| 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 | 35.8 | Very low | 39.2 | Very low | 210 Ų | 210 | 71.2 Ų | 71.2 | 100% | 1.034 | 39% | 0.387 | S | S | * | . | 0 | -6.4 | 0 | -89.2 | -69.1 | -174.8 | 0 | 0 | 114.4 | |||||
| 2 | D | 43.1 | Very low | 39.1 | Very low | 74 Ų | 74 | 68.8 Ų | 68.8 | 40% | 0.396 | 38% | 0.377 | S | S | . | . | trans | -135.5 | 34 | -168.8 | -64.8 | -64 | 0 | 0 | 0 | 117.7 | F5 L6 | D2-F5 HydrophobicContact CB-CB 4.35Å; D2-L6 WeakPolarHBondContact O-CB 3.33Å; D2-L6 WeakPolarHBondContact O-CD1 3.45Å; D2-L6 VanDerWaalsContact O-CG 3.24Å; D2-L6 WeakPolarHBondContact O-CG 3.42Å; D2-L6 PolarHBondContact O-N 3.31Å | ||
| 3 | A | 31.3 | Very low | 38.7 | Very low | 64 Ų | 64 | 71.3 Ų | 71.3 | 53% | 0.529 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -71.5 | -35.8 | 168 | 0 | 0 | 0 | 0 | 0 | 112.1 | L7 | A3-L7 WeakPolarHBondContact O-CB 3.39Å; A3-L7 WeakPolarHBondContact O-CD1 3.4Å; A3-L7 WeakPolarHBondContact O-CG 3.43Å; A3-L7 PolarHBondContact O-N 3.37Å |
| 4 | L | 42.2 | Very low | 38.6 | Very low | 62 Ų | 62 | 77.8 Ų | 77.8 | 33% | 0.325 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -77.4 | -29.2 | -178.2 | -72.7 | 161.7 | 0 | 0 | 0 | 113.2 | F8 T185 Y188 K189 | L4-F8 PolarHBondContact O-N 3.49Å; L4-F8 VanDerWaalsContact O-N 3.11Å; L4-T185 HydrophobicContact CD1-CG2 4Å; L4-T185 HydrophobicContact CD2-CG2 4.49Å; L4-Y188 HydrophobicContact CB-CE1 4.39Å; L4-Y188 HydrophobicContact CD2-CD1 3.06Å; L4-Y188 HydrophobicContact CD2-CE1 3.39Å; L4-Y188 HydrophobicContact CD2-CG 3.97Å; L4-Y188 HydrophobicContact CG-CD1 4.47Å; L4-K189 HydrophobicContact CD2-CG 4.14Å |
| 5 | F | 41.3 | Very low | 38.3 | Very low | 60 Ų | 60 | 80.3 Ų | 80.3 | 26% | 0.263 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -76.7 | -40.4 | 175.9 | -170.2 | -106 | 0 | 0 | 0 | 111.2 | D2 F8 L9 Q321 | D2-F5 HydrophobicContact CB-CB 4.35Å; F5-F8 WeakPolarHBondContact O-CB 3.24Å; F5-F8 PolarHBondContact O-N 3.38Å; F5-L9 HydrophobicContact CD1-CD1 4.17Å; F5-L9 HydrophobicContact CE1-CD1 4.12Å; F5-L9 WeakPolarHBondContact O-CG 3.47Å; F5-L9 PolarHBondContact O-N 3.02Å; F5-Q321 HydrophobicContact CZ-CG 4.41Å |
| 6 | L | 40.1 | Very low | 38.3 | Very low | 110 Ų | 110 | 79.9 Ų | 79.9 | 58% | 0.576 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -68.4 | -32.5 | 171.7 | -67.6 | 172.2 | 0 | 0 | 0 | 112.8 | D2 L9 S10 | D2-L6 WeakPolarHBondContact O-CB 3.33Å; D2-L6 WeakPolarHBondContact O-CD1 3.45Å; D2-L6 VanDerWaalsContact O-CG 3.24Å; D2-L6 WeakPolarHBondContact O-CG 3.42Å; D2-L6 PolarHBondContact O-N 3.31Å; L6-L9 HydrophobicContact CD2-CD1 4.1Å; L6-L9 WeakPolarHBondContact O-CB 3.42Å; L6-L9 PolarHBondContact O-N 3.43Å; L6-S10 PolarHBondContact O-N 3.38Å |
| 7 | L | 41.8 | Very low | 37.8 | Very low | 50 Ų | 50 | 80.3 Ų | 80.3 | 26% | 0.262 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -71.1 | -31.9 | 172.8 | -75.6 | 169.6 | 0 | 0 | 0 | 113.1 | A3 L9 S10 S11 K189 | A3-L7 WeakPolarHBondContact O-CB 3.39Å; A3-L7 WeakPolarHBondContact O-CD1 3.4Å; A3-L7 WeakPolarHBondContact O-CG 3.43Å; A3-L7 PolarHBondContact O-N 3.37Å; L7-L9 VanDerWaalsContact C-N 3.27Å; L7-L9 PolarHBondContact O-N 3.23Å; L7-S10 PolarHBondContact O-N 3.17Å; L7-S11 PolarHBondContact O-N 3.19Å; L7-K189 HydrophobicContact CD1-CB 4.33Å; L7-K189 HydrophobicContact CD1-CG 4.15Å |
| 8 | F | 40.1 | Very low | 37.7 | Very low | 39 Ų | 39 | 82.6 Ų | 82.6 | 17% | 0.171 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 168.6 | -175.5 | -89.3 | 0 | 0 | 0 | 110.7 | L4 F5 T12 L261 Q262 | L4-F8 PolarHBondContact O-N 3.49Å; L4-F8 VanDerWaalsContact O-N 3.11Å; F5-F8 WeakPolarHBondContact O-CB 3.24Å; F5-F8 PolarHBondContact O-N 3.38Å; F8-T12 PolarHBondContact O-N 2.86Å; F8-T12 PolarHBondContact O-OG1 2.88Å; F8-T12 VanDerWaalsContact O-OG1 3.09Å; F8-L261 HydrophobicContact CE2-CB 4.15Å; F8-Q262 HydrophobicContact CD2-CG 4.1Å; F8-Q262 HydrophobicContact CE2-CG 4.18Å; F8-Q262 PolarHBondContact O-NE2 3.48Å |
| 9 | L | 41.3 | Very low | 37.6 | Very low | 55 Ų | 55 | 87.1 Ų | 87.1 | 29% | 0.288 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -72 | -31 | 176.6 | -66.2 | 164 | 0 | 0 | 0 | 113.5 | F5 L6 L7 T12 N13 | F5-L9 HydrophobicContact CD1-CD1 4.17Å; F5-L9 HydrophobicContact CE1-CD1 4.12Å; F5-L9 WeakPolarHBondContact O-CG 3.47Å; F5-L9 PolarHBondContact O-N 3.02Å; L6-L9 HydrophobicContact CD2-CD1 4.1Å; L6-L9 WeakPolarHBondContact O-CB 3.42Å; L6-L9 PolarHBondContact O-N 3.43Å; L7-L9 VanDerWaalsContact C-N 3.27Å; L7-L9 PolarHBondContact O-N 3.23Å; L9-T12 PolarHBondContact O-OG1 3.22Å; L9-N13 PolarHBondContact O-N 3.29Å |
| 10 | S | 35.8 | Very low | 37.4 | Very low | 47 Ų | 47 | 89.7 Ų | 89.7 | 33% | 0.329 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -80.3 | -29.7 | 178.1 | -172.1 | 0 | 0 | 0 | 0 | 113.7 | L6 L7 R14 | L6-S10 PolarHBondContact O-N 3.38Å; L7-S10 PolarHBondContact O-N 3.17Å; S10-R14 PolarHBondContact O-N 2.95Å |
| 11 | S | 38.2 | Very low | 37.4 | Very low | 12 Ų | 12 | 91.1 Ų | 91.1 | 8% | 0.084 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -80.3 | -35.2 | 177.8 | -83.8 | 0 | 0 | 0 | 0 | 113.3 | L7 N13 R14 F15 K191 Y193 | L7-S11 PolarHBondContact O-N 3.19Å; S11-N13 VanDerWaalsContact C-N 3.29Å; S11-N13 PolarHBondContact O-N 3.36Å; S11-R14 PolarHBondContact O-N 2.87Å; S11-F15 PolarHBondContact O-N 3.32Å; S11-K191 WeakPolarHBondContact OG-CD 3.45Å; S11-K191 WeakPolarHBondContact OG-CE 3.33Å; S11-K191 PolarHBondContact OG-NZ 3.07Å; S11-Y193 WeakPolarHBondContact CB-OH 3.09Å; S11-Y193 PolarHBondContact OG-OH 3.1Å |
| 12 | T | 38.3 | Very low | 37.5 | Very low | 43 Ų | 43 | 92.7 Ų | 92.7 | 26% | 0.264 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.2 | -34 | 171.1 | 48.5 | 0 | 0 | 0 | 0 | 111.8 | F8 L9 R14 | F8-T12 PolarHBondContact O-N 2.86Å; F8-T12 PolarHBondContact O-OG1 2.88Å; F8-T12 VanDerWaalsContact O-OG1 3.09Å; L9-T12 PolarHBondContact O-OG1 3.22Å; T12-R14 VanDerWaalsContact C-N 3.29Å; T12-R14 PolarHBondContact O-N 3.46Å |
| 13 | N | 34.3 | Very low | 37 | Very low | 101 Ų | 101 | 93 Ų | 93 | 54% | 0.54 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.1 | -26 | 174.7 | -105.6 | -10.9 | 0 | 0 | 0 | 114.1 | L9 S11 | L9-N13 PolarHBondContact O-N 3.29Å; S11-N13 VanDerWaalsContact C-N 3.29Å; S11-N13 PolarHBondContact O-N 3.36Å |
| 14 | R | 36.9 | Very low | 37.3 | Very low | 162 Ų | 162 | 95 Ų | 95 | 61% | 0.611 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -92.9 | -18.5 | -176.1 | -140 | 179.6 | -76.2 | -142 | -0.4 | 113.5 | S10 S11 T12 | S10-R14 PolarHBondContact O-N 2.95Å; S11-R14 PolarHBondContact O-N 2.87Å; T12-R14 VanDerWaalsContact C-N 3.29Å; T12-R14 PolarHBondContact O-N 3.46Å |
| 15 | F | 34.8 | Very low | 37.2 | Very low | 116 Ų | 116 | 95.3 Ų | 95.3 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -78 | -29.4 | -179.5 | -135.9 | -97.1 | 0 | 0 | 0 | 112.8 | S11 E264 | S11-F15 PolarHBondContact O-N 3.32Å; F15-E264 HydrophobicContact CE1-CG 4.46Å; F15-E264 HydrophobicContact CZ-CB 4.36Å; F15-E264 HydrophobicContact CZ-CG 4.35Å |
| 16 | V | 38.2 | Very low | 36.7 | Very low | 74 Ų | 74 | 103.5 Ų | 103.5 | 45% | 0.448 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76 | -21.8 | 177.8 | -178.7 | 0 | 0 | 0 | 0 | 112.9 | I341 | V16-I341 HydrophobicContact CG2-CG2 3.85Š|
| 17 | S | 29.5 | Very low | 36.7 | Very low | 86 Ų | 86 | 107.8 Ų | 107.8 | 60% | 0.601 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -17.6 | 176.8 | -83 | 0 | 0 | 0 | 0 | 114.5 | ||
| 18 | I | 35.1 | Very low | 36.4 | Very low | 122 Ų | 122 | 116.9 Ų | 116.9 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -25.8 | -178 | -61.5 | 178.5 | 0 | 0 | 0 | 111.9 | N20 | I18-N20 VanDerWaalsContact C-N 3.29Å; I18-N20 PolarHBondContact O-N 3.5Å |
| 19 | E | 35.9 | Very low | 36.2 | Very low | 167 Ų | 167 | 118.9 Ų | 118.9 | 78% | 0.78 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -10.7 | 173.7 | -82.1 | -172 | 142.4 | 0 | 0 | 114.1 | ||
| 20 | N | 34.6 | Very low | 35.6 | Very low | 140 Ų | 140 | 121.3 Ų | 121.3 | 75% | 0.749 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 12.1 | -176.5 | -152.8 | 19.7 | 0 | 0 | 0 | 115.3 | I18 | I18-N20 VanDerWaalsContact C-N 3.29Å; I18-N20 PolarHBondContact O-N 3.5Å |
| 21 | T | 37.3 | Very low | 35.6 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 73% | 0.73 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -127.1 | 16.1 | 177.2 | 47.1 | 0 | 0 | 0 | 0 | 115.2 | ||
| 22 | R | 38.4 | Very low | 35.4 | Very low | 243 Ų | 243 | 138 Ų | 138 | 92% | 0.917 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -132.3 | 32.1 | 174 | -77.5 | -173.6 | 155.2 | 149.5 | -4.3 | 115 | ||
| 23 | G | 31.8 | Very low | 35.1 | Very low | 82 Ų | 82 | 140.7 Ų | 140.7 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | -103.5 | 19.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 24 | A | 37.5 | Very low | 35 | Very low | 106 Ų | 106 | 145 Ų | 145 | 88% | 0.876 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -122.4 | 98.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 25 | G | 39.7 | Very low | 34.7 | Very low | 67 Ų | 67 | 148.9 Ų | 148.9 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | 115.8 | 79.9 | 163 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 26 | Y | 30.2 | Very low | 34.6 | Very low | 233 Ų | 233 | 154.4 Ų | 154.4 | 91% | 0.914 | 81% | 0.807 | S | S | * | * | trans | -154 | 71 | 148.4 | -111 | -82.4 | 0 | 0 | 0 | 110 | ||||
| 27 | K | 42.1 | Very low | 34.1 | Very low | 199 Ų | 199 | 160.5 Ų | 160.5 | 87% | 0.865 | 83% | 0.828 | S | S | * | * | trans | -100.1 | 98.5 | 154.1 | -80.4 | -172.6 | -179.8 | -179.3 | 0 | 107.2 | ||||
| 28 | R | 35 | Very low | 34.2 | Very low | 241 Ų | 241 | 160.5 Ų | 160.5 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | trans | 167 | 127.9 | 151.1 | -96.5 | 170.5 | -137 | -164.3 | 4.4 | 109.4 | ||||
| 29 | G | 35.6 | Very low | 34.1 | Very low | 81 Ų | 81 | 164.6 Ų | 164.6 | 84% | 0.835 | 85% | 0.849 | S | S | * | * | trans | 116.6 | 60 | 158 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 30 | A | 28.5 | Very low | 33.8 | Very low | 106 Ų | 106 | 160.2 Ų | 160.2 | 88% | 0.876 | 85% | 0.849 | S | S | * | * | trans | -151.8 | 57.9 | 153.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 31 | R | 35.8 | Very low | 33.8 | Very low | 236 Ų | 236 | 162.6 Ų | 162.6 | 89% | 0.891 | 86% | 0.856 | S | S | * | * | trans | -97.2 | 122.6 | 149.8 | -93.1 | -169.5 | -84.7 | -171.8 | -5.7 | 105.3 | ||||
| 32 | I | 34.1 | Very low | 33.7 | Very low | 175 Ų | 175 | 163.9 Ų | 163.9 | 90% | 0.897 | 86% | 0.858 | S | S | * | * | trans | 146.4 | 93.4 | 156.9 | -72.9 | 152.7 | 0 | 0 | 0 | 107.1 | ||||
| 33 | A | 31.2 | Very low | 33.6 | Very low | 98 Ų | 98 | 158.6 Ų | 158.6 | 81% | 0.81 | 85% | 0.853 | S | S | * | * | trans | 163.4 | 56.6 | 143.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 34 | Q | 32.3 | Very low | 33.5 | Very low | 193 Ų | 193 | 158.1 Ų | 158.1 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | trans | -145 | 94.3 | 160.4 | -88.3 | -174.4 | -16.3 | 0 | 0 | 108 | ||||
| 35 | R | 32 | Very low | 33.7 | Very low | 242 Ų | 242 | 158 Ų | 158 | 91% | 0.913 | 84% | 0.839 | S | S | * | * | trans | -152.7 | 136.6 | 158.8 | -78.8 | -161.3 | 177.9 | -165.5 | -3.2 | 109.8 | ||||
| 36 | R | 31 | Very low | 33.5 | Very low | 232 Ų | 232 | 160.9 Ų | 160.9 | 88% | 0.875 | 84% | 0.844 | S | S | * | * | trans | 84.1 | 115.5 | 178 | -57.6 | -179.2 | 173.7 | 174.2 | -2.6 | 112.7 | ||||
| 37 | F | 29.6 | Very low | 33.7 | Very low | 202 Ų | 202 | 158.2 Ų | 158.2 | 89% | 0.886 | 84% | 0.844 | S | S | * | * | cis | -137.1 | 132.4 | 26.8 | -98.2 | -101.8 | 0 | 0 | 0 | 111 | ||||
| 38 | A | 30.4 | Very low | 33.5 | Very low | 86 Ų | 86 | 153.6 Ų | 153.6 | 71% | 0.711 | 84% | 0.844 | S | S | * | * | trans | -111.7 | 130.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 39 | H | 32.6 | Very low | 33.9 | Very low | 208 Ų | 208 | 153.6 Ų | 153.6 | 96% | 0.963 | 84% | 0.844 | S | S | * | * | trans | -172.1 | 124.6 | 140.2 | -108.6 | -71 | 0 | 0 | 0 | 108.9 | ||||
| 40 | G | 29.3 | Very low | 33.8 | Very low | 75 Ų | 75 | 161.8 Ų | 161.8 | 77% | 0.773 | 85% | 0.849 | S | S | * | * | trans | 132 | 63 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 41 | E | 36.6 | Very low | 34.2 | Very low | 190 Ų | 190 | 166.9 Ų | 166.9 | 89% | 0.888 | 85% | 0.852 | S | S | * | * | trans | -57 | 142.1 | 144.1 | -63.9 | 172.3 | 149.3 | 0 | 0 | 106.7 | ||||
| 42 | D | 33.4 | Very low | 34.1 | Very low | 147 Ų | 147 | 160.1 Ų | 160.1 | 79% | 0.786 | 85% | 0.847 | S | S | * | * | -179.7 | 180 | 69.5 | -152 | -21.2 | 0 | 0 | 0 | 108.4 | |||||
| 43 | V | 36.8 | Very low | 34.1 | Very low | 132 Ų | 132 | 163 Ų | 163 | 80% | 0.8 | 85% | 0.846 | S | S | * | * | trans | 96.2 | 62.2 | 175.7 | -152.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 44 | A | 30.3 | Very low | 34.3 | Very low | 71 Ų | 71 | 166 Ų | 166 | 59% | 0.587 | 85% | 0.847 | S | S | * | * | 29.6 | 120.1 | 117.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | T46 | A44-T46 PolarHBondContact O-N 3.27Š| |||
| 45 | A | 40.5 | Very low | 34.3 | Very low | 103 Ų | 103 | 165.3 Ų | 165.3 | 85% | 0.851 | 84% | 0.844 | S | S | * | * | 58.3 | 56.4 | 115.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 46 | T | 36.5 | Very low | 34.8 | Very low | 128 Ų | 128 | 158.9 Ų | 158.9 | 79% | 0.785 | 83% | 0.834 | S | S | * | * | trans | -146.2 | 57.8 | 162.4 | -41.3 | 0 | 0 | 0 | 0 | 113.5 | A44 | A44-T46 PolarHBondContact O-N 3.27Š| ||
| 47 | L | 33.9 | Very low | 34.8 | Very low | 177 Ų | 177 | 155.9 Ų | 155.9 | 93% | 0.927 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -157.9 | 27.7 | 158.7 | -141.1 | 71.3 | 0 | 0 | 0 | 114.9 | ||
| 48 | A | 38 | Very low | 35.1 | Very low | 103 Ų | 103 | 157.4 Ų | 157.4 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -106.9 | 23.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 49 | R | 42.8 | Very low | 35 | Very low | 241 Ų | 241 | 159.7 Ų | 159.7 | 91% | 0.909 | 84% | 0.842 | S | S | * | * | trans | -137 | 78.9 | 172 | -67.2 | -172.4 | -163 | -128.8 | 3.4 | 111.1 | ||||
| 50 | R | 33.7 | Very low | 34.9 | Very low | 253 Ų | 253 | 153.1 Ų | 153.1 | 96% | 0.955 | 83% | 0.831 | S | S | * | * | trans | -159.3 | 67.6 | 151.9 | -108 | 175.8 | -170 | -169.1 | 3.7 | 109.3 | ||||
| 51 | K | 37.5 | Very low | 35 | Very low | 212 Ų | 212 | 159.2 Ų | 159.2 | 92% | 0.922 | 84% | 0.839 | S | S | * | * | trans | -81.7 | 142.5 | 151.5 | -149.1 | 176.2 | -173.4 | -179.9 | 0 | 106.4 | ||||
| 52 | A | 34.7 | Very low | 34.8 | Very low | 95 Ų | 95 | 159.2 Ų | 159.2 | 79% | 0.785 | 84% | 0.836 | S | S | * | * | trans | 94.5 | 93.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 53 | R | 33.6 | Very low | 34.7 | Very low | 236 Ų | 236 | 160.1 Ų | 160.1 | 89% | 0.891 | 84% | 0.84 | S | S | * | * | -171.3 | 137.5 | 118.5 | -109.5 | 178.2 | -171.3 | -143 | 1.7 | 111.3 | |||||
| 54 | L | 34.4 | Very low | 34.3 | Very low | 159 Ų | 159 | 162.2 Ų | 162.2 | 83% | 0.832 | 84% | 0.841 | S | S | * | * | trans | 90.9 | 86.5 | 160.7 | -55.7 | 165.8 | 0 | 0 | 0 | 118.8 | ||||
| 55 | Q | 33.1 | Very low | 34.2 | Very low | 180 Ų | 180 | 168.6 Ų | 168.6 | 84% | 0.841 | 86% | 0.856 | S | S | * | * | 31.7 | 153.4 | 120.8 | -66.4 | -79.3 | -4.7 | 0 | 0 | 122.2 | |||||
| 56 | P | 42 | Very low | 33.7 | Very low | 106 Ų | 106 | 171.1 Ų | 171.1 | 69% | 0.688 | 85% | 0.854 | S | S | * | * | trans | -94.5 | 158 | -163.8 | 39.4 | -34.5 | 0 | 0 | 0 | 113.7 | ||||
| 57 | I | 31.6 | Very low | 33.8 | Very low | 170 Ų | 170 | 170 Ų | 170 | 87% | 0.872 | 85% | 0.849 | S | S | * | * | trans | -131.4 | 122 | 164.1 | -60.2 | 179.5 | 0 | 0 | 0 | 108.6 | ||||
| 58 | R | 35.4 | Very low | 33.9 | Very low | 234 Ų | 234 | 167.2 Ų | 167.2 | 88% | 0.883 | 84% | 0.842 | S | S | * | * | trans | -80.6 | 145.4 | 161.4 | -64.3 | -176 | -156.2 | -169.6 | 5.4 | 108.4 | ||||
| 59 | C | 28.7 | Very low | 33.6 | Very low | 133 Ų | 133 | 167.3 Ų | 167.3 | 90% | 0.899 | 84% | 0.836 | S | S | * | * | trans | -168 | 130.4 | 130.6 | -99.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 60 | G | 30 | Very low | 33.3 | Very low | 70 Ų | 70 | 161.8 Ų | 161.8 | 72% | 0.722 | 83% | 0.832 | S | S | * | * | trans | -88.7 | 154.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 61 | E | 30.9 | Very low | 33 | Very low | 203 Ų | 203 | 158.3 Ų | 158.3 | 95% | 0.949 | 83% | 0.826 | S | S | * | * | trans | -168.9 | 151.2 | 142.2 | -114.1 | 176.3 | 162.9 | 0 | 0 | 111.2 | ||||
| 62 | K | 32.2 | Very low | 32.5 | Very low | 190 Ų | 190 | 152.2 Ų | 152.2 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | -63.4 | 140.5 | -175.6 | -70.3 | 165.4 | 172.2 | 173.6 | 0 | 112 | ||||
| 63 | L | 31.1 | Very low | 32.1 | Very low | 167 Ų | 167 | 156.8 Ų | 156.8 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -140.6 | 119.6 | 142.7 | -110.1 | 108.8 | 0 | 0 | 0 | 110.7 | ||||
| 64 | H | 30.3 | Very low | 31.7 | Very low | 175 Ų | 175 | 154.7 Ų | 154.7 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -54.6 | 135.2 | 159.2 | -90 | -121.8 | 0 | 0 | 0 | 109.8 | ||||
| 65 | F | 27.9 | Very low | 31.4 | Very low | 205 Ų | 205 | 155.2 Ų | 155.2 | 90% | 0.899 | 81% | 0.811 | S | S | * | * | trans | -166.2 | 128 | 141.6 | -110.4 | -79.6 | 0 | 0 | 0 | 110 | ||||
| 66 | L | 29.9 | Very low | 31 | Very low | 157 Ų | 157 | 153 Ų | 153 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -140.2 | 149.8 | 173.3 | -134.5 | 147.6 | 0 | 0 | 0 | 103.9 | ||||
| 67 | P | 38 | Very low | 30.4 | Very low | 104 Ų | 104 | 154.2 Ų | 154.2 | 68% | 0.675 | 81% | 0.811 | S | S | * | * | -115.1 | -168.9 | -53.8 | 38.3 | -25.3 | 0 | 0 | 0 | 110.8 | |||||
| 68 | P | 36.9 | Very low | 30.3 | Very low | 119 Ų | 119 | 151.3 Ų | 151.3 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -124.5 | 148.1 | 130.5 | 35.3 | -27.9 | 0 | 0 | 0 | 112.6 | ||||
| 69 | S | 31.1 | Very low | 30 | Very low | 104 Ų | 104 | 147.1 Ų | 147.1 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -56.5 | 155.6 | 165.1 | 45.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 70 | P | 35.4 | Very low | 29.9 | Very low | 126 Ų | 126 | 147 Ų | 147 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -126.9 | 130.8 | 134.3 | 3.4 | 17.6 | 0 | 0 | 0 | 112.6 | ||||
| 71 | Q | 27.8 | Very low | 29.9 | Very low | 180 Ų | 180 | 149.3 Ų | 149.3 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | trans | -65.6 | 155.6 | 161.9 | -65.7 | 172.4 | -7.7 | 0 | 0 | 110.9 | ||||
| 72 | A | 27.8 | Very low | 29.8 | Very low | 84 Ų | 84 | 145.1 Ų | 145.1 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | trans | 59.9 | 96.8 | 151.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 73 | F | 25 | Very low | 29.8 | Very low | 190 Ų | 190 | 145.9 Ų | 145.9 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | trans | -116.5 | 98.6 | 141.9 | -96.1 | -83.8 | 0 | 0 | 0 | 109.4 | F75 | F73-F75 HydrophobicContact CD1-CD2 4.02Å; F73-F75 HydrophobicContact CD1-CE2 4.02Å; F73-F75 HydrophobicContact CE1-CE2 4.24Å | ||
| 74 | F | 26.3 | Very low | 29.9 | Very low | 192 Ų | 192 | 149.6 Ų | 149.6 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | trans | -63.9 | 121.9 | 150.8 | -98.7 | -100.9 | 0 | 0 | 0 | 107.5 | ||||
| 75 | F | 27.7 | Very low | 29.9 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 75% | 0.75 | 78% | 0.775 | S | S | * | * | trans | -124.5 | 100.6 | 153.4 | -109.5 | -84.8 | 0 | 0 | 0 | 109.2 | F73 T77 | F73-F75 HydrophobicContact CD1-CD2 4.02Å; F73-F75 HydrophobicContact CD1-CE2 4.02Å; F73-F75 HydrophobicContact CE1-CE2 4.24Å; F75-T77 PolarHBondContact O-N 3.09Å | ||
| 76 | N | 24.5 | Very low | 30.2 | Very low | 132 Ų | 132 | 148.1 Ų | 148.1 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | -58.6 | 121.9 | 158.8 | -142.8 | -7.7 | 0 | 0 | 0 | 107.1 | ||||
| 77 | T | 28.9 | Very low | 30.3 | Very low | 132 Ų | 132 | 149.8 Ų | 149.8 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -110.7 | 94.5 | 160.1 | 34.1 | 0 | 0 | 0 | 0 | 107.3 | F75 E79 | F75-T77 PolarHBondContact O-N 3.09Å; T77-E79 PolarHBondContact O-N 3.35Å | ||
| 78 | T | 30.3 | Very low | 29.8 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | trans | -56.4 | 120.5 | 163.3 | 34.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 79 | E | 29.9 | Very low | 29.6 | Very low | 145 Ų | 145 | 150.6 Ų | 150.6 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | 49.1 | 85.7 | 122.9 | -152.6 | 176.4 | -177.1 | 0 | 0 | 117.1 | T77 Q81 | T77-E79 PolarHBondContact O-N 3.35Å; E79-Q81 HydrophobicContact CG-CG 4.05Å; E79-Q81 PolarHBondContact O-N 3.05Å; E79-Q81 PolarHBondContact OE1-NE2 3.32Å | |||
| 80 | C | 25.8 | Very low | 29.5 | Very low | 132 Ų | 132 | 149.3 Ų | 149.3 | 89% | 0.892 | 79% | 0.789 | S | S | * | * | trans | -88.2 | 81.2 | 159.7 | -149.1 | 0 | 0 | 0 | 0 | 109.1 | S82 | C80-S82 PolarHBondContact O-N 2.94Š| ||
| 81 | Q | 30 | Very low | 29.2 | Very low | 118 Ų | 118 | 148.9 Ų | 148.9 | 55% | 0.551 | 79% | 0.789 | S | S | * | * | trans | -69.8 | 117.8 | 161.6 | -82.6 | -169.6 | 38.1 | 0 | 0 | 108.8 | E79 | E79-Q81 HydrophobicContact CG-CG 4.05Å; E79-Q81 PolarHBondContact O-N 3.05Å; E79-Q81 PolarHBondContact OE1-NE2 3.32Å | ||
| 82 | S | 28.9 | Very low | 29.5 | Very low | 115 Ų | 115 | 150.6 Ų | 150.6 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -120.5 | 92.8 | 154.9 | -97.6 | 0 | 0 | 0 | 0 | 109.2 | C80 R84 | C80-S82 PolarHBondContact O-N 2.94Å; S82-R84 PolarHBondContact O-N 2.78Å | ||
| 83 | R | 31.1 | Very low | 29.7 | Very low | 205 Ų | 205 | 155 Ų | 155 | 77% | 0.774 | 80% | 0.802 | S | S | * | * | trans | -59.7 | 117.7 | 160.8 | -72.2 | 177.4 | 176.4 | -143.6 | -5.2 | 108.7 | ||||
| 84 | R | 34.5 | Very low | 29.9 | Very low | 246 Ų | 246 | 151.1 Ų | 151.1 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | trans | -103.3 | 104.5 | 151.5 | -91.6 | -170 | -90 | -177.7 | -6.4 | 108.4 | S82 | S82-R84 PolarHBondContact O-N 2.78Š| ||
| 85 | K | 30.7 | Very low | 30.2 | Very low | 178 Ų | 178 | 146.8 Ų | 146.8 | 77% | 0.774 | 80% | 0.798 | S | S | * | * | trans | -91.6 | 110.2 | 168.7 | -168.2 | 160.5 | -173.7 | 172.8 | 0 | 106.7 | ||||
| 86 | L | 32.8 | Very low | 30.4 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | -127.2 | 112.6 | 159.6 | -88.8 | 164.9 | 0 | 0 | 0 | 107 | ||||
| 87 | K | 31.6 | Very low | 30.8 | Very low | 192 Ų | 192 | 147.5 Ų | 147.5 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -105 | 126.2 | 173.3 | -155.4 | -179.8 | -172.3 | -173.6 | 0 | 104.9 | ||||
| 88 | G | 29.2 | Very low | 30.9 | Very low | 77 Ų | 77 | 145.6 Ų | 145.6 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -174 | 95.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 89 | N | 31.8 | Very low | 30.8 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | trans | -65 | 151.1 | -179.1 | -71 | -18.8 | 0 | 0 | 0 | 112.7 | ||||
| 90 | G | 28.4 | Very low | 30.8 | Very low | 78 Ų | 78 | 141.4 Ų | 141.4 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -168.9 | 85.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 91 | S | 31.1 | Very low | 31 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -54 | 142.4 | 172.4 | -53.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 92 | K | 32.7 | Very low | 31 | Very low | 215 Ų | 215 | 143.1 Ų | 143.1 | 94% | 0.935 | 84% | 0.839 | S | S | * | * | trans | -162.8 | 142.6 | 132 | -108.2 | 169.1 | -173.5 | -177.2 | 0 | 111.7 | ||||
| 93 | M | 31.5 | Very low | 31.1 | Very low | 177 Ų | 177 | 147.8 Ų | 147.8 | 87% | 0.872 | 84% | 0.839 | S | S | * | * | trans | -86.1 | 152.8 | -167.3 | -68.7 | 161.6 | 58.6 | 0 | 0 | 112.9 | ||||
| 94 | S | 30.5 | Very low | 31.4 | Very low | 108 Ų | 108 | 145 Ų | 145 | 76% | 0.755 | 84% | 0.844 | S | S | * | * | trans | 55.1 | 122.9 | 134.3 | -144.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 95 | A | 32.2 | Very low | 31.2 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | trans | -154.5 | 129.4 | 131.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 96 | V | 32.5 | Very low | 31.4 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 75% | 0.752 | 83% | 0.834 | S | S | * | * | trans | -68.7 | 143.6 | 169.8 | 163.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 97 | Q | 33.4 | Very low | 31.3 | Very low | 193 Ų | 193 | 131.5 Ų | 131.5 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -157 | 134.8 | 140.2 | -155 | 97.8 | 18.1 | 0 | 0 | 110.4 | ||||
| 98 | A | 30.3 | Very low | 31.4 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | trans | -87.6 | 166.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 99 | G | 27.7 | Very low | 31.4 | Very low | 85 Ų | 85 | 134.6 Ų | 134.6 | 88% | 0.876 | 83% | 0.832 | S | S | * | * | trans | 104.3 | 137 | 140.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 100 | G | 30.6 | Very low | 31.4 | Very low | 82 Ų | 82 | 131.9 Ų | 131.9 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | 143.6 | 96.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 101 | E | 28.6 | Very low | 31.5 | Very low | 209 Ų | 209 | 135.6 Ų | 135.6 | 98% | 0.977 | 83% | 0.827 | S | S | * | * | trans | -56.8 | 157.6 | 167.6 | -61.6 | -173.7 | 105.4 | 0 | 0 | 113.3 | ||||
| 102 | G | 31.2 | Very low | 31.7 | Very low | 77 Ų | 77 | 136.9 Ų | 136.9 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | -174.1 | 65.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 103 | R | 30 | Very low | 31.6 | Very low | 213 Ų | 213 | 130.8 Ų | 130.8 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -59.2 | 134.1 | 169 | 179.5 | -178 | -176.6 | 139.7 | 1.2 | 111.6 | D105 | R103-D105 IonicContact NE-OD2 3.78Å; R103-D105 IonicContact NH2-OD2 3.64Å | ||
| 104 | V | 37.6 | Very low | 31.6 | Very low | 145 Ų | 145 | 128 Ų | 128 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -141.7 | 125.5 | 148.5 | -77.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 105 | D | 30.1 | Very low | 31.8 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 62% | 0.62 | 82% | 0.821 | S | S | * | * | trans | -72.2 | 151.1 | 177.9 | -112.9 | -63.1 | 0 | 0 | 0 | 111.9 | R103 | R103-D105 IonicContact NE-OD2 3.78Å; R103-D105 IonicContact NH2-OD2 3.64Å | ||
| 106 | S | 35.3 | Very low | 31.8 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -161 | 114.7 | 148.1 | -80.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 107 | G | 30.9 | Very low | 31.6 | Very low | 71 Ų | 71 | 125.7 Ų | 125.7 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | trans | -91.7 | 169.9 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 108 | R | 33 | Very low | 31.5 | Very low | 257 Ų | 257 | 119.9 Ų | 119.9 | 97% | 0.97 | 82% | 0.819 | S | S | * | * | trans | -178.2 | 121.9 | 155.7 | -107.5 | 178.5 | 176.1 | -145.4 | -1.5 | 103.2 | ||||
| 109 | G | 29.3 | Very low | 31.6 | Very low | 76 Ų | 76 | 122.1 Ų | 122.1 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | cis | 119.2 | 129.6 | 40.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 110 | S | 32 | Very low | 31.8 | Very low | 106 Ų | 106 | 123.6 Ų | 123.6 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | trans | 109.1 | 96.7 | 159.5 | -149.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 111 | L | 31.2 | Very low | 31.8 | Very low | 157 Ų | 157 | 123.4 Ų | 123.4 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | 48 | 117.4 | 122.2 | -55 | 171.4 | 0 | 0 | 0 | 121.1 | |||||
| 112 | T | 35.7 | Very low | 31.9 | Very low | 143 Ų | 143 | 119 Ų | 119 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | -178.4 | 113.2 | 119.7 | 46.7 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 113 | A | 30.9 | Very low | 33 | Very low | 88 Ų | 88 | 120.9 Ų | 120.9 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | 75.8 | 112.7 | 84.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 114 | S | 30.8 | Very low | 33 | Very low | 118 Ų | 118 | 121.4 Ų | 121.4 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | 71.2 | 137 | 150.1 | -52.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 115 | S | 33.6 | Very low | 32.6 | Very low | 117 Ų | 117 | 120.5 Ų | 120.5 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | cis | 179.9 | 154.8 | 27.9 | 27.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 116 | G | 32.3 | Very low | 32.8 | Very low | 84 Ų | 84 | 123.4 Ų | 123.4 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | 83.8 | 127.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 117 | G | 29.8 | Very low | 32.5 | Very low | 84 Ų | 84 | 126.7 Ų | 126.7 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | cis | 120.3 | 103.9 | 23.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 118 | G | 29.8 | Very low | 32.5 | Very low | 71 Ų | 71 | 133.1 Ų | 133.1 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | 111.7 | 105.3 | 148.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 119 | V | 32.5 | Very low | 32.5 | Very low | 140 Ų | 140 | 127.8 Ų | 127.8 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | 79.9 | 123.8 | 126 | -144.3 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 120 | S | 32.7 | Very low | 32.6 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | 74 | 127.7 | 142.6 | 54.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 121 | G | 30.7 | Very low | 33.7 | Very low | 79 Ų | 79 | 131.4 Ų | 131.4 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | 119.1 | 90.2 | 124.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 122 | S | 30.3 | Very low | 34.2 | Very low | 117 Ų | 117 | 130 Ų | 130 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -87.9 | -176.5 | 153.9 | -64.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 123 | P | 54.1 | Low | 34 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | -129.6 | -164.2 | -62.7 | 37.7 | -20.7 | 0 | 0 | 0 | 109.8 | |||||
| 124 | R | 29.9 | Very low | 34.1 | Very low | 223 Ų | 223 | 132 Ų | 132 | 84% | 0.842 | 81% | 0.806 | S | S | * | * | trans | 114.7 | 145.1 | 169.2 | -71.1 | -175.4 | 163.3 | -128 | -1.5 | 112.5 | ||||
| 125 | L | 30.6 | Very low | 34.3 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | cis | -158.6 | 153.8 | -5.7 | -111.7 | 161.6 | 0 | 0 | 0 | 108.4 | ||||
| 126 | H | 32.5 | Very low | 34.9 | Very low | 178 Ų | 178 | 129.2 Ų | 129.2 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -39.9 | 134.6 | 151.8 | -79.4 | 62 | 0 | 0 | 0 | 114.1 | ||||
| 127 | Q | 30.6 | Very low | 35.8 | Very low | 193 Ų | 193 | 136 Ų | 136 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -150.5 | 127 | 134.2 | -150.3 | 162.1 | 20.1 | 0 | 0 | 113.6 | ||||
| 128 | R | 31.1 | Very low | 36.9 | Very low | 207 Ų | 207 | 136.9 Ų | 136.9 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | trans | -77 | 133.8 | 177.4 | 167.7 | -173.3 | -177.5 | 172.5 | 1.2 | 110.4 | ||||
| 129 | V | 31.6 | Very low | 37.6 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 87% | 0.873 | 79% | 0.789 | S | S | * | * | trans | -142 | 129.8 | 152.8 | -178.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 130 | Q | 32.1 | Very low | 38.5 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -92 | 173 | 176.5 | -102 | -166 | 27.8 | 0 | 0 | 110.9 | ||||
| 131 | P | 55.5 | Low | 39.3 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -97.5 | -175.9 | -138.1 | 40.5 | -37.8 | 0 | 0 | 0 | 114.6 | ||||
| 132 | P | 41.7 | Very low | 40.3 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | -134.9 | 151.3 | 127.2 | 33.1 | -19 | 0 | 0 | 0 | 115.5 | |||||
| 133 | N | 31.8 | Very low | 41.3 | Very low | 154 Ų | 154 | 144 Ų | 144 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | trans | -25.8 | 137.5 | 161.5 | -84.9 | -22.8 | 0 | 0 | 0 | 116.7 | ||||
| 134 | S | 31.9 | Very low | 41.5 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | 152.3 | 144.3 | 96 | 52.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 135 | G | 34.5 | Very low | 42.9 | Very low | 69 Ų | 69 | 140.7 Ų | 140.7 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | trans | 99.3 | 93.5 | 147.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 136 | S | 46.1 | Very low | 44.3 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | 54.4 | 100.6 | 124.4 | 179.9 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 137 | R | 52.3 | Low | 45.7 | Very low | 225 Ų | 225 | 138.3 Ų | 138.3 | 85% | 0.849 | 72% | 0.719 | S | S | * | * | trans | 152 | 72.2 | 141.2 | -81.2 | 161.1 | -171.6 | -159.3 | 4.6 | 111 | ||||
| 138 | T | 52 | Low | 47.2 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 63% | 0.632 | 71% | 0.708 | S | S | * | * | trans | -140.9 | 41.6 | 174.7 | 61.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 139 | K | 45.6 | Very low | 48.6 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 81% | 0.809 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -108.1 | -27.7 | 167.5 | -83.8 | -175 | 175.2 | 178.8 | 0 | 113.4 | ||
| 140 | D | 51.4 | Low | 49.9 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 65% | 0.652 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -79.6 | -35.7 | 179.8 | -63.8 | -50.7 | 0 | 0 | 0 | 113.8 | R142 N143 Q144 | D140-R142 PolarHBondContact O-N 3.47Å; D140-N143 PolarHBondContact O-N 2.78Å; D140-Q144 PolarHBondContact O-N 3.13Å |
| 141 | S | 49.2 | Very low | 51.1 | Low | 77 Ų | 77 | 128.3 Ų | 128.3 | 54% | 0.538 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -68.5 | -32.6 | -178.9 | -47.3 | 0 | 0 | 0 | 0 | 113 | Q145 | S141-Q145 WeakPolarHBondContact O-CB 3.24Å; S141-Q145 PolarHBondContact O-N 3.26Å |
| 142 | R | 51 | Low | 51.2 | Low | 183 Ų | 183 | 128.9 Ų | 128.9 | 69% | 0.691 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -70.6 | -36.4 | 174.2 | -74.4 | -175.9 | -171.2 | 169.1 | 4.1 | 111.6 | D140 Q145 Q146 | D140-R142 PolarHBondContact O-N 3.47Å; R142-Q145 PolarHBondContact O-N 3.25Å; R142-Q146 WeakPolarHBondContact O-CB 3.4Å; R142-Q146 PolarHBondContact O-N 3.21Å |
| 143 | N | 52 | Low | 51.8 | Low | 104 Ų | 104 | 128.7 Ų | 128.7 | 56% | 0.556 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -72.2 | -40.9 | -179.9 | -150.8 | -21.5 | 0 | 0 | 0 | 111.2 | D140 Q146 Q147 | D140-N143 PolarHBondContact O-N 2.78Å; N143-Q146 PolarHBondContact O-N 2.88Å; N143-Q147 VanDerWaalsContact O-CB 3.3Å; N143-Q147 WeakPolarHBondContact O-CB 3.43Å; N143-Q147 PolarHBondContact O-N 3.11Å |
| 144 | Q | 58.7 | Low | 52.7 | Low | 141 Ų | 141 | 127.9 Ų | 127.9 | 66% | 0.659 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.6 | -41.3 | 171.4 | -81.8 | -175.7 | 12.3 | 0 | 0 | 112.7 | D140 Q146 Q147 Q148 | D140-Q144 PolarHBondContact O-N 3.13Å; Q144-Q146 VanDerWaalsContact C-N 3.34Å; Q144-Q146 PolarHBondContact O-N 3.4Å; Q144-Q147 PolarHBondContact O-N 3.26Å; Q144-Q148 WeakPolarHBondContact O-CB 3.35Å; Q144-Q148 PolarHBondContact O-N 3.08Å |
| 145 | Q | 59.4 | Low | 53.4 | Low | 129 Ų | 129 | 132.2 Ų | 132.2 | 60% | 0.603 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.3 | -33.8 | 178.6 | -161.9 | 163.2 | 26.9 | 0 | 0 | 112 | S141 R142 L149 | S141-Q145 WeakPolarHBondContact O-CB 3.24Å; S141-Q145 PolarHBondContact O-N 3.26Å; R142-Q145 PolarHBondContact O-N 3.25Å; Q145-L149 PolarHBondContact O-N 3.04Å; Q145-L149 VanDerWaalsContact O-N 3.12Å |
| 146 | Q | 60.5 | Low | 53.7 | Low | 136 Ų | 136 | 135.7 Ų | 135.7 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.4 | -34.6 | 174.1 | -159.4 | 166.6 | 20.1 | 0 | 0 | 111.9 | R142 N143 Q144 Q150 | R142-Q146 WeakPolarHBondContact O-CB 3.4Å; R142-Q146 PolarHBondContact O-N 3.21Å; N143-Q146 PolarHBondContact O-N 2.88Å; Q144-Q146 VanDerWaalsContact C-N 3.34Å; Q144-Q146 PolarHBondContact O-N 3.4Å; Q146-Q150 PolarHBondContact O-N 3.12Å; Q146-Q150 VanDerWaalsContact O-N 3.11Å |
| 147 | Q | 61.7 | Low | 53.6 | Low | 119 Ų | 119 | 137.8 Ų | 137.8 | 56% | 0.556 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.9 | -34.8 | 174.1 | -163.5 | 167 | 58.4 | 0 | 0 | 112 | N143 Q144 Q150 L151 | N143-Q147 VanDerWaalsContact O-CB 3.3Å; N143-Q147 WeakPolarHBondContact O-CB 3.43Å; N143-Q147 PolarHBondContact O-N 3.11Å; Q144-Q147 PolarHBondContact O-N 3.26Å; Q147-Q150 PolarHBondContact O-N 3.31Å; Q147-L151 PolarHBondContact O-N 3.4Å |
| 148 | Q | 61.8 | Low | 53.2 | Low | 146 Ų | 146 | 130.4 Ų | 130.4 | 68% | 0.682 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.8 | -36.6 | 175.7 | -147.9 | 170.1 | 42.8 | 0 | 0 | 112.4 | Q144 Q150 Q152 | Q144-Q148 WeakPolarHBondContact O-CB 3.35Å; Q144-Q148 PolarHBondContact O-N 3.08Å; Q148-Q150 VanDerWaalsContact C-N 3.32Å; Q148-Q150 PolarHBondContact O-N 2.9Å; Q148-Q152 PolarHBondContact O-N 3.33Å; Q148-Q152 VanDerWaalsContact O-N 3.09Å |
| 149 | L | 59.1 | Low | 52.8 | Low | 107 Ų | 107 | 128.6 Ų | 128.6 | 56% | 0.56 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.9 | -32 | 170.8 | -82.6 | 158 | 0 | 0 | 0 | 112.6 | Q145 Q153 | Q145-L149 PolarHBondContact O-N 3.04Å; Q145-L149 VanDerWaalsContact O-N 3.12Å; L149-Q153 PolarHBondContact O-N 3.43Å; L149-Q153 VanDerWaalsContact O-N 3.09Å |
| 150 | Q | 60.2 | Low | 52.5 | Low | 130 Ų | 130 | 124 Ų | 124 | 61% | 0.607 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -75.9 | -36.2 | 178.7 | -150.9 | 168.2 | 47 | 0 | 0 | 112.5 | Q146 Q147 Q148 Q153 Q154 | Q146-Q150 PolarHBondContact O-N 3.12Å; Q146-Q150 VanDerWaalsContact O-N 3.11Å; Q147-Q150 PolarHBondContact O-N 3.31Å; Q148-Q150 VanDerWaalsContact C-N 3.32Å; Q148-Q150 PolarHBondContact O-N 2.9Å; Q150-Q153 PolarHBondContact O-N 3.11Å; Q150-Q154 PolarHBondContact O-N 3.02Å; Q150-Q154 VanDerWaalsContact O-N 3.11Å |
| 151 | L | 57.6 | Low | 52 | Low | 102 Ų | 102 | 126.9 Ų | 126.9 | 53% | 0.534 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -68.5 | -35.3 | 172.2 | -82.6 | 153.1 | 0 | 0 | 0 | 112.5 | Q147 Q153 Q154 R155 | Q147-L151 PolarHBondContact O-N 3.4Å; L151-Q153 VanDerWaalsContact C-N 3.34Å; L151-Q154 PolarHBondContact O-N 3.33Å; L151-R155 PolarHBondContact O-N 3.41Å; L151-R155 VanDerWaalsContact O-N 3.15Å |
| 152 | Q | 57.5 | Low | 51.8 | Low | 119 Ų | 119 | 130 Ų | 130 | 56% | 0.556 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.1 | -34.6 | 173.3 | -158.7 | 167.4 | 35.1 | 0 | 0 | 111.5 | Q148 Q154 R155 H156 | Q148-Q152 PolarHBondContact O-N 3.33Å; Q148-Q152 VanDerWaalsContact O-N 3.09Å; Q152-Q154 PolarHBondContact O-N 3.12Å; Q152-R155 PolarHBondContact O-N 3.16Å; Q152-H156 PolarHBondContact O-CD2 3.28Å; Q152-H156 PolarHBondContact O-N 3.04Å; Q152-H156 VanDerWaalsContact O-N 3.15Å |
| 153 | Q | 54 | Low | 51.4 | Low | 124 Ų | 124 | 129.8 Ų | 129.8 | 58% | 0.579 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -64.3 | -38.5 | 172.3 | -129.3 | 175.9 | 95.7 | 0 | 0 | 111.9 | L149 Q150 L151 R155 H156 H157 | L149-Q153 PolarHBondContact O-N 3.43Å; L149-Q153 VanDerWaalsContact O-N 3.09Å; Q150-Q153 PolarHBondContact O-N 3.11Å; L151-Q153 VanDerWaalsContact C-N 3.34Å; Q153-R155 VanDerWaalsContact C-N 3.33Å; Q153-R155 PolarHBondContact O-N 3.37Å; Q153-H156 PolarHBondContact O-N 3Å; Q153-H157 PolarHBondContact O-N 3.11Å; Q153-H157 VanDerWaalsContact O-N 3.11Å; Q153-H157 PolarHBondContact O-ND1 3.28Å |
| 154 | Q | 50.6 | Low | 50.5 | Low | 136 Ų | 136 | 132.4 Ų | 132.4 | 64% | 0.636 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -65.9 | -33 | 173.6 | -73.1 | -176.6 | 9.4 | 0 | 0 | 113.1 | Q150 L151 Q152 H156 H157 G158 | Q150-Q154 PolarHBondContact O-N 3.02Å; Q150-Q154 VanDerWaalsContact O-N 3.11Å; L151-Q154 PolarHBondContact O-N 3.33Å; Q152-Q154 PolarHBondContact O-N 3.12Å; Q154-H156 VanDerWaalsContact C-N 3.31Å; Q154-H156 PolarHBondContact O-N 3.48Å; Q154-H157 PolarHBondContact O-N 3.31Å; Q154-G158 PolarHBondContact O-N 3.01Å; Q154-G158 VanDerWaalsContact O-N 3.16Å |
| 155 | R | 46.3 | Very low | 49.6 | Very low | 210 Ų | 210 | 129.4 Ų | 129.4 | 79% | 0.792 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -69.3 | -25.3 | 173.5 | -74.3 | -78 | -73.8 | 161 | -2.4 | 113.5 | L151 Q152 Q153 | L151-R155 PolarHBondContact O-N 3.41Å; L151-R155 VanDerWaalsContact O-N 3.15Å; Q152-R155 PolarHBondContact O-N 3.16Å; Q153-R155 VanDerWaalsContact C-N 3.33Å; Q153-R155 PolarHBondContact O-N 3.37Å |
| 156 | H | 41.8 | Very low | 48.8 | Very low | 143 Ų | 143 | 126.3 Ų | 126.3 | 66% | 0.662 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -84.1 | -19.1 | 171.4 | -71.9 | -67.8 | 0 | 0 | 0 | 113.8 | Q152 Q153 Q154 | Q152-H156 PolarHBondContact O-CD2 3.28Å; Q152-H156 PolarHBondContact O-N 3.04Å; Q152-H156 VanDerWaalsContact O-N 3.15Å; Q153-H156 PolarHBondContact O-N 3Å; Q154-H156 VanDerWaalsContact C-N 3.31Å; Q154-H156 PolarHBondContact O-N 3.48Å |
| 157 | H | 42.9 | Very low | 48.2 | Very low | 152 Ų | 152 | 124.4 Ų | 124.4 | 70% | 0.704 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -86.9 | -8.4 | 171 | -68.8 | 78.1 | 0 | 0 | 0 | 113.2 | Q153 Q154 | Q153-H157 PolarHBondContact O-N 3.11Å; Q153-H157 VanDerWaalsContact O-N 3.11Å; Q153-H157 PolarHBondContact O-ND1 3.28Å; Q154-H157 PolarHBondContact O-N 3.31Å |
| 158 | G | 43.8 | Very low | 47.9 | Very low | 69 Ų | 69 | 125 Ų | 125 | 71% | 0.711 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 6.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q154 | Q154-G158 PolarHBondContact O-N 3.01Å; Q154-G158 VanDerWaalsContact O-N 3.16Å |
| 159 | G | 43.3 | Very low | 48.5 | Very low | 65 Ų | 65 | 122.6 Ų | 122.6 | 67% | 0.67 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -123.5 | 33 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 160 | S | 40.4 | Very low | 49.1 | Very low | 90 Ų | 90 | 117.9 Ų | 117.9 | 63% | 0.629 | 61% | 0.612 | S | S | * | * | trans | -152.4 | 59.7 | 162.7 | -153.8 | 0 | 0 | 0 | 0 | 109 | L162 | S160-L162 PolarHBondContact O-N 3.42Š| ||
| 161 | M | 39.7 | Very low | 50 | Low | 183 Ų | 183 | 114 Ų | 114 | 90% | 0.901 | 60% | 0.602 | S | S | * | * | trans | -60.6 | 88.3 | 134.4 | -79.8 | -113.2 | -64.2 | 0 | 0 | 104.2 | K163 | M161-K163 PolarHBondContact O-N 2.96Š| ||
| 162 | L | 44.8 | Very low | 51.2 | Low | 141 Ų | 141 | 111.1 Ų | 111.1 | 74% | 0.738 | 59% | 0.587 | S | S | * | * | trans | -42.9 | 104.9 | 148.3 | -79.1 | 164.6 | 0 | 0 | 0 | 103 | S160 Q164 | S160-L162 PolarHBondContact O-N 3.42Å; L162-Q164 PolarHBondContact O-N 3.05Å | ||
| 163 | K | 42.7 | Very low | 52.5 | Low | 179 Ų | 179 | 106.1 Ų | 106.1 | 78% | 0.778 | 57% | 0.565 | S | S | * | * | trans | -45.9 | 101.3 | 157 | -177.3 | 171.6 | -177.9 | 178.2 | 0 | 101.5 | M161 P165 | M161-K163 PolarHBondContact O-N 2.96Å; K163-P165 VanDerWaalsContact C-N 3.35Å; K163-P165 VanDerWaalsContact O-CD 3.32Å; K163-P165 WeakPolarHBondContact O-CD 3.14Å | ||
| 164 | Q | 33.3 | Very low | 54 | Low | 159 Ų | 159 | 100.8 Ų | 100.8 | 74% | 0.743 | 54% | 0.54 | S | S | * | . | trans | -48.1 | 118.3 | 167 | -86.1 | -147.9 | -5 | 0 | 0 | 102 | L162 S166 | L162-Q164 PolarHBondContact O-N 3.05Å; Q164-S166 VanDerWaalsContact C-N 3.32Å; Q164-S166 PolarHBondContact O-N 2.98Å | ||
| 165 | P | 39.5 | Very low | 55.9 | Low | 79 Ų | 79 | 101.3 Ų | 101.3 | 51% | 0.513 | 54% | 0.537 | S | S | . | . | trans | -54.2 | 115.8 | 179 | 20.7 | -27.8 | 0 | 0 | 0 | 102.5 | K163 H167 | K163-P165 VanDerWaalsContact C-N 3.35Å; K163-P165 VanDerWaalsContact O-CD 3.32Å; K163-P165 WeakPolarHBondContact O-CD 3.14Å; P165-H167 WeakPolarHBondContact O-CA 3.41Å; P165-H167 PolarHBondContact O-CD2 3.44Å; P165-H167 PolarHBondContact O-N 3.18Å | ||
| 166 | S | 42.9 | Very low | 58 | Low | 64 Ų | 64 | 93.6 Ų | 93.6 | 45% | 0.448 | 51% | 0.508 | S | S | . | . | trans | -52.8 | 100.4 | 174.7 | 37 | 0 | 0 | 0 | 0 | 103.3 | Q164 N168 | Q164-S166 VanDerWaalsContact C-N 3.32Å; Q164-S166 PolarHBondContact O-N 2.98Å; S166-N168 PolarHBondContact O-N 3.44Å | ||
| 167 | H | 48.2 | Very low | 60.4 | Low | 96 Ų | 96 | 86.9 Ų | 86.9 | 44% | 0.444 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 10.9 | -165.4 | -102.7 | -83.8 | 0 | 0 | 0 | 111.9 | P165 R176 | P165-H167 WeakPolarHBondContact O-CA 3.41Å; P165-H167 PolarHBondContact O-CD2 3.44Å; P165-H167 PolarHBondContact O-N 3.18Å; H167-R176 PolarHBondContact O-NH2 3.23Å |
| 168 | N | 55.4 | Low | 62.7 | Low | 131 Ų | 131 | 82.5 Ų | 82.5 | 70% | 0.701 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.2 | 4.2 | -154.1 | -62 | -8 | 0 | 0 | 0 | 112.2 | S166 | S166-N168 PolarHBondContact O-N 3.44Š|
| 169 | E | 73.9 | Confident | 65.1 | Low | 95 Ų | 95 | 83.1 Ų | 83.1 | 44% | 0.444 | 45% | 0.445 | S | S | . | . | trans | -73.8 | 125.2 | 163.7 | -75.8 | -60.2 | 124.1 | 0 | 0 | 108.5 | A171 D172 V173 | E169-A171 PolarHBondContact O-N 2.96Å; E169-D172 HydrophobicContact CB-CB 4.27Å; E169-D172 WeakPolarHBondContact O-CB 3.32Å; E169-D172 PolarHBondContact O-N 2.88Å; E169-V173 PolarHBondContact O-N 3.15Å | ||
| 170 | P | 72.3 | Confident | 67.5 | Low | 9 Ų | 9 | 81.1 Ų | 81.1 | 6% | 0.058 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.5 | -31.3 | -175 | 24.3 | -32.7 | 0 | 0 | 0 | 111.7 | D172 V173 V174 L210 L214 S235 L237 | P170-D172 VanDerWaalsContact C-N 3.32Å; P170-D172 PolarHBondContact O-N 3.42Å; P170-V173 PolarHBondContact O-N 3.48Å; P170-V174 WeakPolarHBondContact O-CG2 3.49Å; P170-V174 PolarHBondContact O-N 3.16Å; P170-L210 HydrophobicContact CB-CD1 3.81Å; P170-L210 HydrophobicContact CB-CG 4.49Å; P170-L210 WeakPolarHBondContact O-CD1 3.38Å; P170-L214 HydrophobicContact CB-CD2 4.38Å; P170-S235 VanDerWaalsContact CD-OG 3.32Å; P170-S235 WeakPolarHBondContact CD-OG 3.16Å; P170-S235 WeakPolarHBondContact CG-OG 3.43Å; P170-L237 HydrophobicContact CB-CD1 4.4Å; P170-L237 HydrophobicContact CB-CD2 3.9Å; P170-L237 HydrophobicContact CB-CG 4.01Å; P170-L237 HydrophobicContact CG-CD2 4.32Å |
| 171 | A | 78.1 | Confident | 70 | Confident | 49 Ų | 49 | 78.9 Ų | 78.9 | 41% | 0.405 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.3 | -36.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | E169 V174 R175 | E169-A171 PolarHBondContact O-N 2.96Å; A171-V174 PolarHBondContact O-N 3.08Å; A171-R175 PolarHBondContact O-N 2.89Å; A171-R175 VanDerWaalsContact O-N 3.07Å |
| 172 | D | 84.1 | Confident | 72.6 | Confident | 40 Ų | 40 | 73.5 Ų | 73.5 | 21% | 0.214 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -70.3 | -37.6 | 177.7 | -75.2 | -32 | 0 | 0 | 0 | 111.7 | E169 P170 R175 R176 | E169-D172 HydrophobicContact CB-CB 4.27Å; E169-D172 WeakPolarHBondContact O-CB 3.32Å; E169-D172 PolarHBondContact O-N 2.88Å; P170-D172 VanDerWaalsContact C-N 3.32Å; P170-D172 PolarHBondContact O-N 3.42Å; D172-R175 PolarHBondContact O-N 3.05Å; D172-R175 IonicContact OD1-CZ 3.67Å; D172-R175 IonicContact OD1-NE 2.6Å; D172-R175 IonicContact OD1-NH2 2.67Å; D172-R175 PolarHBondContact OD1-NH2 3Å; D172-R176 VanDerWaalsContact O-CG 3.29Å; D172-R176 WeakPolarHBondContact O-CG 3.46Å; D172-R176 PolarHBondContact O-N 3.44Å |
| 173 | V | 84.7 | Confident | 75 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 9% | 0.085 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 175.6 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | E169 P170 R175 R176 A177 E206 L210 | E169-V173 PolarHBondContact O-N 3.15Å; P170-V173 PolarHBondContact O-N 3.48Å; V173-R175 VanDerWaalsContact C-N 3.34Å; V173-R175 PolarHBondContact O-N 3.23Å; V173-R176 PolarHBondContact O-N 3.15Å; V173-A177 WeakPolarHBondContact O-CB 3.42Å; V173-A177 PolarHBondContact O-N 2.92Å; V173-E206 HydrophobicContact CG1-CB 4.08Å; V173-E206 WeakPolarHBondContact CG1-O 3.39Å; V173-L210 HydrophobicContact CB-CD1 3.34Å; V173-L210 HydrophobicContact CG1-CB 3.79Å; V173-L210 HydrophobicContact CG1-CD1 3.45Å; V173-L210 VanDerWaalsContact CG1-CD1 3.45Å; V173-L210 HydrophobicContact CG1-CG 4.22Å; V173-L210 HydrophobicContact CG2-CD1 3.99Å |
| 174 | V | 85.9 | Confident | 77.4 | Confident | 12 Ų | 12 | 62 Ų | 62 | 7% | 0.073 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57 | -50.1 | 174.6 | 178.8 | 0 | 0 | 0 | 0 | 110.1 | P170 A171 R176 A177 L178 L210 L237 M245 | P170-V174 WeakPolarHBondContact O-CG2 3.49Å; P170-V174 PolarHBondContact O-N 3.16Å; A171-V174 PolarHBondContact O-N 3.08Å; V174-R176 PolarHBondContact O-N 2.96Å; V174-A177 PolarHBondContact O-N 3.41Å; V174-L178 HydrophobicContact CG1-CD1 4.21Å; V174-L178 WeakPolarHBondContact O-CG 3.43Å; V174-L178 PolarHBondContact O-N 2.91Å; V174-L178 VanDerWaalsContact O-N 3.1Å; V174-L210 HydrophobicContact CG2-CD1 4.17Å; V174-L237 HydrophobicContact CG2-CD1 3.71Å; V174-L237 HydrophobicContact CG2-CD2 3.81Å; V174-L237 HydrophobicContact CG2-CG 4.47Å; V174-M245 HydrophobicContact CB-CG 4.49Å; V174-M245 HydrophobicContact CB-SD 4.13Å; V174-M245 HydrophobicContact CG1-CG 3.92Å; V174-M245 HydrophobicContact CG1-SD 4.18Å; V174-M245 HydrophobicContact CG2-CE 4.47Å; V174-M245 HydrophobicContact CG2-CG 4.17Å; V174-M245 HydrophobicContact CG2-SD 3.31Å; V174-M245 WeakPolarHBondContact CG2-SD 3.36Å |
| 175 | R | 89.3 | Confident | 80.2 | Confident | 148 Ų | 148 | 55.8 Ų | 55.8 | 56% | 0.558 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57.5 | -49.6 | 177.9 | -179.6 | 172.1 | 55.6 | 176 | -1.1 | 111.4 | A171 D172 V173 A177 L178 D179 | A171-R175 PolarHBondContact O-N 2.89Å; A171-R175 VanDerWaalsContact O-N 3.07Å; D172-R175 PolarHBondContact O-N 3.05Å; D172-R175 IonicContact OD1-CZ 3.67Å; D172-R175 IonicContact OD1-NE 2.6Å; D172-R175 IonicContact OD1-NH2 2.67Å; D172-R175 PolarHBondContact OD1-NH2 3Å; V173-R175 VanDerWaalsContact C-N 3.34Å; V173-R175 PolarHBondContact O-N 3.23Å; R175-A177 VanDerWaalsContact C-N 3.33Å; R175-A177 PolarHBondContact O-N 3.35Å; R175-L178 PolarHBondContact O-N 3.03Å; R175-L178 VanDerWaalsContact O-N 3.16Å; R175-D179 PolarHBondContact O-N 3.28Å |
| 176 | R | 90.8 | Very high | 82.8 | Confident | 48 Ų | 48 | 56.3 Ų | 56.3 | 18% | 0.181 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.8 | -41.4 | 177.8 | -73.7 | -170.8 | -51.9 | -100.4 | 10.8 | 112.9 | H167 D172 V173 V174 L178 D179 F180 E206 | H167-R176 PolarHBondContact O-NH2 3.23Å; D172-R176 VanDerWaalsContact O-CG 3.29Å; D172-R176 WeakPolarHBondContact O-CG 3.46Å; D172-R176 PolarHBondContact O-N 3.44Å; V173-R176 PolarHBondContact O-N 3.15Å; V174-R176 PolarHBondContact O-N 2.96Å; R176-L178 VanDerWaalsContact C-N 3.33Å; R176-L178 PolarHBondContact O-N 3.5Å; R176-D179 PolarHBondContact O-N 3.41Å; R176-F180 HydrophobicContact CB-CE2 4.41Å; R176-F180 WeakPolarHBondContact O-CD2 3.41Å; R176-F180 PolarHBondContact O-N 3.39Å; R176-E206 IonicContact CZ-OE2 3.11Å; R176-E206 IonicContact NE-OE1 2.66Å; R176-E206 IonicContact NE-OE2 3.54Å; R176-E206 PolarHBondContact NE-OE2 2.82Å; R176-E206 VanDerWaalsContact NE-OE2 3.11Å; R176-E206 IonicContact NH2-OE2 3.84Å; R176-E206 PolarHBondContact NH2-OE2 3.06Å |
| 177 | A | 91.4 | Very high | 85.1 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V173 V174 R175 F180 K181 A203 E206 I207 | V173-A177 WeakPolarHBondContact O-CB 3.42Å; V173-A177 PolarHBondContact O-N 2.92Å; V174-A177 PolarHBondContact O-N 3.41Å; R175-A177 VanDerWaalsContact C-N 3.33Å; R175-A177 PolarHBondContact O-N 3.35Å; A177-F180 PolarHBondContact O-N 3.33Å; A177-K181 PolarHBondContact O-N 2.92Å; A177-A203 WeakPolarHBondContact O-CB 3.4Å; A177-E206 HydrophobicContact CB-CB 3.96Å; A177-I207 HydrophobicContact CB-CD1 4.38Å; A177-I207 HydrophobicContact CB-CG1 3.71Å |
| 178 | L | 92.1 | Very high | 87.1 | Confident | 60 Ų | 60 | 49.9 Ų | 49.9 | 31% | 0.314 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.8 | -35.6 | 177.9 | -64.2 | 177.8 | 0 | 0 | 0 | 112.4 | V174 R175 R176 K181 S182 A248 | V174-L178 HydrophobicContact CG1-CD1 4.21Å; V174-L178 WeakPolarHBondContact O-CG 3.43Å; V174-L178 PolarHBondContact O-N 2.91Å; V174-L178 VanDerWaalsContact O-N 3.1Å; R175-L178 PolarHBondContact O-N 3.03Å; R175-L178 VanDerWaalsContact O-N 3.16Å; R176-L178 VanDerWaalsContact C-N 3.33Å; R176-L178 PolarHBondContact O-N 3.5Å; L178-K181 PolarHBondContact O-N 3.35Å; L178-S182 WeakPolarHBondContact O-CB 3.23Å; L178-S182 PolarHBondContact O-N 3.49Å; L178-S182 PolarHBondContact O-OG 2.94Å; L178-A248 HydrophobicContact CD2-CB 3.7Å |
| 179 | D | 93.4 | Very high | 88.7 | Confident | 82 Ų | 82 | 48 Ų | 48 | 44% | 0.439 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63 | -48.8 | 174.1 | -67 | -23.5 | 0 | 0 | 0 | 110.5 | R175 R176 K181 S182 E183 | R175-D179 PolarHBondContact O-N 3.28Å; R176-D179 PolarHBondContact O-N 3.41Å; D179-K181 VanDerWaalsContact C-N 3.32Å; D179-K181 PolarHBondContact O-N 3.03Å; D179-S182 WeakPolarHBondContact O-CB 3.4Å; D179-S182 PolarHBondContact O-N 3.42Å; D179-E183 WeakPolarHBondContact O-CG 3.45Å; D179-E183 PolarHBondContact O-N 3.18Å |
| 180 | F | 94.9 | Very high | 89.5 | Confident | 22 Ų | 22 | 47.5 Ų | 47.5 | 10% | 0.096 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -37.4 | 176.7 | -74.2 | -49.5 | 0 | 0 | 0 | 113.1 | R176 A177 S182 G184 K199 R202 A203 E206 | R176-F180 HydrophobicContact CB-CE2 4.41Å; R176-F180 WeakPolarHBondContact O-CD2 3.41Å; R176-F180 PolarHBondContact O-N 3.39Å; A177-F180 PolarHBondContact O-N 3.33Å; F180-S182 VanDerWaalsContact C-N 3.34Å; F180-G184 PolarHBondContact O-N 3.03Å; F180-K199 HydrophobicContact CD1-CD 4.18Å; F180-R202 HydrophobicContact CD1-CB 4.43Å; F180-R202 HydrophobicContact CD1-CG 4.32Å; F180-R202 HydrophobicContact CD2-CB 4.27Å; F180-R202 HydrophobicContact CD2-CG 3.83Å; F180-R202 HydrophobicContact CE1-CG 4.19Å; F180-R202 HydrophobicContact CE2-CG 3.66Å; F180-R202 HydrophobicContact CG-CB 4.24Å; F180-R202 HydrophobicContact CG-CG 4.19Å; F180-R202 HydrophobicContact CZ-CG 3.87Å; F180-A203 HydrophobicContact CB-CB 3.7Å; F180-E206 HydrophobicContact CD2-CG 4.16Å; F180-E206 HydrophobicContact CE2-CG 4.17Å |
| 181 | K | 93.3 | Very high | 90.2 | Very high | 43 Ų | 43 | 50.7 Ų | 50.7 | 19% | 0.187 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 172.4 | 176.7 | -141.6 | 171.7 | 178.5 | 0 | 111.1 | A177 L178 D179 G184 T185 Y200 E251 | A177-K181 PolarHBondContact O-N 2.92Å; L178-K181 PolarHBondContact O-N 3.35Å; D179-K181 VanDerWaalsContact C-N 3.32Å; D179-K181 PolarHBondContact O-N 3.03Å; K181-G184 PolarHBondContact O-N 3.37Å; K181-T185 PolarHBondContact O-N 3.15Å; K181-T185 PolarHBondContact O-OG1 3.19Å; K181-Y200 WeakPolarHBondContact O-CE1 3.45Å; K181-E251 WeakPolarHBondContact CE-OE2 3.49Å; K181-E251 IonicContact NZ-OE1 2.66Å; K181-E251 IonicContact NZ-OE2 3.06Å; K181-E251 PolarHBondContact NZ-OE2 3.15Å |
| 182 | S | 93.7 | Very high | 90.8 | Very high | 71 Ų | 71 | 53.2 Ų | 53.2 | 50% | 0.497 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.7 | -45 | -179.5 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | L178 D179 F180 G184 T185 Q186 | L178-S182 WeakPolarHBondContact O-CB 3.23Å; L178-S182 PolarHBondContact O-N 3.49Å; L178-S182 PolarHBondContact O-OG 2.94Å; D179-S182 WeakPolarHBondContact O-CB 3.4Å; D179-S182 PolarHBondContact O-N 3.42Å; F180-S182 VanDerWaalsContact C-N 3.34Å; S182-G184 PolarHBondContact O-N 3.15Å; S182-T185 WeakPolarHBondContact O-CB 3.5Å; S182-T185 PolarHBondContact O-N 3.16Å; S182-T185 VanDerWaalsContact O-N 3.15Å; S182-Q186 PolarHBondContact O-N 3.15Å |
| 183 | E | 94.8 | Very high | 91 | Very high | 78 Ų | 78 | 52.6 Ų | 52.6 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 173.2 | -71.9 | 179.7 | -172.4 | 0 | 0 | 112.2 | D179 T185 Q186 C187 K199 | D179-E183 WeakPolarHBondContact O-CG 3.45Å; D179-E183 PolarHBondContact O-N 3.18Å; E183-T185 VanDerWaalsContact C-N 3.27Å; E183-T185 PolarHBondContact O-N 3.43Å; E183-Q186 PolarHBondContact O-N 3.26Å; E183-C187 PolarHBondContact O-N 3.26Å; E183-C187 PolarHBondContact O-SG 3.41Å; E183-K199 HydrophobicContact CB-CD 4.36Å; E183-K199 HydrophobicContact CB-CG 4.48Å; E183-K199 WeakPolarHBondContact OE2-CD 3.44Å; E183-K199 VanDerWaalsContact OE2-CE 3.31Å; E183-K199 WeakPolarHBondContact OE2-CE 3.4Å; E183-K199 IonicContact OE2-NZ 2.71Å; E183-K199 PolarHBondContact OE2-NZ 3.2Å |
| 184 | G | 93.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F180 K181 S182 C187 Y188 A196 Y200 | F180-G184 PolarHBondContact O-N 3.03Å; K181-G184 PolarHBondContact O-N 3.37Å; S182-G184 PolarHBondContact O-N 3.15Å; G184-C187 PolarHBondContact O-N 3.25Å; G184-Y188 PolarHBondContact O-N 3.07Å; G184-A196 WeakPolarHBondContact O-CB 3.24Å; G184-Y200 VanDerWaalsContact C-OH 3.31Å; G184-Y200 PolarHBondContact O-OH 3.08Å |
| 185 | T | 92 | Very high | 91.6 | Very high | 28 Ų | 28 | 65.6 Ų | 65.6 | 17% | 0.172 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68 | -37.7 | 177 | -55 | 0 | 0 | 0 | 0 | 111.8 | L4 K181 S182 E183 Y188 K189 Y200 | L4-T185 HydrophobicContact CD1-CG2 4Å; L4-T185 HydrophobicContact CD2-CG2 4.49Å; K181-T185 PolarHBondContact O-N 3.15Å; K181-T185 PolarHBondContact O-OG1 3.19Å; S182-T185 WeakPolarHBondContact O-CB 3.5Å; S182-T185 PolarHBondContact O-N 3.16Å; S182-T185 VanDerWaalsContact O-N 3.15Å; E183-T185 VanDerWaalsContact C-N 3.27Å; E183-T185 PolarHBondContact O-N 3.43Å; T185-Y188 PolarHBondContact O-N 3.46Å; T185-K189 WeakPolarHBondContact O-CG 3.35Å; T185-K189 PolarHBondContact O-N 3.01Å; T185-K189 VanDerWaalsContact O-N 3.15Å; T185-Y200 WeakPolarHBondContact CA-OH 3.44Å; T185-Y200 PolarHBondContact N-OH 2.96Å; T185-Y200 VanDerWaalsContact N-OH 3.13Å; T185-Y200 PolarHBondContact OG1-OH 3.01Å; T185-Y200 VanDerWaalsContact OG1-OH 3.06Å |
| 186 | Q | 94 | Very high | 91.8 | Very high | 91 Ų | 91 | 58.6 Ų | 58.6 | 43% | 0.425 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.7 | -47.8 | 172.9 | -171.8 | 56 | 40 | 0 | 0 | 111 | S182 E183 Y188 K189 D190 | S182-Q186 PolarHBondContact O-N 3.15Å; E183-Q186 PolarHBondContact O-N 3.26Å; Q186-Y188 PolarHBondContact O-N 3.1Å; Q186-K189 WeakPolarHBondContact O-CB 3.33Å; Q186-K189 PolarHBondContact O-N 3.15Å; Q186-D190 PolarHBondContact NE2-OD1 3.39Å; Q186-D190 VanDerWaalsContact NE2-OD1 3.12Å; Q186-D190 VanDerWaalsContact O-CG 3.28Å; Q186-D190 PolarHBondContact O-N 3.43Å |
| 187 | C | 92.1 | Very high | 91.8 | Very high | 17 Ų | 17 | 57.5 Ų | 57.5 | 12% | 0.115 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.9 | -36.8 | 176.2 | -65.1 | 0 | 0 | 0 | 0 | 112.3 | E183 G184 D190 K191 K192 A196 | E183-C187 PolarHBondContact O-N 3.26Å; E183-C187 PolarHBondContact O-SG 3.41Å; G184-C187 PolarHBondContact O-N 3.25Å; C187-D190 CarbonylContact O-C 3.57Å; C187-D190 PolarHBondContact O-N 3.22Å; C187-K191 PolarHBondContact O-N 3.48Å; C187-K192 HydrophobicContact CB-CB 4.41Å; C187-K192 PolarHBondContact O-N 3.27Å; C187-A196 HydrophobicContact CB-CB 3.7Å |
| 188 | Y | 88.9 | Confident | 91.9 | Very high | 7 Ų | 7 | 59.4 Ų | 59.4 | 3% | 0.027 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 175.2 | -176.7 | -79.4 | 0 | 0 | 0 | 111.9 | L4 G184 T185 Q186 D190 K191 Y193 A258 C259 | L4-Y188 HydrophobicContact CB-CE1 4.39Å; L4-Y188 HydrophobicContact CD2-CD1 3.06Å; L4-Y188 HydrophobicContact CD2-CE1 3.39Å; L4-Y188 HydrophobicContact CD2-CG 3.97Å; L4-Y188 HydrophobicContact CG-CD1 4.47Å; G184-Y188 PolarHBondContact O-N 3.07Å; T185-Y188 PolarHBondContact O-N 3.46Å; Q186-Y188 PolarHBondContact O-N 3.1Å; Y188-D190 VanDerWaalsContact C-N 3.26Å; Y188-D190 PolarHBondContact O-N 3.46Å; Y188-K191 PolarHBondContact O-N 3Å; Y188-Y193 AromaticContact CD2-CD1 3.85Å; Y188-Y193 HydrophobicContact CD2-CD1 3.85Å; Y188-Y193 AromaticContact CD2-CE1 3.83Å; Y188-Y193 HydrophobicContact CD2-CE1 3.83Å; Y188-Y193 HydrophobicContact CE2-CD1 4.08Å; Y188-Y193 AromaticContact CE2-CE1 3.81Å; Y188-Y193 HydrophobicContact CE2-CE1 3.81Å; Y188-Y193 HydrophobicContact CG-CD1 4.47Å; Y188-Y193 HydrophobicContact CG-CE1 4.23Å; Y188-A258 HydrophobicContact CE2-CB 3.91Å; Y188-C259 VanDerWaalsContact CD2-SG 3.54Å |
| 189 | K | 90.2 | Very high | 92.1 | Very high | 92 Ų | 92 | 59.6 Ų | 59.6 | 40% | 0.4 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.4 | -37.9 | 176.8 | -69 | 173.6 | -176.8 | 175.3 | 0 | 111.5 | L4 L7 T185 Q186 K191 | L4-K189 HydrophobicContact CD2-CG 4.14Å; L7-K189 HydrophobicContact CD1-CB 4.33Å; L7-K189 HydrophobicContact CD1-CG 4.15Å; T185-K189 WeakPolarHBondContact O-CG 3.35Å; T185-K189 PolarHBondContact O-N 3.01Å; T185-K189 VanDerWaalsContact O-N 3.15Å; Q186-K189 WeakPolarHBondContact O-CB 3.33Å; Q186-K189 PolarHBondContact O-N 3.15Å; K189-K191 PolarHBondContact O-N 3.43Å; K189-K191 VanDerWaalsContact O-N 3.16Å |
| 190 | D | 90.3 | Very high | 92.1 | Very high | 85 Ų | 85 | 55.7 Ų | 55.7 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 4.4 | 176.4 | -57.5 | -22.4 | 0 | 0 | 0 | 112.9 | Q186 C187 Y188 K192 | Q186-D190 PolarHBondContact NE2-OD1 3.39Å; Q186-D190 VanDerWaalsContact NE2-OD1 3.12Å; Q186-D190 VanDerWaalsContact O-CG 3.28Å; Q186-D190 PolarHBondContact O-N 3.43Å; C187-D190 CarbonylContact O-C 3.57Å; C187-D190 PolarHBondContact O-N 3.22Å; Y188-D190 VanDerWaalsContact C-N 3.26Å; Y188-D190 PolarHBondContact O-N 3.46Å; D190-K192 HydrophobicContact CB-CD 4.28Å; D190-K192 HydrophobicContact CB-CG 4.32Å; D190-K192 PolarHBondContact O-N 3.49Å; D190-K192 VanDerWaalsContact O-N 3.11Å |
| 191 | K | 88 | Confident | 92.1 | Very high | 75 Ų | 75 | 57.9 Ų | 57.9 | 33% | 0.326 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 15.9 | -176.9 | -52 | -173.4 | 178.6 | -149.5 | 0 | 114.3 | S11 C187 Y188 K189 Y193 | S11-K191 WeakPolarHBondContact OG-CD 3.45Å; S11-K191 WeakPolarHBondContact OG-CE 3.33Å; S11-K191 PolarHBondContact OG-NZ 3.07Å; C187-K191 PolarHBondContact O-N 3.48Å; Y188-K191 PolarHBondContact O-N 3Å; K189-K191 PolarHBondContact O-N 3.43Å; K189-K191 VanDerWaalsContact O-N 3.16Å; K191-Y193 HydrophobicContact CB-CE2 4.08Å; K191-Y193 WeakPolarHBondContact O-CD2 3.43Å; K191-Y193 PolarHBondContact O-N 3.47Å |
| 192 | K | 90.8 | Very high | 92.1 | Very high | 103 Ų | 103 | 62.3 Ų | 62.3 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | trans | -83.6 | 63.3 | 174.4 | -67.3 | 174.6 | 167.7 | -168.3 | 0 | 110.1 | C187 D190 R194 E195 A196 | C187-K192 HydrophobicContact CB-CB 4.41Å; C187-K192 PolarHBondContact O-N 3.27Å; D190-K192 HydrophobicContact CB-CD 4.28Å; D190-K192 HydrophobicContact CB-CG 4.32Å; D190-K192 PolarHBondContact O-N 3.49Å; D190-K192 VanDerWaalsContact O-N 3.11Å; K192-R194 VanDerWaalsContact C-N 3.27Å; K192-R194 PolarHBondContact O-N 3.33Å; K192-E195 HydrophobicContact CB-CB 4.28Å; K192-E195 WeakPolarHBondContact CD-OE1 3.34Å; K192-E195 IonicContact NZ-OE1 4Å; K192-E195 PolarHBondContact O-N 3.06Å; K192-E195 VanDerWaalsContact O-N 3.15Å; K192-A196 PolarHBondContact O-N 2.98Å | ||
| 193 | Y | 88.4 | Confident | 92.1 | Very high | 27 Ų | 27 | 59 Ų | 59 | 11% | 0.106 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.3 | -34.5 | -172.4 | -56.4 | -60.9 | 0 | 0 | 0 | 113.3 | S11 Y188 K191 A196 I197 Q262 | S11-Y193 WeakPolarHBondContact CB-OH 3.09Å; S11-Y193 PolarHBondContact OG-OH 3.1Å; Y188-Y193 AromaticContact CD2-CD1 3.85Å; Y188-Y193 HydrophobicContact CD2-CD1 3.85Å; Y188-Y193 AromaticContact CD2-CE1 3.83Å; Y188-Y193 HydrophobicContact CD2-CE1 3.83Å; Y188-Y193 HydrophobicContact CE2-CD1 4.08Å; Y188-Y193 AromaticContact CE2-CE1 3.81Å; Y188-Y193 HydrophobicContact CE2-CE1 3.81Å; Y188-Y193 HydrophobicContact CG-CD1 4.47Å; Y188-Y193 HydrophobicContact CG-CE1 4.23Å; K191-Y193 HydrophobicContact CB-CE2 4.08Å; K191-Y193 WeakPolarHBondContact O-CD2 3.43Å; K191-Y193 PolarHBondContact O-N 3.47Å; Y193-A196 PolarHBondContact O-N 3.24Å; Y193-I197 WeakPolarHBondContact O-CD1 3.14Å; Y193-I197 VanDerWaalsContact O-CG1 3.23Å; Y193-I197 WeakPolarHBondContact O-CG1 3.14Å; Y193-I197 PolarHBondContact O-N 3.48Å; Y193-Q262 HydrophobicContact CD1-CB 4.17Å; Y193-Q262 HydrophobicContact CD2-CB 3.93Å; Y193-Q262 HydrophobicContact CE1-CB 4.1Å; Y193-Q262 HydrophobicContact CE1-CG 4.2Å; Y193-Q262 HydrophobicContact CE2-CB 3.85Å; Y193-Q262 HydrophobicContact CE2-CG 4.49Å; Y193-Q262 HydrophobicContact CG-CB 4.1Å |
| 194 | R | 90.3 | Very high | 92 | Very high | 197 Ų | 197 | 55.6 Ų | 55.6 | 74% | 0.743 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.6 | -43.9 | 176.9 | -173.5 | -177.2 | -65.9 | -86.6 | 1.2 | 112.3 | K192 G198 | K192-R194 VanDerWaalsContact C-N 3.27Å; K192-R194 PolarHBondContact O-N 3.33Å; R194-G198 PolarHBondContact O-N 3.47Å |
| 195 | E | 92.1 | Very high | 91.8 | Very high | 102 Ų | 102 | 61.4 Ų | 61.4 | 48% | 0.477 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -70.8 | -41.3 | 177.8 | -66.4 | 176.7 | -119.8 | 0 | 0 | 110.7 | K192 I197 G198 K199 | K192-E195 HydrophobicContact CB-CB 4.28Å; K192-E195 WeakPolarHBondContact CD-OE1 3.34Å; K192-E195 IonicContact NZ-OE1 4Å; K192-E195 PolarHBondContact O-N 3.06Å; K192-E195 VanDerWaalsContact O-N 3.15Å; E195-I197 VanDerWaalsContact C-N 3.32Å; E195-I197 PolarHBondContact O-N 3.35Å; E195-G198 PolarHBondContact O-N 3.09Å; E195-G198 VanDerWaalsContact O-N 3.11Å; E195-K199 WeakPolarHBondContact O-CG 3.28Å; E195-K199 PolarHBondContact O-N 3.44Å |
| 196 | A | 92.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.2 | -46.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G184 C187 K192 Y193 G198 K199 Y200 | G184-A196 WeakPolarHBondContact O-CB 3.24Å; C187-A196 HydrophobicContact CB-CB 3.7Å; K192-A196 PolarHBondContact O-N 2.98Å; Y193-A196 PolarHBondContact O-N 3.24Å; A196-G198 VanDerWaalsContact C-N 3.33Å; A196-G198 PolarHBondContact O-N 3.38Å; A196-K199 PolarHBondContact O-N 3.11Å; A196-Y200 HydrophobicContact CB-CD2 4.38Å; A196-Y200 HydrophobicContact CB-CE2 4.1Å; A196-Y200 WeakPolarHBondContact O-CD2 3.06Å; A196-Y200 PolarHBondContact O-N 3.03Å |
| 197 | I | 92.2 | Very high | 91.5 | Very high | 25 Ų | 25 | 57.8 Ų | 57.8 | 13% | 0.128 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.8 | -46.7 | 176.6 | -72 | 164 | 0 | 0 | 0 | 111.2 | Y193 E195 K199 Y200 H201 L256 C259 L260 M263 | Y193-I197 WeakPolarHBondContact O-CD1 3.14Å; Y193-I197 VanDerWaalsContact O-CG1 3.23Å; Y193-I197 WeakPolarHBondContact O-CG1 3.14Å; Y193-I197 PolarHBondContact O-N 3.48Å; E195-I197 VanDerWaalsContact C-N 3.32Å; E195-I197 PolarHBondContact O-N 3.35Å; I197-K199 VanDerWaalsContact C-N 3.34Å; I197-K199 PolarHBondContact O-N 3.4Å; I197-Y200 PolarHBondContact O-N 3.24Å; I197-H201 PolarHBondContact O-CD2 3.34Å; I197-H201 PolarHBondContact O-N 3.17Å; I197-L256 HydrophobicContact CB-CD2 4.12Å; I197-L256 HydrophobicContact CG1-CD2 4.08Å; I197-L256 HydrophobicContact CG2-CD2 3.93Å; I197-C259 HydrophobicContact CD1-CB 3.88Å; I197-C259 HydrophobicContact CG1-CB 3.53Å; I197-L260 HydrophobicContact CD1-CD2 4.11Å; I197-M263 HydrophobicContact CD1-CG 4.31Å; I197-M263 HydrophobicContact CD1-SD 3.4Å; I197-M263 WeakPolarHBondContact CD1-SD 3.41Å |
| 198 | G | 93.8 | Very high | 91.3 | Very high | 42 Ų | 42 | 61.1 Ų | 61.1 | 43% | 0.433 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R194 E195 A196 H201 R202 | R194-G198 PolarHBondContact O-N 3.47Å; E195-G198 PolarHBondContact O-N 3.09Å; E195-G198 VanDerWaalsContact O-N 3.11Å; A196-G198 VanDerWaalsContact C-N 3.33Å; A196-G198 PolarHBondContact O-N 3.38Å; G198-H201 PolarHBondContact O-N 3.01Å; G198-R202 PolarHBondContact O-N 3.36Å |
| 199 | K | 94.9 | Very high | 91 | Very high | 64 Ų | 64 | 62.3 Ų | 62.3 | 28% | 0.278 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.3 | -45.3 | 178.6 | -65.5 | -67.2 | -173.3 | 161 | 0 | 112.3 | F180 E183 E195 A196 I197 H201 R202 A203 | F180-K199 HydrophobicContact CD1-CD 4.18Å; E183-K199 HydrophobicContact CB-CD 4.36Å; E183-K199 HydrophobicContact CB-CG 4.48Å; E183-K199 WeakPolarHBondContact OE2-CD 3.44Å; E183-K199 VanDerWaalsContact OE2-CE 3.31Å; E183-K199 WeakPolarHBondContact OE2-CE 3.4Å; E183-K199 IonicContact OE2-NZ 2.71Å; E183-K199 PolarHBondContact OE2-NZ 3.2Å; E195-K199 WeakPolarHBondContact O-CG 3.28Å; E195-K199 PolarHBondContact O-N 3.44Å; A196-K199 PolarHBondContact O-N 3.11Å; I197-K199 VanDerWaalsContact C-N 3.34Å; I197-K199 PolarHBondContact O-N 3.4Å; K199-H201 VanDerWaalsContact C-N 3.33Å; K199-H201 PolarHBondContact O-N 3.39Å; K199-R202 WeakPolarHBondContact O-CB 3.05Å; K199-R202 PolarHBondContact O-N 2.99Å; K199-R202 VanDerWaalsContact O-N 3.15Å; K199-A203 PolarHBondContact O-N 3.14Å |
| 200 | Y | 94.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 175.6 | -69.5 | -55.1 | 0 | 0 | 0 | 112.5 | K181 G184 T185 A196 I197 R202 A203 L204 C252 S255 L256 | K181-Y200 WeakPolarHBondContact O-CE1 3.45Å; G184-Y200 VanDerWaalsContact C-OH 3.31Å; G184-Y200 PolarHBondContact O-OH 3.08Å; T185-Y200 WeakPolarHBondContact CA-OH 3.44Å; T185-Y200 PolarHBondContact N-OH 2.96Å; T185-Y200 VanDerWaalsContact N-OH 3.13Å; T185-Y200 PolarHBondContact OG1-OH 3.01Å; T185-Y200 VanDerWaalsContact OG1-OH 3.06Å; A196-Y200 HydrophobicContact CB-CD2 4.38Å; A196-Y200 HydrophobicContact CB-CE2 4.1Å; A196-Y200 WeakPolarHBondContact O-CD2 3.06Å; A196-Y200 PolarHBondContact O-N 3.03Å; I197-Y200 PolarHBondContact O-N 3.24Å; Y200-R202 VanDerWaalsContact C-N 3.33Å; Y200-R202 PolarHBondContact O-N 3.46Å; Y200-A203 WeakPolarHBondContact O-CB 3.38Å; Y200-A203 PolarHBondContact O-N 2.9Å; Y200-L204 WeakPolarHBondContact O-CG 3.42Å; Y200-L204 PolarHBondContact O-N 3.41Å; Y200-C252 HydrophobicContact CD1-CB 4.41Å; Y200-S255 WeakPolarHBondContact OH-CB 3.17Å; Y200-L256 HydrophobicContact CD2-CD2 4.35Å; Y200-L256 HydrophobicContact CD2-CG 4.38Å; Y200-L256 HydrophobicContact CG-CG 4.3Å |
| 201 | H | 94.1 | Very high | 89.3 | Confident | 67 Ų | 67 | 57.9 Ų | 57.9 | 31% | 0.31 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 173.1 | -81.2 | -55.8 | 0 | 0 | 0 | 112.4 | I197 G198 K199 A203 L204 L205 | I197-H201 PolarHBondContact O-CD2 3.34Å; I197-H201 PolarHBondContact O-N 3.17Å; G198-H201 PolarHBondContact O-N 3.01Å; K199-H201 VanDerWaalsContact C-N 3.33Å; K199-H201 PolarHBondContact O-N 3.39Å; H201-A203 VanDerWaalsContact C-N 3.33Å; H201-A203 PolarHBondContact O-N 3.22Å; H201-L204 PolarHBondContact O-N 3.5Å; H201-L205 WeakPolarHBondContact O-CG 3.3Å; H201-L205 PolarHBondContact O-N 3.35Å |
| 202 | R | 93.3 | Very high | 88.4 | Confident | 137 Ų | 137 | 64.6 Ų | 64.6 | 52% | 0.517 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 176.2 | -163.8 | 168.1 | -179.9 | 176.2 | -2.3 | 111.9 | F180 G198 K199 Y200 L205 E206 | F180-R202 HydrophobicContact CD1-CB 4.43Å; F180-R202 HydrophobicContact CD1-CG 4.32Å; F180-R202 HydrophobicContact CD2-CB 4.27Å; F180-R202 HydrophobicContact CD2-CG 3.83Å; F180-R202 HydrophobicContact CE1-CG 4.19Å; F180-R202 HydrophobicContact CE2-CG 3.66Å; F180-R202 HydrophobicContact CG-CB 4.24Å; F180-R202 HydrophobicContact CG-CG 4.19Å; F180-R202 HydrophobicContact CZ-CG 3.87Å; G198-R202 PolarHBondContact O-N 3.36Å; K199-R202 WeakPolarHBondContact O-CB 3.05Å; K199-R202 PolarHBondContact O-N 2.99Å; K199-R202 VanDerWaalsContact O-N 3.15Å; Y200-R202 VanDerWaalsContact C-N 3.33Å; Y200-R202 PolarHBondContact O-N 3.46Å; R202-L205 PolarHBondContact O-N 3.46Å; R202-E206 WeakPolarHBondContact O-CG 3.35Å; R202-E206 PolarHBondContact O-N 3.4Å; R202-E206 VanDerWaalsContact O-N 3.14Å |
| 203 | A | 93.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.8 | -48.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A177 F180 K199 Y200 H201 L205 E206 I207 | A177-A203 WeakPolarHBondContact O-CB 3.4Å; F180-A203 HydrophobicContact CB-CB 3.7Å; K199-A203 PolarHBondContact O-N 3.14Å; Y200-A203 WeakPolarHBondContact O-CB 3.38Å; Y200-A203 PolarHBondContact O-N 2.9Å; H201-A203 VanDerWaalsContact C-N 3.33Å; H201-A203 PolarHBondContact O-N 3.22Å; A203-L205 VanDerWaalsContact C-N 3.28Å; A203-L205 PolarHBondContact O-N 3.14Å; A203-E206 PolarHBondContact O-N 2.92Å; A203-I207 WeakPolarHBondContact O-CG1 3.28Å; A203-I207 PolarHBondContact O-N 3.37Å |
| 204 | L | 91.8 | Very high | 85.8 | Confident | 7 Ų | 7 | 67.6 Ų | 67.6 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62 | -33.5 | 178.4 | -70.6 | 176.1 | 0 | 0 | 0 | 113.1 | Y200 H201 K208 E249 C252 Y253 L256 | Y200-L204 WeakPolarHBondContact O-CG 3.42Å; Y200-L204 PolarHBondContact O-N 3.41Å; H201-L204 PolarHBondContact O-N 3.5Å; L204-K208 WeakPolarHBondContact O-CB 3.23Å; L204-K208 VanDerWaalsContact O-CG 3.31Å; L204-K208 WeakPolarHBondContact O-CG 3.31Å; L204-K208 PolarHBondContact O-N 3.16Å; L204-E249 HydrophobicContact CD2-CB 4.34Å; L204-E249 HydrophobicContact CD2-CG 3.36Å; L204-C252 HydrophobicContact CD2-CB 3.73Å; L204-C252 HydrophobicContact CG-CB 3.96Å; L204-Y253 HydrophobicContact CD1-CD1 3.93Å; L204-Y253 HydrophobicContact CD1-CE1 3.57Å; L204-Y253 HydrophobicContact CD2-CE1 4.2Å; L204-Y253 HydrophobicContact CD2-CE2 4.13Å; L204-L256 HydrophobicContact CD1-CD1 3.56Å |
| 205 | L | 90.8 | Very high | 83.9 | Confident | 123 Ų | 123 | 60.7 Ų | 60.7 | 64% | 0.644 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -69 | -41.1 | 176.6 | -72.5 | 172 | 0 | 0 | 0 | 111.8 | H201 R202 A203 G209 | H201-L205 WeakPolarHBondContact O-CG 3.3Å; H201-L205 PolarHBondContact O-N 3.35Å; R202-L205 PolarHBondContact O-N 3.46Å; A203-L205 VanDerWaalsContact C-N 3.28Å; A203-L205 PolarHBondContact O-N 3.14Å; L205-G209 WeakPolarHBondContact O-CA 3.41Å; L205-G209 PolarHBondContact O-N 2.95Å |
| 206 | E | 89.3 | Confident | 81.3 | Confident | 39 Ų | 39 | 61.9 Ų | 61.9 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 174.5 | -63.2 | -77 | 163.1 | 0 | 0 | 110.6 | V173 R176 A177 F180 R202 A203 K208 G209 L210 | V173-E206 HydrophobicContact CG1-CB 4.08Å; V173-E206 WeakPolarHBondContact CG1-O 3.39Å; R176-E206 IonicContact CZ-OE2 3.11Å; R176-E206 IonicContact NE-OE1 2.66Å; R176-E206 IonicContact NE-OE2 3.54Å; R176-E206 PolarHBondContact NE-OE2 2.82Å; R176-E206 VanDerWaalsContact NE-OE2 3.11Å; R176-E206 IonicContact NH2-OE2 3.84Å; R176-E206 PolarHBondContact NH2-OE2 3.06Å; A177-E206 HydrophobicContact CB-CB 3.96Å; F180-E206 HydrophobicContact CD2-CG 4.16Å; F180-E206 HydrophobicContact CE2-CG 4.17Å; R202-E206 WeakPolarHBondContact O-CG 3.35Å; R202-E206 PolarHBondContact O-N 3.4Å; R202-E206 VanDerWaalsContact O-N 3.14Å; A203-E206 PolarHBondContact O-N 2.92Å; E206-K208 PolarHBondContact O-N 3.35Å; E206-G209 PolarHBondContact O-N 2.83Å; E206-L210 WeakPolarHBondContact O-CB 3.43Å; E206-L210 PolarHBondContact O-N 3.15Å |
| 207 | I | 88.9 | Confident | 79.3 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.015 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59 | -50.5 | 177.5 | -65.5 | 167.6 | 0 | 0 | 0 | 110.9 | A177 A203 L210 C211 M245 A248 E249 | A177-I207 HydrophobicContact CB-CD1 4.38Å; A177-I207 HydrophobicContact CB-CG1 3.71Å; A203-I207 WeakPolarHBondContact O-CG1 3.28Å; A203-I207 PolarHBondContact O-N 3.37Å; I207-L210 PolarHBondContact O-N 3.34Å; I207-C211 PolarHBondContact O-N 3.01Å; I207-C211 VanDerWaalsContact O-N 3.11Å; I207-C211 PolarHBondContact O-SG 3.13Å; I207-C211 VanDerWaalsContact O-SG 3.39Å; I207-M245 HydrophobicContact CB-CE 4.11Å; I207-M245 HydrophobicContact CG1-CE 4.07Å; I207-M245 HydrophobicContact CG2-CE 4.03Å; I207-A248 HydrophobicContact CD1-CB 4.35Å; I207-E249 HydrophobicContact CD1-CB 4.14Å; I207-E249 HydrophobicContact CD1-CG 4.45Å; I207-E249 HydrophobicContact CG2-CB 4.22Å; I207-E249 HydrophobicContact CG2-CG 4.2Å |
| 208 | K | 87.6 | Confident | 76.8 | Confident | 87 Ų | 87 | 72 Ų | 72 | 38% | 0.378 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -70.2 | -34.8 | -179.7 | -72.8 | 173.4 | -179.8 | 175.1 | 0 | 113.3 | L204 E206 L210 C211 R212 E249 Y253 | L204-K208 WeakPolarHBondContact O-CB 3.23Å; L204-K208 VanDerWaalsContact O-CG 3.31Å; L204-K208 WeakPolarHBondContact O-CG 3.31Å; L204-K208 PolarHBondContact O-N 3.16Å; E206-K208 PolarHBondContact O-N 3.35Å; K208-L210 VanDerWaalsContact C-N 3.29Å; K208-C211 PolarHBondContact O-N 2.76Å; K208-R212 PolarHBondContact O-N 3.24Å; K208-E249 WeakPolarHBondContact CE-OE1 3.45Å; K208-Y253 WeakPolarHBondContact CE-OH 3.31Å; K208-Y253 PolarHBondContact NZ-OH 3.1Å |
| 209 | G | 83.1 | Confident | 74.8 | Confident | 33 Ų | 33 | 76.1 Ų | 76.1 | 34% | 0.34 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | L205 E206 R212 V213 | L205-G209 WeakPolarHBondContact O-CA 3.41Å; L205-G209 PolarHBondContact O-N 2.95Å; E206-G209 PolarHBondContact O-N 2.83Å; G209-R212 WeakPolarHBondContact O-CB 3.43Å; G209-R212 PolarHBondContact O-N 3.42Å; G209-V213 WeakPolarHBondContact O-CG2 3.46Å; G209-V213 PolarHBondContact O-N 2.94Å; G209-V213 VanDerWaalsContact O-N 3.08Å |
| 210 | L | 76.6 | Confident | 71.8 | Confident | 5 Ų | 5 | 75.1 Ų | 75.1 | 3% | 0.026 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 177.1 | -165.1 | 133.8 | 0 | 0 | 0 | 113.3 | P170 V173 V174 E206 I207 K208 R212 V213 L214 L237 M245 | P170-L210 HydrophobicContact CB-CD1 3.81Å; P170-L210 HydrophobicContact CB-CG 4.49Å; P170-L210 WeakPolarHBondContact O-CD1 3.38Å; V173-L210 HydrophobicContact CB-CD1 3.34Å; V173-L210 HydrophobicContact CG1-CB 3.79Å; V173-L210 HydrophobicContact CG1-CD1 3.45Å; V173-L210 VanDerWaalsContact CG1-CD1 3.45Å; V173-L210 HydrophobicContact CG1-CG 4.22Å; V173-L210 HydrophobicContact CG2-CD1 3.99Å; V174-L210 HydrophobicContact CG2-CD1 4.17Å; E206-L210 WeakPolarHBondContact O-CB 3.43Å; E206-L210 PolarHBondContact O-N 3.15Å; I207-L210 PolarHBondContact O-N 3.34Å; K208-L210 VanDerWaalsContact C-N 3.29Å; L210-R212 PolarHBondContact O-N 2.85Å; L210-V213 PolarHBondContact O-N 2.9Å; L210-V213 VanDerWaalsContact O-N 3.1Å; L210-L214 HydrophobicContact CD2-CD1 3.41Å; L210-L214 VanDerWaalsContact CD2-CD1 3.41Å; L210-L214 HydrophobicContact CD2-CG 3.9Å; L210-L214 HydrophobicContact CG-CD1 4.33Å; L210-L214 HydrophobicContact CG-CG 4.37Å; L210-L214 PolarHBondContact O-N 3.46Å; L210-L237 HydrophobicContact CD1-CD1 4.21Å; L210-L237 HydrophobicContact CD2-CD1 3.32Å; L210-L237 HydrophobicContact CG-CD1 4.36Å; L210-M245 HydrophobicContact CB-CE 3.92Å; L210-M245 HydrophobicContact CD1-CE 4.35Å; L210-M245 HydrophobicContact CD2-CE 3.8Å; L210-M245 HydrophobicContact CD2-SD 3.83Å; L210-M245 HydrophobicContact CG-CE 4.23Å |
| 211 | C | 68.4 | Low | 70.2 | Confident | 78 Ų | 78 | 80.7 Ų | 80.7 | 53% | 0.527 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59 | -29.7 | 173.5 | -69.1 | 0 | 0 | 0 | 0 | 112.7 | I207 K208 G215 | I207-C211 PolarHBondContact O-N 3.01Å; I207-C211 VanDerWaalsContact O-N 3.11Å; I207-C211 PolarHBondContact O-SG 3.13Å; I207-C211 VanDerWaalsContact O-SG 3.39Å; K208-C211 PolarHBondContact O-N 2.76Å; C211-G215 PolarHBondContact O-N 3.3Å |
| 212 | R | 70.3 | Confident | 68 | Low | 216 Ų | 216 | 86.7 Ų | 86.7 | 82% | 0.815 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -76.8 | -38.4 | 173.7 | -68.1 | 179.2 | -179.5 | -136.2 | -0.5 | 112.5 | K208 G209 L210 L214 G215 | K208-R212 PolarHBondContact O-N 3.24Å; G209-R212 WeakPolarHBondContact O-CB 3.43Å; G209-R212 PolarHBondContact O-N 3.42Å; L210-R212 PolarHBondContact O-N 2.85Å; R212-L214 VanDerWaalsContact C-N 3.35Å; R212-G215 PolarHBondContact O-N 3.32Å |
| 213 | V | 62.1 | Low | 65.4 | Low | 116 Ų | 116 | 86.1 Ų | 86.1 | 70% | 0.703 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70 | -31.9 | 179.3 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | G209 L210 | G209-V213 WeakPolarHBondContact O-CG2 3.46Å; G209-V213 PolarHBondContact O-N 2.94Å; G209-V213 VanDerWaalsContact O-N 3.08Å; L210-V213 PolarHBondContact O-N 2.9Å; L210-V213 VanDerWaalsContact O-N 3.1Å |
| 214 | L | 62.2 | Low | 62.9 | Low | 78 Ų | 78 | 92.5 Ų | 92.5 | 41% | 0.408 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -91.1 | -3.3 | 175.8 | -64.4 | -171.9 | 0 | 0 | 0 | 114.2 | P170 L210 R212 D216 L237 | P170-L214 HydrophobicContact CB-CD2 4.38Å; L210-L214 HydrophobicContact CD2-CD1 3.41Å; L210-L214 VanDerWaalsContact CD2-CD1 3.41Å; L210-L214 HydrophobicContact CD2-CG 3.9Å; L210-L214 HydrophobicContact CG-CD1 4.33Å; L210-L214 HydrophobicContact CG-CG 4.37Å; L210-L214 PolarHBondContact O-N 3.46Å; R212-L214 VanDerWaalsContact C-N 3.35Å; L214-D216 PolarHBondContact O-N 2.75Å; L214-D216 VanDerWaalsContact O-N 3.14Å; L214-L237 HydrophobicContact CD1-CB 4.22Å; L214-L237 HydrophobicContact CD1-CD1 3.59Å; L214-L237 HydrophobicContact CD1-CG 3.8Å |
| 215 | G | 50.3 | Low | 60.5 | Low | 51 Ų | 51 | 97.4 Ų | 97.4 | 53% | 0.526 | 57% | 0.572 | S | S | . | * | trans | -87.3 | 71.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113 | C211 R212 | C211-G215 PolarHBondContact O-N 3.3Å; R212-G215 PolarHBondContact O-N 3.32Å | ||
| 216 | D | 37.4 | Very low | 57.9 | Low | 128 Ų | 128 | 97 Ų | 97 | 68% | 0.684 | 58% | 0.575 | S | S | * | * | trans | -157.6 | 109.6 | 148 | -150.1 | -44.5 | 0 | 0 | 0 | 112.3 | L214 D218 | L214-D216 PolarHBondContact O-N 2.75Å; L214-D216 VanDerWaalsContact O-N 3.14Å; D216-D218 WeakPolarHBondContact OD1-CA 3.45Å; D216-D218 VanDerWaalsContact OD1-CB 3.28Å; D216-D218 WeakPolarHBondContact OD1-CB 3.49Å; D216-D218 PolarHBondContact OD1-N 3.47Å | ||
| 217 | P | 50.4 | Low | 55.8 | Low | 123 Ų | 123 | 102.9 Ų | 102.9 | 80% | 0.799 | 61% | 0.606 | S | S | * | * | trans | -114.4 | 87.9 | 144.3 | 33.7 | -23.7 | 0 | 0 | 0 | 109.3 | P219 | P217-P219 WeakPolarHBondContact O-CD 3.04Š| ||
| 218 | D | 38.8 | Very low | 53.5 | Low | 113 Ų | 113 | 110.9 Ų | 110.9 | 60% | 0.604 | 65% | 0.648 | S | S | * | * | trans | -69.8 | 125.1 | 171 | -177 | 34.9 | 0 | 0 | 0 | 110.8 | D216 | D216-D218 WeakPolarHBondContact OD1-CA 3.45Å; D216-D218 VanDerWaalsContact OD1-CB 3.28Å; D216-D218 WeakPolarHBondContact OD1-CB 3.49Å; D216-D218 PolarHBondContact OD1-N 3.47Å | ||
| 219 | P | 52.2 | Low | 51.3 | Low | 129 Ų | 129 | 111.9 Ų | 111.9 | 84% | 0.838 | 66% | 0.664 | S | S | * | * | trans | -92.6 | 81.9 | 157.2 | 34.6 | -23.7 | 0 | 0 | 0 | 109.1 | P217 | P217-P219 WeakPolarHBondContact O-CD 3.04Š| ||
| 220 | G | 33 | Very low | 49.3 | Very low | 43 Ų | 43 | 116.5 Ų | 116.5 | 44% | 0.443 | 69% | 0.685 | S | S | . | * | trans | -172.3 | 134.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 221 | P | 61 | Low | 47.9 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | trans | -98.6 | 149.6 | -164.2 | 39.2 | -34.9 | 0 | 0 | 0 | 114.2 | ||||
| 222 | K | 46.9 | Very low | 46.6 | Very low | 193 Ų | 193 | 125.4 Ų | 125.4 | 84% | 0.839 | 74% | 0.735 | S | S | * | * | trans | 82.2 | 109.4 | 160 | -52.9 | 176.4 | -174.7 | 175.1 | 0 | 117.5 | ||||
| 223 | S | 39.8 | Very low | 45.3 | Very low | 125 Ų | 125 | 123.4 Ų | 123.4 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | -170.3 | 152.3 | 109 | -79.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 224 | T | 41 | Very low | 44.3 | Very low | 135 Ų | 135 | 122.8 Ų | 122.8 | 83% | 0.828 | 73% | 0.733 | S | S | * | * | trans | -96.5 | 156.4 | -151.4 | 45.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 225 | S | 39.6 | Very low | 43.6 | Very low | 109 Ų | 109 | 121.6 Ų | 121.6 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | trans | 84.1 | 129.6 | 153.8 | -138.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 226 | T | 37.1 | Very low | 44 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | cis | -159.6 | 127.3 | 34.8 | -56.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 227 | L | 44.6 | Very low | 45.2 | Very low | 162 Ų | 162 | 119 Ų | 119 | 85% | 0.848 | 71% | 0.71 | S | S | * | * | trans | 31.1 | 106.5 | 147.7 | -54.4 | 170.7 | 0 | 0 | 0 | 121.7 | ||||
| 228 | L | 40.2 | Very low | 46.4 | Very low | 172 Ų | 172 | 116.2 Ų | 116.2 | 90% | 0.901 | 69% | 0.691 | S | S | * | * | trans | -147.4 | 148.1 | 138.1 | -85.6 | 174.1 | 0 | 0 | 0 | 110.6 | ||||
| 229 | P | 42.3 | Very low | 48.3 | Very low | 108 Ų | 108 | 117.1 Ų | 117.1 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | trans | -89.5 | 135 | -164.6 | 0.2 | 20.2 | 0 | 0 | 0 | 113.8 | ||||
| 230 | T | 42.1 | Very low | 49.7 | Very low | 129 Ų | 129 | 117.6 Ų | 117.6 | 79% | 0.791 | 69% | 0.686 | S | S | * | * | trans | 55.3 | 70.8 | 143.3 | -23.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 231 | I | 46.6 | Very low | 52.1 | Low | 152 Ų | 152 | 118.8 Ų | 118.8 | 78% | 0.779 | 68% | 0.68 | S | S | * | * | trans | -128.4 | 72.7 | 149 | -55.6 | -179.8 | 0 | 0 | 0 | 108 | K233 | I231-K233 HydrophobicContact CG2-CB 4.33Å; I231-K233 PolarHBondContact O-N 3Å | ||
| 232 | S | 41 | Very low | 53.2 | Low | 118 Ų | 118 | 118.8 Ų | 118.8 | 83% | 0.825 | 67% | 0.668 | S | S | * | * | trans | -73.2 | 67.4 | 158.3 | -55.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 233 | K | 41.8 | Very low | 55 | Low | 175 Ų | 175 | 111.4 Ų | 111.4 | 76% | 0.761 | 65% | 0.647 | S | S | * | * | trans | -138.4 | 77.3 | 155.3 | -79 | -175.2 | -177.8 | 170.6 | 0 | 105.1 | I231 S235 | I231-K233 HydrophobicContact CG2-CB 4.33Å; I231-K233 PolarHBondContact O-N 3Å; K233-S235 PolarHBondContact O-N 2.86Å | ||
| 234 | S | 41.3 | Very low | 57.2 | Low | 102 Ų | 102 | 107.7 Ų | 107.7 | 71% | 0.713 | 62% | 0.624 | S | S | * | * | trans | -51.8 | 97.2 | 148.6 | 51.9 | 0 | 0 | 0 | 0 | 105.7 | T236 | S234-T236 PolarHBondContact O-N 3.25Å; S234-T236 PolarHBondContact O-OG1 3.46Å | ||
| 235 | S | 48.9 | Very low | 59.4 | Low | 54 Ų | 54 | 101.6 Ų | 101.6 | 38% | 0.378 | 59% | 0.587 | S | S | . | * | trans | -68.7 | 71.4 | 162.5 | 52.7 | 0 | 0 | 0 | 0 | 106 | P170 K233 L237 | P170-S235 VanDerWaalsContact CD-OG 3.32Å; P170-S235 WeakPolarHBondContact CD-OG 3.16Å; P170-S235 WeakPolarHBondContact CG-OG 3.43Å; K233-S235 PolarHBondContact O-N 2.86Å; S235-L237 PolarHBondContact O-N 2.69Å | ||
| 236 | T | 58.9 | Low | 61.7 | Low | 109 Ų | 109 | 99.9 Ų | 99.9 | 67% | 0.669 | 57% | 0.566 | S | S | * | * | trans | -58.8 | 106.6 | 168.4 | -36.6 | 0 | 0 | 0 | 0 | 103.8 | S234 T238 | S234-T236 PolarHBondContact O-N 3.25Å; S234-T236 PolarHBondContact O-OG1 3.46Å; T236-T238 PolarHBondContact O-N 3.22Å | ||
| 237 | L | 62.3 | Low | 64.2 | Low | 16 Ų | 16 | 97.6 Ų | 97.6 | 8% | 0.084 | 55% | 0.55 | C | S | . | . | trans | -50.8 | 135.9 | 169.7 | -74.2 | -173.8 | 0 | 0 | 0 | 107.4 | P170 V174 L210 L214 S235 Q241 M245 | P170-L237 HydrophobicContact CB-CD1 4.4Å; P170-L237 HydrophobicContact CB-CD2 3.9Å; P170-L237 HydrophobicContact CB-CG 4.01Å; P170-L237 HydrophobicContact CG-CD2 4.32Å; V174-L237 HydrophobicContact CG2-CD1 3.71Å; V174-L237 HydrophobicContact CG2-CD2 3.81Å; V174-L237 HydrophobicContact CG2-CG 4.47Å; L210-L237 HydrophobicContact CD1-CD1 4.21Å; L210-L237 HydrophobicContact CD2-CD1 3.32Å; L210-L237 HydrophobicContact CG-CD1 4.36Å; L214-L237 HydrophobicContact CD1-CB 4.22Å; L214-L237 HydrophobicContact CD1-CD1 3.59Å; L214-L237 HydrophobicContact CD1-CG 3.8Å; S235-L237 PolarHBondContact O-N 2.69Å; L237-Q241 HydrophobicContact CB-CB 4.24Å; L237-Q241 HydrophobicContact CD2-CB 4.41Å; L237-Q241 VanDerWaalsContact CD2-OE1 3.29Å; L237-M245 HydrophobicContact CD1-SD 3.94Å | ||
| 238 | T | 75.1 | Confident | 66.4 | Low | 64 Ų | 64 | 90 Ų | 90 | 39% | 0.393 | 51% | 0.51 | S | S | . | . | trans | -63.6 | 152 | 177.5 | 80.8 | 0 | 0 | 0 | 0 | 108.8 | T236 E240 Q241 K242 | T236-T238 PolarHBondContact O-N 3.22Å; T238-E240 WeakPolarHBondContact CB-OE2 3.38Å; T238-E240 PolarHBondContact O-N 2.9Å; T238-E240 VanDerWaalsContact O-N 3.12Å; T238-E240 PolarHBondContact OG1-OE2 3.24Å; T238-Q241 WeakPolarHBondContact O-CA 3.39Å; T238-Q241 WeakPolarHBondContact O-CB 3.35Å; T238-Q241 PolarHBondContact O-N 3.28Å; T238-Q241 PolarHBondContact OG1-N 3.05Å; T238-K242 PolarHBondContact O-N 3.05Å | ||
| 239 | D | 77.8 | Confident | 68.9 | Low | 131 Ų | 131 | 83.8 Ų | 83.8 | 70% | 0.701 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -57.9 | -29.2 | 179.2 | -72.5 | -40.2 | 0 | 0 | 0 | 111.3 | K242 G243 | D239-K242 PolarHBondContact O-N 2.98Å; D239-G243 PolarHBondContact O-N 3.4Å |
| 240 | E | 83.2 | Confident | 71.2 | Confident | 140 Ų | 140 | 79.5 Ų | 79.5 | 65% | 0.654 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.6 | -41.7 | 172.2 | -57.9 | 74.7 | -160.4 | 0 | 0 | 112.4 | T238 G243 A244 | T238-E240 WeakPolarHBondContact CB-OE2 3.38Å; T238-E240 PolarHBondContact O-N 2.9Å; T238-E240 VanDerWaalsContact O-N 3.12Å; T238-E240 PolarHBondContact OG1-OE2 3.24Å; E240-G243 PolarHBondContact O-N 3.03Å; E240-A244 VanDerWaalsContact O-CB 3.25Å; E240-A244 WeakPolarHBondContact O-CB 3.24Å; E240-A244 PolarHBondContact O-N 2.89Å |
| 241 | Q | 83.4 | Confident | 73.6 | Confident | 67 Ų | 67 | 76.7 Ų | 76.7 | 31% | 0.313 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 177 | -70.4 | 174 | -36.3 | 0 | 0 | 111 | L237 T238 A244 M245 | L237-Q241 HydrophobicContact CB-CB 4.24Å; L237-Q241 HydrophobicContact CD2-CB 4.41Å; L237-Q241 VanDerWaalsContact CD2-OE1 3.29Å; T238-Q241 WeakPolarHBondContact O-CA 3.39Å; T238-Q241 WeakPolarHBondContact O-CB 3.35Å; T238-Q241 PolarHBondContact O-N 3.28Å; T238-Q241 PolarHBondContact OG1-N 3.05Å; Q241-A244 PolarHBondContact O-N 2.88Å; Q241-M245 VanDerWaalsContact O-CG 3.31Å; Q241-M245 WeakPolarHBondContact O-CG 3.47Å; Q241-M245 PolarHBondContact O-N 3.04Å |
| 242 | K | 82.6 | Confident | 75.8 | Confident | 118 Ų | 118 | 69.5 Ų | 69.5 | 51% | 0.513 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 175.3 | -173.9 | 179.9 | 175.1 | -174.4 | 0 | 111.4 | T238 D239 A244 M245 E246 | T238-K242 PolarHBondContact O-N 3.05Å; D239-K242 PolarHBondContact O-N 2.98Å; K242-A244 PolarHBondContact O-N 3.2Å; K242-M245 WeakPolarHBondContact O-CB 3.42Å; K242-M245 PolarHBondContact O-N 3.27Å; K242-E246 PolarHBondContact O-N 3.1Å |
| 243 | G | 85.6 | Confident | 78.3 | Confident | 39 Ų | 39 | 64.4 Ų | 64.4 | 40% | 0.402 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D239 E240 M245 E246 N247 | D239-G243 PolarHBondContact O-N 3.4Å; E240-G243 PolarHBondContact O-N 3.03Å; G243-M245 VanDerWaalsContact C-N 3.32Å; G243-M245 PolarHBondContact O-N 3.09Å; G243-E246 PolarHBondContact O-N 2.88Å; G243-N247 WeakPolarHBondContact O-CB 3.12Å; G243-N247 PolarHBondContact O-N 2.96Å |
| 244 | A | 85.6 | Confident | 80.7 | Confident | 47 Ų | 47 | 56.9 Ų | 56.9 | 39% | 0.388 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.6 | -36.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E240 Q241 K242 A248 | E240-A244 VanDerWaalsContact O-CB 3.25Å; E240-A244 WeakPolarHBondContact O-CB 3.24Å; E240-A244 PolarHBondContact O-N 2.89Å; Q241-A244 PolarHBondContact O-N 2.88Å; K242-A244 PolarHBondContact O-N 3.2Å; A244-A248 VanDerWaalsContact O-CB 3.25Å; A244-A248 WeakPolarHBondContact O-CB 3.48Å; A244-A248 PolarHBondContact O-N 3.39Å |
| 245 | M | 87.5 | Confident | 83.1 | Confident | 7 Ų | 7 | 53.3 Ų | 53.3 | 3% | 0.034 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.1 | -43.6 | 174.8 | -74.6 | -176.6 | 68 | 0 | 0 | 112.6 | V174 I207 L210 L237 Q241 K242 G243 N247 A248 E249 | V174-M245 HydrophobicContact CB-CG 4.49Å; V174-M245 HydrophobicContact CB-SD 4.13Å; V174-M245 HydrophobicContact CG1-CG 3.92Å; V174-M245 HydrophobicContact CG1-SD 4.18Å; V174-M245 HydrophobicContact CG2-CE 4.47Å; V174-M245 HydrophobicContact CG2-CG 4.17Å; V174-M245 HydrophobicContact CG2-SD 3.31Å; V174-M245 WeakPolarHBondContact CG2-SD 3.36Å; I207-M245 HydrophobicContact CB-CE 4.11Å; I207-M245 HydrophobicContact CG1-CE 4.07Å; I207-M245 HydrophobicContact CG2-CE 4.03Å; L210-M245 HydrophobicContact CB-CE 3.92Å; L210-M245 HydrophobicContact CD1-CE 4.35Å; L210-M245 HydrophobicContact CD2-CE 3.8Å; L210-M245 HydrophobicContact CD2-SD 3.83Å; L210-M245 HydrophobicContact CG-CE 4.23Å; L237-M245 HydrophobicContact CD1-SD 3.94Å; Q241-M245 VanDerWaalsContact O-CG 3.31Å; Q241-M245 WeakPolarHBondContact O-CG 3.47Å; Q241-M245 PolarHBondContact O-N 3.04Å; K242-M245 WeakPolarHBondContact O-CB 3.42Å; K242-M245 PolarHBondContact O-N 3.27Å; G243-M245 VanDerWaalsContact C-N 3.32Å; G243-M245 PolarHBondContact O-N 3.09Å; M245-N247 VanDerWaalsContact C-N 3.34Å; M245-A248 PolarHBondContact O-N 3.16Å; M245-E249 PolarHBondContact O-N 3.45Å |
| 246 | E | 88.8 | Confident | 85.2 | Confident | 73 Ų | 73 | 50.7 Ų | 50.7 | 34% | 0.341 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60 | -47.1 | 174.8 | -72 | -170.6 | -150.5 | 0 | 0 | 110.3 | K242 G243 A248 E249 L250 K281 | K242-E246 PolarHBondContact O-N 3.1Å; G243-E246 PolarHBondContact O-N 2.88Å; E246-A248 PolarHBondContact O-N 2.71Å; E246-E249 VanDerWaalsContact O-CB 3.24Å; E246-E249 WeakPolarHBondContact O-CB 3.49Å; E246-E249 PolarHBondContact O-N 2.66Å; E246-E249 VanDerWaalsContact O-N 3.09Å; E246-L250 WeakPolarHBondContact O-CG 3.46Å; E246-L250 PolarHBondContact O-N 3.04Å; E246-L250 VanDerWaalsContact O-N 3.11Å; E246-K281 IonicContact OE2-NZ 2.92Å; E246-K281 PolarHBondContact OE2-NZ 3.48Å |
| 247 | N | 89.6 | Confident | 86.7 | Confident | 67 Ų | 67 | 45.5 Ų | 45.5 | 36% | 0.358 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 175.7 | -177.4 | 52.5 | 0 | 0 | 0 | 112.1 | G243 M245 E249 L250 E251 E282 | G243-N247 WeakPolarHBondContact O-CB 3.12Å; G243-N247 PolarHBondContact O-N 2.96Å; M245-N247 VanDerWaalsContact C-N 3.34Å; N247-E249 VanDerWaalsContact C-N 3.25Å; N247-E249 PolarHBondContact O-N 3.18Å; N247-L250 PolarHBondContact O-N 3.47Å; N247-E251 PolarHBondContact ND2-OE1 3.45Å; N247-E251 WeakPolarHBondContact O-CG 3.5Å; N247-E251 PolarHBondContact O-N 2.98Å; N247-E282 PolarHBondContact OD1-OE1 3.16Å |
| 248 | A | 90.4 | Very high | 87.9 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 2% | 0.017 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.2 | -34.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L178 I207 A244 M245 E246 C252 | L178-A248 HydrophobicContact CD2-CB 3.7Å; I207-A248 HydrophobicContact CD1-CB 4.35Å; A244-A248 VanDerWaalsContact O-CB 3.25Å; A244-A248 WeakPolarHBondContact O-CB 3.48Å; A244-A248 PolarHBondContact O-N 3.39Å; M245-A248 PolarHBondContact O-N 3.16Å; E246-A248 PolarHBondContact O-N 2.71Å; A248-C252 WeakPolarHBondContact O-CB 3.43Å; A248-C252 PolarHBondContact O-N 2.96Å; A248-C252 PolarHBondContact O-SG 3.43Å |
| 249 | E | 91.8 | Very high | 88.6 | Confident | 41 Ų | 41 | 41.8 Ų | 41.8 | 19% | 0.192 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -48.6 | 174.3 | -157.1 | -168.8 | 165.4 | 0 | 0 | 111.1 | L204 I207 K208 M245 E246 N247 E251 C252 Y253 | L204-E249 HydrophobicContact CD2-CB 4.34Å; L204-E249 HydrophobicContact CD2-CG 3.36Å; I207-E249 HydrophobicContact CD1-CB 4.14Å; I207-E249 HydrophobicContact CD1-CG 4.45Å; I207-E249 HydrophobicContact CG2-CB 4.22Å; I207-E249 HydrophobicContact CG2-CG 4.2Å; K208-E249 WeakPolarHBondContact CE-OE1 3.45Å; M245-E249 PolarHBondContact O-N 3.45Å; E246-E249 VanDerWaalsContact O-CB 3.24Å; E246-E249 WeakPolarHBondContact O-CB 3.49Å; E246-E249 PolarHBondContact O-N 2.66Å; E246-E249 VanDerWaalsContact O-N 3.09Å; N247-E249 VanDerWaalsContact C-N 3.25Å; N247-E249 PolarHBondContact O-N 3.18Å; E249-E251 PolarHBondContact O-N 3.44Å; E249-C252 WeakPolarHBondContact O-CB 3.31Å; E249-C252 PolarHBondContact O-N 3.46Å; E249-Y253 HydrophobicContact CG-CD2 4.24Å; E249-Y253 HydrophobicContact CG-CE2 3.61Å; E249-Y253 VanDerWaalsContact O-CD2 3.22Å; E249-Y253 WeakPolarHBondContact O-CD2 3.31Å; E249-Y253 PolarHBondContact O-N 3.01Å; E249-Y253 WeakPolarHBondContact OE1-CE2 3.34Å; E249-Y253 PolarHBondContact OE1-OH 3.32Å |
| 250 | L | 91.8 | Very high | 89.1 | Confident | 18 Ų | 18 | 36.6 Ų | 36.6 | 9% | 0.094 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.2 | -43.5 | 179.3 | -57 | -178.7 | 0 | 0 | 0 | 111.4 | E246 N247 C252 Y253 N254 V278 K281 E282 | E246-L250 WeakPolarHBondContact O-CG 3.46Å; E246-L250 PolarHBondContact O-N 3.04Å; E246-L250 VanDerWaalsContact O-N 3.11Å; N247-L250 PolarHBondContact O-N 3.47Å; L250-C252 VanDerWaalsContact C-N 3.3Å; L250-C252 PolarHBondContact O-N 2.95Å; L250-Y253 PolarHBondContact O-N 3.48Å; L250-N254 WeakPolarHBondContact O-CB 3.39Å; L250-N254 PolarHBondContact O-N 2.98Å; L250-V278 HydrophobicContact CB-CG1 4.49Å; L250-V278 WeakPolarHBondContact O-CG2 3.4Å; L250-K281 HydrophobicContact CD1-CB 3.59Å; L250-K281 HydrophobicContact CD1-CG 4.4Å; L250-K281 HydrophobicContact CD2-CB 3.84Å; L250-K281 HydrophobicContact CD2-CG 4.02Å; L250-K281 HydrophobicContact CG-CB 4.38Å; L250-E282 HydrophobicContact CD1-CG 3.66Å; L250-E282 WeakPolarHBondContact CD1-OE1 3.24Å |
| 251 | E | 90.9 | Very high | 89.2 | Confident | 71 Ų | 71 | 31.2 Ų | 31.2 | 33% | 0.332 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.6 | -37.5 | 174.7 | -73.8 | -172.7 | -141.4 | 0 | 0 | 112.4 | K181 N247 E249 N254 S255 | K181-E251 WeakPolarHBondContact CE-OE2 3.49Å; K181-E251 IonicContact NZ-OE1 2.66Å; K181-E251 IonicContact NZ-OE2 3.06Å; K181-E251 PolarHBondContact NZ-OE2 3.15Å; N247-E251 PolarHBondContact ND2-OE1 3.45Å; N247-E251 WeakPolarHBondContact O-CG 3.5Å; N247-E251 PolarHBondContact O-N 2.98Å; E249-E251 PolarHBondContact O-N 3.44Å; E251-N254 PolarHBondContact O-N 3.27Å; E251-S255 VanDerWaalsContact O-CB 3.31Å; E251-S255 WeakPolarHBondContact O-CB 3.15Å; E251-S255 PolarHBondContact O-N 3Å; E251-S255 PolarHBondContact O-OG 3.07Å |
| 252 | C | 93.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.7 | -45.9 | 174.9 | -73.4 | 0 | 0 | 0 | 0 | 111.6 | Y200 L204 A248 E249 L250 N254 S255 L256 | Y200-C252 HydrophobicContact CD1-CB 4.41Å; L204-C252 HydrophobicContact CD2-CB 3.73Å; L204-C252 HydrophobicContact CG-CB 3.96Å; A248-C252 WeakPolarHBondContact O-CB 3.43Å; A248-C252 PolarHBondContact O-N 2.96Å; A248-C252 PolarHBondContact O-SG 3.43Å; E249-C252 WeakPolarHBondContact O-CB 3.31Å; E249-C252 PolarHBondContact O-N 3.46Å; L250-C252 VanDerWaalsContact C-N 3.3Å; L250-C252 PolarHBondContact O-N 2.95Å; C252-N254 PolarHBondContact O-N 3.15Å; C252-S255 PolarHBondContact O-N 3.4Å; C252-L256 WeakPolarHBondContact O-CB 3.49Å; C252-L256 WeakPolarHBondContact O-CG 3.42Å; C252-L256 PolarHBondContact O-N 2.96Å |
| 253 | Y | 94.1 | Very high | 89.1 | Confident | 11 Ų | 11 | 26.2 Ų | 26.2 | 4% | 0.043 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.1 | -43.2 | 175.6 | -72 | -56.9 | 0 | 0 | 0 | 112.2 | L204 K208 E249 L250 S255 L256 A257 Y274 K277 | L204-Y253 HydrophobicContact CD1-CD1 3.93Å; L204-Y253 HydrophobicContact CD1-CE1 3.57Å; L204-Y253 HydrophobicContact CD2-CE1 4.2Å; L204-Y253 HydrophobicContact CD2-CE2 4.13Å; K208-Y253 WeakPolarHBondContact CE-OH 3.31Å; K208-Y253 PolarHBondContact NZ-OH 3.1Å; E249-Y253 HydrophobicContact CG-CD2 4.24Å; E249-Y253 HydrophobicContact CG-CE2 3.61Å; E249-Y253 VanDerWaalsContact O-CD2 3.22Å; E249-Y253 WeakPolarHBondContact O-CD2 3.31Å; E249-Y253 PolarHBondContact O-N 3.01Å; E249-Y253 WeakPolarHBondContact OE1-CE2 3.34Å; E249-Y253 PolarHBondContact OE1-OH 3.32Å; L250-Y253 PolarHBondContact O-N 3.48Å; Y253-S255 VanDerWaalsContact C-N 3.32Å; Y253-S255 PolarHBondContact O-N 2.86Å; Y253-L256 PolarHBondContact O-N 3.35Å; Y253-A257 WeakPolarHBondContact O-CB 3.42Å; Y253-A257 PolarHBondContact O-N 3.4Å; Y253-Y274 AromaticContact CD1-CD1 3.69Å; Y253-Y274 HydrophobicContact CD1-CD1 3.69Å; Y253-Y274 HydrophobicContact CD1-CE1 4.27Å; Y253-Y274 HydrophobicContact CD1-CG 4.17Å; Y253-Y274 HydrophobicContact CE1-CD1 4.12Å; Y253-Y274 HydrophobicContact CE1-CE1 4.37Å; Y253-K277 HydrophobicContact CD2-CB 4.43Å; Y253-K277 HydrophobicContact CE1-CD 4.17Å; Y253-K277 HydrophobicContact CE2-CD 4.46Å |
| 254 | N | 91.3 | Very high | 88.6 | Confident | 18 Ų | 18 | 32.1 Ų | 32.1 | 10% | 0.096 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 177.9 | -163.4 | 20.9 | 0 | 0 | 0 | 110.7 | L250 E251 C252 A257 A258 V278 R291 | L250-N254 WeakPolarHBondContact O-CB 3.39Å; L250-N254 PolarHBondContact O-N 2.98Å; E251-N254 PolarHBondContact O-N 3.27Å; C252-N254 PolarHBondContact O-N 3.15Å; N254-A257 PolarHBondContact O-N 3.04Å; N254-A258 PolarHBondContact O-N 3.12Å; N254-A258 VanDerWaalsContact O-N 3.1Å; N254-V278 HydrophobicContact CB-CG2 4.39Å; N254-R291 VanDerWaalsContact CG-NH1 3.31Å; N254-R291 PolarHBondContact O-NH1 3.49Å; N254-R291 PolarHBondContact OD1-NH1 2.98Å |
| 255 | S | 91.9 | Very high | 88.5 | Confident | 26 Ų | 26 | 37.1 Ų | 37.1 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.1 | -37.9 | 177.8 | -56.5 | 0 | 0 | 0 | 0 | 112.4 | Y200 E251 C252 Y253 A258 C259 | Y200-S255 WeakPolarHBondContact OH-CB 3.17Å; E251-S255 VanDerWaalsContact O-CB 3.31Å; E251-S255 WeakPolarHBondContact O-CB 3.15Å; E251-S255 PolarHBondContact O-N 3Å; E251-S255 PolarHBondContact O-OG 3.07Å; C252-S255 PolarHBondContact O-N 3.4Å; Y253-S255 VanDerWaalsContact C-N 3.32Å; Y253-S255 PolarHBondContact O-N 2.86Å; S255-A258 WeakPolarHBondContact O-CB 3.41Å; S255-A258 PolarHBondContact O-N 3.49Å; S255-C259 PolarHBondContact O-N 3.19Å; S255-C259 PolarHBondContact O-SG 2.93Å |
| 256 | L | 92.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.4 | -45.6 | 172.7 | -81.3 | 167.3 | 0 | 0 | 0 | 112 | I197 Y200 L204 C252 Y253 A258 C259 L260 Y274 | I197-L256 HydrophobicContact CB-CD2 4.12Å; I197-L256 HydrophobicContact CG1-CD2 4.08Å; I197-L256 HydrophobicContact CG2-CD2 3.93Å; Y200-L256 HydrophobicContact CD2-CD2 4.35Å; Y200-L256 HydrophobicContact CD2-CG 4.38Å; Y200-L256 HydrophobicContact CG-CG 4.3Å; L204-L256 HydrophobicContact CD1-CD1 3.56Å; C252-L256 WeakPolarHBondContact O-CB 3.49Å; C252-L256 WeakPolarHBondContact O-CG 3.42Å; C252-L256 PolarHBondContact O-N 2.96Å; Y253-L256 PolarHBondContact O-N 3.35Å; L256-A258 VanDerWaalsContact C-N 3.26Å; L256-A258 PolarHBondContact O-N 2.89Å; L256-C259 WeakPolarHBondContact O-CB 3.43Å; L256-C259 PolarHBondContact O-N 2.95Å; L256-C259 VanDerWaalsContact O-N 3.16Å; L256-L260 WeakPolarHBondContact O-CG 3.42Å; L256-L260 PolarHBondContact O-N 3.48Å; L256-Y274 HydrophobicContact CB-CD2 4.08Å; L256-Y274 HydrophobicContact CB-CE2 4.22Å |
| 257 | A | 90.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.8 | -41.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y253 N254 L260 L261 V271 | Y253-A257 WeakPolarHBondContact O-CB 3.42Å; Y253-A257 PolarHBondContact O-N 3.4Å; N254-A257 PolarHBondContact O-N 3.04Å; A257-L260 PolarHBondContact O-N 3.28Å; A257-L261 WeakPolarHBondContact O-CG 3.36Å; A257-L261 PolarHBondContact O-N 3.01Å; A257-V271 HydrophobicContact CB-CG1 4.23Å |
| 258 | A | 87.6 | Confident | 88 | Confident | 2 Ų | 2 | 38 Ų | 38 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.3 | -45.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y188 N254 S255 L256 L261 Q262 R291 | Y188-A258 HydrophobicContact CE2-CB 3.91Å; N254-A258 PolarHBondContact O-N 3.12Å; N254-A258 VanDerWaalsContact O-N 3.1Å; S255-A258 WeakPolarHBondContact O-CB 3.41Å; S255-A258 PolarHBondContact O-N 3.49Å; L256-A258 VanDerWaalsContact C-N 3.26Å; L256-A258 PolarHBondContact O-N 2.89Å; A258-L261 PolarHBondContact O-N 2.98Å; A258-Q262 WeakPolarHBondContact O-CG 3.44Å; A258-Q262 PolarHBondContact O-N 3.31Å; A258-R291 VanDerWaalsContact CB-CZ 3.49Å; A258-R291 VanDerWaalsContact CB-NH2 3.34Å |
| 259 | C | 89.5 | Confident | 88.1 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 179.1 | -63.7 | 0 | 0 | 0 | 0 | 111.3 | Y188 I197 S255 L256 L261 Q262 M263 | Y188-C259 VanDerWaalsContact CD2-SG 3.54Å; I197-C259 HydrophobicContact CD1-CB 3.88Å; I197-C259 HydrophobicContact CG1-CB 3.53Å; S255-C259 PolarHBondContact O-N 3.19Å; S255-C259 PolarHBondContact O-SG 2.93Å; L256-C259 WeakPolarHBondContact O-CB 3.43Å; L256-C259 PolarHBondContact O-N 2.95Å; L256-C259 VanDerWaalsContact O-N 3.16Å; C259-L261 VanDerWaalsContact C-N 3.31Å; C259-L261 PolarHBondContact O-N 3.41Å; C259-Q262 WeakPolarHBondContact O-CB 3.4Å; C259-Q262 PolarHBondContact O-N 3.22Å; C259-M263 WeakPolarHBondContact O-CG 3.38Å; C259-M263 PolarHBondContact O-N 3.32Å |
| 260 | L | 88.7 | Confident | 88 | Confident | 21 Ų | 21 | 48.1 Ų | 48.1 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.8 | -37.8 | -178.8 | -74.7 | 177.2 | 0 | 0 | 0 | 112.2 | I197 L256 A257 Q262 M263 R270 V271 Y274 | I197-L260 HydrophobicContact CD1-CD2 4.11Å; L256-L260 WeakPolarHBondContact O-CG 3.42Å; L256-L260 PolarHBondContact O-N 3.48Å; A257-L260 PolarHBondContact O-N 3.28Å; L260-Q262 PolarHBondContact O-N 3.35Å; L260-M263 HydrophobicContact CD2-SD 3.99Å; L260-M263 PolarHBondContact O-N 3.42Å; L260-R270 HydrophobicContact CD1-CB 4.05Å; L260-V271 HydrophobicContact CB-CG2 3.56Å; L260-V271 HydrophobicContact CD1-CG2 3.99Å; L260-V271 HydrophobicContact CG-CG2 4.46Å; L260-Y274 HydrophobicContact CD1-CD2 3.88Å; L260-Y274 HydrophobicContact CD1-CE2 3.63Å |
| 261 | L | 85.9 | Confident | 88 | Confident | 27 Ų | 27 | 47.2 Ų | 47.2 | 14% | 0.141 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.4 | -20.3 | 174.4 | -71.6 | 171.9 | 0 | 0 | 0 | 113.3 | F8 A257 A258 C259 V266 Y268 V271 R291 | F8-L261 HydrophobicContact CE2-CB 4.15Å; A257-L261 WeakPolarHBondContact O-CG 3.36Å; A257-L261 PolarHBondContact O-N 3.01Å; A258-L261 PolarHBondContact O-N 2.98Å; C259-L261 VanDerWaalsContact C-N 3.31Å; C259-L261 PolarHBondContact O-N 3.41Å; L261-V266 HydrophobicContact CD2-CG1 4.01Å; L261-Y268 HydrophobicContact CD2-CD1 4.29Å; L261-Y268 HydrophobicContact CD2-CE1 4.03Å; L261-V271 HydrophobicContact CD1-CG1 4.25Å; L261-V271 HydrophobicContact CD2-CG1 4.12Å; L261-V271 HydrophobicContact CD2-CG2 4.24Å; L261-V271 HydrophobicContact CG-CG1 4.07Å; L261-V271 HydrophobicContact CG-CG2 4.17Å; L261-R291 HydrophobicContact CD1-CB 4.25Å; L261-R291 HydrophobicContact CD1-CG 3.91Å |
| 262 | Q | 83 | Confident | 88.1 | Confident | 24 Ų | 24 | 46.5 Ų | 46.5 | 11% | 0.112 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -3.8 | 178.4 | -67.8 | -69.9 | -16.6 | 0 | 0 | 113.2 | F8 Y193 A258 C259 L260 | F8-Q262 HydrophobicContact CD2-CG 4.1Å; F8-Q262 HydrophobicContact CE2-CG 4.18Å; F8-Q262 PolarHBondContact O-NE2 3.48Å; Y193-Q262 HydrophobicContact CD1-CB 4.17Å; Y193-Q262 HydrophobicContact CD2-CB 3.93Å; Y193-Q262 HydrophobicContact CE1-CB 4.1Å; Y193-Q262 HydrophobicContact CE1-CG 4.2Å; Y193-Q262 HydrophobicContact CE2-CB 3.85Å; Y193-Q262 HydrophobicContact CE2-CG 4.49Å; Y193-Q262 HydrophobicContact CG-CB 4.1Å; A258-Q262 WeakPolarHBondContact O-CG 3.44Å; A258-Q262 PolarHBondContact O-N 3.31Å; C259-Q262 WeakPolarHBondContact O-CB 3.4Å; C259-Q262 PolarHBondContact O-N 3.22Å; L260-Q262 PolarHBondContact O-N 3.35Å |
| 263 | M | 80.8 | Confident | 88.1 | Confident | 56 Ų | 56 | 50.8 Ų | 50.8 | 28% | 0.276 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -79.1 | 152.3 | 175.9 | -65.9 | -171.7 | 66.3 | 0 | 0 | 111.2 | I197 C259 L260 L265 V266 | I197-M263 HydrophobicContact CD1-CG 4.31Å; I197-M263 HydrophobicContact CD1-SD 3.4Å; I197-M263 WeakPolarHBondContact CD1-SD 3.41Å; C259-M263 WeakPolarHBondContact O-CG 3.38Å; C259-M263 PolarHBondContact O-N 3.32Å; L260-M263 HydrophobicContact CD2-SD 3.99Å; L260-M263 PolarHBondContact O-N 3.42Å; M263-L265 VanDerWaalsContact C-N 3.28Å; M263-L265 PolarHBondContact O-N 3.42Å; M263-V266 WeakPolarHBondContact O-CG2 3.34Å |
| 264 | E | 75.6 | Confident | 88.1 | Confident | 163 Ų | 163 | 51.1 Ų | 51.1 | 76% | 0.762 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -62.9 | -35.3 | 176.2 | -171.4 | 176.4 | -168.8 | 0 | 0 | 112.4 | F15 | F15-E264 HydrophobicContact CE1-CG 4.46Å; F15-E264 HydrophobicContact CZ-CB 4.36Å; F15-E264 HydrophobicContact CZ-CG 4.35Å |
| 265 | L | 82.3 | Confident | 88.2 | Confident | 153 Ų | 153 | 50.3 Ų | 50.3 | 80% | 0.801 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -110.2 | 90.8 | 173.2 | -65.8 | 176.7 | 0 | 0 | 0 | 109.6 | M263 N267 | M263-L265 VanDerWaalsContact C-N 3.28Å; M263-L265 PolarHBondContact O-N 3.42Å; L265-N267 PolarHBondContact O-N 2.95Å |
| 266 | V | 82.5 | Confident | 88.2 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 21% | 0.206 | 25% | 0.245 | C | C | . | . | trans | -78.4 | 121.2 | -178.6 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | L261 M263 Y268 | L261-V266 HydrophobicContact CD2-CG1 4.01Å; M263-V266 WeakPolarHBondContact O-CG2 3.34Å; V266-Y268 HydrophobicContact CB-CD2 4.44Å; V266-Y268 HydrophobicContact CB-CE1 4.15Å; V266-Y268 HydrophobicContact CB-CE2 3.91Å; V266-Y268 HydrophobicContact CG1-CD1 3.71Å; V266-Y268 HydrophobicContact CG1-CD2 4.22Å; V266-Y268 HydrophobicContact CG1-CE1 3.47Å; V266-Y268 VanDerWaalsContact CG1-CE1 3.47Å; V266-Y268 HydrophobicContact CG1-CE2 4Å; V266-Y268 HydrophobicContact CG1-CG 4.09Å; V266-Y268 PolarHBondContact O-N 2.73Å | ||
| 267 | N | 86.4 | Confident | 88.2 | Confident | 70 Ų | 70 | 55.4 Ų | 55.4 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | trans | -90.5 | 92.7 | 169 | -173.4 | -36 | 0 | 0 | 0 | 110 | L265 E269 R270 V271 | L265-N267 PolarHBondContact O-N 2.95Å; N267-E269 VanDerWaalsContact C-N 3.27Å; N267-E269 PolarHBondContact O-N 3.19Å; N267-E269 WeakPolarHBondContact OD1-CB 3.44Å; N267-E269 PolarHBondContact OD1-N 2.95Å; N267-E269 VanDerWaalsContact OD1-N 3.14Å; N267-R270 HydrophobicContact CB-CB 4.43Å; N267-R270 PolarHBondContact O-N 2.6Å; N267-R270 PolarHBondContact OD1-N 2.93Å; N267-V271 WeakPolarHBondContact O-CG2 3.28Å; N267-V271 PolarHBondContact O-N 2.99Å; N267-V271 VanDerWaalsContact O-N 3.16Å | ||
| 268 | Y | 87.1 | Confident | 88.2 | Confident | 62 Ų | 62 | 55.4 Ų | 55.4 | 24% | 0.243 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.3 | -26.4 | -179 | -63.5 | -74.6 | 0 | 0 | 0 | 113.6 | L261 V266 V271 K272 H298 | L261-Y268 HydrophobicContact CD2-CD1 4.29Å; L261-Y268 HydrophobicContact CD2-CE1 4.03Å; V266-Y268 HydrophobicContact CB-CD2 4.44Å; V266-Y268 HydrophobicContact CB-CE1 4.15Å; V266-Y268 HydrophobicContact CB-CE2 3.91Å; V266-Y268 HydrophobicContact CG1-CD1 3.71Å; V266-Y268 HydrophobicContact CG1-CD2 4.22Å; V266-Y268 HydrophobicContact CG1-CE1 3.47Å; V266-Y268 VanDerWaalsContact CG1-CE1 3.47Å; V266-Y268 HydrophobicContact CG1-CE2 4Å; V266-Y268 HydrophobicContact CG1-CG 4.09Å; V266-Y268 PolarHBondContact O-N 2.73Å; Y268-V271 PolarHBondContact O-N 2.71Å; Y268-K272 WeakPolarHBondContact O-CB 3.42Å; Y268-K272 PolarHBondContact O-N 3.28Å; Y268-H298 HydrophobicContact CD1-CB 3.61Å; Y268-H298 AromaticContact CD1-CD2 3.87Å; Y268-H298 AromaticContact CD1-CG 3.9Å; Y268-H298 HydrophobicContact CD2-CB 3.61Å; Y268-H298 HydrophobicContact CE1-CB 3.69Å; Y268-H298 AromaticContact CE1-CD2 3.24Å; Y268-H298 WeakPolarHBondContact CE1-CD2 3.42Å; Y268-H298 AromaticContact CE1-CG 3.45Å; Y268-H298 VanDerWaalsContact CE1-CG 3.45Å; Y268-H298 AromaticContact CE1-NE2 3.94Å; Y268-H298 HydrophobicContact CE2-CB 3.71Å; Y268-H298 AromaticContact CE2-CG 3.82Å; Y268-H298 HydrophobicContact CG-CB 3.56Å; Y268-H298 AromaticContact CZ-CD2 3.57Å; Y268-H298 AromaticContact CZ-CG 3.4Å; Y268-H298 VanDerWaalsContact CZ-CG 3.4Å; Y268-H298 AromaticContact CZ-ND1 3.72Å; Y268-H298 AromaticContact CZ-NE2 4Å |
| 269 | E | 91.8 | Very high | 88.4 | Confident | 121 Ų | 121 | 56.4 Ų | 56.4 | 57% | 0.565 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -66.3 | -44.8 | 176 | -64.1 | -166 | 147.5 | 0 | 0 | 112 | N267 K272 E273 L299 | N267-E269 VanDerWaalsContact C-N 3.27Å; N267-E269 PolarHBondContact O-N 3.19Å; N267-E269 WeakPolarHBondContact OD1-CB 3.44Å; N267-E269 PolarHBondContact OD1-N 2.95Å; N267-E269 VanDerWaalsContact OD1-N 3.14Å; E269-K272 WeakPolarHBondContact O-CB 3.49Å; E269-K272 PolarHBondContact O-N 3.43Å; E269-E273 PolarHBondContact O-N 2.98Å; E269-L299 HydrophobicContact CG-CD2 3.64Å |
| 270 | R | 90.8 | Very high | 88.4 | Confident | 133 Ų | 133 | 63.8 Ų | 63.8 | 50% | 0.502 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68 | -39 | 176.2 | -77.2 | -156.9 | 174.6 | 171 | 2.4 | 112.4 | L260 N267 K272 E273 Y274 | L260-R270 HydrophobicContact CD1-CB 4.05Å; N267-R270 HydrophobicContact CB-CB 4.43Å; N267-R270 PolarHBondContact O-N 2.6Å; N267-R270 PolarHBondContact OD1-N 2.93Å; R270-K272 VanDerWaalsContact C-N 3.33Å; R270-K272 PolarHBondContact O-N 3.49Å; R270-E273 PolarHBondContact O-N 2.75Å; R270-Y274 HydrophobicContact CB-CE2 4.4Å; R270-Y274 WeakPolarHBondContact O-CD2 2.94Å; R270-Y274 PolarHBondContact O-N 3.14Å |
| 271 | V | 91.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58 | -49.1 | 174 | 174.1 | 0 | 0 | 0 | 0 | 110.2 | A257 L260 L261 N267 Y268 E273 Y274 C275 A295 | A257-V271 HydrophobicContact CB-CG1 4.23Å; L260-V271 HydrophobicContact CB-CG2 3.56Å; L260-V271 HydrophobicContact CD1-CG2 3.99Å; L260-V271 HydrophobicContact CG-CG2 4.46Å; L261-V271 HydrophobicContact CD1-CG1 4.25Å; L261-V271 HydrophobicContact CD2-CG1 4.12Å; L261-V271 HydrophobicContact CD2-CG2 4.24Å; L261-V271 HydrophobicContact CG-CG1 4.07Å; L261-V271 HydrophobicContact CG-CG2 4.17Å; N267-V271 WeakPolarHBondContact O-CG2 3.28Å; N267-V271 PolarHBondContact O-N 2.99Å; N267-V271 VanDerWaalsContact O-N 3.16Å; Y268-V271 PolarHBondContact O-N 2.71Å; V271-E273 PolarHBondContact O-N 3.29Å; V271-Y274 PolarHBondContact O-N 3.23Å; V271-C275 PolarHBondContact O-N 3.27Å; V271-C275 PolarHBondContact O-SG 3.16Å; V271-A295 HydrophobicContact CB-CB 4.29Å; V271-A295 HydrophobicContact CG1-CB 3.98Å |
| 272 | K | 93.1 | Very high | 88.3 | Confident | 56 Ų | 56 | 70.5 Ų | 70.5 | 24% | 0.243 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -54 | -51 | 175 | 174.4 | -167 | 69.7 | -175.2 | 0 | 111.1 | Y268 E269 R270 Y274 C275 L276 A295 Y296 L299 | Y268-K272 WeakPolarHBondContact O-CB 3.42Å; Y268-K272 PolarHBondContact O-N 3.28Å; E269-K272 WeakPolarHBondContact O-CB 3.49Å; E269-K272 PolarHBondContact O-N 3.43Å; R270-K272 VanDerWaalsContact C-N 3.33Å; R270-K272 PolarHBondContact O-N 3.49Å; K272-Y274 PolarHBondContact O-N 3.02Å; K272-C275 PolarHBondContact O-N 2.99Å; K272-L276 HydrophobicContact CG-CD1 3.94Å; K272-L276 HydrophobicContact CG-CG 4.41Å; K272-L276 VanDerWaalsContact O-CG 3.28Å; K272-L276 WeakPolarHBondContact O-CG 3.47Å; K272-L276 PolarHBondContact O-N 3.4Å; K272-A295 HydrophobicContact CB-CB 4.1Å; K272-Y296 HydrophobicContact CD-CD1 4.12Å; K272-Y296 HydrophobicContact CD-CE1 3.48Å; K272-Y296 VanDerWaalsContact CD-CE1 3.48Å; K272-Y296 HydrophobicContact CD-CE2 4.2Å; K272-Y296 HydrophobicContact CG-CE1 4.12Å; K272-Y296 HydrophobicContact CG-CE2 3.89Å; K272-L299 HydrophobicContact CB-CD1 4.26Å; K272-L299 HydrophobicContact CD-CD1 3.81Å |
| 273 | E | 93.9 | Very high | 88.2 | Confident | 89 Ų | 89 | 71.7 Ų | 71.7 | 42% | 0.416 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.7 | -44.4 | -178.2 | -165.7 | -165.5 | 151 | 0 | 0 | 112.4 | E269 R270 V271 L276 K277 | E269-E273 PolarHBondContact O-N 2.98Å; R270-E273 PolarHBondContact O-N 2.75Å; V271-E273 PolarHBondContact O-N 3.29Å; E273-L276 PolarHBondContact O-N 3.48Å; E273-K277 WeakPolarHBondContact O-CG 3.27Å; E273-K277 PolarHBondContact O-N 3.34Å; E273-K277 VanDerWaalsContact O-N 3.1Å; E273-K277 VanDerWaalsContact OE1-CE 3.29Å; E273-K277 WeakPolarHBondContact OE1-CE 3.28Å; E273-K277 IonicContact OE1-NZ 2.73Å; E273-K277 PolarHBondContact OE1-NZ 3.35Å |
| 274 | Y | 93.4 | Very high | 88.1 | Confident | 19 Ų | 19 | 76.8 Ų | 76.8 | 8% | 0.075 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 178 | -64.3 | -27.3 | 0 | 0 | 0 | 112.4 | Y253 L256 L260 R270 V271 K272 L276 K277 V278 | Y253-Y274 AromaticContact CD1-CD1 3.69Å; Y253-Y274 HydrophobicContact CD1-CD1 3.69Å; Y253-Y274 HydrophobicContact CD1-CE1 4.27Å; Y253-Y274 HydrophobicContact CD1-CG 4.17Å; Y253-Y274 HydrophobicContact CE1-CD1 4.12Å; Y253-Y274 HydrophobicContact CE1-CE1 4.37Å; L256-Y274 HydrophobicContact CB-CD2 4.08Å; L256-Y274 HydrophobicContact CB-CE2 4.22Å; L260-Y274 HydrophobicContact CD1-CD2 3.88Å; L260-Y274 HydrophobicContact CD1-CE2 3.63Å; R270-Y274 HydrophobicContact CB-CE2 4.4Å; R270-Y274 WeakPolarHBondContact O-CD2 2.94Å; R270-Y274 PolarHBondContact O-N 3.14Å; V271-Y274 PolarHBondContact O-N 3.23Å; K272-Y274 PolarHBondContact O-N 3.02Å; Y274-L276 PolarHBondContact O-N 3.33Å; Y274-K277 PolarHBondContact O-N 3.49Å; Y274-V278 WeakPolarHBondContact O-CG2 3.43Å; Y274-V278 PolarHBondContact O-N 3.14Å |
| 275 | C | 92.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.9 | -42 | 176 | -67 | 0 | 0 | 0 | 0 | 111.7 | V271 K272 K277 V278 L279 R291 | V271-C275 PolarHBondContact O-N 3.27Å; V271-C275 PolarHBondContact O-SG 3.16Å; K272-C275 PolarHBondContact O-N 2.99Å; C275-K277 VanDerWaalsContact C-N 3.34Å; C275-K277 PolarHBondContact O-N 3.25Å; C275-V278 PolarHBondContact O-N 2.67Å; C275-L279 VanDerWaalsContact O-CG 3.27Å; C275-L279 WeakPolarHBondContact O-CG 3.47Å; C275-L279 PolarHBondContact O-N 2.91Å; C275-R291 VanDerWaalsContact SG-CB 3.56Å |
| 276 | L | 92.6 | Very high | 88.6 | Confident | 57 Ų | 57 | 65.8 Ų | 65.8 | 30% | 0.298 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.6 | -37.3 | 178 | -69.4 | 174.7 | 0 | 0 | 0 | 112.8 | K272 E273 Y274 V278 L279 L280 Y308 | K272-L276 HydrophobicContact CG-CD1 3.94Å; K272-L276 HydrophobicContact CG-CG 4.41Å; K272-L276 VanDerWaalsContact O-CG 3.28Å; K272-L276 WeakPolarHBondContact O-CG 3.47Å; K272-L276 PolarHBondContact O-N 3.4Å; E273-L276 PolarHBondContact O-N 3.48Å; Y274-L276 PolarHBondContact O-N 3.33Å; L276-V278 VanDerWaalsContact C-N 3.3Å; L276-V278 PolarHBondContact O-N 3.26Å; L276-L279 HydrophobicContact CD2-CD1 4.49Å; L276-L279 PolarHBondContact O-N 3.46Å; L276-L280 PolarHBondContact O-N 3.1Å; L276-Y308 WeakPolarHBondContact CD2-OH 3.44Å |
| 277 | K | 92.5 | Very high | 88.7 | Confident | 77 Ų | 77 | 66.5 Ų | 66.5 | 34% | 0.335 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 173.9 | -74.1 | 175.9 | -175.2 | 169.3 | 0 | 112 | Y253 E273 Y274 C275 | Y253-K277 HydrophobicContact CD2-CB 4.43Å; Y253-K277 HydrophobicContact CE1-CD 4.17Å; Y253-K277 HydrophobicContact CE2-CD 4.46Å; E273-K277 WeakPolarHBondContact O-CG 3.27Å; E273-K277 PolarHBondContact O-N 3.34Å; E273-K277 VanDerWaalsContact O-N 3.1Å; E273-K277 VanDerWaalsContact OE1-CE 3.29Å; E273-K277 WeakPolarHBondContact OE1-CE 3.28Å; E273-K277 IonicContact OE1-NZ 2.73Å; E273-K277 PolarHBondContact OE1-NZ 3.35Å; Y274-K277 PolarHBondContact O-N 3.49Å; C275-K277 VanDerWaalsContact C-N 3.34Å; C275-K277 PolarHBondContact O-N 3.25Å |
| 278 | V | 91.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.8 | -47.5 | 175.1 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | L250 N254 Y274 C275 L276 L280 K281 E282 N285 A288 | L250-V278 HydrophobicContact CB-CG1 4.49Å; L250-V278 WeakPolarHBondContact O-CG2 3.4Å; N254-V278 HydrophobicContact CB-CG2 4.39Å; Y274-V278 WeakPolarHBondContact O-CG2 3.43Å; Y274-V278 PolarHBondContact O-N 3.14Å; C275-V278 PolarHBondContact O-N 2.67Å; L276-V278 VanDerWaalsContact C-N 3.3Å; L276-V278 PolarHBondContact O-N 3.26Å; V278-L280 PolarHBondContact O-N 3.3Å; V278-K281 PolarHBondContact O-N 2.95Å; V278-K281 VanDerWaalsContact O-N 3.12Å; V278-E282 HydrophobicContact CG1-CB 4.31Å; V278-E282 WeakPolarHBondContact O-CA 3.44Å; V278-E282 PolarHBondContact O-N 2.74Å; V278-N285 HydrophobicContact CG1-CB 4.37Å; V278-A288 HydrophobicContact CB-CB 4.1Å; V278-A288 HydrophobicContact CG1-CB 3.88Å |
| 279 | L | 90.6 | Very high | 88.8 | Confident | 23 Ų | 23 | 60.6 Ų | 60.6 | 12% | 0.12 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.3 | -26.8 | -178.3 | -66.6 | 173.1 | 0 | 0 | 0 | 114 | C275 L276 K281 E282 G283 A288 L289 Y308 | C275-L279 VanDerWaalsContact O-CG 3.27Å; C275-L279 WeakPolarHBondContact O-CG 3.47Å; C275-L279 PolarHBondContact O-N 2.91Å; L276-L279 HydrophobicContact CD2-CD1 4.49Å; L276-L279 PolarHBondContact O-N 3.46Å; L279-K281 VanDerWaalsContact C-N 3.26Å; L279-K281 PolarHBondContact O-N 3.5Å; L279-E282 CarbonylContact O-C 3.55Å; L279-G283 VanDerWaalsContact O-CA 3.24Å; L279-G283 WeakPolarHBondContact O-CA 3.49Å; L279-G283 PolarHBondContact O-N 3.4Å; L279-A288 HydrophobicContact CD2-CB 3.79Å; L279-A288 HydrophobicContact CG-CB 4.01Å; L279-L289 HydrophobicContact CD1-CD2 3.87Å; L279-L289 HydrophobicContact CD2-CD2 3.55Å; L279-L289 HydrophobicContact CD2-CG 3.58Å; L279-L289 HydrophobicContact CG-CD2 4.36Å; L279-Y308 HydrophobicContact CD1-CD1 4.24Å; L279-Y308 HydrophobicContact CD1-CE1 3.94Å |
| 280 | L | 90.8 | Very high | 88.6 | Confident | 154 Ų | 154 | 56.5 Ų | 56.5 | 81% | 0.806 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -64 | -34 | 175.7 | -174.9 | 65.1 | 0 | 0 | 0 | 112.2 | L276 V278 | L276-L280 PolarHBondContact O-N 3.1Å; V278-L280 PolarHBondContact O-N 3.3Å |
| 281 | K | 88 | Confident | 88.5 | Confident | 133 Ų | 133 | 51.6 Ų | 51.6 | 58% | 0.578 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -96.9 | -46.8 | 179.2 | -71.7 | -81 | -166 | 156.8 | 0 | 111.4 | E246 L250 V278 L279 | E246-K281 IonicContact OE2-NZ 2.92Å; E246-K281 PolarHBondContact OE2-NZ 3.48Å; L250-K281 HydrophobicContact CD1-CB 3.59Å; L250-K281 HydrophobicContact CD1-CG 4.4Å; L250-K281 HydrophobicContact CD2-CB 3.84Å; L250-K281 HydrophobicContact CD2-CG 4.02Å; L250-K281 HydrophobicContact CG-CB 4.38Å; V278-K281 PolarHBondContact O-N 2.95Å; V278-K281 VanDerWaalsContact O-N 3.12Å; L279-K281 VanDerWaalsContact C-N 3.26Å; L279-K281 PolarHBondContact O-N 3.5Å |
| 282 | E | 84.1 | Confident | 88.5 | Confident | 56 Ų | 56 | 51.6 Ų | 51.6 | 26% | 0.262 | 25% | 0.25 | S | S | . | . | trans | -109.7 | 75.1 | 178 | -72.4 | 175.8 | -172.4 | 0 | 0 | 111.1 | N247 L250 V278 L279 K284 N285 | N247-E282 PolarHBondContact OD1-OE1 3.16Å; L250-E282 HydrophobicContact CD1-CG 3.66Å; L250-E282 WeakPolarHBondContact CD1-OE1 3.24Å; V278-E282 HydrophobicContact CG1-CB 4.31Å; V278-E282 WeakPolarHBondContact O-CA 3.44Å; V278-E282 PolarHBondContact O-N 2.74Å; L279-E282 CarbonylContact O-C 3.55Å; E282-K284 PolarHBondContact O-N 3.1Å; E282-N285 HydrophobicContact CB-CB 3.99Å; E282-N285 PolarHBondContact O-N 2.88Å; E282-N285 VanDerWaalsContact O-N 3.14Å; E282-N285 PolarHBondContact OE2-ND2 3.21Å | ||
| 283 | G | 80.1 | Confident | 88.3 | Confident | 49 Ų | 49 | 49 Ų | 49 | 51% | 0.505 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -10.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L279 | L279-G283 VanDerWaalsContact O-CA 3.24Å; L279-G283 WeakPolarHBondContact O-CA 3.49Å; L279-G283 PolarHBondContact O-N 3.4Å |
| 284 | K | 79.7 | Confident | 87.9 | Confident | 164 Ų | 164 | 45.4 Ų | 45.4 | 71% | 0.713 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 6.3 | 179.8 | -60.6 | -176.4 | -178.1 | 179 | 0 | 113.7 | E282 F286 | E282-K284 PolarHBondContact O-N 3.1Å; K284-F286 PolarHBondContact O-N 3.33Å; K284-F286 VanDerWaalsContact O-N 3.09Å |
| 285 | N | 83.3 | Confident | 87.7 | Confident | 28 Ų | 28 | 44.5 Ų | 44.5 | 15% | 0.15 | 22% | 0.219 | C | C | . | . | trans | -74.2 | 103.4 | -178.4 | -169.9 | -36 | 0 | 0 | 0 | 111.5 | V278 E282 K287 A288 L289 | V278-N285 HydrophobicContact CG1-CB 4.37Å; E282-N285 HydrophobicContact CB-CB 3.99Å; E282-N285 PolarHBondContact O-N 2.88Å; E282-N285 VanDerWaalsContact O-N 3.14Å; E282-N285 PolarHBondContact OE2-ND2 3.21Å; N285-K287 VanDerWaalsContact C-N 3.27Å; N285-K287 PolarHBondContact O-N 3.09Å; N285-K287 WeakPolarHBondContact OD1-CB 3.49Å; N285-K287 PolarHBondContact OD1-N 3.11Å; N285-A288 HydrophobicContact CB-CB 4.15Å; N285-A288 PolarHBondContact O-N 2.86Å; N285-A288 PolarHBondContact OD1-N 3.44Å; N285-L289 WeakPolarHBondContact O-CG 3.38Å; N285-L289 PolarHBondContact O-N 3.45Å | ||
| 286 | F | 83.6 | Confident | 87.5 | Confident | 56 Ų | 56 | 45.5 Ų | 45.5 | 25% | 0.246 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.7 | -34.6 | -178.7 | 80.6 | -91.6 | 0 | 0 | 0 | 113 | K284 L289 Y290 S312 Q315 E316 | K284-F286 PolarHBondContact O-N 3.33Å; K284-F286 VanDerWaalsContact O-N 3.09Å; F286-L289 PolarHBondContact O-N 2.98Å; F286-Y290 WeakPolarHBondContact O-CB 3.39Å; F286-Y290 PolarHBondContact O-N 3.22Å; F286-S312 PolarHBondContact O-OG 3.31Å; F286-Q315 HydrophobicContact CB-CB 4.37Å; F286-E316 HydrophobicContact CB-CB 4.29Å; F286-E316 VanDerWaalsContact CD2-OE2 3.28Å; F286-E316 WeakPolarHBondContact CD2-OE2 3.12Å; F286-E316 WeakPolarHBondContact CE1-OE2 3.29Å; F286-E316 WeakPolarHBondContact CE2-OE2 3.34Å; F286-E316 HydrophobicContact CG-CB 4.3Å; F286-E316 WeakPolarHBondContact CZ-OE2 3.44Å |
| 287 | K | 85.3 | Confident | 87.2 | Confident | 49 Ų | 49 | 44.9 Ų | 44.9 | 21% | 0.213 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.8 | -42.2 | -179 | -62.6 | 178.8 | -179.9 | 175.2 | 0 | 110.5 | N285 R291 | N285-K287 VanDerWaalsContact C-N 3.27Å; N285-K287 PolarHBondContact O-N 3.09Å; N285-K287 WeakPolarHBondContact OD1-CB 3.49Å; N285-K287 PolarHBondContact OD1-N 3.11Å; K287-R291 WeakPolarHBondContact O-CB 3.48Å; K287-R291 VanDerWaalsContact O-CD 3.31Å; K287-R291 WeakPolarHBondContact O-CD 3.19Å; K287-R291 WeakPolarHBondContact O-CG 3.22Å; K287-R291 PolarHBondContact O-N 3.12Å; K287-R291 VanDerWaalsContact O-N 3.1Å |
| 288 | A | 87.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.3 | -40.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V278 L279 N285 S292 | V278-A288 HydrophobicContact CB-CB 4.1Å; V278-A288 HydrophobicContact CG1-CB 3.88Å; L279-A288 HydrophobicContact CD2-CB 3.79Å; L279-A288 HydrophobicContact CG-CB 4.01Å; N285-A288 HydrophobicContact CB-CB 4.15Å; N285-A288 PolarHBondContact O-N 2.86Å; N285-A288 PolarHBondContact OD1-N 3.44Å; A288-S292 WeakPolarHBondContact O-CB 3.29Å; A288-S292 PolarHBondContact O-N 3.28Å; A288-S292 PolarHBondContact O-OG 2.93Å |
| 289 | L | 89 | Confident | 86.6 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 175.5 | -71.4 | 170.7 | 0 | 0 | 0 | 112.3 | L279 N285 F286 S292 G293 Y308 E311 Q315 | L279-L289 HydrophobicContact CD1-CD2 3.87Å; L279-L289 HydrophobicContact CD2-CD2 3.55Å; L279-L289 HydrophobicContact CD2-CG 3.58Å; L279-L289 HydrophobicContact CG-CD2 4.36Å; N285-L289 WeakPolarHBondContact O-CG 3.38Å; N285-L289 PolarHBondContact O-N 3.45Å; F286-L289 PolarHBondContact O-N 2.98Å; L289-S292 PolarHBondContact O-OG 3.23Å; L289-G293 PolarHBondContact O-N 3.49Å; L289-Y308 HydrophobicContact CD2-CD1 3.73Å; L289-Y308 HydrophobicContact CD2-CE1 4.35Å; L289-E311 HydrophobicContact CD1-CB 4.25Å; L289-E311 HydrophobicContact CD2-CB 4.33Å; L289-Q315 HydrophobicContact CD1-CG 3.99Å |
| 290 | Y | 86.3 | Confident | 86.3 | Confident | 35 Ų | 35 | 49.1 Ų | 49.1 | 14% | 0.137 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.7 | -47.8 | 178.2 | 179.1 | -100 | 0 | 0 | 0 | 111.3 | F286 S292 G293 V294 L309 Q321 | F286-Y290 WeakPolarHBondContact O-CB 3.39Å; F286-Y290 PolarHBondContact O-N 3.22Å; Y290-S292 PolarHBondContact O-N 2.74Å; Y290-G293 PolarHBondContact O-N 3.43Å; Y290-V294 HydrophobicContact CD1-CG2 4.11Å; Y290-V294 HydrophobicContact CE1-CG2 3.8Å; Y290-V294 WeakPolarHBondContact O-CG2 3.25Å; Y290-V294 PolarHBondContact O-N 2.88Å; Y290-L309 HydrophobicContact CD2-CD2 3.5Å; Y290-L309 VanDerWaalsContact CD2-CD2 3.5Å; Y290-L309 HydrophobicContact CE2-CD2 3.9Å; Y290-L309 HydrophobicContact CG-CD2 4.31Å; Y290-Q321 HydrophobicContact CE2-CB 3.85Å |
| 291 | R | 89.8 | Confident | 86.1 | Confident | 30 Ų | 30 | 44 Ų | 44 | 11% | 0.113 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.6 | -37.4 | -179.8 | -70.6 | 168.9 | -177.4 | 175.5 | -5.7 | 112.6 | N254 A258 L261 C275 K287 V294 A295 | N254-R291 VanDerWaalsContact CG-NH1 3.31Å; N254-R291 PolarHBondContact O-NH1 3.49Å; N254-R291 PolarHBondContact OD1-NH1 2.98Å; A258-R291 VanDerWaalsContact CB-CZ 3.49Å; A258-R291 VanDerWaalsContact CB-NH2 3.34Å; L261-R291 HydrophobicContact CD1-CB 4.25Å; L261-R291 HydrophobicContact CD1-CG 3.91Å; C275-R291 VanDerWaalsContact SG-CB 3.56Å; K287-R291 WeakPolarHBondContact O-CB 3.48Å; K287-R291 VanDerWaalsContact O-CD 3.31Å; K287-R291 WeakPolarHBondContact O-CD 3.19Å; K287-R291 WeakPolarHBondContact O-CG 3.22Å; K287-R291 PolarHBondContact O-N 3.12Å; K287-R291 VanDerWaalsContact O-N 3.1Å; R291-V294 PolarHBondContact O-N 3.26Å; R291-A295 WeakPolarHBondContact O-CB 3.24Å; R291-A295 PolarHBondContact O-N 2.89Å |
| 292 | S | 90.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.5 | -42.6 | 173.9 | 65.6 | 0 | 0 | 0 | 0 | 111 | A288 L289 Y290 V294 A295 Y296 | A288-S292 WeakPolarHBondContact O-CB 3.29Å; A288-S292 PolarHBondContact O-N 3.28Å; A288-S292 PolarHBondContact O-OG 2.93Å; L289-S292 PolarHBondContact O-OG 3.23Å; Y290-S292 PolarHBondContact O-N 2.74Å; S292-V294 VanDerWaalsContact C-N 3.34Å; S292-V294 PolarHBondContact O-N 3.41Å; S292-A295 PolarHBondContact O-N 3.42Å; S292-A295 VanDerWaalsContact O-N 3.15Å; S292-Y296 WeakPolarHBondContact O-CD2 3.44Å; S292-Y296 PolarHBondContact O-N 2.94Å |
| 293 | G | 88.8 | Confident | 86 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.8 | -46.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L289 Y290 Y296 Y297 A305 | L289-G293 PolarHBondContact O-N 3.49Å; Y290-G293 PolarHBondContact O-N 3.43Å; G293-Y296 PolarHBondContact O-N 3.33Å; G293-Y297 PolarHBondContact O-N 3.12Å; G293-A305 WeakPolarHBondContact O-CB 3.41Å |
| 294 | V | 86 | Confident | 86.4 | Confident | 14 Ų | 14 | 51.6 Ų | 51.6 | 9% | 0.085 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.8 | -49.1 | 173.8 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | Y290 R291 S292 Y296 Y297 H298 W337 | Y290-V294 HydrophobicContact CD1-CG2 4.11Å; Y290-V294 HydrophobicContact CE1-CG2 3.8Å; Y290-V294 WeakPolarHBondContact O-CG2 3.25Å; Y290-V294 PolarHBondContact O-N 2.88Å; R291-V294 PolarHBondContact O-N 3.26Å; S292-V294 VanDerWaalsContact C-N 3.34Å; S292-V294 PolarHBondContact O-N 3.41Å; V294-Y296 PolarHBondContact O-N 3Å; V294-Y297 WeakPolarHBondContact O-CB 3.41Å; V294-Y297 PolarHBondContact O-N 3.11Å; V294-H298 PolarHBondContact O-CD2 3.49Å; V294-H298 PolarHBondContact O-N 3.11Å; V294-H298 VanDerWaalsContact O-N 3.15Å; V294-W337 HydrophobicContact CB-CH2 3.93Å; V294-W337 HydrophobicContact CB-CZ3 4.14Å; V294-W337 HydrophobicContact CG1-CH2 3.86Å; V294-W337 HydrophobicContact CG1-CZ2 4.41Å; V294-W337 HydrophobicContact CG1-CZ3 3.99Å; V294-W337 HydrophobicContact CG2-CH2 3.29Å; V294-W337 HydrophobicContact CG2-CZ2 4.09Å; V294-W337 HydrophobicContact CG2-CZ3 3.96Å |
| 295 | A | 89.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.4 | -44.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V271 K272 R291 S292 Y297 H298 L299 | V271-A295 HydrophobicContact CB-CB 4.29Å; V271-A295 HydrophobicContact CG1-CB 3.98Å; K272-A295 HydrophobicContact CB-CB 4.1Å; R291-A295 WeakPolarHBondContact O-CB 3.24Å; R291-A295 PolarHBondContact O-N 2.89Å; S292-A295 PolarHBondContact O-N 3.42Å; S292-A295 VanDerWaalsContact O-N 3.15Å; A295-Y297 VanDerWaalsContact C-N 3.3Å; A295-Y297 PolarHBondContact O-N 3.34Å; A295-H298 PolarHBondContact O-N 3.31Å; A295-L299 VanDerWaalsContact O-CG 3.24Å; A295-L299 WeakPolarHBondContact O-CG 3.25Å; A295-L299 PolarHBondContact O-N 3.09Å |
| 296 | Y | 89.4 | Confident | 86.7 | Confident | 22 Ų | 22 | 44.5 Ų | 44.5 | 9% | 0.086 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.7 | -36.5 | 177 | -83.2 | -68 | 0 | 0 | 0 | 112.8 | K272 S292 G293 V294 L299 G300 D301 K304 Y308 | K272-Y296 HydrophobicContact CD-CD1 4.12Å; K272-Y296 HydrophobicContact CD-CE1 3.48Å; K272-Y296 VanDerWaalsContact CD-CE1 3.48Å; K272-Y296 HydrophobicContact CD-CE2 4.2Å; K272-Y296 HydrophobicContact CG-CE1 4.12Å; K272-Y296 HydrophobicContact CG-CE2 3.89Å; S292-Y296 WeakPolarHBondContact O-CD2 3.44Å; S292-Y296 PolarHBondContact O-N 2.94Å; G293-Y296 PolarHBondContact O-N 3.33Å; V294-Y296 PolarHBondContact O-N 3Å; Y296-L299 PolarHBondContact O-N 3.09Å; Y296-G300 PolarHBondContact O-N 3.23Å; Y296-G300 VanDerWaalsContact O-N 3.15Å; Y296-D301 HydrophobicContact CD1-CB 3.99Å; Y296-D301 PolarHBondContact O-N 3.5Å; Y296-K304 HydrophobicContact CD1-CB 4Å; Y296-K304 HydrophobicContact CD1-CD 4.26Å; Y296-K304 HydrophobicContact CD2-CB 4.31Å; Y296-K304 HydrophobicContact CE1-CB 4.23Å; Y296-K304 HydrophobicContact CE1-CD 3.71Å; Y296-K304 HydrophobicContact CG-CB 4.02Å; Y296-Y308 AromaticContact CD2-CD2 3.57Å; Y296-Y308 HydrophobicContact CD2-CD2 3.57Å; Y296-Y308 AromaticContact CD2-CE2 3.67Å; Y296-Y308 HydrophobicContact CD2-CE2 3.67Å; Y296-Y308 AromaticContact CE2-CD2 3.65Å; Y296-Y308 HydrophobicContact CE2-CD2 3.65Å; Y296-Y308 AromaticContact CE2-CE2 3.22Å; Y296-Y308 HydrophobicContact CE2-CE2 3.22Å; Y296-Y308 AromaticContact CZ-CE2 3.98Å |
| 297 | Y | 85.3 | Confident | 87 | Confident | 44 Ų | 44 | 48.1 Ų | 48.1 | 17% | 0.173 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.1 | -46.8 | 175 | 179.1 | -92 | 0 | 0 | 0 | 111.4 | G293 V294 A295 L299 G300 Y302 F325 L335 W337 | G293-Y297 PolarHBondContact O-N 3.12Å; V294-Y297 WeakPolarHBondContact O-CB 3.41Å; V294-Y297 PolarHBondContact O-N 3.11Å; A295-Y297 VanDerWaalsContact C-N 3.3Å; A295-Y297 PolarHBondContact O-N 3.34Å; Y297-L299 VanDerWaalsContact C-N 3.26Å; Y297-L299 PolarHBondContact O-N 3.13Å; Y297-G300 PolarHBondContact O-N 3.15Å; Y297-G300 VanDerWaalsContact O-N 3.08Å; Y297-Y302 AromaticContact CD2-CD1 3.69Å; Y297-Y302 HydrophobicContact CD2-CD1 3.69Å; Y297-Y302 AromaticContact CD2-CE1 3.8Å; Y297-Y302 HydrophobicContact CD2-CE1 3.8Å; Y297-Y302 AromaticContact CE2-CD1 3.91Å; Y297-Y302 HydrophobicContact CE2-CD1 3.91Å; Y297-Y302 AromaticContact CE2-CE1 3.76Å; Y297-Y302 HydrophobicContact CE2-CE1 3.76Å; Y297-Y302 HydrophobicContact CG-CE1 4.44Å; Y297-F325 HydrophobicContact CD2-CE2 4.42Å; Y297-F325 HydrophobicContact CD2-CZ 4.25Å; Y297-L335 PolarHBondContact OH-O 2.92Å; Y297-W337 AromaticContact CD1-CE3 3.76Å; Y297-W337 HydrophobicContact CD1-CE3 3.76Å; Y297-W337 HydrophobicContact CD1-CZ3 4.44Å; Y297-W337 HydrophobicContact CE1-CB 3.85Å; Y297-W337 HydrophobicContact CE1-CE3 4.05Å; Y297-W337 HydrophobicContact CG-CE3 4.16Å; Y297-W337 PolarHBondContact OH-N 3.23Å |
| 298 | H | 83.6 | Confident | 87.1 | Confident | 84 Ų | 84 | 47.7 Ų | 47.7 | 39% | 0.389 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.2 | -21.6 | 177.9 | -74.2 | -73.9 | 0 | 0 | 0 | 113.9 | Y268 V294 A295 G300 | Y268-H298 HydrophobicContact CD1-CB 3.61Å; Y268-H298 AromaticContact CD1-CD2 3.87Å; Y268-H298 AromaticContact CD1-CG 3.9Å; Y268-H298 HydrophobicContact CD2-CB 3.61Å; Y268-H298 HydrophobicContact CE1-CB 3.69Å; Y268-H298 AromaticContact CE1-CD2 3.24Å; Y268-H298 WeakPolarHBondContact CE1-CD2 3.42Å; Y268-H298 AromaticContact CE1-CG 3.45Å; Y268-H298 VanDerWaalsContact CE1-CG 3.45Å; Y268-H298 AromaticContact CE1-NE2 3.94Å; Y268-H298 HydrophobicContact CE2-CB 3.71Å; Y268-H298 AromaticContact CE2-CG 3.82Å; Y268-H298 HydrophobicContact CG-CB 3.56Å; Y268-H298 AromaticContact CZ-CD2 3.57Å; Y268-H298 AromaticContact CZ-CG 3.4Å; Y268-H298 VanDerWaalsContact CZ-CG 3.4Å; Y268-H298 AromaticContact CZ-ND1 3.72Å; Y268-H298 AromaticContact CZ-NE2 4Å; V294-H298 PolarHBondContact O-CD2 3.49Å; V294-H298 PolarHBondContact O-N 3.11Å; V294-H298 VanDerWaalsContact O-N 3.15Å; A295-H298 PolarHBondContact O-N 3.31Å; H298-G300 VanDerWaalsContact C-N 3.31Å |
| 299 | L | 87.6 | Confident | 86.9 | Confident | 66 Ų | 66 | 47.7 Ų | 47.7 | 35% | 0.346 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -5.7 | 172 | -66 | 170.1 | 0 | 0 | 0 | 113.1 | E269 K272 A295 Y296 Y297 | E269-L299 HydrophobicContact CG-CD2 3.64Å; K272-L299 HydrophobicContact CB-CD1 4.26Å; K272-L299 HydrophobicContact CD-CD1 3.81Å; A295-L299 VanDerWaalsContact O-CG 3.24Å; A295-L299 WeakPolarHBondContact O-CG 3.25Å; A295-L299 PolarHBondContact O-N 3.09Å; Y296-L299 PolarHBondContact O-N 3.09Å; Y297-L299 VanDerWaalsContact C-N 3.26Å; Y297-L299 PolarHBondContact O-N 3.13Å |
| 300 | G | 83.8 | Confident | 86.8 | Confident | 38 Ų | 38 | 52 Ų | 52 | 39% | 0.392 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 5.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y296 Y297 H298 Y302 | Y296-G300 PolarHBondContact O-N 3.23Å; Y296-G300 VanDerWaalsContact O-N 3.15Å; Y297-G300 PolarHBondContact O-N 3.15Å; Y297-G300 VanDerWaalsContact O-N 3.08Å; H298-G300 VanDerWaalsContact C-N 3.31Å; G300-Y302 WeakPolarHBondContact O-CD2 3.3Å; G300-Y302 WeakPolarHBondContact O-CE2 3.46Å; G300-Y302 PolarHBondContact O-N 2.72Å |
| 301 | D | 87.6 | Confident | 86.8 | Confident | 47 Ų | 47 | 52.3 Ų | 52.3 | 25% | 0.251 | 24% | 0.242 | S | C | . | . | trans | -91.2 | 78.9 | 174.3 | -170.4 | -21.1 | 0 | 0 | 0 | 109.9 | Y296 Q303 K304 A305 | Y296-D301 HydrophobicContact CD1-CB 3.99Å; Y296-D301 PolarHBondContact O-N 3.5Å; D301-Q303 VanDerWaalsContact C-N 3.3Å; D301-Q303 PolarHBondContact O-N 3.34Å; D301-K304 PolarHBondContact OD1-N 3.45Å; D301-K304 VanDerWaalsContact OD1-N 3.1Å; D301-K304 VanDerWaalsContact OD2-CD 3.28Å; D301-K304 WeakPolarHBondContact OD2-CD 3.48Å; D301-K304 WeakPolarHBondContact OD2-CE 3.16Å; D301-K304 WeakPolarHBondContact OD2-CG 3.45Å; D301-K304 IonicContact OD2-NZ 3.54Å; D301-K304 PolarHBondContact OD2-NZ 3.5Å; D301-A305 WeakPolarHBondContact O-CB 3.46Å; D301-A305 PolarHBondContact O-N 3.48Å | ||
| 302 | Y | 83.9 | Confident | 86.4 | Confident | 144 Ų | 144 | 51.1 Ų | 51.1 | 57% | 0.565 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -67.3 | -28.8 | -175.5 | -55.2 | -67.4 | 0 | 0 | 0 | 113.5 | Y297 G300 L306 | Y297-Y302 AromaticContact CD2-CD1 3.69Å; Y297-Y302 HydrophobicContact CD2-CD1 3.69Å; Y297-Y302 AromaticContact CD2-CE1 3.8Å; Y297-Y302 HydrophobicContact CD2-CE1 3.8Å; Y297-Y302 AromaticContact CE2-CD1 3.91Å; Y297-Y302 HydrophobicContact CE2-CD1 3.91Å; Y297-Y302 AromaticContact CE2-CE1 3.76Å; Y297-Y302 HydrophobicContact CE2-CE1 3.76Å; Y297-Y302 HydrophobicContact CG-CE1 4.44Å; G300-Y302 WeakPolarHBondContact O-CD2 3.3Å; G300-Y302 WeakPolarHBondContact O-CE2 3.46Å; G300-Y302 PolarHBondContact O-N 2.72Å; Y302-L306 WeakPolarHBondContact O-CB 3.2Å; Y302-L306 PolarHBondContact O-N 3.11Å |
| 303 | Q | 85.7 | Confident | 86 | Confident | 157 Ų | 157 | 53.6 Ų | 53.6 | 73% | 0.734 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -66.2 | -49.7 | 179.3 | -69.2 | -65.7 | -25.1 | 0 | 0 | 110.7 | D301 L306 Y307 | D301-Q303 VanDerWaalsContact C-N 3.3Å; D301-Q303 PolarHBondContact O-N 3.34Å; Q303-L306 PolarHBondContact O-N 2.91Å; Q303-Y307 PolarHBondContact O-N 3.38Å; Q303-Y307 VanDerWaalsContact O-N 3.16Å |
| 304 | K | 88.2 | Confident | 85.6 | Confident | 97 Ų | 97 | 60.5 Ų | 60.5 | 42% | 0.422 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68 | -38.8 | 175.8 | -68.1 | -167 | -168.7 | 107.4 | 0 | 112 | Y296 D301 L306 Y307 Y308 | Y296-K304 HydrophobicContact CD1-CB 4Å; Y296-K304 HydrophobicContact CD1-CD 4.26Å; Y296-K304 HydrophobicContact CD2-CB 4.31Å; Y296-K304 HydrophobicContact CE1-CB 4.23Å; Y296-K304 HydrophobicContact CE1-CD 3.71Å; Y296-K304 HydrophobicContact CG-CB 4.02Å; D301-K304 PolarHBondContact OD1-N 3.45Å; D301-K304 VanDerWaalsContact OD1-N 3.1Å; D301-K304 VanDerWaalsContact OD2-CD 3.28Å; D301-K304 WeakPolarHBondContact OD2-CD 3.48Å; D301-K304 WeakPolarHBondContact OD2-CE 3.16Å; D301-K304 WeakPolarHBondContact OD2-CG 3.45Å; D301-K304 IonicContact OD2-NZ 3.54Å; D301-K304 PolarHBondContact OD2-NZ 3.5Å; K304-L306 VanDerWaalsContact C-N 3.31Å; K304-L306 PolarHBondContact O-N 2.96Å; K304-Y307 WeakPolarHBondContact O-CB 3.32Å; K304-Y307 PolarHBondContact O-N 3.11Å; K304-Y308 HydrophobicContact CB-CD2 4.36Å; K304-Y308 HydrophobicContact CB-CE2 4.26Å; K304-Y308 WeakPolarHBondContact O-CD2 3.14Å; K304-Y308 PolarHBondContact O-N 3.21Å |
| 305 | A | 85.5 | Confident | 85.2 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.5 | -48.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G293 D301 Y307 Y308 L309 | G293-A305 WeakPolarHBondContact O-CB 3.41Å; D301-A305 WeakPolarHBondContact O-CB 3.46Å; D301-A305 PolarHBondContact O-N 3.48Å; A305-Y307 PolarHBondContact O-N 2.86Å; A305-Y308 PolarHBondContact O-N 3.21Å; A305-L309 WeakPolarHBondContact O-CB 3.41Å; A305-L309 WeakPolarHBondContact O-CD1 3.31Å; A305-L309 VanDerWaalsContact O-CG 3.28Å; A305-L309 WeakPolarHBondContact O-CG 3.31Å; A305-L309 PolarHBondContact O-N 3.06Å |
| 306 | L | 84.8 | Confident | 84.3 | Confident | 41 Ų | 41 | 66.5 Ų | 66.5 | 22% | 0.215 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63 | -41.8 | 178.1 | -176.2 | 59.1 | 0 | 0 | 0 | 112.2 | Y302 Q303 K304 L309 K310 L326 V329 | Y302-L306 WeakPolarHBondContact O-CB 3.2Å; Y302-L306 PolarHBondContact O-N 3.11Å; Q303-L306 PolarHBondContact O-N 2.91Å; K304-L306 VanDerWaalsContact C-N 3.31Å; K304-L306 PolarHBondContact O-N 2.96Å; L306-L309 PolarHBondContact O-N 2.82Å; L306-K310 HydrophobicContact CD1-CD 4.42Å; L306-K310 HydrophobicContact CD1-CG 4.33Å; L306-K310 HydrophobicContact CG-CD 4.25Å; L306-K310 WeakPolarHBondContact O-CB 3.37Å; L306-K310 VanDerWaalsContact O-CG 3.3Å; L306-K310 WeakPolarHBondContact O-CG 3.48Å; L306-K310 PolarHBondContact O-N 3.42Å; L306-L326 HydrophobicContact CD1-CD2 3.96Å; L306-V329 HydrophobicContact CD1-CB 4.26Å; L306-V329 HydrophobicContact CD1-CG1 3.79Å; L306-V329 HydrophobicContact CD2-CG1 4.26Å |
| 307 | Y | 88.8 | Confident | 82.8 | Confident | 132 Ų | 132 | 69.7 Ų | 69.7 | 52% | 0.518 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.9 | -53.9 | 176.2 | 174 | -98.2 | 0 | 0 | 0 | 111.6 | Q303 K304 A305 L309 K310 E311 | Q303-Y307 PolarHBondContact O-N 3.38Å; Q303-Y307 VanDerWaalsContact O-N 3.16Å; K304-Y307 WeakPolarHBondContact O-CB 3.32Å; K304-Y307 PolarHBondContact O-N 3.11Å; A305-Y307 PolarHBondContact O-N 2.86Å; Y307-L309 VanDerWaalsContact C-N 3.31Å; Y307-L309 PolarHBondContact O-N 2.66Å; Y307-K310 PolarHBondContact O-N 3.07Å; Y307-E311 HydrophobicContact CD1-CG 4.47Å; Y307-E311 HydrophobicContact CD2-CG 4.43Å; Y307-E311 HydrophobicContact CE1-CG 4.07Å; Y307-E311 HydrophobicContact CE2-CG 4.03Å; Y307-E311 WeakPolarHBondContact O-CG 3.38Å; Y307-E311 PolarHBondContact O-N 3.48Å |
| 308 | Y | 87.8 | Confident | 81.2 | Confident | 41 Ų | 41 | 71.9 Ų | 71.9 | 16% | 0.161 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64 | -34.7 | -177.9 | -75.2 | -64.1 | 0 | 0 | 0 | 113.2 | L276 L279 L289 Y296 K304 A305 E311 S312 | L276-Y308 WeakPolarHBondContact CD2-OH 3.44Å; L279-Y308 HydrophobicContact CD1-CD1 4.24Å; L279-Y308 HydrophobicContact CD1-CE1 3.94Å; L289-Y308 HydrophobicContact CD2-CD1 3.73Å; L289-Y308 HydrophobicContact CD2-CE1 4.35Å; Y296-Y308 AromaticContact CD2-CD2 3.57Å; Y296-Y308 HydrophobicContact CD2-CD2 3.57Å; Y296-Y308 AromaticContact CD2-CE2 3.67Å; Y296-Y308 HydrophobicContact CD2-CE2 3.67Å; Y296-Y308 AromaticContact CE2-CD2 3.65Å; Y296-Y308 HydrophobicContact CE2-CD2 3.65Å; Y296-Y308 AromaticContact CE2-CE2 3.22Å; Y296-Y308 HydrophobicContact CE2-CE2 3.22Å; Y296-Y308 AromaticContact CZ-CE2 3.98Å; K304-Y308 HydrophobicContact CB-CD2 4.36Å; K304-Y308 HydrophobicContact CB-CE2 4.26Å; K304-Y308 WeakPolarHBondContact O-CD2 3.14Å; K304-Y308 PolarHBondContact O-N 3.21Å; A305-Y308 PolarHBondContact O-N 3.21Å; Y308-E311 PolarHBondContact O-N 2.81Å; Y308-S312 WeakPolarHBondContact O-CB 3.42Å; Y308-S312 PolarHBondContact O-N 2.99Å |
| 309 | L | 84.6 | Confident | 80 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -73.9 | -35.2 | 178.5 | -68.3 | 162 | 0 | 0 | 0 | 112 | Y290 A305 L306 Y307 S312 H313 F325 | Y290-L309 HydrophobicContact CD2-CD2 3.5Å; Y290-L309 VanDerWaalsContact CD2-CD2 3.5Å; Y290-L309 HydrophobicContact CE2-CD2 3.9Å; Y290-L309 HydrophobicContact CG-CD2 4.31Å; A305-L309 WeakPolarHBondContact O-CB 3.41Å; A305-L309 WeakPolarHBondContact O-CD1 3.31Å; A305-L309 VanDerWaalsContact O-CG 3.28Å; A305-L309 WeakPolarHBondContact O-CG 3.31Å; A305-L309 PolarHBondContact O-N 3.06Å; L306-L309 PolarHBondContact O-N 2.82Å; Y307-L309 VanDerWaalsContact C-N 3.31Å; Y307-L309 PolarHBondContact O-N 2.66Å; L309-S312 PolarHBondContact O-N 3.45Å; L309-H313 PolarHBondContact O-N 2.95Å; L309-F325 HydrophobicContact CB-CD1 3.97Å; L309-F325 HydrophobicContact CB-CE1 4.18Å; L309-F325 HydrophobicContact CD1-CD1 3.36Å; L309-F325 HydrophobicContact CD1-CD2 4.11Å; L309-F325 HydrophobicContact CD1-CE1 3.06Å; L309-F325 HydrophobicContact CD1-CE2 3.86Å; L309-F325 HydrophobicContact CD1-CG 3.87Å; L309-F325 HydrophobicContact CD1-CZ 3.34Å; L309-F325 HydrophobicContact CG-CD1 4.13Å; L309-F325 HydrophobicContact CG-CE1 4.16Å |
| 310 | K | 85.2 | Confident | 78.6 | Confident | 99 Ų | 99 | 72.5 Ų | 72.5 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.8 | -48.4 | 169.2 | -77 | -179.5 | 178 | 178.8 | 0 | 111.4 | L306 Y307 S312 H313 K314 L326 | L306-K310 HydrophobicContact CD1-CD 4.42Å; L306-K310 HydrophobicContact CD1-CG 4.33Å; L306-K310 HydrophobicContact CG-CD 4.25Å; L306-K310 WeakPolarHBondContact O-CB 3.37Å; L306-K310 VanDerWaalsContact O-CG 3.3Å; L306-K310 WeakPolarHBondContact O-CG 3.48Å; L306-K310 PolarHBondContact O-N 3.42Å; Y307-K310 PolarHBondContact O-N 3.07Å; K310-S312 VanDerWaalsContact C-N 3.33Å; K310-S312 PolarHBondContact O-N 3.48Å; K310-H313 PolarHBondContact O-N 3.23Å; K310-K314 WeakPolarHBondContact O-CG 3.31Å; K310-K314 PolarHBondContact O-N 3.11Å; K310-L326 HydrophobicContact CB-CD2 4.45Å; K310-L326 HydrophobicContact CD-CD2 4.36Å; K310-L326 HydrophobicContact CG-CD2 3.38Å |
| 311 | E | 86.4 | Confident | 77.4 | Confident | 42 Ų | 42 | 73 Ų | 73 | 20% | 0.196 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 178.7 | -67.9 | -54.8 | 111.9 | 0 | 0 | 111.3 | L289 Y307 Y308 H313 K314 Q315 | L289-E311 HydrophobicContact CD1-CB 4.25Å; L289-E311 HydrophobicContact CD2-CB 4.33Å; Y307-E311 HydrophobicContact CD1-CG 4.47Å; Y307-E311 HydrophobicContact CD2-CG 4.43Å; Y307-E311 HydrophobicContact CE1-CG 4.07Å; Y307-E311 HydrophobicContact CE2-CG 4.03Å; Y307-E311 WeakPolarHBondContact O-CG 3.38Å; Y307-E311 PolarHBondContact O-N 3.48Å; Y308-E311 PolarHBondContact O-N 2.81Å; E311-H313 VanDerWaalsContact C-N 3.29Å; E311-H313 PolarHBondContact O-N 3.39Å; E311-K314 PolarHBondContact O-N 3.21Å; E311-K314 WeakPolarHBondContact OE1-CE 3.49Å; E311-K314 IonicContact OE1-NZ 3.92Å; E311-K314 PolarHBondContact OE1-NZ 3.47Å; E311-Q315 WeakPolarHBondContact O-CG 3.43Å; E311-Q315 PolarHBondContact O-N 2.96Å; E311-Q315 VanDerWaalsContact O-N 3.16Å |
| 312 | S | 82.9 | Confident | 76 | Confident | 4 Ų | 4 | 70.9 Ų | 70.9 | 3% | 0.028 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.2 | -40.5 | 174 | -175.9 | 0 | 0 | 0 | 0 | 112.5 | F286 Y308 L309 K310 Q315 E316 | F286-S312 PolarHBondContact O-OG 3.31Å; Y308-S312 WeakPolarHBondContact O-CB 3.42Å; Y308-S312 PolarHBondContact O-N 2.99Å; L309-S312 PolarHBondContact O-N 3.45Å; K310-S312 VanDerWaalsContact C-N 3.33Å; K310-S312 PolarHBondContact O-N 3.48Å; S312-Q315 PolarHBondContact O-N 3.01Å; S312-E316 PolarHBondContact O-N 3.44Å; S312-E316 VanDerWaalsContact O-N 3.09Å |
| 313 | H | 80.8 | Confident | 74.8 | Confident | 53 Ų | 53 | 65.7 Ų | 65.7 | 25% | 0.245 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.3 | -34.9 | 179.7 | -173.6 | 62.8 | 0 | 0 | 0 | 112.8 | L309 K310 E311 Q315 E316 P317 S322 L326 | L309-H313 PolarHBondContact O-N 2.95Å; K310-H313 PolarHBondContact O-N 3.23Å; E311-H313 VanDerWaalsContact C-N 3.29Å; E311-H313 PolarHBondContact O-N 3.39Å; H313-Q315 VanDerWaalsContact C-N 3.32Å; H313-E316 CarbonylContact O-C 3.23Å; H313-E316 VanDerWaalsContact O-C 3.23Å; H313-P317 VanDerWaalsContact O-CA 3.31Å; H313-P317 WeakPolarHBondContact O-CA 3.49Å; H313-P317 VanDerWaalsContact O-N 3.09Å; H313-S322 PolarHBondContact ND1-OG 3.02Å; H313-S322 VanDerWaalsContact ND1-OG 3.16Å; H313-L326 HydrophobicContact CB-CD1 3.46Å; H313-L326 VanDerWaalsContact CB-CD1 3.46Å |
| 314 | K | 81.1 | Confident | 73.6 | Confident | 145 Ų | 145 | 61.5 Ų | 61.5 | 63% | 0.63 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64.1 | -37.8 | 174 | -69.9 | 174.7 | -176.2 | 172.6 | 0 | 112.1 | K310 E311 | K310-K314 WeakPolarHBondContact O-CG 3.31Å; K310-K314 PolarHBondContact O-N 3.11Å; E311-K314 PolarHBondContact O-N 3.21Å; E311-K314 WeakPolarHBondContact OE1-CE 3.49Å; E311-K314 IonicContact OE1-NZ 3.92Å; E311-K314 PolarHBondContact OE1-NZ 3.47Å |
| 315 | Q | 77.3 | Confident | 72.3 | Confident | 84 Ų | 84 | 57.6 Ų | 57.6 | 39% | 0.393 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -72.9 | -41.7 | 178.9 | -61.7 | -60.2 | -18.7 | 0 | 0 | 111.8 | F286 L289 E311 S312 H313 | F286-Q315 HydrophobicContact CB-CB 4.37Å; L289-Q315 HydrophobicContact CD1-CG 3.99Å; E311-Q315 WeakPolarHBondContact O-CG 3.43Å; E311-Q315 PolarHBondContact O-N 2.96Å; E311-Q315 VanDerWaalsContact O-N 3.16Å; S312-Q315 PolarHBondContact O-N 3.01Å; H313-Q315 VanDerWaalsContact C-N 3.32Å |
| 316 | E | 69.9 | Low | 71.3 | Confident | 55 Ų | 55 | 59.4 Ų | 59.4 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | trans | -134.1 | 89.1 | 176.7 | -161.6 | -164.1 | 146.3 | 0 | 0 | 111.4 | F286 S312 H313 S318 G319 | F286-E316 HydrophobicContact CB-CB 4.29Å; F286-E316 VanDerWaalsContact CD2-OE2 3.28Å; F286-E316 WeakPolarHBondContact CD2-OE2 3.12Å; F286-E316 WeakPolarHBondContact CE1-OE2 3.29Å; F286-E316 WeakPolarHBondContact CE2-OE2 3.34Å; F286-E316 HydrophobicContact CG-CB 4.3Å; F286-E316 WeakPolarHBondContact CZ-OE2 3.44Å; S312-E316 PolarHBondContact O-N 3.44Å; S312-E316 VanDerWaalsContact O-N 3.09Å; H313-E316 CarbonylContact O-C 3.23Å; H313-E316 VanDerWaalsContact O-C 3.23Å; E316-S318 VanDerWaalsContact CG-OG 3.23Å; E316-S318 WeakPolarHBondContact CG-OG 3.39Å; E316-S318 PolarHBondContact O-N 3.47Å; E316-S318 PolarHBondContact OE1-OG 2.97Å; E316-G319 PolarHBondContact O-N 3.39Å; E316-G319 VanDerWaalsContact O-N 3.15Å | ||
| 317 | P | 59.1 | Low | 70.2 | Confident | 89 Ų | 89 | 64.3 Ų | 64.3 | 58% | 0.578 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -15.9 | 178.6 | 24.7 | -31.1 | 0 | 0 | 0 | 113.2 | H313 G319 | H313-P317 VanDerWaalsContact O-CA 3.31Å; H313-P317 WeakPolarHBondContact O-CA 3.49Å; H313-P317 VanDerWaalsContact O-N 3.09Å; P317-G319 PolarHBondContact O-N 3.35Å |
| 318 | S | 50.6 | Low | 68.5 | Low | 90 Ų | 90 | 65.5 Ų | 65.5 | 63% | 0.629 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -15.5 | 170.4 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | E316 Q320 | E316-S318 VanDerWaalsContact CG-OG 3.23Å; E316-S318 WeakPolarHBondContact CG-OG 3.39Å; E316-S318 PolarHBondContact O-N 3.47Å; E316-S318 PolarHBondContact OE1-OG 2.97Å; S318-Q320 PolarHBondContact O-N 2.85Å |
| 319 | G | 58.6 | Low | 67 | Low | 16 Ų | 16 | 66 Ų | 66 | 17% | 0.165 | 33% | 0.331 | C | S | . | . | trans | -67.1 | 93.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | E316 P317 Q321 S322 A323 | E316-G319 PolarHBondContact O-N 3.39Å; E316-G319 VanDerWaalsContact O-N 3.15Å; P317-G319 PolarHBondContact O-N 3.35Å; G319-Q321 PolarHBondContact O-N 3.46Å; G319-S322 PolarHBondContact O-N 2.88Å; G319-S322 PolarHBondContact O-OG 3.3Å; G319-S322 VanDerWaalsContact O-OG 3.05Å; G319-A323 PolarHBondContact O-N 2.9Å | ||
| 320 | Q | 58.2 | Low | 65.5 | Low | 148 Ų | 148 | 69.3 Ų | 69.3 | 69% | 0.692 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -48.7 | -33.1 | 179.7 | -72.2 | 177.9 | -1.9 | 0 | 0 | 112.4 | S318 L324 | S318-Q320 PolarHBondContact O-N 2.85Å; Q320-L324 VanDerWaalsContact O-CB 3.24Å; Q320-L324 WeakPolarHBondContact O-CB 3.11Å; Q320-L324 WeakPolarHBondContact O-CD1 3.44Å; Q320-L324 WeakPolarHBondContact O-CG 3.28Å; Q320-L324 PolarHBondContact O-N 2.92Å |
| 321 | Q | 59 | Low | 64 | Low | 47 Ų | 47 | 73.6 Ų | 73.6 | 22% | 0.22 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -71.3 | -39.8 | -175.2 | -55.6 | -60.3 | -6.9 | 0 | 0 | 114.5 | F5 Y290 G319 F325 | F5-Q321 HydrophobicContact CZ-CG 4.41Å; Y290-Q321 HydrophobicContact CE2-CB 3.85Å; G319-Q321 PolarHBondContact O-N 3.46Å; Q321-F325 WeakPolarHBondContact O-CB 3.48Å; Q321-F325 PolarHBondContact O-N 3.16Å |
| 322 | S | 58 | Low | 62.1 | Low | 4 Ų | 4 | 77.8 Ų | 77.8 | 3% | 0.028 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -72.7 | -39.2 | 178.2 | 61.2 | 0 | 0 | 0 | 0 | 110.6 | H313 G319 F325 L326 | H313-S322 PolarHBondContact ND1-OG 3.02Å; H313-S322 VanDerWaalsContact ND1-OG 3.16Å; G319-S322 PolarHBondContact O-N 2.88Å; G319-S322 PolarHBondContact O-OG 3.3Å; G319-S322 VanDerWaalsContact O-OG 3.05Å; S322-F325 PolarHBondContact O-N 3.24Å; S322-L326 WeakPolarHBondContact O-CB 3.2Å; S322-L326 WeakPolarHBondContact O-CD1 3.04Å; S322-L326 WeakPolarHBondContact O-CG 3.32Å; S322-L326 PolarHBondContact O-N 3.48Å |
| 323 | A | 58.9 | Low | 60.6 | Low | 34 Ų | 34 | 81.7 Ų | 81.7 | 28% | 0.281 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G319 L326 K327 | G319-A323 PolarHBondContact O-N 2.9Å; A323-L326 PolarHBondContact O-N 2.76Å; A323-K327 WeakPolarHBondContact O-CB 3.38Å; A323-K327 PolarHBondContact O-N 2.78Å |
| 324 | L | 60.4 | Low | 59.4 | Low | 70 Ų | 70 | 83.5 Ų | 83.5 | 37% | 0.366 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.8 | -55.1 | 174.1 | -76.3 | 170.7 | 0 | 0 | 0 | 109.3 | Q320 L326 K327 W328 M340 | Q320-L324 VanDerWaalsContact O-CB 3.24Å; Q320-L324 WeakPolarHBondContact O-CB 3.11Å; Q320-L324 WeakPolarHBondContact O-CD1 3.44Å; Q320-L324 WeakPolarHBondContact O-CG 3.28Å; Q320-L324 PolarHBondContact O-N 2.92Å; L324-L326 VanDerWaalsContact C-N 3.32Å; L324-L326 PolarHBondContact O-N 3.07Å; L324-K327 WeakPolarHBondContact O-CB 3.11Å; L324-K327 PolarHBondContact O-N 3.15Å; L324-K327 VanDerWaalsContact O-N 3.08Å; L324-W328 PolarHBondContact O-N 2.67Å; L324-W328 VanDerWaalsContact O-N 3.11Å; L324-M340 HydrophobicContact CB-CE 3.66Å; L324-M340 HydrophobicContact CB-SD 4.46Å |
| 325 | F | 61.4 | Low | 57.9 | Low | 15 Ų | 15 | 83.9 Ų | 83.9 | 7% | 0.066 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -54.3 | -45.2 | -179.8 | -176.1 | -86.2 | 0 | 0 | 0 | 113.2 | Y297 L309 Q321 S322 K327 W328 V329 W337 | Y297-F325 HydrophobicContact CD2-CE2 4.42Å; Y297-F325 HydrophobicContact CD2-CZ 4.25Å; L309-F325 HydrophobicContact CB-CD1 3.97Å; L309-F325 HydrophobicContact CB-CE1 4.18Å; L309-F325 HydrophobicContact CD1-CD1 3.36Å; L309-F325 HydrophobicContact CD1-CD2 4.11Å; L309-F325 HydrophobicContact CD1-CE1 3.06Å; L309-F325 HydrophobicContact CD1-CE2 3.86Å; L309-F325 HydrophobicContact CD1-CG 3.87Å; L309-F325 HydrophobicContact CD1-CZ 3.34Å; L309-F325 HydrophobicContact CG-CD1 4.13Å; L309-F325 HydrophobicContact CG-CE1 4.16Å; Q321-F325 WeakPolarHBondContact O-CB 3.48Å; Q321-F325 PolarHBondContact O-N 3.16Å; S322-F325 PolarHBondContact O-N 3.24Å; F325-K327 VanDerWaalsContact C-N 3.34Å; F325-K327 PolarHBondContact O-N 3.46Å; F325-W328 PolarHBondContact O-N 2.74Å; F325-W328 VanDerWaalsContact O-N 3.13Å; F325-V329 HydrophobicContact CD1-CG2 3.86Å; F325-V329 HydrophobicContact CE1-CB 4.43Å; F325-V329 HydrophobicContact CE1-CG2 3.27Å; F325-V329 HydrophobicContact CE2-CG2 4.31Å; F325-V329 HydrophobicContact CZ-CG2 3.55Å; F325-V329 PolarHBondContact O-N 2.7Å; F325-W337 HydrophobicContact CD2-CE3 4.18Å; F325-W337 HydrophobicContact CD2-CH2 4.1Å; F325-W337 AromaticContact CD2-CZ3 3.85Å; F325-W337 HydrophobicContact CD2-CZ3 3.85Å; F325-W337 AromaticContact CE2-CE3 3.78Å; F325-W337 HydrophobicContact CE2-CE3 3.78Å; F325-W337 HydrophobicContact CE2-CH2 4.3Å; F325-W337 AromaticContact CE2-CZ3 3.59Å; F325-W337 HydrophobicContact CE2-CZ3 3.59Å |
| 326 | L | 63.3 | Low | 56.6 | Low | 38 Ų | 38 | 83.1 Ų | 83.1 | 20% | 0.199 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 178.2 | -78.2 | 160.5 | 0 | 0 | 0 | 113 | L306 K310 H313 S322 A323 L324 W328 G330 | L306-L326 HydrophobicContact CD1-CD2 3.96Å; K310-L326 HydrophobicContact CB-CD2 4.45Å; K310-L326 HydrophobicContact CD-CD2 4.36Å; K310-L326 HydrophobicContact CG-CD2 3.38Å; H313-L326 HydrophobicContact CB-CD1 3.46Å; H313-L326 VanDerWaalsContact CB-CD1 3.46Å; S322-L326 WeakPolarHBondContact O-CB 3.2Å; S322-L326 WeakPolarHBondContact O-CD1 3.04Å; S322-L326 WeakPolarHBondContact O-CG 3.32Å; S322-L326 PolarHBondContact O-N 3.48Å; A323-L326 PolarHBondContact O-N 2.76Å; L324-L326 VanDerWaalsContact C-N 3.32Å; L324-L326 PolarHBondContact O-N 3.07Å; L326-W328 PolarHBondContact O-N 3.37Å; L326-G330 PolarHBondContact O-N 3.21Å; L326-G330 VanDerWaalsContact O-N 3.08Å |
| 327 | K | 61.7 | Low | 55.4 | Low | 144 Ų | 144 | 82.4 Ų | 82.4 | 63% | 0.626 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.9 | -30.9 | 175 | -170.9 | 178.2 | -179.8 | 178.8 | 0 | 112.2 | A323 L324 F325 | A323-K327 WeakPolarHBondContact O-CB 3.38Å; A323-K327 PolarHBondContact O-N 2.78Å; L324-K327 WeakPolarHBondContact O-CB 3.11Å; L324-K327 PolarHBondContact O-N 3.15Å; L324-K327 VanDerWaalsContact O-N 3.08Å; F325-K327 VanDerWaalsContact C-N 3.34Å; F325-K327 PolarHBondContact O-N 3.46Å |
| 328 | W | 54.5 | Low | 54.7 | Low | 157 Ų | 157 | 81.8 Ų | 81.8 | 60% | 0.595 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -79.8 | -44.2 | 177.3 | -75.5 | 99.6 | 0 | 0 | 0 | 112.9 | L324 F325 L326 G330 R331 M340 | L324-W328 PolarHBondContact O-N 2.67Å; L324-W328 VanDerWaalsContact O-N 3.11Å; F325-W328 PolarHBondContact O-N 2.74Å; F325-W328 VanDerWaalsContact O-N 3.13Å; L326-W328 PolarHBondContact O-N 3.37Å; W328-G330 PolarHBondContact O-N 3.08Å; W328-R331 PolarHBondContact O-N 3.24Å; W328-R331 VanDerWaalsContact O-N 3.12Å; W328-M340 HydrophobicContact CG-CE 3.95Å |
| 329 | V | 55.9 | Low | 54.2 | Low | 53 Ų | 53 | 80.1 Ų | 80.1 | 32% | 0.321 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.3 | -31 | 176.4 | 176.2 | 0 | 0 | 0 | 0 | 112.1 | L306 F325 R331 | L306-V329 HydrophobicContact CD1-CB 4.26Å; L306-V329 HydrophobicContact CD1-CG1 3.79Å; L306-V329 HydrophobicContact CD2-CG1 4.26Å; F325-V329 HydrophobicContact CD1-CG2 3.86Å; F325-V329 HydrophobicContact CE1-CB 4.43Å; F325-V329 HydrophobicContact CE1-CG2 3.27Å; F325-V329 HydrophobicContact CE2-CG2 4.31Å; F325-V329 HydrophobicContact CZ-CG2 3.55Å; F325-V329 PolarHBondContact O-N 2.7Å; V329-R331 VanDerWaalsContact C-N 3.27Å; V329-R331 PolarHBondContact O-N 3.43Å |
| 330 | G | 52.4 | Low | 53.4 | Low | 69 Ų | 69 | 81.3 Ų | 81.3 | 71% | 0.711 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -13.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L326 W328 | L326-G330 PolarHBondContact O-N 3.21Å; L326-G330 VanDerWaalsContact O-N 3.08Å; W328-G330 PolarHBondContact O-N 3.08Å |
| 331 | R | 53.6 | Low | 52.6 | Low | 189 Ų | 189 | 78.2 Ų | 78.2 | 71% | 0.713 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -31.9 | -174.3 | -95.9 | 178 | 82.6 | 165.6 | 3.6 | 115.2 | W328 V329 | W328-R331 PolarHBondContact O-N 3.24Å; W328-R331 VanDerWaalsContact O-N 3.12Å; V329-R331 VanDerWaalsContact C-N 3.27Å; V329-R331 PolarHBondContact O-N 3.43Å |
| 332 | D | 47.5 | Very low | 51.7 | Low | 129 Ų | 129 | 83.8 Ų | 83.8 | 69% | 0.69 | 46% | 0.461 | S | S | * | . | trans | -165.4 | 121.8 | 170.5 | -86.2 | -46.7 | 0 | 0 | 0 | 108.2 | S334 | D332-S334 PolarHBondContact O-N 3.21Š| ||
| 333 | G | 51 | Low | 50.5 | Low | 87 Ų | 87 | 86.2 Ų | 86.2 | 90% | 0.897 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -67.4 | 23.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 334 | S | 55.8 | Low | 49.6 | Very low | 90 Ų | 90 | 88.1 Ų | 88.1 | 63% | 0.629 | 50% | 0.503 | S | S | * | . | trans | -158.3 | 100.2 | -174.4 | 151.9 | 0 | 0 | 0 | 0 | 107.8 | D332 | D332-S334 PolarHBondContact O-N 3.21Š| ||
| 335 | L | 48.2 | Very low | 48.4 | Very low | 154 Ų | 154 | 90 Ų | 90 | 81% | 0.806 | 52% | 0.522 | S | S | * | . | trans | 176.5 | 150.2 | 143.5 | -90.6 | 164.8 | 0 | 0 | 0 | 110.1 | Y297 | Y297-L335 PolarHBondContact OH-O 2.92Š| ||
| 336 | P | 50.1 | Low | 46.9 | Very low | 68 Ų | 68 | 99 Ų | 99 | 44% | 0.442 | 58% | 0.578 | S | S | . | * | trans | -81.4 | 135.3 | -162.4 | 30 | -32.4 | 0 | 0 | 0 | 113.4 | T338 A339 | P336-T338 HydrophobicContact CB-CG2 4.47Å; P336-T338 PolarHBondContact O-N 2.78Å; P336-T338 PolarHBondContact O-OG1 3.12Å; P336-A339 PolarHBondContact O-N 3.29Å | ||
| 337 | W | 45.2 | Very low | 46 | Very low | 40 Ų | 40 | 102.1 Ų | 102.1 | 15% | 0.152 | 60% | 0.597 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -37.1 | -30.4 | 172.9 | -167.3 | -47.4 | 0 | 0 | 0 | 114.6 | V294 Y297 F325 A339 M340 | V294-W337 HydrophobicContact CB-CH2 3.93Å; V294-W337 HydrophobicContact CB-CZ3 4.14Å; V294-W337 HydrophobicContact CG1-CH2 3.86Å; V294-W337 HydrophobicContact CG1-CZ2 4.41Å; V294-W337 HydrophobicContact CG1-CZ3 3.99Å; V294-W337 HydrophobicContact CG2-CH2 3.29Å; V294-W337 HydrophobicContact CG2-CZ2 4.09Å; V294-W337 HydrophobicContact CG2-CZ3 3.96Å; Y297-W337 AromaticContact CD1-CE3 3.76Å; Y297-W337 HydrophobicContact CD1-CE3 3.76Å; Y297-W337 HydrophobicContact CD1-CZ3 4.44Å; Y297-W337 HydrophobicContact CE1-CB 3.85Å; Y297-W337 HydrophobicContact CE1-CE3 4.05Å; Y297-W337 HydrophobicContact CG-CE3 4.16Å; Y297-W337 PolarHBondContact OH-N 3.23Å; F325-W337 HydrophobicContact CD2-CE3 4.18Å; F325-W337 HydrophobicContact CD2-CH2 4.1Å; F325-W337 AromaticContact CD2-CZ3 3.85Å; F325-W337 HydrophobicContact CD2-CZ3 3.85Å; F325-W337 AromaticContact CE2-CE3 3.78Å; F325-W337 HydrophobicContact CE2-CE3 3.78Å; F325-W337 HydrophobicContact CE2-CH2 4.3Å; F325-W337 AromaticContact CE2-CZ3 3.59Å; F325-W337 HydrophobicContact CE2-CZ3 3.59Å; W337-A339 PolarHBondContact O-N 3.1Å; W337-M340 PolarHBondContact O-N 3.14Å |
| 338 | T | 44.7 | Very low | 45.2 | Very low | 75 Ų | 75 | 99.8 Ų | 99.8 | 46% | 0.46 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -44.7 | -27.4 | 176.4 | 63 | 0 | 0 | 0 | 0 | 115.5 | P336 R342 | P336-T338 HydrophobicContact CB-CG2 4.47Å; P336-T338 PolarHBondContact O-N 2.78Å; P336-T338 PolarHBondContact O-OG1 3.12Å; T338-R342 PolarHBondContact O-NE 3.01Å; T338-R342 VanDerWaalsContact O-NE 3.17Å; T338-R342 PolarHBondContact O-NH2 2.78Å; T338-R342 PolarHBondContact OG1-NH2 3.2Å |
| 339 | A | 39.3 | Very low | 44.7 | Very low | 56 Ų | 56 | 96.7 Ų | 96.7 | 46% | 0.463 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -75 | -31.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | P336 W337 R342 G343 | P336-A339 PolarHBondContact O-N 3.29Å; W337-A339 PolarHBondContact O-N 3.1Å; A339-R342 PolarHBondContact O-N 3.28Å; A339-G343 PolarHBondContact O-N 3.39Å; A339-G343 VanDerWaalsContact O-N 3.1Å |
| 340 | M | 41.6 | Very low | 44.1 | Very low | 41 Ų | 41 | 99.2 Ų | 99.2 | 20% | 0.202 | 61% | 0.612 | C | S | . | * | H | α-helix | trans | -72.3 | -33.6 | 179.6 | -178.4 | -178.5 | -85.3 | 0 | 0 | 112.3 | L324 W328 W337 R342 G343 | L324-M340 HydrophobicContact CB-CE 3.66Å; L324-M340 HydrophobicContact CB-SD 4.46Å; W328-M340 HydrophobicContact CG-CE 3.95Å; W337-M340 PolarHBondContact O-N 3.14Å; M340-R342 PolarHBondContact O-N 2.82Å; M340-G343 PolarHBondContact O-N 2.94Å |
| 341 | I | 42.3 | Very low | 43.5 | Very low | 83 Ų | 83 | 101.1 Ų | 101.1 | 43% | 0.426 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.3 | -26.8 | 172.3 | -63 | -164.4 | 0 | 0 | 0 | 111.3 | V16 | V16-I341 HydrophobicContact CG2-CG2 3.85Å |
| 342 | R | 40.5 | Very low | 42.9 | Very low | 163 Ų | 163 | 95.3 Ų | 95.3 | 62% | 0.615 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -83.3 | -20.7 | 175.8 | -72.9 | -177.4 | -74.6 | -125.7 | -2.4 | 114.3 | T338 A339 M340 | T338-R342 PolarHBondContact O-NE 3.01Å; T338-R342 VanDerWaalsContact O-NE 3.17Å; T338-R342 PolarHBondContact O-NH2 2.78Å; T338-R342 PolarHBondContact OG1-NH2 3.2Å; A339-R342 PolarHBondContact O-N 3.28Å; M340-R342 PolarHBondContact O-N 2.82Å |
| 343 | G | 32.9 | Very low | 42.5 | Very low | 55 Ų | 55 | 92.9 Ų | 92.9 | 57% | 0.567 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -88 | -0.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | A339 M340 S345 | A339-G343 PolarHBondContact O-N 3.39Å; A339-G343 VanDerWaalsContact O-N 3.1Å; M340-G343 PolarHBondContact O-N 2.94Å; G343-S345 PolarHBondContact O-N 2.71Å |
| 344 | A | 39.9 | Very low | 41.9 | Very low | 75 Ų | 75 | 93.3 Ų | 93.3 | 62% | 0.62 | 57% | 0.569 | S | S | * | * | trans | -88.6 | 27.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 345 | S | 34.4 | Very low | 40.7 | Very low | 110 Ų | 110 | 93.6 Ų | 93.6 | 77% | 0.769 | 56% | 0.564 | S | S | * | * | trans | -113.7 | 20.2 | -174.9 | -163.2 | 0 | 0 | 0 | 0 | 114.5 | G343 | G343-S345 PolarHBondContact O-N 2.71Š| ||
| 346 | T | 29.6 | Very low | 40 | Very low | 203 Ų | 203 | 88.1 Ų | 88.1 | 100% | 1.245 | 54% | 0.542 | S | S | * | . | trans | -136.2 | 0 | 173.6 | 50.8 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 346 of 346 residues in 107.6 ms
(Link to these results)