHBondContact O-N 2.84Å; Q232-E235 PolarHBondContact O-N 2.87Å; Q232-D236 PolarHBondContact O-N 3.49Å |
| 233 | Q | 98.3 | Very high | 98.4 | Very high | 94 Ų | 94 | 99 Ų | 99 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 175.8 | -70.8 | -176.3 | -44.9 | 0 | 0 | 112.9 | H229 V230 E235 D236 L237 | H229-Q233 PolarHBondContact CE1-NE2 3.23Å; H229-Q233 PolarHBondContact CE1-OE1 3.48Å; H229-Q233 WeakPolarHBondContact O-CG 3.34Å; H229-Q233 PolarHBondContact O-N 2.87Å; V230-Q233 PolarHBondContact O-N 3.49Å; Q233-E235 VanDerWaalsContact C-N 3.34Å; Q233-D236 PolarHBondContact O-N 3.17Å; Q233-L237 WeakPolarHBondContact O-CG 3.38Å; Q233-L237 PolarHBondContact O-N 2.9Å |
| 234 | N | 98.3 | Very high | 98.4 | Very high | 79 Ų | 79 | 98.2 Ų | 98.2 | 42% | 0.422 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 175.4 | -86.9 | -68.7 | 0 | 0 | 0 | 111.8 | V230 L231 Q232 L237 K238 | V230-N234 WeakPolarHBondContact CG1-ND2 3.32Å; V230-N234 PolarHBondContact O-N 3.48Å; V230-N234 PolarHBondContact O-ND2 3.43Å; L231-N234 PolarHBondContact O-N 3.33Å; Q232-N234 VanDerWaalsContact C-N 3.32Å; Q232-N234 PolarHBondContact O-N 2.84Å; N234-L237 PolarHBondContact O-N 2.89Å; N234-K238 WeakPolarHBondContact O-CG 3.3Å; N234-K238 PolarHBondContact O-N 3.37Å |
| 235 | E | 98.4 | Very high | 98.4 | Very high | 97 Ų | 97 | 98.2 Ų | 98.2 | 45% | 0.453 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 177.7 | -163.2 | 57.5 | -151.8 | 0 | 0 | 111.2 | L231 Q232 Q233 L237 K238 V239 | L231-E235 PolarHBondContact O-N 2.69Å; Q232-E235 PolarHBondContact O-N 2.87Å; Q233-E235 VanDerWaalsContact C-N 3.34Å; E235-L237 VanDerWaalsContact C-N 3.28Å; E235-L237 PolarHBondContact O-N 2.9Å; E235-K238 WeakPolarHBondContact O-CB 3.26Å; E235-K238 PolarHBondContact O-N 3.24Å; E235-K238 VanDerWaalsContact O-N 3.14Å; E235-K238 IonicContact OE2-NZ 3.05Å; E235-K238 PolarHBondContact OE2-NZ 2.95Å; E235-V239 WeakPolarHBondContact O-CG2 3.39Å; E235-V239 PolarHBondContact O-N 3.47Å |
| 236 | D | 98.4 | Very high | 98.4 | Very high | 91 Ų | 91 | 96 Ų | 96 | 49% | 0.487 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58 | -41.1 | 173.2 | -71.4 | -18.1 | 0 | 0 | 0 | 111.9 | Q232 Q233 R240 | Q232-D236 PolarHBondContact O-N 3.49Å; Q233-D236 PolarHBondContact O-N 3.17Å; D236-R240 VanDerWaalsContact O-CG 3.31Å; D236-R240 WeakPolarHBondContact O-CG 3.32Å; D236-R240 PolarHBondContact O-N 2.94Å |
| 237 | L | 98.5 | Very high | 98.4 | Very high | 83 Ų | 83 | 94.6 Ų | 94.6 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.3 | -40.6 | 176 | -74.1 | 174 | 0 | 0 | 0 | 112.5 | Q233 N234 E235 R240 I241 | Q233-L237 WeakPolarHBondContact O-CG 3.38Å; Q233-L237 PolarHBondContact O-N 2.9Å; N234-L237 PolarHBondContact O-N 2.89Å; E235-L237 VanDerWaalsContact C-N 3.28Å; E235-L237 PolarHBondContact O-N 2.9Å; L237-R240 WeakPolarHBondContact O-CB 3.49Å; L237-R240 PolarHBondContact O-N 3.44Å; L237-I241 WeakPolarHBondContact O-CG1 3.41Å; L237-I241 PolarHBondContact O-N 2.68Å |
| 238 | K | 98.4 | Very high | 98.4 | Very high | 111 Ų | 111 | 94.7 Ų | 94.7 | 48% | 0.483 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.9 | -47.7 | 175 | -73.9 | 176.5 | -167.3 | 162.2 | 0 | 111.2 | N234 E235 R240 I241 D242 | N234-K238 WeakPolarHBondContact O-CG 3.3Å; N234-K238 PolarHBondContact O-N 3.37Å; E235-K238 WeakPolarHBondContact O-CB 3.26Å; E235-K238 PolarHBondContact O-N 3.24Å; E235-K238 VanDerWaalsContact O-N 3.14Å; E235-K238 IonicContact OE2-NZ 3.05Å; E235-K238 PolarHBondContact OE2-NZ 2.95Å; K238-R240 PolarHBondContact O-N 3.34Å; K238-I241 WeakPolarHBondContact O-CA 3.3Å; K238-I241 WeakPolarHBondContact O-CB 3.43Å; K238-I241 PolarHBondContact O-N 3.47Å; K238-D242 PolarHBondContact O-N 2.85Å |
| 239 | V | 98.6 | Very high | 98.4 | Very high | 70 Ų | 70 | 96.7 Ų | 96.7 | 42% | 0.424 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57 | -41.3 | 176.2 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | E235 D242 N243 | E235-V239 WeakPolarHBondContact O-CG2 3.39Å; E235-V239 PolarHBondContact O-N 3.47Å; V239-D242 PolarHBondContact O-N 3.26Å; V239-N243 WeakPolarHBondContact O-CB 3.33Å; V239-N243 VanDerWaalsContact O-CG 3.23Å; V239-N243 PolarHBondContact O-N 2.85Å; V239-N243 PolarHBondContact O-ND2 2.85Å |
| 240 | R | 98.5 | Very high | 98.4 | Very high | 166 Ų | 166 | 96.9 Ų | 96.9 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.1 | -41.9 | 174.6 | -72.8 | 173.3 | 62.5 | -160.8 | -2.5 | 112.7 | D236 L237 K238 N243 C244 | D236-R240 VanDerWaalsContact O-CG 3.31Å; D236-R240 WeakPolarHBondContact O-CG 3.32Å; D236-R240 PolarHBondContact O-N 2.94Å; L237-R240 WeakPolarHBondContact O-CB 3.49Å; L237-R240 PolarHBondContact O-N 3.44Å; K238-R240 PolarHBondContact O-N 3.34Å; R240-N243 PolarHBondContact O-N 2.77Å; R240-C244 PolarHBondContact O-N 3.26Å; R240-C244 PolarHBondContact O-SG 2.98Å; R240-C244 VanDerWaalsContact O-SG 3.42Å |
| 241 | I | 98.5 | Very high | 98.3 | Very high | 91 Ų | 91 | 99 Ų | 99 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 176.8 | -72.4 | 165.9 | 0 | 0 | 0 | 110.2 | L237 K238 N243 C244 Q245 | L237-I241 WeakPolarHBondContact O-CG1 3.41Å; L237-I241 PolarHBondContact O-N 2.68Å; K238-I241 WeakPolarHBondContact O-CA 3.3Å; K238-I241 WeakPolarHBondContact O-CB 3.43Å; K238-I241 PolarHBondContact O-N 3.47Å; I241-N243 VanDerWaalsContact C-N 3.31Å; I241-N243 PolarHBondContact O-N 3.33Å; I241-C244 WeakPolarHBondContact O-CB 3.3Å; I241-C244 PolarHBondContact O-N 2.92Å; I241-C244 VanDerWaalsContact O-N 3.12Å; I241-Q245 HydrophobicContact CG2-CG 4.28Å; I241-Q245 WeakPolarHBondContact O-CG 3.3Å; I241-Q245 PolarHBondContact O-N 2.94Å |
| 242 | D | 98.4 | Very high | 98.3 | Very high | 86 Ų | 86 | 96.8 Ų | 96.8 | 46% | 0.46 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62 | -39.3 | 179.8 | -68 | -14 | 0 | 0 | 0 | 111.6 | K238 V239 Q245 T246 | K238-D242 PolarHBondContact O-N 2.85Å; V239-D242 PolarHBondContact O-N 3.26Å; D242-Q245 PolarHBondContact O-N 3.35Å; D242-T246 WeakPolarHBondContact O-CB 3.46Å; D242-T246 PolarHBondContact O-N 3.47Å; D242-T246 PolarHBondContact O-OG1 3.4Å |
| 243 | N | 98.3 | Very high | 98.3 | Very high | 104 Ų | 104 | 97.9 Ų | 97.9 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.1 | -46 | 172.6 | -72.9 | -24.1 | 0 | 0 | 0 | 111.9 | V239 R240 I241 T246 L247 | V239-N243 WeakPolarHBondContact O-CB 3.33Å; V239-N243 VanDerWaalsContact O-CG 3.23Å; V239-N243 PolarHBondContact O-N 2.85Å; V239-N243 PolarHBondContact O-ND2 2.85Å; R240-N243 PolarHBondContact O-N 2.77Å; I241-N243 VanDerWaalsContact C-N 3.31Å; I241-N243 PolarHBondContact O-N 3.33Å; N243-T246 WeakPolarHBondContact O-CB 3.29Å; N243-T246 PolarHBondContact O-N 2.97Å; N243-L247 PolarHBondContact O-N 2.67Å |
| 244 | C | 98.1 | Very high | 98.3 | Very high | 75 Ų | 75 | 98.5 Ų | 98.5 | 51% | 0.507 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 176.2 | -73 | 0 | 0 | 0 | 0 | 112.1 | R240 I241 T246 L247 I248 | R240-C244 PolarHBondContact O-N 3.26Å; R240-C244 PolarHBondContact O-SG 2.98Å; R240-C244 VanDerWaalsContact O-SG 3.42Å; I241-C244 WeakPolarHBondContact O-CB 3.3Å; I241-C244 PolarHBondContact O-N 2.92Å; I241-C244 VanDerWaalsContact O-N 3.12Å; C244-T246 VanDerWaalsContact C-N 3.34Å; C244-T246 PolarHBondContact O-N 3.46Å; C244-L247 PolarHBondContact O-N 2.84Å; C244-I248 VanDerWaalsContact O-CG1 3.29Å; C244-I248 WeakPolarHBondContact O-CG1 3.26Å; C244-I248 PolarHBondContact O-N 3.06Å |
| 245 | Q | 98.5 | Very high | 98.3 | Very high | 98 Ų | 98 | 101.5 Ų | 101.5 | 46% | 0.458 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 176 | -73.4 | 179.2 | 8.9 | 0 | 0 | 111.4 | I241 D242 L247 I248 Q249 | I241-Q245 HydrophobicContact CG2-CG 4.28Å; I241-Q245 WeakPolarHBondContact O-CG 3.3Å; I241-Q245 PolarHBondContact O-N 2.94Å; D242-Q245 PolarHBondContact O-N 3.35Å; Q245-L247 VanDerWaalsContact C-N 3.31Å; Q245-L247 PolarHBondContact O-N 3.16Å; Q245-I248 PolarHBondContact O-N 3.11Å; Q245-Q249 WeakPolarHBondContact O-CG 3.28Å; Q245-Q249 PolarHBondContact O-N 3.35Å |
| 246 | T | 98.3 | Very high | 98.3 | Very high | 68 Ų | 68 | 101.7 Ų | 101.7 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.5 | -45 | 174.9 | -58.7 | 0 | 0 | 0 | 0 | 111 | D242 N243 C244 Q249 Q250 | D242-T246 WeakPolarHBondContact O-CB 3.46Å; D242-T246 PolarHBondContact O-N 3.47Å; D242-T246 PolarHBondContact O-OG1 3.4Å; N243-T246 WeakPolarHBondContact O-CB 3.29Å; N243-T246 PolarHBondContact O-N 2.97Å; C244-T246 VanDerWaalsContact C-N 3.34Å; C244-T246 PolarHBondContact O-N 3.46Å; T246-Q249 PolarHBondContact O-N 2.97Å; T246-Q250 WeakPolarHBondContact O-CG 3.42Å; T246-Q250 PolarHBondContact O-N 2.91Å |
| 247 | L | 98.2 | Very high | 98.3 | Very high | 80 Ų | 80 | 101.8 Ų | 101.8 | 42% | 0.419 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 177.3 | -175.6 | 62.9 | 0 | 0 | 0 | 112.4 | N243 C244 Q245 Q249 Q250 F251 | N243-L247 PolarHBondContact O-N 2.67Å; C244-L247 PolarHBondContact O-N 2.84Å; Q245-L247 VanDerWaalsContact C-N 3.31Å; Q245-L247 PolarHBondContact O-N 3.16Å; L247-Q249 VanDerWaalsContact C-N 3.33Å; L247-Q249 PolarHBondContact O-N 3.37Å; L247-Q250 PolarHBondContact O-N 3.44Å; L247-F251 HydrophobicContact CD1-CD2 4.05Å; L247-F251 HydrophobicContact CD1-CE2 3.54Å; L247-F251 HydrophobicContact CD1-CZ 3.8Å; L247-F251 HydrophobicContact CD2-CE2 3.8Å; L247-F251 HydrophobicContact CG-CD2 3.81Å; L247-F251 HydrophobicContact CG-CE2 3.43Å; L247-F251 VanDerWaalsContact CG-CE2 3.43Å; L247-F251 HydrophobicContact CG-CZ 4.2Å; L247-F251 WeakPolarHBondContact O-CD2 3.46Å; L247-F251 PolarHBondContact O-N 2.93Å |
| 248 | I | 98.3 | Very high | 98.3 | Very high | 104 Ų | 104 | 103.9 Ų | 103.9 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 175.3 | -70.5 | 165 | 0 | 0 | 0 | 110.8 | C244 Q245 Q250 F251 S252 | C244-I248 VanDerWaalsContact O-CG1 3.29Å; C244-I248 WeakPolarHBondContact O-CG1 3.26Å; C244-I248 PolarHBondContact O-N 3.06Å; Q245-I248 PolarHBondContact O-N 3.11Å; I248-Q250 VanDerWaalsContact C-N 3.34Å; I248-F251 PolarHBondContact O-N 3.34Å; I248-S252 WeakPolarHBondContact O-CB 3.35Å; I248-S252 PolarHBondContact O-N 3.33Å; I248-S252 PolarHBondContact O-OG 3.27Å |
| 249 | Q | 98.3 | Very high | 98.3 | Very high | 131 Ų | 131 | 104 Ų | 104 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.8 | -41.8 | 176.5 | -71.3 | 174.9 | 7.6 | 0 | 0 | 111.5 | Q245 T246 L247 S252 K253 | Q245-Q249 WeakPolarHBondContact O-CG 3.28Å; Q245-Q249 PolarHBondContact O-N 3.35Å; T246-Q249 PolarHBondContact O-N 2.97Å; L247-Q249 VanDerWaalsContact C-N 3.33Å; L247-Q249 PolarHBondContact O-N 3.37Å; Q249-S252 PolarHBondContact O-N 3.45Å; Q249-K253 PolarHBondContact O-N 2.99Å |
| 250 | Q | 98.2 | Very high | 98.3 | Very high | 106 Ų | 106 | 102.4 Ų | 102.4 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.9 | -52.1 | 175.3 | -73.7 | 176.1 | -4.7 | 0 | 0 | 111.7 | T246 L247 I248 S252 K253 E254 | T246-Q250 WeakPolarHBondContact O-CG 3.42Å; T246-Q250 PolarHBondContact O-N 2.91Å; L247-Q250 PolarHBondContact O-N 3.44Å; I248-Q250 VanDerWaalsContact C-N 3.34Å; Q250-S252 VanDerWaalsContact C-N 3.3Å; Q250-S252 PolarHBondContact O-N 2.99Å; Q250-K253 WeakPolarHBondContact O-CB 3.37Å; Q250-K253 PolarHBondContact O-N 2.92Å; Q250-K253 VanDerWaalsContact O-N 3.14Å; Q250-E254 PolarHBondContact O-N 2.99Å |
| 251 | F | 98.2 | Very high | 98.2 | Very high | 117 Ų | 117 | 96.9 Ų | 96.9 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -37.3 | 177.9 | -74.2 | -45 | 0 | 0 | 0 | 113 | L247 I248 K253 E254 Q255 | L247-F251 HydrophobicContact CD1-CD2 4.05Å; L247-F251 HydrophobicContact CD1-CE2 3.54Å; L247-F251 HydrophobicContact CD1-CZ 3.8Å; L247-F251 HydrophobicContact CD2-CE2 3.8Å; L247-F251 HydrophobicContact CG-CD2 3.81Å; L247-F251 HydrophobicContact CG-CE2 3.43Å; L247-F251 VanDerWaalsContact CG-CE2 3.43Å; L247-F251 HydrophobicContact CG-CZ 4.2Å; L247-F251 WeakPolarHBondContact O-CD2 3.46Å; L247-F251 PolarHBondContact O-N 2.93Å; I248-F251 PolarHBondContact O-N 3.34Å; F251-K253 VanDerWaalsContact C-N 3.31Å; F251-K253 PolarHBondContact O-N 2.67Å; F251-E254 PolarHBondContact O-N 3.21Å; F251-Q255 WeakPolarHBondContact O-CB 3.43Å; F251-Q255 PolarHBondContact O-N 3.01Å |
| 252 | S | 98.2 | Very high | 98.2 | Very high | 61 Ų | 61 | 97.5 Ų | 97.5 | 43% | 0.427 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 176.5 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | I248 Q249 Q250 Q256 | I248-S252 WeakPolarHBondContact O-CB 3.35Å; I248-S252 PolarHBondContact O-N 3.33Å; I248-S252 PolarHBondContact O-OG 3.27Å; Q249-S252 PolarHBondContact O-N 3.45Å; Q250-S252 VanDerWaalsContact C-N 3.3Å; Q250-S252 PolarHBondContact O-N 2.99Å; S252-Q256 PolarHBondContact O-N 2.9Å; S252-Q256 VanDerWaalsContact O-N 3.08Å |
| 253 | K | 98.2 | Very high | 98.2 | Very high | 144 Ų | 144 | 98 Ų | 98 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.7 | -49 | 174.3 | -176.6 | -177.2 | 175.1 | -174.4 | 0 | 111.2 | Q249 Q250 F251 Q255 Q256 D257 | Q249-K253 PolarHBondContact O-N 2.99Å; Q250-K253 WeakPolarHBondContact O-CB 3.37Å; Q250-K253 PolarHBondContact O-N 2.92Å; Q250-K253 VanDerWaalsContact O-N 3.14Å; F251-K253 VanDerWaalsContact C-N 3.31Å; F251-K253 PolarHBondContact O-N 2.67Å; K253-Q255 VanDerWaalsContact C-N 3.3Å; K253-Q255 PolarHBondContact O-N 2.88Å; K253-Q256 PolarHBondContact O-N 3.02Å; K253-Q256 VanDerWaalsContact O-N 3.14Å; K253-D257 PolarHBondContact O-N 3.15Å |
| 254 | E | 98.2 | Very high | 98.2 | Very high | 106 Ų | 106 | 101.3 Ų | 101.3 | 50% | 0.495 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.6 | -41.9 | 177.4 | -71.3 | 177.2 | -178.1 | 0 | 0 | 111.9 | Q250 F251 Q256 D257 L258 | Q250-E254 PolarHBondContact O-N 2.99Å; F251-E254 PolarHBondContact O-N 3.21Å; E254-Q256 VanDerWaalsContact C-N 3.34Å; E254-Q256 PolarHBondContact O-N 3.22Å; E254-D257 PolarHBondContact O-N 3.4Å; E254-L258 WeakPolarHBondContact O-CB 3.48Å; E254-L258 VanDerWaalsContact O-CG 3.3Å; E254-L258 WeakPolarHBondContact O-CG 3.42Å; E254-L258 PolarHBondContact O-N 2.92Å |
| 255 | Q | 98.3 | Very high | 98.1 | Very high | 142 Ų | 142 | 103.5 Ų | 103.5 | 66% | 0.664 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.9 | -43.5 | 175.8 | -174.7 | -175.9 | 11.7 | 0 | 0 | 111.7 | F251 K253 K259 | F251-Q255 WeakPolarHBondContact O-CB 3.43Å; F251-Q255 PolarHBondContact O-N 3.01Å; K253-Q255 VanDerWaalsContact C-N 3.3Å; K253-Q255 PolarHBondContact O-N 2.88Å; Q255-K259 WeakPolarHBondContact O-CB 3.45Å; Q255-K259 PolarHBondContact O-N 3.48Å |
| 256 | Q | 98.2 | Very high | 98.1 | Very high | 102 Ų | 102 | 103.9 Ų | 103.9 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.3 | -43 | 177.7 | -176.8 | 57.7 | 37.6 | 0 | 0 | 111.5 | S252 K253 E254 K259 V260 | S252-Q256 PolarHBondContact O-N 2.9Å; S252-Q256 VanDerWaalsContact O-N 3.08Å; K253-Q256 PolarHBondContact O-N 3.02Å; K253-Q256 VanDerWaalsContact O-N 3.14Å; E254-Q256 VanDerWaalsContact C-N 3.34Å; E254-Q256 PolarHBondContact O-N 3.22Å; Q256-K259 PolarHBondContact O-N 3.35Å; Q256-V260 WeakPolarHBondContact O-CG2 3.47Å; Q256-V260 PolarHBondContact O-N 3.48Å |
| 257 | D | 98.1 | Very high | 98 | Very high | 92 Ų | 92 | 102.9 Ų | 102.9 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 177.6 | -72.1 | -21.9 | 0 | 0 | 0 | 111.3 | K253 E254 V260 A261 | K253-D257 PolarHBondContact O-N 3.15Å; E254-D257 PolarHBondContact O-N 3.4Å; D257-V260 PolarHBondContact O-N 3.42Å; D257-A261 WeakPolarHBondContact O-CB 3.46Å; D257-A261 PolarHBondContact O-N 2.95Å |
| 258 | L | 98.2 | Very high | 98 | Very high | 127 Ų | 127 | 102.5 Ų | 102.5 | 67% | 0.665 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.6 | -40.8 | 174.9 | -74.5 | 173.5 | 0 | 0 | 0 | 112.4 | E254 A261 L262 | E254-L258 WeakPolarHBondContact O-CB 3.48Å; E254-L258 VanDerWaalsContact O-CG 3.3Å; E254-L258 WeakPolarHBondContact O-CG 3.42Å; E254-L258 PolarHBondContact O-N 2.92Å; L258-A261 PolarHBondContact O-N 3.16Å; L258-L262 WeakPolarHBondContact O-CB 3.18Å; L258-L262 PolarHBondContact O-N 3.38Å |
| 259 | K | 98.1 | Very high | 98 | Very high | 113 Ų | 113 | 102.3 Ų | 102.3 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 176.3 | -175.1 | -179.4 | 176 | -175 | 0 | 111.3 | Q255 Q256 A261 L262 E263 | Q255-K259 WeakPolarHBondContact O-CB 3.45Å; Q255-K259 PolarHBondContact O-N 3.48Å; Q256-K259 PolarHBondContact O-N 3.35Å; K259-A261 VanDerWaalsContact C-N 3.35Å; K259-A261 PolarHBondContact O-N 3.14Å; K259-L262 WeakPolarHBondContact O-CB 3.45Å; K259-L262 PolarHBondContact O-N 2.94Å; K259-E263 VanDerWaalsContact CE-OE1 3.28Å; K259-E263 WeakPolarHBondContact CE-OE1 3.26Å; K259-E263 WeakPolarHBondContact O-CG 3.43Å; K259-E263 PolarHBondContact O-N 3.11Å |
| 260 | V | 98.3 | Very high | 98 | Very high | 38 Ų | 38 | 102 Ų | 102 | 23% | 0.23 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -63 | -41.9 | 176.3 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | Q256 D257 L262 E263 R264 | Q256-V260 WeakPolarHBondContact O-CG2 3.47Å; Q256-V260 PolarHBondContact O-N 3.48Å; D257-V260 PolarHBondContact O-N 3.42Å; V260-L262 VanDerWaalsContact C-N 3.34Å; V260-L262 PolarHBondContact O-N 3.49Å; V260-E263 PolarHBondContact O-N 3.48Å; V260-R264 VanDerWaalsContact CG1-CZ 3.48Å; V260-R264 WeakPolarHBondContact O-CG 3.36Å; V260-R264 PolarHBondContact O-N 3.04Å |
| 261 | A | 97.8 | Very high | 97.9 | Very high | 49 Ų | 49 | 101.6 Ų | 101.6 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | D257 L258 K259 R264 Q265 | D257-A261 WeakPolarHBondContact O-CB 3.46Å; D257-A261 PolarHBondContact O-N 2.95Å; L258-A261 PolarHBondContact O-N 3.16Å; K259-A261 VanDerWaalsContact C-N 3.35Å; K259-A261 PolarHBondContact O-N 3.14Å; A261-R264 PolarHBondContact O-N 3.46Å; A261-Q265 PolarHBondContact O-N 3.12Å |
| 262 | L | 98.1 | Very high | 97.8 | Very high | 105 Ų | 105 | 100.6 Ų | 100.6 | 55% | 0.55 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 175.8 | -180 | 63.7 | 0 | 0 | 0 | 111.7 | L258 K259 V260 R264 Q265 M266 | L258-L262 WeakPolarHBondContact O-CB 3.18Å; L258-L262 PolarHBondContact O-N 3.38Å; K259-L262 WeakPolarHBondContact O-CB 3.45Å; K259-L262 PolarHBondContact O-N 2.94Å; V260-L262 VanDerWaalsContact C-N 3.34Å; V260-L262 PolarHBondContact O-N 3.49Å; L262-R264 VanDerWaalsContact C-N 3.33Å; L262-R264 PolarHBondContact O-N 3.03Å; L262-Q265 PolarHBondContact O-N 3.04Å; L262-Q265 VanDerWaalsContact O-N 3.16Å; L262-M266 HydrophobicContact CG-CE 4.41Å; L262-M266 WeakPolarHBondContact O-CG 3.32Å; L262-M266 PolarHBondContact O-N 3.42Å |
| 263 | E | 97.9 | Very high | 97.8 | Very high | 96 Ų | 96 | 100.9 Ų | 100.9 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 176.5 | -74.2 | 170.8 | -174 | 0 | 0 | 111.9 | K259 V260 M266 A267 | K259-E263 VanDerWaalsContact CE-OE1 3.28Å; K259-E263 WeakPolarHBondContact CE-OE1 3.26Å; K259-E263 WeakPolarHBondContact O-CG 3.43Å; K259-E263 PolarHBondContact O-N 3.11Å; V260-E263 PolarHBondContact O-N 3.48Å; E263-M266 HydrophobicContact CB-CE 4.46Å; E263-M266 HydrophobicContact CG-CE 4.06Å; E263-M266 PolarHBondContact O-N 3.27Å; E263-A267 PolarHBondContact O-N 3.24Å |
| 264 | R | 98 | Very high | 97.7 | Very high | 173 Ų | 173 | 98.4 Ų | 98.4 | 65% | 0.653 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.5 | -45.3 | 173.6 | -71 | 173.2 | -174.1 | 159.1 | 3.4 | 111.7 | V260 A261 L262 M266 A267 V268 | V260-R264 VanDerWaalsContact CG1-CZ 3.48Å; V260-R264 WeakPolarHBondContact O-CG 3.36Å; V260-R264 PolarHBondContact O-N 3.04Å; A261-R264 PolarHBondContact O-N 3.46Å; L262-R264 VanDerWaalsContact C-N 3.33Å; L262-R264 PolarHBondContact O-N 3.03Å; R264-M266 PolarHBondContact O-N 3.46Å; R264-A267 PolarHBondContact O-N 3.43Å; R264-V268 WeakPolarHBondContact O-CG2 3.44Å; R264-V268 PolarHBondContact O-N 3.47Å |
| 265 | Q | 97.2 | Very high | 97.5 | Very high | 121 Ų | 121 | 98.3 Ų | 98.3 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.5 | -39.4 | 179.2 | -172.6 | 61.2 | 33.1 | 0 | 0 | 112 | A261 L262 V268 N269 | A261-Q265 PolarHBondContact O-N 3.12Å; L262-Q265 PolarHBondContact O-N 3.04Å; L262-Q265 VanDerWaalsContact O-N 3.16Å; Q265-V268 PolarHBondContact O-N 3.15Å; Q265-N269 WeakPolarHBondContact O-CB 3.22Å; Q265-N269 PolarHBondContact O-N 3.36Å |
| 266 | M | 97.6 | Very high | 97.4 | Very high | 107 Ų | 107 | 98.4 Ų | 98.4 | 53% | 0.527 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 174.6 | -72.5 | -168.7 | -63.5 | 0 | 0 | 111.5 | L262 E263 R264 N269 Q270 | L262-M266 HydrophobicContact CG-CE 4.41Å; L262-M266 WeakPolarHBondContact O-CG 3.32Å; L262-M266 PolarHBondContact O-N 3.42Å; E263-M266 HydrophobicContact CB-CE 4.46Å; E263-M266 HydrophobicContact CG-CE 4.06Å; E263-M266 PolarHBondContact O-N 3.27Å; R264-M266 PolarHBondContact O-N 3.46Å; M266-N269 PolarHBondContact O-N 3.4Å; M266-Q270 WeakPolarHBondContact O-CB 3.36Å; M266-Q270 PolarHBondContact O-N 3.42Å |
| 267 | A | 97.6 | Very high | 97.3 | Very high | 47 Ų | 47 | 100.1 Ų | 100.1 | 39% | 0.388 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | E263 R264 N269 Q270 N271 | E263-A267 PolarHBondContact O-N 3.24Å; R264-A267 PolarHBondContact O-N 3.43Å; A267-N269 VanDerWaalsContact C-N 3.35Å; A267-N269 PolarHBondContact O-N 3.32Å; A267-Q270 PolarHBondContact O-N 3.36Å; A267-N271 PolarHBondContact O-N 3.37Å; A267-N271 PolarHBondContact O-ND2 3.15Å |
| 268 | V | 97.7 | Very high | 97.1 | Very high | 72 Ų | 72 | 101.2 Ų | 101.2 | 44% | 0.436 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 175.1 | 172.1 | 0 | 0 | 0 | 0 | 111 | R264 Q265 Q270 N271 L272 | R264-V268 WeakPolarHBondContact O-CG2 3.44Å; R264-V268 PolarHBondContact O-N 3.47Å; Q265-V268 PolarHBondContact O-N 3.15Å; V268-Q270 VanDerWaalsContact C-N 3.34Å; V268-Q270 PolarHBondContact O-N 2.97Å; V268-N271 PolarHBondContact O-N 3.16Å; V268-L272 HydrophobicContact CG1-CD1 3.99Å; V268-L272 HydrophobicContact CG1-CG 4.41Å; V268-L272 WeakPolarHBondContact O-CG 3.35Å; V268-L272 PolarHBondContact O-N 3.25Å |
| 269 | N | 97.5 | Very high | 96.9 | Very high | 100 Ų | 100 | 99.8 Ų | 99.8 | 54% | 0.535 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 178.5 | -165.5 | -8.4 | 0 | 0 | 0 | 111.8 | Q265 M266 A267 N271 L272 S273 | Q265-N269 WeakPolarHBondContact O-CB 3.22Å; Q265-N269 PolarHBondContact O-N 3.36Å; M266-N269 PolarHBondContact O-N 3.4Å; A267-N269 VanDerWaalsContact C-N 3.35Å; A267-N269 PolarHBondContact O-N 3.32Å; N269-N271 PolarHBondContact O-N 3.3Å; N269-L272 PolarHBondContact O-N 3.49Å; N269-S273 WeakPolarHBondContact O-CB 3.5Å; N269-S273 PolarHBondContact O-N 3.14Å |
| 270 | Q | 97.7 | Very high | 96.6 | Very high | 125 Ų | 125 | 98.2 Ų | 98.2 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.7 | -44.7 | 175.5 | -168.6 | 176.4 | 16.1 | 0 | 0 | 111.6 | M266 A267 V268 S273 Q274 | M266-Q270 WeakPolarHBondContact O-CB 3.36Å; M266-Q270 PolarHBondContact O-N 3.42Å; A267-Q270 PolarHBondContact O-N 3.36Å; V268-Q270 VanDerWaalsContact C-N 3.34Å; V268-Q270 PolarHBondContact O-N 2.97Å; Q270-S273 WeakPolarHBondContact O-CB 3.25Å; Q270-S273 PolarHBondContact O-N 3.13Å; Q270-Q274 WeakPolarHBondContact O-CG 3.43Å; Q270-Q274 PolarHBondContact O-N 3.24Å |
| 271 | N | 97.2 | Very high | 96.4 | Very high | 97 Ų | 97 | 102.3 Ų | 102.3 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 175.6 | -70.9 | -20 | 0 | 0 | 0 | 111.8 | A267 V268 N269 S273 Q274 E275 | A267-N271 PolarHBondContact O-N 3.37Å; A267-N271 PolarHBondContact O-ND2 3.15Å; V268-N271 PolarHBondContact O-N 3.16Å; N269-N271 PolarHBondContact O-N 3.3Å; N271-S273 VanDerWaalsContact C-N 3.29Å; N271-S273 PolarHBondContact O-N 3.47Å; N271-Q274 PolarHBondContact O-N 2.98Å; N271-E275 WeakPolarHBondContact O-CB 3.42Å; N271-E275 PolarHBondContact O-N 3.36Å |
| 272 | L | 96.8 | Very high | 96 | Very high | 96 Ų | 96 | 106.6 Ų | 106.6 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63 | -35.6 | 176.4 | -71.4 | 173.3 | 0 | 0 | 0 | 112.2 | V268 N269 E275 K276 | V268-L272 HydrophobicContact CG1-CD1 3.99Å; V268-L272 HydrophobicContact CG1-CG 4.41Å; V268-L272 WeakPolarHBondContact O-CG 3.35Å; V268-L272 PolarHBondContact O-N 3.25Å; N269-L272 PolarHBondContact O-N 3.49Å; L272-E275 PolarHBondContact O-N 3.34Å; L272-K276 WeakPolarHBondContact O-CB 3.38Å; L272-K276 PolarHBondContact O-N 2.97Å |
| 273 | S | 96.4 | Very high | 95.6 | Very high | 66 Ų | 66 | 106.7 Ų | 106.7 | 46% | 0.462 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66 | -42.9 | 175.4 | -170.8 | 0 | 0 | 0 | 0 | 111.4 | N269 Q270 N271 K276 E277 | N269-S273 WeakPolarHBondContact O-CB 3.5Å; N269-S273 PolarHBondContact O-N 3.14Å; Q270-S273 WeakPolarHBondContact O-CB 3.25Å; Q270-S273 PolarHBondContact O-N 3.13Å; N271-S273 VanDerWaalsContact C-N 3.29Å; N271-S273 PolarHBondContact O-N 3.47Å; S273-K276 WeakPolarHBondContact O-CB 3.41Å; S273-K276 PolarHBondContact O-N 2.88Å; S273-E277 PolarHBondContact O-N 3.28Å |
| 274 | Q | 96.4 | Very high | 95.1 | Very high | 93 Ų | 93 | 111.4 Ų | 111.4 | 44% | 0.435 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 174.2 | -70.5 | 175.7 | 12.6 | 0 | 0 | 111.5 | Q270 N271 K276 E277 Q278 | Q270-Q274 WeakPolarHBondContact O-CG 3.43Å; Q270-Q274 PolarHBondContact O-N 3.24Å; N271-Q274 PolarHBondContact O-N 2.98Å; Q274-K276 VanDerWaalsContact C-N 3.34Å; Q274-K276 PolarHBondContact O-N 3.13Å; Q274-E277 PolarHBondContact O-N 3.18Å; Q274-Q278 VanDerWaalsContact O-CG 3.32Å; Q274-Q278 WeakPolarHBondContact O-CG 3.42Å; Q274-Q278 PolarHBondContact O-N 3.41Å |
| 275 | E | 95.3 | Very high | 94 | Very high | 104 Ų | 104 | 107.7 Ų | 107.7 | 49% | 0.486 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 176.1 | -173.7 | 179.3 | -177.5 | 0 | 0 | 111.1 | N271 L272 E277 Q278 L279 | N271-E275 WeakPolarHBondContact O-CB 3.42Å; N271-E275 PolarHBondContact O-N 3.36Å; L272-E275 PolarHBondContact O-N 3.34Å; E275-E277 VanDerWaalsContact C-N 3.34Å; E275-E277 PolarHBondContact O-N 3.44Å; E275-Q278 PolarHBondContact O-N 3.39Å; E275-L279 HydrophobicContact CG-CD1 4.2Å; E275-L279 HydrophobicContact CG-CG 4.5Å; E275-L279 WeakPolarHBondContact O-CB 3.38Å; E275-L279 VanDerWaalsContact O-CG 3.3Å; E275-L279 WeakPolarHBondContact O-CG 3.28Å; E275-L279 PolarHBondContact O-N 3.04Å |
| 276 | K | 96 | Very high | 92.4 | Very high | 144 Ų | 144 | 110.3 Ų | 110.3 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -56.7 | -46.6 | 173.5 | 177.3 | -173.4 | 173.7 | -176.2 | 0 | 111.4 | L272 S273 Q274 L279 M280 | L272-K276 WeakPolarHBondContact O-CB 3.38Å; L272-K276 PolarHBondContact O-N 2.97Å; S273-K276 WeakPolarHBondContact O-CB 3.41Å; S273-K276 PolarHBondContact O-N 2.88Å; Q274-K276 VanDerWaalsContact C-N 3.34Å; Q274-K276 PolarHBondContact O-N 3.13Å; K276-L279 PolarHBondContact O-N 3.45Å; K276-M280 HydrophobicContact CG-CG 4.5Å; K276-M280 WeakPolarHBondContact O-CB 3.41Å; K276-M280 VanDerWaalsContact O-CG 3.26Å; K276-M280 WeakPolarHBondContact O-CG 3.36Å; K276-M280 PolarHBondContact O-N 3.12Å |
| 277 | E | 95.3 | Very high | 90.4 | Very high | 138 Ų | 138 | 112.5 Ų | 112.5 | 65% | 0.645 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.2 | -44.2 | 178.3 | -173.5 | 175.8 | -173.7 | 0 | 0 | 111.7 | S273 Q274 E275 L279 M280 F281 | S273-E277 PolarHBondContact O-N 3.28Å; Q274-E277 PolarHBondContact O-N 3.18Å; E275-E277 VanDerWaalsContact C-N 3.34Å; E275-E277 PolarHBondContact O-N 3.44Å; E277-L279 VanDerWaalsContact C-N 3.35Å; E277-L279 PolarHBondContact O-N 3.19Å; E277-M280 PolarHBondContact O-N 3.23Å; E277-F281 WeakPolarHBondContact O-CB 2.92Å; E277-F281 PolarHBondContact O-N 3.38Å |
| 278 | Q | 93.8 | Very high | 88.4 | Confident | 115 Ų | 115 | 115 Ų | 115 | 54% | 0.537 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.1 | -43.1 | 175 | -70.6 | 176 | 19 | 0 | 0 | 112.1 | Q274 E275 F281 K282 | Q274-Q278 VanDerWaalsContact O-CG 3.32Å; Q274-Q278 WeakPolarHBondContact O-CG 3.42Å; Q274-Q278 PolarHBondContact O-N 3.41Å; E275-Q278 PolarHBondContact O-N 3.39Å; Q278-F281 PolarHBondContact O-N 3.13Å; Q278-K282 WeakPolarHBondContact O-CG 3.42Å; Q278-K282 PolarHBondContact O-N 3.17Å |
| 279 | L | 93.9 | Very high | 85.9 | Confident | 96 Ų | 96 | 116.7 Ų | 116.7 | 50% | 0.503 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.2 | -42.4 | 176 | -71.7 | 173.6 | 0 | 0 | 0 | 111.6 | E275 K276 E277 F281 K282 L283 | E275-L279 HydrophobicContact CG-CD1 4.2Å; E275-L279 HydrophobicContact CG-CG 4.5Å; E275-L279 WeakPolarHBondContact O-CB 3.38Å; E275-L279 VanDerWaalsContact O-CG 3.3Å; E275-L279 WeakPolarHBondContact O-CG 3.28Å; E275-L279 PolarHBondContact O-N 3.04Å; K276-L279 PolarHBondContact O-N 3.45Å; E277-L279 VanDerWaalsContact C-N 3.35Å; E277-L279 PolarHBondContact O-N 3.19Å; L279-F281 VanDerWaalsContact C-N 3.33Å; L279-F281 PolarHBondContact O-N 3.37Å; L279-K282 PolarHBondContact O-N 3.2Å; L279-L283 WeakPolarHBondContact O-CB 3.45Å; L279-L283 PolarHBondContact O-N 3.48Å |
| 280 | M | 93.3 | Very high | 83.7 | Confident | 80 Ų | 80 | 117.9 Ų | 117.9 | 39% | 0.394 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.5 | -40.2 | 174.7 | -75.6 | -63.3 | -63.6 | 0 | 0 | 112 | K276 E277 L283 R284 | K276-M280 HydrophobicContact CG-CG 4.5Å; K276-M280 WeakPolarHBondContact O-CB 3.41Å; K276-M280 VanDerWaalsContact O-CG 3.26Å; K276-M280 WeakPolarHBondContact O-CG 3.36Å; K276-M280 PolarHBondContact O-N 3.12Å; E277-M280 PolarHBondContact O-N 3.23Å; M280-L283 PolarHBondContact O-N 3.45Å; M280-R284 WeakPolarHBondContact O-CG 3.4Å; M280-R284 PolarHBondContact O-N 2.71Å |
| 281 | F | 92.8 | Very high | 81.8 | Confident | 125 Ų | 125 | 115.7 Ų | 115.7 | 55% | 0.548 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60.6 | -50.5 | 173.7 | -178.7 | -90.9 | 0 | 0 | 0 | 110.5 | E277 Q278 L279 L283 R284 H285 | E277-F281 WeakPolarHBondContact O-CB 2.92Å; E277-F281 PolarHBondContact O-N 3.38Å; Q278-F281 PolarHBondContact O-N 3.13Å; L279-F281 VanDerWaalsContact C-N 3.33Å; L279-F281 PolarHBondContact O-N 3.37Å; F281-L283 VanDerWaalsContact C-N 3.3Å; F281-L283 PolarHBondContact O-N 2.97Å; F281-R284 PolarHBondContact O-N 3.47Å; F281-H285 AromaticContact CD1-ND1 3.97Å; F281-H285 AromaticContact CD2-CE1 3.32Å; F281-H285 WeakPolarHBondContact CD2-CE1 3.49Å; F281-H285 AromaticContact CD2-ND1 3.56Å; F281-H285 AromaticContact CE1-ND1 3.95Å; F281-H285 AromaticContact CE2-CE1 3.12Å; F281-H285 WeakPolarHBondContact CE2-CE1 3.45Å; F281-H285 AromaticContact CE2-ND1 3.54Å; F281-H285 AromaticContact CE2-NE2 3.59Å; F281-H285 AromaticContact CG-ND1 3.77Å; F281-H285 AromaticContact CZ-CE1 3.68Å; F281-H285 AromaticContact CZ-ND1 3.73Å; F281-H285 AromaticContact CZ-NE2 3.91Å; F281-H285 PolarHBondContact O-N 3.19Å; F281-H285 PolarHBondContact O-ND1 3.41Å |
| 282 | K | 90.4 | Very high | 79.3 | Confident | 138 Ų | 138 | 118.9 Ų | 118.9 | 60% | 0.6 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -57.4 | -40.9 | 176 | -72.7 | 174 | -178.7 | 174.8 | 0 | 112.5 | Q278 L279 H285 R286 | Q278-K282 WeakPolarHBondContact O-CG 3.42Å; Q278-K282 PolarHBondContact O-N 3.17Å; L279-K282 PolarHBondContact O-N 3.2Å; K282-H285 PolarHBondContact O-N 3.45Å; K282-R286 PolarHBondContact O-N 3.31Å |
| 283 | L | 89.9 | Confident | 76.6 | Confident | 108 Ų | 108 | 121.7 Ų | 121.7 | 57% | 0.565 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.3 | -43 | 178.4 | -175.9 | 66 | 0 | 0 | 0 | 112.2 | L279 M280 F281 R286 | L279-L283 WeakPolarHBondContact O-CB 3.45Å; L279-L283 PolarHBondContact O-N 3.48Å; M280-L283 PolarHBondContact O-N 3.45Å; F281-L283 VanDerWaalsContact C-N 3.3Å; F281-L283 PolarHBondContact O-N 2.97Å; L283-R286 WeakPolarHBondContact O-CB 3.43Å |
| 284 | R | 85.9 | Confident | 74.4 | Confident | 194 Ų | 194 | 126 Ų | 126 | 73% | 0.732 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.4 | -29.1 | 179.8 | -71.7 | -171.7 | -173.3 | -158.3 | 4.1 | 113.6 | M280 F281 | M280-R284 WeakPolarHBondContact O-CG 3.4Å; M280-R284 PolarHBondContact O-N 2.71Å; F281-R284 PolarHBondContact O-N 3.47Å |
| 285 | H | 75.9 | Confident | 71.9 | Confident | 95 Ų | 95 | 125.6 Ų | 125.6 | 44% | 0.44 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.8 | 15.6 | -178.2 | -58.4 | 80.6 | 0 | 0 | 0 | 112.6 | F281 K282 D287 S288 | F281-H285 AromaticContact CD1-ND1 3.97Å; F281-H285 AromaticContact CD2-CE1 3.32Å; F281-H285 WeakPolarHBondContact CD2-CE1 3.49Å; F281-H285 AromaticContact CD2-ND1 3.56Å; F281-H285 AromaticContact CE1-ND1 3.95Å; F281-H285 AromaticContact CE2-CE1 3.12Å; F281-H285 WeakPolarHBondContact CE2-CE1 3.45Å; F281-H285 AromaticContact CE2-ND1 3.54Å; F281-H285 AromaticContact CE2-NE2 3.59Å; F281-H285 AromaticContact CG-ND1 3.77Å; F281-H285 AromaticContact CZ-CE1 3.68Å; F281-H285 AromaticContact CZ-ND1 3.73Å; F281-H285 AromaticContact CZ-NE2 3.91Å; F281-H285 PolarHBondContact O-N 3.19Å; F281-H285 PolarHBondContact O-ND1 3.41Å; K282-H285 PolarHBondContact O-N 3.45Å; H285-D287 PolarHBondContact O-N 2.97Å; H285-D287 VanDerWaalsContact O-N 3.12Å; H285-S288 PolarHBondContact O-N 3.25Å |
| 286 | R | 62.9 | Low | 69.4 | Low | 177 Ų | 177 | 126 Ų | 126 | 67% | 0.668 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -22.9 | 179.2 | -168 | -179.5 | -175.6 | -163.3 | 0.8 | 113.1 | K282 L283 | K282-R286 PolarHBondContact O-N 3.31Å; L283-R286 WeakPolarHBondContact O-CB 3.43Å |
| 287 | D | 55.8 | Low | 67.1 | Low | 152 Ų | 152 | 128.3 Ų | 128.3 | 81% | 0.813 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 11.9 | -177.8 | -58 | -30.6 | 0 | 0 | 0 | 113.9 | H285 | H285-D287 PolarHBondContact O-N 2.97Å; H285-D287 VanDerWaalsContact O-N 3.12Å |
| 288 | S | 55.9 | Low | 64.5 | Low | 100 Ų | 100 | 129 Ų | 129 | 70% | 0.699 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -128.5 | 22.3 | -177.4 | -59.5 | 0 | 0 | 0 | 0 | 116.1 | H285 | H285-S288 PolarHBondContact O-N 3.25Š|
| 289 | C | 46 | Very low | 62.2 | Low | 108 Ų | 108 | 130.3 Ų | 130.3 | 73% | 0.73 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -134.3 | 143.9 | 160.8 | -84.8 | 0 | 0 | 0 | 0 | 111 | ||
| 290 | P | 50 | Low | 60 | Low | 125 Ų | 125 | 133 Ų | 133 | 81% | 0.812 | 69% | 0.693 | S | S | * | * | trans | -67.5 | 147.9 | 179.9 | 8.9 | 4.5 | 0 | 0 | 0 | 110.2 | ||||
| 291 | G | 57.5 | Low | 57.5 | Low | 79 Ų | 79 | 137.6 Ų | 137.6 | 81% | 0.814 | 72% | 0.717 | S | S | * | * | trans | -53.5 | 136.6 | -160.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 292 | I | 44.5 | Very low | 55.2 | Low | 164 Ų | 164 | 134.9 Ų | 134.9 | 84% | 0.841 | 72% | 0.717 | S | S | * | * | trans | -110.5 | 103 | 144.9 | -60.9 | 177.2 | 0 | 0 | 0 | 106.2 | ||||
| 293 | H | 40.2 | Very low | 54 | Low | 154 Ų | 154 | 134.1 Ų | 134.1 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | trans | 19.6 | 113.8 | 136 | -141.5 | -95.3 | 0 | 0 | 0 | 115 | P295 | H293-P295 WeakPolarHBondContact ND1-CD 3.33Å; H293-P295 WeakPolarHBondContact O-CD 3.41Å | ||
| 294 | L | 51.4 | Low | 51.8 | Low | 157 Ų | 157 | 144.3 Ų | 144.3 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | -84.6 | 100.1 | 151.5 | -90.1 | 131.2 | 0 | 0 | 0 | 107.5 | ||||
| 295 | P | 43.4 | Very low | 50.1 | Low | 85 Ų | 85 | 141.8 Ų | 141.8 | 55% | 0.552 | 76% | 0.759 | S | S | * | * | trans | -88.9 | 159.6 | 154.4 | 34.4 | -28.6 | 0 | 0 | 0 | 110.2 | H293 | H293-P295 WeakPolarHBondContact ND1-CD 3.33Å; H293-P295 WeakPolarHBondContact O-CD 3.41Å | ||
| 296 | P | 41.9 | Very low | 48.7 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | -85.5 | 155.9 | -127.1 | 31.6 | -35.7 | 0 | 0 | 0 | 113.9 | M298 | P296-M298 PolarHBondContact O-N 3.41Å; P296-M298 VanDerWaalsContact O-N 3.08Å | |||
| 297 | M | 49.3 | Very low | 47.9 | Very low | 192 Ų | 192 | 142.4 Ų | 142.4 | 95% | 0.946 | 78% | 0.782 | S | S | * | * | trans | -40.8 | 116.6 | 152.4 | -73.8 | -179.7 | 109.3 | 0 | 0 | 108.9 | ||||
| 298 | M | 40.4 | Very low | 47.4 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | -146.8 | 104.6 | 149.8 | -74.5 | -134.8 | 126.1 | 0 | 0 | 107.1 | P296 | P296-M298 PolarHBondContact O-N 3.41Å; P296-M298 VanDerWaalsContact O-N 3.08Å | ||
| 299 | Q | 44.2 | Very low | 46.9 | Very low | 143 Ų | 143 | 144.5 Ų | 144.5 | 67% | 0.668 | 79% | 0.785 | S | S | * | * | 86.5 | 104.4 | 87.8 | -131.2 | 173.4 | -8.3 | 0 | 0 | 111 | |||||
| 300 | E | 49.2 | Very low | 47 | Very low | 154 Ų | 154 | 146.9 Ų | 146.9 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | 46.9 | 109 | 126.2 | -161.6 | 174.4 | -158.4 | 0 | 0 | 117.6 | |||||
| 301 | I | 40.3 | Very low | 46.8 | Very low | 176 Ų | 176 | 148.5 Ų | 148.5 | 90% | 0.903 | 79% | 0.787 | S | S | * | * | trans | -133.8 | 99.7 | 133.8 | -58.6 | 179.4 | 0 | 0 | 0 | 107 | ||||
| 302 | A | 43.7 | Very low | 45.9 | Very low | 67 Ų | 67 | 153.8 Ų | 153.8 | 55% | 0.554 | 79% | 0.785 | S | S | * | * | trans | -76.9 | -173.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 303 | P | 65.9 | Low | 46.1 | Very low | 122 Ų | 122 | 153 Ų | 153 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | -99.3 | 174.4 | -109.7 | 35.7 | -19.2 | 0 | 0 | 0 | 114.2 | |||||
| 304 | R | 42.9 | Very low | 46.6 | Very low | 322 Ų | 322 | 152.9 Ų | 152.9 | 100% | 1.215 | 79% | 0.786 | S | S | * | * | trans | -154.7 | 0 | 142.1 | -105.5 | -171.2 | -170.5 | -179.6 | 3.3 | 110.8 |
Retrieved 304 of 304 residues in 180.5 ms
(Link to these results)