| 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 | 59.7 | Low | 86.2 | Confident | 235 Ų | 235 | 71.5 Ų | 71.5 | 100% | 1.158 | 38% | 0.378 | S | S | * | . | 0 | 128.3 | 0 | -72.4 | 176.2 | -166 | 0 | 0 | 107.5 | |||||
| 2 | S | 83.7 | Confident | 86.6 | Confident | 64 Ų | 64 | 67.7 Ų | 67.7 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | trans | -87.1 | 139.2 | 171.8 | 54.1 | 0 | 0 | 0 | 0 | 109.5 | K7 | S2-K7 WeakPolarHBondContact OG-CB 3.49Š| ||
| 3 | L | 89.4 | Confident | 86.8 | Confident | 78 Ų | 78 | 62.7 Ų | 62.7 | 41% | 0.408 | 34% | 0.335 | S | S | . | . | trans | -55.4 | 154 | 170.8 | -65.3 | 171.7 | 0 | 0 | 0 | 110.3 | V5 D6 K7 L228 E231 | L3-V5 PolarHBondContact O-N 2.87Å; L3-D6 PolarHBondContact O-N 3.19Å; L3-D6 VanDerWaalsContact O-N 3.11Å; L3-K7 WeakPolarHBondContact O-CB 3.39Å; L3-K7 PolarHBondContact O-N 3.33Å; L3-L228 HydrophobicContact CD1-CD2 4.26Å; L3-E231 WeakPolarHBondContact CD2-OE1 3.27Å | ||
| 4 | W | 89 | Confident | 86.9 | Confident | 9 Ų | 9 | 63.4 Ų | 63.4 | 3% | 0.034 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.9 | -34.7 | 179.2 | -76 | 6.7 | 0 | 0 | 0 | 112.6 | D6 Y8 E203 A230 E231 K234 | W4-D6 VanDerWaalsContact C-N 3.35Å; W4-D6 PolarHBondContact O-N 3.16Å; W4-Y8 HydrophobicContact CB-CD2 4.16Å; W4-Y8 HydrophobicContact CG-CD2 4.37Å; W4-Y8 HydrophobicContact CG-CE2 4.29Å; W4-Y8 WeakPolarHBondContact O-CB 3.22Å; W4-Y8 WeakPolarHBondContact O-CD2 3.18Å; W4-Y8 PolarHBondContact O-N 3.29Å; W4-E203 HydrophobicContact CD2-CG 4.47Å; W4-E203 HydrophobicContact CH2-CG 4.44Å; W4-E203 HydrophobicContact CZ2-CB 3.97Å; W4-E203 HydrophobicContact CZ2-CG 3.56Å; W4-E203 VanDerWaalsContact NE1-CD 3.29Å; W4-E203 PolarHBondContact NE1-OE2 2.93Å; W4-A230 HydrophobicContact CE3-CB 4.34Å; W4-A230 HydrophobicContact CZ3-CB 3.98Å; W4-E231 HydrophobicContact CD2-CB 4.27Å; W4-E231 HydrophobicContact CD2-CG 4.49Å; W4-E231 HydrophobicContact CE3-CB 4.31Å; W4-E231 HydrophobicContact CG-CB 4.49Å; W4-E231 HydrophobicContact CG-CG 4.49Å; W4-E231 PolarHBondContact N-OE2 3.47Å; W4-K234 HydrophobicContact CH2-CB 4.29Å; W4-K234 HydrophobicContact CH2-CD 3.76Å; W4-K234 HydrophobicContact CZ2-CD 3.36Å |
| 5 | V | 88.8 | Confident | 87 | Confident | 13 Ų | 13 | 67.9 Ų | 67.9 | 8% | 0.079 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -53.1 | -52.6 | 174.7 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | L3 T9 R224 L227 L228 | L3-V5 PolarHBondContact O-N 2.87Å; V5-T9 PolarHBondContact O-N 3.39Å; V5-T9 PolarHBondContact O-OG1 2.69Å; V5-R224 HydrophobicContact CG1-CG 3.89Å; V5-R224 HydrophobicContact CG2-CG 4.21Å; V5-L227 HydrophobicContact CG2-CB 3.76Å; V5-L227 HydrophobicContact CG2-CD1 4.44Å; V5-L228 HydrophobicContact CG2-CD2 3.73Å; V5-L228 HydrophobicContact CG2-CG 3.77Å |
| 6 | D | 87.9 | Confident | 87.2 | Confident | 102 Ų | 102 | 64.4 Ų | 64.4 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -77.8 | -40.1 | -175.3 | -58.8 | -34 | 0 | 0 | 0 | 111.3 | L3 W4 Y8 T9 | L3-D6 PolarHBondContact O-N 3.19Å; L3-D6 VanDerWaalsContact O-N 3.11Å; W4-D6 VanDerWaalsContact C-N 3.35Å; W4-D6 PolarHBondContact O-N 3.16Å; D6-Y8 VanDerWaalsContact C-N 3.35Å; D6-Y8 PolarHBondContact O-N 2.87Å; D6-T9 PolarHBondContact O-N 2.77Å |
| 7 | K | 89.6 | Confident | 87.1 | Confident | 110 Ų | 110 | 63.6 Ų | 63.6 | 48% | 0.478 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | -178.9 | -169.3 | 178 | 177.1 | -176.4 | 0 | 112.7 | S2 L3 E203 | S2-K7 WeakPolarHBondContact OG-CB 3.49Å; L3-K7 WeakPolarHBondContact O-CB 3.39Å; L3-K7 PolarHBondContact O-N 3.33Å; K7-E203 IonicContact NZ-OE1 2.57Å; K7-E203 PolarHBondContact NZ-OE1 3.35Å |
| 8 | Y | 89.3 | Confident | 87.2 | Confident | 35 Ų | 35 | 60.8 Ų | 60.8 | 14% | 0.137 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 5.9 | -175.2 | -66.3 | -64 | 0 | 0 | 0 | 113.7 | W4 D6 P10 T199 R202 E203 | W4-Y8 HydrophobicContact CB-CD2 4.16Å; W4-Y8 HydrophobicContact CG-CD2 4.37Å; W4-Y8 HydrophobicContact CG-CE2 4.29Å; W4-Y8 WeakPolarHBondContact O-CB 3.22Å; W4-Y8 WeakPolarHBondContact O-CD2 3.18Å; W4-Y8 PolarHBondContact O-N 3.29Å; D6-Y8 VanDerWaalsContact C-N 3.35Å; D6-Y8 PolarHBondContact O-N 2.87Å; Y8-P10 VanDerWaalsContact O-CD 3.24Å; Y8-P10 WeakPolarHBondContact O-CD 3.48Å; Y8-T199 HydrophobicContact CD2-CG2 4.03Å; Y8-T199 HydrophobicContact CG-CG2 3.99Å; Y8-R202 HydrophobicContact CE1-CB 3.75Å; Y8-R202 HydrophobicContact CE1-CG 4.3Å; Y8-R202 WeakPolarHBondContact OH-CB 3.48Å; Y8-E203 HydrophobicContact CE2-CG 3.9Å; Y8-E203 WeakPolarHBondContact CE2-OE1 3.44Å; Y8-E203 VanDerWaalsContact CZ-OE1 3.3Å; Y8-E203 WeakPolarHBondContact OH-CG 3.46Å; Y8-E203 PolarHBondContact OH-OE1 2.99Å |
| 9 | T | 90.9 | Very high | 87.3 | Confident | 57 Ų | 57 | 60.6 Ų | 60.6 | 35% | 0.35 | 33% | 0.332 | S | S | . | . | trans | -57.4 | 122.3 | 174.8 | -74.5 | 0 | 0 | 0 | 0 | 109.9 | V5 D6 T11 T50 | V5-T9 PolarHBondContact O-N 3.39Å; V5-T9 PolarHBondContact O-OG1 2.69Å; D6-T9 PolarHBondContact O-N 2.77Å; T9-T11 PolarHBondContact O-N 2.93Å; T9-T50 HydrophobicContact CG2-CG2 3.74Å | ||
| 10 | P | 91.2 | Very high | 87.4 | Confident | 25 Ų | 25 | 64.1 Ų | 64.1 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | trans | -55.9 | 131.2 | 176.2 | -29.2 | 35.3 | 0 | 0 | 0 | 112.2 | Y8 K15 L16 T50 C54 | Y8-P10 VanDerWaalsContact O-CD 3.24Å; Y8-P10 WeakPolarHBondContact O-CD 3.48Å; P10-K15 HydrophobicContact CB-CB 4.27Å; P10-L16 HydrophobicContact CB-CD2 3.94Å; P10-L16 HydrophobicContact CG-CD2 4.19Å; P10-T50 HydrophobicContact CB-CG2 4.26Å; P10-T50 HydrophobicContact CG-CG2 4.4Å; P10-C54 PolarHBondContact O-SG 3.09Å; P10-C54 VanDerWaalsContact O-SG 3.38Å | ||
| 11 | T | 88.4 | Confident | 87.6 | Confident | 58 Ų | 58 | 69.5 Ų | 69.5 | 36% | 0.356 | 37% | 0.365 | S | S | . | . | trans | -95.1 | -14.3 | 179.1 | 43.4 | 0 | 0 | 0 | 0 | 113.5 | T9 R57 | T9-T11 PolarHBondContact O-N 2.93Å; T11-R57 WeakPolarHBondContact O-CD 3.44Å | ||
| 12 | S | 91.4 | Very high | 89.1 | Confident | 26 Ų | 26 | 60.4 Ų | 60.4 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -138.9 | 160.2 | 179.4 | 66.6 | 0 | 0 | 0 | 0 | 111.6 | G14 K15 C54 | S12-G14 PolarHBondContact O-N 3.45Å; S12-K15 PolarHBondContact O-N 3.05Å; S12-K15 VanDerWaalsContact O-N 3.09Å; S12-K15 WeakPolarHBondContact OG-CG 3.22Å; S12-C54 VanDerWaalsContact C-SG 3.58Å |
| 13 | L | 88.7 | Confident | 89.5 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -62.5 | -31.7 | 179.8 | -72 | 176.8 | 0 | 0 | 0 | 111.8 | K15 L16 A23 L26 K27 C54 I55 E58 | L13-K15 VanDerWaalsContact C-N 3.3Å; L13-K15 PolarHBondContact O-N 3.45Å; L13-L16 HydrophobicContact CD2-CD1 3.79Å; L13-L16 PolarHBondContact O-N 3.47Å; L13-A23 WeakPolarHBondContact O-CB 3.44Å; L13-L26 HydrophobicContact CD1-CB 3.92Å; L13-L26 HydrophobicContact CD2-CB 4.43Å; L13-L26 HydrophobicContact CD2-CD1 4.36Å; L13-K27 HydrophobicContact CD1-CB 4.2Å; L13-C54 HydrophobicContact CD2-CB 3.63Å; L13-C54 HydrophobicContact CG-CB 3.89Å; L13-I55 HydrophobicContact CD1-CG1 4.38Å; L13-I55 HydrophobicContact CD2-CG1 4.27Å; L13-E58 HydrophobicContact CD1-CG 4.11Å; L13-E58 HydrophobicContact CG-CG 4.12Å; L13-E58 PolarHBondContact N-OE1 3.03Å |
| 14 | G | 88.3 | Confident | 89.6 | Confident | 72 Ų | 72 | 61.1 Ų | 61.1 | 74% | 0.742 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -70.1 | -22.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S12 | S12-G14 PolarHBondContact O-N 3.45Š|
| 15 | K | 88.9 | Confident | 89.8 | Confident | 132 Ų | 132 | 65.6 Ų | 65.6 | 57% | 0.574 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -91.6 | 0.7 | 179.9 | -71.5 | 178.7 | -177.8 | 179 | 0 | 113.6 | P10 S12 L13 D17 | P10-K15 HydrophobicContact CB-CB 4.27Å; S12-K15 PolarHBondContact O-N 3.05Å; S12-K15 VanDerWaalsContact O-N 3.09Å; S12-K15 WeakPolarHBondContact OG-CG 3.22Å; L13-K15 VanDerWaalsContact C-N 3.3Å; L13-K15 PolarHBondContact O-N 3.45Å; K15-D17 PolarHBondContact O-N 2.8Å |
| 16 | L | 90.2 | Very high | 90 | Very high | 12 Ų | 12 | 65.4 Ų | 65.4 | 6% | 0.063 | 34% | 0.335 | C | S | . | . | trans | -65.8 | 131.1 | 177.7 | -69.8 | 171.4 | 0 | 0 | 0 | 110.8 | P10 L13 A23 T50 R51 | P10-L16 HydrophobicContact CB-CD2 3.94Å; P10-L16 HydrophobicContact CG-CD2 4.19Å; L13-L16 HydrophobicContact CD2-CD1 3.79Å; L13-L16 PolarHBondContact O-N 3.47Å; L16-A23 HydrophobicContact CD1-CB 3.8Å; L16-T50 HydrophobicContact CD2-CG2 4.38Å; L16-R51 HydrophobicContact CD1-CG 4.02Å; L16-R51 HydrophobicContact CD2-CG 4.25Å | ||
| 17 | D | 86.2 | Confident | 90.2 | Very high | 50 Ų | 50 | 65 Ų | 65 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -72.4 | -32.6 | -173.1 | -52 | -78.4 | 0 | 0 | 0 | 113 | K15 K20 I195 | K15-D17 PolarHBondContact O-N 2.8Å; D17-K20 VanDerWaalsContact O-CE 3.31Å; D17-K20 WeakPolarHBondContact O-CE 3.37Å; D17-I195 HydrophobicContact CB-CD1 3.7Å; D17-I195 HydrophobicContact CB-CG1 3.59Å |
| 18 | Y | 88.1 | Confident | 90.2 | Very high | 13 Ų | 13 | 67 Ų | 67 | 5% | 0.051 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -135.6 | 166.7 | -175.5 | 65.1 | -78.5 | 0 | 0 | 0 | 113.5 | K20 A46 R51 P187 I195 L223 | Y18-K20 VanDerWaalsContact C-N 3.33Å; Y18-K20 PolarHBondContact O-N 2.87Å; Y18-A46 PolarHBondContact OH-O 2.87Å; Y18-R51 PolarHBondContact O-NH2 3.22Å; Y18-P187 HydrophobicContact CD1-CB 4.33Å; Y18-P187 HydrophobicContact CD2-CB 3.95Å; Y18-P187 HydrophobicContact CE1-CB 4.38Å; Y18-P187 HydrophobicContact CE1-CG 4.49Å; Y18-P187 HydrophobicContact CE2-CB 4.02Å; Y18-P187 HydrophobicContact CE2-CG 4.33Å; Y18-P187 HydrophobicContact CG-CB 4.14Å; Y18-I195 HydrophobicContact CD1-CD1 3.89Å; Y18-I195 HydrophobicContact CE1-CD1 4.42Å; Y18-L223 HydrophobicContact CE1-CD2 3.8Å |
| 19 | H | 89.6 | Confident | 90.3 | Very high | 57 Ų | 57 | 67 Ų | 67 | 26% | 0.264 | 34% | 0.34 | S | S | . | . | trans | 50.9 | 46 | -168.4 | -54.3 | -50.3 | 0 | 0 | 0 | 113.4 | K21 Q22 A23 S185 | H19-K21 PolarHBondContact O-N 3.5Å; H19-Q22 HydrophobicContact CB-CB 4.12Å; H19-Q22 WeakPolarHBondContact O-CB 3.31Å; H19-Q22 PolarHBondContact O-N 3.08Å; H19-A23 PolarHBondContact O-N 3.02Å; H19-S185 PolarHBondContact NE2-O 3.43Å | ||
| 20 | K | 89.4 | Confident | 90.2 | Very high | 130 Ų | 130 | 64.6 Ų | 64.6 | 57% | 0.565 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -57 | -32.5 | -177.4 | -63.6 | 178.4 | -177.7 | 171.6 | 0 | 113.4 | D17 Y18 A23 K24 | D17-K20 VanDerWaalsContact O-CE 3.31Å; D17-K20 WeakPolarHBondContact O-CE 3.37Å; Y18-K20 VanDerWaalsContact C-N 3.33Å; Y18-K20 PolarHBondContact O-N 2.87Å; K20-A23 PolarHBondContact O-N 2.85Å; K20-K24 WeakPolarHBondContact O-CG 3.5Å; K20-K24 PolarHBondContact O-N 2.93Å |
| 21 | K | 91.4 | Very high | 90 | Very high | 179 Ų | 179 | 68.5 Ų | 68.5 | 78% | 0.778 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.4 | -45.7 | 173.9 | -68.3 | -177.4 | -179.1 | 177.7 | 0 | 111.6 | H19 A23 K24 N25 | H19-K21 PolarHBondContact O-N 3.5Å; K21-A23 VanDerWaalsContact C-N 3.34Å; K21-K24 PolarHBondContact O-N 2.89Å; K21-N25 PolarHBondContact O-N 3.18Å; K21-N25 VanDerWaalsContact O-N 3.07Å |
| 22 | Q | 91.5 | Very high | 89.9 | Confident | 44 Ų | 44 | 67.6 Ų | 67.6 | 21% | 0.206 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.6 | -42 | 176 | -176.8 | 179.3 | 75.5 | 0 | 0 | 110.8 | H19 K24 N25 L26 I182 R183 | H19-Q22 HydrophobicContact CB-CB 4.12Å; H19-Q22 WeakPolarHBondContact O-CB 3.31Å; H19-Q22 PolarHBondContact O-N 3.08Å; Q22-K24 VanDerWaalsContact C-N 3.33Å; Q22-K24 PolarHBondContact O-N 2.88Å; Q22-N25 PolarHBondContact O-N 3.47Å; Q22-N25 VanDerWaalsContact O-N 3.15Å; Q22-L26 HydrophobicContact CG-CD1 4.11Å; Q22-L26 HydrophobicContact CG-CG 4.31Å; Q22-L26 VanDerWaalsContact O-CG 3.32Å; Q22-L26 WeakPolarHBondContact O-CG 3.43Å; Q22-L26 PolarHBondContact O-N 3.32Å; Q22-I182 HydrophobicContact CG-CG2 4.49Å; Q22-R183 PolarHBondContact NE2-O 3.22Å |
| 23 | A | 91.3 | Very high | 89.2 | Confident | 6 Ų | 6 | 71.8 Ų | 71.8 | 5% | 0.05 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.7 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L13 L16 H19 K20 K21 L26 K27 | L13-A23 WeakPolarHBondContact O-CB 3.44Å; L16-A23 HydrophobicContact CD1-CB 3.8Å; H19-A23 PolarHBondContact O-N 3.02Å; K20-A23 PolarHBondContact O-N 2.85Å; K21-A23 VanDerWaalsContact C-N 3.34Å; A23-L26 PolarHBondContact O-N 3.09Å; A23-K27 WeakPolarHBondContact O-CB 3.43Å; A23-K27 PolarHBondContact O-N 3.06Å |
| 24 | K | 92.5 | Very high | 89 | Confident | 150 Ų | 150 | 76.4 Ų | 76.4 | 65% | 0.652 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.2 | -41.3 | 174 | -73.3 | 178.1 | -179.7 | -173.6 | 0 | 112.5 | K20 K21 Q22 K27 K28 | K20-K24 WeakPolarHBondContact O-CG 3.5Å; K20-K24 PolarHBondContact O-N 2.93Å; K21-K24 PolarHBondContact O-N 2.89Å; Q22-K24 VanDerWaalsContact C-N 3.33Å; Q22-K24 PolarHBondContact O-N 2.88Å; K24-K27 PolarHBondContact O-N 3.35Å; K24-K28 WeakPolarHBondContact O-CG 3.3Å; K24-K28 PolarHBondContact O-N 3.09Å |
| 25 | N | 92.7 | Very high | 89.1 | Confident | 104 Ų | 104 | 73 Ų | 73 | 56% | 0.556 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -67.5 | -40.3 | 177.2 | -68.5 | -9.1 | 0 | 0 | 0 | 111.8 | K21 Q22 K27 K28 L29 | K21-N25 PolarHBondContact O-N 3.18Å; K21-N25 VanDerWaalsContact O-N 3.07Å; Q22-N25 PolarHBondContact O-N 3.47Å; Q22-N25 VanDerWaalsContact O-N 3.15Å; N25-K27 VanDerWaalsContact C-N 3.31Å; N25-K27 PolarHBondContact O-N 3.41Å; N25-K28 PolarHBondContact O-N 3.49Å; N25-L29 PolarHBondContact O-N 2.84Å |
| 26 | L | 92.5 | Very high | 89.2 | Confident | 9 Ų | 9 | 68.6 Ų | 68.6 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 174.1 | -69.2 | 172.6 | 0 | 0 | 0 | 111.3 | L13 Q22 A23 L29 V30 I55 I182 | L13-L26 HydrophobicContact CD1-CB 3.92Å; L13-L26 HydrophobicContact CD2-CB 4.43Å; L13-L26 HydrophobicContact CD2-CD1 4.36Å; Q22-L26 HydrophobicContact CG-CD1 4.11Å; Q22-L26 HydrophobicContact CG-CG 4.31Å; Q22-L26 VanDerWaalsContact O-CG 3.32Å; Q22-L26 WeakPolarHBondContact O-CG 3.43Å; Q22-L26 PolarHBondContact O-N 3.32Å; A23-L26 PolarHBondContact O-N 3.09Å; L26-L29 WeakPolarHBondContact O-CB 3.48Å; L26-L29 PolarHBondContact O-N 3Å; L26-V30 WeakPolarHBondContact O-CG2 3.47Å; L26-V30 PolarHBondContact O-N 3Å; L26-I55 HydrophobicContact CD1-CD1 4.25Å; L26-I55 HydrophobicContact CD2-CD1 4.16Å; L26-I182 HydrophobicContact CD2-CD1 3.46Å; L26-I182 VanDerWaalsContact CD2-CD1 3.46Å; L26-I182 HydrophobicContact CD2-CG1 4.16Å; L26-I182 HydrophobicContact CD2-CG2 4.44Å |
| 27 | K | 91.4 | Very high | 89.4 | Confident | 94 Ų | 94 | 68.4 Ų | 68.4 | 41% | 0.409 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.3 | -49.2 | 174.6 | -171.8 | 173 | -178.1 | 173.7 | 0 | 111.5 | L13 A23 K24 N25 L29 V30 D31 | L13-K27 HydrophobicContact CD1-CB 4.2Å; A23-K27 WeakPolarHBondContact O-CB 3.43Å; A23-K27 PolarHBondContact O-N 3.06Å; K24-K27 PolarHBondContact O-N 3.35Å; N25-K27 VanDerWaalsContact C-N 3.31Å; N25-K27 PolarHBondContact O-N 3.41Å; K27-L29 PolarHBondContact O-N 2.89Å; K27-V30 WeakPolarHBondContact O-CB 3.48Å; K27-V30 PolarHBondContact O-N 3.43Å; K27-V30 VanDerWaalsContact O-N 3.1Å; K27-D31 VanDerWaalsContact O-CG 3.23Å; K27-D31 PolarHBondContact O-N 3.21Å |
| 28 | K | 91.1 | Very high | 89.9 | Confident | 151 Ų | 151 | 66 Ų | 66 | 66% | 0.657 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -57.3 | -35.6 | 174.1 | -69.4 | 179 | 178.2 | -173.1 | 0 | 112.9 | K24 N25 S32 | K24-K28 WeakPolarHBondContact O-CG 3.3Å; K24-K28 PolarHBondContact O-N 3.09Å; N25-K28 PolarHBondContact O-N 3.49Å; K28-S32 PolarHBondContact O-N 3.22Å; K28-S32 VanDerWaalsContact O-N 3.15Å |
| 29 | L | 91 | Very high | 90.2 | Very high | 36 Ų | 36 | 65.5 Ų | 65.5 | 19% | 0.188 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69 | -40.4 | 177.3 | -174 | 67.3 | 0 | 0 | 0 | 112 | N25 L26 K27 S32 F35 P36 L38 L180 | N25-L29 PolarHBondContact O-N 2.84Å; L26-L29 WeakPolarHBondContact O-CB 3.48Å; L26-L29 PolarHBondContact O-N 3Å; K27-L29 PolarHBondContact O-N 2.89Å; L29-S32 WeakPolarHBondContact O-CB 3.48Å; L29-S32 PolarHBondContact O-N 3.18Å; L29-S32 PolarHBondContact O-OG 3.02Å; L29-F35 HydrophobicContact CG-CD2 4.49Å; L29-P36 HydrophobicContact CD1-CG 4.14Å; L29-P36 HydrophobicContact CD2-CG 4.47Å; L29-L38 HydrophobicContact CD2-CD2 3.84Å; L29-L180 HydrophobicContact CD1-CD2 4.41Å; L29-L180 HydrophobicContact CD2-CD2 3.64Å |
| 30 | V | 89 | Confident | 90.6 | Very high | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.03 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 175.2 | 168 | 0 | 0 | 0 | 0 | 111.4 | L26 K27 S32 F35 I55 E58 L59 | L26-V30 WeakPolarHBondContact O-CG2 3.47Å; L26-V30 PolarHBondContact O-N 3Å; K27-V30 WeakPolarHBondContact O-CB 3.48Å; K27-V30 PolarHBondContact O-N 3.43Å; K27-V30 VanDerWaalsContact O-N 3.1Å; V30-S32 PolarHBondContact O-N 3.02Å; V30-F35 HydrophobicContact CG2-CE2 4.29Å; V30-I55 HydrophobicContact CG2-CG2 3.96Å; V30-E58 HydrophobicContact CG1-CB 3.8Å; V30-L59 HydrophobicContact CB-CD2 4.4Å; V30-L59 HydrophobicContact CG1-CD2 3.76Å; V30-L59 HydrophobicContact CG1-CG 3.92Å; V30-L59 HydrophobicContact CG2-CD2 4.43Å; V30-L59 HydrophobicContact CG2-CG 4.27Å |
| 31 | D | 87.4 | Confident | 90.8 | Very high | 107 Ų | 107 | 59.2 Ų | 59.2 | 57% | 0.572 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -67.8 | -23.7 | 179 | -63.2 | -25.1 | 0 | 0 | 0 | 112.1 | K27 | K27-D31 VanDerWaalsContact O-CG 3.23Å; K27-D31 PolarHBondContact O-N 3.21Å |
| 32 | S | 86 | Confident | 90.9 | Very high | 40 Ų | 40 | 51 Ų | 51 | 28% | 0.28 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -64.3 | 152.8 | 177.5 | 81.5 | 0 | 0 | 0 | 0 | 112.5 | K28 L29 V30 N34 K127 | K28-S32 PolarHBondContact O-N 3.22Å; K28-S32 VanDerWaalsContact O-N 3.15Å; L29-S32 WeakPolarHBondContact O-CB 3.48Å; L29-S32 PolarHBondContact O-N 3.18Å; L29-S32 PolarHBondContact O-OG 3.02Å; V30-S32 PolarHBondContact O-N 3.02Å; S32-N34 VanDerWaalsContact C-N 3.32Å; S32-N34 PolarHBondContact O-N 3.21Å; S32-N34 PolarHBondContact OG-O 3.04Å; S32-K127 PolarHBondContact O-NZ 3.16Å |
| 33 | S | 76.4 | Confident | 91 | Very high | 113 Ų | 113 | 51.9 Ų | 51.9 | 79% | 0.79 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -67.2 | -33.1 | 179.4 | 55.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 34 | N | 83.9 | Confident | 91 | Very high | 101 Ų | 101 | 54.8 Ų | 54.8 | 54% | 0.54 | 30% | 0.295 | S | S | . | . | trans | -112.2 | 97.2 | -175.1 | -171.4 | 17.4 | 0 | 0 | 0 | 112 | S32 P36 R160 | S32-N34 VanDerWaalsContact C-N 3.32Å; S32-N34 PolarHBondContact O-N 3.21Å; S32-N34 PolarHBondContact OG-O 3.04Å; N34-P36 VanDerWaalsContact O-CD 3.29Å; N34-P36 WeakPolarHBondContact O-CD 3.46Å; N34-R160 PolarHBondContact OD1-NH1 2.94Å; N34-R160 PolarHBondContact OD1-NH2 3.41Å | ||
| 35 | F | 90 | Very high | 90.8 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | trans | -87 | 107 | 179.6 | -178.6 | -97.7 | 0 | 0 | 0 | 112 | L29 V30 L38 I55 L59 F129 R160 I162 | L29-F35 HydrophobicContact CG-CD2 4.49Å; V30-F35 HydrophobicContact CG2-CE2 4.29Å; F35-L38 HydrophobicContact CE1-CD1 4.35Å; F35-L38 HydrophobicContact CE1-CG 4.33Å; F35-L38 HydrophobicContact CE2-CD1 3.9Å; F35-L38 HydrophobicContact CE2-CG 4.42Å; F35-L38 HydrophobicContact CZ-CD1 3.43Å; F35-L38 VanDerWaalsContact CZ-CD1 3.43Å; F35-L38 HydrophobicContact CZ-CG 3.82Å; F35-I55 HydrophobicContact CE2-CG2 3.92Å; F35-I55 HydrophobicContact CZ-CG2 3.8Å; F35-L59 HydrophobicContact CD1-CD1 4.4Å; F35-L59 HydrophobicContact CD2-CD1 4.36Å; F35-L59 HydrophobicContact CD2-CD2 4.18Å; F35-L59 HydrophobicContact CE1-CD1 4.08Å; F35-L59 HydrophobicContact CE2-CD1 4.03Å; F35-L59 HydrophobicContact CG-CD2 4.38Å; F35-L59 HydrophobicContact CZ-CD1 3.87Å; F35-F129 HydrophobicContact CB-CE1 4.05Å; F35-F129 HydrophobicContact CB-CE2 4.4Å; F35-F129 HydrophobicContact CB-CZ 3.55Å; F35-F129 AromaticContact CD1-CE2 3.86Å; F35-F129 HydrophobicContact CD1-CE2 3.86Å; F35-F129 AromaticContact CD1-CZ 3.85Å; F35-F129 HydrophobicContact CD1-CZ 3.85Å; F35-F129 HydrophobicContact CG-CE2 4.42Å; F35-F129 AromaticContact CG-CZ 3.95Å; F35-F129 HydrophobicContact CG-CZ 3.95Å; F35-R160 HydrophobicContact CD1-CB 4.2Å; F35-R160 HydrophobicContact CD1-CG 4.29Å; F35-R160 HydrophobicContact CE1-CB 4.49Å; F35-R160 VanDerWaalsContact O-CD 3.27Å; F35-R160 WeakPolarHBondContact O-CD 3.33Å; F35-R160 VanDerWaalsContact O-CZ 3.26Å; F35-R160 PolarHBondContact O-NE 3.44Å; F35-R160 PolarHBondContact O-NH1 3.4Å; F35-I162 HydrophobicContact CE1-CD1 4.43Å; F35-I162 HydrophobicContact CZ-CD1 4.19Å | ||
| 36 | P | 92.2 | Very high | 90.8 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 25% | 0.253 | 25% | 0.248 | S | C | . | . | trans | -72.8 | 169 | -176.5 | 32.4 | -36.4 | 0 | 0 | 0 | 112.8 | L29 N34 L38 L180 | L29-P36 HydrophobicContact CD1-CG 4.14Å; L29-P36 HydrophobicContact CD2-CG 4.47Å; N34-P36 VanDerWaalsContact O-CD 3.29Å; N34-P36 WeakPolarHBondContact O-CD 3.46Å; P36-L38 HydrophobicContact CG-CD2 4.22Å; P36-L180 HydrophobicContact CG-CB 4.25Å; P36-L180 HydrophobicContact CG-CD2 4.26Å | ||
| 37 | H | 94.2 | Very high | 90.7 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | trans | -61.6 | 143.1 | 165.4 | -57.9 | -75.2 | 0 | 0 | 0 | 110.1 | M152 I156 C159 L161 C179 L180 | H37-M152 HydrophobicContact CB-CE 3.68Å; H37-M152 VanDerWaalsContact CD2-CE 3.49Å; H37-M152 WeakPolarHBondContact CD2-CE 3.49Å; H37-M152 VanDerWaalsContact CG-CE 3.44Å; H37-I156 WeakPolarHBondContact NE2-CD1 3.34Å; H37-C159 PolarHBondContact CE1-O 3.24Å; H37-L161 CarbonylContact C-O 3.57Å; H37-L161 VanDerWaalsContact CA-O 3.27Å; H37-L161 WeakPolarHBondContact CA-O 3.37Å; H37-L161 WeakPolarHBondContact ND1-CB 3.38Å; H37-L161 PolarHBondContact ND1-N 3.42Å; H37-C179 HydrophobicContact CB-CB 4.46Å; H37-C179 CarbonylContact O-C 3.59Å; H37-C179 WeakPolarHBondContact O-CA 3.42Å; H37-L180 PolarHBondContact O-N 3.1Å | ||
| 38 | L | 96 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 141.5 | -178.1 | -57.3 | -173.1 | 0 | 0 | 0 | 111.1 | L29 F35 P36 I55 L161 I162 L163 L180 I182 | L29-L38 HydrophobicContact CD2-CD2 3.84Å; F35-L38 HydrophobicContact CE1-CD1 4.35Å; F35-L38 HydrophobicContact CE1-CG 4.33Å; F35-L38 HydrophobicContact CE2-CD1 3.9Å; F35-L38 HydrophobicContact CE2-CG 4.42Å; F35-L38 HydrophobicContact CZ-CD1 3.43Å; F35-L38 VanDerWaalsContact CZ-CD1 3.43Å; F35-L38 HydrophobicContact CZ-CG 3.82Å; P36-L38 HydrophobicContact CG-CD2 4.22Å; L38-I55 HydrophobicContact CD1-CD1 3.95Å; L38-L161 PolarHBondContact N-O 2.6Å; L38-I162 HydrophobicContact CB-CG1 4.19Å; L38-I162 HydrophobicContact CB-CG2 4.23Å; L38-I162 HydrophobicContact CD1-CD1 4.31Å; L38-I162 HydrophobicContact CD1-CG1 4.35Å; L38-I162 HydrophobicContact CG-CG1 4.39Å; L38-I162 CarbonylContact O-C 2.91Å; L38-I162 WeakPolarHBondContact O-CA 3.39Å; L38-L163 PolarHBondContact O-N 3.48Å; L38-L180 HydrophobicContact CD2-CB 3.98Å; L38-L180 HydrophobicContact CD2-CD2 4.12Å; L38-I182 HydrophobicContact CB-CD1 4.17Å; L38-I182 HydrophobicContact CD1-CD1 3.82Å; L38-I182 HydrophobicContact CD2-CD1 3.84Å; L38-I182 HydrophobicContact CG-CD1 4.16Å |
| 39 | L | 95.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 99.8 | 168.1 | 172.3 | 62.8 | 0 | 0 | 0 | 108.3 | Y41 L163 A165 I171 R176 C179 L180 P181 I182 | L39-Y41 HydrophobicContact CG-CD1 4.35Å; L39-L163 CarbonylContact C-O 3.58Å; L39-L163 WeakPolarHBondContact CA-O 3.43Å; L39-L163 HydrophobicContact CD1-CB 3.78Å; L39-A165 HydrophobicContact CD1-CB 4.36Å; L39-I171 HydrophobicContact CD2-CG2 4.42Å; L39-R176 HydrophobicContact CD2-CG 4.32Å; L39-C179 HydrophobicContact CB-CB 3.54Å; L39-L180 PolarHBondContact N-O 3.23Å; L39-P181 CarbonylContact O-C 3.53Å; L39-P181 WeakPolarHBondContact O-CA 3.01Å; L39-I182 PolarHBondContact O-N 2.9Å |
| 40 | V | 96.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 117.6 | 177.6 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | K48 I52 I162 L163 S164 A165 I182 V184 | V40-K48 HydrophobicContact CG1-CB 4.04Å; V40-K48 HydrophobicContact CG1-CG 4.15Å; V40-I52 HydrophobicContact CB-CD1 4.22Å; V40-I52 HydrophobicContact CB-CG1 4.41Å; V40-I52 HydrophobicContact CG2-CD1 4.24Å; V40-I52 HydrophobicContact CG2-CG1 3.98Å; V40-I162 HydrophobicContact CG2-CG2 4.19Å; V40-L163 PolarHBondContact N-O 3.47Å; V40-S164 VanDerWaalsContact O-CA 3.29Å; V40-S164 WeakPolarHBondContact O-CA 3.32Å; V40-A165 PolarHBondContact O-N 3.44Å; V40-I182 WeakPolarHBondContact CA-O 3.2Å; V40-I182 HydrophobicContact CG2-CB 4.41Å; V40-I182 HydrophobicContact CG2-CD1 4.36Å; V40-V184 HydrophobicContact CG1-CG2 3.63Å |
| 41 | Y | 95.4 | Very high | 91.1 | Very high | 54 Ų | 54 | 38.8 Ų | 38.8 | 21% | 0.212 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 153.8 | -178.6 | 67.6 | -84.5 | 0 | 0 | 0 | 112.9 | L39 A165 T168 P181 I182 R183 V184 | L39-Y41 HydrophobicContact CG-CD1 4.35Å; Y41-A165 VanDerWaalsContact CA-O 3.28Å; Y41-A165 WeakPolarHBondContact CA-O 3.08Å; Y41-T168 HydrophobicContact CD1-CG2 3.65Å; Y41-T168 HydrophobicContact CD2-CG2 3.39Å; Y41-T168 HydrophobicContact CE1-CG2 3.86Å; Y41-T168 HydrophobicContact CE2-CG2 3.58Å; Y41-T168 HydrophobicContact CG-CG2 3.38Å; Y41-P181 HydrophobicContact CE1-CB 3.79Å; Y41-I182 PolarHBondContact N-O 2.61Å; Y41-R183 HydrophobicContact CD2-CG 4.49Å; Y41-R183 HydrophobicContact CE1-CB 4.15Å; Y41-R183 HydrophobicContact CE2-CB 3.82Å; Y41-R183 HydrophobicContact CE2-CG 3.85Å; Y41-V184 PolarHBondContact O-N 2.85Å |
| 42 | G | 93.2 | Very high | 91.4 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 6% | 0.062 | 20% | 0.201 | C | C | . | . | trans | 154.8 | 174.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K48 A165 E166 V184 | G42-K48 WeakPolarHBondContact O-CD 3.45Å; G42-K48 WeakPolarHBondContact O-CE 3.46Å; G42-K48 PolarHBondContact O-NZ 2.79Å; G42-A165 PolarHBondContact N-O 2.76Å; G42-E166 CarbonylContact C-O 3.52Å; G42-E166 PolarHBondContact N-O 2.91Å; G42-E166 WeakPolarHBondContact O-CA 3.41Å; G42-V184 WeakPolarHBondContact CA-O 3.44Å | ||
| 43 | P | 93.2 | Very high | 91.7 | Very high | 62 Ų | 62 | 33.8 Ų | 33.8 | 40% | 0.403 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -62.9 | 157.5 | -177.8 | 24.8 | -31.6 | 0 | 0 | 0 | 112.5 | A46 A186 | P43-A46 HydrophobicContact CG-CB 4.05Å; P43-A46 WeakPolarHBondContact O-CB 3.37Å; P43-A46 PolarHBondContact O-N 2.89Å; P43-A186 HydrophobicContact CG-CB 3.67Å |
| 44 | S | 90.8 | Very high | 92.5 | Very high | 68 Ų | 68 | 28.4 Ų | 28.4 | 48% | 0.476 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 142.9 | 175.4 | -166.1 | 0 | 0 | 0 | 0 | 111.3 | A46 E166 N222 | S44-A46 PolarHBondContact O-N 3.32Å; S44-E166 WeakPolarHBondContact CB-OE1 3.43Å; S44-N222 PolarHBondContact O-ND2 3.21Å |
| 45 | G | 89.4 | Confident | 92.9 | Very high | 21 Ų | 21 | 23.7 Ų | 23.7 | 22% | 0.216 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 4.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | G47 N222 L223 | G45-G47 PolarHBondContact O-N 3.18Å; G45-N222 WeakPolarHBondContact CA-OD1 3.2Å; G45-L223 PolarHBondContact O-N 3.34Å |
| 46 | A | 90.8 | Very high | 93 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.008 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -79.7 | 15.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y18 P43 S44 V184 | Y18-A46 PolarHBondContact OH-O 2.87Å; P43-A46 HydrophobicContact CG-CB 4.05Å; P43-A46 WeakPolarHBondContact O-CB 3.37Å; P43-A46 PolarHBondContact O-N 2.89Å; S44-A46 PolarHBondContact O-N 3.32Å; A46-V184 HydrophobicContact CB-CG1 4.25Å; A46-V184 WeakPolarHBondContact O-CG1 3.43Å |
| 47 | G | 91.2 | Very high | 92.9 | Very high | 17 Ų | 17 | 25.4 Ų | 25.4 | 18% | 0.175 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 76.2 | 22.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | G45 T50 R51 | G45-G47 PolarHBondContact O-N 3.18Å; G47-T50 PolarHBondContact O-N 2.84Å; G47-R51 WeakPolarHBondContact O-CG 3.49Å; G47-R51 PolarHBondContact O-N 2.62Å |
| 48 | K | 92.9 | Very high | 92.7 | Very high | 20 Ų | 20 | 28 Ų | 28 | 9% | 0.087 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.3 | -55.2 | 176.6 | -63.1 | -179.3 | -62.3 | -171 | 0 | 111.9 | V40 G42 T50 R51 I52 A165 V184 | V40-K48 HydrophobicContact CG1-CB 4.04Å; V40-K48 HydrophobicContact CG1-CG 4.15Å; G42-K48 WeakPolarHBondContact O-CD 3.45Å; G42-K48 WeakPolarHBondContact O-CE 3.46Å; G42-K48 PolarHBondContact O-NZ 2.79Å; K48-T50 PolarHBondContact O-N 2.81Å; K48-R51 PolarHBondContact O-N 3.41Å; K48-I52 WeakPolarHBondContact O-CG1 3.49Å; K48-I52 PolarHBondContact O-N 3.43Å; K48-A165 PolarHBondContact NZ-O 3.09Å; K48-V184 HydrophobicContact CG-CB 4.16Å |
| 49 | R | 92.5 | Very high | 92.4 | Very high | 118 Ų | 118 | 28.9 Ų | 28.9 | 45% | 0.445 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -58.2 | -46.6 | 178.6 | -178.7 | 174.8 | 172.2 | 90.7 | 5.2 | 111.2 | R51 I52 M53 E94 H135 | R49-R51 VanDerWaalsContact C-N 3.33Å; R49-R51 PolarHBondContact O-N 3.45Å; R49-I52 WeakPolarHBondContact O-CB 3.45Å; R49-I52 PolarHBondContact O-N 3.16Å; R49-I52 VanDerWaalsContact O-N 3.13Å; R49-M53 WeakPolarHBondContact O-CG 3.31Å; R49-M53 PolarHBondContact O-N 3.39Å; R49-E94 IonicContact CZ-OE2 2.76Å; R49-E94 VanDerWaalsContact CZ-OE2 3.25Å; R49-E94 IonicContact NH1-OE1 3.64Å; R49-E94 IonicContact NH1-OE2 2.77Å; R49-E94 PolarHBondContact NH1-OE2 3.2Å; R49-E94 IonicContact NH2-OE1 3.78Å; R49-E94 IonicContact NH2-OE2 3.58Å; R49-E94 PolarHBondContact NH2-OE2 3.49Å; R49-H135 PolarHBondContact NH1-CD2 3.17Å; R49-H135 PolarHBondContact NH1-NE2 3.43Å |
| 50 | T | 92.5 | Very high | 91.9 | Very high | 33 Ų | 33 | 29.6 Ų | 29.6 | 20% | 0.202 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.1 | -44.2 | 176.9 | -50.3 | 0 | 0 | 0 | 0 | 112.3 | T9 P10 L16 G47 K48 I52 M53 C54 | T9-T50 HydrophobicContact CG2-CG2 3.74Å; P10-T50 HydrophobicContact CB-CG2 4.26Å; P10-T50 HydrophobicContact CG-CG2 4.4Å; L16-T50 HydrophobicContact CD2-CG2 4.38Å; G47-T50 PolarHBondContact O-N 2.84Å; K48-T50 PolarHBondContact O-N 2.81Å; T50-I52 PolarHBondContact O-N 3.03Å; T50-M53 PolarHBondContact O-N 2.92Å; T50-C54 PolarHBondContact O-N 3.46Å; T50-C54 PolarHBondContact O-SG 3.13Å |
| 51 | R | 93.6 | Very high | 91.5 | Very high | 3 Ų | 3 | 31 Ų | 31 | 1% | 0.011 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.1 | -40.2 | 176.6 | -72.7 | 175.9 | -171.3 | -98.1 | -20.4 | 112.3 | L16 Y18 G47 K48 R49 C54 I55 | L16-R51 HydrophobicContact CD1-CG 4.02Å; L16-R51 HydrophobicContact CD2-CG 4.25Å; Y18-R51 PolarHBondContact O-NH2 3.22Å; G47-R51 WeakPolarHBondContact O-CG 3.49Å; G47-R51 PolarHBondContact O-N 2.62Å; K48-R51 PolarHBondContact O-N 3.41Å; R49-R51 VanDerWaalsContact C-N 3.33Å; R49-R51 PolarHBondContact O-N 3.45Å; R51-C54 PolarHBondContact O-N 2.77Å; R51-I55 VanDerWaalsContact O-CG1 3.28Å; R51-I55 WeakPolarHBondContact O-CG1 3.14Å; R51-I55 PolarHBondContact O-N 3.32Å |
| 52 | I | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.7 | -46.5 | 176.2 | -65 | 169.1 | 0 | 0 | 0 | 110.1 | V40 K48 R49 T50 C54 I55 L56 V133 I162 | V40-I52 HydrophobicContact CB-CD1 4.22Å; V40-I52 HydrophobicContact CB-CG1 4.41Å; V40-I52 HydrophobicContact CG2-CD1 4.24Å; V40-I52 HydrophobicContact CG2-CG1 3.98Å; K48-I52 WeakPolarHBondContact O-CG1 3.49Å; K48-I52 PolarHBondContact O-N 3.43Å; R49-I52 WeakPolarHBondContact O-CB 3.45Å; R49-I52 PolarHBondContact O-N 3.16Å; R49-I52 VanDerWaalsContact O-N 3.13Å; T50-I52 PolarHBondContact O-N 3.03Å; I52-C54 VanDerWaalsContact C-N 3.35Å; I52-C54 PolarHBondContact O-N 3.13Å; I52-I55 WeakPolarHBondContact O-CB 3.25Å; I52-I55 PolarHBondContact O-N 3.13Å; I52-I55 VanDerWaalsContact O-N 3.14Å; I52-L56 HydrophobicContact CG2-CD1 4.33Å; I52-L56 WeakPolarHBondContact O-CG 3.45Å; I52-L56 PolarHBondContact O-N 2.93Å; I52-V133 HydrophobicContact CD1-CG1 4.46Å; I52-V133 HydrophobicContact CG2-CG1 3.85Å; I52-V133 HydrophobicContact CG2-CG2 3.87Å; I52-I162 HydrophobicContact CB-CG2 4.43Å; I52-I162 HydrophobicContact CD1-CG2 3.82Å; I52-I162 HydrophobicContact CG1-CG2 3.74Å; I52-I162 HydrophobicContact CG2-CD1 4.25Å; I52-I162 HydrophobicContact CG2-CG2 3.89Å |
| 53 | M | 92.7 | Very high | 90.3 | Very high | 41 Ų | 41 | 33.2 Ų | 33.2 | 20% | 0.202 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -41.2 | 176.1 | -66.7 | -57.4 | -84.9 | 0 | 0 | 112.2 | R49 T50 I55 L56 R57 | R49-M53 WeakPolarHBondContact O-CG 3.31Å; R49-M53 PolarHBondContact O-N 3.39Å; T50-M53 PolarHBondContact O-N 2.92Å; M53-I55 PolarHBondContact O-N 2.81Å; M53-L56 PolarHBondContact O-N 2.9Å; M53-L56 HydrophobicContact SD-CD1 4.08Å; M53-R57 WeakPolarHBondContact O-CB 3.27Å; M53-R57 PolarHBondContact O-N 3.31Å |
| 54 | C | 92.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.3 | -40.6 | 173.7 | -69 | 0 | 0 | 0 | 0 | 112.3 | P10 S12 L13 T50 R51 I52 R57 E58 | P10-C54 PolarHBondContact O-SG 3.09Å; P10-C54 VanDerWaalsContact O-SG 3.38Å; S12-C54 VanDerWaalsContact C-SG 3.58Å; L13-C54 HydrophobicContact CD2-CB 3.63Å; L13-C54 HydrophobicContact CG-CB 3.89Å; T50-C54 PolarHBondContact O-N 3.46Å; T50-C54 PolarHBondContact O-SG 3.13Å; R51-C54 PolarHBondContact O-N 2.77Å; I52-C54 VanDerWaalsContact C-N 3.35Å; I52-C54 PolarHBondContact O-N 3.13Å; C54-R57 PolarHBondContact O-N 2.94Å; C54-E58 WeakPolarHBondContact O-CG 3.32Å; C54-E58 PolarHBondContact O-N 3.28Å |
| 55 | I | 92.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.8 | -47.3 | 175.5 | -70.8 | 164.1 | 0 | 0 | 0 | 110.2 | L13 L26 V30 F35 L38 R51 I52 M53 R57 E58 L59 I162 | L13-I55 HydrophobicContact CD1-CG1 4.38Å; L13-I55 HydrophobicContact CD2-CG1 4.27Å; L26-I55 HydrophobicContact CD1-CD1 4.25Å; L26-I55 HydrophobicContact CD2-CD1 4.16Å; V30-I55 HydrophobicContact CG2-CG2 3.96Å; F35-I55 HydrophobicContact CE2-CG2 3.92Å; F35-I55 HydrophobicContact CZ-CG2 3.8Å; L38-I55 HydrophobicContact CD1-CD1 3.95Å; R51-I55 VanDerWaalsContact O-CG1 3.28Å; R51-I55 WeakPolarHBondContact O-CG1 3.14Å; R51-I55 PolarHBondContact O-N 3.32Å; I52-I55 WeakPolarHBondContact O-CB 3.25Å; I52-I55 PolarHBondContact O-N 3.13Å; I52-I55 VanDerWaalsContact O-N 3.14Å; M53-I55 PolarHBondContact O-N 2.81Å; I55-R57 VanDerWaalsContact C-N 3.33Å; I55-R57 PolarHBondContact O-N 3.49Å; I55-E58 PolarHBondContact O-N 2.63Å; I55-L59 HydrophobicContact CG2-CD1 3.9Å; I55-L59 HydrophobicContact CG2-CG 4.47Å; I55-L59 WeakPolarHBondContact O-CG 3.29Å; I55-L59 PolarHBondContact O-N 3.46Å; I55-I162 HydrophobicContact CG2-CD1 4.25Å |
| 56 | L | 91.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 178.1 | -70.4 | 174.9 | 0 | 0 | 0 | 111.6 | I52 M53 E58 L59 Y60 V64 H92 V131 V133 I162 | I52-L56 HydrophobicContact CG2-CD1 4.33Å; I52-L56 WeakPolarHBondContact O-CG 3.45Å; I52-L56 PolarHBondContact O-N 2.93Å; M53-L56 PolarHBondContact O-N 2.9Å; M53-L56 HydrophobicContact SD-CD1 4.08Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-E58 PolarHBondContact O-N 3.48Å; L56-L59 PolarHBondContact O-N 3.37Å; L56-Y60 HydrophobicContact CD2-CD2 4.5Å; L56-Y60 HydrophobicContact CD2-CE2 4.24Å; L56-Y60 PolarHBondContact O-N 2.93Å; L56-V64 HydrophobicContact CB-CG1 3.73Å; L56-V64 HydrophobicContact CB-CG2 4.27Å; L56-V64 HydrophobicContact CD1-CG1 4.36Å; L56-V64 WeakPolarHBondContact O-CG2 3.45Å; L56-H92 HydrophobicContact CD1-CB 4.27Å; L56-H92 HydrophobicContact CD2-CB 3.98Å; L56-V131 HydrophobicContact CD2-CB 3.83Å; L56-V131 HydrophobicContact CD2-CG1 3.69Å; L56-V131 HydrophobicContact CD2-CG2 4.25Å; L56-V133 HydrophobicContact CD1-CG2 3.93Å; L56-I162 HydrophobicContact CD2-CD1 4.42Å |
| 57 | R | 90.5 | Very high | 89.2 | Confident | 76 Ų | 76 | 42.4 Ų | 42.4 | 29% | 0.287 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.2 | -35.1 | 178.9 | -163.8 | -165.9 | -175.8 | 109.8 | -1.1 | 112.7 | T11 M53 C54 I55 L59 G61 D65 | T11-R57 WeakPolarHBondContact O-CD 3.44Å; M53-R57 WeakPolarHBondContact O-CB 3.27Å; M53-R57 PolarHBondContact O-N 3.31Å; C54-R57 PolarHBondContact O-N 2.94Å; I55-R57 VanDerWaalsContact C-N 3.33Å; I55-R57 PolarHBondContact O-N 3.49Å; R57-L59 VanDerWaalsContact C-N 3.35Å; R57-G61 CarbonylContact O-C 3.51Å; R57-G61 WeakPolarHBondContact O-CA 3.49Å; R57-G61 PolarHBondContact O-N 3.35Å; R57-D65 IonicContact CZ-OD2 2.96Å; R57-D65 IonicContact NH1-OD1 3.58Å; R57-D65 IonicContact NH1-OD2 3.69Å; R57-D65 PolarHBondContact NH1-OD2 3.36Å; R57-D65 IonicContact NH2-OD2 3.52Å |
| 58 | E | 89.6 | Confident | 89.1 | Confident | 63 Ų | 63 | 49.5 Ų | 49.5 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -73.9 | -28.8 | 175.1 | -61.6 | -88.2 | 178.7 | 0 | 0 | 111.3 | L13 V30 C54 I55 L56 | L13-E58 HydrophobicContact CD1-CG 4.11Å; L13-E58 HydrophobicContact CG-CG 4.12Å; L13-E58 PolarHBondContact N-OE1 3.03Å; V30-E58 HydrophobicContact CG1-CB 3.8Å; C54-E58 WeakPolarHBondContact O-CG 3.32Å; C54-E58 PolarHBondContact O-N 3.28Å; I55-E58 PolarHBondContact O-N 2.63Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-E58 PolarHBondContact O-N 3.48Å |
| 59 | L | 88.5 | Confident | 88.7 | Confident | 17 Ų | 17 | 55.6 Ų | 55.6 | 9% | 0.089 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74.2 | -44.5 | 175.7 | -76.1 | 169 | 0 | 0 | 0 | 113.5 | V30 F35 I55 L56 R57 F129 V131 | V30-L59 HydrophobicContact CB-CD2 4.4Å; V30-L59 HydrophobicContact CG1-CD2 3.76Å; V30-L59 HydrophobicContact CG1-CG 3.92Å; V30-L59 HydrophobicContact CG2-CD2 4.43Å; V30-L59 HydrophobicContact CG2-CG 4.27Å; F35-L59 HydrophobicContact CD1-CD1 4.4Å; F35-L59 HydrophobicContact CD2-CD1 4.36Å; F35-L59 HydrophobicContact CD2-CD2 4.18Å; F35-L59 HydrophobicContact CE1-CD1 4.08Å; F35-L59 HydrophobicContact CE2-CD1 4.03Å; F35-L59 HydrophobicContact CG-CD2 4.38Å; F35-L59 HydrophobicContact CZ-CD1 3.87Å; I55-L59 HydrophobicContact CG2-CD1 3.9Å; I55-L59 HydrophobicContact CG2-CG 4.47Å; I55-L59 WeakPolarHBondContact O-CG 3.29Å; I55-L59 PolarHBondContact O-N 3.46Å; L56-L59 PolarHBondContact O-N 3.37Å; R57-L59 VanDerWaalsContact C-N 3.35Å; L59-F129 HydrophobicContact CD2-CZ 4.37Å; L59-V131 HydrophobicContact CD1-CG2 4.46Å |
| 60 | Y | 87.3 | Confident | 88.3 | Confident | 17 Ų | 17 | 53.8 Ų | 53.8 | 7% | 0.067 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -122.5 | 1.7 | -169.4 | -54.3 | -73.9 | 0 | 0 | 0 | 114.4 | L56 V64 F91 K127 F129 V131 | L56-Y60 HydrophobicContact CD2-CD2 4.5Å; L56-Y60 HydrophobicContact CD2-CE2 4.24Å; L56-Y60 PolarHBondContact O-N 2.93Å; Y60-V64 HydrophobicContact CD2-CG2 4.27Å; Y60-V64 HydrophobicContact CG-CG2 4.48Å; Y60-F91 HydrophobicContact CD1-CB 3.73Å; Y60-F91 HydrophobicContact CD1-CD1 4.07Å; Y60-F91 AromaticContact CD1-CG 3.84Å; Y60-F91 HydrophobicContact CD1-CG 3.84Å; Y60-F91 HydrophobicContact CD2-CB 3.64Å; Y60-F91 HydrophobicContact CD2-CG 4.35Å; Y60-F91 HydrophobicContact CE1-CB 4.03Å; Y60-F91 HydrophobicContact CE2-CB 3.95Å; Y60-F91 HydrophobicContact CG-CB 3.52Å; Y60-F91 HydrophobicContact CG-CD1 4.42Å; Y60-F91 HydrophobicContact CG-CD2 4.09Å; Y60-F91 AromaticContact CG-CG 3.74Å; Y60-F91 HydrophobicContact CG-CG 3.74Å; Y60-K127 HydrophobicContact CE1-CB 4.46Å; Y60-F129 WeakPolarHBondContact OH-CD2 3.38Å; Y60-F129 WeakPolarHBondContact OH-CE2 3.22Å; Y60-F129 PolarHBondContact OH-O 2.93Å; Y60-V131 HydrophobicContact CE2-CB 4.41Å; Y60-V131 HydrophobicContact CE2-CG2 3.99Å; Y60-V131 WeakPolarHBondContact OH-CG2 3.11Å |
| 61 | G | 86 | Confident | 87.8 | Confident | 32 Ų | 32 | 58.8 Ų | 58.8 | 33% | 0.33 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | 75.7 | -157.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | R57 G63 V64 | R57-G61 CarbonylContact O-C 3.51Å; R57-G61 WeakPolarHBondContact O-CA 3.49Å; R57-G61 PolarHBondContact O-N 3.35Å; G61-G63 PolarHBondContact O-N 3.09Å; G61-V64 WeakPolarHBondContact O-CG2 3.29Å |
| 62 | S | 82.4 | Confident | 87.1 | Confident | 87 Ų | 87 | 61 Ų | 61 | 61% | 0.608 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -72.1 | -12 | -175.4 | 53.9 | 0 | 0 | 0 | 0 | 114.6 | V64 D65 | S62-V64 PolarHBondContact O-N 2.81Å; S62-D65 PolarHBondContact O-N 3.38Å |
| 63 | G | 81.5 | Confident | 86.4 | Confident | 19 Ų | 19 | 65.5 Ų | 65.5 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -68 | -15.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G61 D65 R66 | G61-G63 PolarHBondContact O-N 3.09Å; G63-D65 VanDerWaalsContact C-N 3.25Å; G63-D65 PolarHBondContact O-N 3.24Å; G63-R66 PolarHBondContact O-N 3.41Å |
| 64 | V | 84.7 | Confident | 85.6 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -60.8 | -33.7 | 172.9 | 177.4 | 0 | 0 | 0 | 0 | 112 | L56 Y60 G61 S62 R66 L67 F91 H92 | L56-V64 HydrophobicContact CB-CG1 3.73Å; L56-V64 HydrophobicContact CB-CG2 4.27Å; L56-V64 HydrophobicContact CD1-CG1 4.36Å; L56-V64 WeakPolarHBondContact O-CG2 3.45Å; Y60-V64 HydrophobicContact CD2-CG2 4.27Å; Y60-V64 HydrophobicContact CG-CG2 4.48Å; G61-V64 WeakPolarHBondContact O-CG2 3.29Å; S62-V64 PolarHBondContact O-N 2.81Å; V64-R66 PolarHBondContact O-N 2.89Å; V64-L67 WeakPolarHBondContact O-CD2 3.32Å; V64-F91 HydrophobicContact CG2-CD2 4.32Å; V64-H92 WeakPolarHBondContact CG1-CE1 3.47Å; V64-H92 PolarHBondContact O-CE1 2.97Å |
| 65 | D | 83.3 | Confident | 84.8 | Confident | 85 Ų | 85 | 68.6 Ų | 68.6 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -71.7 | -12.6 | -176.4 | -63 | -23.8 | 0 | 0 | 0 | 112.3 | R57 S62 G63 L67 | R57-D65 IonicContact CZ-OD2 2.96Å; R57-D65 IonicContact NH1-OD1 3.58Å; R57-D65 IonicContact NH1-OD2 3.69Å; R57-D65 PolarHBondContact NH1-OD2 3.36Å; R57-D65 IonicContact NH2-OD2 3.52Å; S62-D65 PolarHBondContact O-N 3.38Å; G63-D65 VanDerWaalsContact C-N 3.25Å; G63-D65 PolarHBondContact O-N 3.24Å; D65-L67 VanDerWaalsContact C-N 3.31Å; D65-L67 PolarHBondContact O-N 3.38Å |
| 66 | R | 85.9 | Confident | 83.7 | Confident | 190 Ų | 190 | 69 Ų | 69 | 72% | 0.717 | 35% | 0.346 | S | S | * | . | trans | -82.6 | 75 | 176.4 | -64.1 | -176.5 | 177.1 | -175.4 | -0.8 | 110.7 | G63 V64 | G63-R66 PolarHBondContact O-N 3.41Å; V64-R66 PolarHBondContact O-N 2.89Å | ||
| 67 | L | 86.6 | Confident | 82.7 | Confident | 69 Ų | 69 | 73.8 Ų | 73.8 | 36% | 0.361 | 38% | 0.377 | S | S | . | . | trans | -83.2 | 140.5 | 178.9 | -57.3 | 177.3 | 0 | 0 | 0 | 111.2 | V64 D65 V87 S88 | V64-L67 WeakPolarHBondContact O-CD2 3.32Å; D65-L67 VanDerWaalsContact C-N 3.31Å; D65-L67 PolarHBondContact O-N 3.38Å; L67-V87 HydrophobicContact CB-CG1 3.73Å; L67-V87 HydrophobicContact CD1-CG1 3.96Å; L67-V87 HydrophobicContact CD2-CG1 4.04Å; L67-V87 HydrophobicContact CG-CG1 4.11Å; L67-S88 CarbonylContact C-O 3.58Å; L67-S88 WeakPolarHBondContact CA-O 3.37Å | ||
| 68 | R | 89.2 | Confident | 81.9 | Confident | 166 Ų | 166 | 74 Ų | 74 | 63% | 0.626 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 141.9 | 171.8 | -64.3 | 179 | -179.2 | 168.6 | -0.6 | 108.4 | V87 S88 | R68-V87 CarbonylContact O-C 3.6Å; R68-S88 PolarHBondContact N-O 2.98Å; R68-S88 PolarHBondContact O-N 3Å; R68-S88 PolarHBondContact O-OG 2.57Å |
| 69 | M | 85.9 | Confident | 80.9 | Confident | 148 Ų | 148 | 77.9 Ų | 77.9 | 73% | 0.729 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 123 | 171.8 | -64.1 | -164.8 | -58.3 | 0 | 0 | 108.4 | ||
| 70 | E | 84 | Confident | 80.3 | Confident | 80 Ų | 80 | 84 Ų | 84 | 37% | 0.374 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 137.3 | 175.3 | -76.5 | 176.4 | -155.2 | 0 | 0 | 109.2 | H72 T86 S88 | E70-H72 IonicContact OE2-CE1 3.84Å; E70-H72 IonicContact OE2-NE2 3.73Å; E70-T86 PolarHBondContact N-O 2.82Å; E70-T86 PolarHBondContact O-N 2.77Å; E70-T86 PolarHBondContact O-OG1 2.83Å; E70-S88 WeakPolarHBondContact CG-OG 3.35Å; E70-S88 WeakPolarHBondContact OE1-CB 3.44Å; E70-S88 PolarHBondContact OE1-OG 2.8Å |
| 71 | H | 81.3 | Confident | 79.8 | Confident | 137 Ų | 137 | 91.1 Ų | 91.1 | 63% | 0.634 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 112.1 | 176 | -66.2 | -73.5 | 0 | 0 | 0 | 108.8 | ||
| 72 | H | 79.9 | Confident | 79.4 | Confident | 50 Ų | 50 | 90.9 Ų | 90.9 | 23% | 0.231 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 127.7 | 173.8 | -64.4 | -76.1 | 0 | 0 | 0 | 109.6 | E70 F74 N83 L84 T86 | E70-H72 IonicContact OE2-CE1 3.84Å; E70-H72 IonicContact OE2-NE2 3.73Å; H72-F74 HydrophobicContact CB-CD2 4.23Å; H72-F74 HydrophobicContact CB-CE2 3.41Å; H72-F74 VanDerWaalsContact CB-CE2 3.41Å; H72-F74 HydrophobicContact CB-CZ 3.61Å; H72-N83 WeakPolarHBondContact O-CA 3.2Å; H72-L84 PolarHBondContact N-O 3.4Å; H72-L84 PolarHBondContact O-N 2.79Å; H72-T86 PolarHBondContact CD2-OG1 3.47Å; H72-T86 PolarHBondContact NE2-OG1 3.15Å |
| 73 | T | 77.6 | Confident | 79.2 | Confident | 95 Ų | 95 | 92 Ų | 92 | 58% | 0.583 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 113.7 | 174.3 | 64.6 | 0 | 0 | 0 | 0 | 109.2 | N83 | T73-N83 VanDerWaalsContact CG2-OD1 3.3Å; T73-N83 WeakPolarHBondContact CG2-OD1 3.43Å |
| 74 | F | 77.2 | Confident | 79.2 | Confident | 13 Ų | 13 | 91.1 Ų | 91.1 | 6% | 0.057 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 136.6 | 177.1 | -61.3 | -79.2 | 0 | 0 | 0 | 109.8 | H72 K81 V82 L84 V107 E110 | H72-F74 HydrophobicContact CB-CD2 4.23Å; H72-F74 HydrophobicContact CB-CE2 3.41Å; H72-F74 VanDerWaalsContact CB-CE2 3.41Å; H72-F74 HydrophobicContact CB-CZ 3.61Å; F74-K81 CarbonylContact O-C 3.59Å; F74-K81 WeakPolarHBondContact O-CA 3.43Å; F74-V82 PolarHBondContact N-O 3.48Å; F74-V82 PolarHBondContact O-N 3.13Å; F74-L84 HydrophobicContact CD2-CB 4.19Å; F74-L84 HydrophobicContact CE2-CB 3.84Å; F74-L84 HydrophobicContact CE2-CD2 3.85Å; F74-V107 HydrophobicContact CB-CG2 4.13Å; F74-V107 HydrophobicContact CD1-CG2 4.5Å; F74-V107 HydrophobicContact CD2-CB 4.37Å; F74-V107 HydrophobicContact CD2-CG1 3.89Å; F74-V107 HydrophobicContact CD2-CG2 3.8Å; F74-V107 HydrophobicContact CE2-CB 4.43Å; F74-V107 HydrophobicContact CE2-CG1 3.57Å; F74-V107 HydrophobicContact CE2-CG2 4.35Å; F74-V107 HydrophobicContact CG-CG2 3.88Å; F74-V107 HydrophobicContact CZ-CG1 3.96Å; F74-E110 HydrophobicContact CD1-CB 4.4Å; F74-E110 HydrophobicContact CD1-CG 4.35Å; F74-E110 WeakPolarHBondContact CD1-OE2 3.42Å; F74-E110 HydrophobicContact CE1-CB 3.99Å; F74-E110 HydrophobicContact CE1-CG 3.98Å |
| 75 | T | 75 | Confident | 79 | Confident | 94 Ų | 94 | 94 Ų | 94 | 58% | 0.577 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 119 | 171 | 50.1 | 0 | 0 | 0 | 0 | 109.2 | K81 | T75-K81 HydrophobicContact CG2-CG 4.5Å |
| 76 | N | 70.2 | Confident | 79.1 | Confident | 10 Ų | 10 | 90 Ų | 90 | 5% | 0.053 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 167.2 | 176.4 | 78.1 | 3.2 | 0 | 0 | 0 | 111.1 | S78 N79 K80 V82 Y103 | N76-S78 PolarHBondContact O-N 3.3Å; N76-S78 VanDerWaalsContact O-N 3.09Å; N76-S78 WeakPolarHBondContact OD1-CA 3.07Å; N76-S78 WeakPolarHBondContact OD1-CB 3.43Å; N76-S78 PolarHBondContact OD1-N 3.2Å; N76-N79 PolarHBondContact O-N 3.39Å; N76-N79 PolarHBondContact OD1-N 3.24Å; N76-K80 PolarHBondContact N-O 3.03Å; N76-K80 WeakPolarHBondContact ND2-CB 3.42Å; N76-K80 WeakPolarHBondContact OD1-CA 3.43Å; N76-K80 PolarHBondContact OD1-N 3.3Å; N76-K80 PolarHBondContact OD1-O 2.83Å; N76-V82 HydrophobicContact CB-CG2 4.47Å; N76-Y103 HydrophobicContact CB-CD1 4.31Å; N76-Y103 HydrophobicContact CB-CE1 4.31Å |
| 77 | P | 70.9 | Confident | 79.1 | Confident | 100 Ų | 100 | 83 Ų | 83 | 65% | 0.649 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19.1 | 175.1 | -23.5 | 34.5 | 0 | 0 | 0 | 113.8 | N79 I106 | P77-N79 VanDerWaalsContact C-N 3.35Å; P77-I106 HydrophobicContact CG-CD1 3.53Å |
| 78 | S | 72.2 | Confident | 79 | Confident | 81 Ų | 81 | 80 Ų | 80 | 57% | 0.566 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 16.4 | 176.5 | -47.1 | 0 | 0 | 0 | 0 | 113.2 | N76 K80 | N76-S78 PolarHBondContact O-N 3.3Å; N76-S78 VanDerWaalsContact O-N 3.09Å; N76-S78 WeakPolarHBondContact OD1-CA 3.07Å; N76-S78 WeakPolarHBondContact OD1-CB 3.43Å; N76-S78 PolarHBondContact OD1-N 3.2Å; S78-K80 PolarHBondContact O-N 3.23Å; S78-K80 VanDerWaalsContact O-N 3.09Å |
| 79 | N | 70.4 | Confident | 78.7 | Confident | 145 Ų | 145 | 72.8 Ų | 72.8 | 78% | 0.775 | 39% | 0.389 | S | S | * | . | S | Bend | trans | 56 | 14.9 | -176.9 | -72.7 | -29.2 | 0 | 0 | 0 | 117.5 | N76 P77 | N76-N79 PolarHBondContact O-N 3.39Å; N76-N79 PolarHBondContact OD1-N 3.24Å; P77-N79 VanDerWaalsContact C-N 3.35Å |
| 80 | K | 75.5 | Confident | 78.4 | Confident | 146 Ų | 146 | 70 Ų | 70 | 64% | 0.635 | 38% | 0.378 | S | S | * | . | trans | -83.5 | 139 | 166.2 | -52.1 | -176.1 | 175.1 | -178.8 | 0 | 110.6 | N76 S78 | N76-K80 PolarHBondContact N-O 3.03Å; N76-K80 WeakPolarHBondContact ND2-CB 3.42Å; N76-K80 WeakPolarHBondContact OD1-CA 3.43Å; N76-K80 PolarHBondContact OD1-N 3.3Å; N76-K80 PolarHBondContact OD1-O 2.83Å; S78-K80 PolarHBondContact O-N 3.23Å; S78-K80 VanDerWaalsContact O-N 3.09Å | ||
| 81 | K | 76.4 | Confident | 78.4 | Confident | 165 Ų | 165 | 67.2 Ų | 67.2 | 72% | 0.717 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 124.9 | 174.6 | -62.6 | -177.3 | -179.1 | -177.6 | 0 | 109.6 | F74 T75 | F74-K81 CarbonylContact O-C 3.59Å; F74-K81 WeakPolarHBondContact O-CA 3.43Å; T75-K81 HydrophobicContact CG2-CG 4.5Å |
| 82 | V | 76.9 | Confident | 78.8 | Confident | 28 Ų | 28 | 60.7 Ų | 60.7 | 17% | 0.17 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 121.7 | 172.6 | -178.9 | 0 | 0 | 0 | 0 | 107.1 | F74 N76 Y103 | F74-V82 PolarHBondContact N-O 3.48Å; F74-V82 PolarHBondContact O-N 3.13Å; N76-V82 HydrophobicContact CB-CG2 4.47Å; V82-Y103 HydrophobicContact CG2-CD2 4.05Å |
| 83 | N | 78.3 | Confident | 79.2 | Confident | 109 Ų | 109 | 58.3 Ų | 58.3 | 58% | 0.583 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 125 | 179.6 | -61 | -22 | 0 | 0 | 0 | 108.6 | H72 T73 | H72-N83 WeakPolarHBondContact O-CA 3.2Å; T73-N83 VanDerWaalsContact CG2-OD1 3.3Å; T73-N83 WeakPolarHBondContact CG2-OD1 3.43Å |
| 84 | L | 81.1 | Confident | 79.9 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124.7 | 173.9 | 177.5 | 83.6 | 0 | 0 | 0 | 108.2 | H72 F74 T86 V95 D99 V100 V107 L111 | H72-L84 PolarHBondContact N-O 3.4Å; H72-L84 PolarHBondContact O-N 2.79Å; F74-L84 HydrophobicContact CD2-CB 4.19Å; F74-L84 HydrophobicContact CE2-CB 3.84Å; F74-L84 HydrophobicContact CE2-CD2 3.85Å; L84-T86 HydrophobicContact CD2-CG2 3.22Å; L84-T86 HydrophobicContact CG-CG2 3.69Å; L84-V95 HydrophobicContact CD1-CG1 4.15Å; L84-V95 HydrophobicContact CD2-CG1 4.06Å; L84-D99 HydrophobicContact CD1-CB 4.28Å; L84-V100 HydrophobicContact CD1-CG2 3.32Å; L84-V107 HydrophobicContact CD2-CG1 3.81Å; L84-L111 HydrophobicContact CD2-CD1 3.66Å |
| 85 | S | 81.4 | Confident | 80.5 | Confident | 60 Ų | 60 | 53.6 Ų | 53.6 | 42% | 0.42 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 120.7 | 165.6 | 47.5 | 0 | 0 | 0 | 0 | 109.7 | ||
| 86 | T | 84.4 | Confident | 81.1 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 150.4 | 174.5 | 57.4 | 0 | 0 | 0 | 0 | 110.3 | E70 H72 L84 L93 V95 L111 | E70-T86 PolarHBondContact N-O 2.82Å; E70-T86 PolarHBondContact O-N 2.77Å; E70-T86 PolarHBondContact O-OG1 2.83Å; H72-T86 PolarHBondContact CD2-OG1 3.47Å; H72-T86 PolarHBondContact NE2-OG1 3.15Å; L84-T86 HydrophobicContact CD2-CG2 3.22Å; L84-T86 HydrophobicContact CG-CG2 3.69Å; T86-L93 HydrophobicContact CG2-CD1 4.47Å; T86-V95 HydrophobicContact CG2-CG1 4.34Å; T86-V95 HydrophobicContact CG2-CG2 3.95Å; T86-L111 HydrophobicContact CG2-CD1 3.91Å |
| 87 | V | 86.4 | Confident | 81.4 | Confident | 42 Ų | 42 | 50.9 Ų | 50.9 | 26% | 0.255 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 106.3 | 174 | -174.9 | 0 | 0 | 0 | 0 | 107.3 | L67 R68 E94 | L67-V87 HydrophobicContact CB-CG1 3.73Å; L67-V87 HydrophobicContact CD1-CG1 3.96Å; L67-V87 HydrophobicContact CD2-CG1 4.04Å; L67-V87 HydrophobicContact CG-CG1 4.11Å; R68-V87 CarbonylContact O-C 3.6Å; V87-E94 HydrophobicContact CB-CB 4.29Å; V87-E94 PolarHBondContact N-O 2.94Å; V87-E94 VanDerWaalsContact N-O 3.13Å; V87-E94 PolarHBondContact O-N 2.8Å |
| 88 | S | 84.2 | Confident | 81.6 | Confident | 8 Ų | 8 | 48.6 Ų | 48.6 | 6% | 0.056 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 150.9 | -179.2 | 71.6 | 0 | 0 | 0 | 0 | 111.2 | L67 R68 E70 | L67-S88 CarbonylContact C-O 3.58Å; L67-S88 WeakPolarHBondContact CA-O 3.37Å; R68-S88 PolarHBondContact N-O 2.98Å; R68-S88 PolarHBondContact O-N 3Å; R68-S88 PolarHBondContact O-OG 2.57Å; E70-S88 WeakPolarHBondContact CG-OG 3.35Å; E70-S88 WeakPolarHBondContact OE1-CB 3.44Å; E70-S88 PolarHBondContact OE1-OG 2.8Å |
| 89 | S | 83.9 | Confident | 81.8 | Confident | 13 Ų | 13 | 49 Ų | 49 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | trans | -135 | 167.8 | 166.2 | -178.5 | 0 | 0 | 0 | 0 | 107.2 | F91 H92 | S89-F91 PolarHBondContact O-N 2.93Å; S89-F91 VanDerWaalsContact O-N 3.09Å; S89-H92 WeakPolarHBondContact CA-O 3.36Å; S89-H92 WeakPolarHBondContact CB-CE1 3.29Å; S89-H92 VanDerWaalsContact CB-ND1 3.32Å; S89-H92 WeakPolarHBondContact CB-ND1 3.33Å; S89-H92 WeakPolarHBondContact CB-O 3.16Å; S89-H92 PolarHBondContact N-O 3.17Å; S89-H92 VanDerWaalsContact O-O 3.11Å | ||
| 90 | N | 79.8 | Confident | 82.1 | Confident | 90 Ų | 90 | 42.6 Ų | 42.6 | 48% | 0.481 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -58 | -28.3 | 177.6 | -64.9 | -14.5 | 0 | 0 | 0 | 112.5 | ||
| 91 | F | 83.7 | Confident | 82.1 | Confident | 21 Ų | 21 | 37.7 Ų | 37.7 | 9% | 0.092 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -111 | -24.5 | -172.2 | -47.6 | -55.8 | 0 | 0 | 0 | 114.4 | Y60 V64 S89 V131 | Y60-F91 HydrophobicContact CD1-CB 3.73Å; Y60-F91 HydrophobicContact CD1-CD1 4.07Å; Y60-F91 AromaticContact CD1-CG 3.84Å; Y60-F91 HydrophobicContact CD1-CG 3.84Å; Y60-F91 HydrophobicContact CD2-CB 3.64Å; Y60-F91 HydrophobicContact CD2-CG 4.35Å; Y60-F91 HydrophobicContact CE1-CB 4.03Å; Y60-F91 HydrophobicContact CE2-CB 3.95Å; Y60-F91 HydrophobicContact CG-CB 3.52Å; Y60-F91 HydrophobicContact CG-CD1 4.42Å; Y60-F91 HydrophobicContact CG-CD2 4.09Å; Y60-F91 AromaticContact CG-CG 3.74Å; Y60-F91 HydrophobicContact CG-CG 3.74Å; V64-F91 HydrophobicContact CG2-CD2 4.32Å; S89-F91 PolarHBondContact O-N 2.93Å; S89-F91 VanDerWaalsContact O-N 3.09Å; F91-V131 PolarHBondContact O-N 2.83Å; F91-V131 VanDerWaalsContact O-N 3.13Å |
| 92 | H | 88.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 159.6 | -176.2 | 75.5 | -76.7 | 0 | 0 | 0 | 112.9 | L56 V64 S89 V131 | L56-H92 HydrophobicContact CD1-CB 4.27Å; L56-H92 HydrophobicContact CD2-CB 3.98Å; V64-H92 WeakPolarHBondContact CG1-CE1 3.47Å; V64-H92 PolarHBondContact O-CE1 2.97Å; S89-H92 WeakPolarHBondContact CA-O 3.36Å; S89-H92 WeakPolarHBondContact CB-CE1 3.29Å; S89-H92 VanDerWaalsContact CB-ND1 3.32Å; S89-H92 WeakPolarHBondContact CB-ND1 3.33Å; S89-H92 WeakPolarHBondContact CB-O 3.16Å; S89-H92 PolarHBondContact N-O 3.17Å; S89-H92 VanDerWaalsContact O-O 3.11Å; H92-V131 CarbonylContact C-O 3.57Å; H92-V131 WeakPolarHBondContact CA-O 3.35Å; H92-V131 HydrophobicContact CB-CB 4.24Å; H92-V131 WeakPolarHBondContact CB-O 3.37Å |
| 93 | L | 89.9 | Confident | 82.3 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 122.6 | 175.9 | -179.6 | 67.4 | 0 | 0 | 0 | 109 | T86 V95 L111 M115 V131 V132 V133 | T86-L93 HydrophobicContact CG2-CD1 4.47Å; L93-V95 HydrophobicContact CD2-CG2 4.26Å; L93-V95 HydrophobicContact CG-CG2 4.03Å; L93-L111 HydrophobicContact CD2-CD1 3.96Å; L93-L111 HydrophobicContact CD2-CD2 3.41Å; L93-L111 VanDerWaalsContact CD2-CD2 3.41Å; L93-L111 HydrophobicContact CD2-CG 3.65Å; L93-M115 HydrophobicContact CB-CE 3.8Å; L93-M115 HydrophobicContact CB-SD 4.27Å; L93-M115 HydrophobicContact CD2-CE 4.37Å; L93-M115 HydrophobicContact CD2-CG 3.59Å; L93-M115 HydrophobicContact CD2-SD 3.78Å; L93-V131 PolarHBondContact N-O 3.23Å; L93-V132 HydrophobicContact CB-CG2 4.43Å; L93-V132 CarbonylContact O-C 3.57Å; L93-V132 WeakPolarHBondContact O-CA 3.3Å; L93-V133 PolarHBondContact O-N 3.45Å |
| 94 | E | 91.2 | Very high | 82.6 | Confident | 7 Ų | 7 | 34.7 Ų | 34.7 | 3% | 0.033 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 133.4 | 172.1 | -53.1 | -164.5 | 149.2 | 0 | 0 | 110.5 | R49 V87 V133 H135 | R49-E94 IonicContact CZ-OE2 2.76Å; R49-E94 VanDerWaalsContact CZ-OE2 3.25Å; R49-E94 IonicContact NH1-OE1 3.64Å; R49-E94 IonicContact NH1-OE2 2.77Å; R49-E94 PolarHBondContact NH1-OE2 3.2Å; R49-E94 IonicContact NH2-OE1 3.78Å; R49-E94 IonicContact NH2-OE2 3.58Å; R49-E94 PolarHBondContact NH2-OE2 3.49Å; V87-E94 HydrophobicContact CB-CB 4.29Å; V87-E94 PolarHBondContact N-O 2.94Å; V87-E94 VanDerWaalsContact N-O 3.13Å; V87-E94 PolarHBondContact O-N 2.8Å; E94-V133 WeakPolarHBondContact CA-O 3.36Å; E94-V133 HydrophobicContact CG-CB 4.21Å; E94-H135 IonicContact OE1-NE2 3Å; E94-H135 IonicContact OE2-NE2 3.75Å |
| 95 | V | 89.6 | Confident | 82.8 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 137.2 | 177.6 | -170.3 | 0 | 0 | 0 | 0 | 109.4 | L84 T86 L93 L111 V133 L134 H135 | L84-V95 HydrophobicContact CD1-CG1 4.15Å; L84-V95 HydrophobicContact CD2-CG1 4.06Å; T86-V95 HydrophobicContact CG2-CG1 4.34Å; T86-V95 HydrophobicContact CG2-CG2 3.95Å; L93-V95 HydrophobicContact CD2-CG2 4.26Å; L93-V95 HydrophobicContact CG-CG2 4.03Å; V95-L111 HydrophobicContact CG1-CD1 4.32Å; V95-L111 HydrophobicContact CG2-CD1 3.57Å; V95-L111 HydrophobicContact CG2-CD2 3.99Å; V95-L111 HydrophobicContact CG2-CG 4.42Å; V95-V133 PolarHBondContact N-O 3.35Å; V95-L134 HydrophobicContact CB-CD2 3.83Å; V95-L134 HydrophobicContact CG2-CD2 4.3Å; V95-H135 PolarHBondContact O-N 3.49Å |
| 96 | N | 87.9 | Confident | 82.9 | Confident | 43 Ų | 43 | 40.2 Ų | 40.2 | 23% | 0.23 | 22% | 0.215 | C | C | . | . | trans | -100.6 | 117.1 | 164.8 | -165.5 | -17.8 | 0 | 0 | 0 | 109.5 | S98 D99 E136 | N96-S98 PolarHBondContact O-N 2.93Å; N96-S98 WeakPolarHBondContact OD1-CB 3.46Å; N96-S98 PolarHBondContact OD1-N 3.1Å; N96-S98 VanDerWaalsContact OD1-N 3.08Å; N96-S98 PolarHBondContact OD1-OG 2.93Å; N96-D99 PolarHBondContact O-N 2.88Å; N96-E136 PolarHBondContact ND2-OE2 2.9Å; N96-E136 VanDerWaalsContact ND2-OE2 3.12Å; N96-E136 PolarHBondContact OD1-OE2 3.33Å | ||
| 97 | P | 76.6 | Confident | 82.9 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -66 | -22.6 | 178 | 29.3 | -36.7 | 0 | 0 | 0 | 113.3 | D99 V100 H135 E136 L140 | P97-D99 PolarHBondContact O-N 2.9Å; P97-D99 VanDerWaalsContact O-N 3.12Å; P97-V100 PolarHBondContact O-N 2.87Å; P97-V100 VanDerWaalsContact O-N 3.15Å; P97-H135 WeakPolarHBondContact CD-O 3.29Å; P97-H135 WeakPolarHBondContact CG-O 3.36Å; P97-E136 VanDerWaalsContact CG-O 3.31Å; P97-E136 WeakPolarHBondContact CG-O 3.27Å; P97-L140 HydrophobicContact CB-CD2 3.37Å; P97-L140 HydrophobicContact CB-CG 3.71Å; P97-L140 HydrophobicContact CG-CD2 4.26Å; P97-L140 HydrophobicContact CG-CG 4.06Å |
| 98 | S | 75.9 | Confident | 82.9 | Confident | 52 Ų | 52 | 38.3 Ų | 38.3 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -58.2 | -25.4 | -179.9 | -60.2 | 0 | 0 | 0 | 0 | 112.8 | N96 V100 E136 H139 | N96-S98 PolarHBondContact O-N 2.93Å; N96-S98 WeakPolarHBondContact OD1-CB 3.46Å; N96-S98 PolarHBondContact OD1-N 3.1Å; N96-S98 VanDerWaalsContact OD1-N 3.08Å; N96-S98 PolarHBondContact OD1-OG 2.93Å; S98-V100 PolarHBondContact O-N 3.46Å; S98-E136 PolarHBondContact OG-OE2 2.93Å; S98-H139 PolarHBondContact OG-CD2 2.77Å |
| 99 | D | 76.1 | Confident | 82.9 | Confident | 90 Ų | 90 | 39.8 Ų | 39.8 | 48% | 0.481 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -75.1 | -20.9 | -178.5 | -61.1 | -21.4 | 0 | 0 | 0 | 113.6 | L84 N96 P97 | L84-D99 HydrophobicContact CD1-CB 4.28Å; N96-D99 PolarHBondContact O-N 2.88Å; P97-D99 PolarHBondContact O-N 2.9Å; P97-D99 VanDerWaalsContact O-N 3.12Å |
| 100 | V | 76.4 | Confident | 83 | Confident | 9 Ų | 9 | 43.7 Ų | 43.7 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -23.4 | -170.7 | -169.8 | 0 | 0 | 0 | 0 | 113.1 | L84 P97 S98 I102 D104 V107 | L84-V100 HydrophobicContact CD1-CG2 3.32Å; P97-V100 PolarHBondContact O-N 2.87Å; P97-V100 VanDerWaalsContact O-N 3.15Å; S98-V100 PolarHBondContact O-N 3.46Å; V100-I102 PolarHBondContact O-N 3.37Å; V100-D104 HydrophobicContact CB-CB 4.49Å; V100-D104 HydrophobicContact CG1-CB 4.5Å; V100-V107 HydrophobicContact CG1-CB 3.81Å; V100-V107 HydrophobicContact CG1-CG1 4.22Å; V100-V107 HydrophobicContact CG1-CG2 3.46Å; V100-V107 VanDerWaalsContact CG1-CG2 3.46Å; V100-V107 HydrophobicContact CG2-CB 4.42Å; V100-V107 HydrophobicContact CG2-CG1 3.97Å |
| 101 | G | 76.3 | Confident | 83.2 | Confident | 44 Ų | 44 | 39.4 Ų | 39.4 | 45% | 0.454 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | 59.4 | -133 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y103 D104 | G101-Y103 PolarHBondContact O-N 3.15Å; G101-D104 WeakPolarHBondContact O-CB 3.45Å; G101-D104 PolarHBondContact O-N 2.66Å |
| 102 | I | 76.4 | Confident | 83.4 | Confident | 148 Ų | 148 | 38.6 Ų | 38.6 | 76% | 0.759 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -68.4 | -19.1 | -170 | -51.8 | 169.5 | 0 | 0 | 0 | 112.9 | V100 D104 | V100-I102 PolarHBondContact O-N 3.37Å; I102-D104 VanDerWaalsContact C-N 3.3Å; I102-D104 PolarHBondContact O-N 3.24Å |
| 103 | Y | 80.2 | Confident | 83.3 | Confident | 88 Ų | 88 | 43.1 Ų | 43.1 | 35% | 0.345 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -90.8 | 8.6 | -176.9 | -54.8 | -66.1 | 0 | 0 | 0 | 113.7 | N76 V82 G101 R105 I106 V107 | N76-Y103 HydrophobicContact CB-CD1 4.31Å; N76-Y103 HydrophobicContact CB-CE1 4.31Å; V82-Y103 HydrophobicContact CG2-CD2 4.05Å; G101-Y103 PolarHBondContact O-N 3.15Å; Y103-R105 PolarHBondContact O-N 3.16Å; Y103-R105 VanDerWaalsContact O-N 3.13Å; Y103-I106 PolarHBondContact O-N 3.11Å; Y103-I106 VanDerWaalsContact O-N 3.13Å; Y103-V107 PolarHBondContact O-N 3.26Å |
| 104 | D | 84.2 | Confident | 83.1 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -48.3 | -39.4 | -178.7 | 61.5 | -9.5 | 0 | 0 | 0 | 113.8 | V100 G101 I102 I106 V107 I108 L140 T141 A144 | V100-D104 HydrophobicContact CB-CB 4.49Å; V100-D104 HydrophobicContact CG1-CB 4.5Å; G101-D104 WeakPolarHBondContact O-CB 3.45Å; G101-D104 PolarHBondContact O-N 2.66Å; I102-D104 VanDerWaalsContact C-N 3.3Å; I102-D104 PolarHBondContact O-N 3.24Å; D104-I106 VanDerWaalsContact C-N 3.34Å; D104-I106 PolarHBondContact O-N 3.5Å; D104-V107 PolarHBondContact O-N 3.41Å; D104-I108 WeakPolarHBondContact O-CB 3.4Å; D104-I108 WeakPolarHBondContact O-CG1 3.43Å; D104-I108 PolarHBondContact O-N 3.36Å; D104-L140 HydrophobicContact CB-CD2 4.01Å; D104-T141 VanDerWaalsContact CG-OG1 3.29Å; D104-T141 PolarHBondContact OD1-OG1 3.08Å; D104-T141 WeakPolarHBondContact OD2-CB 3.32Å; D104-T141 VanDerWaalsContact OD2-CG2 3.3Å; D104-T141 WeakPolarHBondContact OD2-CG2 3.14Å; D104-T141 PolarHBondContact OD2-N 2.89Å; D104-T141 PolarHBondContact OD2-OG1 3.26Å; D104-A144 HydrophobicContact CB-CB 4.11Å; D104-A144 WeakPolarHBondContact OD1-CB 3.21Å; D104-A144 WeakPolarHBondContact OD2-CB 3.39Å |
| 105 | R | 86 | Confident | 82.7 | Confident | 112 Ų | 112 | 46.4 Ų | 46.4 | 42% | 0.423 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.7 | -43.9 | -179.6 | 174.2 | 178.2 | 165.8 | 178.1 | -2.2 | 113.3 | Y103 Q109 A144 A147 | Y103-R105 PolarHBondContact O-N 3.16Å; Y103-R105 VanDerWaalsContact O-N 3.13Å; R105-Q109 VanDerWaalsContact O-CG 3.31Å; R105-Q109 WeakPolarHBondContact O-CG 3.44Å; R105-Q109 PolarHBondContact O-N 2.91Å; R105-A144 HydrophobicContact CB-CB 4.14Å; R105-A147 HydrophobicContact CG-CB 3.99Å |
| 106 | I | 83.1 | Confident | 82.3 | Confident | 65 Ų | 65 | 47 Ų | 47 | 33% | 0.333 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -76.1 | -48.4 | -174.8 | -61.8 | 170.7 | 0 | 0 | 0 | 108.7 | P77 Y103 D104 I108 Q109 E110 | P77-I106 HydrophobicContact CG-CD1 3.53Å; Y103-I106 PolarHBondContact O-N 3.11Å; Y103-I106 VanDerWaalsContact O-N 3.13Å; D104-I106 VanDerWaalsContact C-N 3.34Å; D104-I106 PolarHBondContact O-N 3.5Å; I106-I108 PolarHBondContact O-N 2.93Å; I106-Q109 PolarHBondContact O-N 3.33Å; I106-E110 PolarHBondContact O-N 3.25Å |
| 107 | V | 84.2 | Confident | 81.9 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.4 | -48.9 | -178.3 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | F74 L84 V100 Y103 D104 Q109 E110 L111 | F74-V107 HydrophobicContact CB-CG2 4.13Å; F74-V107 HydrophobicContact CD1-CG2 4.5Å; F74-V107 HydrophobicContact CD2-CB 4.37Å; F74-V107 HydrophobicContact CD2-CG1 3.89Å; F74-V107 HydrophobicContact CD2-CG2 3.8Å; F74-V107 HydrophobicContact CE2-CB 4.43Å; F74-V107 HydrophobicContact CE2-CG1 3.57Å; F74-V107 HydrophobicContact CE2-CG2 4.35Å; F74-V107 HydrophobicContact CG-CG2 3.88Å; F74-V107 HydrophobicContact CZ-CG1 3.96Å; L84-V107 HydrophobicContact CD2-CG1 3.81Å; V100-V107 HydrophobicContact CG1-CB 3.81Å; V100-V107 HydrophobicContact CG1-CG1 4.22Å; V100-V107 HydrophobicContact CG1-CG2 3.46Å; V100-V107 VanDerWaalsContact CG1-CG2 3.46Å; V100-V107 HydrophobicContact CG2-CB 4.42Å; V100-V107 HydrophobicContact CG2-CG1 3.97Å; Y103-V107 PolarHBondContact O-N 3.26Å; D104-V107 PolarHBondContact O-N 3.41Å; V107-Q109 VanDerWaalsContact C-N 3.34Å; V107-Q109 PolarHBondContact O-N 3.08Å; V107-E110 PolarHBondContact O-N 3.12Å; V107-L111 WeakPolarHBondContact O-CB 3.43Å; V107-L111 PolarHBondContact O-N 2.81Å |
| 108 | I | 86.4 | Confident | 81.8 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.5 | -39.6 | -179.7 | -66.5 | -66.6 | 0 | 0 | 0 | 111.7 | D104 I106 I112 L134 L140 L148 | D104-I108 WeakPolarHBondContact O-CB 3.4Å; D104-I108 WeakPolarHBondContact O-CG1 3.43Å; D104-I108 PolarHBondContact O-N 3.36Å; I106-I108 PolarHBondContact O-N 2.93Å; I108-I112 HydrophobicContact CG2-CD1 3.8Å; I108-I112 WeakPolarHBondContact O-CB 3.26Å; I108-I112 WeakPolarHBondContact O-CD1 3.35Å; I108-I112 VanDerWaalsContact O-CG1 3.25Å; I108-I112 WeakPolarHBondContact O-CG1 3.45Å; I108-I112 PolarHBondContact O-N 2.82Å; I108-I112 VanDerWaalsContact O-N 3.09Å; I108-L134 HydrophobicContact CD1-CD1 4.45Å; I108-L134 HydrophobicContact CD1-CD2 3.87Å; I108-L140 HydrophobicContact CD1-CD2 4.49Å; I108-L140 HydrophobicContact CG1-CD2 4.1Å; I108-L148 HydrophobicContact CG2-CD1 3.82Å |
| 109 | Q | 85.1 | Confident | 81.2 | Confident | 39 Ų | 39 | 54.1 Ų | 54.1 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 177.9 | -76 | -176.2 | 31.6 | 0 | 0 | 112.4 | R105 I106 V107 K113 A147 T151 | R105-Q109 VanDerWaalsContact O-CG 3.31Å; R105-Q109 WeakPolarHBondContact O-CG 3.44Å; R105-Q109 PolarHBondContact O-N 2.91Å; I106-Q109 PolarHBondContact O-N 3.33Å; V107-Q109 VanDerWaalsContact C-N 3.34Å; V107-Q109 PolarHBondContact O-N 3.08Å; Q109-K113 WeakPolarHBondContact O-CB 3.37Å; Q109-K113 WeakPolarHBondContact O-CD 2.82Å; Q109-K113 WeakPolarHBondContact O-CG 2.79Å; Q109-K113 PolarHBondContact O-N 2.78Å; Q109-A147 HydrophobicContact CG-CB 3.81Å; Q109-T151 HydrophobicContact CG-CG2 4.12Å |
| 110 | E | 84.7 | Confident | 80.6 | Confident | 94 Ų | 94 | 51.8 Ų | 51.8 | 44% | 0.439 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -70.9 | -41.7 | -177.6 | -169.1 | 169.7 | 178.6 | 0 | 0 | 111.6 | F74 I106 V107 I112 K113 S114 | F74-E110 HydrophobicContact CD1-CB 4.4Å; F74-E110 HydrophobicContact CD1-CG 4.35Å; F74-E110 WeakPolarHBondContact CD1-OE2 3.42Å; F74-E110 HydrophobicContact CE1-CB 3.99Å; F74-E110 HydrophobicContact CE1-CG 3.98Å; I106-E110 PolarHBondContact O-N 3.25Å; V107-E110 PolarHBondContact O-N 3.12Å; E110-I112 PolarHBondContact O-N 3.3Å; E110-K113 WeakPolarHBondContact O-CB 3.17Å; E110-K113 PolarHBondContact O-N 2.94Å; E110-S114 PolarHBondContact O-N 2.78Å; E110-S114 PolarHBondContact O-OG 2.96Å |
| 111 | L | 85.5 | Confident | 79.8 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.8 | -48.3 | 174.8 | -176.3 | 149.3 | 0 | 0 | 0 | 111.3 | L84 T86 L93 V95 V107 K113 S114 M115 V132 | L84-L111 HydrophobicContact CD2-CD1 3.66Å; T86-L111 HydrophobicContact CG2-CD1 3.91Å; L93-L111 HydrophobicContact CD2-CD1 3.96Å; L93-L111 HydrophobicContact CD2-CD2 3.41Å; L93-L111 VanDerWaalsContact CD2-CD2 3.41Å; L93-L111 HydrophobicContact CD2-CG 3.65Å; V95-L111 HydrophobicContact CG1-CD1 4.32Å; V95-L111 HydrophobicContact CG2-CD1 3.57Å; V95-L111 HydrophobicContact CG2-CD2 3.99Å; V95-L111 HydrophobicContact CG2-CG 4.42Å; V107-L111 WeakPolarHBondContact O-CB 3.43Å; V107-L111 PolarHBondContact O-N 2.81Å; L111-K113 VanDerWaalsContact C-N 3.33Å; L111-K113 PolarHBondContact O-N 3.49Å; L111-S114 PolarHBondContact O-N 3.48Å; L111-S114 PolarHBondContact O-OG 2.91Å; L111-M115 WeakPolarHBondContact O-CG 3.31Å; L111-M115 PolarHBondContact O-N 3.32Å; L111-V132 HydrophobicContact CD2-CG1 4.14Å |
| 112 | I | 87 | Confident | 78.8 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.015 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.9 | -37.5 | 177.1 | -65.2 | 168.7 | 0 | 0 | 0 | 111.4 | I108 E110 M115 A116 L148 Y155 L161 | I108-I112 HydrophobicContact CG2-CD1 3.8Å; I108-I112 WeakPolarHBondContact O-CB 3.26Å; I108-I112 WeakPolarHBondContact O-CD1 3.35Å; I108-I112 VanDerWaalsContact O-CG1 3.25Å; I108-I112 WeakPolarHBondContact O-CG1 3.45Å; I108-I112 PolarHBondContact O-N 2.82Å; I108-I112 VanDerWaalsContact O-N 3.09Å; E110-I112 PolarHBondContact O-N 3.3Å; I112-M115 PolarHBondContact O-N 3.48Å; I112-A116 VanDerWaalsContact O-CB 3.22Å; I112-A116 WeakPolarHBondContact O-CB 3.45Å; I112-A116 PolarHBondContact O-N 3.12Å; I112-L148 HydrophobicContact CD1-CD1 3.43Å; I112-L148 VanDerWaalsContact CD1-CD1 3.43Å; I112-Y155 HydrophobicContact CG2-CD2 4.09Å; I112-L161 HydrophobicContact CD1-CD1 4.49Å; I112-L161 HydrophobicContact CD1-CD2 4.49Å |
| 113 | K | 87.2 | Confident | 77.9 | Confident | 96 Ų | 96 | 60.6 Ų | 60.6 | 42% | 0.417 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 176.3 | -76 | 169.2 | -173.7 | 175.3 | 0 | 111.9 | Q109 E110 L111 M115 A116 S117 Y155 | Q109-K113 WeakPolarHBondContact O-CB 3.37Å; Q109-K113 WeakPolarHBondContact O-CD 2.82Å; Q109-K113 WeakPolarHBondContact O-CG 2.79Å; Q109-K113 PolarHBondContact O-N 2.78Å; E110-K113 WeakPolarHBondContact O-CB 3.17Å; E110-K113 PolarHBondContact O-N 2.94Å; L111-K113 VanDerWaalsContact C-N 3.33Å; L111-K113 PolarHBondContact O-N 3.49Å; K113-M115 VanDerWaalsContact C-N 3.31Å; K113-M115 PolarHBondContact O-N 3.33Å; K113-A116 PolarHBondContact O-N 3.33Å; K113-S117 PolarHBondContact O-N 2.91Å; K113-S117 PolarHBondContact O-OG 3.44Å; K113-Y155 HydrophobicContact CG-CE2 3.95Å |
| 114 | S | 84.2 | Confident | 76.8 | Confident | 48 Ų | 48 | 60 Ų | 60 | 34% | 0.336 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.2 | -37.8 | 179 | 70.7 | 0 | 0 | 0 | 0 | 112.2 | E110 L111 S117 T118 | E110-S114 PolarHBondContact O-N 2.78Å; E110-S114 PolarHBondContact O-OG 2.96Å; L111-S114 PolarHBondContact O-N 3.48Å; L111-S114 PolarHBondContact O-OG 2.91Å; S114-S117 WeakPolarHBondContact CA-OG 3.21Å; S114-S117 PolarHBondContact O-OG 2.93Å; S114-T118 PolarHBondContact O-N 3.14Å; S114-T118 PolarHBondContact O-OG1 3.44Å |
| 115 | M | 83.1 | Confident | 75.6 | Confident | 28 Ų | 28 | 69.1 Ų | 69.1 | 14% | 0.138 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -69.9 | -41 | 175.7 | -72 | -59.3 | -68.4 | 0 | 0 | 112.1 | L93 L111 I112 K113 S117 T118 K130 V132 | L93-M115 HydrophobicContact CB-CE 3.8Å; L93-M115 HydrophobicContact CB-SD 4.27Å; L93-M115 HydrophobicContact CD2-CE 4.37Å; L93-M115 HydrophobicContact CD2-CG 3.59Å; L93-M115 HydrophobicContact CD2-SD 3.78Å; L111-M115 WeakPolarHBondContact O-CG 3.31Å; L111-M115 PolarHBondContact O-N 3.32Å; I112-M115 PolarHBondContact O-N 3.48Å; K113-M115 VanDerWaalsContact C-N 3.31Å; K113-M115 PolarHBondContact O-N 3.33Å; M115-S117 VanDerWaalsContact C-N 3.34Å; M115-S117 PolarHBondContact O-N 2.92Å; M115-T118 PolarHBondContact O-N 3.28Å; M115-K130 HydrophobicContact CE-CD 3.99Å; M115-V132 HydrophobicContact CB-CG2 4.4Å; M115-V132 HydrophobicContact CG-CG2 4.34Å |
| 116 | A | 81.6 | Confident | 74.5 | Confident | 15 Ų | 15 | 66.6 Ų | 66.6 | 12% | 0.124 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.1 | -30.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I112 K113 Y155 | I112-A116 VanDerWaalsContact O-CB 3.22Å; I112-A116 WeakPolarHBondContact O-CB 3.45Å; I112-A116 PolarHBondContact O-N 3.12Å; K113-A116 PolarHBondContact O-N 3.33Å; A116-Y155 HydrophobicContact CB-CD1 3.63Å; A116-Y155 HydrophobicContact CB-CD2 4.25Å; A116-Y155 HydrophobicContact CB-CE1 4.07Å; A116-Y155 HydrophobicContact CB-CG 3.75Å |
| 117 | S | 79.6 | Confident | 73.9 | Confident | 92 Ų | 92 | 66.4 Ų | 66.4 | 64% | 0.643 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -76.1 | -23.2 | 175.7 | 52.7 | 0 | 0 | 0 | 0 | 113.4 | K113 S114 M115 A119 | K113-S117 PolarHBondContact O-N 2.91Å; K113-S117 PolarHBondContact O-OG 3.44Å; S114-S117 WeakPolarHBondContact CA-OG 3.21Å; S114-S117 PolarHBondContact O-OG 2.93Å; M115-S117 VanDerWaalsContact C-N 3.34Å; M115-S117 PolarHBondContact O-N 2.92Å; S117-A119 PolarHBondContact O-N 3.42Å; S117-A119 VanDerWaalsContact O-N 3.16Å |
| 118 | T | 74.8 | Confident | 73.6 | Confident | 76 Ų | 76 | 72.6 Ų | 72.6 | 47% | 0.466 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -84.1 | 92.8 | -179.2 | -51 | 0 | 0 | 0 | 0 | 109.4 | S114 M115 K130 | S114-T118 PolarHBondContact O-N 3.14Å; S114-T118 PolarHBondContact O-OG1 3.44Å; M115-T118 PolarHBondContact O-N 3.28Å; T118-K130 VanDerWaalsContact CB-NZ 3.35Å; T118-K130 VanDerWaalsContact O-CE 3.27Å; T118-K130 WeakPolarHBondContact O-CE 3.33Å; T118-K130 PolarHBondContact O-NZ 3.01Å |
| 119 | A | 63.9 | Low | 73.5 | Confident | 81 Ų | 81 | 73.1 Ų | 73.1 | 67% | 0.669 | 42% | 0.42 | S | S | * | . | trans | -61.2 | 148.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S117 | S117-A119 PolarHBondContact O-N 3.42Å; S117-A119 VanDerWaalsContact O-N 3.16Å | ||
| 120 | Q | 63.7 | Low | 73.6 | Confident | 41 Ų | 41 | 72.2 Ų | 72.2 | 19% | 0.192 | 42% | 0.416 | C | S | . | . | trans | -78.3 | 127.3 | 167.4 | -71.5 | -172.4 | -14.6 | 0 | 0 | 108.7 | K127 K130 | Q120-K127 PolarHBondContact OE1-O 3.08Å; Q120-K127 VanDerWaalsContact OE1-O 3.08Å; Q120-K130 HydrophobicContact CG-CG 4.08Å | ||
| 121 | L | 58.4 | Low | 74 | Confident | 174 Ų | 174 | 67.8 Ų | 67.8 | 91% | 0.911 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -73.3 | -29.6 | -177.7 | -69 | 163.8 | 0 | 0 | 0 | 112.3 | ||
| 122 | D | 56.3 | Low | 74.3 | Confident | 119 Ų | 119 | 67.7 Ų | 67.7 | 64% | 0.636 | 40% | 0.395 | S | S | * | . | trans | -101.1 | 89 | -174.4 | -91.2 | -24 | 0 | 0 | 0 | 112.1 | G124 | D122-G124 VanDerWaalsContact C-N 3.3Å; D122-G124 PolarHBondContact O-N 2.91Å | ||
| 123 | S | 57.5 | Low | 74.7 | Confident | 92 Ų | 92 | 67.6 Ų | 67.6 | 64% | 0.643 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -15.2 | 177.4 | -35.3 | 0 | 0 | 0 | 0 | 113.6 | Q125 | S123-Q125 PolarHBondContact O-N 3.38Š|
| 124 | G | 57 | Low | 74.9 | Confident | 77 Ų | 77 | 63 Ų | 63 | 79% | 0.794 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -22.8 | -163.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | D122 | D122-G124 VanDerWaalsContact C-N 3.3Å; D122-G124 PolarHBondContact O-N 2.91Å |
| 125 | Q | 57.3 | Low | 75.3 | Confident | 194 Ų | 194 | 61.8 Ų | 61.8 | 91% | 0.907 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.2 | -5.9 | -175.8 | -66.4 | -173.3 | 7 | 0 | 0 | 114.6 | S123 | S123-Q125 PolarHBondContact O-N 3.38Š|
| 126 | Q | 63.7 | Low | 75.7 | Confident | 59 Ų | 59 | 64 Ų | 64 | 28% | 0.276 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -120.6 | 158.5 | -168.1 | -67.5 | 177 | 6.7 | 0 | 0 | 112 | ||
| 127 | K | 70.4 | Confident | 76.2 | Confident | 60 Ų | 60 | 63.3 Ų | 63.3 | 26% | 0.261 | 37% | 0.367 | S | S | . | . | trans | -67.5 | 137.6 | 176.1 | -64.7 | -77.8 | -173.2 | 170.9 | 0 | 109.6 | S32 Y60 Q120 F129 | S32-K127 PolarHBondContact O-NZ 3.16Å; Y60-K127 HydrophobicContact CE1-CB 4.46Å; Q120-K127 PolarHBondContact OE1-O 3.08Å; Q120-K127 VanDerWaalsContact OE1-O 3.08Å; K127-F129 HydrophobicContact CB-CD1 4.1Å; K127-F129 HydrophobicContact CB-CE1 3.74Å; K127-F129 HydrophobicContact CB-CZ 4.11Å; K127-F129 HydrophobicContact CD-CE1 4.24Å; K127-F129 HydrophobicContact CG-CE1 4.21Å; K127-F129 HydrophobicContact CG-CZ 4.39Å; K127-F129 PolarHBondContact O-N 3.16Å | ||
| 128 | D | 77.5 | Confident | 76.6 | Confident | 134 Ų | 134 | 59.5 Ų | 59.5 | 72% | 0.717 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -66.5 | 6.2 | -173.8 | -56.2 | -38.6 | 0 | 0 | 0 | 116.5 | ||
| 129 | F | 85.6 | Confident | 77.2 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 5% | 0.053 | 34% | 0.34 | C | S | . | . | trans | -127.2 | 152.1 | -175.6 | 63.4 | -96.3 | 0 | 0 | 0 | 112 | F35 L59 Y60 K127 V131 T158 R160 | F35-F129 HydrophobicContact CB-CE1 4.05Å; F35-F129 HydrophobicContact CB-CE2 4.4Å; F35-F129 HydrophobicContact CB-CZ 3.55Å; F35-F129 AromaticContact CD1-CE2 3.86Å; F35-F129 HydrophobicContact CD1-CE2 3.86Å; F35-F129 AromaticContact CD1-CZ 3.85Å; F35-F129 HydrophobicContact CD1-CZ 3.85Å; F35-F129 HydrophobicContact CG-CE2 4.42Å; F35-F129 AromaticContact CG-CZ 3.95Å; F35-F129 HydrophobicContact CG-CZ 3.95Å; L59-F129 HydrophobicContact CD2-CZ 4.37Å; Y60-F129 WeakPolarHBondContact OH-CD2 3.38Å; Y60-F129 WeakPolarHBondContact OH-CE2 3.22Å; Y60-F129 PolarHBondContact OH-O 2.93Å; K127-F129 HydrophobicContact CB-CD1 4.1Å; K127-F129 HydrophobicContact CB-CE1 3.74Å; K127-F129 HydrophobicContact CB-CZ 4.11Å; K127-F129 HydrophobicContact CD-CE1 4.24Å; K127-F129 HydrophobicContact CG-CE1 4.21Å; K127-F129 HydrophobicContact CG-CZ 4.39Å; K127-F129 PolarHBondContact O-N 3.16Å; F129-V131 HydrophobicContact CD2-CG2 4.06Å; F129-V131 HydrophobicContact CE2-CG2 3.79Å; F129-T158 WeakPolarHBondContact CA-O 3.45Å; F129-R160 HydrophobicContact CB-CG 4.13Å; F129-R160 HydrophobicContact CD1-CG 4.2Å; F129-R160 HydrophobicContact CD2-CB 3.73Å; F129-R160 HydrophobicContact CD2-CG 3.26Å; F129-R160 HydrophobicContact CE1-CG 4.48Å; F129-R160 HydrophobicContact CE2-CB 3.97Å; F129-R160 HydrophobicContact CE2-CG 3.62Å; F129-R160 HydrophobicContact CG-CB 4.5Å; F129-R160 HydrophobicContact CG-CG 3.6Å; F129-R160 HydrophobicContact CZ-CG 4.23Å | ||
| 130 | K | 87.8 | Confident | 78.5 | Confident | 21 Ų | 21 | 57.2 Ų | 57.2 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 154.4 | 169.1 | -71.2 | -179 | 173 | 175.6 | 0 | 111.1 | M115 T118 Q120 T158 C159 R160 | M115-K130 HydrophobicContact CE-CD 3.99Å; T118-K130 VanDerWaalsContact CB-NZ 3.35Å; T118-K130 VanDerWaalsContact O-CE 3.27Å; T118-K130 WeakPolarHBondContact O-CE 3.33Å; T118-K130 PolarHBondContact O-NZ 3.01Å; Q120-K130 HydrophobicContact CG-CG 4.08Å; K130-T158 PolarHBondContact N-O 2.86Å; K130-C159 CarbonylContact O-C 3.57Å; K130-C159 WeakPolarHBondContact O-CA 3.24Å; K130-R160 PolarHBondContact O-N 3.42Å |
| 131 | V | 91.5 | Very high | 79.7 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 129.3 | 176.6 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | L56 L59 Y60 F91 H92 L93 F129 V133 R160 I162 | L56-V131 HydrophobicContact CD2-CB 3.83Å; L56-V131 HydrophobicContact CD2-CG1 3.69Å; L56-V131 HydrophobicContact CD2-CG2 4.25Å; L59-V131 HydrophobicContact CD1-CG2 4.46Å; Y60-V131 HydrophobicContact CE2-CB 4.41Å; Y60-V131 HydrophobicContact CE2-CG2 3.99Å; Y60-V131 WeakPolarHBondContact OH-CG2 3.11Å; F91-V131 PolarHBondContact O-N 2.83Å; F91-V131 VanDerWaalsContact O-N 3.13Å; H92-V131 CarbonylContact C-O 3.57Å; H92-V131 WeakPolarHBondContact CA-O 3.35Å; H92-V131 HydrophobicContact CB-CB 4.24Å; H92-V131 WeakPolarHBondContact CB-O 3.37Å; L93-V131 PolarHBondContact N-O 3.23Å; F129-V131 HydrophobicContact CD2-CG2 4.06Å; F129-V131 HydrophobicContact CE2-CG2 3.79Å; V131-V133 HydrophobicContact CG1-CG2 4.14Å; V131-R160 CarbonylContact C-O 3.52Å; V131-R160 VanDerWaalsContact CA-O 3.31Å; V131-R160 WeakPolarHBondContact CA-O 3.46Å; V131-R160 HydrophobicContact CG2-CB 4.24Å; V131-I162 HydrophobicContact CG1-CB 4.46Å; V131-I162 HydrophobicContact CG1-CD1 3.73Å; V131-I162 HydrophobicContact CG1-CG1 3.77Å |
| 132 | V | 92.5 | Very high | 81.1 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 125.3 | 167.1 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | L93 L111 M115 L134 R160 L161 I162 | L93-V132 HydrophobicContact CB-CG2 4.43Å; L93-V132 CarbonylContact O-C 3.57Å; L93-V132 WeakPolarHBondContact O-CA 3.3Å; L111-V132 HydrophobicContact CD2-CG1 4.14Å; M115-V132 HydrophobicContact CB-CG2 4.4Å; M115-V132 HydrophobicContact CG-CG2 4.34Å; V132-L134 HydrophobicContact CG1-CD2 4.1Å; V132-L134 HydrophobicContact CG1-CG 4.38Å; V132-R160 PolarHBondContact N-O 3.11Å; V132-L161 HydrophobicContact CB-CD2 3.61Å; V132-L161 HydrophobicContact CG1-CD2 4.34Å; V132-L161 HydrophobicContact CG2-CD2 4.29Å; V132-L161 WeakPolarHBondContact O-CA 3.49Å; V132-I162 PolarHBondContact O-N 3.26Å |
| 133 | V | 94.7 | Very high | 82.7 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 116 | 176.3 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | I52 L56 L93 E94 V95 V131 I162 | I52-V133 HydrophobicContact CD1-CG1 4.46Å; I52-V133 HydrophobicContact CG2-CG1 3.85Å; I52-V133 HydrophobicContact CG2-CG2 3.87Å; L56-V133 HydrophobicContact CD1-CG2 3.93Å; L93-V133 PolarHBondContact O-N 3.45Å; E94-V133 WeakPolarHBondContact CA-O 3.36Å; E94-V133 HydrophobicContact CG-CB 4.21Å; V95-V133 PolarHBondContact N-O 3.35Å; V131-V133 HydrophobicContact CG1-CG2 4.14Å; V133-I162 WeakPolarHBondContact CA-O 3.49Å; V133-I162 HydrophobicContact CG2-CB 4.37Å |
| 134 | L | 93 | Very high | 84.3 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 109.1 | 172.5 | -62.7 | -179.8 | 0 | 0 | 0 | 108.3 | V95 I108 V132 L140 L148 I162 L163 S164 | V95-L134 HydrophobicContact CB-CD2 3.83Å; V95-L134 HydrophobicContact CG2-CD2 4.3Å; I108-L134 HydrophobicContact CD1-CD1 4.45Å; I108-L134 HydrophobicContact CD1-CD2 3.87Å; V132-L134 HydrophobicContact CG1-CD2 4.1Å; V132-L134 HydrophobicContact CG1-CG 4.38Å; L134-L140 HydrophobicContact CD1-CD1 4.49Å; L134-L148 HydrophobicContact CD1-CD1 3.83Å; L134-L148 HydrophobicContact CD1-CD2 3.92Å; L134-I162 PolarHBondContact N-O 2.91Å; L134-L163 HydrophobicContact CB-CD2 3.77Å; L134-L163 HydrophobicContact CD1-CD2 3.64Å; L134-L163 HydrophobicContact CG-CD2 4.01Å; L134-S164 PolarHBondContact O-N 3.36Å |
| 135 | H | 92.4 | Very high | 86 | Confident | 22 Ų | 22 | 50 Ų | 50 | 10% | 0.102 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -73.1 | 160.2 | 169.6 | -69 | -59 | 0 | 0 | 0 | 110.5 | R49 E94 V95 P97 A137 | R49-H135 PolarHBondContact NH1-CD2 3.17Å; R49-H135 PolarHBondContact NH1-NE2 3.43Å; E94-H135 IonicContact OE1-NE2 3Å; E94-H135 IonicContact OE2-NE2 3.75Å; V95-H135 PolarHBondContact O-N 3.49Å; P97-H135 WeakPolarHBondContact CD-O 3.29Å; P97-H135 WeakPolarHBondContact CG-O 3.36Å; H135-A137 PolarHBondContact O-N 3.49Å |
| 136 | E | 90.5 | Very high | 87.6 | Confident | 73 Ų | 73 | 44.3 Ų | 44.3 | 34% | 0.341 | 21% | 0.209 | S | C | . | . | S | Bend | trans | 42 | 44 | 174.7 | -60.1 | 174.7 | 177.8 | 0 | 0 | 115 | N96 P97 S98 D138 H139 S164 | N96-E136 PolarHBondContact ND2-OE2 2.9Å; N96-E136 VanDerWaalsContact ND2-OE2 3.12Å; N96-E136 PolarHBondContact OD1-OE2 3.33Å; P97-E136 VanDerWaalsContact CG-O 3.31Å; P97-E136 WeakPolarHBondContact CG-O 3.27Å; S98-E136 PolarHBondContact OG-OE2 2.93Å; E136-D138 VanDerWaalsContact C-OD1 3.31Å; E136-D138 PolarHBondContact O-N 2.95Å; E136-H139 PolarHBondContact O-N 2.86Å; E136-H139 IonicContact OE2-CD2 2.97Å; E136-S164 CarbonylContact C-O 3.56Å; E136-S164 WeakPolarHBondContact CA-O 3.39Å; E136-S164 PolarHBondContact N-O 2.9Å |
| 137 | A | 91.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -62.6 | -13 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | H135 H139 L140 L163 S164 I171 | H135-A137 PolarHBondContact O-N 3.49Å; A137-H139 VanDerWaalsContact C-N 3.3Å; A137-L140 HydrophobicContact CB-CD1 4.38Å; A137-L140 WeakPolarHBondContact O-CB 3.41Å; A137-L140 PolarHBondContact O-N 2.82Å; A137-L163 HydrophobicContact CB-CB 4.15Å; A137-S164 PolarHBondContact N-O 2.76Å; A137-I171 HydrophobicContact CB-CD1 4.19Å; A137-I171 WeakPolarHBondContact O-CD1 3.43Å |
| 138 | D | 88.6 | Confident | 89.8 | Confident | 12 Ų | 12 | 38.8 Ų | 38.8 | 6% | 0.064 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -76.2 | -12.9 | 173.1 | 57.4 | -50.8 | 0 | 0 | 0 | 114.3 | E136 A165 K170 I171 | E136-D138 VanDerWaalsContact C-OD1 3.31Å; E136-D138 PolarHBondContact O-N 2.95Å; D138-A165 HydrophobicContact CB-CB 4.23Å; D138-K170 HydrophobicContact CB-CB 3.92Å; D138-K170 HydrophobicContact CB-CD 3.94Å; D138-I171 HydrophobicContact CB-CD1 4.5Å |
| 139 | H | 88.7 | Confident | 90.4 | Very high | 102 Ų | 102 | 36.6 Ų | 36.6 | 47% | 0.472 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -86.2 | -8.4 | 169.8 | -67.5 | -48 | 0 | 0 | 0 | 113.6 | S98 E136 A137 | S98-H139 PolarHBondContact OG-CD2 2.77Å; E136-H139 PolarHBondContact O-N 2.86Å; E136-H139 IonicContact OE2-CD2 2.97Å; A137-H139 VanDerWaalsContact C-N 3.3Å |
| 140 | L | 89.5 | Confident | 90.6 | Very high | 8 Ų | 8 | 41.9 Ų | 41.9 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -67.2 | 136.7 | 173.4 | -73 | 169.8 | 0 | 0 | 0 | 111.8 | P97 D104 I108 L134 A137 A144 Q145 L148 | P97-L140 HydrophobicContact CB-CD2 3.37Å; P97-L140 HydrophobicContact CB-CG 3.71Å; P97-L140 HydrophobicContact CG-CD2 4.26Å; P97-L140 HydrophobicContact CG-CG 4.06Å; D104-L140 HydrophobicContact CB-CD2 4.01Å; I108-L140 HydrophobicContact CD1-CD2 4.49Å; I108-L140 HydrophobicContact CG1-CD2 4.1Å; L134-L140 HydrophobicContact CD1-CD1 4.49Å; A137-L140 HydrophobicContact CB-CD1 4.38Å; A137-L140 WeakPolarHBondContact O-CB 3.41Å; A137-L140 PolarHBondContact O-N 2.82Å; L140-A144 HydrophobicContact CB-CB 4.48Å; L140-A144 HydrophobicContact CD2-CB 4.11Å; L140-Q145 HydrophobicContact CB-CG 3.81Å; L140-Q145 PolarHBondContact O-NE2 2.93Å; L140-L148 HydrophobicContact CD1-CD2 4.38Å |
| 141 | T | 89.5 | Confident | 90.7 | Very high | 53 Ų | 53 | 41.3 Ų | 41.3 | 33% | 0.325 | 18% | 0.184 | S | C | . | . | trans | -60.8 | 153.3 | 172.2 | 66.3 | 0 | 0 | 0 | 0 | 111.1 | D104 D143 A144 Q145 | D104-T141 VanDerWaalsContact CG-OG1 3.29Å; D104-T141 PolarHBondContact OD1-OG1 3.08Å; D104-T141 WeakPolarHBondContact OD2-CB 3.32Å; D104-T141 VanDerWaalsContact OD2-CG2 3.3Å; D104-T141 WeakPolarHBondContact OD2-CG2 3.14Å; D104-T141 PolarHBondContact OD2-N 2.89Å; D104-T141 PolarHBondContact OD2-OG1 3.26Å; T141-D143 PolarHBondContact O-N 3.06Å; T141-A144 PolarHBondContact O-N 3.15Å; T141-A144 VanDerWaalsContact O-N 3.11Å; T141-A144 VanDerWaalsContact OG1-CB 3.29Å; T141-A144 WeakPolarHBondContact OG1-CB 3.28Å; T141-A144 PolarHBondContact OG1-N 3.35Å; T141-A144 VanDerWaalsContact OG1-N 3.16Å; T141-Q145 WeakPolarHBondContact O-CG 3.49Å; T141-Q145 PolarHBondContact O-N 2.97Å | ||
| 142 | R | 88.6 | Confident | 90.6 | Very high | 196 Ų | 196 | 41.6 Ų | 41.6 | 74% | 0.74 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -56 | -39.8 | 177.4 | -71.5 | -176 | 175.4 | 176.4 | -0.2 | 111.7 | Q145 H146 I172 | R142-Q145 PolarHBondContact O-N 3.34Å; R142-H146 PolarHBondContact O-CD2 3.01Å; R142-H146 PolarHBondContact O-N 3.05Å; R142-I172 HydrophobicContact CG-CG2 4.49Å |
| 143 | D | 90.2 | Very high | 90.4 | Very high | 96 Ų | 96 | 46 Ų | 46 | 51% | 0.513 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.2 | -40.8 | 177.9 | -79 | 3.2 | 0 | 0 | 0 | 112.6 | T141 H146 A147 | T141-D143 PolarHBondContact O-N 3.06Å; D143-H146 PolarHBondContact O-N 3.44Å; D143-A147 WeakPolarHBondContact O-CB 3.46Å; D143-A147 PolarHBondContact O-N 3.48Å |
| 144 | A | 89.7 | Confident | 90.2 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.1 | -38.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | D104 R105 L140 T141 H146 A147 L148 | D104-A144 HydrophobicContact CB-CB 4.11Å; D104-A144 WeakPolarHBondContact OD1-CB 3.21Å; D104-A144 WeakPolarHBondContact OD2-CB 3.39Å; R105-A144 HydrophobicContact CB-CB 4.14Å; L140-A144 HydrophobicContact CB-CB 4.48Å; L140-A144 HydrophobicContact CD2-CB 4.11Å; T141-A144 PolarHBondContact O-N 3.15Å; T141-A144 VanDerWaalsContact O-N 3.11Å; T141-A144 VanDerWaalsContact OG1-CB 3.29Å; T141-A144 WeakPolarHBondContact OG1-CB 3.28Å; T141-A144 PolarHBondContact OG1-N 3.35Å; T141-A144 VanDerWaalsContact OG1-N 3.16Å; A144-H146 PolarHBondContact O-N 3.38Å; A144-A147 WeakPolarHBondContact O-CB 3.42Å; A144-A147 PolarHBondContact O-N 3.33Å; A144-L148 WeakPolarHBondContact O-CB 3.29Å; A144-L148 PolarHBondContact O-N 2.98Å |
| 145 | Q | 92.2 | Very high | 90 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.019 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.3 | -38.2 | 174.1 | -65.1 | -176.1 | 41.5 | 0 | 0 | 112.2 | L140 T141 R142 A147 L148 R149 K170 I172 T175 | L140-Q145 HydrophobicContact CB-CG 3.81Å; L140-Q145 PolarHBondContact O-NE2 2.93Å; T141-Q145 WeakPolarHBondContact O-CG 3.49Å; T141-Q145 PolarHBondContact O-N 2.97Å; R142-Q145 PolarHBondContact O-N 3.34Å; Q145-A147 VanDerWaalsContact C-N 3.34Å; Q145-L148 WeakPolarHBondContact O-CB 3.36Å; Q145-L148 PolarHBondContact O-N 3.2Å; Q145-R149 PolarHBondContact O-N 3.49Å; Q145-K170 PolarHBondContact NE2-O 3.4Å; Q145-I172 HydrophobicContact CB-CD1 3.81Å; Q145-I172 HydrophobicContact CB-CG1 3.97Å; Q145-I172 HydrophobicContact CB-CG2 4.44Å; Q145-T175 HydrophobicContact CB-CG2 4.36Å; Q145-T175 VanDerWaalsContact O-CG2 3.32Å; Q145-T175 WeakPolarHBondContact O-CG2 3.49Å |
| 146 | H | 90.7 | Very high | 89.8 | Confident | 76 Ų | 76 | 57.2 Ų | 57.2 | 35% | 0.352 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 172.8 | -80.3 | -66.8 | 0 | 0 | 0 | 112.4 | R142 D143 A144 R150 | R142-H146 PolarHBondContact O-CD2 3.01Å; R142-H146 PolarHBondContact O-N 3.05Å; D143-H146 PolarHBondContact O-N 3.44Å; A144-H146 PolarHBondContact O-N 3.38Å; H146-R150 PolarHBondContact O-N 3.12Å |
| 147 | A | 89.6 | Confident | 89.5 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.7 | -46 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R105 Q109 D143 A144 Q145 R149 R150 T151 | R105-A147 HydrophobicContact CG-CB 3.99Å; Q109-A147 HydrophobicContact CG-CB 3.81Å; D143-A147 WeakPolarHBondContact O-CB 3.46Å; D143-A147 PolarHBondContact O-N 3.48Å; A144-A147 WeakPolarHBondContact O-CB 3.42Å; A144-A147 PolarHBondContact O-N 3.33Å; Q145-A147 VanDerWaalsContact C-N 3.34Å; A147-R149 VanDerWaalsContact C-N 3.3Å; A147-R149 PolarHBondContact O-N 2.9Å; A147-R150 PolarHBondContact O-N 3.36Å; A147-R150 VanDerWaalsContact O-N 3.09Å; A147-T151 PolarHBondContact O-N 3.13Å; A147-T151 PolarHBondContact O-OG1 2.73Å |
| 148 | L | 90.9 | Very high | 89.3 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.5 | -44.4 | 177.1 | -174.2 | 65.2 | 0 | 0 | 0 | 111.2 | I108 I112 L134 L140 A144 Q145 R150 T151 M152 L161 L163 | I108-L148 HydrophobicContact CG2-CD1 3.82Å; I112-L148 HydrophobicContact CD1-CD1 3.43Å; I112-L148 VanDerWaalsContact CD1-CD1 3.43Å; L134-L148 HydrophobicContact CD1-CD1 3.83Å; L134-L148 HydrophobicContact CD1-CD2 3.92Å; L140-L148 HydrophobicContact CD1-CD2 4.38Å; A144-L148 WeakPolarHBondContact O-CB 3.29Å; A144-L148 PolarHBondContact O-N 2.98Å; Q145-L148 WeakPolarHBondContact O-CB 3.36Å; Q145-L148 PolarHBondContact O-N 3.2Å; L148-R150 VanDerWaalsContact C-N 3.34Å; L148-R150 PolarHBondContact O-N 3.26Å; L148-T151 VanDerWaalsContact CA-OG1 3.29Å; L148-T151 WeakPolarHBondContact CA-OG1 3.41Å; L148-T151 PolarHBondContact O-N 3.09Å; L148-T151 PolarHBondContact O-OG1 3.02Å; L148-M152 HydrophobicContact CG-SD 4.2Å; L148-M152 WeakPolarHBondContact O-CG 3.28Å; L148-M152 PolarHBondContact O-N 3.04Å; L148-L161 HydrophobicContact CD1-CD1 3.57Å; L148-L161 HydrophobicContact CG-CD1 4.16Å; L148-L163 HydrophobicContact CD2-CD1 4.09Å; L148-L163 HydrophobicContact CD2-CD2 4.01Å |
| 149 | R | 90.7 | Very high | 89.3 | Confident | 88 Ų | 88 | 59.9 Ų | 59.9 | 33% | 0.332 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -54.5 | -47.3 | 174.6 | 178.7 | -143.5 | 164.2 | 155.5 | -8.4 | 112 | Q145 A147 M152 E153 A174 T175 | Q145-R149 PolarHBondContact O-N 3.49Å; A147-R149 VanDerWaalsContact C-N 3.3Å; A147-R149 PolarHBondContact O-N 2.9Å; R149-M152 PolarHBondContact O-N 3.02Å; R149-E153 IonicContact CZ-OE1 2.69Å; R149-E153 IonicContact NE-OE1 3.21Å; R149-E153 PolarHBondContact NE-OE1 3.4Å; R149-E153 IonicContact NH2-OE1 2.62Å; R149-E153 PolarHBondContact O-N 3.32Å; R149-A174 HydrophobicContact CG-CB 4.14Å; R149-T175 HydrophobicContact CB-CG2 4.1Å |
| 150 | R | 89.6 | Confident | 89.5 | Confident | 123 Ų | 123 | 56.5 Ų | 56.5 | 46% | 0.464 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 179.2 | -67.8 | -169.9 | -63.1 | -97 | -3.3 | 111.9 | H146 A147 L148 E153 K154 | H146-R150 PolarHBondContact O-N 3.12Å; A147-R150 PolarHBondContact O-N 3.36Å; A147-R150 VanDerWaalsContact O-N 3.09Å; L148-R150 VanDerWaalsContact C-N 3.34Å; L148-R150 PolarHBondContact O-N 3.26Å; R150-E153 PolarHBondContact O-N 3.45Å; R150-K154 PolarHBondContact O-N 3.44Å; R150-K154 VanDerWaalsContact O-N 3.1Å |
| 151 | T | 89.3 | Confident | 89.7 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.7 | -34.9 | 178.1 | 49.3 | 0 | 0 | 0 | 0 | 112.4 | Q109 A147 L148 K154 Y155 | Q109-T151 HydrophobicContact CG-CG2 4.12Å; A147-T151 PolarHBondContact O-N 3.13Å; A147-T151 PolarHBondContact O-OG1 2.73Å; L148-T151 VanDerWaalsContact CA-OG1 3.29Å; L148-T151 WeakPolarHBondContact CA-OG1 3.41Å; L148-T151 PolarHBondContact O-N 3.09Å; L148-T151 PolarHBondContact O-OG1 3.02Å; T151-K154 PolarHBondContact O-N 3.27Å; T151-Y155 WeakPolarHBondContact O-CD2 3.32Å; T151-Y155 PolarHBondContact O-N 3.38Å |
| 152 | M | 90.5 | Very high | 90 | Very high | 6 Ų | 6 | 53.7 Ų | 53.7 | 3% | 0.03 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 173.6 | -71.7 | 169.5 | 79.3 | 0 | 0 | 111.8 | H37 L148 R149 I156 L161 R178 C179 | H37-M152 HydrophobicContact CB-CE 3.68Å; H37-M152 VanDerWaalsContact CD2-CE 3.49Å; H37-M152 WeakPolarHBondContact CD2-CE 3.49Å; H37-M152 VanDerWaalsContact CG-CE 3.44Å; L148-M152 HydrophobicContact CG-SD 4.2Å; L148-M152 WeakPolarHBondContact O-CG 3.28Å; L148-M152 PolarHBondContact O-N 3.04Å; R149-M152 PolarHBondContact O-N 3.02Å; M152-I156 WeakPolarHBondContact O-CB 3.49Å; M152-I156 PolarHBondContact O-N 2.78Å; M152-L161 HydrophobicContact CE-CD1 4.39Å; M152-L161 HydrophobicContact CG-CD1 3.28Å; M152-L161 HydrophobicContact CG-CG 4.17Å; M152-L161 HydrophobicContact SD-CD1 3.89Å; M152-R178 HydrophobicContact CE-CB 3.7Å; M152-C179 WeakPolarHBondContact CE-SG 3.4Å |
| 153 | E | 88.6 | Confident | 90.3 | Very high | 92 Ų | 92 | 44.5 Ų | 44.5 | 43% | 0.43 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.7 | -44.9 | 177.5 | -70.3 | 167.2 | -160 | 0 | 0 | 111.9 | R149 R150 R178 | R149-E153 IonicContact CZ-OE1 2.69Å; R149-E153 IonicContact NE-OE1 3.21Å; R149-E153 PolarHBondContact NE-OE1 3.4Å; R149-E153 IonicContact NH2-OE1 2.62Å; R149-E153 PolarHBondContact O-N 3.32Å; R150-E153 PolarHBondContact O-N 3.45Å; E153-R178 IonicContact OE1-CZ 3.4Å; E153-R178 IonicContact OE1-NE 3.98Å; E153-R178 PolarHBondContact OE1-NE 3.37Å; E153-R178 IonicContact OE1-NH2 3.61Å; E153-R178 PolarHBondContact OE1-NH2 3.38Å |
| 154 | K | 89.9 | Confident | 90.5 | Very high | 145 Ų | 145 | 40.4 Ų | 40.4 | 63% | 0.63 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -69.4 | -37.5 | -175.6 | -174.4 | 175.2 | 179 | -175 | 0 | 113.1 | R150 T151 | R150-K154 PolarHBondContact O-N 3.44Å; R150-K154 VanDerWaalsContact O-N 3.1Å; T151-K154 PolarHBondContact O-N 3.27Å |
| 155 | Y | 88.8 | Confident | 90.7 | Very high | 45 Ų | 45 | 40.4 Ų | 40.4 | 18% | 0.176 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 23 | -171 | -58.5 | -62.4 | 0 | 0 | 0 | 113.8 | I112 K113 A116 T151 S157 T158 C159 | I112-Y155 HydrophobicContact CG2-CD2 4.09Å; K113-Y155 HydrophobicContact CG-CE2 3.95Å; A116-Y155 HydrophobicContact CB-CD1 3.63Å; A116-Y155 HydrophobicContact CB-CD2 4.25Å; A116-Y155 HydrophobicContact CB-CE1 4.07Å; A116-Y155 HydrophobicContact CB-CG 3.75Å; T151-Y155 WeakPolarHBondContact O-CD2 3.32Å; T151-Y155 PolarHBondContact O-N 3.38Å; Y155-S157 PolarHBondContact O-N 2.99Å; Y155-T158 PolarHBondContact O-N 2.98Å; Y155-T158 PolarHBondContact O-OG1 3.15Å; Y155-C159 PolarHBondContact O-N 3.07Å; Y155-C159 VanDerWaalsContact O-O 3.14Å |
| 156 | I | 88 | Confident | 90.7 | Very high | 68 Ų | 68 | 44.8 Ų | 44.8 | 35% | 0.349 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -32.7 | 179.2 | -177.5 | 64.3 | 0 | 0 | 0 | 113.6 | H37 M152 R160 | H37-I156 WeakPolarHBondContact NE2-CD1 3.34Å; M152-I156 WeakPolarHBondContact O-CB 3.49Å; M152-I156 PolarHBondContact O-N 2.78Å; I156-R160 PolarHBondContact O-NE 3.49Å |
| 157 | S | 84.7 | Confident | 90.5 | Very high | 86 Ų | 86 | 43.5 Ų | 43.5 | 60% | 0.601 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -36 | -178.6 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | Y155 | Y155-S157 PolarHBondContact O-N 2.99Š|
| 158 | T | 86.9 | Confident | 90.5 | Very high | 53 Ų | 53 | 45.3 Ų | 45.3 | 33% | 0.325 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -27.5 | -174.4 | 58.9 | 0 | 0 | 0 | 0 | 113.2 | F129 K130 Y155 | F129-T158 WeakPolarHBondContact CA-O 3.45Å; K130-T158 PolarHBondContact N-O 2.86Å; Y155-T158 PolarHBondContact O-N 2.98Å; Y155-T158 PolarHBondContact O-OG1 3.15Å |
| 159 | C | 88.8 | Confident | 90.5 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 126.1 | -172.9 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | H37 K130 Y155 | H37-C159 PolarHBondContact CE1-O 3.24Å; K130-C159 CarbonylContact O-C 3.57Å; K130-C159 WeakPolarHBondContact O-CA 3.24Å; Y155-C159 PolarHBondContact O-N 3.07Å; Y155-C159 VanDerWaalsContact O-O 3.14Å |
| 160 | R | 92.2 | Very high | 90.3 | Very high | 30 Ų | 30 | 51.8 Ų | 51.8 | 11% | 0.113 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 153.7 | 167.6 | -58.1 | -62.7 | 173.4 | 126.4 | 0.7 | 109.3 | N34 F35 F129 K130 V131 V132 I156 | N34-R160 PolarHBondContact OD1-NH1 2.94Å; N34-R160 PolarHBondContact OD1-NH2 3.41Å; F35-R160 HydrophobicContact CD1-CB 4.2Å; F35-R160 HydrophobicContact CD1-CG 4.29Å; F35-R160 HydrophobicContact CE1-CB 4.49Å; F35-R160 VanDerWaalsContact O-CD 3.27Å; F35-R160 WeakPolarHBondContact O-CD 3.33Å; F35-R160 VanDerWaalsContact O-CZ 3.26Å; F35-R160 PolarHBondContact O-NE 3.44Å; F35-R160 PolarHBondContact O-NH1 3.4Å; F129-R160 HydrophobicContact CB-CG 4.13Å; F129-R160 HydrophobicContact CD1-CG 4.2Å; F129-R160 HydrophobicContact CD2-CB 3.73Å; F129-R160 HydrophobicContact CD2-CG 3.26Å; F129-R160 HydrophobicContact CE1-CG 4.48Å; F129-R160 HydrophobicContact CE2-CB 3.97Å; F129-R160 HydrophobicContact CE2-CG 3.62Å; F129-R160 HydrophobicContact CG-CB 4.5Å; F129-R160 HydrophobicContact CG-CG 3.6Å; F129-R160 HydrophobicContact CZ-CG 4.23Å; K130-R160 PolarHBondContact O-N 3.42Å; V131-R160 CarbonylContact C-O 3.52Å; V131-R160 VanDerWaalsContact CA-O 3.31Å; V131-R160 WeakPolarHBondContact CA-O 3.46Å; V131-R160 HydrophobicContact CG2-CB 4.24Å; V132-R160 PolarHBondContact N-O 3.11Å; I156-R160 PolarHBondContact O-NE 3.49Å |
| 161 | L | 93.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 139 | -174.6 | -61 | -170.9 | 0 | 0 | 0 | 109.5 | H37 L38 I112 V132 L148 M152 L163 | H37-L161 CarbonylContact C-O 3.57Å; H37-L161 VanDerWaalsContact CA-O 3.27Å; H37-L161 WeakPolarHBondContact CA-O 3.37Å; H37-L161 WeakPolarHBondContact ND1-CB 3.38Å; H37-L161 PolarHBondContact ND1-N 3.42Å; L38-L161 PolarHBondContact N-O 2.6Å; I112-L161 HydrophobicContact CD1-CD1 4.49Å; I112-L161 HydrophobicContact CD1-CD2 4.49Å; V132-L161 HydrophobicContact CB-CD2 3.61Å; V132-L161 HydrophobicContact CG1-CD2 4.34Å; V132-L161 HydrophobicContact CG2-CD2 4.29Å; V132-L161 WeakPolarHBondContact O-CA 3.49Å; L148-L161 HydrophobicContact CD1-CD1 3.57Å; L148-L161 HydrophobicContact CG-CD1 4.16Å; M152-L161 HydrophobicContact CE-CD1 4.39Å; M152-L161 HydrophobicContact CG-CD1 3.28Å; M152-L161 HydrophobicContact CG-CG 4.17Å; M152-L161 HydrophobicContact SD-CD1 3.89Å; L161-L163 HydrophobicContact CB-CD2 4.42Å |
| 162 | I | 95.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 112.1 | 169.5 | -58.3 | -179.9 | 0 | 0 | 0 | 107.6 | F35 L38 V40 I52 I55 L56 V131 V132 V133 L134 | F35-I162 HydrophobicContact CE1-CD1 4.43Å; F35-I162 HydrophobicContact CZ-CD1 4.19Å; L38-I162 HydrophobicContact CB-CG1 4.19Å; L38-I162 HydrophobicContact CB-CG2 4.23Å; L38-I162 HydrophobicContact CD1-CD1 4.31Å; L38-I162 HydrophobicContact CD1-CG1 4.35Å; L38-I162 HydrophobicContact CG-CG1 4.39Å; L38-I162 CarbonylContact O-C 2.91Å; L38-I162 WeakPolarHBondContact O-CA 3.39Å; V40-I162 HydrophobicContact CG2-CG2 4.19Å; I52-I162 HydrophobicContact CB-CG2 4.43Å; I52-I162 HydrophobicContact CD1-CG2 3.82Å; I52-I162 HydrophobicContact CG1-CG2 3.74Å; I52-I162 HydrophobicContact CG2-CD1 4.25Å; I52-I162 HydrophobicContact CG2-CG2 3.89Å; I55-I162 HydrophobicContact CG2-CD1 4.25Å; L56-I162 HydrophobicContact CD2-CD1 4.42Å; V131-I162 HydrophobicContact CG1-CB 4.46Å; V131-I162 HydrophobicContact CG1-CD1 3.73Å; V131-I162 HydrophobicContact CG1-CG1 3.77Å; V132-I162 PolarHBondContact O-N 3.26Å; V133-I162 WeakPolarHBondContact CA-O 3.49Å; V133-I162 HydrophobicContact CG2-CB 4.37Å; L134-I162 PolarHBondContact N-O 2.91Å |
| 163 | L | 95.2 | Very high | 90.6 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 130.2 | 179.2 | -50.9 | -175.6 | 0 | 0 | 0 | 109.1 | L38 L39 V40 L134 A137 L148 L161 | L38-L163 PolarHBondContact O-N 3.48Å; L39-L163 CarbonylContact C-O 3.58Å; L39-L163 WeakPolarHBondContact CA-O 3.43Å; L39-L163 HydrophobicContact CD1-CB 3.78Å; V40-L163 PolarHBondContact N-O 3.47Å; L134-L163 HydrophobicContact CB-CD2 3.77Å; L134-L163 HydrophobicContact CD1-CD2 3.64Å; L134-L163 HydrophobicContact CG-CD2 4.01Å; A137-L163 HydrophobicContact CB-CB 4.15Å; L148-L163 HydrophobicContact CD2-CD1 4.09Å; L148-L163 HydrophobicContact CD2-CD2 4.01Å; L161-L163 HydrophobicContact CB-CD2 4.42Å |
| 164 | S | 94.7 | Very high | 90.7 | Very high | 10 Ų | 10 | 47 Ų | 47 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.2 | 171.4 | 168.3 | 0 | 0 | 0 | 0 | 109.6 | V40 L134 E136 A137 | V40-S164 VanDerWaalsContact O-CA 3.29Å; V40-S164 WeakPolarHBondContact O-CA 3.32Å; L134-S164 PolarHBondContact O-N 3.36Å; E136-S164 CarbonylContact C-O 3.56Å; E136-S164 WeakPolarHBondContact CA-O 3.39Å; E136-S164 PolarHBondContact N-O 2.9Å; A137-S164 PolarHBondContact N-O 2.76Å |
| 165 | A | 93.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 157.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L39 V40 Y41 G42 K48 D138 I171 | L39-A165 HydrophobicContact CD1-CB 4.36Å; V40-A165 PolarHBondContact O-N 3.44Å; Y41-A165 VanDerWaalsContact CA-O 3.28Å; Y41-A165 WeakPolarHBondContact CA-O 3.08Å; G42-A165 PolarHBondContact N-O 2.76Å; K48-A165 PolarHBondContact NZ-O 3.09Å; D138-A165 HydrophobicContact CB-CB 4.23Å; A165-I171 HydrophobicContact CB-CD1 4.39Å; A165-I171 HydrophobicContact CB-CG1 4.29Å |
| 166 | E | 91.7 | Very high | 90.9 | Very high | 97 Ų | 97 | 43.7 Ų | 43.7 | 45% | 0.453 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -80.7 | -43.8 | 169.5 | -56.8 | -150.2 | 140.2 | 0 | 0 | 111.9 | G42 S44 | G42-E166 CarbonylContact C-O 3.52Å; G42-E166 PolarHBondContact N-O 2.91Å; G42-E166 WeakPolarHBondContact O-CA 3.41Å; S44-E166 WeakPolarHBondContact CB-OE1 3.43Å |
| 167 | S | 88.2 | Confident | 91.1 | Very high | 49 Ų | 49 | 45.3 Ų | 45.3 | 34% | 0.343 | 26% | 0.262 | S | S | . | . | trans | -128.3 | 142.6 | -179.5 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | S169 | S167-S169 VanDerWaalsContact C-N 3.28Å; S167-S169 PolarHBondContact OG-N 3.38Å; S167-S169 PolarHBondContact OG-OG 2.57Å | ||
| 168 | T | 89.5 | Confident | 91.4 | Very high | 37 Ų | 37 | 44.8 Ų | 44.8 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -77.5 | -15.3 | 175.1 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | Y41 K170 I171 | Y41-T168 HydrophobicContact CD1-CG2 3.65Å; Y41-T168 HydrophobicContact CD2-CG2 3.39Å; Y41-T168 HydrophobicContact CE1-CG2 3.86Å; Y41-T168 HydrophobicContact CE2-CG2 3.58Å; Y41-T168 HydrophobicContact CG-CG2 3.38Å; T168-K170 VanDerWaalsContact C-N 3.33Å; T168-K170 PolarHBondContact O-N 2.85Å; T168-I171 PolarHBondContact O-N 3.05Å |
| 169 | S | 89.3 | Confident | 91.7 | Very high | 106 Ų | 106 | 42.7 Ų | 42.7 | 74% | 0.741 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -31.6 | -174.8 | -53.4 | 0 | 0 | 0 | 0 | 113.1 | S167 I171 | S167-S169 VanDerWaalsContact C-N 3.28Å; S167-S169 PolarHBondContact OG-N 3.38Å; S167-S169 PolarHBondContact OG-OG 2.57Å; S169-I171 VanDerWaalsContact C-N 3.32Å |
| 170 | K | 87.1 | Confident | 92 | Very high | 121 Ų | 121 | 46 Ų | 46 | 53% | 0.526 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -13.4 | 178.3 | -69.2 | -180 | 176.3 | 178.3 | 0 | 113.2 | D138 Q145 T168 | D138-K170 HydrophobicContact CB-CB 3.92Å; D138-K170 HydrophobicContact CB-CD 3.94Å; Q145-K170 PolarHBondContact NE2-O 3.4Å; T168-K170 VanDerWaalsContact C-N 3.33Å; T168-K170 PolarHBondContact O-N 2.85Å |
| 171 | I | 92.4 | Very high | 92.1 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 5% | 0.051 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -88.5 | 127.2 | -179.2 | -58.2 | -61.2 | 0 | 0 | 0 | 109.7 | L39 A137 D138 A165 T168 S169 T175 R176 | L39-I171 HydrophobicContact CD2-CG2 4.42Å; A137-I171 HydrophobicContact CB-CD1 4.19Å; A137-I171 WeakPolarHBondContact O-CD1 3.43Å; D138-I171 HydrophobicContact CB-CD1 4.5Å; A165-I171 HydrophobicContact CB-CD1 4.39Å; A165-I171 HydrophobicContact CB-CG1 4.29Å; T168-I171 PolarHBondContact O-N 3.05Å; S169-I171 VanDerWaalsContact C-N 3.32Å; I171-T175 WeakPolarHBondContact CG2-OG1 3.42Å; I171-R176 HydrophobicContact CG2-CB 4.48Å |
| 172 | I | 93.2 | Very high | 92.1 | Very high | 24 Ų | 24 | 48.4 Ų | 48.4 | 12% | 0.123 | 27% | 0.269 | C | S | . | . | trans | -62.2 | 148.3 | 179.6 | 65.4 | 174.3 | 0 | 0 | 0 | 111.7 | R142 Q145 A174 T175 R176 | R142-I172 HydrophobicContact CG-CG2 4.49Å; Q145-I172 HydrophobicContact CB-CD1 3.81Å; Q145-I172 HydrophobicContact CB-CG1 3.97Å; Q145-I172 HydrophobicContact CB-CG2 4.44Å; I172-A174 HydrophobicContact CD1-CB 4.19Å; I172-A174 HydrophobicContact CG1-CB 4.42Å; I172-A174 PolarHBondContact O-N 3.44Å; I172-A174 VanDerWaalsContact O-N 3.12Å; I172-T175 HydrophobicContact CD1-CG2 4.08Å; I172-T175 HydrophobicContact CG1-CG2 3.86Å; I172-T175 VanDerWaalsContact CG1-OG1 3.26Å; I172-T175 WeakPolarHBondContact CG1-OG1 3.43Å; I172-T175 PolarHBondContact O-N 3Å; I172-T175 PolarHBondContact O-OG1 3.49Å; I172-R176 PolarHBondContact O-N 3.36Å; I172-R176 VanDerWaalsContact O-N 3.15Å | ||
| 173 | S | 91.5 | Very high | 92 | Very high | 84 Ų | 84 | 56.1 Ų | 56.1 | 59% | 0.587 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -56.6 | -32.6 | 179.8 | 56.2 | 0 | 0 | 0 | 0 | 113 | R176 S177 | S173-R176 PolarHBondContact O-N 3.08Å; S173-S177 WeakPolarHBondContact O-CB 3.47Å; S173-S177 PolarHBondContact O-N 3.15Å |
| 174 | A | 90.6 | Very high | 91.9 | Very high | 13 Ų | 13 | 56 Ų | 56 | 11% | 0.107 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70 | -37.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | R149 I172 R178 | R149-A174 HydrophobicContact CG-CB 4.14Å; I172-A174 HydrophobicContact CD1-CB 4.19Å; I172-A174 HydrophobicContact CG1-CB 4.42Å; I172-A174 PolarHBondContact O-N 3.44Å; I172-A174 VanDerWaalsContact O-N 3.12Å; A174-R178 PolarHBondContact O-NH1 3.27Å |
| 175 | T | 91 | Very high | 91.8 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -74.6 | -40.1 | 174 | 46.8 | 0 | 0 | 0 | 0 | 110.3 | Q145 R149 I171 I172 S177 R178 C179 | Q145-T175 HydrophobicContact CB-CG2 4.36Å; Q145-T175 VanDerWaalsContact O-CG2 3.32Å; Q145-T175 WeakPolarHBondContact O-CG2 3.49Å; R149-T175 HydrophobicContact CB-CG2 4.1Å; I171-T175 WeakPolarHBondContact CG2-OG1 3.42Å; I172-T175 HydrophobicContact CD1-CG2 4.08Å; I172-T175 HydrophobicContact CG1-CG2 3.86Å; I172-T175 VanDerWaalsContact CG1-OG1 3.26Å; I172-T175 WeakPolarHBondContact CG1-OG1 3.43Å; I172-T175 PolarHBondContact O-N 3Å; I172-T175 PolarHBondContact O-OG1 3.49Å; T175-S177 VanDerWaalsContact C-N 3.31Å; T175-S177 PolarHBondContact O-N 3.19Å; T175-R178 PolarHBondContact O-N 3.46Å; T175-R178 VanDerWaalsContact O-N 3.08Å; T175-C179 PolarHBondContact O-N 3.49Å; T175-C179 PolarHBondContact O-SG 2.76Å; T175-C179 VanDerWaalsContact O-SG 3.33Å |
| 176 | R | 91.9 | Very high | 91.8 | Very high | 118 Ų | 118 | 58.9 Ų | 58.9 | 45% | 0.445 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.7 | -40.8 | 175 | -173.4 | 174.6 | 65.8 | -166.5 | 1.9 | 112.8 | L39 I171 I172 S173 R178 C179 | L39-R176 HydrophobicContact CD2-CG 4.32Å; I171-R176 HydrophobicContact CG2-CB 4.48Å; I172-R176 PolarHBondContact O-N 3.36Å; I172-R176 VanDerWaalsContact O-N 3.15Å; S173-R176 PolarHBondContact O-N 3.08Å; R176-R178 PolarHBondContact O-N 3.46Å; R176-C179 PolarHBondContact O-N 2.81Å |
| 177 | S | 90.4 | Very high | 91.9 | Very high | 102 Ų | 102 | 54.2 Ų | 54.2 | 71% | 0.713 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -19.7 | 178.3 | -179.2 | 0 | 0 | 0 | 0 | 114.1 | S173 T175 | S173-S177 WeakPolarHBondContact O-CB 3.47Å; S173-S177 PolarHBondContact O-N 3.15Å; T175-S177 VanDerWaalsContact C-N 3.31Å; T175-S177 PolarHBondContact O-N 3.19Å |
| 178 | R | 91.1 | Very high | 92.2 | Very high | 75 Ų | 75 | 54 Ų | 54 | 28% | 0.283 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -15.2 | -178.6 | -74.5 | 166.3 | -179.1 | 53.7 | 19 | 113.1 | M152 E153 A174 T175 R176 | M152-R178 HydrophobicContact CE-CB 3.7Å; E153-R178 IonicContact OE1-CZ 3.4Å; E153-R178 IonicContact OE1-NE 3.98Å; E153-R178 PolarHBondContact OE1-NE 3.37Å; E153-R178 IonicContact OE1-NH2 3.61Å; E153-R178 PolarHBondContact OE1-NH2 3.38Å; A174-R178 PolarHBondContact O-NH1 3.27Å; T175-R178 PolarHBondContact O-N 3.46Å; T175-R178 VanDerWaalsContact O-N 3.08Å; R176-R178 PolarHBondContact O-N 3.46Å |
| 179 | C | 93.8 | Very high | 92.5 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 5% | 0.054 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -104.7 | 144.5 | 178.3 | -55.8 | 0 | 0 | 0 | 0 | 109.5 | H37 L39 M152 T175 R176 P181 | H37-C179 HydrophobicContact CB-CB 4.46Å; H37-C179 CarbonylContact O-C 3.59Å; H37-C179 WeakPolarHBondContact O-CA 3.42Å; L39-C179 HydrophobicContact CB-CB 3.54Å; M152-C179 WeakPolarHBondContact CE-SG 3.4Å; T175-C179 PolarHBondContact O-N 3.49Å; T175-C179 PolarHBondContact O-SG 2.76Å; T175-C179 VanDerWaalsContact O-SG 3.33Å; R176-C179 PolarHBondContact O-N 2.81Å; C179-P181 WeakPolarHBondContact O-CD 3.35Å |
| 180 | L | 94.4 | Very high | 92.8 | Very high | 75 Ų | 75 | 54.6 Ų | 54.6 | 39% | 0.393 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 115.2 | 164 | -179.4 | 67.3 | 0 | 0 | 0 | 108.7 | L29 P36 H37 L38 L39 I182 | L29-L180 HydrophobicContact CD1-CD2 4.41Å; L29-L180 HydrophobicContact CD2-CD2 3.64Å; P36-L180 HydrophobicContact CG-CB 4.25Å; P36-L180 HydrophobicContact CG-CD2 4.26Å; H37-L180 PolarHBondContact O-N 3.1Å; L38-L180 HydrophobicContact CD2-CB 3.98Å; L38-L180 HydrophobicContact CD2-CD2 4.12Å; L39-L180 PolarHBondContact N-O 3.23Å; L180-I182 PolarHBondContact O-N 2.84Å |
| 181 | P | 94.5 | Very high | 93.1 | Very high | 68 Ų | 68 | 51.6 Ų | 51.6 | 44% | 0.442 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 124.1 | 179 | 28.2 | -33.9 | 0 | 0 | 0 | 111.3 | L39 Y41 C179 | L39-P181 CarbonylContact O-C 3.53Å; L39-P181 WeakPolarHBondContact O-CA 3.01Å; Y41-P181 HydrophobicContact CE1-CB 3.79Å; C179-P181 WeakPolarHBondContact O-CD 3.35Å |
| 182 | I | 94.3 | Very high | 93.2 | Very high | 14 Ų | 14 | 51.1 Ų | 51.1 | 7% | 0.072 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 105.8 | 174.1 | -62.3 | 158.3 | 0 | 0 | 0 | 108.3 | Q22 L26 L38 L39 V40 Y41 L180 V184 | Q22-I182 HydrophobicContact CG-CG2 4.49Å; L26-I182 HydrophobicContact CD2-CD1 3.46Å; L26-I182 VanDerWaalsContact CD2-CD1 3.46Å; L26-I182 HydrophobicContact CD2-CG1 4.16Å; L26-I182 HydrophobicContact CD2-CG2 4.44Å; L38-I182 HydrophobicContact CB-CD1 4.17Å; L38-I182 HydrophobicContact CD1-CD1 3.82Å; L38-I182 HydrophobicContact CD2-CD1 3.84Å; L38-I182 HydrophobicContact CG-CD1 4.16Å; L39-I182 PolarHBondContact O-N 2.9Å; V40-I182 WeakPolarHBondContact CA-O 3.2Å; V40-I182 HydrophobicContact CG2-CB 4.41Å; V40-I182 HydrophobicContact CG2-CD1 4.36Å; Y41-I182 PolarHBondContact N-O 2.61Å; L180-I182 PolarHBondContact O-N 2.84Å; I182-V184 HydrophobicContact CG2-CG2 4.25Å; I182-V184 PolarHBondContact O-N 3.22Å |
| 183 | R | 93.9 | Very high | 93.4 | Very high | 162 Ų | 162 | 50.5 Ų | 50.5 | 61% | 0.611 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 118 | 174 | -177.7 | 178.9 | 172.6 | 151.2 | 2.2 | 110.5 | Q22 Y41 S185 | Q22-R183 PolarHBondContact NE2-O 3.22Å; Y41-R183 HydrophobicContact CD2-CG 4.49Å; Y41-R183 HydrophobicContact CE1-CB 4.15Å; Y41-R183 HydrophobicContact CE2-CB 3.82Å; Y41-R183 HydrophobicContact CE2-CG 3.85Å; R183-S185 PolarHBondContact NE-OG 2.88Å |
| 184 | V | 93.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -104.8 | 97.7 | 171.6 | -175.3 | 0 | 0 | 0 | 0 | 108.1 | V40 Y41 G42 A46 K48 I182 | V40-V184 HydrophobicContact CG1-CG2 3.63Å; Y41-V184 PolarHBondContact O-N 2.85Å; G42-V184 WeakPolarHBondContact CA-O 3.44Å; A46-V184 HydrophobicContact CB-CG1 4.25Å; A46-V184 WeakPolarHBondContact O-CG1 3.43Å; K48-V184 HydrophobicContact CG-CB 4.16Å; I182-V184 HydrophobicContact CG2-CG2 4.25Å; I182-V184 PolarHBondContact O-N 3.22Å | ||
| 185 | S | 92.5 | Very high | 93.7 | Very high | 40 Ų | 40 | 51.9 Ų | 51.9 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 148.3 | 177.7 | -61.8 | 0 | 0 | 0 | 0 | 111 | H19 R183 | H19-S185 PolarHBondContact NE2-O 3.43Å; R183-S185 PolarHBondContact NE-OG 2.88Å |
| 186 | A | 92.8 | Very high | 93.8 | Very high | 31 Ų | 31 | 51.8 Ų | 51.8 | 26% | 0.256 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 142.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | P43 R221 | P43-A186 HydrophobicContact CG-CB 3.67Å; A186-R221 HydrophobicContact CB-CB 4.05Å |
| 187 | P | 93.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -63 | 152.3 | 175.6 | 25.3 | -30.9 | 0 | 0 | 0 | 111 | Y18 E191 I192 L223 | Y18-P187 HydrophobicContact CD1-CB 4.33Å; Y18-P187 HydrophobicContact CD2-CB 3.95Å; Y18-P187 HydrophobicContact CE1-CB 4.38Å; Y18-P187 HydrophobicContact CE1-CG 4.49Å; Y18-P187 HydrophobicContact CE2-CB 4.02Å; Y18-P187 HydrophobicContact CE2-CG 4.33Å; Y18-P187 HydrophobicContact CG-CB 4.14Å; P187-E191 VanDerWaalsContact CA-OE2 3.31Å; P187-E191 WeakPolarHBondContact CA-OE2 3.4Å; P187-E191 HydrophobicContact CB-CB 4.21Å; P187-I192 HydrophobicContact CB-CG1 3.96Å; P187-I192 HydrophobicContact CG-CD1 4Å; P187-I192 HydrophobicContact CG-CG1 3.71Å; P187-L223 HydrophobicContact CG-CB 4.21Å |
| 188 | S | 94.5 | Very high | 94 | Very high | 44 Ų | 44 | 47.7 Ų | 47.7 | 31% | 0.308 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -69 | 161.7 | 173.8 | 81.7 | 0 | 0 | 0 | 0 | 110.8 | D190 E191 I192 | S188-D190 PolarHBondContact O-N 3.29Å; S188-D190 PolarHBondContact OG-N 2.69Å; S188-E191 PolarHBondContact N-OE2 3.4Å; S188-E191 PolarHBondContact O-N 2.53Å; S188-E191 WeakPolarHBondContact OG-CB 3.45Å; S188-E191 VanDerWaalsContact OG-CG 3.28Å; S188-E191 WeakPolarHBondContact OG-CG 3.4Å; S188-E191 PolarHBondContact OG-N 3.22Å; S188-I192 VanDerWaalsContact O-CG1 3.31Å; S188-I192 WeakPolarHBondContact O-CG1 3.38Å; S188-I192 PolarHBondContact O-N 3Å |
| 189 | I | 95 | Very high | 94.1 | Very high | 44 Ų | 44 | 44.4 Ų | 44.4 | 23% | 0.226 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.1 | -42.1 | 176.6 | -65.5 | 166.4 | 0 | 0 | 0 | 109.8 | I192 V193 A216 L217 R221 | I189-I192 PolarHBondContact O-N 3.13Å; I189-V193 VanDerWaalsContact O-CG2 3.26Å; I189-V193 WeakPolarHBondContact O-CG2 3.43Å; I189-V193 PolarHBondContact O-N 3.17Å; I189-A216 HydrophobicContact CG2-CB 3.85Å; I189-L217 HydrophobicContact CD1-CD2 3.69Å; I189-R221 HydrophobicContact CG1-CG 4.43Å |
| 190 | D | 95.3 | Very high | 93.9 | Very high | 111 Ų | 111 | 44 Ų | 44 | 59% | 0.594 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -67.2 | -39.6 | 179.1 | -58.6 | -45.5 | 0 | 0 | 0 | 112.4 | S188 I192 V193 E194 | S188-D190 PolarHBondContact O-N 3.29Å; S188-D190 PolarHBondContact OG-N 2.69Å; D190-I192 VanDerWaalsContact C-N 3.35Å; D190-I192 PolarHBondContact O-N 3.45Å; D190-V193 PolarHBondContact O-N 3.16Å; D190-E194 PolarHBondContact O-N 2.88Å |
| 191 | E | 94.5 | Very high | 93.8 | Very high | 59 Ų | 59 | 47.4 Ų | 47.4 | 28% | 0.276 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 174 | -74.7 | 174.7 | 153.9 | 0 | 0 | 110.9 | P187 S188 E194 I195 | P187-E191 VanDerWaalsContact CA-OE2 3.31Å; P187-E191 WeakPolarHBondContact CA-OE2 3.4Å; P187-E191 HydrophobicContact CB-CB 4.21Å; S188-E191 PolarHBondContact N-OE2 3.4Å; S188-E191 PolarHBondContact O-N 2.53Å; S188-E191 WeakPolarHBondContact OG-CB 3.45Å; S188-E191 VanDerWaalsContact OG-CG 3.28Å; S188-E191 WeakPolarHBondContact OG-CG 3.4Å; S188-E191 PolarHBondContact OG-N 3.22Å; E191-E194 PolarHBondContact O-N 2.94Å; E191-I195 WeakPolarHBondContact O-CD1 3.31Å; E191-I195 WeakPolarHBondContact O-CG1 3.37Å; E191-I195 PolarHBondContact O-N 3.21Å |
| 192 | I | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.2 | -45.8 | 175.8 | -65.2 | 166.2 | 0 | 0 | 0 | 110.2 | P187 S188 I189 D190 E194 I195 L196 A216 R221 L223 A226 | P187-I192 HydrophobicContact CB-CG1 3.96Å; P187-I192 HydrophobicContact CG-CD1 4Å; P187-I192 HydrophobicContact CG-CG1 3.71Å; S188-I192 VanDerWaalsContact O-CG1 3.31Å; S188-I192 WeakPolarHBondContact O-CG1 3.38Å; S188-I192 PolarHBondContact O-N 3Å; I189-I192 PolarHBondContact O-N 3.13Å; D190-I192 VanDerWaalsContact C-N 3.35Å; D190-I192 PolarHBondContact O-N 3.45Å; I192-E194 VanDerWaalsContact C-N 3.31Å; I192-E194 PolarHBondContact O-N 3.09Å; I192-I195 PolarHBondContact O-N 3.34Å; I192-L196 HydrophobicContact CG2-CD1 3.84Å; I192-L196 HydrophobicContact CG2-CG 4.01Å; I192-L196 WeakPolarHBondContact O-CB 3.35Å; I192-L196 VanDerWaalsContact O-CG 3.26Å; I192-L196 WeakPolarHBondContact O-CG 3.45Å; I192-L196 PolarHBondContact O-N 3.49Å; I192-A216 HydrophobicContact CB-CB 4.07Å; I192-A216 HydrophobicContact CG2-CB 3.75Å; I192-R221 HydrophobicContact CD1-CB 4.13Å; I192-R221 HydrophobicContact CD1-CG 4.5Å; I192-L223 HydrophobicContact CG1-CD1 4.33Å; I192-L223 HydrophobicContact CG2-CD1 4.34Å; I192-A226 HydrophobicContact CG2-CB 3.77Å |
| 193 | V | 95.6 | Very high | 93.3 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 7% | 0.067 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.7 | -44.4 | 177.6 | 168.4 | 0 | 0 | 0 | 0 | 111.2 | I189 D190 R197 V209 A212 K213 A216 | I189-V193 VanDerWaalsContact O-CG2 3.26Å; I189-V193 WeakPolarHBondContact O-CG2 3.43Å; I189-V193 PolarHBondContact O-N 3.17Å; D190-V193 PolarHBondContact O-N 3.16Å; V193-R197 WeakPolarHBondContact O-CB 3.18Å; V193-R197 VanDerWaalsContact O-CG 3.26Å; V193-R197 WeakPolarHBondContact O-CG 3.21Å; V193-R197 PolarHBondContact O-N 3.32Å; V193-V209 HydrophobicContact CG1-CG1 4.32Å; V193-A212 HydrophobicContact CB-CB 4.29Å; V193-A212 HydrophobicContact CG1-CB 3.83Å; V193-A212 HydrophobicContact CG2-CB 4.06Å; V193-K213 HydrophobicContact CG2-CB 4.39Å; V193-K213 HydrophobicContact CG2-CG 3.72Å; V193-A216 HydrophobicContact CG2-CB 4.21Å |
| 194 | E | 94.5 | Very high | 93 | Very high | 116 Ų | 116 | 48.4 Ų | 48.4 | 54% | 0.542 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 176 | -171.2 | -176.4 | 170.8 | 0 | 0 | 111.6 | D190 E191 I192 R197 N198 | D190-E194 PolarHBondContact O-N 2.88Å; E191-E194 PolarHBondContact O-N 2.94Å; I192-E194 VanDerWaalsContact C-N 3.31Å; I192-E194 PolarHBondContact O-N 3.09Å; E194-R197 PolarHBondContact O-N 3.1Å; E194-N198 WeakPolarHBondContact O-CB 3.46Å; E194-N198 PolarHBondContact O-N 3.47Å; E194-N198 PolarHBondContact O-ND2 3.21Å |
| 195 | I | 94.3 | Very high | 92.5 | Very high | 10 Ų | 10 | 51.2 Ų | 51.2 | 5% | 0.051 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.2 | -49.8 | 178.8 | -66.8 | 162.8 | 0 | 0 | 0 | 110.6 | D17 Y18 E191 I192 R197 N198 T199 L223 | D17-I195 HydrophobicContact CB-CD1 3.7Å; D17-I195 HydrophobicContact CB-CG1 3.59Å; Y18-I195 HydrophobicContact CD1-CD1 3.89Å; Y18-I195 HydrophobicContact CE1-CD1 4.42Å; E191-I195 WeakPolarHBondContact O-CD1 3.31Å; E191-I195 WeakPolarHBondContact O-CG1 3.37Å; E191-I195 PolarHBondContact O-N 3.21Å; I192-I195 PolarHBondContact O-N 3.34Å; I195-R197 VanDerWaalsContact C-N 3.32Å; I195-R197 PolarHBondContact O-N 3.44Å; I195-N198 PolarHBondContact O-N 3.15Å; I195-N198 VanDerWaalsContact O-N 3.17Å; I195-T199 HydrophobicContact CG2-CG2 4.39Å; I195-T199 WeakPolarHBondContact O-CG2 3.39Å; I195-T199 PolarHBondContact O-N 3.36Å; I195-T199 PolarHBondContact O-OG1 3.09Å; I195-L223 HydrophobicContact CB-CD1 4.35Å; I195-L223 HydrophobicContact CD1-CD1 4.03Å; I195-L223 HydrophobicContact CD1-CD2 3.95Å; I195-L223 HydrophobicContact CG2-CD1 3.99Å |
| 196 | L | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.1 | -43.6 | -179.3 | -67.1 | 178.2 | 0 | 0 | 0 | 111 | I192 N198 T199 A200 M207 I215 A226 L227 A230 | I192-L196 HydrophobicContact CG2-CD1 3.84Å; I192-L196 HydrophobicContact CG2-CG 4.01Å; I192-L196 WeakPolarHBondContact O-CB 3.35Å; I192-L196 VanDerWaalsContact O-CG 3.26Å; I192-L196 WeakPolarHBondContact O-CG 3.45Å; I192-L196 PolarHBondContact O-N 3.49Å; L196-N198 VanDerWaalsContact C-N 3.35Å; L196-N198 PolarHBondContact O-N 3.28Å; L196-T199 WeakPolarHBondContact CA-OG1 3.45Å; L196-T199 PolarHBondContact O-N 3.22Å; L196-T199 PolarHBondContact O-OG1 3.13Å; L196-A200 WeakPolarHBondContact O-CB 3.41Å; L196-A200 PolarHBondContact O-N 3.29Å; L196-M207 VanDerWaalsContact C-CE 3.43Å; L196-M207 HydrophobicContact CB-CE 3.22Å; L196-M207 HydrophobicContact CB-SD 4.21Å; L196-M207 HydrophobicContact CD1-CE 4.37Å; L196-M207 HydrophobicContact CG-CE 4.41Å; L196-I215 HydrophobicContact CD1-CB 4.22Å; L196-I215 HydrophobicContact CD1-CG2 3.78Å; L196-A226 HydrophobicContact CD1-CB 4.41Å; L196-A226 HydrophobicContact CD2-CB 4.29Å; L196-L227 HydrophobicContact CD2-CD2 3.78Å; L196-L227 HydrophobicContact CD2-CG 4.21Å; L196-A230 HydrophobicContact CD2-CB 3.85Å |
| 197 | R | 93.7 | Very high | 92 | Very high | 84 Ų | 84 | 52.4 Ų | 52.4 | 32% | 0.317 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 177 | -72.5 | 176.8 | 76 | -160.9 | 5.4 | 111.8 | V193 E194 I195 A200 R201 M207 | V193-R197 WeakPolarHBondContact O-CB 3.18Å; V193-R197 VanDerWaalsContact O-CG 3.26Å; V193-R197 WeakPolarHBondContact O-CG 3.21Å; V193-R197 PolarHBondContact O-N 3.32Å; E194-R197 PolarHBondContact O-N 3.1Å; I195-R197 VanDerWaalsContact C-N 3.32Å; I195-R197 PolarHBondContact O-N 3.44Å; R197-A200 PolarHBondContact O-N 3.14Å; R197-R201 WeakPolarHBondContact O-CB 3.28Å; R197-R201 VanDerWaalsContact O-CG 3.27Å; R197-R201 WeakPolarHBondContact O-CG 3.35Å; R197-R201 PolarHBondContact O-N 3.33Å; R197-M207 HydrophobicContact CG-CE 3.85Å |
| 198 | N | 93.2 | Very high | 91.9 | Very high | 50 Ų | 50 | 53.6 Ų | 53.6 | 27% | 0.267 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 176.4 | -72 | -21.4 | 0 | 0 | 0 | 111.4 | E194 I195 L196 R201 R202 | E194-N198 WeakPolarHBondContact O-CB 3.46Å; E194-N198 PolarHBondContact O-N 3.47Å; E194-N198 PolarHBondContact O-ND2 3.21Å; I195-N198 PolarHBondContact O-N 3.15Å; I195-N198 VanDerWaalsContact O-N 3.17Å; L196-N198 VanDerWaalsContact C-N 3.35Å; L196-N198 PolarHBondContact O-N 3.28Å; N198-R201 PolarHBondContact O-N 3.07Å; N198-R202 WeakPolarHBondContact O-CG 3.36Å; N198-R202 PolarHBondContact O-N 3.48Å; N198-R202 VanDerWaalsContact O-N 3.1Å |
| 199 | T | 92.1 | Very high | 91.8 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66 | -42.6 | 175.4 | 53.4 | 0 | 0 | 0 | 0 | 112.3 | Y8 I195 L196 R201 R202 E203 L227 | Y8-T199 HydrophobicContact CD2-CG2 4.03Å; Y8-T199 HydrophobicContact CG-CG2 3.99Å; I195-T199 HydrophobicContact CG2-CG2 4.39Å; I195-T199 WeakPolarHBondContact O-CG2 3.39Å; I195-T199 PolarHBondContact O-N 3.36Å; I195-T199 PolarHBondContact O-OG1 3.09Å; L196-T199 WeakPolarHBondContact CA-OG1 3.45Å; L196-T199 PolarHBondContact O-N 3.22Å; L196-T199 PolarHBondContact O-OG1 3.13Å; T199-R201 PolarHBondContact O-N 3.3Å; T199-R202 PolarHBondContact O-N 3.18Å; T199-E203 WeakPolarHBondContact O-CG 3.34Å; T199-E203 PolarHBondContact O-N 2.92Å; T199-L227 HydrophobicContact CG2-CD2 3.94Å |
| 200 | A | 90.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L196 R197 R202 E203 G204 H205 M207 | L196-A200 WeakPolarHBondContact O-CB 3.41Å; L196-A200 PolarHBondContact O-N 3.29Å; R197-A200 PolarHBondContact O-N 3.14Å; A200-R202 VanDerWaalsContact C-N 3.34Å; A200-R202 PolarHBondContact O-N 2.85Å; A200-E203 CarbonylContact O-C 3.53Å; A200-E203 WeakPolarHBondContact O-CA 3.44Å; A200-E203 WeakPolarHBondContact O-CB 3.37Å; A200-E203 PolarHBondContact O-N 3.24Å; A200-G204 PolarHBondContact O-N 2.82Å; A200-H205 CarbonylContact C-O 3.59Å; A200-H205 WeakPolarHBondContact CB-O 3.4Å; A200-H205 PolarHBondContact O-N 3.39Å; A200-M207 HydrophobicContact CB-CB 3.75Å |
| 201 | R | 91.6 | Very high | 91.5 | Very high | 147 Ų | 147 | 51 Ų | 51 | 56% | 0.555 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60 | -40.8 | 177 | -76.7 | 173.3 | 175.7 | -172.8 | -4.1 | 112.6 | R197 N198 T199 E203 G204 H205 | R197-R201 WeakPolarHBondContact O-CB 3.28Å; R197-R201 VanDerWaalsContact O-CG 3.27Å; R197-R201 WeakPolarHBondContact O-CG 3.35Å; R197-R201 PolarHBondContact O-N 3.33Å; N198-R201 PolarHBondContact O-N 3.07Å; T199-R201 PolarHBondContact O-N 3.3Å; R201-E203 PolarHBondContact O-N 3.31Å; R201-G204 PolarHBondContact O-N 3.44Å; R201-H205 WeakPolarHBondContact CA-O 3.47Å; R201-H205 PolarHBondContact N-O 2.98Å |
| 202 | R | 90.9 | Very high | 91.4 | Very high | 153 Ų | 153 | 48.2 Ų | 48.2 | 58% | 0.577 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.8 | -26.8 | 175.7 | -72 | 176.6 | -174.2 | 170.9 | 4.4 | 112.8 | Y8 N198 T199 A200 G204 | Y8-R202 HydrophobicContact CE1-CB 3.75Å; Y8-R202 HydrophobicContact CE1-CG 4.3Å; Y8-R202 WeakPolarHBondContact OH-CB 3.48Å; N198-R202 WeakPolarHBondContact O-CG 3.36Å; N198-R202 PolarHBondContact O-N 3.48Å; N198-R202 VanDerWaalsContact O-N 3.1Å; T199-R202 PolarHBondContact O-N 3.18Å; A200-R202 VanDerWaalsContact C-N 3.34Å; A200-R202 PolarHBondContact O-N 2.85Å; R202-G204 VanDerWaalsContact C-N 3.29Å |
| 203 | E | 87.9 | Confident | 91.4 | Very high | 41 Ų | 41 | 53 Ų | 53 | 19% | 0.192 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 0.9 | 173.7 | -67.3 | -76.1 | 129 | 0 | 0 | 113.2 | W4 K7 Y8 T199 A200 R201 H205 K234 | W4-E203 HydrophobicContact CD2-CG 4.47Å; W4-E203 HydrophobicContact CH2-CG 4.44Å; W4-E203 HydrophobicContact CZ2-CB 3.97Å; W4-E203 HydrophobicContact CZ2-CG 3.56Å; W4-E203 VanDerWaalsContact NE1-CD 3.29Å; W4-E203 PolarHBondContact NE1-OE2 2.93Å; K7-E203 IonicContact NZ-OE1 2.57Å; K7-E203 PolarHBondContact NZ-OE1 3.35Å; Y8-E203 HydrophobicContact CE2-CG 3.9Å; Y8-E203 WeakPolarHBondContact CE2-OE1 3.44Å; Y8-E203 VanDerWaalsContact CZ-OE1 3.3Å; Y8-E203 WeakPolarHBondContact OH-CG 3.46Å; Y8-E203 PolarHBondContact OH-OE1 2.99Å; T199-E203 WeakPolarHBondContact O-CG 3.34Å; T199-E203 PolarHBondContact O-N 2.92Å; A200-E203 CarbonylContact O-C 3.53Å; A200-E203 WeakPolarHBondContact O-CA 3.44Å; A200-E203 WeakPolarHBondContact O-CB 3.37Å; A200-E203 PolarHBondContact O-N 3.24Å; R201-E203 PolarHBondContact O-N 3.31Å; E203-H205 PolarHBondContact O-CE1 3.33Å; E203-H205 VanDerWaalsContact O-CE1 3.28Å; E203-H205 PolarHBondContact O-ND1 3.46Å; E203-K234 IonicContact OE2-NZ 3.79Å |
| 204 | G | 86.7 | Confident | 91.3 | Very high | 70 Ų | 70 | 56.4 Ų | 56.4 | 72% | 0.722 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 12.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | A200 R201 R202 | A200-G204 PolarHBondContact O-N 2.82Å; R201-G204 PolarHBondContact O-N 3.44Å; R202-G204 VanDerWaalsContact C-N 3.29Å |
| 205 | H | 83.5 | Confident | 91.3 | Very high | 60 Ų | 60 | 50.9 Ų | 50.9 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | trans | -118.2 | 143.9 | -178.4 | -58 | 76.9 | 0 | 0 | 0 | 110.7 | A200 R201 E203 | A200-H205 CarbonylContact C-O 3.59Å; A200-H205 WeakPolarHBondContact CB-O 3.4Å; A200-H205 PolarHBondContact O-N 3.39Å; R201-H205 WeakPolarHBondContact CA-O 3.47Å; R201-H205 PolarHBondContact N-O 2.98Å; E203-H205 PolarHBondContact O-CE1 3.33Å; E203-H205 VanDerWaalsContact O-CE1 3.28Å; E203-H205 PolarHBondContact O-ND1 3.46Å | ||
| 206 | S | 86.4 | Confident | 91.3 | Very high | 91 Ų | 91 | 50.4 Ų | 50.4 | 64% | 0.636 | 25% | 0.25 | S | C | * | . | P | Polyproline II helix | trans | -97.8 | 118.9 | 173 | -170.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 207 | M | 88.3 | Confident | 91.3 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.02 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -93.7 | 125.9 | 175.2 | -175.5 | -176.6 | 59.1 | 0 | 0 | 110.2 | L196 R197 A200 A212 I215 M240 | L196-M207 VanDerWaalsContact C-CE 3.43Å; L196-M207 HydrophobicContact CB-CE 3.22Å; L196-M207 HydrophobicContact CB-SD 4.21Å; L196-M207 HydrophobicContact CD1-CE 4.37Å; L196-M207 HydrophobicContact CG-CE 4.41Å; R197-M207 HydrophobicContact CG-CE 3.85Å; A200-M207 HydrophobicContact CB-CB 3.75Å; M207-A212 HydrophobicContact CE-CB 3.35Å; M207-A212 HydrophobicContact SD-CB 4.12Å; M207-I215 HydrophobicContact SD-CD1 4.34Å; M207-M240 HydrophobicContact CB-SD 4.05Å; M207-M240 HydrophobicContact CG-CE 3.78Å; M207-M240 HydrophobicContact CG-SD 3.93Å; M207-M240 HydrophobicContact SD-CE 3.96Å |
| 208 | P | 92 | Very high | 91.2 | Very high | 26 Ų | 26 | 53 Ų | 53 | 17% | 0.169 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 149.3 | 174.8 | -24.2 | 33.8 | 0 | 0 | 0 | 112.8 | E210 L211 A212 M240 P242 | P208-E210 VanDerWaalsContact C-N 3.34Å; P208-L211 HydrophobicContact CB-CB 4.38Å; P208-A212 WeakPolarHBondContact O-CB 3.32Å; P208-A212 PolarHBondContact O-N 2.62Å; P208-A212 VanDerWaalsContact O-N 3.12Å; P208-M240 VanDerWaalsContact CG-O 3.31Å; P208-M240 WeakPolarHBondContact CG-O 3.44Å; P208-P242 HydrophobicContact CB-CB 4.1Å; P208-P242 HydrophobicContact CG-CB 4.47Å |
| 209 | V | 92.3 | Very high | 91.1 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 25% | 0.248 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.1 | -34.8 | -177.2 | 179 | 0 | 0 | 0 | 0 | 110.8 | V193 A212 K213 | V193-V209 HydrophobicContact CG1-CG1 4.32Å; V209-A212 PolarHBondContact O-N 3.4Å; V209-K213 HydrophobicContact CG1-CD 4.26Å; V209-K213 WeakPolarHBondContact O-CG 3.4Å; V209-K213 PolarHBondContact O-N 3.25Å |
| 210 | E | 92.7 | Very high | 91.1 | Very high | 103 Ų | 103 | 55.9 Ų | 55.9 | 48% | 0.481 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.2 | -49.5 | 179.8 | -61.8 | 67.8 | -146.3 | 0 | 0 | 110.3 | P208 K213 R214 P242 | P208-E210 VanDerWaalsContact C-N 3.34Å; E210-K213 PolarHBondContact O-N 3.04Å; E210-R214 WeakPolarHBondContact O-CG 3.46Å; E210-R214 PolarHBondContact O-N 2.83Å; E210-R214 VanDerWaalsContact O-N 3.08Å; E210-P242 HydrophobicContact CB-CB 4.33Å |
| 211 | L | 91.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 176.7 | 179.8 | 58 | 0 | 0 | 0 | 111.4 | P208 K213 R214 I215 M240 Q244 V246 | P208-L211 HydrophobicContact CB-CB 4.38Å; L211-K213 VanDerWaalsContact C-N 3.29Å; L211-K213 PolarHBondContact O-N 3Å; L211-R214 PolarHBondContact O-N 2.88Å; L211-I215 HydrophobicContact CD1-CD1 4.17Å; L211-I215 HydrophobicContact CD1-CG1 4.31Å; L211-I215 HydrophobicContact CG-CD1 3.99Å; L211-I215 WeakPolarHBondContact O-CG1 3.4Å; L211-I215 PolarHBondContact O-N 3.26Å; L211-M240 HydrophobicContact CD2-CB 3.94Å; L211-M240 HydrophobicContact CD2-CE 3.58Å; L211-Q244 HydrophobicContact CD1-CB 4.15Å; L211-Q244 HydrophobicContact CD2-CB 4.34Å; L211-V246 HydrophobicContact CD1-CG2 4.45Å |
| 212 | A | 93.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.4 | -42.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V193 M207 P208 V209 I215 A216 | V193-A212 HydrophobicContact CB-CB 4.29Å; V193-A212 HydrophobicContact CG1-CB 3.83Å; V193-A212 HydrophobicContact CG2-CB 4.06Å; M207-A212 HydrophobicContact CE-CB 3.35Å; M207-A212 HydrophobicContact SD-CB 4.12Å; P208-A212 WeakPolarHBondContact O-CB 3.32Å; P208-A212 PolarHBondContact O-N 2.62Å; P208-A212 VanDerWaalsContact O-N 3.12Å; V209-A212 PolarHBondContact O-N 3.4Å; A212-I215 PolarHBondContact O-N 3.18Å; A212-A216 WeakPolarHBondContact O-CB 3.42Å; A212-A216 PolarHBondContact O-N 2.95Å |
| 213 | K | 94.6 | Very high | 91.6 | Very high | 100 Ų | 100 | 49.8 Ų | 49.8 | 44% | 0.435 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 177 | -77.5 | 176.1 | 176.9 | -179.4 | 0 | 111.7 | V193 V209 E210 L211 A216 L217 | V193-K213 HydrophobicContact CG2-CB 4.39Å; V193-K213 HydrophobicContact CG2-CG 3.72Å; V209-K213 HydrophobicContact CG1-CD 4.26Å; V209-K213 WeakPolarHBondContact O-CG 3.4Å; V209-K213 PolarHBondContact O-N 3.25Å; E210-K213 PolarHBondContact O-N 3.04Å; L211-K213 VanDerWaalsContact C-N 3.29Å; L211-K213 PolarHBondContact O-N 3Å; K213-A216 PolarHBondContact O-N 3.25Å; K213-L217 WeakPolarHBondContact O-CG 3.44Å; K213-L217 PolarHBondContact O-N 3Å |
| 214 | R | 93 | Very high | 91.8 | Very high | 84 Ų | 84 | 54.6 Ų | 54.6 | 32% | 0.317 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 174.9 | -66.6 | 175.9 | -147.2 | -170.5 | -6.2 | 111.7 | E210 L211 A216 L217 A218 P242 D243 Q244 V246 | E210-R214 WeakPolarHBondContact O-CG 3.46Å; E210-R214 PolarHBondContact O-N 2.83Å; E210-R214 VanDerWaalsContact O-N 3.08Å; L211-R214 PolarHBondContact O-N 2.88Å; R214-A216 VanDerWaalsContact C-N 3.34Å; R214-A216 PolarHBondContact O-N 3.44Å; R214-L217 PolarHBondContact O-N 3.32Å; R214-A218 WeakPolarHBondContact O-CB 3.22Å; R214-A218 PolarHBondContact O-N 3.1Å; R214-P242 PolarHBondContact NH1-O 3.03Å; R214-P242 PolarHBondContact NH2-O 3.19Å; R214-D243 IonicContact CZ-OD1 3.82Å; R214-D243 VanDerWaalsContact NH1-CA 3.35Å; R214-D243 PolarHBondContact NH1-O 2.87Å; R214-D243 IonicContact NH2-OD1 3.75Å; R214-D243 PolarHBondContact NH2-OD1 3.36Å; R214-Q244 PolarHBondContact NH1-O 3.29Å; R214-V246 HydrophobicContact CB-CG2 4.04Å |
| 215 | I | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 176.9 | -68.6 | 168.5 | 0 | 0 | 0 | 110.6 | L196 M207 L211 A212 L217 A218 S219 A226 Y229 A230 A233 V246 | L196-I215 HydrophobicContact CD1-CB 4.22Å; L196-I215 HydrophobicContact CD1-CG2 3.78Å; M207-I215 HydrophobicContact SD-CD1 4.34Å; L211-I215 HydrophobicContact CD1-CD1 4.17Å; L211-I215 HydrophobicContact CD1-CG1 4.31Å; L211-I215 HydrophobicContact CG-CD1 3.99Å; L211-I215 WeakPolarHBondContact O-CG1 3.4Å; L211-I215 PolarHBondContact O-N 3.26Å; A212-I215 PolarHBondContact O-N 3.18Å; I215-L217 VanDerWaalsContact C-N 3.33Å; I215-L217 PolarHBondContact O-N 3.29Å; I215-A218 PolarHBondContact O-N 3.44Å; I215-S219 VanDerWaalsContact O-CB 3.27Å; I215-S219 WeakPolarHBondContact O-CB 3.31Å; I215-S219 PolarHBondContact O-N 3.47Å; I215-S219 PolarHBondContact O-OG 3.38Å; I215-A226 HydrophobicContact CG2-CB 4.28Å; I215-A226 WeakPolarHBondContact CG2-O 3.31Å; I215-Y229 HydrophobicContact CG2-CD2 4.39Å; I215-A230 HydrophobicContact CD1-CB 4.28Å; I215-A233 HydrophobicContact CD1-CB 4.2Å; I215-V246 HydrophobicContact CG1-CG1 4.5Å; I215-V246 HydrophobicContact CG1-CG2 3.69Å |
| 216 | A | 94.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.6 | -40.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | I189 I192 V193 A212 K213 R214 S219 | I189-A216 HydrophobicContact CG2-CB 3.85Å; I192-A216 HydrophobicContact CB-CB 4.07Å; I192-A216 HydrophobicContact CG2-CB 3.75Å; V193-A216 HydrophobicContact CG2-CB 4.21Å; A212-A216 WeakPolarHBondContact O-CB 3.42Å; A212-A216 PolarHBondContact O-N 2.95Å; K213-A216 PolarHBondContact O-N 3.25Å; R214-A216 VanDerWaalsContact C-N 3.34Å; R214-A216 PolarHBondContact O-N 3.44Å; A216-S219 PolarHBondContact O-OG 2.76Å |
| 217 | L | 93.6 | Very high | 93 | Very high | 113 Ų | 113 | 47.3 Ų | 47.3 | 59% | 0.592 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -64.7 | -49.9 | 173.7 | -71.7 | 169.6 | 0 | 0 | 0 | 111.9 | I189 K213 R214 I215 S219 E220 | I189-L217 HydrophobicContact CD1-CD2 3.69Å; K213-L217 WeakPolarHBondContact O-CG 3.44Å; K213-L217 PolarHBondContact O-N 3Å; R214-L217 PolarHBondContact O-N 3.32Å; I215-L217 VanDerWaalsContact C-N 3.33Å; I215-L217 PolarHBondContact O-N 3.29Å; L217-S219 PolarHBondContact O-N 3.29Å; L217-E220 PolarHBondContact O-N 3.26Å; L217-E220 VanDerWaalsContact O-N 3.16Å |
| 218 | A | 92 | Very high | 93.3 | Very high | 25 Ų | 25 | 49.5 Ų | 49.5 | 21% | 0.207 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.9 | -25 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R214 I215 E220 Y229 V246 L248 | R214-A218 WeakPolarHBondContact O-CB 3.22Å; R214-A218 PolarHBondContact O-N 3.1Å; I215-A218 PolarHBondContact O-N 3.44Å; A218-E220 VanDerWaalsContact C-N 3.28Å; A218-E220 PolarHBondContact O-N 2.89Å; A218-Y229 HydrophobicContact CB-CE2 4.32Å; A218-V246 HydrophobicContact CB-CG1 4.12Å; A218-L248 HydrophobicContact CB-CD2 4.17Å |
| 219 | S | 91.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -5.7 | 177.8 | 74.7 | 0 | 0 | 0 | 0 | 114.6 | I215 A216 L217 R221 N222 | I215-S219 VanDerWaalsContact O-CB 3.27Å; I215-S219 WeakPolarHBondContact O-CB 3.31Å; I215-S219 PolarHBondContact O-N 3.47Å; I215-S219 PolarHBondContact O-OG 3.38Å; A216-S219 PolarHBondContact O-OG 2.76Å; L217-S219 PolarHBondContact O-N 3.29Å; S219-R221 PolarHBondContact O-N 2.85Å; S219-N222 VanDerWaalsContact O-CB 3.22Å; S219-N222 WeakPolarHBondContact O-CB 3.42Å; S219-N222 PolarHBondContact O-N 3.49Å |
| 220 | E | 92.1 | Very high | 93.3 | Very high | 115 Ų | 115 | 47.2 Ų | 47.2 | 54% | 0.537 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 35.2 | -175.7 | -60 | 161.2 | -132.9 | 0 | 0 | 112.7 | L217 A218 N222 R225 | L217-E220 PolarHBondContact O-N 3.26Å; L217-E220 VanDerWaalsContact O-N 3.16Å; A218-E220 VanDerWaalsContact C-N 3.28Å; A218-E220 PolarHBondContact O-N 2.89Å; E220-N222 PolarHBondContact O-N 2.99Å; E220-R225 IonicContact OE1-CZ 2.82Å; E220-R225 IonicContact OE1-NH1 3.25Å; E220-R225 PolarHBondContact OE1-NH1 3.22Å; E220-R225 IonicContact OE1-NH2 2.81Å; E220-R225 IonicContact OE2-NH1 3.71Å |
| 221 | R | 93.8 | Very high | 93.2 | Very high | 130 Ų | 130 | 43.7 Ų | 43.7 | 49% | 0.491 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 19 | -174.4 | -51.6 | -179.7 | 178.5 | 178.4 | -1 | 115.3 | A186 I189 I192 S219 L223 | A186-R221 HydrophobicContact CB-CB 4.05Å; I189-R221 HydrophobicContact CG1-CG 4.43Å; I192-R221 HydrophobicContact CD1-CB 4.13Å; I192-R221 HydrophobicContact CD1-CG 4.5Å; S219-R221 PolarHBondContact O-N 2.85Å; R221-L223 PolarHBondContact O-N 3.38Å |
| 222 | N | 94.5 | Very high | 93.2 | Very high | 24 Ų | 24 | 46.7 Ų | 46.7 | 13% | 0.128 | 21% | 0.213 | C | C | . | . | trans | -87.4 | 105.6 | 170.1 | -176.4 | -40.5 | 0 | 0 | 0 | 109.3 | S44 G45 S219 E220 R224 R225 A226 | S44-N222 PolarHBondContact O-ND2 3.21Å; G45-N222 WeakPolarHBondContact CA-OD1 3.2Å; S219-N222 VanDerWaalsContact O-CB 3.22Å; S219-N222 WeakPolarHBondContact O-CB 3.42Å; S219-N222 PolarHBondContact O-N 3.49Å; E220-N222 PolarHBondContact O-N 2.99Å; N222-R224 VanDerWaalsContact C-N 3.27Å; N222-R224 PolarHBondContact O-N 2.95Å; N222-R224 WeakPolarHBondContact OD1-CB 3.44Å; N222-R224 PolarHBondContact OD1-N 3.27Å; N222-R224 VanDerWaalsContact OD1-N 3.15Å; N222-R225 HydrophobicContact CB-CB 4.03Å; N222-R225 HydrophobicContact CB-CG 4.04Å; N222-R225 PolarHBondContact O-N 2.75Å; N222-R225 VanDerWaalsContact O-N 3.14Å; N222-R225 PolarHBondContact OD1-N 3.46Å; N222-A226 PolarHBondContact O-N 2.92Å | ||
| 223 | L | 93.5 | Very high | 93 | Very high | 19 Ų | 19 | 46.9 Ų | 46.9 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.1 | -34.5 | -174.7 | -177.6 | 60.8 | 0 | 0 | 0 | 112.8 | Y18 G45 P187 I192 I195 R221 A226 L227 | Y18-L223 HydrophobicContact CE1-CD2 3.8Å; G45-L223 PolarHBondContact O-N 3.34Å; P187-L223 HydrophobicContact CG-CB 4.21Å; I192-L223 HydrophobicContact CG1-CD1 4.33Å; I192-L223 HydrophobicContact CG2-CD1 4.34Å; I195-L223 HydrophobicContact CB-CD1 4.35Å; I195-L223 HydrophobicContact CD1-CD1 4.03Å; I195-L223 HydrophobicContact CD1-CD2 3.95Å; I195-L223 HydrophobicContact CG2-CD1 3.99Å; R221-L223 PolarHBondContact O-N 3.38Å; L223-A226 PolarHBondContact O-N 3.48Å; L223-L227 HydrophobicContact CD1-CG 4.47Å; L223-L227 HydrophobicContact CG-CD1 4.32Å; L223-L227 WeakPolarHBondContact O-CG 3.28Å; L223-L227 PolarHBondContact O-N 3.38Å |
| 224 | R | 94 | Very high | 92.7 | Very high | 142 Ų | 142 | 44.3 Ų | 44.3 | 54% | 0.536 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.4 | -47.5 | 175.6 | -177.3 | 174.7 | -173.7 | -91.4 | 0.2 | 110.8 | V5 N222 A226 L227 L228 | V5-R224 HydrophobicContact CG1-CG 3.89Å; V5-R224 HydrophobicContact CG2-CG 4.21Å; N222-R224 VanDerWaalsContact C-N 3.27Å; N222-R224 PolarHBondContact O-N 2.95Å; N222-R224 WeakPolarHBondContact OD1-CB 3.44Å; N222-R224 PolarHBondContact OD1-N 3.27Å; N222-R224 VanDerWaalsContact OD1-N 3.15Å; R224-A226 VanDerWaalsContact C-N 3.33Å; R224-A226 PolarHBondContact O-N 3.44Å; R224-L227 PolarHBondContact O-N 3Å; R224-L228 HydrophobicContact CG-CD1 4.49Å; R224-L228 WeakPolarHBondContact O-CG 3.28Å; R224-L228 PolarHBondContact O-N 2.97Å |
| 225 | R | 93.4 | Very high | 92.4 | Very high | 53 Ų | 53 | 49.1 Ų | 49.1 | 20% | 0.2 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.9 | -42.5 | 175 | -69.4 | 176.9 | 72 | -176 | 0.5 | 111 | E220 N222 L227 L228 Y229 | E220-R225 IonicContact OE1-CZ 2.82Å; E220-R225 IonicContact OE1-NH1 3.25Å; E220-R225 PolarHBondContact OE1-NH1 3.22Å; E220-R225 IonicContact OE1-NH2 2.81Å; E220-R225 IonicContact OE2-NH1 3.71Å; N222-R225 HydrophobicContact CB-CB 4.03Å; N222-R225 HydrophobicContact CB-CG 4.04Å; N222-R225 PolarHBondContact O-N 2.75Å; N222-R225 VanDerWaalsContact O-N 3.14Å; N222-R225 PolarHBondContact OD1-N 3.46Å; R225-L227 PolarHBondContact O-N 3.35Å; R225-L228 PolarHBondContact O-N 2.95Å; R225-Y229 PolarHBondContact NH2-OH 3.17Å; R225-Y229 WeakPolarHBondContact O-CD2 3.37Å; R225-Y229 PolarHBondContact O-N 3.17Å |
| 226 | A | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.7 | -44.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I192 L196 I215 N222 L223 R224 Y229 A230 | I192-A226 HydrophobicContact CG2-CB 3.77Å; L196-A226 HydrophobicContact CD1-CB 4.41Å; L196-A226 HydrophobicContact CD2-CB 4.29Å; I215-A226 HydrophobicContact CG2-CB 4.28Å; I215-A226 WeakPolarHBondContact CG2-O 3.31Å; N222-A226 PolarHBondContact O-N 2.92Å; L223-A226 PolarHBondContact O-N 3.48Å; R224-A226 VanDerWaalsContact C-N 3.33Å; R224-A226 PolarHBondContact O-N 3.44Å; A226-Y229 PolarHBondContact O-N 3.31Å; A226-A230 PolarHBondContact O-N 2.85Å |
| 227 | L | 93.9 | Very high | 91.3 | Very high | 15 Ų | 15 | 57 Ų | 57 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 177.6 | -75.6 | 167.8 | 0 | 0 | 0 | 112.2 | V5 L196 T199 L223 R224 R225 A230 E231 | V5-L227 HydrophobicContact CG2-CB 3.76Å; V5-L227 HydrophobicContact CG2-CD1 4.44Å; L196-L227 HydrophobicContact CD2-CD2 3.78Å; L196-L227 HydrophobicContact CD2-CG 4.21Å; T199-L227 HydrophobicContact CG2-CD2 3.94Å; L223-L227 HydrophobicContact CD1-CG 4.47Å; L223-L227 HydrophobicContact CG-CD1 4.32Å; L223-L227 WeakPolarHBondContact O-CG 3.28Å; L223-L227 PolarHBondContact O-N 3.38Å; R224-L227 PolarHBondContact O-N 3Å; R225-L227 PolarHBondContact O-N 3.35Å; L227-A230 PolarHBondContact O-N 3.31Å; L227-E231 PolarHBondContact O-N 3.24Å |
| 228 | L | 93.4 | Very high | 90.5 | Very high | 50 Ų | 50 | 56 Ų | 56 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 175.3 | -67.2 | 171.3 | 0 | 0 | 0 | 111.6 | L3 V5 R224 R225 A230 E231 V232 | L3-L228 HydrophobicContact CD1-CD2 4.26Å; V5-L228 HydrophobicContact CG2-CD2 3.73Å; V5-L228 HydrophobicContact CG2-CG 3.77Å; R224-L228 HydrophobicContact CG-CD1 4.49Å; R224-L228 WeakPolarHBondContact O-CG 3.28Å; R224-L228 PolarHBondContact O-N 2.97Å; R225-L228 PolarHBondContact O-N 2.95Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-A230 PolarHBondContact O-N 3.48Å; L228-E231 PolarHBondContact O-N 3.13Å; L228-V232 WeakPolarHBondContact O-CG2 3.46Å; L228-V232 PolarHBondContact O-N 3.39Å |
| 229 | Y | 93.2 | Very high | 90 | Very high | 19 Ų | 19 | 59.8 Ų | 59.8 | 8% | 0.075 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -36.8 | 174.7 | -71.2 | -33.9 | 0 | 0 | 0 | 112.7 | I215 A218 R225 A226 V232 A233 V246 P249 | I215-Y229 HydrophobicContact CG2-CD2 4.39Å; A218-Y229 HydrophobicContact CB-CE2 4.32Å; R225-Y229 PolarHBondContact NH2-OH 3.17Å; R225-Y229 WeakPolarHBondContact O-CD2 3.37Å; R225-Y229 PolarHBondContact O-N 3.17Å; A226-Y229 PolarHBondContact O-N 3.31Å; Y229-V232 PolarHBondContact O-N 2.91Å; Y229-A233 VanDerWaalsContact O-CB 3.29Å; Y229-A233 WeakPolarHBondContact O-CB 3.14Å; Y229-A233 PolarHBondContact O-N 3.19Å; Y229-V246 HydrophobicContact CD1-CG1 4.33Å; Y229-V246 HydrophobicContact CD2-CG1 4.3Å; Y229-V246 HydrophobicContact CG-CG1 4.1Å; Y229-P249 HydrophobicContact CE1-CG 4.37Å; Y229-P249 WeakPolarHBondContact OH-CD 3.35Å |
| 230 | A | 91.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.8 | -37.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | W4 L196 I215 A226 L227 L228 A233 K234 | W4-A230 HydrophobicContact CE3-CB 4.34Å; W4-A230 HydrophobicContact CZ3-CB 3.98Å; L196-A230 HydrophobicContact CD2-CB 3.85Å; I215-A230 HydrophobicContact CD1-CB 4.28Å; A226-A230 PolarHBondContact O-N 2.85Å; L227-A230 PolarHBondContact O-N 3.31Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-A230 PolarHBondContact O-N 3.48Å; A230-A233 PolarHBondContact O-N 3.32Å; A230-K234 PolarHBondContact O-N 3.5Å |
| 231 | E | 90.4 | Very high | 89.1 | Confident | 28 Ų | 28 | 59.5 Ų | 59.5 | 13% | 0.131 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -45.9 | 173.4 | -170 | 167.3 | 176.2 | 0 | 0 | 111 | L3 W4 L227 L228 A233 K234 W235 | L3-E231 WeakPolarHBondContact CD2-OE1 3.27Å; W4-E231 HydrophobicContact CD2-CB 4.27Å; W4-E231 HydrophobicContact CD2-CG 4.49Å; W4-E231 HydrophobicContact CE3-CB 4.31Å; W4-E231 HydrophobicContact CG-CB 4.49Å; W4-E231 HydrophobicContact CG-CG 4.49Å; W4-E231 PolarHBondContact N-OE2 3.47Å; L227-E231 PolarHBondContact O-N 3.24Å; L228-E231 PolarHBondContact O-N 3.13Å; E231-A233 PolarHBondContact O-N 2.96Å; E231-K234 WeakPolarHBondContact O-CB 3.48Å; E231-K234 PolarHBondContact O-N 3.34Å; E231-W235 PolarHBondContact O-N 3.35Å; E231-W235 VanDerWaalsContact O-N 3.12Å |
| 232 | V | 91.3 | Very high | 88.6 | Confident | 64 Ų | 64 | 55.8 Ų | 55.8 | 39% | 0.388 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 174.8 | 170.8 | 0 | 0 | 0 | 0 | 112 | L228 Y229 K234 W235 Q236 Q247 | L228-V232 WeakPolarHBondContact O-CG2 3.46Å; L228-V232 PolarHBondContact O-N 3.39Å; Y229-V232 PolarHBondContact O-N 2.91Å; V232-K234 VanDerWaalsContact C-N 3.34Å; V232-K234 PolarHBondContact O-N 3.14Å; V232-W235 PolarHBondContact O-N 3.49Å; V232-W235 VanDerWaalsContact O-N 3.17Å; V232-Q236 VanDerWaalsContact CG1-NE2 3.3Å; V232-Q236 PolarHBondContact O-N 3.39Å; V232-Q236 VanDerWaalsContact O-N 3.17Å; V232-Q247 HydrophobicContact CG1-CB 4.4Å |
| 233 | A | 89.7 | Confident | 88.1 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 3% | 0.033 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | I215 Y229 A230 E231 W235 Q236 H237 M240 Q244 | I215-A233 HydrophobicContact CD1-CB 4.2Å; Y229-A233 VanDerWaalsContact O-CB 3.29Å; Y229-A233 WeakPolarHBondContact O-CB 3.14Å; Y229-A233 PolarHBondContact O-N 3.19Å; A230-A233 PolarHBondContact O-N 3.32Å; E231-A233 PolarHBondContact O-N 2.96Å; A233-W235 VanDerWaalsContact C-N 3.34Å; A233-Q236 PolarHBondContact O-N 2.76Å; A233-H237 PolarHBondContact O-N 2.77Å; A233-M240 HydrophobicContact CB-CE 3.62Å; A233-Q244 PolarHBondContact O-NE2 2.98Å |
| 234 | K | 88.1 | Confident | 87.5 | Confident | 45 Ų | 45 | 60.5 Ų | 60.5 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 171.9 | 170.5 | -176.8 | 170.6 | -171 | 0 | 111.8 | W4 E203 A230 E231 V232 Q236 H237 M240 | W4-K234 HydrophobicContact CH2-CB 4.29Å; W4-K234 HydrophobicContact CH2-CD 3.76Å; W4-K234 HydrophobicContact CZ2-CD 3.36Å; E203-K234 IonicContact OE2-NZ 3.79Å; A230-K234 PolarHBondContact O-N 3.5Å; E231-K234 WeakPolarHBondContact O-CB 3.48Å; E231-K234 PolarHBondContact O-N 3.34Å; V232-K234 VanDerWaalsContact C-N 3.34Å; V232-K234 PolarHBondContact O-N 3.14Å; K234-Q236 VanDerWaalsContact C-N 3.32Å; K234-Q236 PolarHBondContact O-N 2.97Å; K234-H237 CarbonylContact O-C 3.6Å; K234-M240 HydrophobicContact CB-SD 4.37Å |
| 235 | W | 87 | Confident | 87.1 | Confident | 185 Ų | 185 | 57.3 Ų | 57.3 | 70% | 0.701 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65.8 | -33.1 | -178.6 | -81.8 | 112.3 | 0 | 0 | 0 | 113.3 | E231 V232 A233 | E231-W235 PolarHBondContact O-N 3.35Å; E231-W235 VanDerWaalsContact O-N 3.12Å; V232-W235 PolarHBondContact O-N 3.49Å; V232-W235 VanDerWaalsContact O-N 3.17Å; A233-W235 VanDerWaalsContact C-N 3.34Å |
| 236 | Q | 85.8 | Confident | 86.7 | Confident | 68 Ų | 68 | 56.2 Ų | 56.2 | 32% | 0.318 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.3 | -46.5 | 178.5 | -74 | 161 | 12.8 | 0 | 0 | 112.9 | V232 A233 K234 | V232-Q236 VanDerWaalsContact CG1-NE2 3.3Å; V232-Q236 PolarHBondContact O-N 3.39Å; V232-Q236 VanDerWaalsContact O-N 3.17Å; A233-Q236 PolarHBondContact O-N 2.76Å; K234-Q236 VanDerWaalsContact C-N 3.32Å; K234-Q236 PolarHBondContact O-N 2.97Å |
| 237 | H | 80.5 | Confident | 86.3 | Confident | 98 Ų | 98 | 61.1 Ų | 61.1 | 45% | 0.454 | 32% | 0.323 | S | S | . | . | trans | -141.7 | 124.4 | -175.5 | -64.9 | -65.9 | 0 | 0 | 0 | 111.1 | A233 K234 P239 M240 | A233-H237 PolarHBondContact O-N 2.77Å; K234-H237 CarbonylContact O-C 3.6Å; H237-P239 CarbonylContact O-C 3.55Å; H237-M240 PolarHBondContact O-N 2.87Å | ||
| 238 | C | 75.8 | Confident | 86.1 | Confident | 92 Ų | 92 | 63.3 Ų | 63.3 | 62% | 0.622 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -125.9 | 115 | 171.3 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | ||
| 239 | P | 82 | Confident | 85.9 | Confident | 105 Ų | 105 | 62.6 Ų | 62.6 | 68% | 0.682 | 33% | 0.333 | S | S | * | . | S | Bend | cis | -74.1 | 151.6 | 1.3 | 31.1 | -35 | 0 | 0 | 0 | 113.5 | H237 L241 | H237-P239 CarbonylContact O-C 3.55Å; P239-L241 PolarHBondContact O-N 3.35Å |
| 240 | M | 80.9 | Confident | 85.9 | Confident | 15 Ų | 15 | 68.5 Ų | 68.5 | 7% | 0.074 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 127 | -179.8 | -60.3 | 171.4 | 81.1 | 0 | 0 | 110.4 | M207 P208 L211 A233 K234 H237 | M207-M240 HydrophobicContact CB-SD 4.05Å; M207-M240 HydrophobicContact CG-CE 3.78Å; M207-M240 HydrophobicContact CG-SD 3.93Å; M207-M240 HydrophobicContact SD-CE 3.96Å; P208-M240 VanDerWaalsContact CG-O 3.31Å; P208-M240 WeakPolarHBondContact CG-O 3.44Å; L211-M240 HydrophobicContact CD2-CB 3.94Å; L211-M240 HydrophobicContact CD2-CE 3.58Å; A233-M240 HydrophobicContact CB-CE 3.62Å; K234-M240 HydrophobicContact CB-SD 4.37Å; H237-M240 PolarHBondContact O-N 2.87Å |
| 241 | L | 84.6 | Confident | 86 | Confident | 94 Ų | 94 | 72 Ų | 72 | 49% | 0.492 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 148.1 | -179.8 | -66.5 | 170.6 | 0 | 0 | 0 | 111 | P239 D243 Q244 | P239-L241 PolarHBondContact O-N 3.35Å; L241-D243 PolarHBondContact O-N 3.31Å; L241-Q244 PolarHBondContact O-N 3.48Å |
| 242 | P | 83.1 | Confident | 86.1 | Confident | 52 Ų | 52 | 72.4 Ų | 72.4 | 34% | 0.338 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -33.7 | 176.4 | 25.1 | -33 | 0 | 0 | 0 | 111.9 | P208 E210 R214 | P208-P242 HydrophobicContact CB-CB 4.1Å; P208-P242 HydrophobicContact CG-CB 4.47Å; E210-P242 HydrophobicContact CB-CB 4.33Å; R214-P242 PolarHBondContact NH1-O 3.03Å; R214-P242 PolarHBondContact NH2-O 3.19Å |
| 243 | D | 83.7 | Confident | 86.2 | Confident | 130 Ų | 130 | 72.2 Ų | 72.2 | 70% | 0.695 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 6.9 | -175.2 | -70.9 | -37.9 | 0 | 0 | 0 | 116.4 | R214 L241 | R214-D243 IonicContact CZ-OD1 3.82Å; R214-D243 VanDerWaalsContact NH1-CA 3.35Å; R214-D243 PolarHBondContact NH1-O 2.87Å; R214-D243 IonicContact NH2-OD1 3.75Å; R214-D243 PolarHBondContact NH2-OD1 3.36Å; L241-D243 PolarHBondContact O-N 3.31Å |
| 244 | Q | 82.3 | Confident | 86.5 | Confident | 12 Ų | 12 | 73.5 Ų | 73.5 | 6% | 0.056 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 138.7 | 177 | -175.1 | 176.2 | -9.1 | 0 | 0 | 112.5 | L211 R214 A233 L241 | L211-Q244 HydrophobicContact CD1-CB 4.15Å; L211-Q244 HydrophobicContact CD2-CB 4.34Å; R214-Q244 PolarHBondContact NH1-O 3.29Å; A233-Q244 PolarHBondContact O-NE2 2.98Å; L241-Q244 PolarHBondContact O-N 3.48Å |
| 245 | S | 83.9 | Confident | 86.8 | Confident | 74 Ų | 74 | 71.4 Ų | 71.4 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 141.6 | 173.1 | 57.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 246 | V | 86.2 | Confident | 87.1 | Confident | 30 Ų | 30 | 65.3 Ų | 65.3 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -81.2 | 122.3 | 174.7 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | L211 R214 I215 A218 Y229 L248 | L211-V246 HydrophobicContact CD1-CG2 4.45Å; R214-V246 HydrophobicContact CB-CG2 4.04Å; I215-V246 HydrophobicContact CG1-CG1 4.5Å; I215-V246 HydrophobicContact CG1-CG2 3.69Å; A218-V246 HydrophobicContact CB-CG1 4.12Å; Y229-V246 HydrophobicContact CD1-CG1 4.33Å; Y229-V246 HydrophobicContact CD2-CG1 4.3Å; Y229-V246 HydrophobicContact CG-CG1 4.1Å; V246-L248 PolarHBondContact O-N 2.84Å |
| 247 | Q | 85.9 | Confident | 87.6 | Confident | 104 Ų | 104 | 66.8 Ų | 66.8 | 49% | 0.486 | 37% | 0.365 | S | S | . | . | trans | -74.2 | 115.8 | 172.3 | -64.5 | -60.9 | -54.3 | 0 | 0 | 109.3 | V232 | V232-Q247 HydrophobicContact CG1-CB 4.4Š| ||
| 248 | L | 88.5 | Confident | 88.2 | Confident | 60 Ų | 60 | 62.1 Ų | 62.1 | 31% | 0.314 | 34% | 0.344 | S | S | . | . | trans | -79 | 157.9 | 173.2 | -61.7 | 177.5 | 0 | 0 | 0 | 109.6 | A218 V246 V253 | A218-L248 HydrophobicContact CB-CD2 4.17Å; V246-L248 PolarHBondContact O-N 2.84Å; L248-V253 HydrophobicContact CB-CG2 4.14Å | ||
| 249 | P | 90.8 | Very high | 89.1 | Confident | 36 Ų | 36 | 57.9 Ų | 57.9 | 23% | 0.234 | 32% | 0.315 | C | S | . | . | trans | -59 | 142 | 173.7 | -22.6 | 34 | 0 | 0 | 0 | 111.1 | Y229 W251 Q252 V253 | Y229-P249 HydrophobicContact CE1-CG 4.37Å; Y229-P249 WeakPolarHBondContact OH-CD 3.35Å; P249-W251 VanDerWaalsContact CB-CD1 3.48Å; P249-W251 HydrophobicContact CB-CG 4.32Å; P249-W251 VanDerWaalsContact CB-NE1 3.3Å; P249-W251 PolarHBondContact O-N 3.38Å; P249-W251 VanDerWaalsContact O-N 3.14Å; P249-Q252 HydrophobicContact CB-CB 4.5Å; P249-Q252 WeakPolarHBondContact O-CA 3.43Å; P249-Q252 WeakPolarHBondContact O-CB 3.43Å; P249-Q252 PolarHBondContact O-N 3.47Å; P249-V253 PolarHBondContact O-N 2.93Å | ||
| 250 | D | 92 | Very high | 89.7 | Confident | 142 Ų | 142 | 56 Ų | 56 | 76% | 0.759 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -53.9 | -40.2 | -176.7 | -56.2 | -26.6 | 0 | 0 | 0 | 112.4 | Q252 V253 F254 | D250-Q252 VanDerWaalsContact C-N 3.25Å; D250-Q252 PolarHBondContact O-N 3.19Å; D250-V253 PolarHBondContact O-N 3.25Å; D250-F254 VanDerWaalsContact O-CB 3.3Å; D250-F254 WeakPolarHBondContact O-CB 3.3Å; D250-F254 PolarHBondContact O-N 3.28Å |
| 251 | W | 93.9 | Very high | 90.4 | Very high | 75 Ų | 75 | 56.1 Ų | 56.1 | 28% | 0.284 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.7 | -31.6 | 177.4 | 70.2 | -95.9 | 0 | 0 | 0 | 113.7 | P249 L255 L281 I286 I290 | P249-W251 VanDerWaalsContact CB-CD1 3.48Å; P249-W251 HydrophobicContact CB-CG 4.32Å; P249-W251 VanDerWaalsContact CB-NE1 3.3Å; P249-W251 PolarHBondContact O-N 3.38Å; P249-W251 VanDerWaalsContact O-N 3.14Å; W251-L255 HydrophobicContact CE3-CD1 3.49Å; W251-L255 VanDerWaalsContact CE3-CD1 3.49Å; W251-L255 HydrophobicContact CE3-CG 4.33Å; W251-L255 HydrophobicContact CZ3-CD1 3.48Å; W251-L255 VanDerWaalsContact CZ3-CD1 3.48Å; W251-L255 WeakPolarHBondContact O-CB 3.28Å; W251-L255 VanDerWaalsContact O-CG 3.29Å; W251-L255 WeakPolarHBondContact O-CG 3.48Å; W251-L255 PolarHBondContact O-N 3.48Å; W251-L281 HydrophobicContact CB-CD2 4.1Å; W251-I286 HydrophobicContact CB-CD1 3.33Å; W251-I286 HydrophobicContact CB-CG1 4.44Å; W251-I286 HydrophobicContact CG-CD1 3.92Å; W251-I290 HydrophobicContact CH2-CG2 3.53Å; W251-I290 HydrophobicContact CZ2-CG2 4.3Å; W251-I290 HydrophobicContact CZ3-CG2 3.63Å |
| 252 | Q | 92 | Very high | 90.8 | Very high | 36 Ų | 36 | 51.7 Ų | 51.7 | 17% | 0.168 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -75.3 | -41.3 | 179.2 | -172.8 | 167.6 | 4.2 | 0 | 0 | 110.3 | P249 D250 F254 L255 T256 | P249-Q252 HydrophobicContact CB-CB 4.5Å; P249-Q252 WeakPolarHBondContact O-CA 3.43Å; P249-Q252 WeakPolarHBondContact O-CB 3.43Å; P249-Q252 PolarHBondContact O-N 3.47Å; D250-Q252 VanDerWaalsContact C-N 3.25Å; D250-Q252 PolarHBondContact O-N 3.19Å; Q252-F254 VanDerWaalsContact C-N 3.33Å; Q252-L255 WeakPolarHBondContact O-CB 3.42Å; Q252-L255 PolarHBondContact O-N 3.36Å; Q252-T256 PolarHBondContact O-N 2.86Å; Q252-T256 PolarHBondContact O-OG1 3.03Å |
| 253 | V | 93.3 | Very high | 91.2 | Very high | 60 Ų | 60 | 50.6 Ų | 50.6 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 171.9 | -179.7 | 0 | 0 | 0 | 0 | 110 | L248 P249 D250 L255 T256 E257 | L248-V253 HydrophobicContact CB-CG2 4.14Å; P249-V253 PolarHBondContact O-N 2.93Å; D250-V253 PolarHBondContact O-N 3.25Å; V253-L255 VanDerWaalsContact C-N 3.29Å; V253-L255 PolarHBondContact O-N 3.36Å; V253-T256 PolarHBondContact O-N 3Å; V253-T256 VanDerWaalsContact O-N 3.09Å; V253-E257 WeakPolarHBondContact O-CG 3.46Å; V253-E257 PolarHBondContact O-N 3.04Å |
| 254 | F | 95.4 | Very high | 91.6 | Very high | 31 Ų | 31 | 48.3 Ų | 48.3 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.1 | -37.2 | 177.6 | -171.2 | -91.1 | 0 | 0 | 0 | 112.7 | D250 Q252 T258 R277 E280 L281 | D250-F254 VanDerWaalsContact O-CB 3.3Å; D250-F254 WeakPolarHBondContact O-CB 3.3Å; D250-F254 PolarHBondContact O-N 3.28Å; Q252-F254 VanDerWaalsContact C-N 3.33Å; F254-T258 WeakPolarHBondContact O-CB 3.5Å; F254-T258 PolarHBondContact O-N 3.37Å; F254-T258 PolarHBondContact O-OG1 3.28Å; F254-R277 VanDerWaalsContact CD2-NH2 3.29Å; F254-R277 HydrophobicContact CE1-CB 3.64Å; F254-R277 HydrophobicContact CE1-CG 4.24Å; F254-R277 WeakPolarHBondContact CE1-O 3.29Å; F254-R277 VanDerWaalsContact CE2-CZ 3.44Å; F254-R277 HydrophobicContact CZ-CB 3.61Å; F254-R277 HydrophobicContact CZ-CG 3.74Å; F254-R277 PolarHBondContact O-NH2 3.36Å; F254-E280 HydrophobicContact CZ-CB 4.39Å; F254-E280 WeakPolarHBondContact CZ-OE2 3.27Å; F254-L281 HydrophobicContact CD1-CD1 3.9Å; F254-L281 HydrophobicContact CD1-CD2 3.64Å; F254-L281 HydrophobicContact CD1-CG 3.71Å; F254-L281 HydrophobicContact CE1-CD1 4.05Å; F254-L281 HydrophobicContact CE1-CD2 4.18Å; F254-L281 HydrophobicContact CE1-CG 3.77Å; F254-L281 HydrophobicContact CG-CD2 4.44Å |
| 255 | L | 94.6 | Very high | 92 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 173.1 | -81.1 | 178.5 | 0 | 0 | 0 | 112.6 | W251 Q252 V253 T258 A259 L281 I291 L295 | W251-L255 HydrophobicContact CE3-CD1 3.49Å; W251-L255 VanDerWaalsContact CE3-CD1 3.49Å; W251-L255 HydrophobicContact CE3-CG 4.33Å; W251-L255 HydrophobicContact CZ3-CD1 3.48Å; W251-L255 VanDerWaalsContact CZ3-CD1 3.48Å; W251-L255 WeakPolarHBondContact O-CB 3.28Å; W251-L255 VanDerWaalsContact O-CG 3.29Å; W251-L255 WeakPolarHBondContact O-CG 3.48Å; W251-L255 PolarHBondContact O-N 3.48Å; Q252-L255 WeakPolarHBondContact O-CB 3.42Å; Q252-L255 PolarHBondContact O-N 3.36Å; V253-L255 VanDerWaalsContact C-N 3.29Å; V253-L255 PolarHBondContact O-N 3.36Å; L255-T258 WeakPolarHBondContact O-CB 3.45Å; L255-T258 PolarHBondContact O-N 2.93Å; L255-A259 WeakPolarHBondContact O-CB 3.27Å; L255-A259 PolarHBondContact O-N 3.46Å; L255-L281 HydrophobicContact CD2-CD1 3.44Å; L255-L281 VanDerWaalsContact CD2-CD1 3.44Å; L255-L281 HydrophobicContact CG-CD1 4.05Å; L255-I291 HydrophobicContact CD2-CG2 4.13Å; L255-L295 HydrophobicContact CD2-CD2 3.8Å; L255-L295 HydrophobicContact CD2-CG 3.91Å |
| 256 | T | 94.1 | Very high | 92.2 | Very high | 56 Ų | 56 | 50.7 Ų | 50.7 | 34% | 0.344 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 176.3 | -60.7 | 0 | 0 | 0 | 0 | 110.8 | Q252 V253 T258 A259 S260 N298 | Q252-T256 PolarHBondContact O-N 2.86Å; Q252-T256 PolarHBondContact O-OG1 3.03Å; V253-T256 PolarHBondContact O-N 3Å; V253-T256 VanDerWaalsContact O-N 3.09Å; T256-T258 VanDerWaalsContact C-N 3.31Å; T256-T258 PolarHBondContact O-N 3.48Å; T256-A259 PolarHBondContact O-N 3.17Å; T256-S260 PolarHBondContact O-N 3Å; T256-S260 PolarHBondContact O-OG 3.05Å; T256-S260 VanDerWaalsContact O-OG 3.14Å; T256-N298 PolarHBondContact OG1-OD1 3.01Å |
| 257 | E | 95.3 | Very high | 92.5 | Very high | 99 Ų | 99 | 50.3 Ų | 50.3 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.4 | -41.4 | 172.8 | -70.8 | 172.5 | -177.2 | 0 | 0 | 112.4 | V253 A259 S260 A261 R277 | V253-E257 WeakPolarHBondContact O-CG 3.46Å; V253-E257 PolarHBondContact O-N 3.04Å; E257-A259 VanDerWaalsContact C-N 3.34Å; E257-S260 PolarHBondContact O-N 3.49Å; E257-A261 WeakPolarHBondContact O-CB 3.29Å; E257-A261 PolarHBondContact O-N 3.04Å; E257-R277 IonicContact OE2-CZ 2.77Å; E257-R277 IonicContact OE2-NH2 2.84Å; E257-R277 PolarHBondContact OE2-NH2 3.45Å |
| 258 | T | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 177 | -55.4 | 0 | 0 | 0 | 0 | 110.6 | F254 L255 T256 A261 I262 V274 R277 L295 | F254-T258 WeakPolarHBondContact O-CB 3.5Å; F254-T258 PolarHBondContact O-N 3.37Å; F254-T258 PolarHBondContact O-OG1 3.28Å; L255-T258 WeakPolarHBondContact O-CB 3.45Å; L255-T258 PolarHBondContact O-N 2.93Å; T256-T258 VanDerWaalsContact C-N 3.31Å; T256-T258 PolarHBondContact O-N 3.48Å; T258-A261 WeakPolarHBondContact O-CB 3.3Å; T258-A261 PolarHBondContact O-N 3.3Å; T258-I262 HydrophobicContact CG2-CD1 4.32Å; T258-I262 VanDerWaalsContact O-CG1 3.27Å; T258-I262 WeakPolarHBondContact O-CG1 3.35Å; T258-I262 PolarHBondContact O-N 3.05Å; T258-V274 HydrophobicContact CG2-CG1 3.84Å; T258-R277 HydrophobicContact CG2-CB 4.45Å; T258-R277 PolarHBondContact OG1-NE 3.46Å; T258-R277 PolarHBondContact OG1-NH2 3.17Å; T258-L295 HydrophobicContact CG2-CD2 4.31Å |
| 259 | A | 94.5 | Very high | 93.1 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 3% | 0.025 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L255 T256 E257 A261 I262 L263 N298 L299 | L255-A259 WeakPolarHBondContact O-CB 3.27Å; L255-A259 PolarHBondContact O-N 3.46Å; T256-A259 PolarHBondContact O-N 3.17Å; E257-A259 VanDerWaalsContact C-N 3.34Å; A259-A261 VanDerWaalsContact C-N 3.3Å; A259-A261 PolarHBondContact O-N 3.31Å; A259-I262 PolarHBondContact O-N 3.47Å; A259-L263 WeakPolarHBondContact O-CG 3.42Å; A259-L263 PolarHBondContact O-N 3.12Å; A259-L263 VanDerWaalsContact O-N 3.12Å; A259-N298 HydrophobicContact CB-CB 3.6Å; A259-L299 HydrophobicContact CB-CD2 3.98Å; A259-L299 HydrophobicContact CB-CG 4.28Å |
| 260 | S | 94.5 | Very high | 93.2 | Very high | 67 Ų | 67 | 55.9 Ų | 55.9 | 47% | 0.469 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 173 | -58.4 | 0 | 0 | 0 | 0 | 112 | T256 E257 I262 L263 A264 | T256-S260 PolarHBondContact O-N 3Å; T256-S260 PolarHBondContact O-OG 3.05Å; T256-S260 VanDerWaalsContact O-OG 3.14Å; E257-S260 PolarHBondContact O-N 3.49Å; S260-I262 VanDerWaalsContact C-N 3.34Å; S260-I262 PolarHBondContact O-N 2.99Å; S260-L263 PolarHBondContact O-N 3.46Å; S260-A264 WeakPolarHBondContact O-CB 3.33Å; S260-A264 PolarHBondContact O-N 3.39Å |
| 261 | A | 93.9 | Very high | 93.4 | Very high | 16 Ų | 16 | 50.6 Ų | 50.6 | 13% | 0.132 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.8 | -34.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | E257 T258 A259 K270 | E257-A261 WeakPolarHBondContact O-CB 3.29Å; E257-A261 PolarHBondContact O-N 3.04Å; T258-A261 WeakPolarHBondContact O-CB 3.3Å; T258-A261 PolarHBondContact O-N 3.3Å; A259-A261 VanDerWaalsContact C-N 3.3Å; A259-A261 PolarHBondContact O-N 3.31Å; A261-K270 WeakPolarHBondContact O-CE 3.39Å |
| 262 | I | 94 | Very high | 93.4 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.3 | -38.7 | 174.4 | -67.3 | 165.9 | 0 | 0 | 0 | 111.2 | T258 A259 S260 Q266 V274 L295 L299 V336 F339 M340 | T258-I262 HydrophobicContact CG2-CD1 4.32Å; T258-I262 VanDerWaalsContact O-CG1 3.27Å; T258-I262 WeakPolarHBondContact O-CG1 3.35Å; T258-I262 PolarHBondContact O-N 3.05Å; A259-I262 PolarHBondContact O-N 3.47Å; S260-I262 VanDerWaalsContact C-N 3.34Å; S260-I262 PolarHBondContact O-N 2.99Å; I262-Q266 PolarHBondContact O-NE2 3.01Å; I262-V274 HydrophobicContact CD1-CG1 4.11Å; I262-V274 HydrophobicContact CG1-CG1 4.05Å; I262-V274 HydrophobicContact CG1-CG2 3.97Å; I262-L295 HydrophobicContact CD1-CD2 4.39Å; I262-L299 HydrophobicContact CB-CD2 4.44Å; I262-L299 HydrophobicContact CG2-CD2 4.28Å; I262-V336 HydrophobicContact CD1-CG1 4.1Å; I262-V336 HydrophobicContact CD1-CG2 3.99Å; I262-V336 HydrophobicContact CG1-CG1 4.12Å; I262-F339 HydrophobicContact CG2-CD1 3.6Å; I262-F339 HydrophobicContact CG2-CE1 3.75Å; I262-M340 HydrophobicContact CB-CE 4.05Å; I262-M340 HydrophobicContact CG1-CE 4Å; I262-M340 HydrophobicContact CG2-CE 3.9Å; I262-M340 HydrophobicContact CG2-CG 3.91Å |
| 263 | L | 91.7 | Very high | 93.5 | Very high | 29 Ų | 29 | 54.6 Ų | 54.6 | 15% | 0.152 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -75.4 | -30 | 179 | -66.9 | 168.9 | 0 | 0 | 0 | 112.7 | A259 S260 Q266 L299 F339 Y343 | A259-L263 WeakPolarHBondContact O-CG 3.42Å; A259-L263 PolarHBondContact O-N 3.12Å; A259-L263 VanDerWaalsContact O-N 3.12Å; S260-L263 PolarHBondContact O-N 3.46Å; L263-Q266 PolarHBondContact O-NE2 3.42Å; L263-L299 HydrophobicContact CD1-CD2 4.22Å; L263-L299 HydrophobicContact CD2-CD2 4.14Å; L263-L299 HydrophobicContact CG-CD2 3.93Å; L263-F339 HydrophobicContact CD2-CE1 4.04Å; L263-F339 HydrophobicContact CD2-CZ 4.02Å; L263-Y343 HydrophobicContact CD2-CD1 4.35Å; L263-Y343 HydrophobicContact CD2-CD2 4.34Å; L263-Y343 HydrophobicContact CD2-CE1 3.9Å; L263-Y343 HydrophobicContact CD2-CE2 3.93Å |
| 264 | A | 91.5 | Very high | 93.6 | Very high | 82 Ų | 82 | 51.8 Ų | 51.8 | 68% | 0.678 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -68.7 | -41.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S260 | S260-A264 WeakPolarHBondContact O-CB 3.33Å; S260-A264 PolarHBondContact O-N 3.39Å |
| 265 | E | 90.7 | Very high | 93.6 | Very high | 95 Ų | 95 | 53.4 Ų | 53.4 | 44% | 0.444 | 29% | 0.288 | S | S | . | . | trans | -147.5 | 128 | -176.7 | -171.3 | -172.9 | 163.3 | 0 | 0 | 111.9 | S267 K270 | E265-S267 VanDerWaalsContact CD-OG 3.3Å; E265-S267 WeakPolarHBondContact OE1-CB 3.47Å; E265-S267 PolarHBondContact OE1-OG 3.4Å; E265-K270 HydrophobicContact CB-CB 4.37Å; E265-K270 HydrophobicContact CB-CG 4.22Å; E265-K270 HydrophobicContact CG-CB 4.45Å; E265-K270 WeakPolarHBondContact O-CG 3.21Å | ||
| 266 | Q | 89.3 | Confident | 93.7 | Very high | 42 Ų | 42 | 58 Ų | 58 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | trans | -103.3 | 45.4 | 179.2 | -60.3 | 73.5 | 44 | 0 | 0 | 111.8 | I262 L263 M340 Y343 K344 | I262-Q266 PolarHBondContact O-NE2 3.01Å; L263-Q266 PolarHBondContact O-NE2 3.42Å; Q266-M340 HydrophobicContact CB-CB 4.19Å; Q266-M340 HydrophobicContact CB-CG 4.49Å; Q266-M340 HydrophobicContact CG-CB 4.12Å; Q266-M340 HydrophobicContact CG-CG 4.21Å; Q266-Y343 HydrophobicContact CG-CD1 4.08Å; Q266-K344 HydrophobicContact CB-CB 4.09Å; Q266-K344 HydrophobicContact CB-CG 4.49Å; Q266-K344 HydrophobicContact CG-CB 4.31Å | ||
| 267 | S | 92 | Very high | 93.8 | Very high | 22 Ų | 22 | 57.7 Ų | 57.7 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | trans | -98.6 | 154.9 | 179.7 | 81.4 | 0 | 0 | 0 | 0 | 113 | E265 K269 K270 I271 | E265-S267 VanDerWaalsContact CD-OG 3.3Å; E265-S267 WeakPolarHBondContact OE1-CB 3.47Å; E265-S267 PolarHBondContact OE1-OG 3.4Å; S267-K269 PolarHBondContact O-N 2.95Å; S267-K270 PolarHBondContact O-N 3.27Å; S267-K270 PolarHBondContact OG-N 3.29Å; S267-I271 PolarHBondContact O-N 2.84Å; S267-I271 VanDerWaalsContact O-N 3.08Å | ||
| 268 | P | 92.3 | Very high | 93.8 | Very high | 109 Ų | 109 | 53 Ų | 53 | 71% | 0.708 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -57.5 | -31.9 | 173.6 | -25.8 | 35.1 | 0 | 0 | 0 | 113.9 | I271 L272 | P268-I271 PolarHBondContact O-N 3.2Å; P268-L272 PolarHBondContact O-N 2.85Å |
| 269 | K | 94.3 | Very high | 93.8 | Very high | 178 Ų | 178 | 57.4 Ų | 57.4 | 77% | 0.774 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66 | -42.5 | 175.5 | -68.5 | -177.2 | 179.2 | 178.2 | 0 | 110.7 | S267 I271 L272 E273 | S267-K269 PolarHBondContact O-N 2.95Å; K269-I271 VanDerWaalsContact C-N 3.35Å; K269-I271 PolarHBondContact O-N 3.14Å; K269-L272 WeakPolarHBondContact O-CB 3.26Å; K269-L272 PolarHBondContact O-N 3.2Å; K269-E273 PolarHBondContact O-N 3.49Å |
| 270 | K | 93.8 | Very high | 93.8 | Very high | 29 Ų | 29 | 61.7 Ų | 61.7 | 13% | 0.126 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.4 | -36.5 | 178.3 | -162.9 | 68 | -178.3 | 171.7 | 0 | 112.5 | A261 E265 S267 L272 E273 V274 M340 | A261-K270 WeakPolarHBondContact O-CE 3.39Å; E265-K270 HydrophobicContact CB-CB 4.37Å; E265-K270 HydrophobicContact CB-CG 4.22Å; E265-K270 HydrophobicContact CG-CB 4.45Å; E265-K270 WeakPolarHBondContact O-CG 3.21Å; S267-K270 PolarHBondContact O-N 3.27Å; S267-K270 PolarHBondContact OG-N 3.29Å; K270-L272 VanDerWaalsContact C-N 3.27Å; K270-L272 PolarHBondContact O-N 2.85Å; K270-E273 WeakPolarHBondContact CD-OE2 3.26Å; K270-E273 IonicContact NZ-OE1 3.23Å; K270-E273 PolarHBondContact NZ-OE1 3.13Å; K270-E273 IonicContact NZ-OE2 3.72Å; K270-E273 PolarHBondContact NZ-OE2 3.5Å; K270-E273 WeakPolarHBondContact O-CB 3.47Å; K270-E273 PolarHBondContact O-N 3.2Å; K270-E273 VanDerWaalsContact O-N 3.16Å; K270-V274 HydrophobicContact CG-CG2 4.43Å; K270-V274 VanDerWaalsContact O-CG2 3.3Å; K270-V274 WeakPolarHBondContact O-CG2 3.36Å; K270-V274 PolarHBondContact O-N 3.38Å; K270-M340 HydrophobicContact CG-CE 4.35Å |
| 271 | I | 94.6 | Very high | 93.9 | Very high | 32 Ų | 32 | 58.7 Ų | 58.7 | 16% | 0.164 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.7 | -43.7 | 173.4 | -68.6 | 163.7 | 0 | 0 | 0 | 111 | S267 P268 K269 E273 V274 R275 I337 M340 | S267-I271 PolarHBondContact O-N 2.84Å; S267-I271 VanDerWaalsContact O-N 3.08Å; P268-I271 PolarHBondContact O-N 3.2Å; K269-I271 VanDerWaalsContact C-N 3.35Å; K269-I271 PolarHBondContact O-N 3.14Å; I271-E273 PolarHBondContact O-N 3.49Å; I271-V274 PolarHBondContact O-N 3.13Å; I271-R275 WeakPolarHBondContact O-CB 3.41Å; I271-R275 PolarHBondContact O-N 2.89Å; I271-I337 HydrophobicContact CD1-CG1 4.04Å; I271-I337 HydrophobicContact CG1-CG1 4.35Å; I271-I337 HydrophobicContact CG2-CD1 4.05Å; I271-I337 HydrophobicContact CG2-CG1 3.72Å; I271-M340 HydrophobicContact CD1-SD 3.96Å; I271-M340 HydrophobicContact CG1-CE 4.29Å; I271-M340 HydrophobicContact CG1-SD 3.29Å; I271-M340 WeakPolarHBondContact CG1-SD 3.43Å |
| 272 | L | 94.3 | Very high | 93.9 | Very high | 104 Ų | 104 | 59.8 Ų | 59.8 | 55% | 0.545 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 179 | -171.3 | 65.9 | 0 | 0 | 0 | 112.3 | P268 K269 K270 R275 N276 | P268-L272 PolarHBondContact O-N 2.85Å; K269-L272 WeakPolarHBondContact O-CB 3.26Å; K269-L272 PolarHBondContact O-N 3.2Å; K270-L272 VanDerWaalsContact C-N 3.27Å; K270-L272 PolarHBondContact O-N 2.85Å; L272-R275 PolarHBondContact O-N 3.02Å; L272-N276 PolarHBondContact O-N 3.47Å; L272-N276 PolarHBondContact O-ND2 3.18Å |
| 273 | E | 95.1 | Very high | 93.9 | Very high | 90 Ų | 90 | 64.4 Ų | 64.4 | 42% | 0.421 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65 | -47.1 | 174.4 | -169.3 | -166.8 | 143 | 0 | 0 | 111.5 | K269 K270 I271 R275 N276 R277 | K269-E273 PolarHBondContact O-N 3.49Å; K270-E273 WeakPolarHBondContact CD-OE2 3.26Å; K270-E273 IonicContact NZ-OE1 3.23Å; K270-E273 PolarHBondContact NZ-OE1 3.13Å; K270-E273 IonicContact NZ-OE2 3.72Å; K270-E273 PolarHBondContact NZ-OE2 3.5Å; K270-E273 WeakPolarHBondContact O-CB 3.47Å; K270-E273 PolarHBondContact O-N 3.2Å; K270-E273 VanDerWaalsContact O-N 3.16Å; I271-E273 PolarHBondContact O-N 3.49Å; E273-R275 VanDerWaalsContact C-N 3.3Å; E273-R275 PolarHBondContact O-N 3.14Å; E273-N276 WeakPolarHBondContact O-CB 3.36Å; E273-N276 PolarHBondContact O-N 3.32Å; E273-N276 VanDerWaalsContact O-N 3.13Å; E273-R277 PolarHBondContact O-N 2.98Å; E273-R277 VanDerWaalsContact O-N 3.13Å |
| 274 | V | 95.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 177.2 | 175.2 | 0 | 0 | 0 | 0 | 111 | T258 I262 K270 I271 N276 R277 L278 V336 M340 | T258-V274 HydrophobicContact CG2-CG1 3.84Å; I262-V274 HydrophobicContact CD1-CG1 4.11Å; I262-V274 HydrophobicContact CG1-CG1 4.05Å; I262-V274 HydrophobicContact CG1-CG2 3.97Å; K270-V274 HydrophobicContact CG-CG2 4.43Å; K270-V274 VanDerWaalsContact O-CG2 3.3Å; K270-V274 WeakPolarHBondContact O-CG2 3.36Å; K270-V274 PolarHBondContact O-N 3.38Å; I271-V274 PolarHBondContact O-N 3.13Å; V274-N276 VanDerWaalsContact C-N 3.31Å; V274-N276 PolarHBondContact O-N 3.28Å; V274-R277 WeakPolarHBondContact O-CB 3.46Å; V274-R277 PolarHBondContact O-N 3.25Å; V274-R277 VanDerWaalsContact O-N 3.14Å; V274-L278 HydrophobicContact CG1-CD1 4.26Å; V274-L278 HydrophobicContact CG1-CG 4.33Å; V274-L278 WeakPolarHBondContact O-CG 3.47Å; V274-L278 PolarHBondContact O-N 3.27Å; V274-V336 HydrophobicContact CG1-CG1 3.98Å; V274-V336 HydrophobicContact CG1-CG2 4.2Å; V274-M340 HydrophobicContact CG2-CE 4.27Å |
| 275 | R | 95.3 | Very high | 94.1 | Very high | 66 Ų | 66 | 70.5 Ų | 70.5 | 25% | 0.249 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.5 | -43.9 | 173.8 | 176.6 | -173.6 | 172.4 | 126.8 | 3.7 | 111.9 | I271 L272 E273 R277 L278 Y279 E333 | I271-R275 WeakPolarHBondContact O-CB 3.41Å; I271-R275 PolarHBondContact O-N 2.89Å; L272-R275 PolarHBondContact O-N 3.02Å; E273-R275 VanDerWaalsContact C-N 3.3Å; E273-R275 PolarHBondContact O-N 3.14Å; R275-R277 VanDerWaalsContact C-N 3.33Å; R275-R277 PolarHBondContact O-N 2.88Å; R275-L278 PolarHBondContact O-N 3.4Å; R275-Y279 HydrophobicContact CG-CD2 4.01Å; R275-Y279 HydrophobicContact CG-CE2 4.03Å; R275-Y279 WeakPolarHBondContact O-CD2 3.45Å; R275-Y279 PolarHBondContact O-N 2.77Å; R275-E333 WeakPolarHBondContact CD-OE1 3.22Å; R275-E333 IonicContact CZ-OE1 2.92Å; R275-E333 IonicContact CZ-OE2 2.97Å; R275-E333 IonicContact NH1-OE1 3.93Å; R275-E333 PolarHBondContact NH1-OE1 2.91Å; R275-E333 IonicContact NH1-OE2 3.95Å; R275-E333 PolarHBondContact NH1-OE2 3.4Å |
| 276 | N | 96 | Very high | 94.3 | Very high | 98 Ų | 98 | 67 Ų | 67 | 52% | 0.524 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 177.2 | -68.9 | -23.6 | 0 | 0 | 0 | 111.7 | L272 E273 V274 L278 Y279 E280 | L272-N276 PolarHBondContact O-N 3.47Å; L272-N276 PolarHBondContact O-ND2 3.18Å; E273-N276 WeakPolarHBondContact O-CB 3.36Å; E273-N276 PolarHBondContact O-N 3.32Å; E273-N276 VanDerWaalsContact O-N 3.13Å; V274-N276 VanDerWaalsContact C-N 3.31Å; V274-N276 PolarHBondContact O-N 3.28Å; N276-L278 PolarHBondContact O-N 2.97Å; N276-Y279 WeakPolarHBondContact O-CB 3.5Å; N276-Y279 PolarHBondContact O-N 3.33Å; N276-E280 PolarHBondContact O-N 2.98Å |
| 277 | R | 95.4 | Very high | 94.4 | Very high | 48 Ų | 48 | 68.2 Ų | 68.2 | 18% | 0.181 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.9 | -42 | 173.8 | -66.5 | -177.1 | 67.6 | 93.1 | -4.3 | 112.1 | F254 E257 T258 E273 V274 R275 Y279 E280 L281 | F254-R277 VanDerWaalsContact CD2-NH2 3.29Å; F254-R277 HydrophobicContact CE1-CB 3.64Å; F254-R277 HydrophobicContact CE1-CG 4.24Å; F254-R277 WeakPolarHBondContact CE1-O 3.29Å; F254-R277 VanDerWaalsContact CE2-CZ 3.44Å; F254-R277 HydrophobicContact CZ-CB 3.61Å; F254-R277 HydrophobicContact CZ-CG 3.74Å; F254-R277 PolarHBondContact O-NH2 3.36Å; E257-R277 IonicContact OE2-CZ 2.77Å; E257-R277 IonicContact OE2-NH2 2.84Å; E257-R277 PolarHBondContact OE2-NH2 3.45Å; T258-R277 HydrophobicContact CG2-CB 4.45Å; T258-R277 PolarHBondContact OG1-NE 3.46Å; T258-R277 PolarHBondContact OG1-NH2 3.17Å; E273-R277 PolarHBondContact O-N 2.98Å; E273-R277 VanDerWaalsContact O-N 3.13Å; V274-R277 WeakPolarHBondContact O-CB 3.46Å; V274-R277 PolarHBondContact O-N 3.25Å; V274-R277 VanDerWaalsContact O-N 3.14Å; R275-R277 VanDerWaalsContact C-N 3.33Å; R275-R277 PolarHBondContact O-N 2.88Å; R277-Y279 VanDerWaalsContact C-N 3.34Å; R277-Y279 PolarHBondContact O-N 2.89Å; R277-E280 WeakPolarHBondContact O-CB 3.38Å; R277-E280 PolarHBondContact O-N 3.48Å; R277-L281 PolarHBondContact O-N 3.43Å; R277-L281 VanDerWaalsContact O-N 3.17Å |
| 278 | L | 95.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.6 | -38.4 | 175.2 | -65.1 | 174.2 | 0 | 0 | 0 | 112.1 | V274 R275 N276 E280 L281 L282 I291 L295 I329 L332 V336 | V274-L278 HydrophobicContact CG1-CD1 4.26Å; V274-L278 HydrophobicContact CG1-CG 4.33Å; V274-L278 WeakPolarHBondContact O-CG 3.47Å; V274-L278 PolarHBondContact O-N 3.27Å; R275-L278 PolarHBondContact O-N 3.4Å; N276-L278 PolarHBondContact O-N 2.97Å; L278-E280 VanDerWaalsContact C-N 3.33Å; L278-L281 HydrophobicContact CD2-CD1 4.48Å; L278-L281 PolarHBondContact O-N 2.96Å; L278-L282 WeakPolarHBondContact O-CG 3.36Å; L278-L282 PolarHBondContact O-N 3.28Å; L278-L282 VanDerWaalsContact O-N 3.13Å; L278-I291 HydrophobicContact CD2-CG2 3.99Å; L278-L295 HydrophobicContact CD2-CD1 3.83Å; L278-I329 HydrophobicContact CB-CD1 4.03Å; L278-L332 HydrophobicContact CD1-CB 3.97Å; L278-V336 HydrophobicContact CD1-CG2 4.13Å |
| 279 | Y | 95.1 | Very high | 94.5 | Very high | 93 Ų | 93 | 66.5 Ų | 66.5 | 37% | 0.365 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 173.1 | -95.9 | -70.4 | 0 | 0 | 0 | 112.2 | R275 N276 R277 L281 L282 C283 I329 | R275-Y279 HydrophobicContact CG-CD2 4.01Å; R275-Y279 HydrophobicContact CG-CE2 4.03Å; R275-Y279 WeakPolarHBondContact O-CD2 3.45Å; R275-Y279 PolarHBondContact O-N 2.77Å; N276-Y279 WeakPolarHBondContact O-CB 3.5Å; N276-Y279 PolarHBondContact O-N 3.33Å; R277-Y279 VanDerWaalsContact C-N 3.34Å; R277-Y279 PolarHBondContact O-N 2.89Å; Y279-L281 VanDerWaalsContact C-N 3.35Å; Y279-L281 PolarHBondContact O-N 3.43Å; Y279-L282 PolarHBondContact O-N 3.3Å; Y279-C283 PolarHBondContact O-N 2.88Å; Y279-C283 PolarHBondContact O-SG 2.8Å; Y279-I329 HydrophobicContact CD1-CD1 4.48Å; Y279-I329 HydrophobicContact CD2-CD1 3.72Å; Y279-I329 HydrophobicContact CD2-CG1 4.06Å; Y279-I329 HydrophobicContact CE1-CB 4.45Å; Y279-I329 HydrophobicContact CE1-CD1 4.48Å; Y279-I329 HydrophobicContact CE1-CG1 4.19Å; Y279-I329 HydrophobicContact CE2-CD1 3.71Å; Y279-I329 HydrophobicContact CE2-CG1 3.49Å; Y279-I329 VanDerWaalsContact CE2-CG1 3.49Å; Y279-I329 HydrophobicContact CG-CD1 4.12Å |
| 280 | E | 95.8 | Very high | 94.5 | Very high | 92 Ų | 92 | 61.6 Ų | 61.6 | 43% | 0.43 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 177.2 | -173.4 | 175.9 | 175.9 | 0 | 0 | 111.3 | F254 N276 R277 L278 L282 C283 H284 | F254-E280 HydrophobicContact CZ-CB 4.39Å; F254-E280 WeakPolarHBondContact CZ-OE2 3.27Å; N276-E280 PolarHBondContact O-N 2.98Å; R277-E280 WeakPolarHBondContact O-CB 3.38Å; R277-E280 PolarHBondContact O-N 3.48Å; L278-E280 VanDerWaalsContact C-N 3.33Å; E280-L282 VanDerWaalsContact C-N 3.32Å; E280-L282 PolarHBondContact O-N 3.32Å; E280-C283 WeakPolarHBondContact O-CB 3.26Å; E280-C283 PolarHBondContact O-N 3.33Å; E280-C283 VanDerWaalsContact O-N 3.16Å; E280-H284 PolarHBondContact O-N 3.07Å; E280-H284 VanDerWaalsContact O-N 3.09Å; E280-H284 PolarHBondContact O-ND1 2.92Å; E280-H284 IonicContact OE1-CE1 2.78Å |
| 281 | L | 95 | Very high | 94.6 | Very high | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.7 | -39.7 | 176.1 | -69.7 | 168.4 | 0 | 0 | 0 | 113 | W251 F254 L255 R277 L278 Y279 H284 I286 I291 | W251-L281 HydrophobicContact CB-CD2 4.1Å; F254-L281 HydrophobicContact CD1-CD1 3.9Å; F254-L281 HydrophobicContact CD1-CD2 3.64Å; F254-L281 HydrophobicContact CD1-CG 3.71Å; F254-L281 HydrophobicContact CE1-CD1 4.05Å; F254-L281 HydrophobicContact CE1-CD2 4.18Å; F254-L281 HydrophobicContact CE1-CG 3.77Å; F254-L281 HydrophobicContact CG-CD2 4.44Å; L255-L281 HydrophobicContact CD2-CD1 3.44Å; L255-L281 VanDerWaalsContact CD2-CD1 3.44Å; L255-L281 HydrophobicContact CG-CD1 4.05Å; R277-L281 PolarHBondContact O-N 3.43Å; R277-L281 VanDerWaalsContact O-N 3.17Å; L278-L281 HydrophobicContact CD2-CD1 4.48Å; L278-L281 PolarHBondContact O-N 2.96Å; Y279-L281 VanDerWaalsContact C-N 3.35Å; Y279-L281 PolarHBondContact O-N 3.43Å; L281-H284 PolarHBondContact O-N 3.16Å; L281-I286 HydrophobicContact CB-CD1 4.21Å; L281-I286 HydrophobicContact CD2-CD1 3.48Å; L281-I286 VanDerWaalsContact CD2-CD1 3.48Å; L281-I286 HydrophobicContact CG-CD1 4.48Å; L281-I286 PolarHBondContact O-N 3.17Å; L281-I291 HydrophobicContact CB-CD1 3.64Å; L281-I291 HydrophobicContact CB-CG1 4.3Å; L281-I291 HydrophobicContact CD1-CD1 4.46Å; L281-I291 HydrophobicContact CD1-CG1 4.42Å; L281-I291 HydrophobicContact CD1-CG2 4.29Å |
| 282 | L | 94.4 | Very high | 94.6 | Very high | 38 Ų | 38 | 58.8 Ų | 58.8 | 20% | 0.199 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.6 | -35.2 | 176.3 | -67.8 | 175.1 | 0 | 0 | 0 | 112.1 | L278 Y279 E280 H284 C285 P288 I291 P328 I329 L332 | L278-L282 WeakPolarHBondContact O-CG 3.36Å; L278-L282 PolarHBondContact O-N 3.28Å; L278-L282 VanDerWaalsContact O-N 3.13Å; Y279-L282 PolarHBondContact O-N 3.3Å; E280-L282 VanDerWaalsContact C-N 3.32Å; E280-L282 PolarHBondContact O-N 3.32Å; L282-H284 VanDerWaalsContact C-N 3.27Å; L282-H284 PolarHBondContact O-N 2.92Å; L282-C285 PolarHBondContact O-N 2.94Å; L282-C285 VanDerWaalsContact O-N 3.1Å; L282-P288 HydrophobicContact CD2-CB 4.1Å; L282-I291 HydrophobicContact CD2-CD1 3.76Å; L282-I291 HydrophobicContact CG-CD1 4.23Å; L282-P328 HydrophobicContact CD1-CG 4.24Å; L282-P328 HydrophobicContact CD2-CG 4.29Å; L282-I329 HydrophobicContact CD1-CB 4.12Å; L282-I329 HydrophobicContact CD1-CD1 4.14Å; L282-L332 HydrophobicContact CD1-CD1 4.36Å; L282-L332 HydrophobicContact CD2-CD1 4.41Å |
| 283 | C | 95.4 | Very high | 94.5 | Very high | 99 Ų | 99 | 61.8 Ų | 61.8 | 67% | 0.669 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.6 | -33.4 | 174.7 | -66.7 | 0 | 0 | 0 | 0 | 111.8 | Y279 E280 C285 | Y279-C283 PolarHBondContact O-N 2.88Å; Y279-C283 PolarHBondContact O-SG 2.8Å; E280-C283 WeakPolarHBondContact O-CB 3.26Å; E280-C283 PolarHBondContact O-N 3.33Å; E280-C283 VanDerWaalsContact O-N 3.16Å; C283-C285 PolarHBondContact O-N 3.45Å |
| 284 | H | 94.4 | Very high | 94.5 | Very high | 126 Ų | 126 | 58.1 Ų | 58.1 | 58% | 0.583 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 13.4 | 173.4 | -68 | 93.9 | 0 | 0 | 0 | 113.9 | E280 L281 L282 I286 | E280-H284 PolarHBondContact O-N 3.07Å; E280-H284 VanDerWaalsContact O-N 3.09Å; E280-H284 PolarHBondContact O-ND1 2.92Å; E280-H284 IonicContact OE1-CE1 2.78Å; L281-H284 PolarHBondContact O-N 3.16Å; L282-H284 VanDerWaalsContact C-N 3.27Å; L282-H284 PolarHBondContact O-N 2.92Å; H284-I286 HydrophobicContact CB-CD1 4.28Å; H284-I286 HydrophobicContact CB-CG1 4.36Å; H284-I286 PolarHBondContact O-N 3.46Å |
| 285 | C | 92 | Very high | 94.4 | Very high | 113 Ų | 113 | 58 Ų | 58 | 76% | 0.764 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 28.2 | 177.9 | -62.1 | 0 | 0 | 0 | 0 | 114.2 | L282 C283 P287 | L282-C285 PolarHBondContact O-N 2.94Å; L282-C285 VanDerWaalsContact O-N 3.1Å; C283-C285 PolarHBondContact O-N 3.45Å; C285-P287 WeakPolarHBondContact O-CD 3.37Å |
| 286 | I | 94.4 | Very high | 94.4 | Very high | 22 Ų | 22 | 55.9 Ų | 55.9 | 11% | 0.113 | 29% | 0.291 | C | S | . | . | trans | -77.7 | 125 | 174.3 | -58.3 | 163.3 | 0 | 0 | 0 | 108.1 | W251 L281 H284 I290 I291 | W251-I286 HydrophobicContact CB-CD1 3.33Å; W251-I286 HydrophobicContact CB-CG1 4.44Å; W251-I286 HydrophobicContact CG-CD1 3.92Å; L281-I286 HydrophobicContact CB-CD1 4.21Å; L281-I286 HydrophobicContact CD2-CD1 3.48Å; L281-I286 VanDerWaalsContact CD2-CD1 3.48Å; L281-I286 HydrophobicContact CG-CD1 4.48Å; L281-I286 PolarHBondContact O-N 3.17Å; H284-I286 HydrophobicContact CB-CD1 4.28Å; H284-I286 HydrophobicContact CB-CG1 4.36Å; H284-I286 PolarHBondContact O-N 3.46Å; I286-I290 HydrophobicContact CG2-CB 4.39Å; I286-I290 HydrophobicContact CG2-CG2 4.38Å; I286-I291 HydrophobicContact CB-CD1 4.21Å; I286-I291 HydrophobicContact CB-CG1 4.26Å; I286-I291 HydrophobicContact CG2-CD1 4.23Å; I286-I291 HydrophobicContact CG2-CG1 3.73Å | ||
| 287 | P | 92.8 | Very high | 94.3 | Very high | 66 Ų | 66 | 54.8 Ų | 54.8 | 43% | 0.429 | 29% | 0.286 | S | S | . | . | trans | -55.5 | 133.3 | 179.5 | -26.4 | 33.5 | 0 | 0 | 0 | 111.4 | C285 N289 I290 I291 | C285-P287 WeakPolarHBondContact O-CD 3.37Å; P287-N289 PolarHBondContact O-N 2.86Å; P287-N289 VanDerWaalsContact O-N 3.14Å; P287-I290 HydrophobicContact CB-CD1 4.15Å; P287-I290 HydrophobicContact CB-CG1 4.15Å; P287-I290 HydrophobicContact CG-CD1 3.89Å; P287-I290 HydrophobicContact CG-CG1 4.43Å; P287-I290 WeakPolarHBondContact O-CB 3.38Å; P287-I290 PolarHBondContact O-N 3.32Å; P287-I291 PolarHBondContact O-N 2.91Å | ||
| 288 | P | 93.9 | Very high | 94.2 | Very high | 35 Ų | 35 | 54 Ų | 54 | 23% | 0.227 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.5 | -25.7 | -175.1 | 28.9 | -37.7 | 0 | 0 | 0 | 112.3 | L282 I290 I291 M292 L322 P328 L332 | L282-P288 HydrophobicContact CD2-CB 4.1Å; P288-I290 VanDerWaalsContact C-N 3.32Å; P288-I290 PolarHBondContact O-N 3.35Å; P288-I291 PolarHBondContact O-N 3.46Å; P288-M292 WeakPolarHBondContact O-CB 3.31Å; P288-M292 PolarHBondContact O-N 2.88Å; P288-L322 HydrophobicContact CB-CD1 3.95Å; P288-L322 HydrophobicContact CB-CD2 3.9Å; P288-L322 HydrophobicContact CB-CG 4.41Å; P288-L322 HydrophobicContact CG-CD1 4.22Å; P288-L322 HydrophobicContact CG-CD2 4.33Å; P288-P328 HydrophobicContact CB-CB 3.67Å; P288-P328 HydrophobicContact CG-CB 3.9Å; P288-L332 HydrophobicContact CB-CD1 4.46Å |
| 289 | N | 92.1 | Very high | 94.1 | Very high | 60 Ų | 60 | 53.9 Ų | 53.9 | 32% | 0.321 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.8 | -35.8 | 173.4 | -66.8 | -16.1 | 0 | 0 | 0 | 112.2 | P287 R293 L322 N323 | P287-N289 PolarHBondContact O-N 2.86Å; P287-N289 VanDerWaalsContact O-N 3.14Å; N289-R293 VanDerWaalsContact O-CB 3.3Å; N289-R293 WeakPolarHBondContact O-CB 3.18Å; N289-R293 PolarHBondContact O-N 2.88Å; N289-L322 VanDerWaalsContact OD1-CD2 3.28Å; N289-L322 WeakPolarHBondContact OD1-CD2 3.32Å; N289-N323 PolarHBondContact ND2-OD1 3.1Å; N289-N323 VanDerWaalsContact ND2-OD1 3.08Å; N289-N323 PolarHBondContact OD1-OD1 3.16Å |
| 290 | I | 93.1 | Very high | 94 | Very high | 75 Ų | 75 | 50.9 Ų | 50.9 | 39% | 0.385 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -72.3 | -40.6 | 176 | -62.6 | 179.4 | 0 | 0 | 0 | 110 | W251 I286 P287 P288 G294 | W251-I290 HydrophobicContact CH2-CG2 3.53Å; W251-I290 HydrophobicContact CZ2-CG2 4.3Å; W251-I290 HydrophobicContact CZ3-CG2 3.63Å; I286-I290 HydrophobicContact CG2-CB 4.39Å; I286-I290 HydrophobicContact CG2-CG2 4.38Å; P287-I290 HydrophobicContact CB-CD1 4.15Å; P287-I290 HydrophobicContact CB-CG1 4.15Å; P287-I290 HydrophobicContact CG-CD1 3.89Å; P287-I290 HydrophobicContact CG-CG1 4.43Å; P287-I290 WeakPolarHBondContact O-CB 3.38Å; P287-I290 PolarHBondContact O-N 3.32Å; P288-I290 VanDerWaalsContact C-N 3.32Å; P288-I290 PolarHBondContact O-N 3.35Å; I290-G294 PolarHBondContact O-N 3.47Å |
| 291 | I | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.1 | -51.1 | 174.5 | -64.2 | 172.2 | 0 | 0 | 0 | 110.1 | L255 L278 L281 L282 I286 P287 P288 R293 G294 L295 L332 | L255-I291 HydrophobicContact CD2-CG2 4.13Å; L278-I291 HydrophobicContact CD2-CG2 3.99Å; L281-I291 HydrophobicContact CB-CD1 3.64Å; L281-I291 HydrophobicContact CB-CG1 4.3Å; L281-I291 HydrophobicContact CD1-CD1 4.46Å; L281-I291 HydrophobicContact CD1-CG1 4.42Å; L281-I291 HydrophobicContact CD1-CG2 4.29Å; L282-I291 HydrophobicContact CD2-CD1 3.76Å; L282-I291 HydrophobicContact CG-CD1 4.23Å; I286-I291 HydrophobicContact CB-CD1 4.21Å; I286-I291 HydrophobicContact CB-CG1 4.26Å; I286-I291 HydrophobicContact CG2-CD1 4.23Å; I286-I291 HydrophobicContact CG2-CG1 3.73Å; P287-I291 PolarHBondContact O-N 2.91Å; P288-I291 PolarHBondContact O-N 3.46Å; I291-R293 PolarHBondContact O-N 3.35Å; I291-G294 PolarHBondContact O-N 3.46Å; I291-L295 HydrophobicContact CG2-CD1 4.06Å; I291-L295 HydrophobicContact CG2-CG 4.49Å; I291-L295 WeakPolarHBondContact O-CG 3.23Å; I291-L295 PolarHBondContact O-N 2.96Å; I291-L332 HydrophobicContact CG2-CD1 4.03Å; I291-L332 HydrophobicContact CG2-CD2 4.16Å |
| 292 | M | 94.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.6 | -50.6 | -179.6 | -172.1 | 67 | -169.8 | 0 | 0 | 111.4 | P288 G294 L295 V296 G315 E319 L322 L332 F335 | P288-M292 WeakPolarHBondContact O-CB 3.31Å; P288-M292 PolarHBondContact O-N 2.88Å; M292-G294 PolarHBondContact O-N 2.82Å; M292-L295 PolarHBondContact O-N 2.87Å; M292-V296 HydrophobicContact CE-CG2 4.14Å; M292-V296 WeakPolarHBondContact O-CG2 3.38Å; M292-V296 PolarHBondContact O-N 3.33Å; M292-G315 WeakPolarHBondContact CE-O 3.41Å; M292-E319 HydrophobicContact CG-CB 4.22Å; M292-L322 HydrophobicContact CB-CD2 4.3Å; M292-L332 HydrophobicContact CB-CD2 4.07Å; M292-L332 HydrophobicContact SD-CD2 3.91Å; M292-F335 HydrophobicContact CE-CB 3.94Å; M292-F335 HydrophobicContact CE-CD1 3.73Å; M292-F335 HydrophobicContact CE-CD2 3.3Å; M292-F335 HydrophobicContact CE-CE1 4.02Å; M292-F335 HydrophobicContact CE-CE2 3.61Å; M292-F335 HydrophobicContact CE-CG 3.36Å; M292-F335 HydrophobicContact CE-CZ 3.95Å; M292-F335 HydrophobicContact SD-CB 4.22Å; M292-F335 HydrophobicContact SD-CD1 3.82Å; M292-F335 HydrophobicContact SD-CD2 4.43Å; M292-F335 HydrophobicContact SD-CE1 4.28Å; M292-F335 HydrophobicContact SD-CG 3.9Å |
| 293 | R | 93.6 | Very high | 93 | Very high | 167 Ų | 167 | 54.6 Ų | 54.6 | 63% | 0.63 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -59.7 | -46.5 | 177.1 | -174.7 | 176.9 | -166.9 | 161.5 | 7.7 | 111.9 | N289 I291 L295 V296 D297 | N289-R293 VanDerWaalsContact O-CB 3.3Å; N289-R293 WeakPolarHBondContact O-CB 3.18Å; N289-R293 PolarHBondContact O-N 2.88Å; I291-R293 PolarHBondContact O-N 3.35Å; R293-L295 PolarHBondContact O-N 3.26Å; R293-V296 PolarHBondContact O-N 3.05Å; R293-D297 WeakPolarHBondContact O-CB 3.42Å; R293-D297 VanDerWaalsContact O-CG 3.29Å; R293-D297 PolarHBondContact O-N 2.89Å |
| 294 | G | 93.3 | Very high | 92.5 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 13% | 0.134 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I290 I291 M292 N298 | I290-G294 PolarHBondContact O-N 3.47Å; I291-G294 PolarHBondContact O-N 3.46Å; M292-G294 PolarHBondContact O-N 2.82Å; G294-N298 WeakPolarHBondContact O-CB 3.3Å; G294-N298 PolarHBondContact O-N 3.37Å; G294-N298 VanDerWaalsContact O-N 3.07Å; G294-N298 PolarHBondContact O-ND2 3.48Å |
| 295 | L | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66 | -48.5 | 173.6 | -72.8 | 172.4 | 0 | 0 | 0 | 111.4 | L255 T258 I262 L278 I291 M292 R293 D297 N298 L299 F335 | L255-L295 HydrophobicContact CD2-CD2 3.8Å; L255-L295 HydrophobicContact CD2-CG 3.91Å; T258-L295 HydrophobicContact CG2-CD2 4.31Å; I262-L295 HydrophobicContact CD1-CD2 4.39Å; L278-L295 HydrophobicContact CD2-CD1 3.83Å; I291-L295 HydrophobicContact CG2-CD1 4.06Å; I291-L295 HydrophobicContact CG2-CG 4.49Å; I291-L295 WeakPolarHBondContact O-CG 3.23Å; I291-L295 PolarHBondContact O-N 2.96Å; M292-L295 PolarHBondContact O-N 2.87Å; R293-L295 PolarHBondContact O-N 3.26Å; L295-D297 PolarHBondContact O-N 3.07Å; L295-N298 PolarHBondContact O-N 3.46Å; L295-L299 WeakPolarHBondContact O-CB 3.25Å; L295-L299 VanDerWaalsContact O-CG 3.23Å; L295-L299 WeakPolarHBondContact O-CG 3.42Å; L295-L299 PolarHBondContact O-N 3.36Å; L295-F335 HydrophobicContact CB-CE1 4.21Å |
| 296 | V | 95.1 | Very high | 91.9 | Very high | 20 Ų | 20 | 58.6 Ų | 58.6 | 12% | 0.121 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59 | -47.6 | 178.6 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | M292 R293 N298 L299 L300 F335 | M292-V296 HydrophobicContact CE-CG2 4.14Å; M292-V296 WeakPolarHBondContact O-CG2 3.38Å; M292-V296 PolarHBondContact O-N 3.33Å; R293-V296 PolarHBondContact O-N 3.05Å; V296-N298 PolarHBondContact O-N 3.46Å; V296-L299 PolarHBondContact O-N 3.38Å; V296-L300 HydrophobicContact CG1-CD1 3.63Å; V296-L300 HydrophobicContact CG1-CG 4.12Å; V296-L300 VanDerWaalsContact O-CB 3.3Å; V296-L300 WeakPolarHBondContact O-CB 3.32Å; V296-L300 WeakPolarHBondContact O-CG 3.23Å; V296-L300 PolarHBondContact O-N 3.43Å; V296-F335 HydrophobicContact CG2-CE1 4.27Å; V296-F335 HydrophobicContact CG2-CE2 4.11Å; V296-F335 HydrophobicContact CG2-CZ 3.58Å |
| 297 | D | 93.9 | Very high | 91.6 | Very high | 76 Ų | 76 | 57.8 Ų | 57.8 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | -179.8 | -72.2 | -24.6 | 0 | 0 | 0 | 112 | R293 L295 N301 | R293-D297 WeakPolarHBondContact O-CB 3.42Å; R293-D297 VanDerWaalsContact O-CG 3.29Å; R293-D297 PolarHBondContact O-N 2.89Å; L295-D297 PolarHBondContact O-N 3.07Å; D297-N301 VanDerWaalsContact O-CG 3.29Å; D297-N301 PolarHBondContact O-N 2.94Å; D297-N301 PolarHBondContact O-ND2 2.97Å; D297-N301 VanDerWaalsContact O-ND2 3.16Å |
| 298 | N | 93.7 | Very high | 91.6 | Very high | 30 Ų | 30 | 58.4 Ų | 58.4 | 16% | 0.16 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.2 | -44 | 176.7 | -79.3 | -59.1 | 0 | 0 | 0 | 112.2 | T256 A259 G294 L295 V296 N301 | T256-N298 PolarHBondContact OG1-OD1 3.01Å; A259-N298 HydrophobicContact CB-CB 3.6Å; G294-N298 WeakPolarHBondContact O-CB 3.3Å; G294-N298 PolarHBondContact O-N 3.37Å; G294-N298 VanDerWaalsContact O-N 3.07Å; G294-N298 PolarHBondContact O-ND2 3.48Å; L295-N298 PolarHBondContact O-N 3.46Å; V296-N298 PolarHBondContact O-N 3.46Å; N298-N301 PolarHBondContact O-N 3.18Å |
| 299 | L | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.4 | -38.1 | 178.4 | -68.4 | 173.2 | 0 | 0 | 0 | 111.7 | A259 I262 L263 L295 V296 N301 S302 C303 L311 F335 F339 | A259-L299 HydrophobicContact CB-CD2 3.98Å; A259-L299 HydrophobicContact CB-CG 4.28Å; I262-L299 HydrophobicContact CB-CD2 4.44Å; I262-L299 HydrophobicContact CG2-CD2 4.28Å; L263-L299 HydrophobicContact CD1-CD2 4.22Å; L263-L299 HydrophobicContact CD2-CD2 4.14Å; L263-L299 HydrophobicContact CG-CD2 3.93Å; L295-L299 WeakPolarHBondContact O-CB 3.25Å; L295-L299 VanDerWaalsContact O-CG 3.23Å; L295-L299 WeakPolarHBondContact O-CG 3.42Å; L295-L299 PolarHBondContact O-N 3.36Å; V296-L299 PolarHBondContact O-N 3.38Å; L299-N301 VanDerWaalsContact C-N 3.25Å; L299-N301 PolarHBondContact O-N 3.28Å; L299-S302 PolarHBondContact O-N 3.3Å; L299-S302 VanDerWaalsContact O-N 3.17Å; L299-C303 WeakPolarHBondContact O-CB 3.46Å; L299-C303 PolarHBondContact O-N 3.12Å; L299-C303 PolarHBondContact O-SG 3.41Å; L299-L311 HydrophobicContact CB-CD1 4.5Å; L299-L311 HydrophobicContact CB-CD2 3.6Å; L299-L311 HydrophobicContact CD1-CD1 4.32Å; L299-F335 HydrophobicContact CD1-CE1 4.24Å; L299-F335 HydrophobicContact CD1-CZ 4.26Å; L299-F339 HydrophobicContact CB-CZ 4.39Å; L299-F339 HydrophobicContact CD1-CD1 3.85Å; L299-F339 HydrophobicContact CD1-CE1 3.87Å; L299-F339 HydrophobicContact CD1-CG 4.2Å; L299-F339 HydrophobicContact CD1-CZ 4.23Å; L299-F339 HydrophobicContact CD2-CD1 4.38Å; L299-F339 HydrophobicContact CD2-CE1 3.67Å; L299-F339 HydrophobicContact CD2-CZ 4.06Å; L299-F339 HydrophobicContact CG-CE1 4.28Å; L299-F339 HydrophobicContact CG-CZ 4.46Å |
| 300 | L | 92.8 | Very high | 91.4 | Very high | 30 Ų | 30 | 64.9 Ų | 64.9 | 16% | 0.157 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.7 | -28.4 | 177.2 | -78 | 172.7 | 0 | 0 | 0 | 113.5 | V296 S302 K308 L311 V312 | V296-L300 HydrophobicContact CG1-CD1 3.63Å; V296-L300 HydrophobicContact CG1-CG 4.12Å; V296-L300 VanDerWaalsContact O-CB 3.3Å; V296-L300 WeakPolarHBondContact O-CB 3.32Å; V296-L300 WeakPolarHBondContact O-CG 3.23Å; V296-L300 PolarHBondContact O-N 3.43Å; L300-S302 VanDerWaalsContact C-N 3.32Å; L300-K308 HydrophobicContact CD2-CB 3.8Å; L300-K308 HydrophobicContact CD2-CD 4.48Å; L300-K308 HydrophobicContact CD2-CG 3.78Å; L300-K308 WeakPolarHBondContact O-CE 3.36Å; L300-K308 PolarHBondContact O-NZ 3.35Å; L300-L311 HydrophobicContact CB-CD2 4.45Å; L300-L311 HydrophobicContact CD2-CB 4.33Å; L300-L311 HydrophobicContact CD2-CD2 3.66Å; L300-L311 HydrophobicContact CD2-CG 4.05Å; L300-L311 HydrophobicContact CG-CD2 3.74Å; L300-L311 HydrophobicContact CG-CG 4.29Å; L300-V312 HydrophobicContact CD1-CG2 4.02Å; L300-V312 HydrophobicContact CD2-CG2 3.89Å |
| 301 | N | 90.2 | Very high | 91.5 | Very high | 129 Ų | 129 | 61.4 Ų | 61.4 | 69% | 0.69 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -70.9 | -30.8 | 177 | -70.6 | -28.6 | 0 | 0 | 0 | 112.1 | D297 N298 L299 | D297-N301 VanDerWaalsContact O-CG 3.29Å; D297-N301 PolarHBondContact O-N 2.94Å; D297-N301 PolarHBondContact O-ND2 2.97Å; D297-N301 VanDerWaalsContact O-ND2 3.16Å; N298-N301 PolarHBondContact O-N 3.18Å; L299-N301 VanDerWaalsContact C-N 3.25Å; L299-N301 PolarHBondContact O-N 3.28Å |
| 302 | S | 87.3 | Confident | 91.4 | Very high | 77 Ų | 77 | 65 Ų | 65 | 54% | 0.538 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -96.8 | -18.7 | -177.5 | -58.2 | 0 | 0 | 0 | 0 | 114.6 | L299 L300 | L299-S302 PolarHBondContact O-N 3.3Å; L299-S302 VanDerWaalsContact O-N 3.17Å; L300-S302 VanDerWaalsContact C-N 3.32Å |
| 303 | C | 86.6 | Confident | 91.4 | Very high | 7 Ų | 7 | 71.7 Ų | 71.7 | 5% | 0.047 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -84.7 | 158.7 | -177 | -68.1 | 0 | 0 | 0 | 0 | 114.2 | L299 L307 K308 | L299-C303 WeakPolarHBondContact O-CB 3.46Å; L299-C303 PolarHBondContact O-N 3.12Å; L299-C303 PolarHBondContact O-SG 3.41Å; C303-L307 HydrophobicContact CB-CB 4.1Å; C303-K308 HydrophobicContact CB-CG 4.38Å; C303-K308 WeakPolarHBondContact O-CE 3.44Å |
| 304 | D | 85.1 | Confident | 91.5 | Very high | 95 Ų | 95 | 64.6 Ų | 64.6 | 51% | 0.508 | 33% | 0.33 | S | S | . | . | trans | -77.2 | 161.8 | 173 | -73.7 | -46.6 | 0 | 0 | 0 | 113.9 | N306 L307 K308 Y346 | D304-N306 VanDerWaalsContact C-N 3.31Å; D304-N306 PolarHBondContact O-N 3.16Å; D304-L307 PolarHBondContact O-N 3.37Å; D304-L307 VanDerWaalsContact O-N 3.14Å; D304-K308 WeakPolarHBondContact O-CG 3.5Å; D304-K308 PolarHBondContact O-N 2.86Å; D304-Y346 PolarHBondContact OD2-OH 2.89Å | ||
| 305 | R | 86.1 | Confident | 91.5 | Very high | 213 Ų | 213 | 64.2 Ų | 64.2 | 80% | 0.804 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -54.3 | -39.1 | -173.1 | -171.3 | 176.5 | -178.5 | 177 | -0.4 | 114.4 | K308 | R305-K308 PolarHBondContact O-N 3.37Å |
| 306 | N | 86.4 | Confident | 91.5 | Very high | 113 Ų | 113 | 66.9 Ų | 66.9 | 60% | 0.604 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -70.2 | -46.4 | -180 | -66.1 | -12.5 | 0 | 0 | 0 | 110.9 | D304 K308 L309 | D304-N306 VanDerWaalsContact C-N 3.31Å; D304-N306 PolarHBondContact O-N 3.16Å; N306-K308 VanDerWaalsContact C-N 3.26Å; N306-K308 PolarHBondContact O-N 3.49Å; N306-L309 PolarHBondContact O-N 2.89Å |
| 307 | L | 89.1 | Confident | 91.6 | Very high | 5 Ų | 5 | 69.9 Ų | 69.9 | 3% | 0.026 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.3 | -31.7 | 175.3 | -77.3 | 176.3 | 0 | 0 | 0 | 112.9 | C303 D304 L309 E310 L311 I342 Y343 Y346 | C303-L307 HydrophobicContact CB-CB 4.1Å; D304-L307 PolarHBondContact O-N 3.37Å; D304-L307 VanDerWaalsContact O-N 3.14Å; L307-L309 VanDerWaalsContact C-N 3.27Å; L307-L309 PolarHBondContact O-N 2.92Å; L307-E310 PolarHBondContact O-N 2.62Å; L307-L311 WeakPolarHBondContact O-CB 3.36Å; L307-L311 PolarHBondContact O-N 3.06Å; L307-I342 HydrophobicContact CD2-CG2 3.82Å; L307-Y343 HydrophobicContact CD1-CD2 3.68Å; L307-Y343 HydrophobicContact CD1-CE2 3.88Å; L307-Y346 HydrophobicContact CD1-CD1 3.33Å; L307-Y346 HydrophobicContact CD1-CD2 4.19Å; L307-Y346 HydrophobicContact CD1-CE1 3.61Å; L307-Y346 HydrophobicContact CD1-CE2 4.45Å; L307-Y346 HydrophobicContact CD1-CG 3.63Å; L307-Y346 HydrophobicContact CD2-CD1 4.38Å; L307-Y346 HydrophobicContact CD2-CD2 3.96Å; L307-Y346 HydrophobicContact CD2-CG 3.78Å; L307-Y346 HydrophobicContact CG-CD1 3.93Å; L307-Y346 HydrophobicContact CG-CD2 3.82Å; L307-Y346 HydrophobicContact CG-CE1 4.16Å; L307-Y346 HydrophobicContact CG-CE2 4.1Å; L307-Y346 HydrophobicContact CG-CG 3.73Å |
| 308 | K | 92.5 | Very high | 91.6 | Very high | 79 Ų | 79 | 67.7 Ų | 67.7 | 34% | 0.343 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.1 | -38.1 | 177.4 | -71.3 | -176.1 | -163.8 | -145.5 | 0 | 112.2 | L300 C303 D304 R305 N306 V312 | L300-K308 HydrophobicContact CD2-CB 3.8Å; L300-K308 HydrophobicContact CD2-CD 4.48Å; L300-K308 HydrophobicContact CD2-CG 3.78Å; L300-K308 WeakPolarHBondContact O-CE 3.36Å; L300-K308 PolarHBondContact O-NZ 3.35Å; C303-K308 HydrophobicContact CB-CG 4.38Å; C303-K308 WeakPolarHBondContact O-CE 3.44Å; D304-K308 WeakPolarHBondContact O-CG 3.5Å; D304-K308 PolarHBondContact O-N 2.86Å; R305-K308 PolarHBondContact O-N 3.37Å; N306-K308 VanDerWaalsContact C-N 3.26Å; N306-K308 PolarHBondContact O-N 3.49Å; K308-V312 VanDerWaalsContact O-CG2 3.23Å; K308-V312 WeakPolarHBondContact O-CG2 3.38Å; K308-V312 PolarHBondContact O-N 3.42Å |
| 309 | L | 91.5 | Very high | 91.7 | Very high | 130 Ų | 130 | 70.1 Ų | 70.1 | 68% | 0.681 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -66.3 | -48.6 | 179.1 | -67.6 | 175.7 | 0 | 0 | 0 | 111.2 | N306 L307 V312 Q313 | N306-L309 PolarHBondContact O-N 2.89Å; L307-L309 VanDerWaalsContact C-N 3.27Å; L307-L309 PolarHBondContact O-N 2.92Å; L309-V312 PolarHBondContact O-N 3.24Å; L309-Q313 PolarHBondContact O-N 2.86Å; L309-Q313 VanDerWaalsContact O-N 3.07Å |
| 310 | E | 91 | Very high | 91.7 | Very high | 101 Ų | 101 | 75.7 Ų | 75.7 | 47% | 0.472 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 179.2 | -65 | -173.5 | -179.8 | 0 | 0 | 111.8 | L307 V312 Q313 L314 I342 | L307-E310 PolarHBondContact O-N 2.62Å; E310-V312 PolarHBondContact O-N 3.32Å; E310-Q313 PolarHBondContact O-N 2.9Å; E310-L314 VanDerWaalsContact O-CB 3.32Å; E310-L314 WeakPolarHBondContact O-CB 3.35Å; E310-L314 PolarHBondContact O-N 2.94Å; E310-I342 WeakPolarHBondContact OE2-CG2 3.07Å |
| 311 | L | 94 | Very high | 91.8 | Very high | 2 Ų | 2 | 79.5 Ų | 79.5 | 1% | 0.01 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 176.1 | 173.2 | 58.1 | 0 | 0 | 0 | 112 | L299 L300 L307 L314 G315 F335 F339 | L299-L311 HydrophobicContact CB-CD1 4.5Å; L299-L311 HydrophobicContact CB-CD2 3.6Å; L299-L311 HydrophobicContact CD1-CD1 4.32Å; L300-L311 HydrophobicContact CB-CD2 4.45Å; L300-L311 HydrophobicContact CD2-CB 4.33Å; L300-L311 HydrophobicContact CD2-CD2 3.66Å; L300-L311 HydrophobicContact CD2-CG 4.05Å; L300-L311 HydrophobicContact CG-CD2 3.74Å; L300-L311 HydrophobicContact CG-CG 4.29Å; L307-L311 WeakPolarHBondContact O-CB 3.36Å; L307-L311 PolarHBondContact O-N 3.06Å; L311-L314 PolarHBondContact O-N 2.93Å; L311-G315 PolarHBondContact O-N 3.08Å; L311-F335 HydrophobicContact CD1-CE2 3.94Å; L311-F335 HydrophobicContact CD1-CZ 3.73Å; L311-F339 HydrophobicContact CB-CE2 4.42Å; L311-F339 HydrophobicContact CD1-CD2 3.61Å; L311-F339 HydrophobicContact CD1-CE2 3.9Å; L311-F339 HydrophobicContact CD1-CG 4.35Å; L311-F339 HydrophobicContact CD2-CE2 4.07Å; L311-F339 HydrophobicContact CG-CD2 4.46Å; L311-F339 HydrophobicContact CG-CE2 4.36Å |
| 312 | V | 94.3 | Very high | 91.9 | Very high | 77 Ų | 77 | 73.9 Ų | 73.9 | 47% | 0.467 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65 | -42.9 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 111 | L300 K308 L309 E310 G315 A316 | L300-V312 HydrophobicContact CD1-CG2 4.02Å; L300-V312 HydrophobicContact CD2-CG2 3.89Å; K308-V312 VanDerWaalsContact O-CG2 3.23Å; K308-V312 WeakPolarHBondContact O-CG2 3.38Å; K308-V312 PolarHBondContact O-N 3.42Å; L309-V312 PolarHBondContact O-N 3.24Å; E310-V312 PolarHBondContact O-N 3.32Å; V312-G315 PolarHBondContact O-N 3.31Å; V312-A316 WeakPolarHBondContact O-CB 3.43Å; V312-A316 PolarHBondContact O-N 3.24Å |
| 313 | Q | 95 | Very high | 91.9 | Very high | 142 Ų | 142 | 74.6 Ų | 74.6 | 66% | 0.664 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.1 | -46.4 | 177.5 | -178.4 | 175.1 | -6.2 | 0 | 0 | 111.3 | L309 E310 A316 E317 | L309-Q313 PolarHBondContact O-N 2.86Å; L309-Q313 VanDerWaalsContact O-N 3.07Å; E310-Q313 PolarHBondContact O-N 2.9Å; Q313-A316 PolarHBondContact O-N 3.36Å; Q313-E317 PolarHBondContact O-N 3.06Å |
| 314 | L | 94.6 | Very high | 92 | Very high | 18 Ų | 18 | 80.4 Ų | 80.4 | 9% | 0.094 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 176.5 | -162.9 | 75.6 | 0 | 0 | 0 | 111.2 | E310 L311 A316 E317 Y318 F335 A338 F339 I342 | E310-L314 VanDerWaalsContact O-CB 3.32Å; E310-L314 WeakPolarHBondContact O-CB 3.35Å; E310-L314 PolarHBondContact O-N 2.94Å; L311-L314 PolarHBondContact O-N 2.93Å; L314-A316 PolarHBondContact O-N 3.35Å; L314-E317 PolarHBondContact O-N 3.09Å; L314-Y318 HydrophobicContact CD1-CD2 4.11Å; L314-Y318 HydrophobicContact CD1-CE2 3.59Å; L314-Y318 HydrophobicContact CG-CD2 3.86Å; L314-Y318 HydrophobicContact CG-CE2 3.8Å; L314-Y318 VanDerWaalsContact O-CD2 3.28Å; L314-Y318 WeakPolarHBondContact O-CD2 3.49Å; L314-Y318 PolarHBondContact O-N 3.5Å; L314-F335 HydrophobicContact CB-CE2 4.44Å; L314-F335 HydrophobicContact CD2-CD2 3.87Å; L314-F335 HydrophobicContact CD2-CE2 3.96Å; L314-F335 HydrophobicContact CG-CD2 4.03Å; L314-F335 HydrophobicContact CG-CE2 4.26Å; L314-A338 HydrophobicContact CD1-CB 3.83Å; L314-A338 HydrophobicContact CD2-CB 3.91Å; L314-A338 HydrophobicContact CG-CB 4.34Å; L314-F339 HydrophobicContact CD2-CB 3.87Å; L314-I342 HydrophobicContact CD1-CD1 4.26Å; L314-I342 HydrophobicContact CD2-CD1 4.22Å |
| 315 | G | 94.3 | Very high | 92.1 | Very high | 4 Ų | 4 | 77.3 Ų | 77.3 | 4% | 0.041 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.5 | -47.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M292 L311 V312 E317 Y318 E319 | M292-G315 WeakPolarHBondContact CE-O 3.41Å; L311-G315 PolarHBondContact O-N 3.08Å; V312-G315 PolarHBondContact O-N 3.31Å; G315-E317 PolarHBondContact O-N 2.96Å; G315-Y318 PolarHBondContact O-N 3.23Å; G315-E319 WeakPolarHBondContact O-CB 3.3Å; G315-E319 PolarHBondContact O-N 3.48Å |
| 316 | A | 95.4 | Very high | 91.9 | Very high | 56 Ų | 56 | 76.3 Ų | 76.3 | 46% | 0.463 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V312 Q313 L314 H320 | V312-A316 WeakPolarHBondContact O-CB 3.43Å; V312-A316 PolarHBondContact O-N 3.24Å; Q313-A316 PolarHBondContact O-N 3.36Å; L314-A316 PolarHBondContact O-N 3.35Å; A316-H320 WeakPolarHBondContact O-CB 3.27Å; A316-H320 PolarHBondContact O-N 3.08Å |
| 317 | E | 95.8 | Very high | 92.2 | Very high | 83 Ų | 83 | 77.2 Ų | 77.2 | 39% | 0.388 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.3 | -48.4 | 178.6 | -176.5 | 176.2 | -175.8 | 0 | 0 | 111.9 | Q313 L314 G315 H320 R321 | Q313-E317 PolarHBondContact O-N 3.06Å; L314-E317 PolarHBondContact O-N 3.09Å; G315-E317 PolarHBondContact O-N 2.96Å; E317-H320 PolarHBondContact O-N 3.23Å; E317-R321 WeakPolarHBondContact O-CG 3.47Å; E317-R321 PolarHBondContact O-N 3.23Å; E317-R321 IonicContact OE1-CZ 2.82Å; E317-R321 IonicContact OE1-NE 3.5Å; E317-R321 PolarHBondContact OE1-NE 2.85Å; E317-R321 IonicContact OE1-NH2 3.66Å; E317-R321 PolarHBondContact OE1-NH2 3.14Å |
| 318 | Y | 95.4 | Very high | 92.3 | Very high | 30 Ų | 30 | 78.9 Ų | 78.9 | 12% | 0.118 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -73.8 | -32.1 | -179.5 | -76 | -73.1 | 0 | 0 | 0 | 113.2 | L314 G315 H320 R321 L322 A334 F335 A338 | L314-Y318 HydrophobicContact CD1-CD2 4.11Å; L314-Y318 HydrophobicContact CD1-CE2 3.59Å; L314-Y318 HydrophobicContact CG-CD2 3.86Å; L314-Y318 HydrophobicContact CG-CE2 3.8Å; L314-Y318 VanDerWaalsContact O-CD2 3.28Å; L314-Y318 WeakPolarHBondContact O-CD2 3.49Å; L314-Y318 PolarHBondContact O-N 3.5Å; G315-Y318 PolarHBondContact O-N 3.23Å; Y318-H320 VanDerWaalsContact C-N 3.32Å; Y318-R321 PolarHBondContact O-N 3.21Å; Y318-L322 WeakPolarHBondContact O-CB 3.29Å; Y318-L322 PolarHBondContact O-N 2.92Å; Y318-A334 HydrophobicContact CD1-CB 4.09Å; Y318-A334 HydrophobicContact CE1-CB 3.39Å; Y318-F335 HydrophobicContact CD1-CB 4.39Å; Y318-F335 HydrophobicContact CD2-CB 3.86Å; Y318-F335 AromaticContact CD2-CD2 3.96Å; Y318-F335 HydrophobicContact CD2-CD2 3.96Å; Y318-F335 HydrophobicContact CD2-CG 4.42Å; Y318-F335 HydrophobicContact CE2-CB 4.49Å; Y318-F335 HydrophobicContact CG-CB 3.8Å; Y318-F335 HydrophobicContact CG-CD2 4.49Å; Y318-A338 HydrophobicContact CE2-CB 3.89Å |
| 319 | E | 94 | Very high | 92.4 | Very high | 81 Ų | 81 | 75.6 Ų | 75.6 | 38% | 0.379 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 170 | -174.2 | -177.1 | -178.2 | 0 | 0 | 111 | M292 G315 L322 N323 | M292-E319 HydrophobicContact CG-CB 4.22Å; G315-E319 WeakPolarHBondContact O-CB 3.3Å; G315-E319 PolarHBondContact O-N 3.48Å; E319-L322 PolarHBondContact O-N 2.85Å; E319-N323 PolarHBondContact O-N 3.34Å; E319-N323 VanDerWaalsContact O-N 3.15Å; E319-N323 PolarHBondContact O-ND2 3.04Å |
| 320 | H | 93.7 | Very high | 92.5 | Very high | 117 Ų | 117 | 74.2 Ų | 74.2 | 54% | 0.542 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.4 | -47 | 175 | -175.4 | 60.9 | 0 | 0 | 0 | 111.8 | A316 E317 Y318 L322 N323 L324 | A316-H320 WeakPolarHBondContact O-CB 3.27Å; A316-H320 PolarHBondContact O-N 3.08Å; E317-H320 PolarHBondContact O-N 3.23Å; Y318-H320 VanDerWaalsContact C-N 3.32Å; H320-L322 VanDerWaalsContact C-N 3.31Å; H320-L322 PolarHBondContact O-N 2.98Å; H320-N323 PolarHBondContact O-N 3.31Å; H320-L324 WeakPolarHBondContact NE2-CD1 3.4Å; H320-L324 PolarHBondContact O-N 3.48Å |
| 321 | R | 94.8 | Very high | 92.6 | Very high | 111 Ų | 111 | 71.4 Ų | 71.4 | 42% | 0.419 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 176.3 | -69.9 | 173.4 | 179.8 | -160.6 | -0.4 | 112 | E317 Y318 N323 L324 G325 | E317-R321 WeakPolarHBondContact O-CG 3.47Å; E317-R321 PolarHBondContact O-N 3.23Å; E317-R321 IonicContact OE1-CZ 2.82Å; E317-R321 IonicContact OE1-NE 3.5Å; E317-R321 PolarHBondContact OE1-NE 2.85Å; E317-R321 IonicContact OE1-NH2 3.66Å; E317-R321 PolarHBondContact OE1-NH2 3.14Å; Y318-R321 PolarHBondContact O-N 3.21Å; R321-N323 VanDerWaalsContact C-N 3.34Å; R321-N323 PolarHBondContact O-N 3.17Å; R321-L324 PolarHBondContact O-N 2.94Å; R321-G325 PolarHBondContact O-N 3.34Å |
| 322 | L | 93.3 | Very high | 92.7 | Very high | 10 Ų | 10 | 71.3 Ų | 71.3 | 5% | 0.052 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 176.6 | 174.4 | 66.8 | 0 | 0 | 0 | 111.9 | P288 N289 M292 Y318 E319 H320 L324 G325 P328 H331 | P288-L322 HydrophobicContact CB-CD1 3.95Å; P288-L322 HydrophobicContact CB-CD2 3.9Å; P288-L322 HydrophobicContact CB-CG 4.41Å; P288-L322 HydrophobicContact CG-CD1 4.22Å; P288-L322 HydrophobicContact CG-CD2 4.33Å; N289-L322 VanDerWaalsContact OD1-CD2 3.28Å; N289-L322 WeakPolarHBondContact OD1-CD2 3.32Å; M292-L322 HydrophobicContact CB-CD2 4.3Å; Y318-L322 WeakPolarHBondContact O-CB 3.29Å; Y318-L322 PolarHBondContact O-N 2.92Å; E319-L322 PolarHBondContact O-N 2.85Å; H320-L322 VanDerWaalsContact C-N 3.31Å; H320-L322 PolarHBondContact O-N 2.98Å; L322-L324 VanDerWaalsContact C-N 3.33Å; L322-L324 PolarHBondContact O-N 3.36Å; L322-G325 PolarHBondContact O-N 3.31Å; L322-P328 VanDerWaalsContact CD1-CA 3.45Å; L322-P328 HydrophobicContact CD1-CB 3.47Å; L322-P328 VanDerWaalsContact CD1-CB 3.47Å; L322-H331 HydrophobicContact CB-CB 4.04Å; L322-H331 HydrophobicContact CD1-CB 4.11Å |
| 323 | N | 87.3 | Confident | 92.7 | Very high | 92 Ų | 92 | 69.3 Ų | 69.3 | 49% | 0.492 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -70.5 | -27.2 | 178.6 | -73.9 | -58.4 | 0 | 0 | 0 | 113.2 | N289 E319 H320 R321 | N289-N323 PolarHBondContact ND2-OD1 3.1Å; N289-N323 VanDerWaalsContact ND2-OD1 3.08Å; N289-N323 PolarHBondContact OD1-OD1 3.16Å; E319-N323 PolarHBondContact O-N 3.34Å; E319-N323 VanDerWaalsContact O-N 3.15Å; E319-N323 PolarHBondContact O-ND2 3.04Å; H320-N323 PolarHBondContact O-N 3.31Å; R321-N323 VanDerWaalsContact C-N 3.34Å; R321-N323 PolarHBondContact O-N 3.17Å |
| 324 | L | 89.1 | Confident | 92.7 | Very high | 130 Ų | 130 | 64 Ų | 64 | 68% | 0.681 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -84.6 | -28 | 175.7 | -66.9 | 177.9 | 0 | 0 | 0 | 112.9 | H320 R321 L322 | H320-L324 WeakPolarHBondContact NE2-CD1 3.4Å; H320-L324 PolarHBondContact O-N 3.48Å; R321-L324 PolarHBondContact O-N 2.94Å; L322-L324 VanDerWaalsContact C-N 3.33Å; L322-L324 PolarHBondContact O-N 3.36Å |
| 325 | G | 87.3 | Confident | 92.7 | Very high | 30 Ų | 30 | 63.2 Ų | 63.2 | 31% | 0.309 | 32% | 0.32 | S | S | . | . | trans | -83.2 | 163.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | R321 L322 | R321-G325 PolarHBondContact O-N 3.34Å; L322-G325 PolarHBondContact O-N 3.31Å | ||
| 326 | Q | 82.1 | Confident | 92.8 | Very high | 191 Ų | 191 | 63.1 Ų | 63.1 | 89% | 0.893 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -97.5 | -30.5 | 176.1 | -66.4 | -178 | 0.6 | 0 | 0 | 113.2 | P328 | Q326-P328 WeakPolarHBondContact O-CD 3.48Š|
| 327 | K | 91.8 | Very high | 92.8 | Very high | 133 Ų | 133 | 64 Ų | 64 | 58% | 0.578 | 32% | 0.315 | S | S | * | . | trans | -105.5 | 98.6 | -176 | -75.2 | -176.7 | 173.9 | -176 | 0 | 109.9 | I329 F330 H331 | K327-I329 VanDerWaalsContact C-N 3.29Å; K327-I329 PolarHBondContact O-N 3.22Å; K327-F330 HydrophobicContact CB-CD2 3.61Å; K327-F330 HydrophobicContact CB-CE2 3.88Å; K327-F330 HydrophobicContact CD-CD2 4Å; K327-F330 HydrophobicContact CD-CE2 3.33Å; K327-F330 HydrophobicContact CD-CZ 4.09Å; K327-F330 HydrophobicContact CG-CD2 4.45Å; K327-F330 HydrophobicContact CG-CE2 4.24Å; K327-F330 PolarHBondContact O-N 3.34Å; K327-H331 PolarHBondContact O-CD2 3.25Å; K327-H331 VanDerWaalsContact O-CD2 3.31Å | ||
| 328 | P | 91.3 | Very high | 92.7 | Very high | 40 Ų | 40 | 61 Ų | 61 | 26% | 0.26 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.3 | -33.1 | -170.7 | 25.2 | -35.1 | 0 | 0 | 0 | 113.2 | L282 P288 L322 Q326 F330 H331 L332 | L282-P328 HydrophobicContact CD1-CG 4.24Å; L282-P328 HydrophobicContact CD2-CG 4.29Å; P288-P328 HydrophobicContact CB-CB 3.67Å; P288-P328 HydrophobicContact CG-CB 3.9Å; L322-P328 VanDerWaalsContact CD1-CA 3.45Å; L322-P328 HydrophobicContact CD1-CB 3.47Å; L322-P328 VanDerWaalsContact CD1-CB 3.47Å; Q326-P328 WeakPolarHBondContact O-CD 3.48Å; P328-F330 VanDerWaalsContact C-N 3.31Å; P328-F330 PolarHBondContact O-N 3.12Å; P328-H331 PolarHBondContact O-N 3.34Å; P328-H331 VanDerWaalsContact O-N 3.13Å; P328-L332 PolarHBondContact O-N 2.81Å; P328-L332 VanDerWaalsContact O-N 3.09Å |
| 329 | I | 93.5 | Very high | 92.6 | Very high | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.051 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.5 | -40.9 | -177.1 | -173.3 | 68.7 | 0 | 0 | 0 | 113.2 | L278 Y279 L282 K327 H331 L332 E333 | L278-I329 HydrophobicContact CB-CD1 4.03Å; Y279-I329 HydrophobicContact CD1-CD1 4.48Å; Y279-I329 HydrophobicContact CD2-CD1 3.72Å; Y279-I329 HydrophobicContact CD2-CG1 4.06Å; Y279-I329 HydrophobicContact CE1-CB 4.45Å; Y279-I329 HydrophobicContact CE1-CD1 4.48Å; Y279-I329 HydrophobicContact CE1-CG1 4.19Å; Y279-I329 HydrophobicContact CE2-CD1 3.71Å; Y279-I329 HydrophobicContact CE2-CG1 3.49Å; Y279-I329 VanDerWaalsContact CE2-CG1 3.49Å; Y279-I329 HydrophobicContact CG-CD1 4.12Å; L282-I329 HydrophobicContact CD1-CB 4.12Å; L282-I329 HydrophobicContact CD1-CD1 4.14Å; K327-I329 VanDerWaalsContact C-N 3.29Å; K327-I329 PolarHBondContact O-N 3.22Å; I329-H331 VanDerWaalsContact C-N 3.26Å; I329-H331 PolarHBondContact O-N 2.84Å; I329-L332 PolarHBondContact O-N 2.85Å; I329-E333 VanDerWaalsContact O-CB 3.28Å; I329-E333 WeakPolarHBondContact O-CB 3.46Å; I329-E333 PolarHBondContact O-N 3.34Å |
| 330 | F | 93.6 | Very high | 92.6 | Very high | 101 Ų | 101 | 56 Ų | 56 | 44% | 0.443 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.6 | -33.6 | -178.4 | -62.4 | -40.8 | 0 | 0 | 0 | 111.9 | K327 P328 A334 | K327-F330 HydrophobicContact CB-CD2 3.61Å; K327-F330 HydrophobicContact CB-CE2 3.88Å; K327-F330 HydrophobicContact CD-CD2 4Å; K327-F330 HydrophobicContact CD-CE2 3.33Å; K327-F330 HydrophobicContact CD-CZ 4.09Å; K327-F330 HydrophobicContact CG-CD2 4.45Å; K327-F330 HydrophobicContact CG-CE2 4.24Å; K327-F330 PolarHBondContact O-N 3.34Å; P328-F330 VanDerWaalsContact C-N 3.31Å; P328-F330 PolarHBondContact O-N 3.12Å; F330-A334 WeakPolarHBondContact O-CB 3.34Å; F330-A334 PolarHBondContact O-N 3.46Å |
| 331 | H | 94.8 | Very high | 92.6 | Very high | 42 Ų | 42 | 53.4 Ų | 53.4 | 19% | 0.194 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -75 | -39.7 | 178 | -58.8 | -63.7 | 0 | 0 | 0 | 111.7 | L322 K327 P328 I329 F335 | L322-H331 HydrophobicContact CB-CB 4.04Å; L322-H331 HydrophobicContact CD1-CB 4.11Å; K327-H331 PolarHBondContact O-CD2 3.25Å; K327-H331 VanDerWaalsContact O-CD2 3.31Å; P328-H331 PolarHBondContact O-N 3.34Å; P328-H331 VanDerWaalsContact O-N 3.13Å; I329-H331 VanDerWaalsContact C-N 3.26Å; I329-H331 PolarHBondContact O-N 2.84Å; H331-F335 WeakPolarHBondContact O-CB 3.34Å; H331-F335 PolarHBondContact O-N 3.33Å |
| 332 | L | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.4 | -44.5 | 175.7 | -64.8 | 174.6 | 0 | 0 | 0 | 111.7 | L278 L282 P288 I291 M292 P328 I329 F335 V336 | L278-L332 HydrophobicContact CD1-CB 3.97Å; L282-L332 HydrophobicContact CD1-CD1 4.36Å; L282-L332 HydrophobicContact CD2-CD1 4.41Å; P288-L332 HydrophobicContact CB-CD1 4.46Å; I291-L332 HydrophobicContact CG2-CD1 4.03Å; I291-L332 HydrophobicContact CG2-CD2 4.16Å; M292-L332 HydrophobicContact CB-CD2 4.07Å; M292-L332 HydrophobicContact SD-CD2 3.91Å; P328-L332 PolarHBondContact O-N 2.81Å; P328-L332 VanDerWaalsContact O-N 3.09Å; I329-L332 PolarHBondContact O-N 2.85Å; L332-F335 WeakPolarHBondContact O-CB 3.1Å; L332-F335 PolarHBondContact O-N 2.9Å; L332-V336 WeakPolarHBondContact O-CG2 3.3Å; L332-V336 PolarHBondContact O-N 3.33Å |
| 333 | E | 94.2 | Very high | 92.3 | Very high | 35 Ų | 35 | 52 Ų | 52 | 16% | 0.164 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 176 | 178.4 | 177.8 | -154.3 | 0 | 0 | 111.3 | R275 I329 F335 V336 I337 | R275-E333 WeakPolarHBondContact CD-OE1 3.22Å; R275-E333 IonicContact CZ-OE1 2.92Å; R275-E333 IonicContact CZ-OE2 2.97Å; R275-E333 IonicContact NH1-OE1 3.93Å; R275-E333 PolarHBondContact NH1-OE1 2.91Å; R275-E333 IonicContact NH1-OE2 3.95Å; R275-E333 PolarHBondContact NH1-OE2 3.4Å; I329-E333 VanDerWaalsContact O-CB 3.28Å; I329-E333 WeakPolarHBondContact O-CB 3.46Å; I329-E333 PolarHBondContact O-N 3.34Å; E333-F335 VanDerWaalsContact C-N 3.28Å; E333-F335 PolarHBondContact O-N 3.05Å; E333-V336 PolarHBondContact O-N 3.5Å; E333-V336 VanDerWaalsContact O-N 3.17Å; E333-I337 HydrophobicContact CG-CD1 3.79Å; E333-I337 HydrophobicContact CG-CG1 4.43Å; E333-I337 VanDerWaalsContact O-CG1 3.31Å; E333-I337 WeakPolarHBondContact O-CG1 3.31Å; E333-I337 PolarHBondContact O-N 3.39Å |
| 334 | A | 94.5 | Very high | 92.4 | Very high | 31 Ų | 31 | 52.4 Ų | 52.4 | 26% | 0.256 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.5 | -37 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y318 F330 A338 | Y318-A334 HydrophobicContact CD1-CB 4.09Å; Y318-A334 HydrophobicContact CE1-CB 3.39Å; F330-A334 WeakPolarHBondContact O-CB 3.34Å; F330-A334 PolarHBondContact O-N 3.46Å; A334-A338 VanDerWaalsContact O-CB 3.25Å; A334-A338 WeakPolarHBondContact O-CB 3.39Å; A334-A338 PolarHBondContact O-N 2.97Å |
| 335 | F | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.1 | -49.5 | 172.2 | 168.4 | -108.5 | 0 | 0 | 0 | 112.1 | M292 L295 V296 L299 L311 L314 Y318 H331 L332 E333 I337 A338 F339 | M292-F335 HydrophobicContact CE-CB 3.94Å; M292-F335 HydrophobicContact CE-CD1 3.73Å; M292-F335 HydrophobicContact CE-CD2 3.3Å; M292-F335 HydrophobicContact CE-CE1 4.02Å; M292-F335 HydrophobicContact CE-CE2 3.61Å; M292-F335 HydrophobicContact CE-CG 3.36Å; M292-F335 HydrophobicContact CE-CZ 3.95Å; M292-F335 HydrophobicContact SD-CB 4.22Å; M292-F335 HydrophobicContact SD-CD1 3.82Å; M292-F335 HydrophobicContact SD-CD2 4.43Å; M292-F335 HydrophobicContact SD-CE1 4.28Å; M292-F335 HydrophobicContact SD-CG 3.9Å; L295-F335 HydrophobicContact CB-CE1 4.21Å; V296-F335 HydrophobicContact CG2-CE1 4.27Å; V296-F335 HydrophobicContact CG2-CE2 4.11Å; V296-F335 HydrophobicContact CG2-CZ 3.58Å; L299-F335 HydrophobicContact CD1-CE1 4.24Å; L299-F335 HydrophobicContact CD1-CZ 4.26Å; L311-F335 HydrophobicContact CD1-CE2 3.94Å; L311-F335 HydrophobicContact CD1-CZ 3.73Å; L314-F335 HydrophobicContact CB-CE2 4.44Å; L314-F335 HydrophobicContact CD2-CD2 3.87Å; L314-F335 HydrophobicContact CD2-CE2 3.96Å; L314-F335 HydrophobicContact CG-CD2 4.03Å; L314-F335 HydrophobicContact CG-CE2 4.26Å; Y318-F335 HydrophobicContact CD1-CB 4.39Å; Y318-F335 HydrophobicContact CD2-CB 3.86Å; Y318-F335 AromaticContact CD2-CD2 3.96Å; Y318-F335 HydrophobicContact CD2-CD2 3.96Å; Y318-F335 HydrophobicContact CD2-CG 4.42Å; Y318-F335 HydrophobicContact CE2-CB 4.49Å; Y318-F335 HydrophobicContact CG-CB 3.8Å; Y318-F335 HydrophobicContact CG-CD2 4.49Å; H331-F335 WeakPolarHBondContact O-CB 3.34Å; H331-F335 PolarHBondContact O-N 3.33Å; L332-F335 WeakPolarHBondContact O-CB 3.1Å; L332-F335 PolarHBondContact O-N 2.9Å; E333-F335 VanDerWaalsContact C-N 3.28Å; E333-F335 PolarHBondContact O-N 3.05Å; F335-I337 PolarHBondContact O-N 2.77Å; F335-A338 PolarHBondContact O-N 3.48Å; F335-F339 WeakPolarHBondContact O-CB 3.16Å; F335-F339 PolarHBondContact O-N 3.42Å |
| 336 | V | 95.2 | Very high | 92.5 | Very high | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 179.4 | 172 | 0 | 0 | 0 | 0 | 111.1 | I262 V274 L278 L332 E333 F339 M340 | I262-V336 HydrophobicContact CD1-CG1 4.1Å; I262-V336 HydrophobicContact CD1-CG2 3.99Å; I262-V336 HydrophobicContact CG1-CG1 4.12Å; V274-V336 HydrophobicContact CG1-CG1 3.98Å; V274-V336 HydrophobicContact CG1-CG2 4.2Å; L278-V336 HydrophobicContact CD1-CG2 4.13Å; L332-V336 WeakPolarHBondContact O-CG2 3.3Å; L332-V336 PolarHBondContact O-N 3.33Å; E333-V336 PolarHBondContact O-N 3.5Å; E333-V336 VanDerWaalsContact O-N 3.17Å; V336-F339 PolarHBondContact O-N 2.84Å; V336-M340 HydrophobicContact CG1-CE 3.99Å; V336-M340 HydrophobicContact CG1-CG 4.32Å; V336-M340 HydrophobicContact CG1-SD 4.05Å; V336-M340 WeakPolarHBondContact O-CB 3.06Å; V336-M340 WeakPolarHBondContact O-CG 3.47Å; V336-M340 PolarHBondContact O-N 2.91Å |
| 337 | I | 95.5 | Very high | 92.8 | Very high | 73 Ų | 73 | 49.5 Ų | 49.5 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.5 | -47.4 | 178.7 | -67.2 | 170.1 | 0 | 0 | 0 | 110.6 | I271 E333 F335 F339 M340 A341 | I271-I337 HydrophobicContact CD1-CG1 4.04Å; I271-I337 HydrophobicContact CG1-CG1 4.35Å; I271-I337 HydrophobicContact CG2-CD1 4.05Å; I271-I337 HydrophobicContact CG2-CG1 3.72Å; E333-I337 HydrophobicContact CG-CD1 3.79Å; E333-I337 HydrophobicContact CG-CG1 4.43Å; E333-I337 VanDerWaalsContact O-CG1 3.31Å; E333-I337 WeakPolarHBondContact O-CG1 3.31Å; E333-I337 PolarHBondContact O-N 3.39Å; F335-I337 PolarHBondContact O-N 2.77Å; I337-F339 VanDerWaalsContact C-N 3.33Å; I337-F339 PolarHBondContact O-N 3.29Å; I337-M340 PolarHBondContact O-N 2.55Å; I337-A341 WeakPolarHBondContact O-CB 3.44Å; I337-A341 PolarHBondContact O-N 3.02Å |
| 338 | A | 94.7 | Very high | 92.6 | Very high | 20 Ų | 20 | 47.9 Ų | 47.9 | 17% | 0.165 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.8 | -38 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | L314 Y318 A334 F335 A341 I342 | L314-A338 HydrophobicContact CD1-CB 3.83Å; L314-A338 HydrophobicContact CD2-CB 3.91Å; L314-A338 HydrophobicContact CG-CB 4.34Å; Y318-A338 HydrophobicContact CE2-CB 3.89Å; A334-A338 VanDerWaalsContact O-CB 3.25Å; A334-A338 WeakPolarHBondContact O-CB 3.39Å; A334-A338 PolarHBondContact O-N 2.97Å; F335-A338 PolarHBondContact O-N 3.48Å; A338-A341 PolarHBondContact O-N 3.23Å; A338-I342 WeakPolarHBondContact O-CG1 3.43Å; A338-I342 PolarHBondContact O-N 3.22Å; A338-I342 VanDerWaalsContact O-N 3.12Å |
| 339 | F | 94.3 | Very high | 92.3 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 1% | 0.013 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66 | -46.3 | 173.7 | 175.5 | -103.9 | 0 | 0 | 0 | 111.9 | I262 L263 L299 L311 L314 F335 V336 I337 A341 I342 Y343 | I262-F339 HydrophobicContact CG2-CD1 3.6Å; I262-F339 HydrophobicContact CG2-CE1 3.75Å; L263-F339 HydrophobicContact CD2-CE1 4.04Å; L263-F339 HydrophobicContact CD2-CZ 4.02Å; L299-F339 HydrophobicContact CB-CZ 4.39Å; L299-F339 HydrophobicContact CD1-CD1 3.85Å; L299-F339 HydrophobicContact CD1-CE1 3.87Å; L299-F339 HydrophobicContact CD1-CG 4.2Å; L299-F339 HydrophobicContact CD1-CZ 4.23Å; L299-F339 HydrophobicContact CD2-CD1 4.38Å; L299-F339 HydrophobicContact CD2-CE1 3.67Å; L299-F339 HydrophobicContact CD2-CZ 4.06Å; L299-F339 HydrophobicContact CG-CE1 4.28Å; L299-F339 HydrophobicContact CG-CZ 4.46Å; L311-F339 HydrophobicContact CB-CE2 4.42Å; L311-F339 HydrophobicContact CD1-CD2 3.61Å; L311-F339 HydrophobicContact CD1-CE2 3.9Å; L311-F339 HydrophobicContact CD1-CG 4.35Å; L311-F339 HydrophobicContact CD2-CE2 4.07Å; L311-F339 HydrophobicContact CG-CD2 4.46Å; L311-F339 HydrophobicContact CG-CE2 4.36Å; L314-F339 HydrophobicContact CD2-CB 3.87Å; F335-F339 WeakPolarHBondContact O-CB 3.16Å; F335-F339 PolarHBondContact O-N 3.42Å; V336-F339 PolarHBondContact O-N 2.84Å; I337-F339 VanDerWaalsContact C-N 3.33Å; I337-F339 PolarHBondContact O-N 3.29Å; F339-A341 VanDerWaalsContact C-N 3.27Å; F339-A341 PolarHBondContact O-N 2.87Å; F339-I342 PolarHBondContact O-N 3.12Å; F339-Y343 HydrophobicContact CE1-CG 4.45Å; F339-Y343 HydrophobicContact CZ-CD2 4.14Å; F339-Y343 HydrophobicContact CZ-CG 4.26Å; F339-Y343 VanDerWaalsContact O-CB 3.3Å; F339-Y343 WeakPolarHBondContact O-CB 3.43Å; F339-Y343 PolarHBondContact O-N 2.89Å |
| 340 | M | 93.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.025 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.2 | -38.5 | 177.1 | -77.3 | -177 | 167.2 | 0 | 0 | 112 | I262 Q266 K270 I271 V274 V336 I337 K344 | I262-M340 HydrophobicContact CB-CE 4.05Å; I262-M340 HydrophobicContact CG1-CE 4Å; I262-M340 HydrophobicContact CG2-CE 3.9Å; I262-M340 HydrophobicContact CG2-CG 3.91Å; Q266-M340 HydrophobicContact CB-CB 4.19Å; Q266-M340 HydrophobicContact CB-CG 4.49Å; Q266-M340 HydrophobicContact CG-CB 4.12Å; Q266-M340 HydrophobicContact CG-CG 4.21Å; K270-M340 HydrophobicContact CG-CE 4.35Å; I271-M340 HydrophobicContact CD1-SD 3.96Å; I271-M340 HydrophobicContact CG1-CE 4.29Å; I271-M340 HydrophobicContact CG1-SD 3.29Å; I271-M340 WeakPolarHBondContact CG1-SD 3.43Å; V274-M340 HydrophobicContact CG2-CE 4.27Å; V336-M340 HydrophobicContact CG1-CE 3.99Å; V336-M340 HydrophobicContact CG1-CG 4.32Å; V336-M340 HydrophobicContact CG1-SD 4.05Å; V336-M340 WeakPolarHBondContact O-CB 3.06Å; V336-M340 WeakPolarHBondContact O-CG 3.47Å; V336-M340 PolarHBondContact O-N 2.91Å; I337-M340 PolarHBondContact O-N 2.55Å; M340-K344 WeakPolarHBondContact O-CB 3.38Å; M340-K344 PolarHBondContact O-N 3.3Å |
| 341 | A | 92.7 | Very high | 91 | Very high | 61 Ų | 61 | 56 Ų | 56 | 50% | 0.504 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I337 A338 F339 R345 | I337-A341 WeakPolarHBondContact O-CB 3.44Å; I337-A341 PolarHBondContact O-N 3.02Å; A338-A341 PolarHBondContact O-N 3.23Å; F339-A341 VanDerWaalsContact C-N 3.27Å; F339-A341 PolarHBondContact O-N 2.87Å; A341-R345 WeakPolarHBondContact O-CB 3.47Å; A341-R345 PolarHBondContact O-N 3.41Å |
| 342 | I | 91.2 | Very high | 89.6 | Confident | 47 Ų | 47 | 55.7 Ų | 55.7 | 24% | 0.241 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 176.3 | -69.3 | 168 | 0 | 0 | 0 | 110.5 | L307 E310 L314 A338 F339 K344 R345 Y346 | L307-I342 HydrophobicContact CD2-CG2 3.82Å; E310-I342 WeakPolarHBondContact OE2-CG2 3.07Å; L314-I342 HydrophobicContact CD1-CD1 4.26Å; L314-I342 HydrophobicContact CD2-CD1 4.22Å; A338-I342 WeakPolarHBondContact O-CG1 3.43Å; A338-I342 PolarHBondContact O-N 3.22Å; A338-I342 VanDerWaalsContact O-N 3.12Å; F339-I342 PolarHBondContact O-N 3.12Å; I342-K344 PolarHBondContact O-N 3.05Å; I342-R345 PolarHBondContact O-N 3.14Å; I342-Y346 WeakPolarHBondContact O-CB 3.38Å; I342-Y346 PolarHBondContact O-N 2.83Å |
| 343 | Y | 91 | Very high | 87.4 | Confident | 45 Ų | 45 | 62.1 Ų | 62.1 | 18% | 0.176 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.9 | -40.7 | -178.7 | -169.3 | -110.4 | 0 | 0 | 0 | 111.7 | L263 Q266 L307 F339 Y346 I347 | L263-Y343 HydrophobicContact CD2-CD1 4.35Å; L263-Y343 HydrophobicContact CD2-CD2 4.34Å; L263-Y343 HydrophobicContact CD2-CE1 3.9Å; L263-Y343 HydrophobicContact CD2-CE2 3.93Å; Q266-Y343 HydrophobicContact CG-CD1 4.08Å; L307-Y343 HydrophobicContact CD1-CD2 3.68Å; L307-Y343 HydrophobicContact CD1-CE2 3.88Å; F339-Y343 HydrophobicContact CE1-CG 4.45Å; F339-Y343 HydrophobicContact CZ-CD2 4.14Å; F339-Y343 HydrophobicContact CZ-CG 4.26Å; F339-Y343 VanDerWaalsContact O-CB 3.3Å; F339-Y343 WeakPolarHBondContact O-CB 3.43Å; F339-Y343 PolarHBondContact O-N 2.89Å; Y343-Y346 PolarHBondContact O-N 3.48Å; Y343-I347 HydrophobicContact CD1-CD1 3.6Å; Y343-I347 HydrophobicContact CD1-CG1 4.48Å; Y343-I347 HydrophobicContact CE1-CD1 3.3Å; Y343-I347 HydrophobicContact CE1-CG1 4.24Å; Y343-I347 HydrophobicContact CG-CD1 4.41Å; Y343-I347 WeakPolarHBondContact O-CG1 3.19Å; Y343-I347 PolarHBondContact O-N 2.93Å |
| 344 | K | 90.4 | Very high | 85 | Confident | 101 Ų | 101 | 63.8 Ų | 63.8 | 44% | 0.439 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62 | -47 | 174.6 | -171.5 | -174.7 | -176.9 | -144.5 | 0 | 111.6 | Q266 M340 I342 Y346 I347 E348 | Q266-K344 HydrophobicContact CB-CB 4.09Å; Q266-K344 HydrophobicContact CB-CG 4.49Å; Q266-K344 HydrophobicContact CG-CB 4.31Å; M340-K344 WeakPolarHBondContact O-CB 3.38Å; M340-K344 PolarHBondContact O-N 3.3Å; I342-K344 PolarHBondContact O-N 3.05Å; K344-Y346 VanDerWaalsContact C-N 3.29Å; K344-Y346 PolarHBondContact O-N 3.25Å; K344-I347 PolarHBondContact O-N 3.32Å; K344-E348 WeakPolarHBondContact CE-OE1 2.79Å; K344-E348 IonicContact NZ-OE1 3.77Å; K344-E348 PolarHBondContact NZ-OE1 2.9Å; K344-E348 WeakPolarHBondContact O-CG 3.15Å; K344-E348 PolarHBondContact O-N 3.19Å |
| 345 | R | 90.1 | Very high | 82.6 | Confident | 168 Ų | 168 | 70.1 Ų | 70.1 | 63% | 0.634 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.2 | -42.5 | 175.6 | 180 | -178.8 | 174.1 | 178.8 | 2.6 | 111.4 | A341 I342 I347 E348 D349 | A341-R345 WeakPolarHBondContact O-CB 3.47Å; A341-R345 PolarHBondContact O-N 3.41Å; I342-R345 PolarHBondContact O-N 3.14Å; R345-I347 VanDerWaalsContact C-N 3.33Å; R345-I347 PolarHBondContact O-N 3.17Å; R345-E348 PolarHBondContact O-N 3.32Å; R345-D349 IonicContact NE-OD2 3.73Å; R345-D349 WeakPolarHBondContact O-CB 3.46Å; R345-D349 VanDerWaalsContact O-CG 3.27Å; R345-D349 PolarHBondContact O-N 2.88Å |
| 346 | Y | 87.9 | Confident | 80 | Confident | 69 Ų | 69 | 79.3 Ų | 79.3 | 27% | 0.271 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 176.9 | -177.8 | -97 | 0 | 0 | 0 | 112.5 | D304 L307 I342 Y343 K344 A350 | D304-Y346 PolarHBondContact OD2-OH 2.89Å; L307-Y346 HydrophobicContact CD1-CD1 3.33Å; L307-Y346 HydrophobicContact CD1-CD2 4.19Å; L307-Y346 HydrophobicContact CD1-CE1 3.61Å; L307-Y346 HydrophobicContact CD1-CE2 4.45Å; L307-Y346 HydrophobicContact CD1-CG 3.63Å; L307-Y346 HydrophobicContact CD2-CD1 4.38Å; L307-Y346 HydrophobicContact CD2-CD2 3.96Å; L307-Y346 HydrophobicContact CD2-CG 3.78Å; L307-Y346 HydrophobicContact CG-CD1 3.93Å; L307-Y346 HydrophobicContact CG-CD2 3.82Å; L307-Y346 HydrophobicContact CG-CE1 4.16Å; L307-Y346 HydrophobicContact CG-CE2 4.1Å; L307-Y346 HydrophobicContact CG-CG 3.73Å; I342-Y346 WeakPolarHBondContact O-CB 3.38Å; I342-Y346 PolarHBondContact O-N 2.83Å; Y343-Y346 PolarHBondContact O-N 3.48Å; K344-Y346 VanDerWaalsContact C-N 3.29Å; K344-Y346 PolarHBondContact O-N 3.25Å; Y346-A350 WeakPolarHBondContact O-CB 3.31Å; Y346-A350 PolarHBondContact O-N 3.49Å |
| 347 | I | 87.2 | Confident | 77.5 | Confident | 52 Ų | 52 | 94.1 Ų | 94.1 | 27% | 0.267 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 173.8 | -71.4 | 166.8 | 0 | 0 | 0 | 110.8 | Y343 K344 R345 A350 L351 | Y343-I347 HydrophobicContact CD1-CD1 3.6Å; Y343-I347 HydrophobicContact CD1-CG1 4.48Å; Y343-I347 HydrophobicContact CE1-CD1 3.3Å; Y343-I347 HydrophobicContact CE1-CG1 4.24Å; Y343-I347 HydrophobicContact CG-CD1 4.41Å; Y343-I347 WeakPolarHBondContact O-CG1 3.19Å; Y343-I347 PolarHBondContact O-N 2.93Å; K344-I347 PolarHBondContact O-N 3.32Å; R345-I347 VanDerWaalsContact C-N 3.33Å; R345-I347 PolarHBondContact O-N 3.17Å; I347-A350 PolarHBondContact O-N 2.83Å; I347-L351 HydrophobicContact CG2-CD1 3.49Å; I347-L351 VanDerWaalsContact CG2-CD1 3.49Å; I347-L351 HydrophobicContact CG2-CG 4.2Å; I347-L351 VanDerWaalsContact O-CB 3.31Å; I347-L351 WeakPolarHBondContact O-CB 3.39Å; I347-L351 VanDerWaalsContact O-CG 3.28Å; I347-L351 WeakPolarHBondContact O-CG 3.28Å; I347-L351 PolarHBondContact O-N 3.47Å |
| 348 | E | 87.8 | Confident | 76.6 | Confident | 99 Ų | 99 | 95.2 Ų | 95.2 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 176.8 | -71.6 | 169.7 | 178.8 | 0 | 0 | 111.3 | K344 R345 A350 G352 | K344-E348 WeakPolarHBondContact CE-OE1 2.79Å; K344-E348 IonicContact NZ-OE1 3.77Å; K344-E348 PolarHBondContact NZ-OE1 2.9Å; K344-E348 WeakPolarHBondContact O-CG 3.15Å; K344-E348 PolarHBondContact O-N 3.19Å; R345-E348 PolarHBondContact O-N 3.32Å; E348-A350 PolarHBondContact O-N 3.4Å; E348-G352 PolarHBondContact O-N 3.36Å; E348-G352 VanDerWaalsContact O-N 3.11Å |
| 349 | D | 85.6 | Confident | 75.7 | Confident | 109 Ų | 109 | 99.2 Ų | 99.2 | 58% | 0.583 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.6 | -36.8 | 176.4 | -70.9 | -22 | 0 | 0 | 0 | 111.7 | R345 G352 | R345-D349 IonicContact NE-OD2 3.73Å; R345-D349 WeakPolarHBondContact O-CB 3.46Å; R345-D349 VanDerWaalsContact O-CG 3.27Å; R345-D349 PolarHBondContact O-N 2.88Å; D349-G352 PolarHBondContact O-N 2.69Å |
| 350 | A | 80.9 | Confident | 74.6 | Confident | 74 Ų | 74 | 104.5 Ų | 104.5 | 61% | 0.612 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -76.6 | -36.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y346 I347 E348 G352 | Y346-A350 WeakPolarHBondContact O-CB 3.31Å; Y346-A350 PolarHBondContact O-N 3.49Å; I347-A350 PolarHBondContact O-N 2.83Å; E348-A350 PolarHBondContact O-N 3.4Å; A350-G352 PolarHBondContact O-N 3.11Å |
| 351 | L | 80 | Confident | 73.5 | Confident | 140 Ų | 140 | 110.4 Ų | 110.4 | 73% | 0.733 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -69 | -20.2 | 171.4 | -74.3 | 165.6 | 0 | 0 | 0 | 111.5 | I347 | I347-L351 HydrophobicContact CG2-CD1 3.49Å; I347-L351 VanDerWaalsContact CG2-CD1 3.49Å; I347-L351 HydrophobicContact CG2-CG 4.2Å; I347-L351 VanDerWaalsContact O-CB 3.31Å; I347-L351 WeakPolarHBondContact O-CB 3.39Å; I347-L351 VanDerWaalsContact O-CG 3.28Å; I347-L351 WeakPolarHBondContact O-CG 3.28Å; I347-L351 PolarHBondContact O-N 3.47Å |
| 352 | G | 64.1 | Low | 72.3 | Confident | 34 Ų | 34 | 113.4 Ų | 113.4 | 35% | 0.351 | 58% | 0.584 | S | S | . | * | trans | 75.4 | 159.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E348 D349 A350 G354 | E348-G352 PolarHBondContact O-N 3.36Å; E348-G352 VanDerWaalsContact O-N 3.11Å; D349-G352 PolarHBondContact O-N 2.69Å; A350-G352 PolarHBondContact O-N 3.11Å; G352-G354 PolarHBondContact O-N 3.4Å | ||
| 353 | S | 49.9 | Very low | 71.1 | Confident | 135 Ų | 135 | 117.9 Ų | 117.9 | 94% | 0.944 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -50.3 | 42.7 | 164.9 | 49.4 | 0 | 0 | 0 | 0 | 115.7 | ||
| 354 | G | 44 | Very low | 69.6 | Low | 70 Ų | 70 | 123.1 Ų | 123.1 | 72% | 0.722 | 64% | 0.637 | S | S | * | * | trans | -104 | -3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G352 | G352-G354 PolarHBondContact O-N 3.4Š| ||
| 355 | M | 42.3 | Very low | 68.1 | Low | 164 Ų | 164 | 124.8 Ų | 124.8 | 81% | 0.808 | 65% | 0.652 | S | S | * | * | trans | -122 | 81.6 | 172.1 | -83.9 | 179.1 | 160.8 | 0 | 0 | 109.4 | W357 | M355-W357 PolarHBondContact O-N 3.41Š| ||
| 356 | E | 41.8 | Very low | 66.2 | Low | 194 Ų | 194 | 121.2 Ų | 121.2 | 91% | 0.907 | 65% | 0.654 | S | S | * | * | trans | -57.3 | 121.2 | 147.2 | -67.5 | -179.1 | 159.9 | 0 | 0 | 106.6 | ||||
| 357 | W | 43.4 | Very low | 64.3 | Low | 314 Ų | 314 | 125.9 Ų | 125.9 | 100% | 1.189 | 69% | 0.689 | S | S | * | * | trans | -75.3 | 0 | 176.2 | -72.1 | 69 | 0 | 0 | 0 | 111.2 | M355 | M355-W357 PolarHBondContact O-N 3.41Š|
Retrieved 357 of 357 residues in 145.9 ms
(Link to these results)