| 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 | 33.3 | Very low | 68.5 | Low | 233 Ų | 233 | 101.5 Ų | 101.5 | 100% | 1.148 | 51% | 0.51 | S | S | * | . | 0 | 122.8 | 0 | -75.5 | 162.2 | 63.3 | 0 | 0 | 108.9 | |||||
| 2 | S | 40.2 | Very low | 70.5 | Confident | 66 Ų | 66 | 99.9 Ų | 99.9 | 46% | 0.462 | 50% | 0.503 | S | S | . | . | trans | -1.7 | 114.9 | -175.2 | 66.7 | 0 | 0 | 0 | 0 | 120 | W4 R5 | S2-W4 PolarHBondContact O-N 3.02Å; S2-R5 PolarHBondContact O-N 3Å | ||
| 3 | G | 56.8 | Low | 72.1 | Confident | 49 Ų | 49 | 93 Ų | 93 | 51% | 0.505 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.5 | -16.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | S6 Q7 | G3-S6 PolarHBondContact O-OG 2.92Å; G3-S6 VanDerWaalsContact O-OG 3.13Å; G3-Q7 VanDerWaalsContact O-CG 3.26Å; G3-Q7 WeakPolarHBondContact O-CG 3.45Å; G3-Q7 PolarHBondContact O-N 2.76Å |
| 4 | W | 53.5 | Low | 73.7 | Confident | 234 Ų | 234 | 86.6 Ų | 86.6 | 89% | 0.886 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -71.5 | -36.9 | 175.4 | -83.8 | 71.9 | 0 | 0 | 0 | 113.5 | S2 G8 | S2-W4 PolarHBondContact O-N 3.02Å; W4-G8 PolarHBondContact O-N 2.7Å |
| 5 | R | 62.7 | Low | 75.2 | Confident | 201 Ų | 201 | 83.1 Ų | 83.1 | 76% | 0.758 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -70 | -33 | 178.1 | -71.2 | -176 | 179.7 | -174.3 | 0.8 | 111.9 | S2 R9 | S2-R5 PolarHBondContact O-N 3Å; R5-R9 PolarHBondContact O-N 2.9Å |
| 6 | S | 74.8 | Confident | 76.5 | Confident | 61 Ų | 61 | 77.9 Ų | 77.9 | 43% | 0.427 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -74 | -38 | 177.2 | 71 | 0 | 0 | 0 | 0 | 112.6 | G3 R9 L10 | G3-S6 PolarHBondContact O-OG 2.92Å; G3-S6 VanDerWaalsContact O-OG 3.13Å; S6-R9 PolarHBondContact O-N 3.37Å; S6-L10 PolarHBondContact O-N 2.89Å; S6-L10 VanDerWaalsContact O-N 3.09Å |
| 7 | Q | 79.5 | Confident | 77.7 | Confident | 75 Ų | 75 | 73.4 Ų | 73.4 | 35% | 0.35 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.4 | -42.5 | 175.3 | -67.3 | -64.2 | -37.7 | 0 | 0 | 111.9 | G3 R9 L10 L11 | G3-Q7 VanDerWaalsContact O-CG 3.26Å; G3-Q7 WeakPolarHBondContact O-CG 3.45Å; G3-Q7 PolarHBondContact O-N 2.76Å; Q7-R9 VanDerWaalsContact C-N 3.29Å; Q7-R9 PolarHBondContact O-N 2.73Å; Q7-L10 PolarHBondContact O-N 2.93Å; Q7-L11 WeakPolarHBondContact O-CB 3.27Å; Q7-L11 PolarHBondContact O-N 3.19Å |
| 8 | G | 83.9 | Confident | 78.7 | Confident | 31 Ų | 31 | 70.4 Ų | 70.4 | 32% | 0.32 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.3 | -39.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | W4 L11 L12 | W4-G8 PolarHBondContact O-N 2.7Å; G8-L11 WeakPolarHBondContact O-CB 3.45Å; G8-L11 PolarHBondContact O-N 3.39Å; G8-L12 VanDerWaalsContact O-CG 3.29Å; G8-L12 WeakPolarHBondContact O-CG 3.27Å; G8-L12 PolarHBondContact O-N 3.12Å |
| 9 | R | 88.7 | Confident | 79.6 | Confident | 83 Ų | 83 | 66.8 Ų | 66.8 | 31% | 0.313 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 174.8 | -171.8 | -178.8 | -179.5 | 175.6 | 6.4 | 112.7 | R5 S6 Q7 L11 L12 L13 V209 E212 | R5-R9 PolarHBondContact O-N 2.9Å; S6-R9 PolarHBondContact O-N 3.37Å; Q7-R9 VanDerWaalsContact C-N 3.29Å; Q7-R9 PolarHBondContact O-N 2.73Å; R9-L11 VanDerWaalsContact C-N 3.26Å; R9-L11 PolarHBondContact O-N 3.22Å; R9-L12 PolarHBondContact O-N 3Å; R9-L13 WeakPolarHBondContact O-CB 3.32Å; R9-L13 PolarHBondContact O-N 3.23Å; R9-V209 HydrophobicContact CG-CG1 3.82Å; R9-E212 VanDerWaalsContact NH2-C 3.28Å; R9-E212 PolarHBondContact NH2-O 3.24Å |
| 10 | L | 89.1 | Confident | 80.5 | Confident | 6 Ų | 6 | 63.5 Ų | 63.5 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 175.5 | -81.1 | 169.5 | 0 | 0 | 0 | 111.9 | S6 Q7 L13 N14 Y143 A152 M155 | S6-L10 PolarHBondContact O-N 2.89Å; S6-L10 VanDerWaalsContact O-N 3.09Å; Q7-L10 PolarHBondContact O-N 2.93Å; L10-L13 PolarHBondContact O-N 3.4Å; L10-N14 PolarHBondContact O-N 3.25Å; L10-N14 VanDerWaalsContact O-N 3.12Å; L10-N14 PolarHBondContact O-ND2 3.4Å; L10-Y143 HydrophobicContact CD2-CD2 4.13Å; L10-Y143 HydrophobicContact CD2-CE1 3.84Å; L10-Y143 HydrophobicContact CD2-CE2 3.41Å; L10-Y143 VanDerWaalsContact CD2-CE2 3.41Å; L10-Y143 VanDerWaalsContact CD2-OH 3.28Å; L10-Y143 WeakPolarHBondContact CD2-OH 3.34Å; L10-Y143 HydrophobicContact CG-CE1 4.32Å; L10-Y143 HydrophobicContact CG-CE2 4.46Å; L10-Y143 WeakPolarHBondContact CG-OH 3.46Å; L10-A152 HydrophobicContact CD2-CB 3.83Å; L10-M155 HydrophobicContact CB-CG 4.16Å |
| 11 | L | 91.3 | Very high | 81.2 | Confident | 78 Ų | 78 | 61.5 Ų | 61.5 | 41% | 0.408 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.9 | -47.8 | 178.3 | -157.7 | 154.5 | 0 | 0 | 0 | 110.8 | Q7 G8 R9 N14 S15 M159 | Q7-L11 WeakPolarHBondContact O-CB 3.27Å; Q7-L11 PolarHBondContact O-N 3.19Å; G8-L11 WeakPolarHBondContact O-CB 3.45Å; G8-L11 PolarHBondContact O-N 3.39Å; R9-L11 VanDerWaalsContact C-N 3.26Å; R9-L11 PolarHBondContact O-N 3.22Å; L11-N14 PolarHBondContact O-N 3.28Å; L11-S15 PolarHBondContact O-N 2.87Å; L11-M159 HydrophobicContact CB-CE 4.26Å; L11-M159 HydrophobicContact CD1-CE 4.21Å; L11-M159 HydrophobicContact CD2-CE 3.27Å; L11-M159 HydrophobicContact CG-CE 3.25Å |
| 12 | L | 92.2 | Very high | 84.1 | Confident | 82 Ų | 82 | 50.9 Ų | 50.9 | 43% | 0.429 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 177 | -65.4 | 168.8 | 0 | 0 | 0 | 112.5 | G8 R9 N14 S15 V205 T206 V209 | G8-L12 VanDerWaalsContact O-CG 3.29Å; G8-L12 WeakPolarHBondContact O-CG 3.27Å; G8-L12 PolarHBondContact O-N 3.12Å; R9-L12 PolarHBondContact O-N 3Å; L12-N14 VanDerWaalsContact C-N 3.33Å; L12-N14 PolarHBondContact O-N 3.01Å; L12-S15 WeakPolarHBondContact O-CB 3.31Å; L12-S15 PolarHBondContact O-N 3.44Å; L12-S15 VanDerWaalsContact O-N 3.15Å; L12-V205 HydrophobicContact CB-CG1 3.94Å; L12-V205 HydrophobicContact CD2-CG1 3.75Å; L12-V205 HydrophobicContact CG-CG1 4.43Å; L12-T206 PolarHBondContact O-OG1 3.41Å; L12-V209 HydrophobicContact CB-CG1 4.44Å; L12-V209 HydrophobicContact CB-CG2 3.84Å; L12-V209 HydrophobicContact CD1-CG2 4.21Å |
| 13 | L | 91.8 | Very high | 86.7 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 5% | 0.052 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.4 | -42 | 177.3 | -177.4 | 67.2 | 0 | 0 | 0 | 111.5 | R9 L10 S15 L139 L142 Y143 T206 V209 | R9-L13 WeakPolarHBondContact O-CB 3.32Å; R9-L13 PolarHBondContact O-N 3.23Å; L10-L13 PolarHBondContact O-N 3.4Å; L13-S15 PolarHBondContact O-N 3.02Å; L13-L139 HydrophobicContact CD2-CD1 3.49Å; L13-L139 VanDerWaalsContact CD2-CD1 3.49Å; L13-L139 HydrophobicContact CG-CD1 4.38Å; L13-L142 HydrophobicContact CD1-CD1 3.69Å; L13-L142 HydrophobicContact CD2-CD1 3.61Å; L13-L142 HydrophobicContact CG-CD1 4.31Å; L13-Y143 HydrophobicContact CD2-CE2 3.75Å; L13-T206 HydrophobicContact CD1-CG2 4.46Å; L13-T206 VanDerWaalsContact O-CG2 3.24Å; L13-T206 WeakPolarHBondContact O-CG2 3.4Å; L13-T206 PolarHBondContact O-OG1 3.49Å; L13-V209 HydrophobicContact CB-CG1 4.31Å |
| 14 | N | 94.4 | Very high | 88.4 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 9.8 | 177.2 | -68 | -65.3 | 0 | 0 | 0 | 113.5 | L10 L11 L12 L16 T17 C18 F156 M159 | L10-N14 PolarHBondContact O-N 3.25Å; L10-N14 VanDerWaalsContact O-N 3.12Å; L10-N14 PolarHBondContact O-ND2 3.4Å; L11-N14 PolarHBondContact O-N 3.28Å; L12-N14 VanDerWaalsContact C-N 3.33Å; L12-N14 PolarHBondContact O-N 3.01Å; N14-L16 VanDerWaalsContact C-N 3.34Å; N14-L16 PolarHBondContact O-N 2.89Å; N14-T17 WeakPolarHBondContact O-CB 3.36Å; N14-T17 PolarHBondContact O-N 3.08Å; N14-C18 PolarHBondContact O-N 2.92Å; N14-F156 WeakPolarHBondContact OD1-CD2 3.11Å; N14-M159 HydrophobicContact CB-CB 4.03Å; N14-M159 HydrophobicContact CB-CG 3.67Å |
| 15 | S | 95.6 | Very high | 90.1 | Very high | 34 Ų | 34 | 35 Ų | 35 | 24% | 0.238 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.4 | -43.3 | 178.2 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | L11 L12 L13 T17 C18 G19 S202 | L11-S15 PolarHBondContact O-N 2.87Å; L12-S15 WeakPolarHBondContact O-CB 3.31Å; L12-S15 PolarHBondContact O-N 3.44Å; L12-S15 VanDerWaalsContact O-N 3.15Å; L13-S15 PolarHBondContact O-N 3.02Å; S15-T17 VanDerWaalsContact C-N 3.35Å; S15-T17 PolarHBondContact O-N 3.02Å; S15-C18 WeakPolarHBondContact O-CB 3.47Å; S15-C18 PolarHBondContact O-N 3.49Å; S15-G19 PolarHBondContact O-N 3.48Å; S15-S202 WeakPolarHBondContact O-CB 3.5Å |
| 16 | L | 96.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.5 | -39.6 | 175 | 178.1 | 53.1 | 0 | 0 | 0 | 112.4 | N14 C18 G19 L20 I81 L135 F199 V203 T206 M207 | N14-L16 VanDerWaalsContact C-N 3.34Å; N14-L16 PolarHBondContact O-N 2.89Å; L16-C18 VanDerWaalsContact C-N 3.31Å; L16-C18 PolarHBondContact O-N 3.41Å; L16-G19 PolarHBondContact O-N 3.26Å; L16-L20 WeakPolarHBondContact O-CB 3.35Å; L16-L20 PolarHBondContact O-N 3.19Å; L16-I81 HydrophobicContact CD2-CG2 3.53Å; L16-L135 HydrophobicContact CB-CD2 4.43Å; L16-L135 HydrophobicContact CD2-CD2 3.75Å; L16-L135 HydrophobicContact CG-CD1 4.24Å; L16-L135 HydrophobicContact CG-CD2 4.1Å; L16-F199 HydrophobicContact CD1-CD2 4.39Å; L16-F199 HydrophobicContact CD1-CE2 3.7Å; L16-F199 HydrophobicContact CD1-CZ 3.93Å; L16-V203 HydrophobicContact CD1-CB 4.39Å; L16-V203 HydrophobicContact CD1-CG2 3.46Å; L16-V203 VanDerWaalsContact CD1-CG2 3.46Å; L16-V203 HydrophobicContact CD2-CG2 4.35Å; L16-T206 HydrophobicContact CB-CG2 3.94Å; L16-T206 WeakPolarHBondContact CB-OG1 3.21Å; L16-T206 HydrophobicContact CD2-CG2 4.26Å; L16-T206 PolarHBondContact N-OG1 3.39Å; L16-M207 HydrophobicContact CD2-CE 4.39Å |
| 17 | T | 96.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.9 | -45.2 | 175.1 | -51 | 0 | 0 | 0 | 0 | 111.2 | N14 S15 E21 F132 F156 V160 | N14-T17 WeakPolarHBondContact O-CB 3.36Å; N14-T17 PolarHBondContact O-N 3.08Å; S15-T17 VanDerWaalsContact C-N 3.35Å; S15-T17 PolarHBondContact O-N 3.02Å; T17-E21 PolarHBondContact O-N 2.88Å; T17-E21 VanDerWaalsContact O-N 3.07Å; T17-F132 HydrophobicContact CG2-CD1 4.16Å; T17-F132 HydrophobicContact CG2-CE1 3.75Å; T17-F156 HydrophobicContact CG2-CD1 4.41Å; T17-F156 HydrophobicContact CG2-CD2 3.76Å; T17-F156 HydrophobicContact CG2-CE1 4.16Å; T17-F156 HydrophobicContact CG2-CE2 3.46Å; T17-F156 VanDerWaalsContact CG2-CE2 3.46Å; T17-F156 HydrophobicContact CG2-CG 4.24Å; T17-F156 HydrophobicContact CG2-CZ 3.7Å; T17-F156 WeakPolarHBondContact OG1-CE2 3.36Å; T17-V160 HydrophobicContact CG2-CG2 3.47Å; T17-V160 VanDerWaalsContact CG2-CG2 3.47Å |
| 18 | C | 96.6 | Very high | 92.1 | Very high | 19 Ų | 19 | 23.2 Ų | 23.2 | 13% | 0.128 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.4 | -48.4 | 175.5 | -179.8 | 0 | 0 | 0 | 0 | 111.9 | N14 S15 L16 L20 E21 I22 M159 | N14-C18 PolarHBondContact O-N 2.92Å; S15-C18 WeakPolarHBondContact O-CB 3.47Å; S15-C18 PolarHBondContact O-N 3.49Å; L16-C18 VanDerWaalsContact C-N 3.31Å; L16-C18 PolarHBondContact O-N 3.41Å; C18-L20 VanDerWaalsContact C-N 3.31Å; C18-L20 PolarHBondContact O-N 3.09Å; C18-E21 PolarHBondContact O-N 2.81Å; C18-I22 VanDerWaalsContact O-CG1 3.27Å; C18-I22 WeakPolarHBondContact O-CG1 3.35Å; C18-I22 PolarHBondContact O-N 2.8Å; C18-M159 HydrophobicContact CB-CB 4.09Å; C18-M159 HydrophobicContact CB-CG 4.4Å; C18-M159 HydrophobicContact CB-SD 3.63Å |
| 19 | G | 96.6 | Very high | 92 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.7 | -37.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S15 L16 C23 | S15-G19 PolarHBondContact O-N 3.48Å; L16-G19 PolarHBondContact O-N 3.26Å; G19-C23 PolarHBondContact O-N 3.37Å; G19-C23 PolarHBondContact O-SG 2.84Å |
| 20 | L | 95.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.6 | -49 | 175.1 | -172.1 | 70.9 | 0 | 0 | 0 | 111 | L16 C18 I22 C23 V24 V88 G128 C131 F132 L135 F199 | L16-L20 WeakPolarHBondContact O-CB 3.35Å; L16-L20 PolarHBondContact O-N 3.19Å; C18-L20 VanDerWaalsContact C-N 3.31Å; C18-L20 PolarHBondContact O-N 3.09Å; L20-I22 VanDerWaalsContact C-N 3.33Å; L20-I22 PolarHBondContact O-N 2.78Å; L20-C23 WeakPolarHBondContact O-CB 3.33Å; L20-C23 PolarHBondContact O-N 3.29Å; L20-C23 VanDerWaalsContact O-N 3.13Å; L20-V24 WeakPolarHBondContact O-CG2 2.86Å; L20-V24 PolarHBondContact O-N 2.71Å; L20-V88 HydrophobicContact CD1-CG2 3.98Å; L20-G128 WeakPolarHBondContact CD2-O 3.09Å; L20-C131 HydrophobicContact CD1-CB 4.29Å; L20-C131 HydrophobicContact CD2-CB 3.75Å; L20-F132 HydrophobicContact CD2-CD1 4.17Å; L20-F132 HydrophobicContact CD2-CD2 4.06Å; L20-F132 HydrophobicContact CD2-CE1 3.98Å; L20-F132 HydrophobicContact CD2-CE2 3.85Å; L20-F132 HydrophobicContact CD2-CG 4.22Å; L20-F132 HydrophobicContact CD2-CZ 3.81Å; L20-F132 HydrophobicContact CG-CE2 4.36Å; L20-F132 HydrophobicContact CG-CZ 4.22Å; L20-L135 HydrophobicContact CD2-CD1 4.06Å; L20-F199 HydrophobicContact CB-CE2 4.17Å; L20-F199 HydrophobicContact CD1-CE2 3.68Å; L20-F199 HydrophobicContact CD1-CZ 4.12Å |
| 21 | E | 95.3 | Very high | 91.5 | Very high | 22 Ų | 22 | 21.4 Ų | 21.4 | 10% | 0.103 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64 | -37.8 | 178.5 | -171.7 | 66.2 | -171.9 | 0 | 0 | 112 | T17 C18 C23 V24 A25 F132 V160 | T17-E21 PolarHBondContact O-N 2.88Å; T17-E21 VanDerWaalsContact O-N 3.07Å; C18-E21 PolarHBondContact O-N 2.81Å; E21-C23 VanDerWaalsContact C-N 3.3Å; E21-C23 PolarHBondContact O-N 2.64Å; E21-V24 PolarHBondContact O-N 3.31Å; E21-A25 VanDerWaalsContact O-CB 3.25Å; E21-A25 WeakPolarHBondContact O-CB 3.39Å; E21-A25 PolarHBondContact O-N 2.86Å; E21-F132 HydrophobicContact CB-CZ 4.42Å; E21-F132 VanDerWaalsContact OE2-CZ 3.26Å; E21-F132 WeakPolarHBondContact OE2-CZ 3.43Å; E21-V160 HydrophobicContact CG-CG1 4.07Å; E21-V160 WeakPolarHBondContact CG-O 3.19Å |
| 22 | I | 94.8 | Very high | 91.1 | Very high | 10 Ų | 10 | 19 Ų | 19 | 5% | 0.051 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.7 | -45.7 | 172.5 | -70.4 | 168.1 | 0 | 0 | 0 | 110.6 | C18 L20 A26 G163 V166 L170 L195 I198 | C18-I22 VanDerWaalsContact O-CG1 3.27Å; C18-I22 WeakPolarHBondContact O-CG1 3.35Å; C18-I22 PolarHBondContact O-N 2.8Å; L20-I22 VanDerWaalsContact C-N 3.33Å; L20-I22 PolarHBondContact O-N 2.78Å; I22-A26 WeakPolarHBondContact O-CB 3.36Å; I22-A26 PolarHBondContact O-N 3.4Å; I22-G163 VanDerWaalsContact CG1-O 3.29Å; I22-G163 WeakPolarHBondContact CG1-O 3.46Å; I22-V166 HydrophobicContact CD1-CB 4.24Å; I22-V166 HydrophobicContact CD1-CG1 3.97Å; I22-V166 HydrophobicContact CG1-CB 4.12Å; I22-V166 HydrophobicContact CG1-CG1 4.13Å; I22-L170 HydrophobicContact CG2-CD1 3.51Å; I22-L195 HydrophobicContact CG2-CD2 3.68Å; I22-I198 HydrophobicContact CD1-CG2 4.1Å |
| 23 | C | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.6 | -42.7 | -179.4 | -64.3 | 0 | 0 | 0 | 0 | 112 | G19 L20 E21 G27 | G19-C23 PolarHBondContact O-N 3.37Å; G19-C23 PolarHBondContact O-SG 2.84Å; L20-C23 WeakPolarHBondContact O-CB 3.33Å; L20-C23 PolarHBondContact O-N 3.29Å; L20-C23 VanDerWaalsContact O-N 3.13Å; E21-C23 VanDerWaalsContact C-N 3.3Å; E21-C23 PolarHBondContact O-N 2.64Å; C23-G27 PolarHBondContact O-N 2.91Å |
| 24 | V | 92.4 | Very high | 90.1 | Very high | 14 Ų | 14 | 19 Ų | 19 | 9% | 0.085 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.9 | -48.5 | 178.6 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | L20 E21 A26 G27 I28 | L20-V24 WeakPolarHBondContact O-CG2 2.86Å; L20-V24 PolarHBondContact O-N 2.71Å; E21-V24 PolarHBondContact O-N 3.31Å; V24-A26 PolarHBondContact O-N 2.9Å; V24-G27 WeakPolarHBondContact O-CA 3.5Å; V24-G27 PolarHBondContact O-N 3.32Å; V24-G27 VanDerWaalsContact O-N 3.12Å; V24-I28 HydrophobicContact CG1-CD1 4.16Å; V24-I28 WeakPolarHBondContact O-CG1 3.31Å; V24-I28 PolarHBondContact O-N 3.49Å |
| 25 | A | 88.9 | Confident | 89.6 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.7 | -39.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E21 G27 I28 T29 Y168 | E21-A25 VanDerWaalsContact O-CB 3.25Å; E21-A25 WeakPolarHBondContact O-CB 3.39Å; E21-A25 PolarHBondContact O-N 2.86Å; A25-G27 VanDerWaalsContact C-N 3.32Å; A25-I28 PolarHBondContact O-N 2.85Å; A25-T29 PolarHBondContact O-N 2.91Å; A25-T29 PolarHBondContact O-OG1 3.31Å; A25-Y168 HydrophobicContact CB-CD1 4.25Å; A25-Y168 HydrophobicContact CB-CE1 4.05Å; A25-Y168 HydrophobicContact CB-CE2 4.39Å; A25-Y168 HydrophobicContact CB-CG 4.5Å |
| 26 | A | 88.6 | Confident | 89 | Confident | 2 Ų | 2 | 21.4 Ų | 21.4 | 2% | 0.017 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.9 | -39.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.4 | I22 V24 T29 Y30 L195 | I22-A26 WeakPolarHBondContact O-CB 3.36Å; I22-A26 PolarHBondContact O-N 3.4Å; V24-A26 PolarHBondContact O-N 2.9Å; A26-T29 PolarHBondContact O-N 2.83Å; A26-Y30 PolarHBondContact O-N 3.37Å; A26-L195 HydrophobicContact CB-CD1 3.82Å; A26-L195 HydrophobicContact CB-CD2 4.05Å |
| 27 | G | 87.3 | Confident | 88.3 | Confident | 2 Ų | 2 | 29 Ų | 29 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.3 | -50.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | C23 V24 A25 T29 Y30 V31 | C23-G27 PolarHBondContact O-N 2.91Å; V24-G27 WeakPolarHBondContact O-CA 3.5Å; V24-G27 PolarHBondContact O-N 3.32Å; V24-G27 VanDerWaalsContact O-N 3.12Å; A25-G27 VanDerWaalsContact C-N 3.32Å; G27-T29 PolarHBondContact O-N 2.83Å; G27-T29 VanDerWaalsContact O-N 3.08Å; G27-Y30 PolarHBondContact O-N 3.41Å; G27-V31 WeakPolarHBondContact O-CB 3.42Å; G27-V31 WeakPolarHBondContact O-CG2 3.17Å; G27-V31 PolarHBondContact O-N 3.4Å |
| 28 | I | 83.5 | Confident | 87.6 | Confident | 86 Ų | 86 | 30.1 Ų | 30.1 | 44% | 0.441 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -54 | -33.8 | 178 | -69.4 | 166.9 | 0 | 0 | 0 | 112 | V24 A25 P32 | V24-I28 HydrophobicContact CG1-CD1 4.16Å; V24-I28 WeakPolarHBondContact O-CG1 3.31Å; V24-I28 PolarHBondContact O-N 3.49Å; A25-I28 PolarHBondContact O-N 2.85Å; I28-P32 WeakPolarHBondContact O-CD 3.34Å; I28-P32 VanDerWaalsContact O-CG 3.27Å; I28-P32 WeakPolarHBondContact O-CG 3.37Å |
| 29 | T | 81.6 | Confident | 86.7 | Confident | 56 Ų | 56 | 32.2 Ų | 32.2 | 34% | 0.344 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -88.8 | -39.3 | -175.5 | -44.4 | 0 | 0 | 0 | 0 | 112.9 | A25 A26 G27 P33 P171 | A25-T29 PolarHBondContact O-N 2.91Å; A25-T29 PolarHBondContact O-OG1 3.31Å; A26-T29 PolarHBondContact O-N 2.83Å; G27-T29 PolarHBondContact O-N 2.83Å; G27-T29 VanDerWaalsContact O-N 3.08Å; T29-P33 WeakPolarHBondContact O-CD 3.42Å; T29-P171 HydrophobicContact CG2-CB 3.59Å; T29-P171 HydrophobicContact CG2-CG 3.71Å |
| 30 | Y | 82.6 | Confident | 86 | Confident | 24 Ų | 24 | 32.8 Ų | 32.8 | 9% | 0.094 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -91.2 | -28.8 | -175.9 | -90.4 | -77.7 | 0 | 0 | 0 | 114.6 | A26 G27 P33 L34 P171 Q187 L191 | A26-Y30 PolarHBondContact O-N 3.37Å; G27-Y30 PolarHBondContact O-N 3.41Å; Y30-P33 VanDerWaalsContact O-CD 3.26Å; Y30-P33 WeakPolarHBondContact O-CD 3.42Å; Y30-P33 VanDerWaalsContact O-CG 3.27Å; Y30-P33 WeakPolarHBondContact O-CG 3.34Å; Y30-L34 WeakPolarHBondContact O-CB 3.35Å; Y30-L34 WeakPolarHBondContact O-CD1 3.08Å; Y30-L34 VanDerWaalsContact O-CG 3.25Å; Y30-L34 WeakPolarHBondContact O-CG 3.44Å; Y30-L34 PolarHBondContact O-N 3.02Å; Y30-P171 HydrophobicContact CD2-CB 3.69Å; Y30-P171 HydrophobicContact CD2-CG 3.58Å; Y30-P171 HydrophobicContact CE2-CB 3.22Å; Y30-P171 HydrophobicContact CE2-CG 3.44Å; Y30-P171 VanDerWaalsContact CE2-CG 3.44Å; Y30-Q187 PolarHBondContact OH-NE2 3.05Å; Y30-L191 HydrophobicContact CD1-CD2 4.45Å; Y30-L191 HydrophobicContact CD2-CD2 3.28Å; Y30-L191 HydrophobicContact CE1-CD2 4.35Å; Y30-L191 HydrophobicContact CE2-CD1 3.63Å; Y30-L191 HydrophobicContact CE2-CD2 3.12Å; Y30-L191 HydrophobicContact CE2-CG 3.95Å; Y30-L191 HydrophobicContact CG-CD2 3.96Å |
| 31 | V | 84.4 | Confident | 85.3 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.9 | -44.8 | -176.3 | 167 | 0 | 0 | 0 | 0 | 112.6 | G27 L34 L35 L49 V121 | G27-V31 WeakPolarHBondContact O-CB 3.42Å; G27-V31 WeakPolarHBondContact O-CG2 3.17Å; G27-V31 PolarHBondContact O-N 3.4Å; V31-L34 PolarHBondContact O-N 3.1Å; V31-L35 HydrophobicContact CG1-CD1 3.59Å; V31-L35 HydrophobicContact CG1-CG 4.02Å; V31-L35 WeakPolarHBondContact O-CG 3.34Å; V31-L35 PolarHBondContact O-N 2.86Å; V31-L49 HydrophobicContact CG1-CD2 4.06Å; V31-V121 HydrophobicContact CB-CG2 4.27Å; V31-V121 HydrophobicContact CG1-CB 4.11Å; V31-V121 HydrophobicContact CG1-CG1 3.57Å; V31-V121 HydrophobicContact CG1-CG2 3.36Å; V31-V121 HydrophobicContact CG2-CG2 3.89Å |
| 32 | P | 83.4 | Confident | 84.2 | Confident | 26 Ų | 26 | 43.5 Ų | 43.5 | 17% | 0.169 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -54.1 | -52.4 | 178.3 | -26 | 34.8 | 0 | 0 | 0 | 114.3 | I28 L34 L35 L36 M45 L49 | I28-P32 WeakPolarHBondContact O-CD 3.34Å; I28-P32 VanDerWaalsContact O-CG 3.27Å; I28-P32 WeakPolarHBondContact O-CG 3.37Å; P32-L34 PolarHBondContact O-N 3.19Å; P32-L35 PolarHBondContact O-N 3.43Å; P32-L36 WeakPolarHBondContact O-CG 3.26Å; P32-L36 PolarHBondContact O-N 2.88Å; P32-L36 VanDerWaalsContact O-N 3.14Å; P32-M45 HydrophobicContact CB-CE 4.31Å; P32-M45 HydrophobicContact CB-SD 3.59Å; P32-M45 VanDerWaalsContact CB-SD 3.59Å; P32-L49 HydrophobicContact CG-CD1 4.25Å |
| 33 | P | 80.9 | Confident | 83.2 | Confident | 57 Ų | 57 | 49.8 Ų | 49.8 | 37% | 0.37 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 177.9 | 24.1 | -32.5 | 0 | 0 | 0 | 112.7 | T29 Y30 L35 L36 E37 | T29-P33 WeakPolarHBondContact O-CD 3.42Å; Y30-P33 VanDerWaalsContact O-CD 3.26Å; Y30-P33 WeakPolarHBondContact O-CD 3.42Å; Y30-P33 VanDerWaalsContact O-CG 3.27Å; Y30-P33 WeakPolarHBondContact O-CG 3.34Å; P33-L35 VanDerWaalsContact C-N 3.34Å; P33-L35 PolarHBondContact O-N 2.8Å; P33-L36 PolarHBondContact O-N 3.46Å; P33-E37 WeakPolarHBondContact O-CB 3.36Å; P33-E37 WeakPolarHBondContact O-CG 3.09Å; P33-E37 PolarHBondContact O-N 3.31Å |
| 34 | L | 82.9 | Confident | 82.5 | Confident | 36 Ų | 36 | 55 Ų | 55 | 19% | 0.188 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 176.4 | -73.2 | 171.8 | 0 | 0 | 0 | 112.7 | Y30 V31 P32 A38 I95 F192 | Y30-L34 WeakPolarHBondContact O-CB 3.35Å; Y30-L34 WeakPolarHBondContact O-CD1 3.08Å; Y30-L34 VanDerWaalsContact O-CG 3.25Å; Y30-L34 WeakPolarHBondContact O-CG 3.44Å; Y30-L34 PolarHBondContact O-N 3.02Å; V31-L34 PolarHBondContact O-N 3.1Å; P32-L34 PolarHBondContact O-N 3.19Å; L34-A38 WeakPolarHBondContact O-CB 3.33Å; L34-A38 PolarHBondContact O-N 2.93Å; L34-I95 HydrophobicContact CD1-CG2 4.21Å; L34-F192 HydrophobicContact CD1-CE2 4.07Å; L34-F192 HydrophobicContact CD1-CZ 4.39Å |
| 35 | L | 84.1 | Confident | 81.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 175.9 | -73.4 | 170.8 | 0 | 0 | 0 | 111.7 | V31 P32 P33 A38 G39 V40 M45 V48 L117 I118 | V31-L35 HydrophobicContact CG1-CD1 3.59Å; V31-L35 HydrophobicContact CG1-CG 4.02Å; V31-L35 WeakPolarHBondContact O-CG 3.34Å; V31-L35 PolarHBondContact O-N 2.86Å; P32-L35 PolarHBondContact O-N 3.43Å; P33-L35 VanDerWaalsContact C-N 3.34Å; P33-L35 PolarHBondContact O-N 2.8Å; L35-A38 PolarHBondContact O-N 3.26Å; L35-G39 PolarHBondContact O-N 3.49Å; L35-V40 HydrophobicContact CB-CB 4.35Å; L35-V40 HydrophobicContact CB-CG2 4.47Å; L35-V40 HydrophobicContact CD2-CG2 4.26Å; L35-V40 VanDerWaalsContact O-CB 3.25Å; L35-V40 WeakPolarHBondContact O-CB 3.36Å; L35-V40 WeakPolarHBondContact O-CG2 3.42Å; L35-V40 PolarHBondContact O-N 3.36Å; L35-M45 HydrophobicContact CB-CG 4.34Å; L35-M45 HydrophobicContact CD1-CG 3.92Å; L35-V48 HydrophobicContact CD1-CG1 4.31Å; L35-L117 HydrophobicContact CD2-CD2 3.8Å; L35-L117 HydrophobicContact CD2-CG 3.92Å; L35-L117 HydrophobicContact CG-CD2 4.48Å; L35-I118 HydrophobicContact CD2-CG1 4.25Å |
| 36 | L | 83.2 | Confident | 81.4 | Confident | 88 Ų | 88 | 59.4 Ų | 59.4 | 46% | 0.461 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | 176.6 | -67.2 | 172.9 | 0 | 0 | 0 | 111.6 | P32 P33 A38 G39 V40 E42 M45 | P32-L36 WeakPolarHBondContact O-CG 3.26Å; P32-L36 PolarHBondContact O-N 2.88Å; P32-L36 VanDerWaalsContact O-N 3.14Å; P33-L36 PolarHBondContact O-N 3.46Å; L36-A38 VanDerWaalsContact C-N 3.27Å; L36-A38 PolarHBondContact O-N 2.82Å; L36-G39 PolarHBondContact O-N 2.8Å; L36-V40 WeakPolarHBondContact CD2-O 3.3Å; L36-E42 HydrophobicContact CD2-CB 4.44Å; L36-M45 HydrophobicContact CD1-SD 4.32Å; L36-M45 HydrophobicContact CD2-SD 4.33Å; L36-M45 HydrophobicContact CG-SD 4.08Å |
| 37 | E | 81.4 | Confident | 81.1 | Confident | 159 Ų | 159 | 65.1 Ų | 65.1 | 74% | 0.743 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.7 | -35.1 | 174.5 | -75.4 | 178.1 | -179 | 0 | 0 | 112.2 | P33 G39 | P33-E37 WeakPolarHBondContact O-CB 3.36Å; P33-E37 WeakPolarHBondContact O-CG 3.09Å; P33-E37 PolarHBondContact O-N 3.31Å; E37-G39 PolarHBondContact O-N 3.04Å |
| 38 | A | 80.2 | Confident | 80.9 | Confident | 25 Ų | 25 | 65.6 Ų | 65.6 | 21% | 0.207 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -0.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | L34 L35 L36 V114 L117 | L34-A38 WeakPolarHBondContact O-CB 3.33Å; L34-A38 PolarHBondContact O-N 2.93Å; L35-A38 PolarHBondContact O-N 3.26Å; L36-A38 VanDerWaalsContact C-N 3.27Å; L36-A38 PolarHBondContact O-N 2.82Å; A38-V114 HydrophobicContact CB-CG2 4.39Å; A38-V114 WeakPolarHBondContact O-CG2 3.42Å; A38-L117 HydrophobicContact CB-CD2 3.71Å |
| 39 | G | 78.9 | Confident | 80.8 | Confident | 64 Ų | 64 | 63.9 Ų | 63.9 | 66% | 0.66 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | 13.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | L35 L36 E37 E41 | L35-G39 PolarHBondContact O-N 3.49Å; L36-G39 PolarHBondContact O-N 2.8Å; E37-G39 PolarHBondContact O-N 3.04Å; G39-E41 PolarHBondContact O-N 2.84Å |
| 40 | V | 81 | Confident | 80.8 | Confident | 14 Ų | 14 | 62.7 Ų | 62.7 | 9% | 0.085 | 33% | 0.334 | C | S | . | . | trans | -74.2 | 124.1 | 173.5 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | L35 L36 V114 | L35-V40 HydrophobicContact CB-CB 4.35Å; L35-V40 HydrophobicContact CB-CG2 4.47Å; L35-V40 HydrophobicContact CD2-CG2 4.26Å; L35-V40 VanDerWaalsContact O-CB 3.25Å; L35-V40 WeakPolarHBondContact O-CB 3.36Å; L35-V40 WeakPolarHBondContact O-CG2 3.42Å; L35-V40 PolarHBondContact O-N 3.36Å; L36-V40 WeakPolarHBondContact CD2-O 3.3Å; V40-V114 HydrophobicContact CG2-CG1 3.65Å | ||
| 41 | E | 81.1 | Confident | 81 | Confident | 101 Ų | 101 | 65 Ų | 65 | 47% | 0.472 | 35% | 0.347 | S | S | . | . | trans | -63.5 | 147.2 | 175 | -59 | 173.4 | 172 | 0 | 0 | 111.2 | G39 R43 Y44 M45 | G39-E41 PolarHBondContact O-N 2.84Å; E41-R43 HydrophobicContact CB-CG 4.19Å; E41-R43 PolarHBondContact O-N 3.29Å; E41-R43 IonicContact OE1-NH2 2.98Å; E41-R43 IonicContact OE2-CZ 3.22Å; E41-R43 IonicContact OE2-NE 3.69Å; E41-R43 PolarHBondContact OE2-NE 3.18Å; E41-R43 IonicContact OE2-NH2 2.94Å; E41-R43 PolarHBondContact OE2-NH2 2.87Å; E41-Y44 HydrophobicContact CB-CD2 3.93Å; E41-Y44 HydrophobicContact CB-CE2 4.43Å; E41-Y44 HydrophobicContact CG-CD2 4.46Å; E41-Y44 PolarHBondContact O-N 3.32Å; E41-Y44 VanDerWaalsContact OE2-CE2 3.3Å; E41-Y44 WeakPolarHBondContact OE2-CE2 3.35Å; E41-M45 PolarHBondContact O-N 3.1Å | ||
| 42 | E | 72.5 | Confident | 81.1 | Confident | 146 Ų | 146 | 64.8 Ų | 64.8 | 68% | 0.682 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -52.6 | -34.6 | -176.6 | -169.2 | 177.6 | -175.4 | 0 | 0 | 113.6 | L36 Y44 M45 T46 | L36-E42 HydrophobicContact CD2-CB 4.44Å; E42-Y44 VanDerWaalsContact C-N 3.32Å; E42-Y44 PolarHBondContact O-N 3.31Å; E42-M45 HydrophobicContact CG-CE 4.5Å; E42-M45 WeakPolarHBondContact O-CB 3.38Å; E42-M45 PolarHBondContact O-N 2.95Å; E42-T46 PolarHBondContact O-N 3.41Å |
| 43 | R | 72.8 | Confident | 81.4 | Confident | 143 Ų | 143 | 64.1 Ų | 64.1 | 54% | 0.54 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.5 | -33.7 | 175.9 | 65.8 | 176.5 | 175.1 | -174.7 | -8.3 | 113.6 | E41 T46 M47 | E41-R43 HydrophobicContact CB-CG 4.19Å; E41-R43 PolarHBondContact O-N 3.29Å; E41-R43 IonicContact OE1-NH2 2.98Å; E41-R43 IonicContact OE2-CZ 3.22Å; E41-R43 IonicContact OE2-NE 3.69Å; E41-R43 PolarHBondContact OE2-NE 3.18Å; E41-R43 IonicContact OE2-NH2 2.94Å; E41-R43 PolarHBondContact OE2-NH2 2.87Å; R43-T46 PolarHBondContact O-OG1 3.35Å; R43-M47 WeakPolarHBondContact O-CG 3.23Å |
| 44 | Y | 79.8 | Confident | 81.7 | Confident | 108 Ų | 108 | 65.3 Ų | 65.3 | 42% | 0.424 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -85.9 | -28.1 | -179.4 | -64.7 | -62.5 | 0 | 0 | 0 | 111.5 | E41 E42 T46 M47 V48 | E41-Y44 HydrophobicContact CB-CD2 3.93Å; E41-Y44 HydrophobicContact CB-CE2 4.43Å; E41-Y44 HydrophobicContact CG-CD2 4.46Å; E41-Y44 PolarHBondContact O-N 3.32Å; E41-Y44 VanDerWaalsContact OE2-CE2 3.3Å; E41-Y44 WeakPolarHBondContact OE2-CE2 3.35Å; E42-Y44 VanDerWaalsContact C-N 3.32Å; E42-Y44 PolarHBondContact O-N 3.31Å; Y44-T46 PolarHBondContact O-N 3.43Å; Y44-M47 HydrophobicContact CD1-SD 4.13Å; Y44-M47 WeakPolarHBondContact O-CB 3.38Å; Y44-M47 PolarHBondContact O-N 2.83Å; Y44-V48 VanDerWaalsContact O-CG2 3.32Å; Y44-V48 WeakPolarHBondContact O-CG2 3.42Å; Y44-V48 PolarHBondContact O-N 3.46Å |
| 45 | M | 81.1 | Confident | 82 | Confident | 22 Ų | 22 | 66.7 Ų | 66.7 | 11% | 0.108 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -56.8 | -50 | 174.7 | -178 | -169.3 | 76.5 | 0 | 0 | 111.7 | P32 L35 L36 E41 E42 M47 V48 L49 | P32-M45 HydrophobicContact CB-CE 4.31Å; P32-M45 HydrophobicContact CB-SD 3.59Å; P32-M45 VanDerWaalsContact CB-SD 3.59Å; L35-M45 HydrophobicContact CB-CG 4.34Å; L35-M45 HydrophobicContact CD1-CG 3.92Å; L36-M45 HydrophobicContact CD1-SD 4.32Å; L36-M45 HydrophobicContact CD2-SD 4.33Å; L36-M45 HydrophobicContact CG-SD 4.08Å; E41-M45 PolarHBondContact O-N 3.1Å; E42-M45 HydrophobicContact CG-CE 4.5Å; E42-M45 WeakPolarHBondContact O-CB 3.38Å; E42-M45 PolarHBondContact O-N 2.95Å; M45-M47 VanDerWaalsContact C-N 3.31Å; M45-M47 PolarHBondContact O-N 3.36Å; M45-V48 PolarHBondContact O-N 3.29Å; M45-L49 HydrophobicContact CG-CD1 4.19Å; M45-L49 WeakPolarHBondContact O-CG 3.34Å; M45-L49 PolarHBondContact O-N 2.81Å |
| 46 | T | 78.2 | Confident | 82.2 | Confident | 86 Ų | 86 | 66.7 Ų | 66.7 | 53% | 0.528 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.3 | -35.2 | 178.4 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | E42 R43 Y44 G50 | E42-T46 PolarHBondContact O-N 3.41Å; R43-T46 PolarHBondContact O-OG1 3.35Å; Y44-T46 PolarHBondContact O-N 3.43Å; T46-G50 PolarHBondContact O-N 3.18Å; T46-G50 VanDerWaalsContact O-N 3.08Å |
| 47 | M | 81.5 | Confident | 82.4 | Confident | 122 Ų | 122 | 64.8 Ų | 64.8 | 60% | 0.601 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.6 | -44.2 | 172.6 | -67.5 | -177.4 | -177.5 | 0 | 0 | 111.6 | R43 Y44 M45 G50 I51 | R43-M47 WeakPolarHBondContact O-CG 3.23Å; Y44-M47 HydrophobicContact CD1-SD 4.13Å; Y44-M47 WeakPolarHBondContact O-CB 3.38Å; Y44-M47 PolarHBondContact O-N 2.83Å; M45-M47 VanDerWaalsContact C-N 3.31Å; M45-M47 PolarHBondContact O-N 3.36Å; M47-G50 PolarHBondContact O-N 3.19Å; M47-I51 WeakPolarHBondContact O-CG1 3.21Å; M47-I51 PolarHBondContact O-N 3.27Å |
| 48 | V | 82.9 | Confident | 82.6 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 7% | 0.067 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.6 | -46 | 179 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | L35 Y44 M45 G50 I51 I118 V121 | L35-V48 HydrophobicContact CD1-CG1 4.31Å; Y44-V48 VanDerWaalsContact O-CG2 3.32Å; Y44-V48 WeakPolarHBondContact O-CG2 3.42Å; Y44-V48 PolarHBondContact O-N 3.46Å; M45-V48 PolarHBondContact O-N 3.29Å; V48-G50 PolarHBondContact O-N 2.62Å; V48-I51 WeakPolarHBondContact O-CB 3.28Å; V48-I51 PolarHBondContact O-N 2.99Å; V48-I51 VanDerWaalsContact O-N 3.13Å; V48-I118 HydrophobicContact CG1-CG1 4.47Å; V48-I118 HydrophobicContact CG1-CG2 4.1Å; V48-I118 HydrophobicContact CG2-CD1 4.19Å; V48-I118 HydrophobicContact CG2-CG1 4.16Å; V48-I118 HydrophobicContact CG2-CG2 4.11Å; V48-V121 HydrophobicContact CG1-CG1 4Å |
| 49 | L | 82.7 | Confident | 83 | Confident | 50 Ų | 50 | 63 Ų | 63 | 26% | 0.262 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.7 | -28.3 | 177 | -63.8 | 169.3 | 0 | 0 | 0 | 112.4 | V31 P32 M45 I51 P53 V121 | V31-L49 HydrophobicContact CG1-CD2 4.06Å; P32-L49 HydrophobicContact CG-CD1 4.25Å; M45-L49 HydrophobicContact CG-CD1 4.19Å; M45-L49 WeakPolarHBondContact O-CG 3.34Å; M45-L49 PolarHBondContact O-N 2.81Å; L49-I51 VanDerWaalsContact C-N 3.33Å; L49-P53 WeakPolarHBondContact O-CD 3.34Å; L49-V121 HydrophobicContact CD2-CG1 4.45Å |
| 50 | G | 82.1 | Confident | 83.6 | Confident | 32 Ų | 32 | 60 Ų | 60 | 33% | 0.33 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -74 | -17.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | T46 M47 V48 G52 P53 V54 | T46-G50 PolarHBondContact O-N 3.18Å; T46-G50 VanDerWaalsContact O-N 3.08Å; M47-G50 PolarHBondContact O-N 3.19Å; V48-G50 PolarHBondContact O-N 2.62Å; G50-G52 VanDerWaalsContact C-N 3.34Å; G50-G52 PolarHBondContact O-N 3.2Å; G50-P53 WeakPolarHBondContact O-CD 3.38Å; G50-V54 WeakPolarHBondContact O-CG2 3.35Å; G50-V54 PolarHBondContact O-N 3.07Å |
| 51 | I | 85.9 | Confident | 83.9 | Confident | 71 Ų | 71 | 60.2 Ų | 60.2 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | -178.8 | -66.7 | 171.2 | 0 | 0 | 0 | 110.8 | M47 V48 L49 V54 L55 | M47-I51 WeakPolarHBondContact O-CG1 3.21Å; M47-I51 PolarHBondContact O-N 3.27Å; V48-I51 WeakPolarHBondContact O-CB 3.28Å; V48-I51 PolarHBondContact O-N 2.99Å; V48-I51 VanDerWaalsContact O-N 3.13Å; L49-I51 VanDerWaalsContact C-N 3.33Å; I51-V54 PolarHBondContact O-N 2.9Å; I51-L55 HydrophobicContact CG2-CD1 3.5Å; I51-L55 HydrophobicContact CG2-CG 3.85Å; I51-L55 WeakPolarHBondContact O-CB 3.4Å; I51-L55 WeakPolarHBondContact O-CG 3.29Å; I51-L55 PolarHBondContact O-N 2.97Å |
| 52 | G | 87.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54.2 | -61.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G50 V54 L55 G56 Q129 | G50-G52 VanDerWaalsContact C-N 3.34Å; G50-G52 PolarHBondContact O-N 3.2Å; G52-V54 VanDerWaalsContact C-N 3.31Å; G52-V54 PolarHBondContact O-N 3.38Å; G52-L55 PolarHBondContact O-N 2.99Å; G52-G56 PolarHBondContact O-N 3.34Å; G52-Q129 PolarHBondContact O-OE1 3.44Å |
| 53 | P | 88.3 | Confident | 84.8 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 8% | 0.078 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.4 | -39.5 | 177.3 | -27.2 | 34.3 | 0 | 0 | 0 | 114.1 | L49 G50 G56 L57 Q129 L498 V502 | L49-P53 WeakPolarHBondContact O-CD 3.34Å; G50-P53 WeakPolarHBondContact O-CD 3.38Å; P53-G56 PolarHBondContact O-N 3.4Å; P53-L57 WeakPolarHBondContact O-CG 3.47Å; P53-L57 PolarHBondContact O-N 3.2Å; P53-Q129 VanDerWaalsContact CA-OE1 3.24Å; P53-L498 HydrophobicContact CB-CD2 4.39Å; P53-V502 HydrophobicContact CB-CG2 3.86Å |
| 54 | V | 88 | Confident | 85.4 | Confident | 82 Ų | 82 | 43.7 Ų | 43.7 | 50% | 0.497 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.4 | -43.9 | 179.6 | 174 | 0 | 0 | 0 | 0 | 111.4 | G50 I51 G52 G56 L57 V502 | G50-V54 WeakPolarHBondContact O-CG2 3.35Å; G50-V54 PolarHBondContact O-N 3.07Å; I51-V54 PolarHBondContact O-N 2.9Å; G52-V54 VanDerWaalsContact C-N 3.31Å; G52-V54 PolarHBondContact O-N 3.38Å; V54-G56 VanDerWaalsContact C-N 3.34Å; V54-L57 PolarHBondContact O-N 3.27Å; V54-V502 HydrophobicContact CG2-CG2 4.17Å |
| 55 | L | 88.8 | Confident | 85.7 | Confident | 64 Ų | 64 | 39.3 Ų | 39.3 | 34% | 0.335 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.2 | -39.5 | 173.6 | -69.3 | -179.1 | 0 | 0 | 0 | 111.1 | I51 G52 L57 L58 F59 F126 | I51-L55 HydrophobicContact CG2-CD1 3.5Å; I51-L55 HydrophobicContact CG2-CG 3.85Å; I51-L55 WeakPolarHBondContact O-CB 3.4Å; I51-L55 WeakPolarHBondContact O-CG 3.29Å; I51-L55 PolarHBondContact O-N 2.97Å; G52-L55 PolarHBondContact O-N 2.99Å; L55-L57 VanDerWaalsContact C-N 3.34Å; L55-L57 PolarHBondContact O-N 3.42Å; L55-L58 PolarHBondContact O-N 3.4Å; L55-L58 VanDerWaalsContact O-N 3.11Å; L55-F59 HydrophobicContact CD2-CE2 4.45Å; L55-F59 WeakPolarHBondContact O-CD2 3.45Å; L55-F59 PolarHBondContact O-N 2.91Å; L55-F126 HydrophobicContact CB-CD2 3.57Å; L55-F126 HydrophobicContact CB-CE2 3.93Å; L55-F126 HydrophobicContact CD1-CD2 4.4Å |
| 56 | G | 87.9 | Confident | 85.8 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.2 | -45.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G52 P53 V54 L58 F59 I60 L498 | G52-G56 PolarHBondContact O-N 3.34Å; P53-G56 PolarHBondContact O-N 3.4Å; V54-G56 VanDerWaalsContact C-N 3.34Å; G56-L58 PolarHBondContact O-N 3.36Å; G56-L58 VanDerWaalsContact O-N 3.15Å; G56-F59 PolarHBondContact O-N 2.96Å; G56-I60 WeakPolarHBondContact O-CB 3.19Å; G56-I60 VanDerWaalsContact O-CG1 3.23Å; G56-I60 WeakPolarHBondContact O-CG1 3.39Å; G56-I60 PolarHBondContact O-N 3.36Å; G56-L498 VanDerWaalsContact C-CD1 3.44Å |
| 57 | L | 88.1 | Confident | 86.2 | Confident | 48 Ų | 48 | 35.8 Ų | 35.8 | 25% | 0.251 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -55.7 | -33.1 | 176.4 | -77.1 | 172.2 | 0 | 0 | 0 | 113.7 | P53 V54 L55 P61 S495 L498 L499 V502 | P53-L57 WeakPolarHBondContact O-CG 3.47Å; P53-L57 PolarHBondContact O-N 3.2Å; V54-L57 PolarHBondContact O-N 3.27Å; L55-L57 VanDerWaalsContact C-N 3.34Å; L55-L57 PolarHBondContact O-N 3.42Å; L57-P61 WeakPolarHBondContact O-CD 3.44Å; L57-S495 WeakPolarHBondContact CD2-O 3.29Å; L57-L498 HydrophobicContact CD2-CB 3.75Å; L57-L498 HydrophobicContact CG-CB 3.87Å; L57-L498 HydrophobicContact CG-CD1 4.49Å; L57-L499 HydrophobicContact CD1-CD1 4.29Å; L57-L499 HydrophobicContact CD2-CB 4Å; L57-V502 HydrophobicContact CD1-CG2 4.1Å |
| 58 | L | 86 | Confident | 86.4 | Confident | 90 Ų | 90 | 31 Ų | 31 | 47% | 0.471 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -81.1 | -46.6 | 178.3 | -176.1 | 66.2 | 0 | 0 | 0 | 111.8 | L55 G56 L62 | L55-L58 PolarHBondContact O-N 3.4Å; L55-L58 VanDerWaalsContact O-N 3.11Å; G56-L58 PolarHBondContact O-N 3.36Å; G56-L58 VanDerWaalsContact O-N 3.15Å; L58-L62 HydrophobicContact CG-CD1 4.46Å; L58-L62 WeakPolarHBondContact O-CD1 3.48Å |
| 59 | F | 88.9 | Confident | 86.3 | Confident | 56 Ų | 56 | 36.2 Ų | 36.2 | 25% | 0.246 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -90.3 | -23.3 | -169 | -76.2 | -84 | 0 | 0 | 0 | 114.9 | L55 G56 L62 I63 F126 | L55-F59 HydrophobicContact CD2-CE2 4.45Å; L55-F59 WeakPolarHBondContact O-CD2 3.45Å; L55-F59 PolarHBondContact O-N 2.91Å; G56-F59 PolarHBondContact O-N 2.96Å; F59-L62 HydrophobicContact CD1-CD1 4Å; F59-L62 HydrophobicContact CE1-CD1 4.4Å; F59-L62 HydrophobicContact CG-CD1 4.48Å; F59-L62 WeakPolarHBondContact O-CB 3.24Å; F59-L62 PolarHBondContact O-N 2.76Å; F59-I63 HydrophobicContact CB-CD1 4.31Å; F59-I63 WeakPolarHBondContact O-CB 3.34Å; F59-I63 WeakPolarHBondContact O-CG1 3.47Å; F59-I63 PolarHBondContact O-N 3.03Å; F59-F126 HydrophobicContact CB-CE2 3.58Å; F59-F126 HydrophobicContact CB-CZ 3.63Å; F59-F126 HydrophobicContact CD1-CZ 4.2Å; F59-F126 AromaticContact CD2-CE2 3.52Å; F59-F126 HydrophobicContact CD2-CE2 3.52Å; F59-F126 AromaticContact CD2-CZ 3.74Å; F59-F126 HydrophobicContact CD2-CZ 3.74Å; F59-F126 HydrophobicContact CE2-CE2 4.39Å; F59-F126 HydrophobicContact CE2-CZ 4.44Å; F59-F126 AromaticContact CG-CE2 3.71Å; F59-F126 HydrophobicContact CG-CE2 3.71Å; F59-F126 AromaticContact CG-CZ 3.6Å; F59-F126 HydrophobicContact CG-CZ 3.6Å |
| 60 | I | 91.3 | Very high | 86.1 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.6 | -52.2 | 177.5 | -76.6 | -179.1 | 0 | 0 | 0 | 111.1 | G56 L62 I63 G64 V130 T133 A491 D494 L498 | G56-I60 WeakPolarHBondContact O-CB 3.19Å; G56-I60 VanDerWaalsContact O-CG1 3.23Å; G56-I60 WeakPolarHBondContact O-CG1 3.39Å; G56-I60 PolarHBondContact O-N 3.36Å; I60-L62 VanDerWaalsContact C-N 3.28Å; I60-L62 PolarHBondContact O-N 3.29Å; I60-I63 PolarHBondContact O-N 3.39Å; I60-G64 PolarHBondContact O-N 2.91Å; I60-V130 HydrophobicContact CG1-CB 4.32Å; I60-V130 HydrophobicContact CG1-CG1 4.49Å; I60-V130 HydrophobicContact CG1-CG2 3.85Å; I60-T133 HydrophobicContact CG2-CG2 4.3Å; I60-T133 WeakPolarHBondContact CG2-OG1 3.31Å; I60-A491 HydrophobicContact CG2-CB 3.67Å; I60-A491 VanDerWaalsContact CG2-O 3.27Å; I60-A491 WeakPolarHBondContact CG2-O 3.38Å; I60-D494 HydrophobicContact CD1-CB 4.2Å; I60-D494 HydrophobicContact CG2-CB 4.03Å; I60-L498 HydrophobicContact CD1-CD1 3.4Å; I60-L498 VanDerWaalsContact CD1-CD1 3.4Å; I60-L498 HydrophobicContact CD1-CG 4.19Å; I60-L498 HydrophobicContact CG1-CD1 4.45Å |
| 61 | P | 87.4 | Confident | 85.7 | Confident | 18 Ų | 18 | 42 Ų | 42 | 12% | 0.117 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.4 | -37.3 | 176.3 | -25.5 | 36 | 0 | 0 | 0 | 113.3 | L57 S65 I274 S495 | L57-P61 WeakPolarHBondContact O-CD 3.44Å; P61-S65 WeakPolarHBondContact O-CB 3.07Å; P61-S65 PolarHBondContact O-N 2.93Å; P61-I274 HydrophobicContact CB-CG2 3.73Å; P61-S495 WeakPolarHBondContact CG-OG 3.37Å |
| 62 | L | 84.9 | Confident | 85.4 | Confident | 14 Ų | 14 | 40.8 Ų | 40.8 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.6 | -48.8 | 177 | -75.7 | 164.6 | 0 | 0 | 0 | 111.3 | L58 F59 I60 A66 T270 I271 I274 | L58-L62 HydrophobicContact CG-CD1 4.46Å; L58-L62 WeakPolarHBondContact O-CD1 3.48Å; F59-L62 HydrophobicContact CD1-CD1 4Å; F59-L62 HydrophobicContact CE1-CD1 4.4Å; F59-L62 HydrophobicContact CG-CD1 4.48Å; F59-L62 WeakPolarHBondContact O-CB 3.24Å; F59-L62 PolarHBondContact O-N 2.76Å; I60-L62 VanDerWaalsContact C-N 3.28Å; I60-L62 PolarHBondContact O-N 3.29Å; L62-A66 WeakPolarHBondContact O-CB 3.34Å; L62-A66 PolarHBondContact O-N 3.24Å; L62-T270 WeakPolarHBondContact CD2-OG1 3.28Å; L62-I271 HydrophobicContact CD1-CG1 4.34Å; L62-I271 HydrophobicContact CD2-CG1 4.07Å; L62-I274 HydrophobicContact CB-CD1 4.17Å; L62-I274 HydrophobicContact CD2-CD1 3.2Å; L62-I274 HydrophobicContact CG-CD1 3.69Å |
| 63 | I | 87.3 | Confident | 84.7 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 14% | 0.144 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -75.1 | -35.7 | -177.4 | -70.3 | 163.8 | 0 | 0 | 0 | 111.1 | F59 I60 S67 F80 L84 V130 | F59-I63 HydrophobicContact CB-CD1 4.31Å; F59-I63 WeakPolarHBondContact O-CB 3.34Å; F59-I63 WeakPolarHBondContact O-CG1 3.47Å; F59-I63 PolarHBondContact O-N 3.03Å; I60-I63 PolarHBondContact O-N 3.39Å; I63-S67 WeakPolarHBondContact O-CB 3.38Å; I63-S67 PolarHBondContact O-N 3.38Å; I63-S67 PolarHBondContact O-OG 3.34Å; I63-F80 HydrophobicContact CG2-CB 4.47Å; I63-F80 HydrophobicContact CG2-CD1 4.05Å; I63-L84 HydrophobicContact CD1-CD2 4.42Å; I63-L84 HydrophobicContact CG2-CD1 4.47Å; I63-V130 HydrophobicContact CB-CG1 4.4Å; I63-V130 HydrophobicContact CD1-CG1 3.25Å; I63-V130 HydrophobicContact CG1-CG1 4.39Å; I63-V130 HydrophobicContact CG2-CG1 4.44Å |
| 64 | G | 86.1 | Confident | 84 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.1 | -54.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I60 S67 D68 | I60-G64 PolarHBondContact O-N 2.91Å; G64-S67 PolarHBondContact O-N 3.33Å; G64-S67 PolarHBondContact O-OG 3.46Å; G64-D68 PolarHBondContact O-N 3.27Å; G64-D68 VanDerWaalsContact O-N 3.1Å |
| 65 | S | 84.3 | Confident | 83.5 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 11% | 0.112 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 177.5 | -179.6 | 0 | 0 | 0 | 0 | 112.7 | P61 S67 D68 Q69 | P61-S65 WeakPolarHBondContact O-CB 3.07Å; P61-S65 PolarHBondContact O-N 2.93Å; S65-S67 VanDerWaalsContact C-N 3.26Å; S65-S67 PolarHBondContact O-N 2.9Å; S65-D68 WeakPolarHBondContact O-CB 3.28Å; S65-D68 PolarHBondContact O-N 2.95Å; S65-Q69 PolarHBondContact O-N 3.33Å |
| 66 | A | 83.3 | Confident | 83.2 | Confident | 33 Ų | 33 | 49.3 Ų | 49.3 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.7 | -36.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L62 D68 Q69 C70 F80 | L62-A66 WeakPolarHBondContact O-CB 3.34Å; L62-A66 PolarHBondContact O-N 3.24Å; A66-D68 VanDerWaalsContact C-N 3.34Å; A66-Q69 PolarHBondContact O-N 3.23Å; A66-C70 PolarHBondContact O-N 2.64Å; A66-F80 HydrophobicContact CB-CE1 3.88Å; A66-F80 HydrophobicContact CB-CZ 3.94Å |
| 67 | S | 87.1 | Confident | 83.2 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.9 | -26.8 | 175.7 | 81.4 | 0 | 0 | 0 | 0 | 112.8 | I63 G64 S65 Q69 R76 R77 F80 | I63-S67 WeakPolarHBondContact O-CB 3.38Å; I63-S67 PolarHBondContact O-N 3.38Å; I63-S67 PolarHBondContact O-OG 3.34Å; G64-S67 PolarHBondContact O-N 3.33Å; G64-S67 PolarHBondContact O-OG 3.46Å; S65-S67 VanDerWaalsContact C-N 3.26Å; S65-S67 PolarHBondContact O-N 2.9Å; S67-Q69 VanDerWaalsContact C-N 3.3Å; S67-Q69 PolarHBondContact O-N 3.47Å; S67-R76 WeakPolarHBondContact O-CD 3.5Å; S67-R76 WeakPolarHBondContact O-CG 3.47Å; S67-R77 PolarHBondContact O-NH1 3.09Å; S67-R77 PolarHBondContact OG-NH1 3.05Å; S67-F80 VanDerWaalsContact CA-CE2 3.44Å |
| 68 | D | 85.3 | Confident | 83.2 | Confident | 21 Ų | 21 | 49 Ų | 49 | 11% | 0.112 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68 | -31.3 | 174.3 | -77.9 | -36.8 | 0 | 0 | 0 | 112.5 | G64 S65 A66 R76 R77 G485 G487 L488 | G64-D68 PolarHBondContact O-N 3.27Å; G64-D68 VanDerWaalsContact O-N 3.1Å; S65-D68 WeakPolarHBondContact O-CB 3.28Å; S65-D68 PolarHBondContact O-N 2.95Å; A66-D68 VanDerWaalsContact C-N 3.34Å; D68-R76 VanDerWaalsContact O-CD 3.31Å; D68-R76 WeakPolarHBondContact O-CD 3.43Å; D68-R77 VanDerWaalsContact CA-NH1 3.34Å; D68-R77 VanDerWaalsContact N-NH1 3.11Å; D68-R77 IonicContact OD1-CZ 3.11Å; D68-R77 IonicContact OD1-NH1 2.71Å; D68-R77 PolarHBondContact OD1-NH1 2.86Å; D68-R77 IonicContact OD1-NH2 2.64Å; D68-R77 PolarHBondContact OD1-NH2 3.26Å; D68-G485 VanDerWaalsContact CG-CA 3.49Å; D68-G485 VanDerWaalsContact OD2-C 3.3Å; D68-G485 VanDerWaalsContact OD2-CA 3.26Å; D68-G485 WeakPolarHBondContact OD2-CA 3.43Å; D68-G487 WeakPolarHBondContact OD1-CA 3.43Å; D68-G487 PolarHBondContact OD1-N 2.98Å; D68-G487 PolarHBondContact OD2-N 3.06Å; D68-L488 PolarHBondContact OD2-N 3.05Å |
| 69 | Q | 80.8 | Confident | 83.4 | Confident | 121 Ų | 121 | 46.6 Ų | 46.6 | 57% | 0.565 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -97.4 | -4.5 | -173.9 | -59.5 | -178.1 | 8.7 | 0 | 0 | 113.6 | S65 A66 S67 E482 | S65-Q69 PolarHBondContact O-N 3.33Å; A66-Q69 PolarHBondContact O-N 3.23Å; S67-Q69 VanDerWaalsContact C-N 3.3Å; S67-Q69 PolarHBondContact O-N 3.47Å; Q69-E482 PolarHBondContact NE2-OE1 2.95Å; Q69-E482 VanDerWaalsContact NE2-OE1 3.08Å |
| 70 | C | 80.3 | Confident | 83.5 | Confident | 35 Ų | 35 | 45.8 Ų | 45.8 | 24% | 0.236 | 26% | 0.255 | C | S | . | . | trans | -76.4 | 129.3 | -176 | -171.4 | 0 | 0 | 0 | 0 | 112.5 | A66 R76 F80 | A66-C70 PolarHBondContact O-N 2.64Å; C70-R76 HydrophobicContact CB-CG 4.49Å; C70-R76 WeakPolarHBondContact O-CB 3.27Å; C70-R76 VanDerWaalsContact O-CG 3.27Å; C70-R76 WeakPolarHBondContact O-CG 3.34Å; C70-F80 HydrophobicContact CB-CE2 3.58Å; C70-F80 HydrophobicContact CB-CZ 4.16Å | ||
| 71 | N | 72.9 | Confident | 83.6 | Confident | 168 Ų | 168 | 45.7 Ų | 45.7 | 90% | 0.898 | 25% | 0.254 | S | S | * | . | trans | -118.6 | 56.3 | 178.7 | -162.6 | 18.3 | 0 | 0 | 0 | 111.8 | ||||
| 72 | S | 79 | Confident | 83.8 | Confident | 46 Ų | 46 | 49.6 Ų | 49.6 | 32% | 0.322 | 27% | 0.267 | S | S | . | . | trans | -83 | 147.2 | 177.5 | -178.2 | 0 | 0 | 0 | 0 | 111.9 | Y74 G75 | S72-Y74 PolarHBondContact O-N 2.76Å; S72-Y74 PolarHBondContact OG-N 2.71Å; S72-G75 PolarHBondContact O-N 2.99Å | ||
| 73 | S | 72.8 | Confident | 84.2 | Confident | 135 Ų | 135 | 54 Ų | 54 | 94% | 0.944 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20.9 | 174.4 | 56.9 | 0 | 0 | 0 | 0 | 113.3 | G75 | S73-G75 PolarHBondContact O-N 3.47Š|
| 74 | Y | 72.9 | Confident | 84.5 | Confident | 82 Ų | 82 | 53.2 Ų | 53.2 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 2.8 | 174.8 | -153.8 | -112.4 | 0 | 0 | 0 | 113.3 | S72 R78 W82 E211 | S72-Y74 PolarHBondContact O-N 2.76Å; S72-Y74 PolarHBondContact OG-N 2.71Å; Y74-R78 HydrophobicContact CD1-CB 3.7Å; Y74-R78 HydrophobicContact CE1-CB 4Å; Y74-R78 WeakPolarHBondContact O-CD 3.48Å; Y74-R78 PolarHBondContact O-NH1 2.94Å; Y74-W82 AromaticContact CE1-CD1 3.57Å; Y74-W82 AromaticContact CE1-NE1 3.47Å; Y74-W82 AromaticContact CZ-NE1 3.97Å; Y74-E211 WeakPolarHBondContact CE2-OE1 3.33Å; Y74-E211 PolarHBondContact OH-OE1 3.1Å |
| 75 | G | 78.1 | Confident | 85 | Confident | 26 Ų | 26 | 53.2 Ų | 53.2 | 27% | 0.268 | 29% | 0.286 | S | S | . | . | trans | 98.9 | 159.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S72 S73 P79 | S72-G75 PolarHBondContact O-N 2.99Å; S73-G75 PolarHBondContact O-N 3.47Å; G75-P79 WeakPolarHBondContact O-CD 3.48Å | ||
| 76 | R | 83.3 | Confident | 85.5 | Confident | 95 Ų | 95 | 56.8 Ų | 56.8 | 36% | 0.358 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -66.5 | -43.2 | -173.6 | 173.5 | 170.3 | 70.4 | 172.7 | 2.1 | 114.2 | S67 D68 C70 D141 | S67-R76 WeakPolarHBondContact O-CD 3.5Å; S67-R76 WeakPolarHBondContact O-CG 3.47Å; D68-R76 VanDerWaalsContact O-CD 3.31Å; D68-R76 WeakPolarHBondContact O-CD 3.43Å; C70-R76 HydrophobicContact CB-CG 4.49Å; C70-R76 WeakPolarHBondContact O-CB 3.27Å; C70-R76 VanDerWaalsContact O-CG 3.27Å; C70-R76 WeakPolarHBondContact O-CG 3.34Å; R76-D141 IonicContact CZ-OD2 3.71Å; R76-D141 IonicContact NE-OD2 3.7Å; R76-D141 IonicContact NH2-OD1 2.85Å; R76-D141 PolarHBondContact NH2-OD1 3.2Å; R76-D141 IonicContact NH2-OD2 2.86Å; R76-D141 PolarHBondContact NH2-OD2 2.79Å |
| 77 | R | 87.9 | Confident | 86.1 | Confident | 5 Ų | 5 | 55.6 Ų | 55.6 | 2% | 0.019 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -93.5 | -32.2 | -173.3 | -52.6 | -61.4 | -178 | -178.7 | -0.7 | 114.2 | S67 D68 P79 F80 I81 L138 D141 | S67-R77 PolarHBondContact O-NH1 3.09Å; S67-R77 PolarHBondContact OG-NH1 3.05Å; D68-R77 VanDerWaalsContact CA-NH1 3.34Å; D68-R77 VanDerWaalsContact N-NH1 3.11Å; D68-R77 IonicContact OD1-CZ 3.11Å; D68-R77 IonicContact OD1-NH1 2.71Å; D68-R77 PolarHBondContact OD1-NH1 2.86Å; D68-R77 IonicContact OD1-NH2 2.64Å; D68-R77 PolarHBondContact OD1-NH2 3.26Å; R77-P79 VanDerWaalsContact C-CD 3.48Å; R77-F80 PolarHBondContact O-N 2.93Å; R77-I81 PolarHBondContact O-N 3.34Å; R77-L138 HydrophobicContact CB-CB 4.25Å; R77-L138 HydrophobicContact CB-CD1 4.4Å; R77-L138 HydrophobicContact CG-CB 4.39Å; R77-D141 IonicContact CZ-OD2 3.66Å; R77-D141 IonicContact NE-OD2 2.94Å; R77-D141 PolarHBondContact NE-OD2 2.71Å; R77-D141 IonicContact NH2-OD1 4Å; R77-D141 IonicContact NH2-OD2 3.47Å; R77-D141 PolarHBondContact NH2-OD2 2.89Å |
| 78 | R | 88.4 | Confident | 86.5 | Confident | 36 Ų | 36 | 55.6 Ų | 55.6 | 14% | 0.136 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.3 | -37.4 | -169.5 | -58.4 | -166.7 | -165.6 | 136.1 | 5.5 | 115.5 | Y74 F80 I81 W82 M207 S210 E211 | Y74-R78 HydrophobicContact CD1-CB 3.7Å; Y74-R78 HydrophobicContact CE1-CB 4Å; Y74-R78 WeakPolarHBondContact O-CD 3.48Å; Y74-R78 PolarHBondContact O-NH1 2.94Å; R78-F80 VanDerWaalsContact C-N 3.26Å; R78-F80 PolarHBondContact O-N 3.48Å; R78-I81 PolarHBondContact O-N 3.02Å; R78-W82 PolarHBondContact O-N 3.22Å; R78-M207 HydrophobicContact CB-SD 4.22Å; R78-M207 HydrophobicContact CG-SD 4.27Å; R78-S210 PolarHBondContact NE-OG 2.85Å; R78-S210 PolarHBondContact NH2-O 3.47Å; R78-E211 VanDerWaalsContact NH2-CA 3.33Å |
| 79 | P | 89 | Confident | 87.1 | Confident | 40 Ų | 40 | 56.4 Ų | 56.4 | 26% | 0.26 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.8 | -37.7 | 177.6 | -25.5 | 34.5 | 0 | 0 | 0 | 113 | G75 R77 L83 | G75-P79 WeakPolarHBondContact O-CD 3.48Å; R77-P79 VanDerWaalsContact C-CD 3.48Å; P79-L83 WeakPolarHBondContact O-CB 3.44Å; P79-L83 PolarHBondContact O-N 2.92Å |
| 80 | F | 90.8 | Very high | 87.8 | Confident | 38 Ų | 38 | 54.6 Ų | 54.6 | 17% | 0.167 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.8 | -42.2 | 177.4 | -63.3 | -89 | 0 | 0 | 0 | 111.5 | I63 A66 S67 C70 R77 R78 L83 L84 | I63-F80 HydrophobicContact CG2-CB 4.47Å; I63-F80 HydrophobicContact CG2-CD1 4.05Å; A66-F80 HydrophobicContact CB-CE1 3.88Å; A66-F80 HydrophobicContact CB-CZ 3.94Å; S67-F80 VanDerWaalsContact CA-CE2 3.44Å; C70-F80 HydrophobicContact CB-CE2 3.58Å; C70-F80 HydrophobicContact CB-CZ 4.16Å; R77-F80 PolarHBondContact O-N 2.93Å; R78-F80 VanDerWaalsContact C-N 3.26Å; R78-F80 PolarHBondContact O-N 3.48Å; F80-L83 PolarHBondContact O-N 2.88Å; F80-L84 WeakPolarHBondContact O-CB 3.48Å; F80-L84 VanDerWaalsContact O-CG 3.29Å; F80-L84 WeakPolarHBondContact O-CG 3.24Å; F80-L84 PolarHBondContact O-N 3.39Å |
| 81 | I | 92.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.3 | -47.3 | 176.5 | -56.7 | 168.8 | 0 | 0 | 0 | 109.9 | L16 R77 R78 L83 L84 S85 P134 L135 L138 M207 | L16-I81 HydrophobicContact CD2-CG2 3.53Å; R77-I81 PolarHBondContact O-N 3.34Å; R78-I81 PolarHBondContact O-N 3.02Å; I81-L83 VanDerWaalsContact C-N 3.34Å; I81-L83 PolarHBondContact O-N 3.24Å; I81-L84 PolarHBondContact O-N 3.14Å; I81-S85 VanDerWaalsContact O-CB 3.28Å; I81-S85 WeakPolarHBondContact O-CB 3.2Å; I81-S85 PolarHBondContact O-N 3.27Å; I81-S85 PolarHBondContact O-OG 2.75Å; I81-P134 HydrophobicContact CG1-CB 3.86Å; I81-P134 HydrophobicContact CG1-CG 4.12Å; I81-L135 HydrophobicContact CD1-CD2 4.08Å; I81-L135 HydrophobicContact CG2-CD2 4.12Å; I81-L138 HydrophobicContact CD1-CB 4.26Å; I81-L138 HydrophobicContact CD1-CD2 3.67Å; I81-M207 HydrophobicContact CB-CE 3.58Å; I81-M207 HydrophobicContact CD1-CE 4.18Å; I81-M207 HydrophobicContact CG1-CE 4.49Å; I81-M207 HydrophobicContact CG2-CE 3.22Å |
| 82 | W | 92.3 | Very high | 89.5 | Confident | 101 Ų | 101 | 44.9 Ų | 44.9 | 38% | 0.383 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.9 | -42.9 | 176 | -96.5 | 108.9 | 0 | 0 | 0 | 113.2 | Y74 R78 L86 V203 M207 | Y74-W82 AromaticContact CE1-CD1 3.57Å; Y74-W82 AromaticContact CE1-NE1 3.47Å; Y74-W82 AromaticContact CZ-NE1 3.97Å; R78-W82 PolarHBondContact O-N 3.22Å; W82-L86 WeakPolarHBondContact O-CB 3.25Å; W82-L86 PolarHBondContact O-N 3.07Å; W82-V203 HydrophobicContact CE3-CG1 4.35Å; W82-V203 HydrophobicContact CH2-CG1 4Å; W82-V203 HydrophobicContact CZ2-CG1 4.26Å; W82-V203 HydrophobicContact CZ3-CG1 4.05Å; W82-M207 HydrophobicContact CZ2-CG 4.14Å |
| 83 | L | 92.9 | Very high | 90.2 | Very high | 107 Ų | 107 | 47.8 Ų | 47.8 | 56% | 0.56 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -63.7 | -45.3 | 179 | -177.8 | 66.6 | 0 | 0 | 0 | 111.6 | P79 F80 I81 L86 G87 | P79-L83 WeakPolarHBondContact O-CB 3.44Å; P79-L83 PolarHBondContact O-N 2.92Å; F80-L83 PolarHBondContact O-N 2.88Å; I81-L83 VanDerWaalsContact C-N 3.34Å; I81-L83 PolarHBondContact O-N 3.24Å; L83-L86 PolarHBondContact O-N 2.73Å; L83-G87 PolarHBondContact O-N 3.02Å; L83-G87 VanDerWaalsContact O-N 3.13Å |
| 84 | L | 95 | Very high | 91.1 | Very high | 11 Ų | 11 | 42.6 Ų | 42.6 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.9 | -40.5 | 179 | -66.8 | 167 | 0 | 0 | 0 | 111.5 | I63 F80 I81 L86 G87 V88 V130 C131 P134 | I63-L84 HydrophobicContact CD1-CD2 4.42Å; I63-L84 HydrophobicContact CG2-CD1 4.47Å; F80-L84 WeakPolarHBondContact O-CB 3.48Å; F80-L84 VanDerWaalsContact O-CG 3.29Å; F80-L84 WeakPolarHBondContact O-CG 3.24Å; F80-L84 PolarHBondContact O-N 3.39Å; I81-L84 PolarHBondContact O-N 3.14Å; L84-L86 VanDerWaalsContact C-N 3.31Å; L84-L86 PolarHBondContact O-N 3.08Å; L84-G87 WeakPolarHBondContact O-CA 3.4Å; L84-G87 PolarHBondContact O-N 2.94Å; L84-V88 PolarHBondContact O-N 2.99Å; L84-V130 HydrophobicContact CD1-CG1 3.86Å; L84-V130 HydrophobicContact CD2-CB 4.28Å; L84-V130 HydrophobicContact CD2-CG1 3.83Å; L84-C131 HydrophobicContact CB-CB 4.1Å; L84-C131 HydrophobicContact CD1-CB 4.22Å; L84-P134 HydrophobicContact CD1-CG 4Å |
| 85 | S | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.1 | -38.2 | 172.9 | -65.7 | 0 | 0 | 0 | 0 | 112.2 | I81 G87 V88 L89 F199 | I81-S85 VanDerWaalsContact O-CB 3.28Å; I81-S85 WeakPolarHBondContact O-CB 3.2Å; I81-S85 PolarHBondContact O-N 3.27Å; I81-S85 PolarHBondContact O-OG 2.75Å; S85-G87 VanDerWaalsContact C-N 3.3Å; S85-G87 PolarHBondContact O-N 3.17Å; S85-V88 PolarHBondContact O-N 3.14Å; S85-L89 WeakPolarHBondContact O-CG 3.36Å; S85-L89 PolarHBondContact O-N 3.48Å; S85-F199 WeakPolarHBondContact O-CE1 3.48Å |
| 86 | L | 95.5 | Very high | 92.5 | Very high | 91 Ų | 91 | 39.1 Ų | 39.1 | 48% | 0.476 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.5 | -39.6 | 172.2 | -179.5 | 64.3 | 0 | 0 | 0 | 111.3 | W82 L83 L84 L89 L90 | W82-L86 WeakPolarHBondContact O-CB 3.25Å; W82-L86 PolarHBondContact O-N 3.07Å; L83-L86 PolarHBondContact O-N 2.73Å; L84-L86 VanDerWaalsContact C-N 3.31Å; L84-L86 PolarHBondContact O-N 3.08Å; L86-L89 PolarHBondContact O-N 3.41Å; L86-L90 HydrophobicContact CD1-CG 4.45Å; L86-L90 HydrophobicContact CG-CD1 4.2Å; L86-L90 HydrophobicContact CG-CG 4.49Å; L86-L90 WeakPolarHBondContact O-CB 3.4Å; L86-L90 VanDerWaalsContact O-CG 3.26Å; L86-L90 WeakPolarHBondContact O-CG 3.39Å; L86-L90 PolarHBondContact O-N 3.09Å |
| 87 | G | 95.7 | Very high | 92.7 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 9% | 0.093 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.8 | -46.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L83 L84 S85 L89 L90 A91 L123 | L83-G87 PolarHBondContact O-N 3.02Å; L83-G87 VanDerWaalsContact O-N 3.13Å; L84-G87 WeakPolarHBondContact O-CA 3.4Å; L84-G87 PolarHBondContact O-N 2.94Å; S85-G87 VanDerWaalsContact C-N 3.3Å; S85-G87 PolarHBondContact O-N 3.17Å; G87-L89 PolarHBondContact O-N 3.16Å; G87-L90 PolarHBondContact O-N 2.79Å; G87-A91 WeakPolarHBondContact O-CB 3.28Å; G87-A91 PolarHBondContact O-N 3.31Å; G87-L123 WeakPolarHBondContact O-CD2 3.13Å |
| 88 | V | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.5 | -44.9 | 174.8 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | L20 L84 S85 L90 A91 L92 L124 C127 F199 | L20-V88 HydrophobicContact CD1-CG2 3.98Å; L84-V88 PolarHBondContact O-N 2.99Å; S85-V88 PolarHBondContact O-N 3.14Å; V88-L90 PolarHBondContact O-N 3.27Å; V88-A91 WeakPolarHBondContact O-CB 3.2Å; V88-A91 PolarHBondContact O-N 3.08Å; V88-L92 HydrophobicContact CG1-CD1 4.08Å; V88-L92 HydrophobicContact CG1-CG 4.35Å; V88-L92 WeakPolarHBondContact O-CG 3.28Å; V88-L92 PolarHBondContact O-N 3.27Å; V88-L124 HydrophobicContact CG1-CD1 3.87Å; V88-C127 HydrophobicContact CG2-CB 3.65Å; V88-F199 HydrophobicContact CB-CE1 3.81Å; V88-F199 HydrophobicContact CB-CE2 4.39Å; V88-F199 HydrophobicContact CB-CZ 3.71Å; V88-F199 HydrophobicContact CG1-CD1 4.12Å; V88-F199 HydrophobicContact CG1-CD2 4.17Å; V88-F199 HydrophobicContact CG1-CE1 3.8Å; V88-F199 HydrophobicContact CG1-CE2 3.87Å; V88-F199 HydrophobicContact CG1-CG 4.28Å; V88-F199 HydrophobicContact CG1-CZ 3.65Å; V88-F199 HydrophobicContact CG2-CZ 4.14Å |
| 89 | L | 96.6 | Very high | 92.4 | Very high | 38 Ų | 38 | 39 Ų | 39 | 20% | 0.199 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.4 | -41.2 | 177.5 | -74.9 | 171 | 0 | 0 | 0 | 112.7 | S85 L86 G87 A91 F93 I196 F199 V200 | S85-L89 WeakPolarHBondContact O-CG 3.36Å; S85-L89 PolarHBondContact O-N 3.48Å; L86-L89 PolarHBondContact O-N 3.41Å; G87-L89 PolarHBondContact O-N 3.16Å; L89-A91 VanDerWaalsContact C-N 3.33Å; L89-F93 WeakPolarHBondContact O-CB 3.45Å; L89-F93 PolarHBondContact O-N 3.32Å; L89-F93 VanDerWaalsContact O-N 3.11Å; L89-I196 HydrophobicContact CD2-CG2 4.21Å; L89-F199 HydrophobicContact CD1-CD1 4.45Å; L89-F199 HydrophobicContact CD2-CD1 3.61Å; L89-F199 HydrophobicContact CD2-CE1 4.38Å; L89-F199 HydrophobicContact CG-CD1 3.7Å; L89-F199 HydrophobicContact CG-CE1 3.96Å; L89-V200 HydrophobicContact CD1-CG2 4.24Å; L89-V200 HydrophobicContact CD2-CG2 3.58Å |
| 90 | L | 95.8 | Very high | 92.2 | Very high | 83 Ų | 83 | 41.3 Ų | 41.3 | 44% | 0.435 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 174.7 | -72.8 | 171.3 | 0 | 0 | 0 | 110.8 | L86 G87 V88 F93 I94 L123 | L86-L90 HydrophobicContact CD1-CG 4.45Å; L86-L90 HydrophobicContact CG-CD1 4.2Å; L86-L90 HydrophobicContact CG-CG 4.49Å; L86-L90 WeakPolarHBondContact O-CB 3.4Å; L86-L90 VanDerWaalsContact O-CG 3.26Å; L86-L90 WeakPolarHBondContact O-CG 3.39Å; L86-L90 PolarHBondContact O-N 3.09Å; G87-L90 PolarHBondContact O-N 2.79Å; V88-L90 PolarHBondContact O-N 3.27Å; L90-F93 PolarHBondContact O-N 2.98Å; L90-I94 HydrophobicContact CB-CD1 4.49Å; L90-I94 WeakPolarHBondContact O-CB 3.26Å; L90-I94 WeakPolarHBondContact O-CD1 3.24Å; L90-I94 WeakPolarHBondContact O-CG1 3.46Å; L90-I94 PolarHBondContact O-N 3.13Å; L90-L123 HydrophobicContact CB-CD2 4.17Å |
| 91 | A | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.3 | -48.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G87 V88 L89 F93 I94 I95 G120 L123 L124 | G87-A91 WeakPolarHBondContact O-CB 3.28Å; G87-A91 PolarHBondContact O-N 3.31Å; V88-A91 WeakPolarHBondContact O-CB 3.2Å; V88-A91 PolarHBondContact O-N 3.08Å; L89-A91 VanDerWaalsContact C-N 3.33Å; A91-F93 PolarHBondContact O-N 3.46Å; A91-I94 PolarHBondContact O-N 3.33Å; A91-I94 VanDerWaalsContact O-N 3.13Å; A91-I95 WeakPolarHBondContact O-CD1 3.37Å; A91-I95 VanDerWaalsContact O-CG1 3.26Å; A91-I95 WeakPolarHBondContact O-CG1 3.42Å; A91-I95 PolarHBondContact O-N 3.21Å; A91-G120 WeakPolarHBondContact CB-O 3.24Å; A91-L123 HydrophobicContact CB-CB 4.09Å; A91-L123 HydrophobicContact CB-CD2 4.2Å; A91-L123 HydrophobicContact CB-CG 4.13Å; A91-L124 HydrophobicContact CB-CB 3.73Å; A91-L124 HydrophobicContact CB-CD1 4.39Å |
| 92 | L | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.2 | -25.1 | 176.6 | -67.9 | 174.6 | 0 | 0 | 0 | 113.1 | V88 P96 L124 F192 L195 I196 F199 | V88-L92 HydrophobicContact CG1-CD1 4.08Å; V88-L92 HydrophobicContact CG1-CG 4.35Å; V88-L92 WeakPolarHBondContact O-CG 3.28Å; V88-L92 PolarHBondContact O-N 3.27Å; L92-P96 WeakPolarHBondContact O-CD 3.47Å; L92-P96 WeakPolarHBondContact O-CG 3.49Å; L92-L124 HydrophobicContact CD2-CD1 4.16Å; L92-L124 HydrophobicContact CD2-CD2 4.42Å; L92-L124 HydrophobicContact CG-CD1 4.35Å; L92-F192 HydrophobicContact CD2-CD1 3.82Å; L92-F192 HydrophobicContact CD2-CE1 4.03Å; L92-L195 HydrophobicContact CD1-CB 4.35Å; L92-L195 HydrophobicContact CD2-CB 4.28Å; L92-L195 HydrophobicContact CD2-CD1 4.27Å; L92-I196 HydrophobicContact CB-CD1 4.18Å; L92-I196 HydrophobicContact CB-CG1 3.66Å; L92-I196 HydrophobicContact CD1-CG1 4.13Å; L92-F199 HydrophobicContact CD1-CB 4.33Å |
| 93 | F | 93.4 | Very high | 91.1 | Very high | 106 Ų | 106 | 40.6 Ų | 40.6 | 47% | 0.465 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -82.7 | -41.6 | 173.1 | 179.7 | -100.1 | 0 | 0 | 0 | 112.6 | L89 L90 A91 N97 | L89-F93 WeakPolarHBondContact O-CB 3.45Å; L89-F93 PolarHBondContact O-N 3.32Å; L89-F93 VanDerWaalsContact O-N 3.11Å; L90-F93 PolarHBondContact O-N 2.98Å; A91-F93 PolarHBondContact O-N 3.46Å; F93-N97 WeakPolarHBondContact O-CB 3.26Å; F93-N97 PolarHBondContact O-ND2 3.44Å |
| 94 | I | 92.9 | Very high | 90.6 | Very high | 27 Ų | 27 | 44.7 Ų | 44.7 | 14% | 0.138 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.4 | -44.4 | -177.4 | -71 | 163.2 | 0 | 0 | 0 | 111.3 | L90 A91 N97 A98 L101 F116 | L90-I94 HydrophobicContact CB-CD1 4.49Å; L90-I94 WeakPolarHBondContact O-CB 3.26Å; L90-I94 WeakPolarHBondContact O-CD1 3.24Å; L90-I94 WeakPolarHBondContact O-CG1 3.46Å; L90-I94 PolarHBondContact O-N 3.13Å; A91-I94 PolarHBondContact O-N 3.33Å; A91-I94 VanDerWaalsContact O-N 3.13Å; I94-N97 CarbonylContact O-C 3.59Å; I94-N97 PolarHBondContact O-N 3.05Å; I94-N97 VanDerWaalsContact O-N 3.17Å; I94-A98 PolarHBondContact O-N 2.99Å; I94-L101 HydrophobicContact CB-CD1 4.37Å; I94-L101 HydrophobicContact CG1-CD1 4.11Å; I94-L101 HydrophobicContact CG2-CD1 4.22Å; I94-F116 HydrophobicContact CG2-CB 4.47Å; I94-F116 WeakPolarHBondContact CG2-O 3.41Å |
| 95 | I | 91.3 | Very high | 89.9 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -56.1 | -174.3 | -67.1 | 162.9 | 0 | 0 | 0 | 112.5 | L34 A91 N97 L117 L124 F192 | L34-I95 HydrophobicContact CD1-CG2 4.21Å; A91-I95 WeakPolarHBondContact O-CD1 3.37Å; A91-I95 VanDerWaalsContact O-CG1 3.26Å; A91-I95 WeakPolarHBondContact O-CG1 3.42Å; A91-I95 PolarHBondContact O-N 3.21Å; I95-N97 VanDerWaalsContact C-N 3.31Å; I95-N97 PolarHBondContact O-N 3.18Å; I95-L117 HydrophobicContact CG2-CD1 3.98Å; I95-L124 HydrophobicContact CD1-CB 4.28Å; I95-L124 HydrophobicContact CD1-CD2 3.87Å; I95-F192 HydrophobicContact CB-CE1 4.01Å; I95-F192 HydrophobicContact CB-CZ 4.13Å; I95-F192 HydrophobicContact CD1-CE1 4.01Å; I95-F192 HydrophobicContact CD1-CZ 4.46Å; I95-F192 HydrophobicContact CG2-CE1 3.81Å; I95-F192 HydrophobicContact CG2-CE2 3.9Å; I95-F192 HydrophobicContact CG2-CZ 3.4Å |
| 96 | P | 88.9 | Confident | 88.6 | Confident | 27 Ų | 27 | 53.5 Ų | 53.5 | 18% | 0.175 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -20.4 | 179.8 | 29.2 | -37.1 | 0 | 0 | 0 | 113.8 | L92 E189 F192 | L92-P96 WeakPolarHBondContact O-CD 3.47Å; L92-P96 WeakPolarHBondContact O-CG 3.49Å; P96-E189 HydrophobicContact CB-CG 4.39Å; P96-F192 HydrophobicContact CB-CB 4.19Å; P96-F192 HydrophobicContact CB-CD2 4.08Å; P96-F192 HydrophobicContact CB-CG 4.23Å; P96-F192 HydrophobicContact CG-CB 3.74Å; P96-F192 HydrophobicContact CG-CD1 4.49Å; P96-F192 HydrophobicContact CG-CD2 4.28Å; P96-F192 HydrophobicContact CG-CG 3.94Å |
| 97 | N | 87.4 | Confident | 87.2 | Confident | 33 Ų | 33 | 59.6 Ų | 59.6 | 18% | 0.176 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 15.8 | -176 | -65.3 | -85.1 | 0 | 0 | 0 | 113.2 | F93 I94 I95 D99 L100 L101 | F93-N97 WeakPolarHBondContact O-CB 3.26Å; F93-N97 PolarHBondContact O-ND2 3.44Å; I94-N97 CarbonylContact O-C 3.59Å; I94-N97 PolarHBondContact O-N 3.05Å; I94-N97 VanDerWaalsContact O-N 3.17Å; I95-N97 VanDerWaalsContact C-N 3.31Å; I95-N97 PolarHBondContact O-N 3.18Å; N97-D99 PolarHBondContact O-N 3.49Å; N97-L100 PolarHBondContact O-N 3.48Å; N97-L100 WeakPolarHBondContact OD1-CD1 3.14Å; N97-L101 VanDerWaalsContact O-CG 3.32Å; N97-L101 WeakPolarHBondContact O-CG 3.44Å; N97-L101 PolarHBondContact O-N 3.01Å |
| 98 | A | 86.4 | Confident | 85.3 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 3% | 0.025 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.8 | -40.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112 | I94 L101 A102 F116 L117 | I94-A98 PolarHBondContact O-N 2.99Å; A98-L101 PolarHBondContact O-N 2.96Å; A98-A102 WeakPolarHBondContact O-CB 3.22Å; A98-A102 PolarHBondContact O-N 2.91Å; A98-F116 HydrophobicContact CB-CB 4.23Å; A98-L117 HydrophobicContact CB-CB 4.29Å |
| 99 | D | 83 | Confident | 84 | Confident | 97 Ų | 97 | 68.9 Ų | 68.9 | 52% | 0.519 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.8 | -46.2 | -179.4 | -57 | 0.6 | 0 | 0 | 0 | 111.5 | N97 L101 A102 A103 Q113 | N97-D99 PolarHBondContact O-N 3.49Å; D99-L101 VanDerWaalsContact C-N 3.32Å; D99-L101 PolarHBondContact O-N 3.37Å; D99-A102 PolarHBondContact O-N 3.38Å; D99-A103 WeakPolarHBondContact O-CB 3.07Å; D99-A103 PolarHBondContact O-N 3.5Å; D99-Q113 VanDerWaalsContact CG-NE2 3.32Å; D99-Q113 WeakPolarHBondContact OD1-CG 3.37Å; D99-Q113 PolarHBondContact OD1-NE2 2.82Å |
| 100 | L | 84.7 | Confident | 82.7 | Confident | 89 Ų | 89 | 74.9 Ų | 74.9 | 47% | 0.466 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.7 | -39 | 177.1 | -70.9 | 166.2 | 0 | 0 | 0 | 111.3 | N97 R104 | N97-L100 PolarHBondContact O-N 3.48Å; N97-L100 WeakPolarHBondContact OD1-CD1 3.14Å; L100-R104 WeakPolarHBondContact O-CG 3.3Å; L100-R104 PolarHBondContact O-N 3.46Å |
| 101 | L | 85.3 | Confident | 81.9 | Confident | 40 Ų | 40 | 76 Ų | 76 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.1 | -40.3 | 177.3 | -71 | 171.2 | 0 | 0 | 0 | 111.7 | I94 N97 A98 D99 R104 F116 | I94-L101 HydrophobicContact CB-CD1 4.37Å; I94-L101 HydrophobicContact CG1-CD1 4.11Å; I94-L101 HydrophobicContact CG2-CD1 4.22Å; N97-L101 VanDerWaalsContact O-CG 3.32Å; N97-L101 WeakPolarHBondContact O-CG 3.44Å; N97-L101 PolarHBondContact O-N 3.01Å; A98-L101 PolarHBondContact O-N 2.96Å; D99-L101 VanDerWaalsContact C-N 3.32Å; D99-L101 PolarHBondContact O-N 3.37Å; L101-R104 PolarHBondContact O-N 3.15Å; L101-F116 HydrophobicContact CB-CD2 4.05Å; L101-F116 HydrophobicContact CB-CE2 4.04Å; L101-F116 HydrophobicContact CB-CG 4.49Å |
| 102 | A | 84.1 | Confident | 81.3 | Confident | 7 Ų | 7 | 78.5 Ų | 78.5 | 6% | 0.058 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.2 | -43 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A98 D99 R104 L105 L112 Q113 F116 | A98-A102 WeakPolarHBondContact O-CB 3.22Å; A98-A102 PolarHBondContact O-N 2.91Å; D99-A102 PolarHBondContact O-N 3.38Å; A102-R104 VanDerWaalsContact C-N 3.25Å; A102-R104 PolarHBondContact O-N 3.47Å; A102-L105 PolarHBondContact O-N 3.38Å; A102-L105 VanDerWaalsContact O-N 3.15Å; A102-L112 HydrophobicContact CB-CD2 3.75Å; A102-Q113 HydrophobicContact CB-CB 4.05Å; A102-F116 HydrophobicContact CB-CD2 4.25Å |
| 103 | A | 83 | Confident | 80.8 | Confident | 77 Ų | 77 | 81.2 Ų | 81.2 | 64% | 0.636 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.6 | -24.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | D99 L105 | D99-A103 WeakPolarHBondContact O-CB 3.07Å; D99-A103 PolarHBondContact O-N 3.5Å; A103-L105 VanDerWaalsContact C-N 3.28Å; A103-L105 PolarHBondContact O-N 2.89Å |
| 104 | R | 83.6 | Confident | 80.5 | Confident | 193 Ų | 193 | 77.7 Ų | 77.7 | 73% | 0.728 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -12 | 177 | -69.9 | -150.9 | -172.9 | 103 | 2.3 | 114 | L100 L101 A102 | L100-R104 WeakPolarHBondContact O-CG 3.3Å; L100-R104 PolarHBondContact O-N 3.46Å; L101-R104 PolarHBondContact O-N 3.15Å; A102-R104 VanDerWaalsContact C-N 3.25Å; A102-R104 PolarHBondContact O-N 3.47Å |
| 105 | L | 80.9 | Confident | 80.3 | Confident | 76 Ų | 76 | 78.1 Ų | 78.1 | 40% | 0.398 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -96.5 | 127.2 | 178.2 | -73.7 | 165.1 | 0 | 0 | 0 | 109.5 | A102 A103 W107 A108 L112 F116 | A102-L105 PolarHBondContact O-N 3.38Å; A102-L105 VanDerWaalsContact O-N 3.15Å; A103-L105 VanDerWaalsContact C-N 3.28Å; A103-L105 PolarHBondContact O-N 2.89Å; L105-W107 PolarHBondContact O-N 3.23Å; L105-A108 PolarHBondContact O-N 3.09Å; L105-L112 HydrophobicContact CB-CD2 4.45Å; L105-L112 HydrophobicContact CD1-CD1 4.43Å; L105-L112 HydrophobicContact CD1-CD2 3.82Å; L105-F116 HydrophobicContact CD1-CE2 3.83Å; L105-F116 HydrophobicContact CD1-CZ 3.7Å |
| 106 | P | 67 | Low | 80.2 | Confident | 120 Ų | 120 | 80.2 Ų | 80.2 | 78% | 0.779 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -67.2 | 0.6 | -173.2 | 20.5 | -27.5 | 0 | 0 | 0 | 115.1 | ||
| 107 | W | 65.9 | Low | 80.3 | Confident | 220 Ų | 220 | 79.5 Ų | 79.5 | 83% | 0.833 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -113.5 | 42.5 | 179.9 | -53.3 | 60.9 | 0 | 0 | 0 | 109.1 | L105 E109 | L105-W107 PolarHBondContact O-N 3.23Å; W107-E109 PolarHBondContact O-N 3.35Å |
| 108 | A | 56.2 | Low | 80.5 | Confident | 64 Ų | 64 | 80.5 Ų | 80.5 | 53% | 0.529 | 43% | 0.425 | S | S | . | . | trans | -72.8 | 87.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L105 | L105-A108 PolarHBondContact O-N 3.09Š| ||
| 109 | E | 68.3 | Low | 80.7 | Confident | 139 Ų | 139 | 85.2 Ų | 85.2 | 65% | 0.65 | 45% | 0.449 | S | S | * | . | trans | -95.9 | 150.7 | 165.1 | -70.5 | -74 | 162.8 | 0 | 0 | 109.5 | W107 T111 L112 | W107-E109 PolarHBondContact O-N 3.35Å; E109-T111 VanDerWaalsContact CB-OG1 3.27Å; E109-T111 WeakPolarHBondContact CB-OG1 3.13Å; E109-T111 PolarHBondContact O-N 3.42Å; E109-L112 WeakPolarHBondContact O-CB 3.26Å; E109-L112 PolarHBondContact O-N 3.38Å | ||
| 110 | Q | 69.4 | Low | 81.2 | Confident | 164 Ų | 164 | 80.6 Ų | 80.6 | 77% | 0.766 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -53.4 | -27.9 | 175.3 | -81.1 | 174.5 | -35.4 | 0 | 0 | 112.9 | L112 Q113 V114 | Q110-L112 PolarHBondContact O-N 3.4Å; Q110-Q113 PolarHBondContact O-N 3.34Å; Q110-V114 PolarHBondContact O-N 2.98Å |
| 111 | T | 78.3 | Confident | 81.5 | Confident | 108 Ų | 108 | 76.3 Ų | 76.3 | 66% | 0.663 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.5 | -27.7 | 175 | 40.8 | 0 | 0 | 0 | 0 | 113.6 | E109 G115 | E109-T111 VanDerWaalsContact CB-OG1 3.27Å; E109-T111 WeakPolarHBondContact CB-OG1 3.13Å; E109-T111 PolarHBondContact O-N 3.42Å; T111-G115 PolarHBondContact O-N 3.38Å |
| 112 | L | 82.4 | Confident | 81.8 | Confident | 52 Ų | 52 | 75.1 Ų | 75.1 | 27% | 0.272 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -81.4 | -32.7 | -176.4 | -162.6 | 135.4 | 0 | 0 | 0 | 112.3 | A102 L105 E109 Q110 G115 F116 | A102-L112 HydrophobicContact CB-CD2 3.75Å; L105-L112 HydrophobicContact CB-CD2 4.45Å; L105-L112 HydrophobicContact CD1-CD1 4.43Å; L105-L112 HydrophobicContact CD1-CD2 3.82Å; E109-L112 WeakPolarHBondContact O-CB 3.26Å; E109-L112 PolarHBondContact O-N 3.38Å; Q110-L112 PolarHBondContact O-N 3.4Å; L112-G115 PolarHBondContact O-N 2.96Å; L112-F116 HydrophobicContact CD2-CD2 3.73Å; L112-F116 HydrophobicContact CD2-CE2 3.29Å; L112-F116 HydrophobicContact CD2-CZ 4.21Å; L112-F116 HydrophobicContact CG-CE2 4.27Å; L112-F116 WeakPolarHBondContact O-CD2 3.4Å; L112-F116 PolarHBondContact O-N 2.99Å |
| 113 | Q | 84.6 | Confident | 82.3 | Confident | 57 Ų | 57 | 77 Ų | 77 | 27% | 0.266 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.1 | -53.2 | 170.3 | 179.6 | -169.5 | -7.3 | 0 | 0 | 110.7 | D99 A102 Q110 G115 F116 L117 | D99-Q113 VanDerWaalsContact CG-NE2 3.32Å; D99-Q113 WeakPolarHBondContact OD1-CG 3.37Å; D99-Q113 PolarHBondContact OD1-NE2 2.82Å; A102-Q113 HydrophobicContact CB-CB 4.05Å; Q110-Q113 PolarHBondContact O-N 3.34Å; Q113-G115 PolarHBondContact O-N 3.48Å; Q113-F116 PolarHBondContact O-N 3.05Å; Q113-L117 PolarHBondContact O-N 2.97Å |
| 114 | V | 86.7 | Confident | 82.8 | Confident | 31 Ų | 31 | 73.3 Ų | 73.3 | 19% | 0.188 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.1 | -39.5 | 176.6 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | A38 V40 Q110 L117 I118 | A38-V114 HydrophobicContact CB-CG2 4.39Å; A38-V114 WeakPolarHBondContact O-CG2 3.42Å; V40-V114 HydrophobicContact CG2-CG1 3.65Å; Q110-V114 PolarHBondContact O-N 2.98Å; V114-L117 PolarHBondContact O-N 2.91Å; V114-I118 HydrophobicContact CG1-CD1 3.68Å; V114-I118 HydrophobicContact CG1-CG1 4.24Å; V114-I118 WeakPolarHBondContact O-CB 3.48Å; V114-I118 VanDerWaalsContact O-CG1 3.28Å; V114-I118 WeakPolarHBondContact O-CG1 3.44Å; V114-I118 PolarHBondContact O-N 2.98Å |
| 115 | G | 88.5 | Confident | 83.2 | Confident | 37 Ų | 37 | 64.7 Ų | 64.7 | 38% | 0.381 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | T111 L112 Q113 L119 | T111-G115 PolarHBondContact O-N 3.38Å; L112-G115 PolarHBondContact O-N 2.96Å; Q113-G115 PolarHBondContact O-N 3.48Å; G115-L119 VanDerWaalsContact O-CB 3.31Å; G115-L119 WeakPolarHBondContact O-CB 3.23Å; G115-L119 PolarHBondContact O-N 2.82Å |
| 116 | F | 90.6 | Very high | 83.8 | Confident | 50 Ų | 50 | 62.6 Ų | 62.6 | 22% | 0.219 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.4 | -38.6 | 175.8 | -80.1 | -54.1 | 0 | 0 | 0 | 113 | I94 A98 L101 A102 L105 L112 Q113 L119 G120 | I94-F116 HydrophobicContact CG2-CB 4.47Å; I94-F116 WeakPolarHBondContact CG2-O 3.41Å; A98-F116 HydrophobicContact CB-CB 4.23Å; L101-F116 HydrophobicContact CB-CD2 4.05Å; L101-F116 HydrophobicContact CB-CE2 4.04Å; L101-F116 HydrophobicContact CB-CG 4.49Å; A102-F116 HydrophobicContact CB-CD2 4.25Å; L105-F116 HydrophobicContact CD1-CE2 3.83Å; L105-F116 HydrophobicContact CD1-CZ 3.7Å; L112-F116 HydrophobicContact CD2-CD2 3.73Å; L112-F116 HydrophobicContact CD2-CE2 3.29Å; L112-F116 HydrophobicContact CD2-CZ 4.21Å; L112-F116 HydrophobicContact CG-CE2 4.27Å; L112-F116 WeakPolarHBondContact O-CD2 3.4Å; L112-F116 PolarHBondContact O-N 2.99Å; Q113-F116 PolarHBondContact O-N 3.05Å; F116-L119 HydrophobicContact CD1-CD2 4.45Å; F116-L119 PolarHBondContact O-N 3.33Å; F116-G120 PolarHBondContact O-N 3.13Å |
| 117 | L | 90.4 | Very high | 85.2 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.9 | -49.8 | 176.4 | -178.4 | 61.1 | 0 | 0 | 0 | 110.8 | L35 A38 I95 A98 Q113 V114 L119 G120 V121 | L35-L117 HydrophobicContact CD2-CD2 3.8Å; L35-L117 HydrophobicContact CD2-CG 3.92Å; L35-L117 HydrophobicContact CG-CD2 4.48Å; A38-L117 HydrophobicContact CB-CD2 3.71Å; I95-L117 HydrophobicContact CG2-CD1 3.98Å; A98-L117 HydrophobicContact CB-CB 4.29Å; Q113-L117 PolarHBondContact O-N 2.97Å; V114-L117 PolarHBondContact O-N 2.91Å; L117-L119 VanDerWaalsContact C-N 3.28Å; L117-L119 PolarHBondContact O-N 2.89Å; L117-G120 PolarHBondContact O-N 3.43Å; L117-G120 VanDerWaalsContact O-N 3.17Å; L117-V121 HydrophobicContact CD1-CG2 4.38Å; L117-V121 VanDerWaalsContact O-CG2 3.27Å; L117-V121 WeakPolarHBondContact O-CG2 3.47Å; L117-V121 PolarHBondContact O-N 3.4Å |
| 118 | I | 90.7 | Very high | 86.5 | Confident | 54 Ų | 54 | 46.8 Ų | 46.8 | 28% | 0.277 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.1 | -41 | 176 | -68.2 | 171.9 | 0 | 0 | 0 | 110.9 | L35 V48 V114 G122 | L35-I118 HydrophobicContact CD2-CG1 4.25Å; V48-I118 HydrophobicContact CG1-CG1 4.47Å; V48-I118 HydrophobicContact CG1-CG2 4.1Å; V48-I118 HydrophobicContact CG2-CD1 4.19Å; V48-I118 HydrophobicContact CG2-CG1 4.16Å; V48-I118 HydrophobicContact CG2-CG2 4.11Å; V114-I118 HydrophobicContact CG1-CD1 3.68Å; V114-I118 HydrophobicContact CG1-CG1 4.24Å; V114-I118 WeakPolarHBondContact O-CB 3.48Å; V114-I118 VanDerWaalsContact O-CG1 3.28Å; V114-I118 WeakPolarHBondContact O-CG1 3.44Å; V114-I118 PolarHBondContact O-N 2.98Å; I118-G122 PolarHBondContact O-N 3.43Å |
| 119 | L | 92 | Very high | 88.2 | Confident | 101 Ų | 101 | 45.2 Ų | 45.2 | 53% | 0.529 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63 | -45.2 | 176 | 178.3 | 64.9 | 0 | 0 | 0 | 112 | G115 F116 L117 L123 | G115-L119 VanDerWaalsContact O-CB 3.31Å; G115-L119 WeakPolarHBondContact O-CB 3.23Å; G115-L119 PolarHBondContact O-N 2.82Å; F116-L119 HydrophobicContact CD1-CD2 4.45Å; F116-L119 PolarHBondContact O-N 3.33Å; L117-L119 VanDerWaalsContact C-N 3.28Å; L117-L119 PolarHBondContact O-N 2.89Å; L119-L123 WeakPolarHBondContact O-CB 3.27Å; L119-L123 PolarHBondContact O-N 3.05Å |
| 120 | G | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.9 | -46.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A91 F116 L117 L123 L124 | A91-G120 WeakPolarHBondContact CB-O 3.24Å; F116-G120 PolarHBondContact O-N 3.13Å; L117-G120 PolarHBondContact O-N 3.43Å; L117-G120 VanDerWaalsContact O-N 3.17Å; G120-L123 PolarHBondContact O-N 3.34Å; G120-L124 PolarHBondContact O-N 3.39Å |
| 121 | V | 91.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60 | -52.8 | 176 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | V31 V48 L49 L117 L123 L124 D125 | V31-V121 HydrophobicContact CB-CG2 4.27Å; V31-V121 HydrophobicContact CG1-CB 4.11Å; V31-V121 HydrophobicContact CG1-CG1 3.57Å; V31-V121 HydrophobicContact CG1-CG2 3.36Å; V31-V121 HydrophobicContact CG2-CG2 3.89Å; V48-V121 HydrophobicContact CG1-CG1 4Å; L49-V121 HydrophobicContact CD2-CG1 4.45Å; L117-V121 HydrophobicContact CD1-CG2 4.38Å; L117-V121 VanDerWaalsContact O-CG2 3.27Å; L117-V121 WeakPolarHBondContact O-CG2 3.47Å; L117-V121 PolarHBondContact O-N 3.4Å; V121-L123 VanDerWaalsContact C-N 3.25Å; V121-L123 PolarHBondContact O-N 2.95Å; V121-L124 PolarHBondContact O-N 3.22Å; V121-L124 VanDerWaalsContact O-N 3.14Å; V121-D125 PolarHBondContact O-N 2.81Å |
| 122 | G | 91.6 | Very high | 91.5 | Very high | 14 Ų | 14 | 27 Ų | 27 | 14% | 0.144 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.9 | -36 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I118 F126 | I118-G122 PolarHBondContact O-N 3.43Å; G122-F126 WeakPolarHBondContact O-CB 3.41Å; G122-F126 PolarHBondContact O-N 3.36Å |
| 123 | L | 93.4 | Very high | 92.1 | Very high | 47 Ų | 47 | 24.6 Ų | 24.6 | 25% | 0.246 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.8 | -40.5 | 175.8 | -173.6 | 65.1 | 0 | 0 | 0 | 112.2 | G87 L90 A91 L119 G120 V121 C127 | G87-L123 WeakPolarHBondContact O-CD2 3.13Å; L90-L123 HydrophobicContact CB-CD2 4.17Å; A91-L123 HydrophobicContact CB-CB 4.09Å; A91-L123 HydrophobicContact CB-CD2 4.2Å; A91-L123 HydrophobicContact CB-CG 4.13Å; L119-L123 WeakPolarHBondContact O-CB 3.27Å; L119-L123 PolarHBondContact O-N 3.05Å; G120-L123 PolarHBondContact O-N 3.34Å; V121-L123 VanDerWaalsContact C-N 3.25Å; V121-L123 PolarHBondContact O-N 2.95Å; L123-C127 VanDerWaalsContact O-CB 3.28Å; L123-C127 WeakPolarHBondContact O-CB 3.43Å; L123-C127 PolarHBondContact O-N 3.47Å |
| 124 | L | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.2 | -51.6 | 176.2 | -178.1 | 60.2 | 0 | 0 | 0 | 110.7 | V88 A91 L92 I95 G120 V121 G128 | V88-L124 HydrophobicContact CG1-CD1 3.87Å; A91-L124 HydrophobicContact CB-CB 3.73Å; A91-L124 HydrophobicContact CB-CD1 4.39Å; L92-L124 HydrophobicContact CD2-CD1 4.16Å; L92-L124 HydrophobicContact CD2-CD2 4.42Å; L92-L124 HydrophobicContact CG-CD1 4.35Å; I95-L124 HydrophobicContact CD1-CB 4.28Å; I95-L124 HydrophobicContact CD1-CD2 3.87Å; G120-L124 PolarHBondContact O-N 3.39Å; V121-L124 PolarHBondContact O-N 3.22Å; V121-L124 VanDerWaalsContact O-N 3.14Å; L124-G128 WeakPolarHBondContact O-CA 3.2Å; L124-G128 PolarHBondContact O-N 3.49Å |
| 125 | D | 92.6 | Very high | 92.9 | Very high | 12 Ų | 12 | 20.9 Ų | 20.9 | 6% | 0.064 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.4 | -45.9 | -178.3 | -73.4 | -15.2 | 0 | 0 | 0 | 111.2 | V121 Q129 | V121-D125 PolarHBondContact O-N 2.81Å; D125-Q129 WeakPolarHBondContact O-CB 3.38Å; D125-Q129 VanDerWaalsContact O-CG 3.26Å; D125-Q129 WeakPolarHBondContact O-CG 3.48Å; D125-Q129 PolarHBondContact O-N 2.95Å |
| 126 | F | 93.1 | Very high | 93.2 | Very high | 32 Ų | 32 | 19.5 Ų | 19.5 | 14% | 0.14 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.6 | -56.3 | 178.8 | 174.2 | -106.3 | 0 | 0 | 0 | 112.1 | L55 F59 G122 G128 Q129 V130 | L55-F126 HydrophobicContact CB-CD2 3.57Å; L55-F126 HydrophobicContact CB-CE2 3.93Å; L55-F126 HydrophobicContact CD1-CD2 4.4Å; F59-F126 HydrophobicContact CB-CE2 3.58Å; F59-F126 HydrophobicContact CB-CZ 3.63Å; F59-F126 HydrophobicContact CD1-CZ 4.2Å; F59-F126 AromaticContact CD2-CE2 3.52Å; F59-F126 HydrophobicContact CD2-CE2 3.52Å; F59-F126 AromaticContact CD2-CZ 3.74Å; F59-F126 HydrophobicContact CD2-CZ 3.74Å; F59-F126 HydrophobicContact CE2-CE2 4.39Å; F59-F126 HydrophobicContact CE2-CZ 4.44Å; F59-F126 AromaticContact CG-CE2 3.71Å; F59-F126 HydrophobicContact CG-CE2 3.71Å; F59-F126 AromaticContact CG-CZ 3.6Å; F59-F126 HydrophobicContact CG-CZ 3.6Å; G122-F126 WeakPolarHBondContact O-CB 3.41Å; G122-F126 PolarHBondContact O-N 3.36Å; F126-G128 VanDerWaalsContact C-N 3.29Å; F126-G128 PolarHBondContact O-N 3.47Å; F126-Q129 PolarHBondContact O-N 3.41Å; F126-V130 HydrophobicContact CD2-CG2 3.94Å; F126-V130 HydrophobicContact CE2-CG2 3.72Å; F126-V130 HydrophobicContact CZ-CG2 4.06Å; F126-V130 VanDerWaalsContact O-CB 3.29Å; F126-V130 WeakPolarHBondContact O-CB 3.14Å; F126-V130 WeakPolarHBondContact O-CG2 3.5Å; F126-V130 PolarHBondContact O-N 3.48Å |
| 127 | C | 94.9 | Very high | 93.3 | Very high | 7 Ų | 7 | 17.1 Ų | 17.1 | 5% | 0.047 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67.5 | -34 | -178.6 | -70.2 | 0 | 0 | 0 | 0 | 111.7 | V88 L123 C131 | V88-C127 HydrophobicContact CG2-CB 3.65Å; L123-C127 VanDerWaalsContact O-CB 3.28Å; L123-C127 WeakPolarHBondContact O-CB 3.43Å; L123-C127 PolarHBondContact O-N 3.47Å; C127-C131 WeakPolarHBondContact O-CB 3.42Å; C127-C131 PolarHBondContact O-N 2.77Å; C127-C131 VanDerWaalsContact O-N 3.12Å |
| 128 | G | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -54.8 | -58.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L20 L124 F126 C131 F132 | L20-G128 WeakPolarHBondContact CD2-O 3.09Å; L124-G128 WeakPolarHBondContact O-CA 3.2Å; L124-G128 PolarHBondContact O-N 3.49Å; F126-G128 VanDerWaalsContact C-N 3.29Å; F126-G128 PolarHBondContact O-N 3.47Å; G128-C131 PolarHBondContact O-N 3.27Å; G128-F132 WeakPolarHBondContact O-CD2 3.34Å |
| 129 | Q | 93.1 | Very high | 93.5 | Very high | 31 Ų | 31 | 14.7 Ų | 14.7 | 15% | 0.145 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.8 | -43.6 | -176.8 | -68.1 | 173.7 | 9.6 | 0 | 0 | 112.6 | G52 P53 D125 F126 C131 F132 L498 | G52-Q129 PolarHBondContact O-OE1 3.44Å; P53-Q129 VanDerWaalsContact CA-OE1 3.24Å; D125-Q129 WeakPolarHBondContact O-CB 3.38Å; D125-Q129 VanDerWaalsContact O-CG 3.26Å; D125-Q129 WeakPolarHBondContact O-CG 3.48Å; D125-Q129 PolarHBondContact O-N 2.95Å; F126-Q129 PolarHBondContact O-N 3.41Å; Q129-C131 VanDerWaalsContact C-N 3.27Å; Q129-C131 PolarHBondContact O-N 2.97Å; Q129-F132 PolarHBondContact O-N 3.44Å; Q129-L498 HydrophobicContact CB-CD2 4.46Å; Q129-L498 HydrophobicContact CG-CD2 4.35Å; Q129-L498 VanDerWaalsContact OE1-CD2 3.32Å |
| 130 | V | 94.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -69.8 | -24.5 | -175.9 | 174.5 | 0 | 0 | 0 | 0 | 112.6 | I60 I63 L84 F126 F132 P134 | I60-V130 HydrophobicContact CG1-CB 4.32Å; I60-V130 HydrophobicContact CG1-CG1 4.49Å; I60-V130 HydrophobicContact CG1-CG2 3.85Å; I63-V130 HydrophobicContact CB-CG1 4.4Å; I63-V130 HydrophobicContact CD1-CG1 3.25Å; I63-V130 HydrophobicContact CG1-CG1 4.39Å; I63-V130 HydrophobicContact CG2-CG1 4.44Å; L84-V130 HydrophobicContact CD1-CG1 3.86Å; L84-V130 HydrophobicContact CD2-CB 4.28Å; L84-V130 HydrophobicContact CD2-CG1 3.83Å; F126-V130 HydrophobicContact CD2-CG2 3.94Å; F126-V130 HydrophobicContact CE2-CG2 3.72Å; F126-V130 HydrophobicContact CZ-CG2 4.06Å; F126-V130 VanDerWaalsContact O-CB 3.29Å; F126-V130 WeakPolarHBondContact O-CB 3.14Å; F126-V130 WeakPolarHBondContact O-CG2 3.5Å; F126-V130 PolarHBondContact O-N 3.48Å; V130-F132 VanDerWaalsContact C-N 3.35Å; V130-P134 WeakPolarHBondContact O-CD 3.39Å |
| 131 | C | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -73.6 | -22.3 | -178 | -168.5 | 0 | 0 | 0 | 0 | 113.5 | L20 L84 C127 G128 Q129 T133 P134 L135 | L20-C131 HydrophobicContact CD1-CB 4.29Å; L20-C131 HydrophobicContact CD2-CB 3.75Å; L84-C131 HydrophobicContact CB-CB 4.1Å; L84-C131 HydrophobicContact CD1-CB 4.22Å; C127-C131 WeakPolarHBondContact O-CB 3.42Å; C127-C131 PolarHBondContact O-N 2.77Å; C127-C131 VanDerWaalsContact O-N 3.12Å; G128-C131 PolarHBondContact O-N 3.27Å; Q129-C131 VanDerWaalsContact C-N 3.27Å; Q129-C131 PolarHBondContact O-N 2.97Å; C131-T133 PolarHBondContact O-N 2.91Å; C131-P134 WeakPolarHBondContact O-CD 3.34Å; C131-P134 VanDerWaalsContact O-CG 3.3Å; C131-P134 WeakPolarHBondContact O-CG 3.3Å; C131-L135 WeakPolarHBondContact O-CD1 3.26Å; C131-L135 VanDerWaalsContact O-CG 3.24Å; C131-L135 WeakPolarHBondContact O-CG 3.43Å; C131-L135 PolarHBondContact O-N 3.49Å |
| 132 | F | 94.8 | Very high | 93.1 | Very high | 30 Ų | 30 | 15.1 Ų | 15.1 | 13% | 0.132 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 176.3 | -74.9 | -70.8 | 0 | 0 | 0 | 112.4 | T17 L20 E21 G128 Q129 V130 L135 E136 F156 V160 | T17-F132 HydrophobicContact CG2-CD1 4.16Å; T17-F132 HydrophobicContact CG2-CE1 3.75Å; L20-F132 HydrophobicContact CD2-CD1 4.17Å; L20-F132 HydrophobicContact CD2-CD2 4.06Å; L20-F132 HydrophobicContact CD2-CE1 3.98Å; L20-F132 HydrophobicContact CD2-CE2 3.85Å; L20-F132 HydrophobicContact CD2-CG 4.22Å; L20-F132 HydrophobicContact CD2-CZ 3.81Å; L20-F132 HydrophobicContact CG-CE2 4.36Å; L20-F132 HydrophobicContact CG-CZ 4.22Å; E21-F132 HydrophobicContact CB-CZ 4.42Å; E21-F132 VanDerWaalsContact OE2-CZ 3.26Å; E21-F132 WeakPolarHBondContact OE2-CZ 3.43Å; G128-F132 WeakPolarHBondContact O-CD2 3.34Å; Q129-F132 PolarHBondContact O-N 3.44Å; V130-F132 VanDerWaalsContact C-N 3.35Å; F132-L135 WeakPolarHBondContact O-CA 3.43Å; F132-L135 WeakPolarHBondContact O-CB 3.31Å; F132-L135 PolarHBondContact O-N 3.06Å; F132-E136 WeakPolarHBondContact O-CG 3.35Å; F132-E136 PolarHBondContact O-N 2.55Å; F132-F156 AromaticContact CD1-CZ 3.8Å; F132-F156 HydrophobicContact CD1-CZ 3.8Å; F132-F156 HydrophobicContact CE1-CZ 4.5Å; F132-V160 HydrophobicContact CE1-CG2 4.14Å |
| 133 | T | 94.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -55.3 | -52.7 | -179 | -48.4 | 0 | 0 | 0 | 0 | 114.2 | I60 C131 L135 E136 A137 F490 A491 D494 | I60-T133 HydrophobicContact CG2-CG2 4.3Å; I60-T133 WeakPolarHBondContact CG2-OG1 3.31Å; C131-T133 PolarHBondContact O-N 2.91Å; T133-L135 VanDerWaalsContact C-N 3.3Å; T133-L135 PolarHBondContact O-N 3.33Å; T133-E136 PolarHBondContact O-N 3.32Å; T133-A137 WeakPolarHBondContact O-CB 3.26Å; T133-A137 PolarHBondContact O-N 3.3Å; T133-F490 HydrophobicContact CG2-CB 4.42Å; T133-A491 HydrophobicContact CG2-CB 3.68Å; T133-D494 VanDerWaalsContact CA-OD2 3.26Å; T133-D494 WeakPolarHBondContact CA-OD2 3.44Å; T133-D494 VanDerWaalsContact CB-OD2 3.23Å; T133-D494 WeakPolarHBondContact CB-OD2 3.3Å; T133-D494 PolarHBondContact OG1-OD2 3.35Å |
| 134 | P | 94 | Very high | 92 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -69.2 | -24.7 | 176.6 | 27.7 | -35.3 | 0 | 0 | 0 | 113.4 | I81 L84 V130 C131 L138 | I81-P134 HydrophobicContact CG1-CB 3.86Å; I81-P134 HydrophobicContact CG1-CG 4.12Å; L84-P134 HydrophobicContact CD1-CG 4Å; V130-P134 WeakPolarHBondContact O-CD 3.39Å; C131-P134 WeakPolarHBondContact O-CD 3.34Å; C131-P134 VanDerWaalsContact O-CG 3.3Å; C131-P134 WeakPolarHBondContact O-CG 3.3Å; P134-L138 VanDerWaalsContact O-CB 3.24Å; P134-L138 WeakPolarHBondContact O-CB 3.26Å; P134-L138 PolarHBondContact O-N 3.46Å |
| 135 | L | 94.7 | Very high | 91.4 | Very high | 9 Ų | 9 | 29 Ų | 29 | 5% | 0.047 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.2 | -44.9 | 173.2 | -71.7 | 167.8 | 0 | 0 | 0 | 111.5 | L16 L20 I81 C131 F132 T133 L138 L139 F156 | L16-L135 HydrophobicContact CB-CD2 4.43Å; L16-L135 HydrophobicContact CD2-CD2 3.75Å; L16-L135 HydrophobicContact CG-CD1 4.24Å; L16-L135 HydrophobicContact CG-CD2 4.1Å; L20-L135 HydrophobicContact CD2-CD1 4.06Å; I81-L135 HydrophobicContact CD1-CD2 4.08Å; I81-L135 HydrophobicContact CG2-CD2 4.12Å; C131-L135 WeakPolarHBondContact O-CD1 3.26Å; C131-L135 VanDerWaalsContact O-CG 3.24Å; C131-L135 WeakPolarHBondContact O-CG 3.43Å; C131-L135 PolarHBondContact O-N 3.49Å; F132-L135 WeakPolarHBondContact O-CA 3.43Å; F132-L135 WeakPolarHBondContact O-CB 3.31Å; F132-L135 PolarHBondContact O-N 3.06Å; T133-L135 VanDerWaalsContact C-N 3.3Å; T133-L135 PolarHBondContact O-N 3.33Å; L135-L138 PolarHBondContact O-N 2.84Å; L135-L139 WeakPolarHBondContact O-CB 3.39Å; L135-L139 PolarHBondContact O-N 3.24Å; L135-F156 HydrophobicContact CB-CE2 4.32Å |
| 136 | E | 94.8 | Very high | 90.5 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.9 | -42.6 | 175.1 | -67.4 | 172.5 | 172.1 | 0 | 0 | 111.6 | F132 T133 L138 L139 S140 F153 F156 Y411 F490 | F132-E136 WeakPolarHBondContact O-CG 3.35Å; F132-E136 PolarHBondContact O-N 2.55Å; T133-E136 PolarHBondContact O-N 3.32Å; E136-L138 VanDerWaalsContact C-N 3.35Å; E136-L138 PolarHBondContact O-N 3.04Å; E136-L139 WeakPolarHBondContact O-CB 3.39Å; E136-L139 PolarHBondContact O-N 3.26Å; E136-S140 PolarHBondContact O-N 2.75Å; E136-F153 HydrophobicContact CB-CE1 4.02Å; E136-F153 HydrophobicContact CB-CZ 4.41Å; E136-F153 HydrophobicContact CG-CE1 4.1Å; E136-F156 HydrophobicContact CG-CE1 4.02Å; E136-F156 HydrophobicContact CG-CE2 3.73Å; E136-F156 HydrophobicContact CG-CZ 3.41Å; E136-F156 VanDerWaalsContact CG-CZ 3.41Å; E136-Y411 VanDerWaalsContact CD-CE1 3.45Å; E136-Y411 WeakPolarHBondContact OE2-CD1 3.42Å; E136-Y411 WeakPolarHBondContact OE2-CE1 3.29Å; E136-F490 HydrophobicContact CB-CD2 4.18Å; E136-F490 HydrophobicContact CB-CE2 4.44Å; E136-F490 WeakPolarHBondContact O-CE2 3.25Å |
| 137 | A | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T133 L139 S140 D141 F490 | T133-A137 WeakPolarHBondContact O-CB 3.26Å; T133-A137 PolarHBondContact O-N 3.3Å; A137-L139 VanDerWaalsContact C-N 3.34Å; A137-L139 PolarHBondContact O-N 3.03Å; A137-S140 PolarHBondContact O-N 3.44Å; A137-S140 PolarHBondContact O-OG 3.2Å; A137-D141 WeakPolarHBondContact O-CB 3.48Å; A137-D141 PolarHBondContact O-N 2.93Å; A137-F490 HydrophobicContact CB-CD2 4.1Å |
| 138 | L | 92.4 | Very high | 89.3 | Confident | 14 Ų | 14 | 39.2 Ų | 39.2 | 7% | 0.073 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 175 | 176.7 | 65.2 | 0 | 0 | 0 | 111.7 | R77 I81 P134 L135 E136 D141 L142 | R77-L138 HydrophobicContact CB-CB 4.25Å; R77-L138 HydrophobicContact CB-CD1 4.4Å; R77-L138 HydrophobicContact CG-CB 4.39Å; I81-L138 HydrophobicContact CD1-CB 4.26Å; I81-L138 HydrophobicContact CD1-CD2 3.67Å; P134-L138 VanDerWaalsContact O-CB 3.24Å; P134-L138 WeakPolarHBondContact O-CB 3.26Å; P134-L138 PolarHBondContact O-N 3.46Å; L135-L138 PolarHBondContact O-N 2.84Å; E136-L138 VanDerWaalsContact C-N 3.35Å; E136-L138 PolarHBondContact O-N 3.04Å; L138-D141 PolarHBondContact O-N 3.39Å; L138-L142 HydrophobicContact CD1-CD1 4.15Å; L138-L142 HydrophobicContact CD1-CG 4.34Å; L138-L142 HydrophobicContact CG-CD1 4.1Å; L138-L142 WeakPolarHBondContact O-CG 3.3Å; L138-L142 PolarHBondContact O-N 2.94Å; L138-L142 VanDerWaalsContact O-N 3.09Å |
| 139 | L | 92.8 | Very high | 88.9 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 178.6 | -170.4 | 64.7 | 0 | 0 | 0 | 111.4 | L13 L135 E136 A137 L142 Y143 A152 F153 F156 | L13-L139 HydrophobicContact CD2-CD1 3.49Å; L13-L139 VanDerWaalsContact CD2-CD1 3.49Å; L13-L139 HydrophobicContact CG-CD1 4.38Å; L135-L139 WeakPolarHBondContact O-CB 3.39Å; L135-L139 PolarHBondContact O-N 3.24Å; E136-L139 WeakPolarHBondContact O-CB 3.39Å; E136-L139 PolarHBondContact O-N 3.26Å; A137-L139 VanDerWaalsContact C-N 3.34Å; A137-L139 PolarHBondContact O-N 3.03Å; L139-L142 PolarHBondContact O-N 3.18Å; L139-Y143 HydrophobicContact CD1-CD2 4.03Å; L139-Y143 HydrophobicContact CD1-CE2 4.19Å; L139-Y143 PolarHBondContact O-N 2.84Å; L139-A152 HydrophobicContact CD1-CB 3.91Å; L139-A152 HydrophobicContact CD2-CB 4.07Å; L139-A152 HydrophobicContact CG-CB 3.89Å; L139-F153 HydrophobicContact CD2-CD1 4.22Å; L139-F153 HydrophobicContact CD2-CE1 4.26Å; L139-F153 HydrophobicContact CD2-CG 4.41Å; L139-F153 HydrophobicContact CD2-CZ 4.49Å; L139-F156 HydrophobicContact CD2-CB 3.84Å; L139-F156 HydrophobicContact CD2-CD2 4.04Å; L139-F156 HydrophobicContact CD2-CG 4.29Å |
| 140 | S | 90.9 | Very high | 88.6 | Confident | 10 Ų | 10 | 38.3 Ų | 38.3 | 7% | 0.07 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.6 | -34.6 | 175.6 | 77.3 | 0 | 0 | 0 | 0 | 113.5 | E136 A137 L142 Y143 F490 | E136-S140 PolarHBondContact O-N 2.75Å; A137-S140 PolarHBondContact O-N 3.44Å; A137-S140 PolarHBondContact O-OG 3.2Å; S140-L142 VanDerWaalsContact C-N 3.28Å; S140-L142 PolarHBondContact O-N 3.41Å; S140-Y143 CarbonylContact O-C 3.6Å; S140-F490 WeakPolarHBondContact OG-CE2 3.26Å |
| 141 | D | 89.4 | Confident | 88.4 | Confident | 49 Ų | 49 | 41.5 Ų | 41.5 | 26% | 0.262 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -68.1 | -32.2 | 178.5 | -79.5 | -23.3 | 0 | 0 | 0 | 110.6 | R76 R77 A137 L138 | R76-D141 IonicContact CZ-OD2 3.71Å; R76-D141 IonicContact NE-OD2 3.7Å; R76-D141 IonicContact NH2-OD1 2.85Å; R76-D141 PolarHBondContact NH2-OD1 3.2Å; R76-D141 IonicContact NH2-OD2 2.86Å; R76-D141 PolarHBondContact NH2-OD2 2.79Å; R77-D141 IonicContact CZ-OD2 3.66Å; R77-D141 IonicContact NE-OD2 2.94Å; R77-D141 PolarHBondContact NE-OD2 2.71Å; R77-D141 IonicContact NH2-OD1 4Å; R77-D141 IonicContact NH2-OD2 3.47Å; R77-D141 PolarHBondContact NH2-OD2 2.89Å; A137-D141 WeakPolarHBondContact O-CB 3.48Å; A137-D141 PolarHBondContact O-N 2.93Å; L138-D141 PolarHBondContact O-N 3.39Å |
| 142 | L | 87.5 | Confident | 88.2 | Confident | 51 Ų | 51 | 41.5 Ų | 41.5 | 27% | 0.267 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -82.2 | -32.4 | 178.7 | -69.4 | 171.7 | 0 | 0 | 0 | 113.6 | L13 L138 L139 S140 P213 | L13-L142 HydrophobicContact CD1-CD1 3.69Å; L13-L142 HydrophobicContact CD2-CD1 3.61Å; L13-L142 HydrophobicContact CG-CD1 4.31Å; L138-L142 HydrophobicContact CD1-CD1 4.15Å; L138-L142 HydrophobicContact CD1-CG 4.34Å; L138-L142 HydrophobicContact CG-CD1 4.1Å; L138-L142 WeakPolarHBondContact O-CG 3.3Å; L138-L142 PolarHBondContact O-N 2.94Å; L138-L142 VanDerWaalsContact O-N 3.09Å; L139-L142 PolarHBondContact O-N 3.18Å; S140-L142 VanDerWaalsContact C-N 3.28Å; S140-L142 PolarHBondContact O-N 3.41Å; L142-P213 HydrophobicContact CD2-CG 3.95Å |
| 143 | Y | 86.6 | Confident | 88.2 | Confident | 40 Ų | 40 | 40.1 Ų | 40.1 | 16% | 0.157 | 19% | 0.187 | C | C | . | . | trans | -119.6 | 91.9 | -177.2 | -67.4 | -86.1 | 0 | 0 | 0 | 111 | L10 L13 L139 S140 D148 A152 | L10-Y143 HydrophobicContact CD2-CD2 4.13Å; L10-Y143 HydrophobicContact CD2-CE1 3.84Å; L10-Y143 HydrophobicContact CD2-CE2 3.41Å; L10-Y143 VanDerWaalsContact CD2-CE2 3.41Å; L10-Y143 VanDerWaalsContact CD2-OH 3.28Å; L10-Y143 WeakPolarHBondContact CD2-OH 3.34Å; L10-Y143 HydrophobicContact CG-CE1 4.32Å; L10-Y143 HydrophobicContact CG-CE2 4.46Å; L10-Y143 WeakPolarHBondContact CG-OH 3.46Å; L13-Y143 HydrophobicContact CD2-CE2 3.75Å; L139-Y143 HydrophobicContact CD1-CD2 4.03Å; L139-Y143 HydrophobicContact CD1-CE2 4.19Å; L139-Y143 PolarHBondContact O-N 2.84Å; S140-Y143 CarbonylContact O-C 3.6Å; Y143-D148 HydrophobicContact CD1-CB 4Å; Y143-A152 HydrophobicContact CD2-CB 4.02Å; Y143-A152 HydrophobicContact CG-CB 4.07Å | ||
| 144 | R | 75.7 | Confident | 88.1 | Confident | 207 Ų | 207 | 40.3 Ų | 40.3 | 78% | 0.781 | 19% | 0.189 | S | C | * | . | trans | -88.2 | -22.6 | -176.4 | -65.4 | 176.9 | 68.6 | 114.5 | -1.4 | 114.2 | ||||
| 145 | D | 82.6 | Confident | 88.1 | Confident | 106 Ų | 106 | 41.2 Ų | 41.2 | 57% | 0.567 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -75.5 | 138.6 | 178.6 | -67 | -36.9 | 0 | 0 | 0 | 110.3 | E147 D148 C149 | D145-E147 PolarHBondContact O-N 3.23Å; D145-D148 HydrophobicContact CB-CB 4.37Å; D145-D148 PolarHBondContact O-N 2.99Å; D145-C149 WeakPolarHBondContact O-CB 3.4Å; D145-C149 PolarHBondContact O-N 3.09Å |
| 146 | E | 73 | Confident | 88.1 | Confident | 79 Ų | 79 | 41 Ų | 41 | 37% | 0.369 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.3 | -44.7 | -173.2 | -81.2 | 167.5 | -141 | 0 | 0 | 113.1 | D148 C149 G150 H416 K419 | E146-D148 VanDerWaalsContact C-N 3.33Å; E146-D148 PolarHBondContact O-N 3.18Å; E146-C149 PolarHBondContact O-N 3.13Å; E146-G150 PolarHBondContact O-N 2.99Å; E146-H416 VanDerWaalsContact CD-CD2 3.47Å; E146-H416 IonicContact OE1-CD2 3.62Å; E146-H416 IonicContact OE1-NE2 3.42Å; E146-H416 IonicContact OE2-CD2 3.73Å; E146-K419 HydrophobicContact CG-CD 4.02Å; E146-K419 WeakPolarHBondContact OE1-CD 3.47Å; E146-K419 IonicContact OE1-NZ 2.71Å; E146-K419 PolarHBondContact OE1-NZ 3.49Å |
| 147 | E | 77.3 | Confident | 88.1 | Confident | 126 Ų | 126 | 40.7 Ų | 40.7 | 59% | 0.589 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -64.1 | -41 | 179.3 | -68.8 | -162.8 | -176.8 | 0 | 0 | 112 | D145 R151 | D145-E147 PolarHBondContact O-N 3.23Å; E147-R151 WeakPolarHBondContact O-CG 3.41Å; E147-R151 PolarHBondContact O-N 3.03Å; E147-R151 VanDerWaalsContact O-N 3.14Å; E147-R151 IonicContact OE2-NH2 3.17Å; E147-R151 PolarHBondContact OE2-NH2 2.97Å |
| 148 | D | 84.6 | Confident | 88.2 | Confident | 60 Ų | 60 | 42.4 Ų | 42.4 | 32% | 0.321 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -78.7 | -31.5 | -178.1 | -72 | -24.5 | 0 | 0 | 0 | 111.7 | Y143 D145 E146 R151 A152 | Y143-D148 HydrophobicContact CD1-CB 4Å; D145-D148 HydrophobicContact CB-CB 4.37Å; D145-D148 PolarHBondContact O-N 2.99Å; E146-D148 VanDerWaalsContact C-N 3.33Å; E146-D148 PolarHBondContact O-N 3.18Å; D148-R151 PolarHBondContact O-N 2.91Å; D148-R151 IonicContact OD1-CZ 2.91Å; D148-R151 IonicContact OD1-NH1 2.6Å; D148-R151 PolarHBondContact OD1-NH1 2.6Å; D148-A152 VanDerWaalsContact O-CB 3.26Å; D148-A152 WeakPolarHBondContact O-CB 3.48Å; D148-A152 PolarHBondContact O-N 2.67Å |
| 149 | C | 86.3 | Confident | 88.3 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.2 | -46.4 | 170.4 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | D145 E146 R151 A152 F153 C415 | D145-C149 WeakPolarHBondContact O-CB 3.4Å; D145-C149 PolarHBondContact O-N 3.09Å; E146-C149 PolarHBondContact O-N 3.13Å; C149-R151 VanDerWaalsContact C-N 3.3Å; C149-R151 PolarHBondContact O-N 3.08Å; C149-A152 WeakPolarHBondContact O-CB 3.17Å; C149-A152 PolarHBondContact O-N 3.35Å; C149-A152 VanDerWaalsContact O-N 3.12Å; C149-F153 WeakPolarHBondContact O-CD2 3.44Å; C149-F153 PolarHBondContact O-N 3.44Å; C149-C415 WeakPolarHBondContact SG-CB 3.35Å; C149-C415 PolarHBondContact SG-SG 3.34Å |
| 150 | G | 87.1 | Confident | 88.4 | Confident | 8 Ų | 8 | 42.6 Ų | 42.6 | 8% | 0.082 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.1 | -37.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E146 A154 | E146-G150 PolarHBondContact O-N 2.99Å; G150-A154 VanDerWaalsContact O-CB 3.3Å; G150-A154 WeakPolarHBondContact O-CB 3.37Å; G150-A154 PolarHBondContact O-N 3.33Å; G150-A154 VanDerWaalsContact O-N 3.11Å |
| 151 | R | 89.4 | Confident | 88.5 | Confident | 67 Ų | 67 | 42.3 Ų | 42.3 | 25% | 0.253 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.7 | -37.5 | 172 | -72.3 | 173 | -171.2 | 151.7 | 8.1 | 112.4 | E147 D148 C149 A154 M155 | E147-R151 WeakPolarHBondContact O-CG 3.41Å; E147-R151 PolarHBondContact O-N 3.03Å; E147-R151 VanDerWaalsContact O-N 3.14Å; E147-R151 IonicContact OE2-NH2 3.17Å; E147-R151 PolarHBondContact OE2-NH2 2.97Å; D148-R151 PolarHBondContact O-N 2.91Å; D148-R151 IonicContact OD1-CZ 2.91Å; D148-R151 IonicContact OD1-NH1 2.6Å; D148-R151 PolarHBondContact OD1-NH1 2.6Å; C149-R151 VanDerWaalsContact C-N 3.3Å; C149-R151 PolarHBondContact O-N 3.08Å; R151-A154 PolarHBondContact O-N 3.11Å; R151-M155 PolarHBondContact O-N 3.15Å |
| 152 | A | 91.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.9 | -50 | -180 | 0 | 0 | 0 | 0 | 0 | 111.3 | L10 L139 Y143 D148 C149 A154 M155 F156 | L10-A152 HydrophobicContact CD2-CB 3.83Å; L139-A152 HydrophobicContact CD1-CB 3.91Å; L139-A152 HydrophobicContact CD2-CB 4.07Å; L139-A152 HydrophobicContact CG-CB 3.89Å; Y143-A152 HydrophobicContact CD2-CB 4.02Å; Y143-A152 HydrophobicContact CG-CB 4.07Å; D148-A152 VanDerWaalsContact O-CB 3.26Å; D148-A152 WeakPolarHBondContact O-CB 3.48Å; D148-A152 PolarHBondContact O-N 2.67Å; C149-A152 WeakPolarHBondContact O-CB 3.17Å; C149-A152 PolarHBondContact O-N 3.35Å; C149-A152 VanDerWaalsContact O-N 3.12Å; A152-A154 VanDerWaalsContact C-N 3.33Å; A152-A154 PolarHBondContact O-N 3.29Å; A152-M155 WeakPolarHBondContact O-CB 3.48Å; A152-M155 PolarHBondContact O-N 3.05Å; A152-M155 VanDerWaalsContact O-N 3.16Å; A152-F156 PolarHBondContact O-N 3.27Å |
| 153 | F | 93.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68 | -30.8 | 176.4 | -80.2 | -75.2 | 0 | 0 | 0 | 113.1 | E136 L139 C149 M155 F156 S157 T408 Y411 F490 | E136-F153 HydrophobicContact CB-CE1 4.02Å; E136-F153 HydrophobicContact CB-CZ 4.41Å; E136-F153 HydrophobicContact CG-CE1 4.1Å; L139-F153 HydrophobicContact CD2-CD1 4.22Å; L139-F153 HydrophobicContact CD2-CE1 4.26Å; L139-F153 HydrophobicContact CD2-CG 4.41Å; L139-F153 HydrophobicContact CD2-CZ 4.49Å; C149-F153 WeakPolarHBondContact O-CD2 3.44Å; C149-F153 PolarHBondContact O-N 3.44Å; F153-M155 VanDerWaalsContact C-N 3.34Å; F153-F156 WeakPolarHBondContact O-CB 3.38Å; F153-F156 PolarHBondContact O-N 2.81Å; F153-S157 WeakPolarHBondContact O-CB 3.48Å; F153-S157 PolarHBondContact O-N 3.31Å; F153-T408 HydrophobicContact CB-CG2 4.05Å; F153-Y411 HydrophobicContact CD1-CG 4.17Å; F153-Y411 VanDerWaalsContact CE1-CB 3.44Å; F153-Y411 HydrophobicContact CE1-CD1 4.28Å; F153-Y411 AromaticContact CE1-CG 4Å; F153-Y411 HydrophobicContact CE1-CG 4Å; F153-F490 HydrophobicContact CE2-CZ 4.2Å; F153-F490 HydrophobicContact CZ-CE1 4.17Å; F153-F490 HydrophobicContact CZ-CE2 4.17Å; F153-F490 AromaticContact CZ-CZ 3.61Å; F153-F490 HydrophobicContact CZ-CZ 3.61Å |
| 154 | A | 92.9 | Very high | 89 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112 | G150 R151 A152 F158 M356 T408 | G150-A154 VanDerWaalsContact O-CB 3.3Å; G150-A154 WeakPolarHBondContact O-CB 3.37Å; G150-A154 PolarHBondContact O-N 3.33Å; G150-A154 VanDerWaalsContact O-N 3.11Å; R151-A154 PolarHBondContact O-N 3.11Å; A152-A154 VanDerWaalsContact C-N 3.33Å; A152-A154 PolarHBondContact O-N 3.29Å; A154-F158 WeakPolarHBondContact O-CB 3.43Å; A154-F158 PolarHBondContact O-N 3.42Å; A154-M356 HydrophobicContact CB-CB 4.01Å; A154-M356 HydrophobicContact CB-CG 4.44Å; A154-T408 HydrophobicContact CB-CG2 4.17Å |
| 155 | M | 93.9 | Very high | 89.6 | Confident | 20 Ų | 20 | 28.9 Ų | 28.9 | 10% | 0.099 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.2 | -36.7 | 174.3 | -174 | 63.7 | 73.9 | 0 | 0 | 112.1 | L10 R151 A152 F153 F158 M159 | L10-M155 HydrophobicContact CB-CG 4.16Å; R151-M155 PolarHBondContact O-N 3.15Å; A152-M155 WeakPolarHBondContact O-CB 3.48Å; A152-M155 PolarHBondContact O-N 3.05Å; A152-M155 VanDerWaalsContact O-N 3.16Å; F153-M155 VanDerWaalsContact C-N 3.34Å; M155-F158 WeakPolarHBondContact O-CB 3.37Å; M155-F158 PolarHBondContact O-N 3.13Å; M155-F158 HydrophobicContact SD-CD1 3.64Å; M155-F158 HydrophobicContact SD-CE1 4.28Å; M155-F158 HydrophobicContact SD-CG 4.45Å; M155-M159 WeakPolarHBondContact O-CB 3.17Å; M155-M159 WeakPolarHBondContact O-CG 3.43Å; M155-M159 PolarHBondContact O-N 3.27Å |
| 156 | F | 94.8 | Very high | 89.9 | Confident | 5 Ų | 5 | 26.6 Ų | 26.6 | 2% | 0.022 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.3 | -51.9 | 173 | -178.7 | -84.5 | 0 | 0 | 0 | 110.6 | N14 T17 F132 L135 E136 L139 A152 F153 F158 M159 V160 | N14-F156 WeakPolarHBondContact OD1-CD2 3.11Å; T17-F156 HydrophobicContact CG2-CD1 4.41Å; T17-F156 HydrophobicContact CG2-CD2 3.76Å; T17-F156 HydrophobicContact CG2-CE1 4.16Å; T17-F156 HydrophobicContact CG2-CE2 3.46Å; T17-F156 VanDerWaalsContact CG2-CE2 3.46Å; T17-F156 HydrophobicContact CG2-CG 4.24Å; T17-F156 HydrophobicContact CG2-CZ 3.7Å; T17-F156 WeakPolarHBondContact OG1-CE2 3.36Å; F132-F156 AromaticContact CD1-CZ 3.8Å; F132-F156 HydrophobicContact CD1-CZ 3.8Å; F132-F156 HydrophobicContact CE1-CZ 4.5Å; L135-F156 HydrophobicContact CB-CE2 4.32Å; E136-F156 HydrophobicContact CG-CE1 4.02Å; E136-F156 HydrophobicContact CG-CE2 3.73Å; E136-F156 HydrophobicContact CG-CZ 3.41Å; E136-F156 VanDerWaalsContact CG-CZ 3.41Å; L139-F156 HydrophobicContact CD2-CB 3.84Å; L139-F156 HydrophobicContact CD2-CD2 4.04Å; L139-F156 HydrophobicContact CD2-CG 4.29Å; A152-F156 PolarHBondContact O-N 3.27Å; F153-F156 WeakPolarHBondContact O-CB 3.38Å; F153-F156 PolarHBondContact O-N 2.81Å; F156-F158 VanDerWaalsContact C-N 3.3Å; F156-F158 PolarHBondContact O-N 3.02Å; F156-M159 PolarHBondContact O-N 3.47Å; F156-V160 HydrophobicContact CD1-CG2 4.06Å; F156-V160 HydrophobicContact CE1-CG2 3.86Å; F156-V160 HydrophobicContact CZ-CG2 4.48Å; F156-V160 WeakPolarHBondContact O-CG2 3.35Å; F156-V160 PolarHBondContact O-N 3.12Å |
| 157 | S | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.7 | -38 | 176.8 | 177.5 | 0 | 0 | 0 | 0 | 112.9 | F153 S161 S353 Q407 T408 | F153-S157 WeakPolarHBondContact O-CB 3.48Å; F153-S157 PolarHBondContact O-N 3.31Å; S157-S161 WeakPolarHBondContact O-CB 3.45Å; S157-S161 PolarHBondContact O-N 3.01Å; S157-S161 PolarHBondContact O-OG 3.33Å; S157-S353 PolarHBondContact OG-OG 2.91Å; S157-Q407 PolarHBondContact OG-OE1 2.81Å; S157-T408 WeakPolarHBondContact CB-OG1 3.33Å |
| 158 | F | 95.1 | Very high | 90.8 | Very high | 36 Ų | 36 | 21.4 Ų | 21.4 | 16% | 0.158 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 172.6 | 168.4 | -100.7 | 0 | 0 | 0 | 111.5 | A154 M155 F156 S161 V162 T350 L354 | A154-F158 WeakPolarHBondContact O-CB 3.43Å; A154-F158 PolarHBondContact O-N 3.42Å; M155-F158 WeakPolarHBondContact O-CB 3.37Å; M155-F158 PolarHBondContact O-N 3.13Å; M155-F158 HydrophobicContact SD-CD1 3.64Å; M155-F158 HydrophobicContact SD-CE1 4.28Å; M155-F158 HydrophobicContact SD-CG 4.45Å; F156-F158 VanDerWaalsContact C-N 3.3Å; F156-F158 PolarHBondContact O-N 3.02Å; F158-S161 PolarHBondContact O-N 2.83Å; F158-V162 HydrophobicContact CD1-CG2 4.48Å; F158-V162 HydrophobicContact CD2-CG2 4.2Å; F158-V162 HydrophobicContact CE1-CG2 4.08Å; F158-V162 HydrophobicContact CE2-CG2 3.76Å; F158-V162 HydrophobicContact CZ-CG2 3.7Å; F158-V162 WeakPolarHBondContact O-CG2 3.46Å; F158-V162 PolarHBondContact O-N 2.95Å; F158-T350 HydrophobicContact CD2-CG2 3.54Å; F158-T350 HydrophobicContact CE2-CG2 3.39Å; F158-L354 HydrophobicContact CD1-CD2 4.48Å; F158-L354 HydrophobicContact CD2-CD1 4.15Å; F158-L354 HydrophobicContact CD2-CD2 3.59Å; F158-L354 HydrophobicContact CD2-CG 3.56Å; F158-L354 HydrophobicContact CE2-CD1 3.81Å; F158-L354 HydrophobicContact CE2-CD2 3.71Å; F158-L354 HydrophobicContact CE2-CG 3.74Å; F158-L354 HydrophobicContact CG-CD2 3.99Å; F158-L354 HydrophobicContact CG-CG 4.37Å; F158-L354 HydrophobicContact CZ-CD2 4.23Å |
| 159 | M | 94.9 | Very high | 90.6 | Very high | 14 Ų | 14 | 23.3 Ų | 23.3 | 7% | 0.069 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.2 | -38.7 | 179.8 | -82.5 | -64.2 | 174.4 | 0 | 0 | 113.5 | L11 N14 C18 M155 F156 G163 | L11-M159 HydrophobicContact CB-CE 4.26Å; L11-M159 HydrophobicContact CD1-CE 4.21Å; L11-M159 HydrophobicContact CD2-CE 3.27Å; L11-M159 HydrophobicContact CG-CE 3.25Å; N14-M159 HydrophobicContact CB-CB 4.03Å; N14-M159 HydrophobicContact CB-CG 3.67Å; C18-M159 HydrophobicContact CB-CB 4.09Å; C18-M159 HydrophobicContact CB-CG 4.4Å; C18-M159 HydrophobicContact CB-SD 3.63Å; M155-M159 WeakPolarHBondContact O-CB 3.17Å; M155-M159 WeakPolarHBondContact O-CG 3.43Å; M155-M159 PolarHBondContact O-N 3.27Å; F156-M159 PolarHBondContact O-N 3.47Å; M159-G163 PolarHBondContact O-N 2.82Å |
| 160 | V | 94.2 | Very high | 90.4 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 4% | 0.042 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.9 | -50.9 | 170.6 | 174.8 | 0 | 0 | 0 | 0 | 109.4 | T17 E21 F132 F156 V162 G163 G164 | T17-V160 HydrophobicContact CG2-CG2 3.47Å; T17-V160 VanDerWaalsContact CG2-CG2 3.47Å; E21-V160 HydrophobicContact CG-CG1 4.07Å; E21-V160 WeakPolarHBondContact CG-O 3.19Å; F132-V160 HydrophobicContact CE1-CG2 4.14Å; F156-V160 HydrophobicContact CD1-CG2 4.06Å; F156-V160 HydrophobicContact CE1-CG2 3.86Å; F156-V160 HydrophobicContact CZ-CG2 4.48Å; F156-V160 WeakPolarHBondContact O-CG2 3.35Å; F156-V160 PolarHBondContact O-N 3.12Å; V160-V162 PolarHBondContact O-N 3.35Å; V160-G163 PolarHBondContact O-N 3.49Å; V160-G163 VanDerWaalsContact O-N 3.14Å; V160-G164 PolarHBondContact O-N 3.48Å |
| 161 | S | 92.9 | Very high | 89.6 | Confident | 4 Ų | 4 | 24.3 Ų | 24.3 | 3% | 0.028 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.2 | -40.9 | -177.9 | -56.2 | 0 | 0 | 0 | 0 | 113.1 | S157 F158 G164 C165 S349 T350 | S157-S161 WeakPolarHBondContact O-CB 3.45Å; S157-S161 PolarHBondContact O-N 3.01Å; S157-S161 PolarHBondContact O-OG 3.33Å; F158-S161 PolarHBondContact O-N 2.83Å; S161-G164 PolarHBondContact O-N 3.21Å; S161-C165 PolarHBondContact O-N 3.4Å; S161-C165 PolarHBondContact O-SG 2.99Å; S161-C165 VanDerWaalsContact O-SG 3.34Å; S161-S349 PolarHBondContact OG-OG 2.72Å; S161-T350 VanDerWaalsContact CB-OG1 3.22Å; S161-T350 WeakPolarHBondContact CB-OG1 3.39Å |
| 162 | V | 93.6 | Very high | 88.8 | Confident | 42 Ų | 42 | 24.8 Ų | 24.8 | 26% | 0.255 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -64.6 | -43.6 | 174.6 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | F158 V160 G164 C165 V166 T350 | F158-V162 HydrophobicContact CD1-CG2 4.48Å; F158-V162 HydrophobicContact CD2-CG2 4.2Å; F158-V162 HydrophobicContact CE1-CG2 4.08Å; F158-V162 HydrophobicContact CE2-CG2 3.76Å; F158-V162 HydrophobicContact CZ-CG2 3.7Å; F158-V162 WeakPolarHBondContact O-CG2 3.46Å; F158-V162 PolarHBondContact O-N 2.95Å; V160-V162 PolarHBondContact O-N 3.35Å; V162-G164 VanDerWaalsContact C-N 3.34Å; V162-G164 PolarHBondContact O-N 3.11Å; V162-C165 PolarHBondContact O-N 3.18Å; V162-V166 WeakPolarHBondContact O-CG2 3.48Å; V162-V166 PolarHBondContact O-N 3.25Å; V162-T350 HydrophobicContact CG2-CG2 3.93Å |
| 163 | G | 92.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.5 | -42.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | I22 M159 V160 V166 G167 | I22-G163 VanDerWaalsContact CG1-O 3.29Å; I22-G163 WeakPolarHBondContact CG1-O 3.46Å; M159-G163 PolarHBondContact O-N 2.82Å; V160-G163 PolarHBondContact O-N 3.49Å; V160-G163 VanDerWaalsContact O-N 3.14Å; G163-V166 PolarHBondContact O-N 3.34Å; G163-G167 PolarHBondContact O-N 2.81Å |
| 164 | G | 88.8 | Confident | 87.4 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V160 S161 V162 V166 G167 Y168 | V160-G164 PolarHBondContact O-N 3.48Å; S161-G164 PolarHBondContact O-N 3.21Å; V162-G164 VanDerWaalsContact C-N 3.34Å; V162-G164 PolarHBondContact O-N 3.11Å; G164-V166 VanDerWaalsContact C-N 3.34Å; G164-V166 PolarHBondContact O-N 3.21Å; G164-G167 PolarHBondContact O-N 3.28Å; G164-Y168 WeakPolarHBondContact O-CD2 3.47Å; G164-Y168 PolarHBondContact O-N 3.41Å |
| 165 | C | 87.1 | Confident | 86.7 | Confident | 20 Ų | 20 | 35.5 Ų | 35.5 | 14% | 0.135 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -54.9 | -47.7 | 175.8 | -74.5 | 0 | 0 | 0 | 0 | 112.4 | S161 V162 L169 C346 | S161-C165 PolarHBondContact O-N 3.4Å; S161-C165 PolarHBondContact O-SG 2.99Å; S161-C165 VanDerWaalsContact O-SG 3.34Å; V162-C165 PolarHBondContact O-N 3.18Å; C165-L169 WeakPolarHBondContact O-CB 3.46Å; C165-L169 PolarHBondContact O-N 2.92Å; C165-C346 WeakPolarHBondContact SG-CB 3.39Å |
| 166 | V | 89.8 | Confident | 85.5 | Confident | 59 Ų | 59 | 37.8 Ų | 37.8 | 36% | 0.358 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.8 | -42.4 | 179.7 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | I22 V162 G163 G164 Y168 L169 L170 | I22-V166 HydrophobicContact CD1-CB 4.24Å; I22-V166 HydrophobicContact CD1-CG1 3.97Å; I22-V166 HydrophobicContact CG1-CB 4.12Å; I22-V166 HydrophobicContact CG1-CG1 4.13Å; V162-V166 WeakPolarHBondContact O-CG2 3.48Å; V162-V166 PolarHBondContact O-N 3.25Å; G163-V166 PolarHBondContact O-N 3.34Å; G164-V166 VanDerWaalsContact C-N 3.34Å; G164-V166 PolarHBondContact O-N 3.21Å; V166-Y168 PolarHBondContact O-N 3.45Å; V166-L169 PolarHBondContact O-N 3.25Å; V166-L170 HydrophobicContact CG1-CD1 3.72Å; V166-L170 HydrophobicContact CG1-CG 4.26Å; V166-L170 WeakPolarHBondContact O-CB 3.3Å; V166-L170 WeakPolarHBondContact O-CD1 3.37Å; V166-L170 WeakPolarHBondContact O-CG 3.47Å; V166-L170 PolarHBondContact O-N 3.18Å |
| 167 | G | 87.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.7 | -37.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G163 G164 P171 | G163-G167 PolarHBondContact O-N 2.81Å; G164-G167 PolarHBondContact O-N 3.28Å; G167-P171 WeakPolarHBondContact O-CD 3.31Å |
| 168 | Y | 81.3 | Confident | 83.4 | Confident | 96 Ų | 96 | 49.2 Ų | 49.2 | 38% | 0.376 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -76.6 | -27.3 | 173.5 | -66.6 | -53.8 | 0 | 0 | 0 | 113.2 | A25 G164 V166 | A25-Y168 HydrophobicContact CB-CD1 4.25Å; A25-Y168 HydrophobicContact CB-CE1 4.05Å; A25-Y168 HydrophobicContact CB-CE2 4.39Å; A25-Y168 HydrophobicContact CB-CG 4.5Å; G164-Y168 WeakPolarHBondContact O-CD2 3.47Å; G164-Y168 PolarHBondContact O-N 3.41Å; V166-Y168 PolarHBondContact O-N 3.45Å |
| 169 | L | 81.4 | Confident | 82.2 | Confident | 100 Ų | 100 | 52.9 Ų | 52.9 | 52% | 0.524 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -79.9 | -35.5 | 178.3 | -171.9 | 68.2 | 0 | 0 | 0 | 112.7 | C165 V166 A172 V173 | C165-L169 WeakPolarHBondContact O-CB 3.46Å; C165-L169 PolarHBondContact O-N 2.92Å; V166-L169 PolarHBondContact O-N 3.25Å; L169-A172 WeakPolarHBondContact O-CB 3.19Å; L169-A172 PolarHBondContact O-N 3.12Å; L169-V173 PolarHBondContact O-N 2.86Å |
| 170 | L | 81.9 | Confident | 81 | Confident | 14 Ų | 14 | 57.3 Ų | 57.3 | 7% | 0.073 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -50.1 | -47 | 179.6 | -91.8 | 156.1 | 0 | 0 | 0 | 112.9 | I22 V166 W175 L191 L194 L195 | I22-L170 HydrophobicContact CG2-CD1 3.51Å; V166-L170 HydrophobicContact CG1-CD1 3.72Å; V166-L170 HydrophobicContact CG1-CG 4.26Å; V166-L170 WeakPolarHBondContact O-CB 3.3Å; V166-L170 WeakPolarHBondContact O-CD1 3.37Å; V166-L170 WeakPolarHBondContact O-CG 3.47Å; V166-L170 PolarHBondContact O-N 3.18Å; L170-W175 HydrophobicContact CD2-CH2 4.39Å; L170-W175 HydrophobicContact CD2-CZ2 3.78Å; L170-W175 PolarHBondContact O-NE1 2.9Å; L170-L191 HydrophobicContact CB-CD1 4.29Å; L170-L191 HydrophobicContact CD2-CD1 4.32Å; L170-L194 HydrophobicContact CD2-CD2 3.51Å; L170-L195 HydrophobicContact CD1-CD2 4.2Å |
| 171 | P | 69.6 | Low | 80 | Confident | 19 Ų | 19 | 57.3 Ų | 57.3 | 12% | 0.123 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.4 | -30.3 | 173.2 | -20.6 | 28.6 | 0 | 0 | 0 | 116.3 | T29 Y30 G167 V173 | T29-P171 HydrophobicContact CG2-CB 3.59Å; T29-P171 HydrophobicContact CG2-CG 3.71Å; Y30-P171 HydrophobicContact CD2-CB 3.69Å; Y30-P171 HydrophobicContact CD2-CG 3.58Å; Y30-P171 HydrophobicContact CE2-CB 3.22Å; Y30-P171 HydrophobicContact CE2-CG 3.44Å; Y30-P171 VanDerWaalsContact CE2-CG 3.44Å; G167-P171 WeakPolarHBondContact O-CD 3.31Å; P171-V173 PolarHBondContact O-N 2.99Å |
| 172 | A | 73.3 | Confident | 79 | Confident | 77 Ų | 77 | 62.9 Ų | 62.9 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -73.8 | -12.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | L169 | L169-A172 WeakPolarHBondContact O-CB 3.19Å; L169-A172 PolarHBondContact O-N 3.12Å |
| 173 | V | 79.1 | Confident | 78 | Confident | 64 Ų | 64 | 70.8 Ų | 70.8 | 39% | 0.388 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -88 | 128.4 | 178.2 | 179 | 0 | 0 | 0 | 0 | 110.2 | L169 P171 W175 | L169-V173 PolarHBondContact O-N 2.86Å; P171-V173 PolarHBondContact O-N 2.99Å; V173-W175 HydrophobicContact CB-CZ2 4.01Å; V173-W175 HydrophobicContact CG1-CD2 4.42Å; V173-W175 HydrophobicContact CG1-CZ2 4.04Å; V173-W175 PolarHBondContact O-N 3.46Å; V173-W175 PolarHBondContact O-NE1 3.47Å |
| 174 | D | 76.8 | Confident | 77.1 | Confident | 114 Ų | 114 | 72.9 Ų | 72.9 | 61% | 0.61 | 38% | 0.384 | S | S | * | . | trans | -71.7 | 93.2 | 174 | -73.8 | -29.4 | 0 | 0 | 0 | 111.3 | S176 | D174-S176 PolarHBondContact O-N 3.15Š| ||
| 175 | W | 77.6 | Confident | 76.1 | Confident | 52 Ų | 52 | 75.9 Ų | 75.9 | 20% | 0.197 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -72.5 | -14.3 | 177.6 | -59.7 | 94.9 | 0 | 0 | 0 | 113.8 | L170 V173 R177 S178 A181 Q187 L194 | L170-W175 HydrophobicContact CD2-CH2 4.39Å; L170-W175 HydrophobicContact CD2-CZ2 3.78Å; L170-W175 PolarHBondContact O-NE1 2.9Å; V173-W175 HydrophobicContact CB-CZ2 4.01Å; V173-W175 HydrophobicContact CG1-CD2 4.42Å; V173-W175 HydrophobicContact CG1-CZ2 4.04Å; V173-W175 PolarHBondContact O-N 3.46Å; V173-W175 PolarHBondContact O-NE1 3.47Å; W175-R177 PolarHBondContact O-N 3.42Å; W175-R177 VanDerWaalsContact O-N 3.15Å; W175-S178 WeakPolarHBondContact O-CB 3.28Å; W175-S178 PolarHBondContact O-N 3.32Å; W175-S178 PolarHBondContact O-OG 3.47Å; W175-A181 WeakPolarHBondContact O-CB 3.35Å; W175-Q187 HydrophobicContact CB-CG 4.23Å; W175-L194 HydrophobicContact CH2-CD1 4.46Å; W175-L194 HydrophobicContact CZ3-CD1 4.5Å |
| 176 | S | 68.6 | Low | 75.7 | Confident | 67 Ų | 67 | 76.1 Ų | 76.1 | 47% | 0.469 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -56.2 | -29.3 | -178.4 | 58.7 | 0 | 0 | 0 | 0 | 114 | D174 | D174-S176 PolarHBondContact O-N 3.15Š|
| 177 | R | 69.2 | Low | 75.2 | Confident | 220 Ų | 220 | 76.6 Ų | 76.6 | 83% | 0.83 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -88.9 | -7.2 | 178.4 | -60.9 | -174.9 | -175.9 | -175.1 | 2.6 | 113.7 | W175 | W175-R177 PolarHBondContact O-N 3.42Å; W175-R177 VanDerWaalsContact O-N 3.15Å |
| 178 | S | 76.2 | Confident | 74.9 | Confident | 26 Ų | 26 | 78 Ų | 78 | 18% | 0.182 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -75.4 | 141.6 | 179.4 | 83.9 | 0 | 0 | 0 | 0 | 110.3 | W175 L180 A181 | W175-S178 WeakPolarHBondContact O-CB 3.28Å; W175-S178 PolarHBondContact O-N 3.32Å; W175-S178 PolarHBondContact O-OG 3.47Å; S178-L180 PolarHBondContact O-N 3.34Å; S178-A181 PolarHBondContact O-N 3.26Å; S178-A181 VanDerWaalsContact O-N 3.11Å; S178-A181 PolarHBondContact OG-N 3.13Å |
| 179 | P | 70.5 | Confident | 75 | Confident | 113 Ų | 113 | 76.8 Ų | 76.8 | 73% | 0.734 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.7 | -24.1 | 177.5 | 25.5 | -34 | 0 | 0 | 0 | 112.3 | Y183 | P179-Y183 PolarHBondContact O-N 2.91Å |
| 180 | L | 69 | Low | 75.2 | Confident | 106 Ų | 106 | 72.3 Ų | 72.3 | 56% | 0.555 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -66.2 | -39.8 | 174.3 | -96.1 | 129 | 0 | 0 | 0 | 112.4 | S178 V182 Y183 L184 | S178-L180 PolarHBondContact O-N 3.34Å; L180-V182 VanDerWaalsContact C-N 3.3Å; L180-V182 PolarHBondContact O-N 3.45Å; L180-Y183 PolarHBondContact O-N 3.21Å; L180-L184 HydrophobicContact CB-CD1 4.4Å; L180-L184 HydrophobicContact CD2-CD1 3.63Å; L180-L184 WeakPolarHBondContact O-CB 3.4Å; L180-L184 PolarHBondContact O-N 2.93Å |
| 181 | A | 74.1 | Confident | 75.5 | Confident | 8 Ų | 8 | 71.7 Ų | 71.7 | 7% | 0.066 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.2 | -33.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | W175 S178 G185 G186 C190 | W175-A181 WeakPolarHBondContact O-CB 3.35Å; S178-A181 PolarHBondContact O-N 3.26Å; S178-A181 VanDerWaalsContact O-N 3.11Å; S178-A181 PolarHBondContact OG-N 3.13Å; A181-G185 PolarHBondContact O-N 3.32Å; A181-G186 PolarHBondContact O-N 2.86Å; A181-C190 HydrophobicContact CB-CB 4.14Å |
| 182 | V | 71.7 | Confident | 76.5 | Confident | 120 Ų | 120 | 71 Ų | 71 | 73% | 0.727 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -69.7 | -36.8 | 175.1 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | L180 | L180-V182 VanDerWaalsContact C-N 3.3Å; L180-V182 PolarHBondContact O-N 3.45Å |
| 183 | Y | 72.7 | Confident | 77.3 | Confident | 208 Ų | 208 | 69.1 Ų | 69.1 | 82% | 0.816 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -74.4 | -35.1 | 178 | -176.4 | -98.7 | 0 | 0 | 0 | 113 | P179 L180 | P179-Y183 PolarHBondContact O-N 2.91Å; L180-Y183 PolarHBondContact O-N 3.21Å |
| 184 | L | 73.9 | Confident | 77.8 | Confident | 45 Ų | 45 | 68.7 Ų | 68.7 | 24% | 0.236 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 13.5 | -176.6 | -76.1 | 152.1 | 0 | 0 | 0 | 113.6 | L180 G186 E189 C190 | L180-L184 HydrophobicContact CB-CD1 4.4Å; L180-L184 HydrophobicContact CD2-CD1 3.63Å; L180-L184 WeakPolarHBondContact O-CB 3.4Å; L180-L184 PolarHBondContact O-N 2.93Å; L184-G186 VanDerWaalsContact C-N 3.27Å; L184-G186 PolarHBondContact O-N 3.46Å; L184-G186 VanDerWaalsContact O-N 3.14Å; L184-E189 VanDerWaalsContact O-CB 3.23Å; L184-E189 WeakPolarHBondContact O-CB 3.11Å; L184-C190 HydrophobicContact CD1-CB 4.47Å |
| 185 | G | 66.7 | Low | 78.6 | Confident | 65 Ų | 65 | 63.3 Ų | 63.3 | 67% | 0.67 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 0.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117 | A181 | A181-G185 PolarHBondContact O-N 3.32Š|
| 186 | G | 79.1 | Confident | 79.5 | Confident | 25 Ų | 25 | 62.9 Ų | 62.9 | 26% | 0.258 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 168.4 | 170.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | A181 L184 C190 | A181-G186 PolarHBondContact O-N 2.86Å; L184-G186 VanDerWaalsContact C-N 3.27Å; L184-G186 PolarHBondContact O-N 3.46Å; L184-G186 VanDerWaalsContact O-N 3.14Å; G186-C190 WeakPolarHBondContact O-CB 3.29Å; G186-C190 PolarHBondContact O-N 3.33Å |
| 187 | Q | 80.1 | Confident | 80.7 | Confident | 69 Ų | 69 | 65.4 Ų | 65.4 | 32% | 0.322 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.8 | -45.9 | 176.8 | 168.5 | 166.9 | -20.8 | 0 | 0 | 112 | Y30 W175 C190 L191 | Y30-Q187 PolarHBondContact OH-NE2 3.05Å; W175-Q187 HydrophobicContact CB-CG 4.23Å; Q187-C190 PolarHBondContact O-N 2.87Å; Q187-L191 PolarHBondContact O-N 3.46Å; Q187-L191 VanDerWaalsContact O-N 3.09Å |
| 188 | A | 79.3 | Confident | 82 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 25% | 0.248 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.7 | -50 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | C190 L191 F192 | A188-C190 VanDerWaalsContact C-N 3.31Å; A188-C190 PolarHBondContact O-N 2.98Å; A188-L191 PolarHBondContact O-N 3.12Å; A188-F192 VanDerWaalsContact O-CD2 3.27Å; A188-F192 WeakPolarHBondContact O-CD2 3.4Å; A188-F192 PolarHBondContact O-N 3.11Å |
| 189 | E | 84.1 | Confident | 83 | Confident | 71 Ų | 71 | 56 Ų | 56 | 33% | 0.332 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59 | -40.5 | 179.4 | -67.2 | -168.7 | -153.7 | 0 | 0 | 112.7 | P96 L184 S193 | P96-E189 HydrophobicContact CB-CG 4.39Å; L184-E189 VanDerWaalsContact O-CB 3.23Å; L184-E189 WeakPolarHBondContact O-CB 3.11Å; E189-S193 WeakPolarHBondContact O-CB 3.41Å; E189-S193 PolarHBondContact O-N 3.4Å; E189-S193 PolarHBondContact O-OG 2.91Å |
| 190 | C | 86.2 | Confident | 84.2 | Confident | 6 Ų | 6 | 53 Ų | 53 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 175.5 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | A181 L184 G186 Q187 A188 S193 L194 | A181-C190 HydrophobicContact CB-CB 4.14Å; L184-C190 HydrophobicContact CD1-CB 4.47Å; G186-C190 WeakPolarHBondContact O-CB 3.29Å; G186-C190 PolarHBondContact O-N 3.33Å; Q187-C190 PolarHBondContact O-N 2.87Å; A188-C190 VanDerWaalsContact C-N 3.31Å; A188-C190 PolarHBondContact O-N 2.98Å; C190-S193 PolarHBondContact O-N 3.14Å; C190-L194 PolarHBondContact O-N 3.37Å |
| 191 | L | 88.3 | Confident | 85.5 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.2 | -50.7 | -180 | -176.9 | 102.5 | 0 | 0 | 0 | 111.4 | Y30 L170 Q187 A188 S193 L194 L195 | Y30-L191 HydrophobicContact CD1-CD2 4.45Å; Y30-L191 HydrophobicContact CD2-CD2 3.28Å; Y30-L191 HydrophobicContact CE1-CD2 4.35Å; Y30-L191 HydrophobicContact CE2-CD1 3.63Å; Y30-L191 HydrophobicContact CE2-CD2 3.12Å; Y30-L191 HydrophobicContact CE2-CG 3.95Å; Y30-L191 HydrophobicContact CG-CD2 3.96Å; L170-L191 HydrophobicContact CB-CD1 4.29Å; L170-L191 HydrophobicContact CD2-CD1 4.32Å; Q187-L191 PolarHBondContact O-N 3.46Å; Q187-L191 VanDerWaalsContact O-N 3.09Å; A188-L191 PolarHBondContact O-N 3.12Å; L191-S193 VanDerWaalsContact C-N 3.28Å; L191-S193 PolarHBondContact O-N 2.93Å; L191-L194 WeakPolarHBondContact O-CB 3.06Å; L191-L194 PolarHBondContact O-N 3.29Å; L191-L194 VanDerWaalsContact O-N 3.11Å; L191-L195 HydrophobicContact CD2-CD1 4.09Å; L191-L195 HydrophobicContact CG-CD1 4.37Å; L191-L195 WeakPolarHBondContact O-CG 2.93Å; L191-L195 PolarHBondContact O-N 3Å |
| 192 | F | 89.8 | Confident | 86.6 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 1% | 0.013 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -35.1 | 179.3 | -81.3 | -81.2 | 0 | 0 | 0 | 111.9 | L34 L92 I95 P96 A188 L195 I196 | L34-F192 HydrophobicContact CD1-CE2 4.07Å; L34-F192 HydrophobicContact CD1-CZ 4.39Å; L92-F192 HydrophobicContact CD2-CD1 3.82Å; L92-F192 HydrophobicContact CD2-CE1 4.03Å; I95-F192 HydrophobicContact CB-CE1 4.01Å; I95-F192 HydrophobicContact CB-CZ 4.13Å; I95-F192 HydrophobicContact CD1-CE1 4.01Å; I95-F192 HydrophobicContact CD1-CZ 4.46Å; I95-F192 HydrophobicContact CG2-CE1 3.81Å; I95-F192 HydrophobicContact CG2-CE2 3.9Å; I95-F192 HydrophobicContact CG2-CZ 3.4Å; P96-F192 HydrophobicContact CB-CB 4.19Å; P96-F192 HydrophobicContact CB-CD2 4.08Å; P96-F192 HydrophobicContact CB-CG 4.23Å; P96-F192 HydrophobicContact CG-CB 3.74Å; P96-F192 HydrophobicContact CG-CD1 4.49Å; P96-F192 HydrophobicContact CG-CD2 4.28Å; P96-F192 HydrophobicContact CG-CG 3.94Å; A188-F192 VanDerWaalsContact O-CD2 3.27Å; A188-F192 WeakPolarHBondContact O-CD2 3.4Å; A188-F192 PolarHBondContact O-N 3.11Å; F192-L195 HydrophobicContact CD1-CD1 4.32Å; F192-L195 PolarHBondContact O-N 2.81Å; F192-I196 VanDerWaalsContact O-CG1 3.26Å; F192-I196 WeakPolarHBondContact O-CG1 3.33Å; F192-I196 PolarHBondContact O-N 2.92Å |
| 193 | S | 89.8 | Confident | 87.7 | Confident | 39 Ų | 39 | 46 Ų | 46 | 27% | 0.273 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 172.6 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | E189 C190 L191 I196 L197 | E189-S193 WeakPolarHBondContact O-CB 3.41Å; E189-S193 PolarHBondContact O-N 3.4Å; E189-S193 PolarHBondContact O-OG 2.91Å; C190-S193 PolarHBondContact O-N 3.14Å; L191-S193 VanDerWaalsContact C-N 3.28Å; L191-S193 PolarHBondContact O-N 2.93Å; S193-I196 PolarHBondContact O-N 3.05Å; S193-L197 WeakPolarHBondContact O-CG 3.29Å; S193-L197 PolarHBondContact O-N 3.44Å |
| 194 | L | 91.1 | Very high | 88.7 | Confident | 54 Ų | 54 | 40.1 Ų | 40.1 | 28% | 0.283 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.7 | -40.8 | 175.3 | 178.4 | 138.6 | 0 | 0 | 0 | 111.8 | L170 W175 C190 L191 I196 L197 I198 | L170-L194 HydrophobicContact CD2-CD2 3.51Å; W175-L194 HydrophobicContact CH2-CD1 4.46Å; W175-L194 HydrophobicContact CZ3-CD1 4.5Å; C190-L194 PolarHBondContact O-N 3.37Å; L191-L194 WeakPolarHBondContact O-CB 3.06Å; L191-L194 PolarHBondContact O-N 3.29Å; L191-L194 VanDerWaalsContact O-N 3.11Å; L194-I196 PolarHBondContact O-N 3.47Å; L194-L197 PolarHBondContact O-N 3.12Å; L194-I198 HydrophobicContact CD2-CD1 3.49Å; L194-I198 VanDerWaalsContact CD2-CD1 3.49Å; L194-I198 HydrophobicContact CD2-CG1 4.45Å; L194-I198 HydrophobicContact CG-CD1 4.13Å; L194-I198 WeakPolarHBondContact O-CG1 3.23Å; L194-I198 PolarHBondContact O-N 2.93Å |
| 195 | L | 93.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.8 | -43.1 | 173.6 | -68.9 | 175 | 0 | 0 | 0 | 111.7 | I22 A26 L92 L170 L191 F192 L197 I198 F199 | I22-L195 HydrophobicContact CG2-CD2 3.68Å; A26-L195 HydrophobicContact CB-CD1 3.82Å; A26-L195 HydrophobicContact CB-CD2 4.05Å; L92-L195 HydrophobicContact CD1-CB 4.35Å; L92-L195 HydrophobicContact CD2-CB 4.28Å; L92-L195 HydrophobicContact CD2-CD1 4.27Å; L170-L195 HydrophobicContact CD1-CD2 4.2Å; L191-L195 HydrophobicContact CD2-CD1 4.09Å; L191-L195 HydrophobicContact CG-CD1 4.37Å; L191-L195 WeakPolarHBondContact O-CG 2.93Å; L191-L195 PolarHBondContact O-N 3Å; F192-L195 HydrophobicContact CD1-CD1 4.32Å; F192-L195 PolarHBondContact O-N 2.81Å; L195-L197 VanDerWaalsContact C-N 3.34Å; L195-L197 PolarHBondContact O-N 3.47Å; L195-I198 PolarHBondContact O-N 3.14Å; L195-F199 VanDerWaalsContact O-CB 3.26Å; L195-F199 WeakPolarHBondContact O-CB 3.43Å; L195-F199 PolarHBondContact O-N 3.07Å |
| 196 | I | 95.4 | Very high | 91 | Very high | 43 Ų | 43 | 37.2 Ų | 37.2 | 22% | 0.221 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.9 | -46 | 174.6 | -70.8 | 165.4 | 0 | 0 | 0 | 110.5 | L89 L92 F192 S193 L194 F199 V200 | L89-I196 HydrophobicContact CD2-CG2 4.21Å; L92-I196 HydrophobicContact CB-CD1 4.18Å; L92-I196 HydrophobicContact CB-CG1 3.66Å; L92-I196 HydrophobicContact CD1-CG1 4.13Å; F192-I196 VanDerWaalsContact O-CG1 3.26Å; F192-I196 WeakPolarHBondContact O-CG1 3.33Å; F192-I196 PolarHBondContact O-N 2.92Å; S193-I196 PolarHBondContact O-N 3.05Å; L194-I196 PolarHBondContact O-N 3.47Å; I196-F199 PolarHBondContact O-N 3.01Å; I196-V200 HydrophobicContact CG2-CG2 4.13Å; I196-V200 WeakPolarHBondContact O-CB 3.17Å; I196-V200 VanDerWaalsContact O-CG2 3.26Å; I196-V200 WeakPolarHBondContact O-CG2 3.21Å; I196-V200 PolarHBondContact O-N 3.5Å |
| 197 | L | 94.9 | Very high | 91.5 | Very high | 120 Ų | 120 | 36.2 Ų | 36.2 | 63% | 0.628 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -62.3 | -46 | 178.7 | -70.1 | 171.8 | 0 | 0 | 0 | 112.2 | S193 L194 L195 F199 T201 | S193-L197 WeakPolarHBondContact O-CG 3.29Å; S193-L197 PolarHBondContact O-N 3.44Å; L194-L197 PolarHBondContact O-N 3.12Å; L195-L197 VanDerWaalsContact C-N 3.34Å; L195-L197 PolarHBondContact O-N 3.47Å; L197-F199 VanDerWaalsContact C-N 3.32Å; L197-F199 PolarHBondContact O-N 3.29Å; L197-T201 WeakPolarHBondContact O-CB 3.49Å; L197-T201 VanDerWaalsContact O-CG2 3.26Å; L197-T201 WeakPolarHBondContact O-CG2 3.4Å; L197-T201 PolarHBondContact O-N 3.44Å; L197-T201 PolarHBondContact O-OG1 3.34Å |
| 198 | I | 95 | Very high | 92 | Very high | 49 Ų | 49 | 39.1 Ų | 39.1 | 25% | 0.251 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.3 | -43 | 176 | -68.3 | 172.6 | 0 | 0 | 0 | 110.5 | I22 L194 L195 T201 S202 | I22-I198 HydrophobicContact CD1-CG2 4.1Å; L194-I198 HydrophobicContact CD2-CD1 3.49Å; L194-I198 VanDerWaalsContact CD2-CD1 3.49Å; L194-I198 HydrophobicContact CD2-CG1 4.45Å; L194-I198 HydrophobicContact CG-CD1 4.13Å; L194-I198 WeakPolarHBondContact O-CG1 3.23Å; L194-I198 PolarHBondContact O-N 2.93Å; L195-I198 PolarHBondContact O-N 3.14Å; I198-T201 WeakPolarHBondContact CA-OG1 3.43Å; I198-T201 PolarHBondContact O-OG1 2.88Å; I198-S202 WeakPolarHBondContact O-CB 3.5Å; I198-S202 PolarHBondContact O-N 3.34Å; I198-S202 PolarHBondContact O-OG 2.76Å; I198-S202 VanDerWaalsContact O-OG 3.12Å |
| 199 | F | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70 | -45.7 | -178.8 | -166.7 | -101.3 | 0 | 0 | 0 | 112.1 | L16 L20 S85 V88 L89 L92 L195 I196 L197 T201 S202 V203 | L16-F199 HydrophobicContact CD1-CD2 4.39Å; L16-F199 HydrophobicContact CD1-CE2 3.7Å; L16-F199 HydrophobicContact CD1-CZ 3.93Å; L20-F199 HydrophobicContact CB-CE2 4.17Å; L20-F199 HydrophobicContact CD1-CE2 3.68Å; L20-F199 HydrophobicContact CD1-CZ 4.12Å; S85-F199 WeakPolarHBondContact O-CE1 3.48Å; V88-F199 HydrophobicContact CB-CE1 3.81Å; V88-F199 HydrophobicContact CB-CE2 4.39Å; V88-F199 HydrophobicContact CB-CZ 3.71Å; V88-F199 HydrophobicContact CG1-CD1 4.12Å; V88-F199 HydrophobicContact CG1-CD2 4.17Å; V88-F199 HydrophobicContact CG1-CE1 3.8Å; V88-F199 HydrophobicContact CG1-CE2 3.87Å; V88-F199 HydrophobicContact CG1-CG 4.28Å; V88-F199 HydrophobicContact CG1-CZ 3.65Å; V88-F199 HydrophobicContact CG2-CZ 4.14Å; L89-F199 HydrophobicContact CD1-CD1 4.45Å; L89-F199 HydrophobicContact CD2-CD1 3.61Å; L89-F199 HydrophobicContact CD2-CE1 4.38Å; L89-F199 HydrophobicContact CG-CD1 3.7Å; L89-F199 HydrophobicContact CG-CE1 3.96Å; L92-F199 HydrophobicContact CD1-CB 4.33Å; L195-F199 VanDerWaalsContact O-CB 3.26Å; L195-F199 WeakPolarHBondContact O-CB 3.43Å; L195-F199 PolarHBondContact O-N 3.07Å; I196-F199 PolarHBondContact O-N 3.01Å; L197-F199 VanDerWaalsContact C-N 3.32Å; L197-F199 PolarHBondContact O-N 3.29Å; F199-T201 PolarHBondContact O-N 2.86Å; F199-S202 WeakPolarHBondContact CA-OG 3.35Å; F199-S202 PolarHBondContact O-N 3.49Å; F199-S202 PolarHBondContact O-OG 3.31Å; F199-V203 HydrophobicContact CD1-CG2 3.93Å; F199-V203 HydrophobicContact CE1-CG2 3.59Å; F199-V203 HydrophobicContact CE2-CG2 4.48Å; F199-V203 HydrophobicContact CZ-CG2 3.91Å; F199-V203 VanDerWaalsContact O-CG2 3.3Å; F199-V203 WeakPolarHBondContact O-CG2 3.44Å; F199-V203 PolarHBondContact O-N 3.11Å |
| 200 | V | 96.9 | Very high | 92.5 | Very high | 51 Ų | 51 | 35 Ų | 35 | 31% | 0.309 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.8 | -46.1 | 176.8 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | L89 I196 S202 V203 I204 | L89-V200 HydrophobicContact CD1-CG2 4.24Å; L89-V200 HydrophobicContact CD2-CG2 3.58Å; I196-V200 HydrophobicContact CG2-CG2 4.13Å; I196-V200 WeakPolarHBondContact O-CB 3.17Å; I196-V200 VanDerWaalsContact O-CG2 3.26Å; I196-V200 WeakPolarHBondContact O-CG2 3.21Å; I196-V200 PolarHBondContact O-N 3.5Å; V200-S202 PolarHBondContact O-N 2.8Å; V200-V203 PolarHBondContact O-N 3.24Å; V200-I204 HydrophobicContact CG1-CD1 3.63Å; V200-I204 HydrophobicContact CG1-CG1 4.41Å; V200-I204 VanDerWaalsContact O-CG1 3.25Å; V200-I204 WeakPolarHBondContact O-CG1 3.49Å; V200-I204 PolarHBondContact O-N 2.61Å |
| 201 | T | 96.2 | Very high | 92.1 | Very high | 81 Ų | 81 | 38.2 Ų | 38.2 | 50% | 0.497 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 178.4 | 51.8 | 0 | 0 | 0 | 0 | 111.4 | L197 I198 F199 I204 V205 | L197-T201 WeakPolarHBondContact O-CB 3.49Å; L197-T201 VanDerWaalsContact O-CG2 3.26Å; L197-T201 WeakPolarHBondContact O-CG2 3.4Å; L197-T201 PolarHBondContact O-N 3.44Å; L197-T201 PolarHBondContact O-OG1 3.34Å; I198-T201 WeakPolarHBondContact CA-OG1 3.43Å; I198-T201 PolarHBondContact O-OG1 2.88Å; F199-T201 PolarHBondContact O-N 2.86Å; T201-I204 PolarHBondContact O-N 3.41Å; T201-V205 WeakPolarHBondContact O-CB 3.43Å; T201-V205 VanDerWaalsContact O-CG2 3.24Å; T201-V205 WeakPolarHBondContact O-CG2 3.45Å; T201-V205 PolarHBondContact O-N 3.47Å |
| 202 | S | 96.2 | Very high | 90.7 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.6 | -40.8 | 178.6 | 68.4 | 0 | 0 | 0 | 0 | 113.3 | S15 I198 F199 V200 V205 T206 | S15-S202 WeakPolarHBondContact O-CB 3.5Å; I198-S202 WeakPolarHBondContact O-CB 3.5Å; I198-S202 PolarHBondContact O-N 3.34Å; I198-S202 PolarHBondContact O-OG 2.76Å; I198-S202 VanDerWaalsContact O-OG 3.12Å; F199-S202 WeakPolarHBondContact CA-OG 3.35Å; F199-S202 PolarHBondContact O-N 3.49Å; F199-S202 PolarHBondContact O-OG 3.31Å; V200-S202 PolarHBondContact O-N 2.8Å; S202-V205 PolarHBondContact O-N 2.96Å; S202-T206 WeakPolarHBondContact O-CB 3.36Å; S202-T206 PolarHBondContact O-N 2.89Å; S202-T206 PolarHBondContact O-OG1 3.15Å |
| 203 | V | 95.5 | Very high | 88.9 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.8 | -49.3 | 173.4 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | L16 W82 F199 V200 V205 M207 | L16-V203 HydrophobicContact CD1-CB 4.39Å; L16-V203 HydrophobicContact CD1-CG2 3.46Å; L16-V203 VanDerWaalsContact CD1-CG2 3.46Å; L16-V203 HydrophobicContact CD2-CG2 4.35Å; W82-V203 HydrophobicContact CE3-CG1 4.35Å; W82-V203 HydrophobicContact CH2-CG1 4Å; W82-V203 HydrophobicContact CZ2-CG1 4.26Å; W82-V203 HydrophobicContact CZ3-CG1 4.05Å; F199-V203 HydrophobicContact CD1-CG2 3.93Å; F199-V203 HydrophobicContact CE1-CG2 3.59Å; F199-V203 HydrophobicContact CE2-CG2 4.48Å; F199-V203 HydrophobicContact CZ-CG2 3.91Å; F199-V203 VanDerWaalsContact O-CG2 3.3Å; F199-V203 WeakPolarHBondContact O-CG2 3.44Å; F199-V203 PolarHBondContact O-N 3.11Å; V200-V203 PolarHBondContact O-N 3.24Å; V203-V205 PolarHBondContact O-N 3.35Å; V203-M207 HydrophobicContact CG1-CG 4.32Å; V203-M207 WeakPolarHBondContact O-CB 3.26Å; V203-M207 WeakPolarHBondContact O-CG 3.18Å; V203-M207 PolarHBondContact O-N 3.02Å |
| 204 | I | 94.6 | Very high | 86.1 | Confident | 85 Ų | 85 | 51.4 Ų | 51.4 | 44% | 0.436 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | -178.5 | -68.2 | 167.6 | 0 | 0 | 0 | 110.5 | V200 T201 M207 K208 | V200-I204 HydrophobicContact CG1-CD1 3.63Å; V200-I204 HydrophobicContact CG1-CG1 4.41Å; V200-I204 VanDerWaalsContact O-CG1 3.25Å; V200-I204 WeakPolarHBondContact O-CG1 3.49Å; V200-I204 PolarHBondContact O-N 2.61Å; T201-I204 PolarHBondContact O-N 3.41Å; I204-M207 PolarHBondContact O-N 3.06Å; I204-K208 HydrophobicContact CG2-CG 4.36Å; I204-K208 WeakPolarHBondContact O-CB 3.35Å; I204-K208 VanDerWaalsContact O-CG 3.28Å; I204-K208 WeakPolarHBondContact O-CG 3.39Å; I204-K208 PolarHBondContact O-N 3.12Å |
| 205 | V | 94.6 | Very high | 83.3 | Confident | 48 Ų | 48 | 55 Ų | 55 | 29% | 0.291 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.8 | -52.2 | -180 | 169.4 | 0 | 0 | 0 | 0 | 111 | L12 T201 S202 V203 M207 K208 V209 | L12-V205 HydrophobicContact CB-CG1 3.94Å; L12-V205 HydrophobicContact CD2-CG1 3.75Å; L12-V205 HydrophobicContact CG-CG1 4.43Å; T201-V205 WeakPolarHBondContact O-CB 3.43Å; T201-V205 VanDerWaalsContact O-CG2 3.24Å; T201-V205 WeakPolarHBondContact O-CG2 3.45Å; T201-V205 PolarHBondContact O-N 3.47Å; S202-V205 PolarHBondContact O-N 2.96Å; V203-V205 PolarHBondContact O-N 3.35Å; V205-M207 VanDerWaalsContact C-N 3.34Å; V205-M207 PolarHBondContact O-N 3.39Å; V205-K208 PolarHBondContact O-N 2.95Å; V205-V209 WeakPolarHBondContact O-CG2 3.46Å; V205-V209 PolarHBondContact O-N 3.16Å |
| 206 | T | 93.4 | Very high | 80.4 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.006 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.6 | -42 | -179.8 | -70.8 | 0 | 0 | 0 | 0 | 111.5 | L12 L13 L16 S202 S210 | L12-T206 PolarHBondContact O-OG1 3.41Å; L13-T206 HydrophobicContact CD1-CG2 4.46Å; L13-T206 VanDerWaalsContact O-CG2 3.24Å; L13-T206 WeakPolarHBondContact O-CG2 3.4Å; L13-T206 PolarHBondContact O-OG1 3.49Å; L16-T206 HydrophobicContact CB-CG2 3.94Å; L16-T206 WeakPolarHBondContact CB-OG1 3.21Å; L16-T206 HydrophobicContact CD2-CG2 4.26Å; L16-T206 PolarHBondContact N-OG1 3.39Å; S202-T206 WeakPolarHBondContact O-CB 3.36Å; S202-T206 PolarHBondContact O-N 2.89Å; S202-T206 PolarHBondContact O-OG1 3.15Å; T206-S210 WeakPolarHBondContact O-CB 3.45Å; T206-S210 PolarHBondContact O-N 2.57Å; T206-S210 PolarHBondContact O-OG 3.42Å |
| 207 | M | 90.5 | Very high | 77.1 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.02 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 179.5 | -71.3 | -63.1 | 146.9 | 0 | 0 | 112 | L16 R78 I81 W82 V203 I204 V205 S210 E211 | L16-M207 HydrophobicContact CD2-CE 4.39Å; R78-M207 HydrophobicContact CB-SD 4.22Å; R78-M207 HydrophobicContact CG-SD 4.27Å; I81-M207 HydrophobicContact CB-CE 3.58Å; I81-M207 HydrophobicContact CD1-CE 4.18Å; I81-M207 HydrophobicContact CG1-CE 4.49Å; I81-M207 HydrophobicContact CG2-CE 3.22Å; W82-M207 HydrophobicContact CZ2-CG 4.14Å; V203-M207 HydrophobicContact CG1-CG 4.32Å; V203-M207 WeakPolarHBondContact O-CB 3.26Å; V203-M207 WeakPolarHBondContact O-CG 3.18Å; V203-M207 PolarHBondContact O-N 3.02Å; I204-M207 PolarHBondContact O-N 3.06Å; V205-M207 VanDerWaalsContact C-N 3.34Å; V205-M207 PolarHBondContact O-N 3.39Å; M207-S210 PolarHBondContact O-N 2.73Å; M207-S210 PolarHBondContact O-OG 3.35Å; M207-E211 PolarHBondContact O-N 3.05Å |
| 208 | K | 89.7 | Confident | 74.3 | Confident | 129 Ų | 129 | 61.4 Ų | 61.4 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64 | -45.8 | 177.5 | -71.4 | -65.9 | -179.9 | -169.7 | 0 | 112.7 | I204 V205 S210 E211 | I204-K208 HydrophobicContact CG2-CG 4.36Å; I204-K208 WeakPolarHBondContact O-CB 3.35Å; I204-K208 VanDerWaalsContact O-CG 3.28Å; I204-K208 WeakPolarHBondContact O-CG 3.39Å; I204-K208 PolarHBondContact O-N 3.12Å; V205-K208 PolarHBondContact O-N 2.95Å; K208-S210 VanDerWaalsContact C-N 3.27Å; K208-S210 PolarHBondContact O-N 3.14Å; K208-E211 IonicContact NZ-OE2 3.91Å; K208-E211 WeakPolarHBondContact O-CB 3.32Å; K208-E211 PolarHBondContact O-N 2.99Å |
| 209 | V | 90.3 | Very high | 71 | Confident | 16 Ų | 16 | 64 Ų | 64 | 10% | 0.097 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.1 | -31.5 | 179.2 | 172.6 | 0 | 0 | 0 | 0 | 111.9 | R9 L12 L13 V205 E211 E212 | R9-V209 HydrophobicContact CG-CG1 3.82Å; L12-V209 HydrophobicContact CB-CG1 4.44Å; L12-V209 HydrophobicContact CB-CG2 3.84Å; L12-V209 HydrophobicContact CD1-CG2 4.21Å; L13-V209 HydrophobicContact CB-CG1 4.31Å; V205-V209 WeakPolarHBondContact O-CG2 3.46Å; V205-V209 PolarHBondContact O-N 3.16Å; V209-E211 VanDerWaalsContact C-N 3.27Å; V209-E211 PolarHBondContact O-N 3.38Å; V209-E212 PolarHBondContact O-N 3.45Å |
| 210 | S | 84.5 | Confident | 67.7 | Low | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -68.2 | -26.3 | 176.5 | 79.6 | 0 | 0 | 0 | 0 | 112.8 | R78 T206 M207 K208 E212 P213 | R78-S210 PolarHBondContact NE-OG 2.85Å; R78-S210 PolarHBondContact NH2-O 3.47Å; T206-S210 WeakPolarHBondContact O-CB 3.45Å; T206-S210 PolarHBondContact O-N 2.57Å; T206-S210 PolarHBondContact O-OG 3.42Å; M207-S210 PolarHBondContact O-N 2.73Å; M207-S210 PolarHBondContact O-OG 3.35Å; K208-S210 VanDerWaalsContact C-N 3.27Å; K208-S210 PolarHBondContact O-N 3.14Å; S210-E212 PolarHBondContact O-N 2.83Å; S210-P213 WeakPolarHBondContact O-CD 3.08Å |
| 211 | E | 77.4 | Confident | 64.4 | Low | 73 Ų | 73 | 78.8 Ų | 78.8 | 34% | 0.341 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -16.4 | 178 | -79.4 | 172.9 | -178.8 | 0 | 0 | 113.6 | Y74 R78 M207 K208 V209 P213 | Y74-E211 WeakPolarHBondContact CE2-OE1 3.33Å; Y74-E211 PolarHBondContact OH-OE1 3.1Å; R78-E211 VanDerWaalsContact NH2-CA 3.33Å; M207-E211 PolarHBondContact O-N 3.05Å; K208-E211 IonicContact NZ-OE2 3.91Å; K208-E211 WeakPolarHBondContact O-CB 3.32Å; K208-E211 PolarHBondContact O-N 2.99Å; V209-E211 VanDerWaalsContact C-N 3.27Å; V209-E211 PolarHBondContact O-N 3.38Å; E211-P213 WeakPolarHBondContact O-CD 3.42Å |
| 212 | E | 58 | Low | 61.1 | Low | 130 Ų | 130 | 77.9 Ų | 77.9 | 61% | 0.607 | 48% | 0.475 | S | S | * | . | trans | -90.5 | 39.6 | -171.1 | -59.9 | -175.6 | 164.6 | 0 | 0 | 118.5 | R9 V209 S210 | R9-E212 VanDerWaalsContact NH2-C 3.28Å; R9-E212 PolarHBondContact NH2-O 3.24Å; V209-E212 PolarHBondContact O-N 3.45Å; S210-E212 PolarHBondContact O-N 2.83Å | ||
| 213 | P | 53.2 | Low | 57.9 | Low | 75 Ų | 75 | 84.1 Ų | 84.1 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | trans | -109.5 | 88 | 164.6 | 32.9 | -20.6 | 0 | 0 | 0 | 111.2 | L142 S210 E211 | L142-P213 HydrophobicContact CD2-CG 3.95Å; S210-P213 WeakPolarHBondContact O-CD 3.08Å; E211-P213 WeakPolarHBondContact O-CD 3.42Å | ||
| 214 | S | 31.3 | Very low | 54.6 | Low | 115 Ų | 115 | 90 Ų | 90 | 80% | 0.804 | 55% | 0.547 | S | S | * | . | trans | -138 | 104.5 | 156.3 | -70.8 | 0 | 0 | 0 | 0 | 108.2 | S216 | S214-S216 PolarHBondContact O-N 3.15Å; S214-S216 VanDerWaalsContact O-N 3.12Å | ||
| 215 | C | 31.3 | Very low | 51.4 | Low | 129 Ų | 129 | 92 Ų | 92 | 87% | 0.872 | 57% | 0.566 | S | S | * | * | trans | -58.2 | 114.1 | 168.8 | -97 | 0 | 0 | 0 | 0 | 109.5 | G217 | C215-G217 PolarHBondContact O-N 3.44Š| ||
| 216 | S | 32.4 | Very low | 48.1 | Very low | 123 Ų | 123 | 97.1 Ų | 97.1 | 86% | 0.86 | 59% | 0.586 | S | S | * | * | trans | -60.6 | 87.3 | 136 | 54 | 0 | 0 | 0 | 0 | 107.8 | S214 | S214-S216 PolarHBondContact O-N 3.15Å; S214-S216 VanDerWaalsContact O-N 3.12Å | ||
| 217 | G | 26.8 | Very low | 45.3 | Very low | 52 Ų | 52 | 102.5 Ų | 102.5 | 54% | 0.536 | 62% | 0.621 | S | S | . | * | trans | -84.4 | 149.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | C215 | C215-G217 PolarHBondContact O-N 3.44Š| ||
| 218 | P | 34.4 | Very low | 42.2 | Very low | 124 Ų | 124 | 105.9 Ų | 105.9 | 81% | 0.805 | 66% | 0.657 | S | S | * | * | trans | -73 | 134.2 | -162.2 | 30.9 | -33.5 | 0 | 0 | 0 | 111.3 | R220 | P218-R220 PolarHBondContact O-N 2.99Š| ||
| 219 | A | 27.3 | Very low | 39 | Very low | 103 Ų | 103 | 103.9 Ų | 103.9 | 85% | 0.851 | 67% | 0.673 | S | S | * | * | trans | -59.6 | 102.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109 | S221 | A219-S221 PolarHBondContact O-N 3.48Š| ||
| 220 | R | 27.6 | Very low | 35.8 | Very low | 244 Ų | 244 | 107.1 Ų | 107.1 | 92% | 0.921 | 71% | 0.709 | S | S | * | * | trans | -71 | 103.5 | 159.3 | -97.4 | -178 | 166.9 | 175.7 | -3.9 | 106.9 | P218 G222 | P218-R220 PolarHBondContact O-N 2.99Å; R220-G222 PolarHBondContact O-N 2.92Å | ||
| 221 | S | 27.7 | Very low | 32.9 | Very low | 118 Ų | 118 | 110.9 Ų | 110.9 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | trans | -57.9 | 108.8 | 165.5 | 49.6 | 0 | 0 | 0 | 0 | 110.2 | A219 | A219-S221 PolarHBondContact O-N 3.48Š| ||
| 222 | G | 26.4 | Very low | 30.5 | Very low | 61 Ų | 61 | 112.1 Ų | 112.1 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 148.8 | 154.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | R220 | R220-G222 PolarHBondContact O-N 2.92Š|
| 223 | P | 29.4 | Very low | 28.8 | Very low | 135 Ų | 135 | 117.4 Ų | 117.4 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 135.7 | -174.9 | -6.3 | 23.5 | 0 | 0 | 0 | 111.4 | ||
| 224 | L | 26 | Very low | 27.5 | Very low | 125 Ų | 125 | 122.9 Ų | 122.9 | 65% | 0.654 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 161.4 | 167.1 | -116 | 89.3 | 0 | 0 | 0 | 111.7 | E226 | L224-E226 HydrophobicContact CD2-CB 4.47Å; L224-E226 HydrophobicContact CD2-CG 3.79Å; L224-E226 WeakPolarHBondContact CD2-OE1 3.36Å |
| 225 | P | 27.1 | Very low | 27.1 | Very low | 128 Ų | 128 | 122 Ų | 122 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | -119.2 | 137.2 | 117.8 | 7 | 12.2 | 0 | 0 | 0 | 112.5 | |||||
| 226 | E | 26.2 | Very low | 26.8 | Very low | 155 Ų | 155 | 119.5 Ų | 119.5 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | trans | -69.1 | -169.2 | 175.6 | -73 | -94.2 | 132.4 | 0 | 0 | 112.9 | L224 | L224-E226 HydrophobicContact CD2-CB 4.47Å; L224-E226 HydrophobicContact CD2-CG 3.79Å; L224-E226 WeakPolarHBondContact CD2-OE1 3.36Å | ||
| 227 | P | 34.6 | Very low | 26.3 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | -133.9 | 169.9 | -72.6 | 40.3 | -22.9 | 0 | 0 | 0 | 111.2 | |||||
| 228 | G | 23.8 | Very low | 26.4 | Very low | 76 Ų | 76 | 129.8 Ų | 129.8 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | trans | -163.6 | 99.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 229 | G | 24.1 | Very low | 25.8 | Very low | 86 Ų | 86 | 126.9 Ų | 126.9 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | trans | 23.2 | 134.1 | 154.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 230 | G | 22.7 | Very low | 26.2 | Very low | 84 Ų | 84 | 130.1 Ų | 130.1 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | cis | 167.4 | 154.8 | 11.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 231 | G | 23.9 | Very low | 26.2 | Very low | 80 Ų | 80 | 123.8 Ų | 123.8 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | 152.7 | 98.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 232 | A | 26.2 | Very low | 26.3 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -38.4 | 136.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 233 | R | 22.3 | Very low | 26.4 | Very low | 240 Ų | 240 | 131 Ų | 131 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | 71.4 | 101.7 | 50.6 | -144.8 | -173.5 | -163.4 | -175.8 | 4.4 | 114.8 | |||||
| 234 | E | 25.2 | Very low | 26.4 | Very low | 190 Ų | 190 | 129.8 Ų | 129.8 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | -177.9 | 107.3 | 129.1 | -100.8 | -179.1 | 151.4 | 0 | 0 | 108.3 | |||||
| 235 | A | 24.7 | Very low | 26.6 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | 73.3 | 94.6 | 77.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 236 | G | 23.7 | Very low | 26.6 | Very low | 77 Ų | 77 | 130.3 Ų | 130.3 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 74 | 108.3 | 132.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 237 | R | 21.9 | Very low | 27 | Very low | 252 Ų | 252 | 129.4 Ų | 129.4 | 95% | 0.951 | 80% | 0.799 | S | S | * | * | -167.5 | 138 | 127.9 | -113.1 | 172.9 | -157.4 | -156 | 3.8 | 112.1 | G239 | R237-G239 PolarHBondContact O-N 3.25Š| |||
| 238 | C | 29.5 | Very low | 26.7 | Very low | 139 Ų | 139 | 130.1 Ų | 130.1 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | trans | -49.9 | 125.1 | 166.1 | -66.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 239 | G | 22.5 | Very low | 26.8 | Very low | 63 Ų | 63 | 137.6 Ų | 137.6 | 65% | 0.649 | 80% | 0.8 | S | S | * | * | trans | -140.8 | 102.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109 | R237 P241 | R237-G239 PolarHBondContact O-N 3.25Å; G239-P241 WeakPolarHBondContact O-CD 3.49Å | ||
| 240 | L | 35.8 | Very low | 26.9 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | -53.8 | 128.2 | 165 | -163.4 | 87.5 | 0 | 0 | 0 | 109.4 | ||||
| 241 | P | 26.4 | Very low | 27.3 | Very low | 111 Ų | 111 | 143 Ų | 143 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | trans | -113.7 | 114.4 | 163.5 | 25.9 | -7.7 | 0 | 0 | 0 | 110.9 | G239 S243 | G239-P241 WeakPolarHBondContact O-CD 3.49Å; P241-S243 PolarHBondContact O-N 3.39Å | ||
| 242 | R | 30.2 | Very low | 27.7 | Very low | 251 Ų | 251 | 146.7 Ų | 146.7 | 95% | 0.947 | 79% | 0.789 | S | S | * | * | trans | -17.6 | 63.7 | 147.2 | -70.9 | 171.5 | 161.3 | 167.4 | -5.4 | 117.2 | ||||
| 243 | S | 28.4 | Very low | 27.7 | Very low | 80 Ų | 80 | 153.9 Ų | 153.9 | 56% | 0.559 | 80% | 0.795 | S | S | * | * | trans | -126 | 39.1 | 165.8 | -158.9 | 0 | 0 | 0 | 0 | 111.1 | P241 | P241-S243 PolarHBondContact O-N 3.39Š| ||
| 244 | C | 29.8 | Very low | 28.5 | Very low | 109 Ų | 109 | 149.6 Ų | 149.6 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -102.8 | 0.6 | 173.7 | -72.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 245 | F | 29.8 | Very low | 29 | Very low | 183 Ų | 183 | 149.1 Ų | 149.1 | 80% | 0.803 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -111.4 | -1.8 | -176.2 | -109.8 | -92.6 | 0 | 0 | 0 | 115.4 | ||
| 246 | S | 27.3 | Very low | 29.5 | Very low | 81 Ų | 81 | 147.3 Ų | 147.3 | 57% | 0.566 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -94.2 | -20.3 | 171.1 | 53.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 247 | L | 33.3 | Very low | 30.3 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -84.3 | -16.3 | 177.9 | -86.1 | 157.6 | 0 | 0 | 0 | 113.9 | R249 C250 | L247-R249 PolarHBondContact O-N 3.35Å; L247-C250 PolarHBondContact O-N 2.71Å |
| 248 | L | 28.6 | Very low | 31.3 | Very low | 127 Ų | 127 | 137 Ų | 137 | 67% | 0.665 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -78.7 | -5.7 | 174.7 | -150.3 | 73.7 | 0 | 0 | 0 | 113.2 | C250 | L248-C250 VanDerWaalsContact C-N 3.27Š|
| 249 | R | 26.2 | Very low | 32.5 | Very low | 234 Ų | 234 | 133.9 Ų | 133.9 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -83.7 | -1.7 | 168.6 | -116 | -179.7 | -163.4 | -173.3 | 4.8 | 113.5 | L247 K251 | L247-R249 PolarHBondContact O-N 3.35Å; R249-K251 PolarHBondContact O-N 3.46Å |
| 250 | C | 26.9 | Very low | 33.4 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -93.4 | 35.8 | 169.9 | -140.7 | 0 | 0 | 0 | 0 | 111.5 | L247 L248 | L247-C250 PolarHBondContact O-N 2.71Å; L248-C250 VanDerWaalsContact C-N 3.27Å |
| 251 | K | 30.8 | Very low | 33.7 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | trans | -102.2 | 142 | 159.8 | -108 | -160.5 | 175 | -171.3 | 0 | 109.1 | R249 | R249-K251 PolarHBondContact O-N 3.46Š| ||
| 252 | L | 31.8 | Very low | 34.6 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 82% | 0.817 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 81.6 | 47.3 | 155.2 | -103.6 | 72 | 0 | 0 | 0 | 118.6 | ||
| 253 | R | 26.9 | Very low | 35.6 | Very low | 251 Ų | 251 | 124.8 Ų | 124.8 | 95% | 0.947 | 68% | 0.68 | S | S | * | * | trans | -127.3 | 29 | 146 | -75.6 | -168.6 | -171.7 | -174.3 | 2.8 | 112.5 | L255 | R253-L255 VanDerWaalsContact C-N 3.34Š| ||
| 254 | L | 38 | Very low | 36.6 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | trans | -102.4 | 48 | 173.5 | -153.7 | 79 | 0 | 0 | 0 | 110 | P259 | L254-P259 HydrophobicContact CD1-CG 4.23Š| ||
| 255 | L | 35.9 | Very low | 37.6 | Very low | 180 Ų | 180 | 130.2 Ų | 130.2 | 94% | 0.942 | 68% | 0.68 | S | S | * | * | trans | -138.5 | 79.4 | 167.9 | -152.9 | 85 | 0 | 0 | 0 | 106.8 | R253 | R253-L255 VanDerWaalsContact C-N 3.34Š| ||
| 256 | G | 36.5 | Very low | 38.7 | Very low | 57 Ų | 57 | 124.6 Ų | 124.6 | 59% | 0.588 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 179.8 | 138.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | G258 P259 | G256-G258 PolarHBondContact O-N 2.96Å; G256-P259 WeakPolarHBondContact O-CD 3.27Å |
| 257 | A | 39 | Very low | 40 | Very low | 66 Ų | 66 | 121.7 Ų | 121.7 | 55% | 0.545 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -57.3 | 11 | -169.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | L261 | A257-L261 HydrophobicContact CB-CD1 4.17Å; A257-L261 WeakPolarHBondContact O-CB 3.49Å; A257-L261 PolarHBondContact O-N 3.36Å |
| 258 | G | 44.5 | Very low | 41.1 | Very low | 48 Ų | 48 | 125.3 Ų | 125.3 | 50% | 0.495 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -63.1 | -45.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | G256 L260 L261 C262 | G256-G258 PolarHBondContact O-N 2.96Å; G258-L260 VanDerWaalsContact C-N 3.33Å; G258-L260 PolarHBondContact O-N 3.45Å; G258-L261 PolarHBondContact O-N 3.23Å; G258-C262 VanDerWaalsContact O-CB 3.31Å; G258-C262 WeakPolarHBondContact O-CB 3.48Å; G258-C262 PolarHBondContact O-N 3.34Å |
| 259 | P | 54.2 | Low | 42.6 | Very low | 72 Ų | 72 | 123.9 Ų | 123.9 | 47% | 0.468 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -65.4 | -38.9 | 177.3 | -18.9 | 30.7 | 0 | 0 | 0 | 111.8 | L254 G256 C262 L263 | L254-P259 HydrophobicContact CD1-CG 4.23Å; G256-P259 WeakPolarHBondContact O-CD 3.27Å; P259-C262 PolarHBondContact O-N 2.88Å; P259-L263 WeakPolarHBondContact O-CB 3.47Å; P259-L263 PolarHBondContact O-N 3.05Å |
| 260 | L | 41.4 | Very low | 44.2 | Very low | 120 Ų | 120 | 114.3 Ų | 114.3 | 63% | 0.628 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.6 | -42.3 | 179.3 | -150.6 | 95.9 | 0 | 0 | 0 | 111.4 | G258 C262 L263 L264 | G258-L260 VanDerWaalsContact C-N 3.33Å; G258-L260 PolarHBondContact O-N 3.45Å; L260-C262 VanDerWaalsContact C-N 3.34Å; L260-L263 WeakPolarHBondContact O-CB 3.41Å; L260-L263 PolarHBondContact O-N 3.49Å; L260-L264 HydrophobicContact CD2-CD1 4.3Å; L260-L264 WeakPolarHBondContact O-CB 3.43Å; L260-L264 PolarHBondContact O-N 3.37Å |
| 261 | L | 42.3 | Very low | 46 | Very low | 110 Ų | 110 | 112.5 Ų | 112.5 | 58% | 0.576 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.8 | -36.7 | 173.5 | -111.7 | 99.9 | 0 | 0 | 0 | 112 | A257 G258 L264 R265 | A257-L261 HydrophobicContact CB-CD1 4.17Å; A257-L261 WeakPolarHBondContact O-CB 3.49Å; A257-L261 PolarHBondContact O-N 3.36Å; G258-L261 PolarHBondContact O-N 3.23Å; L261-L264 PolarHBondContact O-N 2.9Å; L261-R265 VanDerWaalsContact O-CB 3.27Å; L261-R265 WeakPolarHBondContact O-CB 3.26Å; L261-R265 PolarHBondContact O-N 3.36Å |
| 262 | C | 45.3 | Very low | 47.6 | Very low | 80 Ų | 80 | 108.3 Ų | 108.3 | 54% | 0.541 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.9 | -43.8 | 175.2 | -162 | 0 | 0 | 0 | 0 | 110.7 | G258 P259 L260 R265 T266 | G258-C262 VanDerWaalsContact O-CB 3.31Å; G258-C262 WeakPolarHBondContact O-CB 3.48Å; G258-C262 PolarHBondContact O-N 3.34Å; P259-C262 PolarHBondContact O-N 2.88Å; L260-C262 VanDerWaalsContact C-N 3.34Å; C262-R265 PolarHBondContact O-N 3.04Å; C262-T266 WeakPolarHBondContact O-CB 3.5Å; C262-T266 PolarHBondContact O-N 3.41Å; C262-T266 PolarHBondContact O-OG1 2.93Å |
| 263 | L | 50.3 | Low | 48.9 | Very low | 95 Ų | 95 | 102.7 Ų | 102.7 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.3 | -46.3 | 171.7 | -109 | 140.7 | 0 | 0 | 0 | 112.1 | P259 L260 R265 T266 C267 | P259-L263 WeakPolarHBondContact O-CB 3.47Å; P259-L263 PolarHBondContact O-N 3.05Å; L260-L263 WeakPolarHBondContact O-CB 3.41Å; L260-L263 PolarHBondContact O-N 3.49Å; L263-R265 VanDerWaalsContact C-N 3.34Å; L263-R265 PolarHBondContact O-N 3.22Å; L263-T266 PolarHBondContact O-N 3.17Å; L263-C267 WeakPolarHBondContact O-CB 3.26Å; L263-C267 PolarHBondContact O-N 3.44Å; L263-C267 PolarHBondContact O-SG 2.95Å |
| 264 | L | 49 | Very low | 50.6 | Low | 108 Ų | 108 | 91.9 Ų | 91.9 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.8 | -39.4 | 176.1 | -95 | 148.6 | 0 | 0 | 0 | 112.5 | L260 L261 R268 | L260-L264 HydrophobicContact CD2-CD1 4.3Å; L260-L264 WeakPolarHBondContact O-CB 3.43Å; L260-L264 PolarHBondContact O-N 3.37Å; L261-L264 PolarHBondContact O-N 2.9Å; L264-R268 WeakPolarHBondContact O-CB 3.42Å; L264-R268 PolarHBondContact O-N 3.11Å |
| 265 | R | 50.9 | Low | 51.8 | Low | 195 Ų | 195 | 91.6 Ų | 91.6 | 74% | 0.736 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -71 | -40.3 | 178.3 | -149.4 | 173.8 | -159.7 | 164.3 | 3.7 | 111.2 | L261 C262 L263 R268 T269 | L261-R265 VanDerWaalsContact O-CB 3.27Å; L261-R265 WeakPolarHBondContact O-CB 3.26Å; L261-R265 PolarHBondContact O-N 3.36Å; C262-R265 PolarHBondContact O-N 3.04Å; L263-R265 VanDerWaalsContact C-N 3.34Å; L263-R265 PolarHBondContact O-N 3.22Å; R265-R268 PolarHBondContact O-N 3.25Å; R265-T269 PolarHBondContact O-N 2.94Å; R265-T269 PolarHBondContact O-OG1 2.84Å |
| 266 | T | 54.3 | Low | 53.1 | Low | 65 Ų | 65 | 89.6 Ų | 89.6 | 40% | 0.399 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62 | -51.2 | 171.6 | -55.3 | 0 | 0 | 0 | 0 | 110.3 | C262 L263 R268 T269 T270 | C262-T266 WeakPolarHBondContact O-CB 3.5Å; C262-T266 PolarHBondContact O-N 3.41Å; C262-T266 PolarHBondContact O-OG1 2.93Å; L263-T266 PolarHBondContact O-N 3.17Å; T266-R268 VanDerWaalsContact C-N 3.3Å; T266-R268 PolarHBondContact O-N 3.15Å; T266-T269 CarbonylContact O-C 3.59Å; T266-T269 PolarHBondContact O-N 3.18Å; T266-T269 PolarHBondContact O-OG1 3.13Å; T266-T270 HydrophobicContact CG2-CG2 3.81Å; T266-T270 WeakPolarHBondContact O-CB 3.38Å; T266-T270 WeakPolarHBondContact O-CG2 3.27Å; T266-T270 PolarHBondContact O-N 3.39Å; T266-T270 PolarHBondContact O-OG1 2.92Å |
| 267 | C | 54 | Low | 54.2 | Low | 21 Ų | 21 | 87.9 Ų | 87.9 | 14% | 0.142 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -53.9 | -43.9 | 175.4 | -74.6 | 0 | 0 | 0 | 0 | 112.2 | L263 T269 T270 I271 | L263-C267 WeakPolarHBondContact O-CB 3.26Å; L263-C267 PolarHBondContact O-N 3.44Å; L263-C267 PolarHBondContact O-SG 2.95Å; C267-T269 VanDerWaalsContact C-N 3.25Å; C267-T269 PolarHBondContact O-N 3.38Å; C267-T270 WeakPolarHBondContact CA-OG1 3.44Å; C267-T270 PolarHBondContact O-N 3.28Å; C267-T270 PolarHBondContact O-OG1 2.9Å; C267-I271 HydrophobicContact CB-CD1 4.23Å; C267-I271 WeakPolarHBondContact O-CB 3.5Å; C267-I271 VanDerWaalsContact O-CD1 3.3Å; C267-I271 WeakPolarHBondContact O-CD1 3.36Å; C267-I271 WeakPolarHBondContact O-CG1 3.4Å; C267-I271 PolarHBondContact O-N 3.06Å |
| 268 | R | 55.8 | Low | 55.5 | Low | 212 Ų | 212 | 91.4 Ų | 91.4 | 80% | 0.8 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.4 | -29.5 | 179.4 | -172 | 174.1 | 168.3 | 150.1 | -1.1 | 113.1 | L264 R265 T266 | L264-R268 WeakPolarHBondContact O-CB 3.42Å; L264-R268 PolarHBondContact O-N 3.11Å; R265-R268 PolarHBondContact O-N 3.25Å; T266-R268 VanDerWaalsContact C-N 3.3Å; T266-R268 PolarHBondContact O-N 3.15Å |
| 269 | T | 61 | Low | 56.4 | Low | 98 Ų | 98 | 93 Ų | 93 | 60% | 0.601 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -91.7 | -29.5 | 176.1 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | R265 T266 C267 | R265-T269 PolarHBondContact O-N 2.94Å; R265-T269 PolarHBondContact O-OG1 2.84Å; T266-T269 CarbonylContact O-C 3.59Å; T266-T269 PolarHBondContact O-N 3.18Å; T266-T269 PolarHBondContact O-OG1 3.13Å; C267-T269 VanDerWaalsContact C-N 3.25Å; C267-T269 PolarHBondContact O-N 3.38Å |
| 270 | T | 58.8 | Low | 57.1 | Low | 33 Ų | 33 | 97.3 Ų | 97.3 | 20% | 0.202 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -88 | -29 | -176.2 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | L62 T266 C267 A273 I274 | L62-T270 WeakPolarHBondContact CD2-OG1 3.28Å; T266-T270 HydrophobicContact CG2-CG2 3.81Å; T266-T270 WeakPolarHBondContact O-CB 3.38Å; T266-T270 WeakPolarHBondContact O-CG2 3.27Å; T266-T270 PolarHBondContact O-N 3.39Å; T266-T270 PolarHBondContact O-OG1 2.92Å; C267-T270 WeakPolarHBondContact CA-OG1 3.44Å; C267-T270 PolarHBondContact O-N 3.28Å; C267-T270 PolarHBondContact O-OG1 2.9Å; T270-A273 PolarHBondContact O-N 3.16Å; T270-I274 WeakPolarHBondContact O-CB 3.41Å; T270-I274 WeakPolarHBondContact O-CD1 3.27Å; T270-I274 VanDerWaalsContact O-CG1 3.23Å; T270-I274 WeakPolarHBondContact O-CG1 3.38Å; T270-I274 PolarHBondContact O-N 2.97Å |
| 271 | I | 66.1 | Low | 58.9 | Low | 79 Ų | 79 | 92.7 Ų | 92.7 | 41% | 0.405 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -56.5 | -47.8 | 177.7 | -71.5 | 164.3 | 0 | 0 | 0 | 112.2 | L62 C267 A273 I274 F275 | L62-I271 HydrophobicContact CD1-CG1 4.34Å; L62-I271 HydrophobicContact CD2-CG1 4.07Å; C267-I271 HydrophobicContact CB-CD1 4.23Å; C267-I271 WeakPolarHBondContact O-CB 3.5Å; C267-I271 VanDerWaalsContact O-CD1 3.3Å; C267-I271 WeakPolarHBondContact O-CD1 3.36Å; C267-I271 WeakPolarHBondContact O-CG1 3.4Å; C267-I271 PolarHBondContact O-N 3.06Å; I271-A273 PolarHBondContact O-N 2.93Å; I271-I274 PolarHBondContact O-N 2.99Å; I271-F275 WeakPolarHBondContact O-CB 3.46Å; I271-F275 PolarHBondContact O-N 2.93Å |
| 272 | P | 63 | Low | 60.9 | Low | 79 Ų | 79 | 88.8 Ų | 88.8 | 51% | 0.513 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 176.4 | -19.8 | 31.7 | 0 | 0 | 0 | 113.1 | W276 | P272-W276 WeakPolarHBondContact O-CB 3.26Å; P272-W276 PolarHBondContact O-N 3.36Å |
| 273 | A | 60 | Low | 62.7 | Low | 37 Ų | 37 | 94.3 Ų | 94.3 | 31% | 0.306 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | T270 I271 W276 S277 | T270-A273 PolarHBondContact O-N 3.16Å; I271-A273 PolarHBondContact O-N 2.93Å; A273-W276 PolarHBondContact O-N 3.32Å; A273-S277 WeakPolarHBondContact O-CB 3.45Å; A273-S277 PolarHBondContact O-N 2.91Å |
| 274 | I | 61.6 | Low | 64.6 | Low | 24 Ų | 24 | 90.1 Ų | 90.1 | 12% | 0.123 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -69.8 | -42.2 | 176.5 | -71.2 | 161.1 | 0 | 0 | 0 | 111 | P61 L62 T270 I271 W276 S277 Y278 | P61-I274 HydrophobicContact CB-CG2 3.73Å; L62-I274 HydrophobicContact CB-CD1 4.17Å; L62-I274 HydrophobicContact CD2-CD1 3.2Å; L62-I274 HydrophobicContact CG-CD1 3.69Å; T270-I274 WeakPolarHBondContact O-CB 3.41Å; T270-I274 WeakPolarHBondContact O-CD1 3.27Å; T270-I274 VanDerWaalsContact O-CG1 3.23Å; T270-I274 WeakPolarHBondContact O-CG1 3.38Å; T270-I274 PolarHBondContact O-N 2.97Å; I271-I274 PolarHBondContact O-N 2.99Å; I274-W276 VanDerWaalsContact C-N 3.27Å; I274-W276 PolarHBondContact O-N 2.95Å; I274-S277 CarbonylContact O-C 3.55Å; I274-S277 WeakPolarHBondContact O-CB 3.24Å; I274-S277 PolarHBondContact O-N 3.34Å; I274-S277 VanDerWaalsContact O-N 3.16Å; I274-Y278 WeakPolarHBondContact O-CB 3.15Å; I274-Y278 PolarHBondContact O-N 3.07Å |
| 275 | F | 64.3 | Low | 66.4 | Low | 145 Ų | 145 | 85 Ų | 85 | 64% | 0.636 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -58.1 | -44.1 | 172.9 | -178.9 | -100.9 | 0 | 0 | 0 | 110.7 | I271 S277 Y278 C279 | I271-F275 WeakPolarHBondContact O-CB 3.46Å; I271-F275 PolarHBondContact O-N 2.93Å; F275-S277 VanDerWaalsContact C-N 3.34Å; F275-S277 PolarHBondContact O-N 2.98Å; F275-Y278 WeakPolarHBondContact O-CB 3.36Å; F275-Y278 PolarHBondContact O-N 2.9Å; F275-C279 PolarHBondContact O-N 3.18Å; F275-C279 PolarHBondContact O-SG 3.22Å |
| 276 | W | 61.7 | Low | 68.2 | Low | 138 Ų | 138 | 83 Ų | 83 | 52% | 0.523 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.5 | -34.7 | 176.4 | -162.9 | 78.8 | 0 | 0 | 0 | 113.2 | P272 A273 I274 C279 R280 | P272-W276 WeakPolarHBondContact O-CB 3.26Å; P272-W276 PolarHBondContact O-N 3.36Å; A273-W276 PolarHBondContact O-N 3.32Å; I274-W276 VanDerWaalsContact C-N 3.27Å; I274-W276 PolarHBondContact O-N 2.95Å; W276-C279 WeakPolarHBondContact O-CB 3.43Å; W276-C279 PolarHBondContact O-N 2.85Å; W276-R280 VanDerWaalsContact CZ2-NE 3.28Å; W276-R280 PolarHBondContact O-N 3.35Å; W276-R280 VanDerWaalsContact O-N 3.13Å |
| 277 | S | 60.5 | Low | 70 | Confident | 21 Ų | 21 | 83.5 Ų | 83.5 | 15% | 0.147 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.9 | -36.7 | 173.6 | -165.1 | 0 | 0 | 0 | 0 | 112.3 | A273 I274 F275 C279 R280 V281 L488 | A273-S277 WeakPolarHBondContact O-CB 3.45Å; A273-S277 PolarHBondContact O-N 2.91Å; I274-S277 CarbonylContact O-C 3.55Å; I274-S277 WeakPolarHBondContact O-CB 3.24Å; I274-S277 PolarHBondContact O-N 3.34Å; I274-S277 VanDerWaalsContact O-N 3.16Å; F275-S277 VanDerWaalsContact C-N 3.34Å; F275-S277 PolarHBondContact O-N 2.98Å; S277-C279 VanDerWaalsContact C-N 3.32Å; S277-R280 CarbonylContact O-C 3.42Å; S277-R280 PolarHBondContact O-N 2.87Å; S277-R280 VanDerWaalsContact O-N 3.08Å; S277-V281 PolarHBondContact O-N 3.03Å; S277-L488 VanDerWaalsContact OG-CD2 3.27Å; S277-L488 WeakPolarHBondContact OG-CD2 3.45Å |
| 278 | Y | 66.9 | Low | 71.8 | Confident | 140 Ų | 140 | 82.5 Ų | 82.5 | 55% | 0.549 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 170.9 | -165.6 | -94.3 | 0 | 0 | 0 | 111.3 | I274 F275 R280 V281 I492 | I274-Y278 WeakPolarHBondContact O-CB 3.15Å; I274-Y278 PolarHBondContact O-N 3.07Å; F275-Y278 WeakPolarHBondContact O-CB 3.36Å; F275-Y278 PolarHBondContact O-N 2.9Å; Y278-R280 PolarHBondContact O-N 3.12Å; Y278-V281 VanDerWaalsContact O-CG2 3.31Å; Y278-V281 WeakPolarHBondContact O-CG2 3.5Å; Y278-I492 HydrophobicContact CE2-CG2 4.41Å |
| 279 | C | 62.8 | Low | 73.6 | Confident | 82 Ų | 82 | 73.1 Ų | 73.1 | 55% | 0.554 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67.7 | -20.5 | 173.1 | -65.2 | 0 | 0 | 0 | 0 | 113.6 | F275 W276 S277 | F275-C279 PolarHBondContact O-N 3.18Å; F275-C279 PolarHBondContact O-SG 3.22Å; W276-C279 WeakPolarHBondContact O-CB 3.43Å; W276-C279 PolarHBondContact O-N 2.85Å; S277-C279 VanDerWaalsContact C-N 3.32Å |
| 280 | R | 69.8 | Low | 75.1 | Confident | 161 Ų | 161 | 70.4 Ų | 70.4 | 61% | 0.608 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 25.1 | -179.4 | -75.4 | -172.6 | 171.1 | -159.1 | 0.2 | 114 | W276 S277 Y278 P282 | W276-R280 VanDerWaalsContact CZ2-NE 3.28Å; W276-R280 PolarHBondContact O-N 3.35Å; W276-R280 VanDerWaalsContact O-N 3.13Å; S277-R280 CarbonylContact O-C 3.42Å; S277-R280 PolarHBondContact O-N 2.87Å; S277-R280 VanDerWaalsContact O-N 3.08Å; Y278-R280 PolarHBondContact O-N 3.12Å; R280-P282 WeakPolarHBondContact O-CD 3.36Å |
| 281 | V | 78.5 | Confident | 76.8 | Confident | 24 Ų | 24 | 68.9 Ų | 68.9 | 15% | 0.145 | 33% | 0.326 | C | S | . | . | trans | -64.9 | 126.7 | 173.8 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | S277 Y278 I285 R286 I492 | S277-V281 PolarHBondContact O-N 3.03Å; Y278-V281 VanDerWaalsContact O-CG2 3.31Å; Y278-V281 WeakPolarHBondContact O-CG2 3.5Å; V281-I285 HydrophobicContact CG1-CB 3.78Å; V281-I285 HydrophobicContact CG1-CG2 3.77Å; V281-R286 HydrophobicContact CG1-CB 4.16Å; V281-I492 HydrophobicContact CG2-CD1 3.87Å | ||
| 282 | P | 83.9 | Confident | 78.2 | Confident | 27 Ų | 27 | 65.1 Ų | 65.1 | 18% | 0.175 | 31% | 0.307 | C | S | . | . | trans | -56 | 149.4 | 175.2 | -27.1 | 37.2 | 0 | 0 | 0 | 112.2 | R280 V284 I285 R286 L425 R484 | R280-P282 WeakPolarHBondContact O-CD 3.36Å; P282-V284 PolarHBondContact O-N 2.99Å; P282-V284 VanDerWaalsContact O-N 3.15Å; P282-I285 PolarHBondContact O-N 3.27Å; P282-I285 VanDerWaalsContact O-N 3.11Å; P282-R286 PolarHBondContact O-N 2.94Å; P282-L425 HydrophobicContact CB-CD2 4.01Å; P282-L425 HydrophobicContact CG-CD2 3.86Å; P282-R484 VanDerWaalsContact CD-NH2 3.33Å | ||
| 283 | R | 84.4 | Confident | 79.7 | Confident | 196 Ų | 196 | 63 Ų | 63 | 74% | 0.74 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -54.2 | -40.8 | -174.7 | -66.8 | -176.7 | 177.2 | -176.5 | -1 | 112.7 | R286 Q287 | R283-R286 PolarHBondContact O-N 3.45Å; R283-Q287 WeakPolarHBondContact O-CG 3.28Å; R283-Q287 PolarHBondContact O-N 2.87Å |
| 284 | V | 88.3 | Confident | 81.4 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 5% | 0.048 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.1 | -47.1 | -179.7 | 177.5 | 0 | 0 | 0 | 0 | 111.7 | P282 Q287 L288 Y417 Y424 V540 L546 | P282-V284 PolarHBondContact O-N 2.99Å; P282-V284 VanDerWaalsContact O-N 3.15Å; V284-Q287 PolarHBondContact O-N 2.9Å; V284-L288 PolarHBondContact O-N 3.05Å; V284-L288 VanDerWaalsContact O-N 3.15Å; V284-Y417 HydrophobicContact CG1-CD1 3.89Å; V284-Y417 HydrophobicContact CG1-CD2 3.89Å; V284-Y417 HydrophobicContact CG1-CE1 3.46Å; V284-Y417 VanDerWaalsContact CG1-CE1 3.46Å; V284-Y417 HydrophobicContact CG1-CE2 3.46Å; V284-Y417 VanDerWaalsContact CG1-CE2 3.46Å; V284-Y417 HydrophobicContact CG1-CG 4.08Å; V284-Y417 WeakPolarHBondContact CG1-OH 3.44Å; V284-Y424 HydrophobicContact CG1-CD1 4.23Å; V284-Y424 HydrophobicContact CG2-CD1 4.38Å; V284-Y424 WeakPolarHBondContact CG2-O 3.44Å; V284-V540 HydrophobicContact CG1-CB 4.15Å; V284-V540 HydrophobicContact CG2-CG2 4.38Å; V284-L546 HydrophobicContact CG2-CD2 3.7Å |
| 285 | I | 87.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72.1 | -36.7 | 179.4 | -59.5 | -161.3 | 0 | 0 | 0 | 110.9 | V281 P282 Q287 L288 C289 Y417 L425 R484 D489 | V281-I285 HydrophobicContact CG1-CB 3.78Å; V281-I285 HydrophobicContact CG1-CG2 3.77Å; P282-I285 PolarHBondContact O-N 3.27Å; P282-I285 VanDerWaalsContact O-N 3.11Å; I285-Q287 VanDerWaalsContact C-N 3.34Å; I285-Q287 PolarHBondContact O-N 3.29Å; I285-L288 PolarHBondContact O-N 3.18Å; I285-C289 WeakPolarHBondContact O-CB 3.38Å; I285-C289 PolarHBondContact O-N 3.33Å; I285-C289 PolarHBondContact O-SG 3.44Å; I285-Y417 HydrophobicContact CG1-CD2 4.2Å; I285-L425 HydrophobicContact CD1-CD2 3.83Å; I285-L425 HydrophobicContact CG1-CD2 4.01Å; I285-R484 VanDerWaalsContact CD1-NH1 3.26Å; I285-D489 HydrophobicContact CD1-CB 4.17Å; I285-D489 VanDerWaalsContact CD1-OD1 3.3Å; I285-D489 WeakPolarHBondContact CD1-OD1 3.28Å; I285-D489 WeakPolarHBondContact CD1-OD2 3.46Å |
| 286 | R | 89.3 | Confident | 84.6 | Confident | 154 Ų | 154 | 54.4 Ų | 54.4 | 58% | 0.581 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.3 | -39.4 | 176.2 | -172.5 | 175.6 | 60.1 | 173.5 | 0.6 | 112.4 | V281 P282 R283 C289 A290 | V281-R286 HydrophobicContact CG1-CB 4.16Å; P282-R286 PolarHBondContact O-N 2.94Å; R283-R286 PolarHBondContact O-N 3.45Å; R286-C289 PolarHBondContact O-N 3.02Å; R286-A290 WeakPolarHBondContact O-CB 3.4Å; R286-A290 PolarHBondContact O-N 3.4Å |
| 287 | Q | 91.1 | Very high | 86.1 | Confident | 74 Ų | 74 | 48.5 Ų | 48.5 | 35% | 0.346 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 173.9 | -75.5 | 168.1 | -32.2 | 0 | 0 | 111.3 | R283 V284 I285 A290 A291 | R283-Q287 WeakPolarHBondContact O-CG 3.28Å; R283-Q287 PolarHBondContact O-N 2.87Å; V284-Q287 PolarHBondContact O-N 2.9Å; I285-Q287 VanDerWaalsContact C-N 3.34Å; I285-Q287 PolarHBondContact O-N 3.29Å; Q287-A290 PolarHBondContact O-N 3.38Å; Q287-A291 PolarHBondContact O-N 3.35Å; Q287-A291 VanDerWaalsContact O-N 3.12Å |
| 288 | L | 92.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.2 | -47.5 | 174.9 | -178.8 | 60.2 | 0 | 0 | 0 | 111.4 | V284 I285 A290 A291 Q292 P410 L413 Y417 L493 I539 | V284-L288 PolarHBondContact O-N 3.05Å; V284-L288 VanDerWaalsContact O-N 3.15Å; I285-L288 PolarHBondContact O-N 3.18Å; L288-A290 PolarHBondContact O-N 3.02Å; L288-A291 PolarHBondContact O-N 3.42Å; L288-Q292 WeakPolarHBondContact O-CB 3.46Å; L288-Q292 PolarHBondContact O-N 2.95Å; L288-P410 HydrophobicContact CD1-CB 4.29Å; L288-L413 HydrophobicContact CD1-CD2 4.04Å; L288-L413 HydrophobicContact CD2-CD2 4.3Å; L288-Y417 HydrophobicContact CD2-CE2 3.91Å; L288-L493 HydrophobicContact CD2-CD2 4.08Å; L288-L493 HydrophobicContact CG-CD2 4.23Å; L288-I539 HydrophobicContact CD1-CD1 4.15Å; L288-I539 HydrophobicContact CD1-CG2 4.13Å |
| 289 | C | 92.6 | Very high | 89.2 | Confident | 14 Ų | 14 | 40.9 Ų | 40.9 | 10% | 0.095 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.2 | -39.8 | 179.5 | -66 | 0 | 0 | 0 | 0 | 112.7 | I285 R286 Q292 L293 I492 T496 | I285-C289 WeakPolarHBondContact O-CB 3.38Å; I285-C289 PolarHBondContact O-N 3.33Å; I285-C289 PolarHBondContact O-SG 3.44Å; R286-C289 PolarHBondContact O-N 3.02Å; C289-Q292 PolarHBondContact O-N 2.9Å; C289-L293 VanDerWaalsContact O-CB 3.26Å; C289-L293 WeakPolarHBondContact O-CB 3.33Å; C289-L293 PolarHBondContact O-N 3.32Å; C289-I492 VanDerWaalsContact SG-CG2 3.55Å; C289-T496 HydrophobicContact CB-CG2 3.84Å |
| 290 | A | 92.9 | Very high | 90.5 | Very high | 42 Ų | 42 | 37.7 Ų | 37.7 | 35% | 0.347 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.1 | -45.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R286 Q287 L288 C294 | R286-A290 WeakPolarHBondContact O-CB 3.4Å; R286-A290 PolarHBondContact O-N 3.4Å; Q287-A290 PolarHBondContact O-N 3.38Å; L288-A290 PolarHBondContact O-N 3.02Å; A290-C294 PolarHBondContact O-N 3.36Å |
| 291 | A | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.6 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q287 L288 C294 S295 L535 I539 | Q287-A291 PolarHBondContact O-N 3.35Å; Q287-A291 VanDerWaalsContact O-N 3.12Å; L288-A291 PolarHBondContact O-N 3.42Å; A291-C294 PolarHBondContact O-N 2.85Å; A291-S295 VanDerWaalsContact O-CB 3.28Å; A291-S295 WeakPolarHBondContact O-CB 3.36Å; A291-S295 PolarHBondContact O-N 2.87Å; A291-S295 PolarHBondContact O-OG 2.89Å; A291-L535 HydrophobicContact CB-CB 3.91Å; A291-I539 HydrophobicContact CB-CD1 3.56Å; A291-I539 HydrophobicContact CB-CG1 3.71Å |
| 292 | Q | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 177.7 | -176 | 70 | -10.9 | 0 | 0 | 111.8 | L288 C289 S295 W296 L406 L493 T496 | L288-Q292 WeakPolarHBondContact O-CB 3.46Å; L288-Q292 PolarHBondContact O-N 2.95Å; C289-Q292 PolarHBondContact O-N 2.9Å; Q292-S295 PolarHBondContact O-N 2.9Å; Q292-W296 VanDerWaalsContact CD-CD1 3.45Å; Q292-W296 VanDerWaalsContact NE2-CD1 3.33Å; Q292-W296 PolarHBondContact O-N 3.17Å; Q292-L406 PolarHBondContact NE2-O 2.86Å; Q292-L406 VanDerWaalsContact OE1-CD2 3.26Å; Q292-L493 HydrophobicContact CG-CD2 4.22Å; Q292-T496 WeakPolarHBondContact CG-OG1 3.32Å |
| 293 | L | 95.1 | Very high | 92.5 | Very high | 35 Ų | 35 | 29.6 Ų | 29.6 | 18% | 0.183 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.6 | -52 | 176.8 | 177.8 | 62.5 | 0 | 0 | 0 | 111 | C289 S295 M297 T496 L499 | C289-L293 VanDerWaalsContact O-CB 3.26Å; C289-L293 WeakPolarHBondContact O-CB 3.33Å; C289-L293 PolarHBondContact O-N 3.32Å; L293-S295 VanDerWaalsContact C-N 3.32Å; L293-S295 PolarHBondContact O-N 2.99Å; L293-M297 HydrophobicContact CD1-CG 4.28Å; L293-M297 HydrophobicContact CD1-SD 4.28Å; L293-M297 HydrophobicContact CG-SD 4.12Å; L293-M297 VanDerWaalsContact O-CB 3.31Å; L293-M297 WeakPolarHBondContact O-CB 3.29Å; L293-M297 WeakPolarHBondContact O-CG 3.16Å; L293-M297 PolarHBondContact O-N 3Å; L293-T496 HydrophobicContact CB-CG2 4.5Å; L293-T496 VanDerWaalsContact CD1-O 3.29Å; L293-T496 WeakPolarHBondContact CD1-O 3.49Å; L293-L499 HydrophobicContact CD1-CB 3.92Å; L293-L499 HydrophobicContact CD1-CD2 3.81Å; L293-L499 HydrophobicContact CD1-CG 3.92Å; L293-L499 HydrophobicContact CD2-CD2 3.96Å |
| 294 | C | 95.5 | Very high | 92.6 | Very high | 21 Ų | 21 | 23.7 Ų | 23.7 | 14% | 0.142 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.5 | -36.3 | 179.4 | -70.4 | 0 | 0 | 0 | 0 | 112.6 | A290 A291 M297 A298 V531 A532 L535 | A290-C294 PolarHBondContact O-N 3.36Å; A291-C294 PolarHBondContact O-N 2.85Å; C294-M297 PolarHBondContact O-N 3Å; C294-A298 PolarHBondContact O-N 3.13Å; C294-V531 HydrophobicContact CB-CG1 4.43Å; C294-A532 HydrophobicContact CB-CB 4.07Å; C294-L535 HydrophobicContact CB-CD1 3.94Å; C294-L535 WeakPolarHBondContact SG-CD1 3.35Å |
| 295 | S | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.5 | -47.7 | 179 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | A291 Q292 L293 M297 A298 V299 Y369 A532 | A291-S295 VanDerWaalsContact O-CB 3.28Å; A291-S295 WeakPolarHBondContact O-CB 3.36Å; A291-S295 PolarHBondContact O-N 2.87Å; A291-S295 PolarHBondContact O-OG 2.89Å; Q292-S295 PolarHBondContact O-N 2.9Å; L293-S295 VanDerWaalsContact C-N 3.32Å; L293-S295 PolarHBondContact O-N 2.99Å; S295-M297 VanDerWaalsContact C-N 3.34Å; S295-A298 WeakPolarHBondContact O-CB 3.37Å; S295-A298 PolarHBondContact O-N 3.28Å; S295-V299 WeakPolarHBondContact O-CG2 3.26Å; S295-V299 PolarHBondContact O-N 3.42Å; S295-V299 VanDerWaalsContact O-N 3.15Å; S295-Y369 WeakPolarHBondContact CB-OH 2.92Å; S295-Y369 PolarHBondContact OG-OH 2.64Å; S295-A532 WeakPolarHBondContact OG-CB 3.43Å |
| 296 | W | 96.2 | Very high | 92.8 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.015 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.2 | -34 | 173.7 | -80.3 | 115.8 | 0 | 0 | 0 | 112.1 | Q292 A298 V299 M300 Y403 L406 Q407 F497 S500 | Q292-W296 VanDerWaalsContact CD-CD1 3.45Å; Q292-W296 VanDerWaalsContact NE2-CD1 3.33Å; Q292-W296 PolarHBondContact O-N 3.17Å; W296-A298 PolarHBondContact O-N 2.98Å; W296-V299 HydrophobicContact CE3-CB 4.27Å; W296-V299 HydrophobicContact CE3-CG1 4.27Å; W296-V299 HydrophobicContact CZ3-CG1 4.21Å; W296-V299 PolarHBondContact O-N 3.14Å; W296-V299 VanDerWaalsContact O-N 3.15Å; W296-M300 HydrophobicContact CE3-CG 4.38Å; W296-M300 HydrophobicContact CE3-SD 3.89Å; W296-M300 HydrophobicContact CZ3-SD 4.2Å; W296-M300 WeakPolarHBondContact O-CB 3.37Å; W296-M300 VanDerWaalsContact O-CG 3.26Å; W296-M300 WeakPolarHBondContact O-CG 3.34Å; W296-M300 PolarHBondContact O-N 3.37Å; W296-Y403 AromaticContact CH2-CD2 3.97Å; W296-Y403 HydrophobicContact CH2-CD2 3.97Å; W296-Y403 AromaticContact CH2-CE2 3.87Å; W296-Y403 HydrophobicContact CH2-CE2 3.87Å; W296-Y403 AromaticContact CZ3-CD2 3.7Å; W296-Y403 HydrophobicContact CZ3-CD2 3.7Å; W296-Y403 AromaticContact CZ3-CE2 3.65Å; W296-Y403 HydrophobicContact CZ3-CE2 3.65Å; W296-L406 HydrophobicContact CD2-CB 4.33Å; W296-L406 HydrophobicContact CD2-CD1 3.73Å; W296-L406 HydrophobicContact CE3-CD1 3.99Å; W296-L406 HydrophobicContact CG-CD1 4.1Å; W296-L406 HydrophobicContact CH2-CB 4.1Å; W296-L406 HydrophobicContact CZ2-CB 3.51Å; W296-L406 HydrophobicContact CZ2-CD1 4.33Å; W296-L406 HydrophobicContact CZ3-CD1 4.38Å; W296-Q407 HydrophobicContact CH2-CG 3.9Å; W296-Q407 HydrophobicContact CZ2-CG 3.95Å; W296-F497 AromaticContact CD2-CD2 3.5Å; W296-F497 HydrophobicContact CD2-CD2 3.5Å; W296-F497 HydrophobicContact CD2-CE2 4.06Å; W296-F497 AromaticContact CE2-CD2 3.73Å; W296-F497 AromaticContact CE3-CD2 3.64Å; W296-F497 HydrophobicContact CE3-CD2 3.64Å; W296-F497 AromaticContact CE3-CE2 3.7Å; W296-F497 HydrophobicContact CE3-CE2 3.7Å; W296-F497 AromaticContact CG-CD2 3.93Å; W296-F497 HydrophobicContact CG-CD2 3.93Å; W296-F497 HydrophobicContact CH2-CD2 4.25Å; W296-F497 HydrophobicContact CH2-CE2 4.05Å; W296-F497 HydrophobicContact CZ2-CD2 4.12Å; W296-F497 HydrophobicContact CZ2-CE2 4.37Å; W296-F497 HydrophobicContact CZ3-CD2 4.02Å; W296-F497 AromaticContact CZ3-CE2 3.7Å; W296-F497 HydrophobicContact CZ3-CE2 3.7Å; W296-S500 VanDerWaalsContact CB-OG 3.23Å; W296-S500 WeakPolarHBondContact CB-OG 3.45Å |
| 297 | M | 94.8 | Very high | 92.8 | Very high | 15 Ų | 15 | 18.7 Ų | 18.7 | 7% | 0.074 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.3 | -39.7 | 174.2 | -81.7 | -180 | 68 | 0 | 0 | 111 | L293 C294 S295 S301 I503 P504 F507 F528 | L293-M297 HydrophobicContact CD1-CG 4.28Å; L293-M297 HydrophobicContact CD1-SD 4.28Å; L293-M297 HydrophobicContact CG-SD 4.12Å; L293-M297 VanDerWaalsContact O-CB 3.31Å; L293-M297 WeakPolarHBondContact O-CB 3.29Å; L293-M297 WeakPolarHBondContact O-CG 3.16Å; L293-M297 PolarHBondContact O-N 3Å; C294-M297 PolarHBondContact O-N 3Å; S295-M297 VanDerWaalsContact C-N 3.34Å; M297-S301 WeakPolarHBondContact O-CB 3.38Å; M297-S301 PolarHBondContact O-N 3.31Å; M297-S301 PolarHBondContact O-OG 3.33Å; M297-I503 HydrophobicContact CE-CB 4.36Å; M297-I503 HydrophobicContact CE-CG2 3.98Å; M297-I503 HydrophobicContact SD-CD1 4.28Å; M297-P504 HydrophobicContact CG-CG 4.5Å; M297-F507 HydrophobicContact CE-CE1 4.21Å; M297-F507 HydrophobicContact CE-CZ 4.28Å; M297-F528 HydrophobicContact CB-CD2 4.44Å; M297-F528 HydrophobicContact CB-CG 4.34Å; M297-F528 HydrophobicContact CE-CD1 4.1Å; M297-F528 HydrophobicContact CE-CD2 4.48Å; M297-F528 HydrophobicContact CE-CE1 3.68Å; M297-F528 HydrophobicContact CE-CE2 4.09Å; M297-F528 HydrophobicContact CE-CZ 3.68Å |
| 298 | A | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.9 | -52.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | C294 S295 W296 F302 F376 S525 F528 | C294-A298 PolarHBondContact O-N 3.13Å; S295-A298 WeakPolarHBondContact O-CB 3.37Å; S295-A298 PolarHBondContact O-N 3.28Å; W296-A298 PolarHBondContact O-N 2.98Å; A298-F302 PolarHBondContact O-N 3.45Å; A298-F302 VanDerWaalsContact O-N 3.12Å; A298-F376 HydrophobicContact CB-CD1 4.2Å; A298-F376 HydrophobicContact CB-CE1 3.6Å; A298-F376 HydrophobicContact CB-CZ 4.32Å; A298-F376 WeakPolarHBondContact O-CZ 3.37Å; A298-S525 WeakPolarHBondContact CB-O 3.44Å; A298-S525 PolarHBondContact O-OG 3.41Å; A298-F528 HydrophobicContact CB-CB 3.74Å |
| 299 | V | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.6 | -41.6 | -176.2 | 178 | 0 | 0 | 0 | 0 | 112.6 | S295 W296 F302 M303 F376 Y403 L406 | S295-V299 WeakPolarHBondContact O-CG2 3.26Å; S295-V299 PolarHBondContact O-N 3.42Å; S295-V299 VanDerWaalsContact O-N 3.15Å; W296-V299 HydrophobicContact CE3-CB 4.27Å; W296-V299 HydrophobicContact CE3-CG1 4.27Å; W296-V299 HydrophobicContact CZ3-CG1 4.21Å; W296-V299 PolarHBondContact O-N 3.14Å; W296-V299 VanDerWaalsContact O-N 3.15Å; V299-F302 WeakPolarHBondContact O-CB 3.24Å; V299-F302 PolarHBondContact O-N 2.94Å; V299-M303 HydrophobicContact CG1-CE 3.65Å; V299-M303 HydrophobicContact CG1-SD 4.1Å; V299-M303 WeakPolarHBondContact O-CG 3.41Å; V299-M303 PolarHBondContact O-N 3.36Å; V299-F376 HydrophobicContact CB-CE2 4.28Å; V299-F376 HydrophobicContact CB-CZ 4.43Å; V299-F376 HydrophobicContact CG2-CD2 3.91Å; V299-F376 HydrophobicContact CG2-CE1 4.46Å; V299-F376 HydrophobicContact CG2-CE2 3.69Å; V299-F376 HydrophobicContact CG2-CG 4.39Å; V299-F376 HydrophobicContact CG2-CZ 4Å; V299-Y403 HydrophobicContact CG1-CD2 3.94Å; V299-L406 HydrophobicContact CB-CD1 4.42Å; V299-L406 HydrophobicContact CG2-CD1 3.81Å |
| 300 | M | 91.4 | Very high | 92.6 | Very high | 16 Ų | 16 | 17.2 Ų | 17.2 | 8% | 0.079 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -69.6 | -40.2 | 176.9 | -62.1 | -41 | -103 | 0 | 0 | 111.7 | W296 F302 M303 L304 F497 S500 Q501 | W296-M300 HydrophobicContact CE3-CG 4.38Å; W296-M300 HydrophobicContact CE3-SD 3.89Å; W296-M300 HydrophobicContact CZ3-SD 4.2Å; W296-M300 WeakPolarHBondContact O-CB 3.37Å; W296-M300 VanDerWaalsContact O-CG 3.26Å; W296-M300 WeakPolarHBondContact O-CG 3.34Å; W296-M300 PolarHBondContact O-N 3.37Å; M300-F302 PolarHBondContact O-N 3.45Å; M300-M303 HydrophobicContact CE-CE 4.1Å; M300-M303 PolarHBondContact O-N 3.32Å; M300-M303 HydrophobicContact SD-CE 3.08Å; M300-M303 WeakPolarHBondContact SD-CE 3.23Å; M300-L304 VanDerWaalsContact O-CB 3.32Å; M300-L304 WeakPolarHBondContact O-CB 3.41Å; M300-L304 VanDerWaalsContact O-CG 3.28Å; M300-L304 WeakPolarHBondContact O-CG 3.27Å; M300-L304 PolarHBondContact O-N 3.32Å; M300-F497 HydrophobicContact CE-CD2 4.29Å; M300-F497 HydrophobicContact CE-CE2 3.33Å; M300-F497 HydrophobicContact CE-CZ 3.47Å; M300-F497 VanDerWaalsContact CE-CZ 3.47Å; M300-F497 HydrophobicContact CG-CE2 4.5Å; M300-F497 HydrophobicContact SD-CD2 4.41Å; M300-F497 HydrophobicContact SD-CE2 3.67Å; M300-F497 HydrophobicContact SD-CZ 4.39Å; M300-S500 VanDerWaalsContact CG-OG 3.25Å; M300-S500 WeakPolarHBondContact CG-OG 3.49Å; M300-Q501 HydrophobicContact CE-CG 3.34Å; M300-Q501 VanDerWaalsContact CE-NE2 3.3Å; M300-Q501 HydrophobicContact CG-CG 4.06Å |
| 301 | S | 91.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.5 | -37.6 | 173.1 | -66 | 0 | 0 | 0 | 0 | 111.8 | M297 F305 P504 M508 | M297-S301 WeakPolarHBondContact O-CB 3.38Å; M297-S301 PolarHBondContact O-N 3.31Å; M297-S301 PolarHBondContact O-OG 3.33Å; S301-F305 WeakPolarHBondContact O-CD2 3.18Å; S301-P504 WeakPolarHBondContact OG-CG 3.37Å; S301-M508 VanDerWaalsContact CB-CE 3.49Å; S301-M508 WeakPolarHBondContact OG-CE 3.48Å |
| 302 | F | 92.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.6 | -57.4 | 172.6 | 175.4 | -102.5 | 0 | 0 | 0 | 110.8 | A298 V299 M300 L304 F305 Y306 F376 I383 T396 T399 I522 | A298-F302 PolarHBondContact O-N 3.45Å; A298-F302 VanDerWaalsContact O-N 3.12Å; V299-F302 WeakPolarHBondContact O-CB 3.24Å; V299-F302 PolarHBondContact O-N 2.94Å; M300-F302 PolarHBondContact O-N 3.45Å; F302-L304 VanDerWaalsContact C-N 3.35Å; F302-L304 PolarHBondContact O-N 3.43Å; F302-F305 PolarHBondContact O-N 3.2Å; F302-Y306 HydrophobicContact CD2-CD2 4.37Å; F302-Y306 HydrophobicContact CE1-CG 4.34Å; F302-Y306 AromaticContact CE2-CD2 3.42Å; F302-Y306 HydrophobicContact CE2-CD2 3.42Å; F302-Y306 VanDerWaalsContact CE2-CD2 3.42Å; F302-Y306 HydrophobicContact CE2-CE2 4.08Å; F302-Y306 AromaticContact CE2-CG 3.9Å; F302-Y306 HydrophobicContact CE2-CG 3.9Å; F302-Y306 HydrophobicContact CZ-CD1 4.33Å; F302-Y306 AromaticContact CZ-CD2 3.51Å; F302-Y306 HydrophobicContact CZ-CD2 3.51Å; F302-Y306 AromaticContact CZ-CE2 3.93Å; F302-Y306 HydrophobicContact CZ-CE2 3.93Å; F302-Y306 AromaticContact CZ-CG 3.73Å; F302-Y306 HydrophobicContact CZ-CG 3.73Å; F302-Y306 WeakPolarHBondContact O-CA 3.39Å; F302-Y306 WeakPolarHBondContact O-CB 3.29Å; F302-Y306 PolarHBondContact O-N 3.31Å; F302-F376 HydrophobicContact CB-CE2 4.3Å; F302-F376 HydrophobicContact CB-CZ 3.85Å; F302-F376 HydrophobicContact CD1-CE2 4.46Å; F302-F376 HydrophobicContact CG-CE2 4.42Å; F302-F376 HydrophobicContact CG-CZ 4.34Å; F302-I383 HydrophobicContact CE2-CD1 3.53Å; F302-I383 HydrophobicContact CZ-CD1 3.88Å; F302-T396 HydrophobicContact CE1-CG2 3.96Å; F302-T396 HydrophobicContact CZ-CG2 3.65Å; F302-T399 HydrophobicContact CE1-CG2 4.17Å; F302-T399 HydrophobicContact CZ-CG2 4.35Å; F302-I522 HydrophobicContact CD2-CD1 3.85Å; F302-I522 HydrophobicContact CE2-CD1 4.13Å |
| 303 | M | 88.9 | Confident | 91.8 | Very high | 41 Ų | 41 | 21.2 Ų | 21.2 | 20% | 0.202 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.4 | -36.5 | -173.6 | -70.2 | -177.7 | -52.9 | 0 | 0 | 113.9 | V299 M300 L342 Q345 Y403 | V299-M303 HydrophobicContact CG1-CE 3.65Å; V299-M303 HydrophobicContact CG1-SD 4.1Å; V299-M303 WeakPolarHBondContact O-CG 3.41Å; V299-M303 PolarHBondContact O-N 3.36Å; M300-M303 HydrophobicContact CE-CE 4.1Å; M300-M303 PolarHBondContact O-N 3.32Å; M300-M303 HydrophobicContact SD-CE 3.08Å; M300-M303 WeakPolarHBondContact SD-CE 3.23Å; M303-L342 HydrophobicContact CG-CD2 4.44Å; M303-Q345 PolarHBondContact SD-NE2 2.9Å; M303-Q345 VanDerWaalsContact SD-NE2 3.44Å; M303-Y403 HydrophobicContact CE-CD2 4.07Å; M303-Y403 HydrophobicContact CE-CE2 3.81Å; M303-Y403 HydrophobicContact SD-CD2 3.86Å; M303-Y403 HydrophobicContact SD-CE2 3.78Å |
| 304 | L | 86.6 | Confident | 91.6 | Very high | 72 Ų | 72 | 21.2 Ų | 21.2 | 38% | 0.377 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -71.2 | -33.8 | -177.8 | -71.8 | 172.8 | 0 | 0 | 0 | 113.5 | M300 F302 T505 | M300-L304 VanDerWaalsContact O-CB 3.32Å; M300-L304 WeakPolarHBondContact O-CB 3.41Å; M300-L304 VanDerWaalsContact O-CG 3.28Å; M300-L304 WeakPolarHBondContact O-CG 3.27Å; M300-L304 PolarHBondContact O-N 3.32Å; F302-L304 VanDerWaalsContact C-N 3.35Å; F302-L304 PolarHBondContact O-N 3.43Å; L304-T505 HydrophobicContact CD1-CG2 3.75Å |
| 305 | F | 88.4 | Confident | 91.4 | Very high | 29 Ų | 29 | 23.4 Ų | 23.4 | 13% | 0.127 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -117.5 | -1.2 | -171.3 | -59.8 | -68.7 | 0 | 0 | 0 | 113.7 | S301 F302 D308 F309 P504 M508 Y521 | S301-F305 WeakPolarHBondContact O-CD2 3.18Å; F302-F305 PolarHBondContact O-N 3.2Å; F305-D308 PolarHBondContact O-N 2.98Å; F305-F309 WeakPolarHBondContact O-CB 3.21Å; F305-F309 PolarHBondContact O-N 3.45Å; F305-P504 HydrophobicContact CE2-CB 4.49Å; F305-M508 HydrophobicContact CD2-CB 4.31Å; F305-M508 HydrophobicContact CD2-CG 4.26Å; F305-M508 HydrophobicContact CE2-CB 3.59Å; F305-M508 HydrophobicContact CE2-CG 3.66Å; F305-M508 HydrophobicContact CZ-CB 3.74Å; F305-M508 HydrophobicContact CZ-CG 4.29Å; F305-Y521 HydrophobicContact CB-CD1 3.75Å; F305-Y521 HydrophobicContact CB-CD2 3.87Å; F305-Y521 HydrophobicContact CB-CE1 4.26Å; F305-Y521 HydrophobicContact CB-CE2 4.37Å; F305-Y521 HydrophobicContact CB-CG 3.55Å; F305-Y521 AromaticContact CD1-CD1 3.9Å; F305-Y521 HydrophobicContact CD1-CD1 3.9Å; F305-Y521 AromaticContact CD1-CE1 3.56Å; F305-Y521 HydrophobicContact CD1-CE1 3.56Å; F305-Y521 HydrophobicContact CD1-CE2 4.3Å; F305-Y521 HydrophobicContact CD1-CG 4.4Å; F305-Y521 AromaticContact CD1-CZ 3.8Å; F305-Y521 AromaticContact CD2-CD1 3.78Å; F305-Y521 HydrophobicContact CD2-CD1 3.78Å; F305-Y521 HydrophobicContact CD2-CE1 4.14Å; F305-Y521 HydrophobicContact CD2-CG 4.41Å; F305-Y521 HydrophobicContact CE1-CD1 4.45Å; F305-Y521 AromaticContact CE1-CE1 3.86Å; F305-Y521 HydrophobicContact CE1-CE1 3.86Å; F305-Y521 HydrophobicContact CE2-CD1 4.37Å; F305-Y521 HydrophobicContact CE2-CE1 4.42Å; F305-Y521 AromaticContact CG-CD1 3.52Å; F305-Y521 HydrophobicContact CG-CD1 3.52Å; F305-Y521 HydrophobicContact CG-CD2 4.37Å; F305-Y521 AromaticContact CG-CE1 3.72Å; F305-Y521 HydrophobicContact CG-CE1 3.72Å; F305-Y521 AromaticContact CG-CG 3.89Å; F305-Y521 HydrophobicContact CG-CG 3.89Å; F305-Y521 HydrophobicContact CZ-CE1 4.28Å |
| 306 | Y | 91.1 | Very high | 91 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.5 | -43.2 | -177.9 | 166.5 | -107.9 | 0 | 0 | 0 | 112.7 | F302 D308 F309 V310 G338 L342 V392 T396 I522 | F302-Y306 HydrophobicContact CD2-CD2 4.37Å; F302-Y306 HydrophobicContact CE1-CG 4.34Å; F302-Y306 AromaticContact CE2-CD2 3.42Å; F302-Y306 HydrophobicContact CE2-CD2 3.42Å; F302-Y306 VanDerWaalsContact CE2-CD2 3.42Å; F302-Y306 HydrophobicContact CE2-CE2 4.08Å; F302-Y306 AromaticContact CE2-CG 3.9Å; F302-Y306 HydrophobicContact CE2-CG 3.9Å; F302-Y306 HydrophobicContact CZ-CD1 4.33Å; F302-Y306 AromaticContact CZ-CD2 3.51Å; F302-Y306 HydrophobicContact CZ-CD2 3.51Å; F302-Y306 AromaticContact CZ-CE2 3.93Å; F302-Y306 HydrophobicContact CZ-CE2 3.93Å; F302-Y306 AromaticContact CZ-CG 3.73Å; F302-Y306 HydrophobicContact CZ-CG 3.73Å; F302-Y306 WeakPolarHBondContact O-CA 3.39Å; F302-Y306 WeakPolarHBondContact O-CB 3.29Å; F302-Y306 PolarHBondContact O-N 3.31Å; Y306-D308 VanDerWaalsContact C-N 3.31Å; Y306-D308 PolarHBondContact O-N 3.35Å; Y306-F309 HydrophobicContact CD2-CD1 4.45Å; Y306-F309 WeakPolarHBondContact O-CB 3.35Å; Y306-F309 PolarHBondContact O-N 3.15Å; Y306-V310 HydrophobicContact CD2-CG2 4.02Å; Y306-V310 HydrophobicContact CE1-CG2 4.13Å; Y306-V310 HydrophobicContact CE2-CG2 3.48Å; Y306-V310 VanDerWaalsContact CE2-CG2 3.48Å; Y306-V310 WeakPolarHBondContact O-CG2 3.17Å; Y306-V310 PolarHBondContact O-N 3Å; Y306-G338 VanDerWaalsContact CE1-O 3.29Å; Y306-G338 WeakPolarHBondContact CE1-O 3.49Å; Y306-L342 HydrophobicContact CD1-CD2 3.87Å; Y306-L342 HydrophobicContact CD1-CG 3.94Å; Y306-L342 HydrophobicContact CE1-CD2 4.44Å; Y306-L342 HydrophobicContact CE1-CG 4.28Å; Y306-V392 HydrophobicContact CE2-CG1 3.84Å; Y306-T396 HydrophobicContact CD1-CG2 4.48Å; Y306-T396 HydrophobicContact CE1-CG2 3.82Å; Y306-T396 HydrophobicContact CE2-CG2 4.26Å; Y306-T396 WeakPolarHBondContact CE2-OG1 3.3Å; Y306-T396 PolarHBondContact OH-OG1 3.14Å; Y306-I522 HydrophobicContact CD2-CD1 4.48Å |
| 307 | T | 89.4 | Confident | 90.7 | Very high | 29 Ų | 29 | 25.5 Ų | 25.5 | 18% | 0.178 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.8 | -38.5 | 179.4 | 46.3 | 0 | 0 | 0 | 0 | 111.7 | V310 G311 L342 | T307-V310 PolarHBondContact O-N 3.43Å; T307-G311 PolarHBondContact O-N 3.1Å; T307-L342 HydrophobicContact CG2-CD1 3.77Å |
| 308 | D | 88.3 | Confident | 90.3 | Very high | 50 Ų | 50 | 28.1 Ų | 28.1 | 27% | 0.267 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -67.6 | -40.9 | 174.4 | -68.2 | -36.4 | 0 | 0 | 0 | 111.6 | F305 Y306 V310 G311 E312 Y331 | F305-D308 PolarHBondContact O-N 2.98Å; Y306-D308 VanDerWaalsContact C-N 3.31Å; Y306-D308 PolarHBondContact O-N 3.35Å; D308-V310 VanDerWaalsContact C-N 3.33Å; D308-V310 PolarHBondContact O-N 2.56Å; D308-G311 PolarHBondContact O-N 2.87Å; D308-E312 WeakPolarHBondContact O-CB 3.36Å; D308-E312 PolarHBondContact O-N 3.28Å; D308-Y331 PolarHBondContact OD1-OH 2.8Å |
| 309 | F | 91.9 | Very high | 89.6 | Confident | 7 Ų | 7 | 30.3 Ų | 30.3 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -59 | -42.3 | 172.8 | 166.4 | -98.1 | 0 | 0 | 0 | 112.3 | F305 Y306 G313 L314 I383 V518 T519 I522 | F305-F309 WeakPolarHBondContact O-CB 3.21Å; F305-F309 PolarHBondContact O-N 3.45Å; Y306-F309 HydrophobicContact CD2-CD1 4.45Å; Y306-F309 WeakPolarHBondContact O-CB 3.35Å; Y306-F309 PolarHBondContact O-N 3.15Å; F309-G313 CarbonylContact O-C 3.45Å; F309-G313 WeakPolarHBondContact O-CA 3.44Å; F309-G313 PolarHBondContact O-N 2.83Å; F309-L314 PolarHBondContact O-N 3.42Å; F309-L314 VanDerWaalsContact O-N 3.15Å; F309-I383 HydrophobicContact CD1-CG2 4.24Å; F309-I383 HydrophobicContact CE1-CG2 3.55Å; F309-I383 HydrophobicContact CZ-CG2 4.17Å; F309-V518 HydrophobicContact CD2-CG2 4.3Å; F309-T519 HydrophobicContact CE2-CG2 3.83Å; F309-I522 HydrophobicContact CB-CD1 4.2Å; F309-I522 HydrophobicContact CB-CG1 4.1Å; F309-I522 HydrophobicContact CD1-CD1 4.17Å; F309-I522 HydrophobicContact CD1-CG1 3.82Å; F309-I522 HydrophobicContact CD2-CG1 3.8Å; F309-I522 HydrophobicContact CE1-CG1 4.21Å; F309-I522 HydrophobicContact CE2-CG1 4.19Å; F309-I522 HydrophobicContact CG-CD1 4.1Å; F309-I522 HydrophobicContact CG-CG1 3.6Å; F309-I522 HydrophobicContact CZ-CG1 4.38Å |
| 310 | V | 92.3 | Very high | 89 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -68.9 | -44.6 | 177.1 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | Y306 T307 D308 L314 Y315 G334 V337 V392 | Y306-V310 HydrophobicContact CD2-CG2 4.02Å; Y306-V310 HydrophobicContact CE1-CG2 4.13Å; Y306-V310 HydrophobicContact CE2-CG2 3.48Å; Y306-V310 VanDerWaalsContact CE2-CG2 3.48Å; Y306-V310 WeakPolarHBondContact O-CG2 3.17Å; Y306-V310 PolarHBondContact O-N 3Å; T307-V310 PolarHBondContact O-N 3.43Å; D308-V310 VanDerWaalsContact C-N 3.33Å; D308-V310 PolarHBondContact O-N 2.56Å; V310-L314 HydrophobicContact CG1-CD2 4.2Å; V310-L314 WeakPolarHBondContact O-CB 3.25Å; V310-L314 PolarHBondContact O-N 2.92Å; V310-Y315 HydrophobicContact CG1-CD2 4.02Å; V310-Y315 HydrophobicContact CG1-CE2 4.11Å; V310-Y315 WeakPolarHBondContact O-CD2 3.4Å; V310-Y315 PolarHBondContact O-N 2.78Å; V310-G334 WeakPolarHBondContact CG1-O 3.39Å; V310-V337 HydrophobicContact CG1-CB 4.48Å; V310-V337 HydrophobicContact CG1-CG1 4.49Å; V310-V392 HydrophobicContact CG2-CG1 4.27Å |
| 311 | G | 89.1 | Confident | 88.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -61.9 | -53.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | T307 D308 Y315 G317 | T307-G311 PolarHBondContact O-N 3.1Å; D308-G311 PolarHBondContact O-N 2.87Å; G311-Y315 WeakPolarHBondContact O-CB 3.11Å; G311-G317 WeakPolarHBondContact O-CA 3.43Å; G311-G317 PolarHBondContact O-N 3.32Å |
| 312 | E | 89.9 | Confident | 88.1 | Confident | 86 Ų | 86 | 39.3 Ų | 39.3 | 40% | 0.402 | 25% | 0.248 | S | C | . | . | I | π-helix | trans | -87.7 | -49.5 | -175.7 | -176.2 | 177.3 | 156.4 | 0 | 0 | 112 | D308 G316 G317 V518 | D308-E312 WeakPolarHBondContact O-CB 3.36Å; D308-E312 PolarHBondContact O-N 3.28Å; E312-G316 WeakPolarHBondContact O-CA 3.37Å; E312-G316 PolarHBondContact O-N 2.84Å; E312-G316 VanDerWaalsContact O-N 3.12Å; E312-G317 WeakPolarHBondContact CA-O 3.37Å; E312-V518 HydrophobicContact CB-CG1 4.21Å; E312-V518 HydrophobicContact CB-CG2 4.24Å; E312-V518 HydrophobicContact CG-CG1 4.04Å; E312-V518 HydrophobicContact CG-CG2 4.26Å; E312-V518 WeakPolarHBondContact OE1-CG1 3.28Å; E312-V518 WeakPolarHBondContact OE2-CG1 3.41Å |
| 313 | G | 87.5 | Confident | 87.5 | Confident | 40 Ų | 40 | 45.4 Ų | 45.4 | 41% | 0.412 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -77.1 | -41 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F309 V518 | F309-G313 CarbonylContact O-C 3.45Å; F309-G313 WeakPolarHBondContact O-CA 3.44Å; F309-G313 PolarHBondContact O-N 2.83Å; G313-V518 VanDerWaalsContact CA-CG2 3.45Å |
| 314 | L | 90.8 | Very high | 87.1 | Confident | 36 Ų | 36 | 46.3 Ų | 46.3 | 19% | 0.188 | 31% | 0.307 | C | S | . | . | I | π-helix | trans | -92.7 | -42.6 | -176 | -170.3 | 65.5 | 0 | 0 | 0 | 112.7 | F309 V310 G387 V389 V392 | F309-L314 PolarHBondContact O-N 3.42Å; F309-L314 VanDerWaalsContact O-N 3.15Å; V310-L314 HydrophobicContact CG1-CD2 4.2Å; V310-L314 WeakPolarHBondContact O-CB 3.25Å; V310-L314 PolarHBondContact O-N 2.92Å; L314-G387 WeakPolarHBondContact CD1-O 3.42Å; L314-V389 HydrophobicContact CD2-CB 4.24Å; L314-V389 HydrophobicContact CD2-CG2 3.74Å; L314-V389 HydrophobicContact CG-CG2 4.12Å; L314-V392 HydrophobicContact CD1-CG2 4.42Å; L314-V392 HydrophobicContact CD2-CB 4.26Å; L314-V392 HydrophobicContact CD2-CG1 4.38Å; L314-V392 HydrophobicContact CD2-CG2 4.04Å |
| 315 | Y | 90.4 | Very high | 87.2 | Confident | 67 Ų | 67 | 44.6 Ų | 44.6 | 26% | 0.263 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -8.7 | -178.9 | -83.3 | -103.5 | 0 | 0 | 0 | 113.9 | V310 G311 G317 E333 V337 V389 | V310-Y315 HydrophobicContact CG1-CD2 4.02Å; V310-Y315 HydrophobicContact CG1-CE2 4.11Å; V310-Y315 WeakPolarHBondContact O-CD2 3.4Å; V310-Y315 PolarHBondContact O-N 2.78Å; G311-Y315 WeakPolarHBondContact O-CB 3.11Å; Y315-G317 PolarHBondContact O-N 3.22Å; Y315-E333 HydrophobicContact CE1-CG 4.12Å; Y315-V337 HydrophobicContact CE2-CB 4.34Å; Y315-V337 HydrophobicContact CE2-CG1 4.43Å; Y315-V337 WeakPolarHBondContact OH-CG2 3.47Å; Y315-V389 HydrophobicContact CE2-CG1 4.32Å; Y315-V389 HydrophobicContact CE2-CG2 3.82Å |
| 316 | G | 89.4 | Confident | 87.3 | Confident | 47 Ų | 47 | 47.4 Ų | 47.4 | 49% | 0.485 | 32% | 0.321 | S | S | . | . | trans | 64.9 | 26.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E312 | E312-G316 WeakPolarHBondContact O-CA 3.37Å; E312-G316 PolarHBondContact O-N 2.84Å; E312-G316 VanDerWaalsContact O-N 3.12Å | ||
| 317 | G | 88.3 | Confident | 87.1 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | trans | -77.5 | 155.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G311 E312 Y315 A327 | G311-G317 WeakPolarHBondContact O-CA 3.43Å; G311-G317 PolarHBondContact O-N 3.32Å; E312-G317 WeakPolarHBondContact CA-O 3.37Å; Y315-G317 PolarHBondContact O-N 3.22Å; G317-A327 WeakPolarHBondContact CA-O 3.41Å | ||
| 318 | V | 87.4 | Confident | 87.1 | Confident | 70 Ų | 70 | 50.8 Ų | 50.8 | 42% | 0.424 | 34% | 0.337 | S | S | . | . | trans | -117.4 | 117.8 | 175.8 | 178.1 | 0 | 0 | 0 | 0 | 108.7 | S320 A321 A327 | V318-S320 VanDerWaalsContact C-N 3.32Å; V318-S320 PolarHBondContact O-N 3.42Å; V318-A321 HydrophobicContact CB-CB 4.08Å; V318-A321 HydrophobicContact CG1-CB 4.27Å; V318-A321 WeakPolarHBondContact O-CB 3.41Å; V318-A321 PolarHBondContact O-N 3.12Å; V318-A327 HydrophobicContact CB-CB 4.31Å; V318-A327 HydrophobicContact CG2-CB 4.42Å; V318-A327 PolarHBondContact N-O 3.41Å | ||
| 319 | P | 81.1 | Confident | 87.1 | Confident | 45 Ų | 45 | 53.7 Ų | 53.7 | 29% | 0.292 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -38.3 | -178 | 21.6 | -30.7 | 0 | 0 | 0 | 111.8 | A321 R328 Y331 | P319-A321 VanDerWaalsContact C-N 3.25Å; P319-A321 PolarHBondContact O-N 3.34Å; P319-R328 PolarHBondContact O-NH1 3.17Å; P319-Y331 HydrophobicContact CB-CD1 4.4Å; P319-Y331 HydrophobicContact CB-CD2 4.39Å; P319-Y331 HydrophobicContact CB-CE1 3.96Å; P319-Y331 HydrophobicContact CB-CE2 4.02Å; P319-Y331 HydrophobicContact CG-CE2 4.49Å |
| 320 | S | 81.3 | Confident | 87 | Confident | 116 Ų | 116 | 59.7 Ų | 59.7 | 81% | 0.811 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 5.8 | -178.8 | -46 | 0 | 0 | 0 | 0 | 115 | V318 | V318-S320 VanDerWaalsContact C-N 3.32Å; V318-S320 PolarHBondContact O-N 3.42Å |
| 321 | A | 82.5 | Confident | 86.8 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -74.7 | 147.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V318 P319 S325 A327 R328 | V318-A321 HydrophobicContact CB-CB 4.08Å; V318-A321 HydrophobicContact CG1-CB 4.27Å; V318-A321 WeakPolarHBondContact O-CB 3.41Å; V318-A321 PolarHBondContact O-N 3.12Å; P319-A321 VanDerWaalsContact C-N 3.25Å; P319-A321 PolarHBondContact O-N 3.34Å; A321-S325 WeakPolarHBondContact CB-OG 3.27Å; A321-A327 HydrophobicContact CB-CB 3.92Å; A321-R328 HydrophobicContact CB-CB 4.05Å |
| 322 | A | 82.8 | Confident | 86.6 | Confident | 67 Ų | 67 | 63.7 Ų | 63.7 | 55% | 0.554 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 143.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G324 S325 | A322-G324 PolarHBondContact O-N 2.96Å; A322-S325 VanDerWaalsContact O-CB 3.25Å; A322-S325 WeakPolarHBondContact O-CB 3.45Å; A322-S325 PolarHBondContact O-N 3.25Å; A322-S325 PolarHBondContact O-OG 3.27Å |
| 323 | P | 79.6 | Confident | 86.5 | Confident | 129 Ų | 129 | 63.7 Ų | 63.7 | 84% | 0.838 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 132.5 | 176.9 | -25.2 | 33.8 | 0 | 0 | 0 | 111.7 | S325 | P323-S325 VanDerWaalsContact C-N 3.32Å; P323-S325 PolarHBondContact O-N 3.32Å |
| 324 | G | 80.1 | Confident | 86.6 | Confident | 59 Ų | 59 | 61.8 Ų | 61.8 | 61% | 0.608 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84 | -5.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | A322 Q329 | A322-G324 PolarHBondContact O-N 2.96Å; G324-Q329 PolarHBondContact O-NE2 3.32Å |
| 325 | S | 89.5 | Confident | 86.5 | Confident | 37 Ų | 37 | 62.3 Ų | 62.3 | 26% | 0.259 | 37% | 0.374 | S | S | . | . | trans | -70 | 151.9 | 171 | 68.1 | 0 | 0 | 0 | 0 | 112 | A321 A322 P323 A327 R328 Q329 | A321-S325 WeakPolarHBondContact CB-OG 3.27Å; A322-S325 VanDerWaalsContact O-CB 3.25Å; A322-S325 WeakPolarHBondContact O-CB 3.45Å; A322-S325 PolarHBondContact O-N 3.25Å; A322-S325 PolarHBondContact O-OG 3.27Å; P323-S325 VanDerWaalsContact C-N 3.32Å; P323-S325 PolarHBondContact O-N 3.32Å; S325-A327 PolarHBondContact O-N 3.27Å; S325-R328 PolarHBondContact O-N 3.31Å; S325-R328 VanDerWaalsContact O-N 3.12Å; S325-R328 WeakPolarHBondContact OG-CB 3.11Å; S325-R328 PolarHBondContact OG-N 2.92Å; S325-Q329 WeakPolarHBondContact O-CG 3.49Å; S325-Q329 PolarHBondContact O-N 3.22Å | ||
| 326 | V | 90.4 | Very high | 86.2 | Confident | 87 Ų | 87 | 67.2 Ų | 67.2 | 53% | 0.527 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.1 | -35.9 | 178.1 | 179.9 | 0 | 0 | 0 | 0 | 111.6 | R330 | V326-R330 WeakPolarHBondContact O-CG 3.41Å; V326-R330 PolarHBondContact O-N 3.22Å; V326-R330 VanDerWaalsContact O-N 3.07Å |
| 327 | A | 87.8 | Confident | 86.2 | Confident | 31 Ų | 31 | 66 Ų | 66 | 26% | 0.256 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.3 | -39.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G317 V318 A321 S325 Y331 | G317-A327 WeakPolarHBondContact CA-O 3.41Å; V318-A327 HydrophobicContact CB-CB 4.31Å; V318-A327 HydrophobicContact CG2-CB 4.42Å; V318-A327 PolarHBondContact N-O 3.41Å; A321-A327 HydrophobicContact CB-CB 3.92Å; S325-A327 PolarHBondContact O-N 3.27Å; A327-Y331 PolarHBondContact O-N 2.98Å |
| 328 | R | 88 | Confident | 86.2 | Confident | 69 Ų | 69 | 66 Ų | 66 | 26% | 0.26 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.7 | -41.2 | 175.3 | -174.2 | 66.7 | -155.4 | -163.7 | 1.1 | 111.6 | P319 A321 S325 R330 Y331 D332 | P319-R328 PolarHBondContact O-NH1 3.17Å; A321-R328 HydrophobicContact CB-CB 4.05Å; S325-R328 PolarHBondContact O-N 3.31Å; S325-R328 VanDerWaalsContact O-N 3.12Å; S325-R328 WeakPolarHBondContact OG-CB 3.11Å; S325-R328 PolarHBondContact OG-N 2.92Å; R328-R330 VanDerWaalsContact C-N 3.32Å; R328-R330 PolarHBondContact O-N 3.14Å; R328-Y331 WeakPolarHBondContact O-CB 3.35Å; R328-Y331 PolarHBondContact O-N 2.91Å; R328-Y331 VanDerWaalsContact O-N 3.11Å; R328-D332 IonicContact CZ-OD1 3.35Å; R328-D332 IonicContact NE-OD1 3.94Å; R328-D332 PolarHBondContact NE-OD1 3.09Å; R328-D332 IonicContact NE-OD2 3.08Å; R328-D332 IonicContact NH2-OD1 3.71Å; R328-D332 PolarHBondContact NH2-OD1 3.47Å; R328-D332 VanDerWaalsContact O-CG 3.32Å; R328-D332 PolarHBondContact O-N 3.25Å |
| 329 | Q | 88.6 | Confident | 86.1 | Confident | 111 Ų | 111 | 65.4 Ų | 65.4 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.5 | -40.4 | 175.8 | -72.5 | 175.4 | -5.3 | 0 | 0 | 112.6 | G324 S325 Y331 D332 E333 | G324-Q329 PolarHBondContact O-NE2 3.32Å; S325-Q329 WeakPolarHBondContact O-CG 3.49Å; S325-Q329 PolarHBondContact O-N 3.22Å; Q329-Y331 VanDerWaalsContact C-N 3.34Å; Q329-D332 PolarHBondContact O-N 3.4Å; Q329-E333 WeakPolarHBondContact O-CB 3.49Å; Q329-E333 PolarHBondContact O-N 3.14Å |
| 330 | R | 90 | Very high | 86.4 | Confident | 134 Ų | 134 | 67.5 Ų | 67.5 | 51% | 0.506 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 174.3 | -73.8 | -178 | -167.6 | 144.4 | 2 | 112.5 | V326 R328 G334 | V326-R330 WeakPolarHBondContact O-CG 3.41Å; V326-R330 PolarHBondContact O-N 3.22Å; V326-R330 VanDerWaalsContact O-N 3.07Å; R328-R330 VanDerWaalsContact C-N 3.32Å; R328-R330 PolarHBondContact O-N 3.14Å; R330-G334 PolarHBondContact O-N 3.32Å |
| 331 | Y | 89.4 | Confident | 86.8 | Confident | 23 Ų | 23 | 62 Ų | 62 | 9% | 0.09 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.1 | -48.1 | 175.9 | 179.2 | -106.3 | 0 | 0 | 0 | 111 | D308 P319 A327 R328 Q329 E333 G334 I335 | D308-Y331 PolarHBondContact OD1-OH 2.8Å; P319-Y331 HydrophobicContact CB-CD1 4.4Å; P319-Y331 HydrophobicContact CB-CD2 4.39Å; P319-Y331 HydrophobicContact CB-CE1 3.96Å; P319-Y331 HydrophobicContact CB-CE2 4.02Å; P319-Y331 HydrophobicContact CG-CE2 4.49Å; A327-Y331 PolarHBondContact O-N 2.98Å; R328-Y331 WeakPolarHBondContact O-CB 3.35Å; R328-Y331 PolarHBondContact O-N 2.91Å; R328-Y331 VanDerWaalsContact O-N 3.11Å; Q329-Y331 VanDerWaalsContact C-N 3.34Å; Y331-E333 VanDerWaalsContact C-N 3.33Å; Y331-E333 PolarHBondContact O-N 3.02Å; Y331-G334 CarbonylContact O-C 3.59Å; Y331-G334 PolarHBondContact O-N 3.48Å; Y331-G334 VanDerWaalsContact O-N 3.16Å; Y331-I335 HydrophobicContact CD1-CD1 3.59Å; Y331-I335 HydrophobicContact CD1-CG1 4.4Å; Y331-I335 HydrophobicContact CE1-CD1 3.1Å; Y331-I335 HydrophobicContact CE1-CG1 4.08Å; Y331-I335 HydrophobicContact CE2-CD1 4.24Å; Y331-I335 HydrophobicContact CE2-CG1 4.4Å; Y331-I335 HydrophobicContact CG-CD1 4.35Å; Y331-I335 VanDerWaalsContact CZ-CD1 3.45Å; Y331-I335 WeakPolarHBondContact O-CG1 3.36Å; Y331-I335 PolarHBondContact O-N 3.35Å |
| 332 | D | 84.1 | Confident | 87 | Confident | 60 Ų | 60 | 62.8 Ų | 62.8 | 32% | 0.321 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 179.3 | -61.2 | -29.1 | 0 | 0 | 0 | 111.6 | R328 Q329 I335 R336 | R328-D332 IonicContact CZ-OD1 3.35Å; R328-D332 IonicContact NE-OD1 3.94Å; R328-D332 PolarHBondContact NE-OD1 3.09Å; R328-D332 IonicContact NE-OD2 3.08Å; R328-D332 IonicContact NH2-OD1 3.71Å; R328-D332 PolarHBondContact NH2-OD1 3.47Å; R328-D332 VanDerWaalsContact O-CG 3.32Å; R328-D332 PolarHBondContact O-N 3.25Å; Q329-D332 PolarHBondContact O-N 3.4Å; D332-I335 PolarHBondContact O-N 2.93Å; D332-R336 WeakPolarHBondContact O-CG 3.42Å; D332-R336 PolarHBondContact O-N 3.47Å |
| 333 | E | 87.7 | Confident | 87.1 | Confident | 87 Ų | 87 | 63.8 Ų | 63.8 | 41% | 0.407 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 173.9 | -167.2 | 69.9 | -180 | 0 | 0 | 111.9 | Y315 Q329 Y331 R336 V337 | Y315-E333 HydrophobicContact CE1-CG 4.12Å; Q329-E333 WeakPolarHBondContact O-CB 3.49Å; Q329-E333 PolarHBondContact O-N 3.14Å; Y331-E333 VanDerWaalsContact C-N 3.33Å; Y331-E333 PolarHBondContact O-N 3.02Å; E333-R336 WeakPolarHBondContact O-CB 3.49Å; E333-R336 PolarHBondContact O-N 3.29Å; E333-R336 IonicContact OE2-NH1 3.71Å; E333-R336 PolarHBondContact OE2-NH1 3.49Å; E333-V337 PolarHBondContact O-N 3.48Å; E333-V337 VanDerWaalsContact O-N 3.08Å |
| 334 | G | 89.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64 | -39.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V310 R330 Y331 R336 V337 G338 | V310-G334 WeakPolarHBondContact CG1-O 3.39Å; R330-G334 PolarHBondContact O-N 3.32Å; Y331-G334 CarbonylContact O-C 3.59Å; Y331-G334 PolarHBondContact O-N 3.48Å; Y331-G334 VanDerWaalsContact O-N 3.16Å; G334-R336 VanDerWaalsContact C-N 3.33Å; G334-R336 PolarHBondContact O-N 3.23Å; G334-V337 PolarHBondContact O-N 3.19Å; G334-G338 PolarHBondContact O-N 3.14Å |
| 335 | I | 88.1 | Confident | 88.2 | Confident | 47 Ų | 47 | 57.8 Ų | 57.8 | 24% | 0.241 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 172.3 | -71.6 | 169.5 | 0 | 0 | 0 | 110.8 | Y331 D332 V337 G338 S339 | Y331-I335 HydrophobicContact CD1-CD1 3.59Å; Y331-I335 HydrophobicContact CD1-CG1 4.4Å; Y331-I335 HydrophobicContact CE1-CD1 3.1Å; Y331-I335 HydrophobicContact CE1-CG1 4.08Å; Y331-I335 HydrophobicContact CE2-CD1 4.24Å; Y331-I335 HydrophobicContact CE2-CG1 4.4Å; Y331-I335 HydrophobicContact CG-CD1 4.35Å; Y331-I335 VanDerWaalsContact CZ-CD1 3.45Å; Y331-I335 WeakPolarHBondContact O-CG1 3.36Å; Y331-I335 PolarHBondContact O-N 3.35Å; D332-I335 PolarHBondContact O-N 2.93Å; I335-V337 VanDerWaalsContact C-N 3.33Å; I335-V337 PolarHBondContact O-N 3.43Å; I335-G338 PolarHBondContact O-N 3.34Å; I335-S339 WeakPolarHBondContact O-CB 3.32Å; I335-S339 PolarHBondContact O-N 3.03Å; I335-S339 PolarHBondContact O-OG 2.87Å |
| 336 | R | 85.8 | Confident | 88.1 | Confident | 169 Ų | 169 | 57 Ų | 57 | 64% | 0.638 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -60 | -45.2 | 178.1 | -72.9 | 170.3 | 177.6 | -177.2 | -3.8 | 111.5 | D332 E333 G334 S339 L340 | D332-R336 WeakPolarHBondContact O-CG 3.42Å; D332-R336 PolarHBondContact O-N 3.47Å; E333-R336 WeakPolarHBondContact O-CB 3.49Å; E333-R336 PolarHBondContact O-N 3.29Å; E333-R336 IonicContact OE2-NH1 3.71Å; E333-R336 PolarHBondContact OE2-NH1 3.49Å; G334-R336 VanDerWaalsContact C-N 3.33Å; G334-R336 PolarHBondContact O-N 3.23Å; R336-S339 WeakPolarHBondContact O-CB 3.35Å; R336-S339 PolarHBondContact O-N 3.47Å; R336-L340 PolarHBondContact O-N 3.12Å |
| 337 | V | 88.2 | Confident | 88.1 | Confident | 23 Ų | 23 | 54.6 Ų | 54.6 | 14% | 0.139 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.4 | -37.1 | 177.7 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | V310 Y315 E333 G334 I335 S339 L340 G341 V389 | V310-V337 HydrophobicContact CG1-CB 4.48Å; V310-V337 HydrophobicContact CG1-CG1 4.49Å; Y315-V337 HydrophobicContact CE2-CB 4.34Å; Y315-V337 HydrophobicContact CE2-CG1 4.43Å; Y315-V337 WeakPolarHBondContact OH-CG2 3.47Å; E333-V337 PolarHBondContact O-N 3.48Å; E333-V337 VanDerWaalsContact O-N 3.08Å; G334-V337 PolarHBondContact O-N 3.19Å; I335-V337 VanDerWaalsContact C-N 3.33Å; I335-V337 PolarHBondContact O-N 3.43Å; V337-S339 VanDerWaalsContact C-N 3.34Å; V337-L340 WeakPolarHBondContact O-CB 3.08Å; V337-L340 PolarHBondContact O-N 2.91Å; V337-G341 PolarHBondContact O-N 3.25Å; V337-V389 HydrophobicContact CG1-CG1 3.57Å |
| 338 | G | 88.7 | Confident | 88.4 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y306 G334 I335 L340 G341 L342 | Y306-G338 VanDerWaalsContact CE1-O 3.29Å; Y306-G338 WeakPolarHBondContact CE1-O 3.49Å; G334-G338 PolarHBondContact O-N 3.14Å; I335-G338 PolarHBondContact O-N 3.34Å; G338-L340 VanDerWaalsContact C-N 3.32Å; G338-L340 PolarHBondContact O-N 2.97Å; G338-G341 WeakPolarHBondContact O-CA 3.34Å; G338-G341 PolarHBondContact O-N 3.48Å; G338-L342 PolarHBondContact O-N 2.84Å |
| 339 | S | 84.9 | Confident | 88.7 | Confident | 58 Ų | 58 | 51.5 Ų | 51.5 | 41% | 0.406 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 176 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | I335 R336 V337 G341 L342 F343 | I335-S339 WeakPolarHBondContact O-CB 3.32Å; I335-S339 PolarHBondContact O-N 3.03Å; I335-S339 PolarHBondContact O-OG 2.87Å; R336-S339 WeakPolarHBondContact O-CB 3.35Å; R336-S339 PolarHBondContact O-N 3.47Å; V337-S339 VanDerWaalsContact C-N 3.34Å; S339-G341 VanDerWaalsContact C-N 3.33Å; S339-G341 PolarHBondContact O-N 2.66Å; S339-L342 PolarHBondContact O-N 3.33Å; S339-F343 PolarHBondContact O-N 3.08Å |
| 340 | L | 86.8 | Confident | 88.9 | Confident | 89 Ų | 89 | 47.1 Ų | 47.1 | 47% | 0.466 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 170.9 | 176.8 | 66.8 | 0 | 0 | 0 | 111.8 | R336 V337 G338 F343 L344 | R336-L340 PolarHBondContact O-N 3.12Å; V337-L340 WeakPolarHBondContact O-CB 3.08Å; V337-L340 PolarHBondContact O-N 2.91Å; G338-L340 VanDerWaalsContact C-N 3.32Å; G338-L340 PolarHBondContact O-N 2.97Å; L340-F343 PolarHBondContact O-N 2.91Å; L340-L344 HydrophobicContact CG-CD1 4.37Å; L340-L344 WeakPolarHBondContact O-CG 3.36Å; L340-L344 PolarHBondContact O-N 3.01Å |
| 341 | G | 89.9 | Confident | 89.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.8 | -48.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V337 G338 S339 F343 L344 Q345 T396 | V337-G341 PolarHBondContact O-N 3.25Å; G338-G341 WeakPolarHBondContact O-CA 3.34Å; G338-G341 PolarHBondContact O-N 3.48Å; S339-G341 VanDerWaalsContact C-N 3.33Å; S339-G341 PolarHBondContact O-N 2.66Å; G341-F343 PolarHBondContact O-N 2.88Å; G341-L344 PolarHBondContact O-N 3.04Å; G341-Q345 PolarHBondContact O-N 3.26Å; G341-T396 WeakPolarHBondContact O-CG2 3.31Å |
| 342 | L | 86.5 | Confident | 89.4 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 20% | 0.204 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 176.8 | -66.5 | 177.4 | 0 | 0 | 0 | 112.2 | M303 Y306 T307 G338 S339 L344 Q345 C346 | M303-L342 HydrophobicContact CG-CD2 4.44Å; Y306-L342 HydrophobicContact CD1-CD2 3.87Å; Y306-L342 HydrophobicContact CD1-CG 3.94Å; Y306-L342 HydrophobicContact CE1-CD2 4.44Å; Y306-L342 HydrophobicContact CE1-CG 4.28Å; T307-L342 HydrophobicContact CG2-CD1 3.77Å; G338-L342 PolarHBondContact O-N 2.84Å; S339-L342 PolarHBondContact O-N 3.33Å; L342-L344 VanDerWaalsContact C-N 3.34Å; L342-L344 PolarHBondContact O-N 3.37Å; L342-Q345 WeakPolarHBondContact O-CB 3.48Å; L342-Q345 PolarHBondContact O-N 3.35Å; L342-C346 PolarHBondContact O-N 3.23Å; L342-C346 PolarHBondContact O-SG 2.99Å; L342-C346 VanDerWaalsContact O-SG 3.4Å |
| 343 | F | 85.4 | Confident | 89.8 | Confident | 87 Ų | 87 | 45.6 Ų | 45.6 | 38% | 0.382 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 173 | 172.2 | -96.4 | 0 | 0 | 0 | 112.2 | S339 L340 G341 Q345 C346 S347 | S339-F343 PolarHBondContact O-N 3.08Å; L340-F343 PolarHBondContact O-N 2.91Å; G341-F343 PolarHBondContact O-N 2.88Å; F343-Q345 VanDerWaalsContact C-N 3.33Å; F343-C346 PolarHBondContact O-N 2.75Å; F343-S347 WeakPolarHBondContact O-CB 3.37Å; F343-S347 PolarHBondContact O-N 3.07Å; F343-S347 PolarHBondContact O-OG 2.74Å |
| 344 | L | 90.3 | Very high | 90 | Very high | 59 Ų | 59 | 45.2 Ų | 45.2 | 31% | 0.309 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.2 | -36 | 175.7 | -70.6 | 173.9 | 0 | 0 | 0 | 111.8 | L340 G341 L342 S347 T348 T393 A397 | L340-L344 HydrophobicContact CG-CD1 4.37Å; L340-L344 WeakPolarHBondContact O-CG 3.36Å; L340-L344 PolarHBondContact O-N 3.01Å; G341-L344 PolarHBondContact O-N 3.04Å; L342-L344 VanDerWaalsContact C-N 3.34Å; L342-L344 PolarHBondContact O-N 3.37Å; L344-S347 WeakPolarHBondContact O-CB 3.48Å; L344-S347 PolarHBondContact O-N 2.98Å; L344-T348 WeakPolarHBondContact O-CG2 3.35Å; L344-T348 PolarHBondContact O-N 3.06Å; L344-T348 PolarHBondContact O-OG1 3.2Å; L344-T393 HydrophobicContact CD1-CG2 3.62Å; L344-A397 HydrophobicContact CB-CB 3.85Å |
| 345 | Q | 92.1 | Very high | 90.1 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.019 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 171.3 | 176.9 | -170.4 | -8.2 | 0 | 0 | 111.7 | M303 G341 L342 F343 S347 T348 S349 T399 G400 | M303-Q345 PolarHBondContact SD-NE2 2.9Å; M303-Q345 VanDerWaalsContact SD-NE2 3.44Å; G341-Q345 PolarHBondContact O-N 3.26Å; L342-Q345 WeakPolarHBondContact O-CB 3.48Å; L342-Q345 PolarHBondContact O-N 3.35Å; F343-Q345 VanDerWaalsContact C-N 3.33Å; Q345-S347 VanDerWaalsContact C-N 3.3Å; Q345-S347 PolarHBondContact O-N 3.48Å; Q345-T348 PolarHBondContact O-N 3.11Å; Q345-T348 PolarHBondContact O-OG1 2.81Å; Q345-S349 VanDerWaalsContact O-CB 3.26Å; Q345-S349 WeakPolarHBondContact O-CB 3.11Å; Q345-S349 PolarHBondContact O-N 3.18Å; Q345-T399 VanDerWaalsContact CD-OG1 3.29Å; Q345-T399 WeakPolarHBondContact CG-OG1 3.39Å; Q345-G400 WeakPolarHBondContact O-CA 3.45Å |
| 346 | C | 87.8 | Confident | 90.3 | Very high | 19 Ų | 19 | 44.2 Ų | 44.2 | 13% | 0.128 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.8 | -37.4 | 175.5 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | C165 L342 F343 S349 T350 | C165-C346 WeakPolarHBondContact SG-CB 3.39Å; L342-C346 PolarHBondContact O-N 3.23Å; L342-C346 PolarHBondContact O-SG 2.99Å; L342-C346 VanDerWaalsContact O-SG 3.4Å; F343-C346 PolarHBondContact O-N 2.75Å; C346-S349 PolarHBondContact O-N 3.41Å; C346-T350 WeakPolarHBondContact O-CB 3.23Å; C346-T350 PolarHBondContact O-N 3.18Å; C346-T350 PolarHBondContact O-OG1 2.91Å |
| 347 | S | 90.4 | Very high | 90.4 | Very high | 38 Ų | 38 | 37.4 Ų | 37.4 | 27% | 0.266 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.2 | -46.6 | 176.8 | -61.9 | 0 | 0 | 0 | 0 | 112.3 | F343 L344 Q345 T350 M351 | F343-S347 WeakPolarHBondContact O-CB 3.37Å; F343-S347 PolarHBondContact O-N 3.07Å; F343-S347 PolarHBondContact O-OG 2.74Å; L344-S347 WeakPolarHBondContact O-CB 3.48Å; L344-S347 PolarHBondContact O-N 2.98Å; Q345-S347 VanDerWaalsContact C-N 3.3Å; Q345-S347 PolarHBondContact O-N 3.48Å; S347-T350 WeakPolarHBondContact O-CB 3.26Å; S347-T350 PolarHBondContact O-N 3.41Å; S347-M351 WeakPolarHBondContact O-CG 3.44Å; S347-M351 PolarHBondContact O-N 3.37Å |
| 348 | T | 94.3 | Very high | 90.5 | Very high | 35 Ų | 35 | 44.4 Ų | 44.4 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.8 | -37.6 | 175.3 | 56 | 0 | 0 | 0 | 0 | 111.5 | L344 Q345 T350 M351 F352 A397 | L344-T348 WeakPolarHBondContact O-CG2 3.35Å; L344-T348 PolarHBondContact O-N 3.06Å; L344-T348 PolarHBondContact O-OG1 3.2Å; Q345-T348 PolarHBondContact O-N 3.11Å; Q345-T348 PolarHBondContact O-OG1 2.81Å; T348-T350 VanDerWaalsContact C-N 3.33Å; T348-T350 PolarHBondContact O-N 2.98Å; T348-M351 WeakPolarHBondContact O-CB 3.28Å; T348-M351 PolarHBondContact O-N 3.19Å; T348-M351 VanDerWaalsContact O-N 3.15Å; T348-F352 WeakPolarHBondContact O-CD2 3.49Å; T348-F352 PolarHBondContact O-N 3.48Å; T348-A397 VanDerWaalsContact CB-O 3.3Å; T348-A397 WeakPolarHBondContact CB-O 3.41Å; T348-A397 HydrophobicContact CG2-CB 4.01Å; T348-A397 WeakPolarHBondContact CG2-O 3.48Å; T348-A397 PolarHBondContact OG1-O 2.87Å |
| 349 | S | 94.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58 | -47 | 174.5 | -167.8 | 0 | 0 | 0 | 0 | 111.2 | S161 Q345 C346 M351 F352 S353 G400 Y403 A404 | S161-S349 PolarHBondContact OG-OG 2.72Å; Q345-S349 VanDerWaalsContact O-CB 3.26Å; Q345-S349 WeakPolarHBondContact O-CB 3.11Å; Q345-S349 PolarHBondContact O-N 3.18Å; C346-S349 PolarHBondContact O-N 3.41Å; S349-M351 VanDerWaalsContact C-N 3.3Å; S349-M351 PolarHBondContact O-N 3.24Å; S349-F352 CarbonylContact O-C 3.41Å; S349-F352 PolarHBondContact O-N 3.03Å; S349-F352 VanDerWaalsContact O-N 3.11Å; S349-S353 PolarHBondContact O-N 2.91Å; S349-S353 PolarHBondContact O-OG 3.42Å; S349-S353 VanDerWaalsContact O-OG 3.04Å; S349-G400 WeakPolarHBondContact CA-O 3.3Å; S349-G400 WeakPolarHBondContact CB-O 2.93Å; S349-G400 PolarHBondContact OG-O 3.21Å; S349-Y403 WeakPolarHBondContact OG-CD1 3.33Å; S349-A404 WeakPolarHBondContact OG-CB 3.25Å; S349-A404 PolarHBondContact OG-N 3.43Å |
| 350 | T | 93.1 | Very high | 90.9 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 12% | 0.117 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.4 | -45 | 174.1 | -56.9 | 0 | 0 | 0 | 0 | 112 | F158 S161 V162 C346 S347 T348 S353 L354 | F158-T350 HydrophobicContact CD2-CG2 3.54Å; F158-T350 HydrophobicContact CE2-CG2 3.39Å; S161-T350 VanDerWaalsContact CB-OG1 3.22Å; S161-T350 WeakPolarHBondContact CB-OG1 3.39Å; V162-T350 HydrophobicContact CG2-CG2 3.93Å; C346-T350 WeakPolarHBondContact O-CB 3.23Å; C346-T350 PolarHBondContact O-N 3.18Å; C346-T350 PolarHBondContact O-OG1 2.91Å; S347-T350 WeakPolarHBondContact O-CB 3.26Å; S347-T350 PolarHBondContact O-N 3.41Å; T348-T350 VanDerWaalsContact C-N 3.33Å; T348-T350 PolarHBondContact O-N 2.98Å; T350-S353 PolarHBondContact O-N 2.84Å; T350-L354 PolarHBondContact O-N 3.39Å |
| 351 | M | 93.8 | Very high | 90.9 | Very high | 123 Ų | 123 | 47.3 Ų | 47.3 | 61% | 0.606 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -63.4 | -45.1 | 177 | -66.3 | -87.2 | 84.6 | 0 | 0 | 112.1 | S347 T348 S349 L354 A355 | S347-M351 WeakPolarHBondContact O-CG 3.44Å; S347-M351 PolarHBondContact O-N 3.37Å; T348-M351 WeakPolarHBondContact O-CB 3.28Å; T348-M351 PolarHBondContact O-N 3.19Å; T348-M351 VanDerWaalsContact O-N 3.15Å; S349-M351 VanDerWaalsContact C-N 3.3Å; S349-M351 PolarHBondContact O-N 3.24Å; M351-L354 HydrophobicContact CE-CD1 4.15Å; M351-L354 PolarHBondContact O-N 3.31Å; M351-A355 PolarHBondContact O-N 3.38Å |
| 352 | F | 95 | Very high | 91 | Very high | 60 Ų | 60 | 57.3 Ų | 57.3 | 26% | 0.263 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.9 | -35.2 | 178.6 | -78.3 | -67.4 | 0 | 0 | 0 | 112.6 | T348 S349 L354 A355 M356 F401 A404 | T348-F352 WeakPolarHBondContact O-CD2 3.49Å; T348-F352 PolarHBondContact O-N 3.48Å; S349-F352 CarbonylContact O-C 3.41Å; S349-F352 PolarHBondContact O-N 3.03Å; S349-F352 VanDerWaalsContact O-N 3.11Å; F352-L354 PolarHBondContact O-N 2.81Å; F352-A355 CarbonylContact O-C 3.6Å; F352-A355 PolarHBondContact O-N 2.72Å; F352-A355 VanDerWaalsContact O-N 3.14Å; F352-M356 WeakPolarHBondContact O-CA 3.1Å; F352-M356 WeakPolarHBondContact O-CB 3.33Å; F352-M356 PolarHBondContact O-N 3.08Å; F352-F401 HydrophobicContact CB-CD2 4.06Å; F352-F401 HydrophobicContact CD1-CB 4.43Å; F352-F401 AromaticContact CD1-CD2 3.44Å; F352-F401 HydrophobicContact CD1-CD2 3.44Å; F352-F401 VanDerWaalsContact CD1-CD2 3.44Å; F352-F401 HydrophobicContact CD1-CE2 4.01Å; F352-F401 HydrophobicContact CD1-CG 4.13Å; F352-F401 HydrophobicContact CD2-CB 3.65Å; F352-F401 HydrophobicContact CD2-CD2 4.1Å; F352-F401 HydrophobicContact CD2-CG 4.23Å; F352-F401 HydrophobicContact CE1-CB 4.41Å; F352-F401 AromaticContact CE1-CD2 3.83Å; F352-F401 HydrophobicContact CE1-CD2 3.83Å; F352-F401 HydrophobicContact CE1-CE2 4.37Å; F352-F401 HydrophobicContact CE1-CG 4.12Å; F352-F401 HydrophobicContact CE2-CB 3.64Å; F352-F401 HydrophobicContact CE2-CD2 4.44Å; F352-F401 HydrophobicContact CE2-CG 4.24Å; F352-F401 HydrophobicContact CG-CB 4.08Å; F352-F401 AromaticContact CG-CD2 3.6Å; F352-F401 HydrophobicContact CG-CD2 3.6Å; F352-F401 HydrophobicContact CG-CG 4.19Å; F352-F401 HydrophobicContact CZ-CB 4.03Å; F352-F401 HydrophobicContact CZ-CD2 4.32Å; F352-F401 HydrophobicContact CZ-CG 4.18Å; F352-A404 HydrophobicContact CB-CB 3.92Å |
| 353 | S | 93.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 175.9 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | S157 S349 T350 A355 M356 A404 | S157-S353 PolarHBondContact OG-OG 2.91Å; S349-S353 PolarHBondContact O-N 2.91Å; S349-S353 PolarHBondContact O-OG 3.42Å; S349-S353 VanDerWaalsContact O-OG 3.04Å; T350-S353 PolarHBondContact O-N 2.84Å; S353-A355 VanDerWaalsContact C-N 3.32Å; S353-A355 PolarHBondContact O-N 3.15Å; S353-M356 VanDerWaalsContact O-CB 3.27Å; S353-M356 WeakPolarHBondContact O-CB 3.33Å; S353-M356 PolarHBondContact O-N 3.33Å; S353-A404 WeakPolarHBondContact OG-CB 3.38Å |
| 354 | L | 91.4 | Very high | 91.5 | Very high | 79 Ų | 79 | 57.7 Ų | 57.7 | 41% | 0.414 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 172.1 | -70.6 | 175.4 | 0 | 0 | 0 | 112.5 | F158 T350 M351 F352 | F158-L354 HydrophobicContact CD1-CD2 4.48Å; F158-L354 HydrophobicContact CD2-CD1 4.15Å; F158-L354 HydrophobicContact CD2-CD2 3.59Å; F158-L354 HydrophobicContact CD2-CG 3.56Å; F158-L354 HydrophobicContact CE2-CD1 3.81Å; F158-L354 HydrophobicContact CE2-CD2 3.71Å; F158-L354 HydrophobicContact CE2-CG 3.74Å; F158-L354 HydrophobicContact CG-CD2 3.99Å; F158-L354 HydrophobicContact CG-CG 4.37Å; F158-L354 HydrophobicContact CZ-CD2 4.23Å; T350-L354 PolarHBondContact O-N 3.39Å; M351-L354 HydrophobicContact CE-CD1 4.15Å; M351-L354 PolarHBondContact O-N 3.31Å; F352-L354 PolarHBondContact O-N 2.81Å |
| 355 | A | 92.5 | Very high | 91.5 | Very high | 26 Ų | 26 | 57.2 Ų | 57.2 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -80.1 | -16.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | M351 F352 S353 S357 R358 L359 | M351-A355 PolarHBondContact O-N 3.38Å; F352-A355 CarbonylContact O-C 3.6Å; F352-A355 PolarHBondContact O-N 2.72Å; F352-A355 VanDerWaalsContact O-N 3.14Å; S353-A355 VanDerWaalsContact C-N 3.32Å; S353-A355 PolarHBondContact O-N 3.15Å; A355-S357 VanDerWaalsContact C-N 3.33Å; A355-S357 PolarHBondContact O-N 2.93Å; A355-R358 WeakPolarHBondContact O-CA 3.12Å; A355-R358 WeakPolarHBondContact O-CB 2.88Å; A355-R358 PolarHBondContact O-N 3.43Å; A355-L359 HydrophobicContact CB-CD1 3.48Å; A355-L359 VanDerWaalsContact CB-CD1 3.48Å; A355-L359 WeakPolarHBondContact O-CD1 3.2Å; A355-L359 PolarHBondContact O-N 3.3Å |
| 356 | M | 91.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.2 | -44.6 | -168.1 | -170.6 | 58.5 | 68.7 | 0 | 0 | 112.4 | A154 F352 S353 R358 L359 L360 V368 A404 T408 V409 | A154-M356 HydrophobicContact CB-CB 4.01Å; A154-M356 HydrophobicContact CB-CG 4.44Å; F352-M356 WeakPolarHBondContact O-CA 3.1Å; F352-M356 WeakPolarHBondContact O-CB 3.33Å; F352-M356 PolarHBondContact O-N 3.08Å; S353-M356 VanDerWaalsContact O-CB 3.27Å; S353-M356 WeakPolarHBondContact O-CB 3.33Å; S353-M356 PolarHBondContact O-N 3.33Å; M356-R358 PolarHBondContact O-N 2.59Å; M356-L359 PolarHBondContact O-N 3.15Å; M356-L359 VanDerWaalsContact O-N 3.12Å; M356-L360 HydrophobicContact CG-CD1 3.95Å; M356-L360 HydrophobicContact CG-CG 4.25Å; M356-L360 WeakPolarHBondContact O-CG 3.4Å; M356-L360 PolarHBondContact O-N 3.3Å; M356-L360 HydrophobicContact SD-CD1 4.35Å; M356-L360 HydrophobicContact SD-CD2 4.43Å; M356-L360 HydrophobicContact SD-CG 4.14Å; M356-V368 HydrophobicContact SD-CG1 3.87Å; M356-A404 HydrophobicContact CE-CB 4Å; M356-T408 HydrophobicContact CG-CG2 3.64Å; M356-V409 HydrophobicContact SD-CG2 4.46Å |
| 357 | S | 88.1 | Confident | 91.8 | Very high | 26 Ų | 26 | 69.8 Ų | 69.8 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61 | -26.3 | 176.8 | 68.3 | 0 | 0 | 0 | 0 | 113.8 | A355 R361 | A355-S357 VanDerWaalsContact C-N 3.33Å; A355-S357 PolarHBondContact O-N 2.93Å; S357-R361 WeakPolarHBondContact O-CG 3.31Å; S357-R361 PolarHBondContact O-NE 2.71Å |
| 358 | R | 89.1 | Confident | 92 | Very high | 170 Ų | 170 | 68.2 Ų | 68.2 | 64% | 0.642 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -83.9 | -40.2 | 174.3 | -59.1 | -176.8 | -176.4 | 121.6 | -1.2 | 111 | A355 M356 R361 R362 | A355-R358 WeakPolarHBondContact O-CA 3.12Å; A355-R358 WeakPolarHBondContact O-CB 2.88Å; A355-R358 PolarHBondContact O-N 3.43Å; M356-R358 PolarHBondContact O-N 2.59Å; R358-R361 PolarHBondContact O-N 2.63Å; R358-R362 WeakPolarHBondContact O-CB 3.5Å; R358-R362 PolarHBondContact O-N 3.24Å |
| 359 | L | 91.8 | Very high | 92.1 | Very high | 34 Ų | 34 | 66.6 Ų | 66.6 | 18% | 0.178 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 176.7 | -85.1 | 87.3 | 0 | 0 | 0 | 111.3 | A355 M356 R361 R362 F363 V368 F401 | A355-L359 HydrophobicContact CB-CD1 3.48Å; A355-L359 VanDerWaalsContact CB-CD1 3.48Å; A355-L359 WeakPolarHBondContact O-CD1 3.2Å; A355-L359 PolarHBondContact O-N 3.3Å; M356-L359 PolarHBondContact O-N 3.15Å; M356-L359 VanDerWaalsContact O-N 3.12Å; L359-R361 VanDerWaalsContact C-N 3.33Å; L359-R361 PolarHBondContact O-N 3.05Å; L359-R362 PolarHBondContact O-N 3.26Å; L359-F363 PolarHBondContact O-N 3.06Å; L359-V368 HydrophobicContact CB-CG2 3.95Å; L359-F401 HydrophobicContact CD2-CE2 3.83Å; L359-F401 HydrophobicContact CD2-CZ 4.06Å |
| 360 | L | 90.8 | Very high | 92.2 | Very high | 25 Ų | 25 | 69.3 Ų | 69.3 | 13% | 0.131 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 179.9 | -66.7 | 174.5 | 0 | 0 | 0 | 112.2 | M356 G364 P365 V368 T408 V409 | M356-L360 HydrophobicContact CG-CD1 3.95Å; M356-L360 HydrophobicContact CG-CG 4.25Å; M356-L360 WeakPolarHBondContact O-CG 3.4Å; M356-L360 PolarHBondContact O-N 3.3Å; M356-L360 HydrophobicContact SD-CD1 4.35Å; M356-L360 HydrophobicContact SD-CD2 4.43Å; M356-L360 HydrophobicContact SD-CG 4.14Å; L360-G364 WeakPolarHBondContact O-CA 3.38Å; L360-G364 PolarHBondContact O-N 3.28Å; L360-P365 HydrophobicContact CD2-CB 4.19Å; L360-V368 HydrophobicContact CD2-CB 3.93Å; L360-V368 HydrophobicContact CD2-CG1 3.99Å; L360-V368 HydrophobicContact CD2-CG2 4.1Å; L360-T408 HydrophobicContact CD1-CG2 4.31Å; L360-V409 HydrophobicContact CD1-CG2 4.41Å; L360-V409 HydrophobicContact CD2-CG2 3.66Å |
| 361 | R | 87.6 | Confident | 92.3 | Very high | 150 Ų | 150 | 70 Ų | 70 | 57% | 0.566 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -70.3 | -37.9 | 176.3 | -75.3 | -174.4 | -68.8 | 160.7 | -2.2 | 113.5 | S357 R358 L359 | S357-R361 WeakPolarHBondContact O-CG 3.31Å; S357-R361 PolarHBondContact O-NE 2.71Å; R358-R361 PolarHBondContact O-N 2.63Å; L359-R361 VanDerWaalsContact C-N 3.33Å; L359-R361 PolarHBondContact O-N 3.05Å |
| 362 | R | 91.3 | Very high | 92.4 | Very high | 210 Ų | 210 | 64.1 Ų | 64.1 | 79% | 0.792 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -83.9 | -39.8 | -174.5 | -170.7 | 173.3 | -176.3 | 165.5 | 0.9 | 113.2 | R358 L359 | R358-R362 WeakPolarHBondContact O-CB 3.5Å; R358-R362 PolarHBondContact O-N 3.24Å; L359-R362 PolarHBondContact O-N 3.26Å |
| 363 | F | 91.4 | Very high | 92.5 | Very high | 109 Ų | 109 | 61.3 Ų | 61.3 | 48% | 0.478 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -108.2 | -14.8 | -173.8 | -63.9 | -71.2 | 0 | 0 | 0 | 113.5 | L359 R367 V368 | L359-F363 PolarHBondContact O-N 3.06Å; F363-R367 HydrophobicContact CB-CB 4.33Å; F363-R367 WeakPolarHBondContact O-CB 3.45Å; F363-R367 WeakPolarHBondContact O-CD 3.42Å; F363-R367 WeakPolarHBondContact O-CG 3.11Å; F363-V368 HydrophobicContact CB-CG2 4Å |
| 364 | G | 90.6 | Very high | 92.7 | Very high | 24 Ų | 24 | 64 Ų | 64 | 25% | 0.247 | 30% | 0.298 | C | S | . | . | trans | 80.5 | 153.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113 | L360 R366 R367 V368 | L360-G364 WeakPolarHBondContact O-CA 3.38Å; L360-G364 PolarHBondContact O-N 3.28Å; G364-R366 VanDerWaalsContact C-N 3.31Å; G364-R366 PolarHBondContact O-N 2.8Å; G364-R367 PolarHBondContact O-N 3.47Å; G364-V368 WeakPolarHBondContact O-CG2 3.35Å; G364-V368 PolarHBondContact O-N 3.47Å | ||
| 365 | P | 90.5 | Very high | 93 | Very high | 49 Ų | 49 | 61.2 Ų | 61.2 | 32% | 0.318 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.9 | -37.4 | -174.9 | 24.1 | -33.9 | 0 | 0 | 0 | 113.1 | L360 V368 Y369 V409 F541 | L360-P365 HydrophobicContact CD2-CB 4.19Å; P365-V368 PolarHBondContact O-N 3.28Å; P365-Y369 WeakPolarHBondContact O-CB 3.24Å; P365-Y369 PolarHBondContact O-N 2.94Å; P365-V409 HydrophobicContact CB-CG1 4.21Å; P365-F541 HydrophobicContact CB-CD1 3.94Å; P365-F541 HydrophobicContact CB-CE1 4.3Å; P365-F541 HydrophobicContact CG-CD1 4.1Å |
| 366 | R | 92.6 | Very high | 93.2 | Very high | 107 Ų | 107 | 60 Ų | 60 | 40% | 0.404 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59 | -50 | 178.7 | -176.4 | 171.1 | 178.7 | 161.1 | 1.3 | 113 | G364 L370 F541 D545 | G364-R366 VanDerWaalsContact C-N 3.31Å; G364-R366 PolarHBondContact O-N 2.8Å; R366-L370 WeakPolarHBondContact O-CB 3.41Å; R366-L370 PolarHBondContact O-N 3.18Å; R366-F541 HydrophobicContact CB-CB 4.06Å; R366-F541 HydrophobicContact CB-CD1 4.05Å; R366-F541 HydrophobicContact CB-CD2 3.6Å; R366-F541 HydrophobicContact CB-CE1 4.39Å; R366-F541 HydrophobicContact CB-CE2 3.96Å; R366-F541 HydrophobicContact CB-CG 3.62Å; R366-F541 HydrophobicContact CB-CZ 4.34Å; R366-F541 HydrophobicContact CG-CD2 3.59Å; R366-F541 HydrophobicContact CG-CE2 3.77Å; R366-F541 HydrophobicContact CG-CG 4.16Å; R366-D545 IonicContact NH1-OD1 3.54Å; R366-D545 PolarHBondContact NH1-OD1 3.27Å; R366-D545 IonicContact NH1-OD2 2.63Å |
| 367 | R | 93.6 | Very high | 93.5 | Very high | 181 Ų | 181 | 60.5 Ų | 60.5 | 68% | 0.683 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -72 | -36.5 | -177.2 | -63.2 | -173.4 | -176.1 | 166.3 | -0.5 | 111.5 | F363 G364 G371 | F363-R367 HydrophobicContact CB-CB 4.33Å; F363-R367 WeakPolarHBondContact O-CB 3.45Å; F363-R367 WeakPolarHBondContact O-CD 3.42Å; F363-R367 WeakPolarHBondContact O-CG 3.11Å; G364-R367 PolarHBondContact O-N 3.47Å; R367-G371 WeakPolarHBondContact O-CA 3.47Å; R367-G371 PolarHBondContact O-N 3.41Å |
| 368 | V | 95.5 | Very high | 93.9 | Very high | 5 Ų | 5 | 64.5 Ų | 64.5 | 3% | 0.03 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65 | -48.5 | 177 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | M356 L359 L360 F363 G364 P365 S372 F401 T405 | M356-V368 HydrophobicContact SD-CG1 3.87Å; L359-V368 HydrophobicContact CB-CG2 3.95Å; L360-V368 HydrophobicContact CD2-CB 3.93Å; L360-V368 HydrophobicContact CD2-CG1 3.99Å; L360-V368 HydrophobicContact CD2-CG2 4.1Å; F363-V368 HydrophobicContact CB-CG2 4Å; G364-V368 WeakPolarHBondContact O-CG2 3.35Å; G364-V368 PolarHBondContact O-N 3.47Å; P365-V368 PolarHBondContact O-N 3.28Å; V368-S372 WeakPolarHBondContact O-CB 3.36Å; V368-S372 PolarHBondContact O-N 3.22Å; V368-F401 HydrophobicContact CG1-CE2 4.5Å; V368-F401 HydrophobicContact CG1-CZ 4.4Å; V368-T405 HydrophobicContact CG1-CG2 4.07Å |
| 369 | Y | 95.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.5 | -55.6 | 176.9 | -166.7 | -74.7 | 0 | 0 | 0 | 111.4 | S295 P365 G371 S372 M373 T405 L406 V409 P410 S536 I539 F541 | S295-Y369 WeakPolarHBondContact CB-OH 2.92Å; S295-Y369 PolarHBondContact OG-OH 2.64Å; P365-Y369 WeakPolarHBondContact O-CB 3.24Å; P365-Y369 PolarHBondContact O-N 2.94Å; Y369-G371 PolarHBondContact O-N 2.79Å; Y369-S372 PolarHBondContact O-N 3.49Å; Y369-S372 PolarHBondContact O-OG 3.18Å; Y369-M373 HydrophobicContact CD1-CG 4.23Å; Y369-M373 HydrophobicContact CE1-CE 4.3Å; Y369-M373 HydrophobicContact CE1-CG 3.83Å; Y369-M373 PolarHBondContact O-N 3.23Å; Y369-T405 HydrophobicContact CD2-CG2 4.46Å; Y369-L406 HydrophobicContact CE2-CD2 4.03Å; Y369-L406 WeakPolarHBondContact OH-CD2 3.18Å; Y369-V409 HydrophobicContact CD2-CB 4.15Å; Y369-V409 HydrophobicContact CD2-CG1 3.97Å; Y369-P410 HydrophobicContact CE2-CG 4.01Å; Y369-S536 WeakPolarHBondContact CE1-OG 3.25Å; Y369-I539 HydrophobicContact CD1-CD1 4.39Å; Y369-I539 HydrophobicContact CE1-CD1 4.16Å; Y369-F541 HydrophobicContact CG-CZ 4.31Å |
| 370 | L | 95.9 | Very high | 94.5 | Very high | 57 Ų | 57 | 54.9 Ų | 54.9 | 30% | 0.298 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | -177.4 | -169.8 | 70.5 | 0 | 0 | 0 | 111.9 | R366 S372 M373 V374 I533 T537 | R366-L370 WeakPolarHBondContact O-CB 3.41Å; R366-L370 PolarHBondContact O-N 3.18Å; L370-S372 VanDerWaalsContact C-N 3.28Å; L370-S372 PolarHBondContact O-N 3.35Å; L370-M373 PolarHBondContact O-N 3.11Å; L370-V374 VanDerWaalsContact O-CG2 3.32Å; L370-V374 WeakPolarHBondContact O-CG2 3.39Å; L370-V374 PolarHBondContact O-N 2.95Å; L370-I533 HydrophobicContact CD1-CG2 3.92Å; L370-T537 HydrophobicContact CD1-CG2 4.36Å |
| 371 | G | 96.1 | Very high | 94.7 | Very high | 33 Ų | 33 | 57.4 Ų | 57.4 | 34% | 0.34 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61 | -37.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R367 Y369 S375 | R367-G371 WeakPolarHBondContact O-CA 3.47Å; R367-G371 PolarHBondContact O-N 3.41Å; Y369-G371 PolarHBondContact O-N 2.79Å; G371-S375 VanDerWaalsContact O-CB 3.31Å; G371-S375 WeakPolarHBondContact O-CB 3.34Å; G371-S375 PolarHBondContact O-N 3.4Å |
| 372 | S | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 176.6 | 80.8 | 0 | 0 | 0 | 0 | 112.7 | V368 Y369 L370 S375 F376 T405 | V368-S372 WeakPolarHBondContact O-CB 3.36Å; V368-S372 PolarHBondContact O-N 3.22Å; Y369-S372 PolarHBondContact O-N 3.49Å; Y369-S372 PolarHBondContact O-OG 3.18Å; L370-S372 VanDerWaalsContact C-N 3.28Å; L370-S372 PolarHBondContact O-N 3.35Å; S372-S375 WeakPolarHBondContact O-CB 3.4Å; S372-S375 PolarHBondContact O-N 3.3Å; S372-F376 WeakPolarHBondContact O-CB 3.42Å; S372-F376 PolarHBondContact O-N 3.14Å; S372-T405 WeakPolarHBondContact CB-OG1 3.49Å; S372-T405 WeakPolarHBondContact OG-CB 3.46Å; S372-T405 WeakPolarHBondContact OG-CG2 3.45Å |
| 373 | M | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.1 | -37.7 | 177.7 | -69.7 | -59.3 | 143.4 | 0 | 0 | 112.9 | Y369 L370 F376 T377 A402 L406 A532 I533 | Y369-M373 HydrophobicContact CD1-CG 4.23Å; Y369-M373 HydrophobicContact CE1-CE 4.3Å; Y369-M373 HydrophobicContact CE1-CG 3.83Å; Y369-M373 PolarHBondContact O-N 3.23Å; L370-M373 PolarHBondContact O-N 3.11Å; M373-F376 PolarHBondContact O-N 2.79Å; M373-T377 WeakPolarHBondContact O-CB 3.22Å; M373-T377 PolarHBondContact O-N 3.22Å; M373-T377 PolarHBondContact O-OG1 3.21Å; M373-A402 HydrophobicContact CE-CB 4.43Å; M373-L406 HydrophobicContact CE-CD1 3.73Å; M373-L406 HydrophobicContact CE-CD2 3.41Å; M373-L406 VanDerWaalsContact CE-CD2 3.41Å; M373-L406 HydrophobicContact CE-CG 3.45Å; M373-L406 VanDerWaalsContact CE-CG 3.45Å; M373-A532 HydrophobicContact SD-CB 4.37Å; M373-I533 HydrophobicContact CB-CG1 3.74Å |
| 374 | V | 97.6 | Very high | 95.2 | Very high | 57 Ų | 57 | 37.8 Ų | 37.8 | 35% | 0.345 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.3 | -48 | 172.1 | 171.4 | 0 | 0 | 0 | 0 | 110 | L370 F376 T377 L378 I533 | L370-V374 VanDerWaalsContact O-CG2 3.32Å; L370-V374 WeakPolarHBondContact O-CG2 3.39Å; L370-V374 PolarHBondContact O-N 2.95Å; V374-F376 VanDerWaalsContact C-N 3.33Å; V374-F376 PolarHBondContact O-N 3.2Å; V374-T377 PolarHBondContact O-N 2.89Å; V374-L378 HydrophobicContact CG1-CD1 3.91Å; V374-L378 HydrophobicContact CG1-CG 4.39Å; V374-L378 WeakPolarHBondContact O-CB 3.43Å; V374-L378 VanDerWaalsContact O-CG 3.32Å; V374-L378 WeakPolarHBondContact O-CG 3.47Å; V374-L378 PolarHBondContact O-N 3.5Å; V374-I533 HydrophobicContact CB-CD1 4.43Å; V374-I533 HydrophobicContact CG2-CD1 3.86Å; V374-I533 HydrophobicContact CG2-CG1 4.13Å; V374-I533 HydrophobicContact CG2-CG2 4.34Å |
| 375 | S | 96.9 | Very high | 95.2 | Very high | 22 Ų | 22 | 43.8 Ų | 43.8 | 15% | 0.154 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.3 | -46.2 | 176.1 | -171.1 | 0 | 0 | 0 | 0 | 111.4 | G371 S372 L378 S379 | G371-S375 VanDerWaalsContact O-CB 3.31Å; G371-S375 WeakPolarHBondContact O-CB 3.34Å; G371-S375 PolarHBondContact O-N 3.4Å; S372-S375 WeakPolarHBondContact O-CB 3.4Å; S372-S375 PolarHBondContact O-N 3.3Å; S375-L378 PolarHBondContact O-N 2.95Å; S375-S379 WeakPolarHBondContact O-CB 3.03Å; S375-S379 PolarHBondContact O-N 3.15Å; S375-S379 PolarHBondContact O-OG 3.15Å |
| 376 | F | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.5 | -48 | 177.8 | 178.9 | -90.9 | 0 | 0 | 0 | 112.3 | A298 V299 F302 S372 M373 V374 L378 S379 A380 T399 A402 S525 | A298-F376 HydrophobicContact CB-CD1 4.2Å; A298-F376 HydrophobicContact CB-CE1 3.6Å; A298-F376 HydrophobicContact CB-CZ 4.32Å; A298-F376 WeakPolarHBondContact O-CZ 3.37Å; V299-F376 HydrophobicContact CB-CE2 4.28Å; V299-F376 HydrophobicContact CB-CZ 4.43Å; V299-F376 HydrophobicContact CG2-CD2 3.91Å; V299-F376 HydrophobicContact CG2-CE1 4.46Å; V299-F376 HydrophobicContact CG2-CE2 3.69Å; V299-F376 HydrophobicContact CG2-CG 4.39Å; V299-F376 HydrophobicContact CG2-CZ 4Å; F302-F376 HydrophobicContact CB-CE2 4.3Å; F302-F376 HydrophobicContact CB-CZ 3.85Å; F302-F376 HydrophobicContact CD1-CE2 4.46Å; F302-F376 HydrophobicContact CG-CE2 4.42Å; F302-F376 HydrophobicContact CG-CZ 4.34Å; S372-F376 WeakPolarHBondContact O-CB 3.42Å; S372-F376 PolarHBondContact O-N 3.14Å; M373-F376 PolarHBondContact O-N 2.79Å; V374-F376 VanDerWaalsContact C-N 3.33Å; V374-F376 PolarHBondContact O-N 3.2Å; F376-L378 VanDerWaalsContact C-N 3.34Å; F376-L378 PolarHBondContact O-N 2.9Å; F376-S379 WeakPolarHBondContact O-CB 3.26Å; F376-S379 PolarHBondContact O-N 3.36Å; F376-A380 HydrophobicContact CE1-CB 4.43Å; F376-A380 WeakPolarHBondContact O-CB 3.39Å; F376-A380 PolarHBondContact O-N 3.18Å; F376-T399 HydrophobicContact CD2-CG2 3.91Å; F376-T399 HydrophobicContact CE2-CG2 3.97Å; F376-A402 HydrophobicContact CB-CB 3.7Å; F376-A402 HydrophobicContact CD2-CB 4.07Å; F376-A402 HydrophobicContact CG-CB 4.19Å; F376-S525 WeakPolarHBondContact CE1-OG 3.5Å; F376-S525 WeakPolarHBondContact CZ-OG 3.5Å |
| 377 | T | 96.9 | Very high | 95 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.4 | -40.8 | -177.9 | -53.8 | 0 | 0 | 0 | 0 | 111.1 | M373 V374 A380 L381 G529 A530 I533 | M373-T377 WeakPolarHBondContact O-CB 3.22Å; M373-T377 PolarHBondContact O-N 3.22Å; M373-T377 PolarHBondContact O-OG1 3.21Å; V374-T377 PolarHBondContact O-N 2.89Å; T377-A380 PolarHBondContact O-N 3.22Å; T377-L381 HydrophobicContact CG2-CD1 4.28Å; T377-L381 WeakPolarHBondContact O-CB 3.25Å; T377-L381 VanDerWaalsContact O-CG 3.28Å; T377-L381 WeakPolarHBondContact O-CG 3.27Å; T377-L381 PolarHBondContact O-N 3.18Å; T377-G529 VanDerWaalsContact OG1-C 3.22Å; T377-G529 WeakPolarHBondContact OG1-CA 3.26Å; T377-A530 HydrophobicContact CG2-CB 4.5Å; T377-I533 HydrophobicContact CG2-CD1 4.38Å; T377-I533 WeakPolarHBondContact OG1-CD1 3.37Å |
| 378 | L | 97.1 | Very high | 95 | Very high | 110 Ų | 110 | 34.3 Ų | 34.3 | 58% | 0.576 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -65.3 | -41.4 | 174.1 | -69.8 | 175.4 | 0 | 0 | 0 | 112.1 | V374 S375 F376 L381 G382 | V374-L378 HydrophobicContact CG1-CD1 3.91Å; V374-L378 HydrophobicContact CG1-CG 4.39Å; V374-L378 WeakPolarHBondContact O-CB 3.43Å; V374-L378 VanDerWaalsContact O-CG 3.32Å; V374-L378 WeakPolarHBondContact O-CG 3.47Å; V374-L378 PolarHBondContact O-N 3.5Å; S375-L378 PolarHBondContact O-N 2.95Å; F376-L378 VanDerWaalsContact C-N 3.34Å; F376-L378 PolarHBondContact O-N 2.9Å; L378-L381 PolarHBondContact O-N 3.29Å; L378-G382 PolarHBondContact O-N 3.44Å |
| 379 | S | 96.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.1 | -46.9 | 173.7 | -67.6 | 0 | 0 | 0 | 0 | 111.7 | S375 F376 L381 G382 I383 M395 L398 | S375-S379 WeakPolarHBondContact O-CB 3.03Å; S375-S379 PolarHBondContact O-N 3.15Å; S375-S379 PolarHBondContact O-OG 3.15Å; F376-S379 WeakPolarHBondContact O-CB 3.26Å; F376-S379 PolarHBondContact O-N 3.36Å; S379-L381 PolarHBondContact O-N 2.78Å; S379-G382 PolarHBondContact O-N 3.42Å; S379-I383 VanDerWaalsContact O-CG1 3.25Å; S379-I383 WeakPolarHBondContact O-CG1 3.48Å; S379-I383 PolarHBondContact O-N 3.17Å; S379-M395 WeakPolarHBondContact CB-O 3.41Å; S379-L398 WeakPolarHBondContact OG-CD2 3.32Å |
| 380 | A | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | F376 T377 I383 C384 I522 A526 | F376-A380 HydrophobicContact CE1-CB 4.43Å; F376-A380 WeakPolarHBondContact O-CB 3.39Å; F376-A380 PolarHBondContact O-N 3.18Å; T377-A380 PolarHBondContact O-N 3.22Å; A380-I383 PolarHBondContact O-N 3.25Å; A380-C384 WeakPolarHBondContact O-CB 3.17Å; A380-C384 PolarHBondContact O-N 3.3Å; A380-I522 HydrophobicContact CB-CG2 4.48Å; A380-I522 VanDerWaalsContact O-CG2 3.28Å; A380-I522 WeakPolarHBondContact O-CG2 3.16Å; A380-A526 HydrophobicContact CB-CB 3.96Å |
| 381 | L | 95.7 | Very high | 94.5 | Very high | 78 Ų | 78 | 43.1 Ų | 43.1 | 41% | 0.408 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 172.8 | -72 | 170 | 0 | 0 | 0 | 111.7 | T377 L378 S379 I383 C384 L385 A526 | T377-L381 HydrophobicContact CG2-CD1 4.28Å; T377-L381 WeakPolarHBondContact O-CB 3.25Å; T377-L381 VanDerWaalsContact O-CG 3.28Å; T377-L381 WeakPolarHBondContact O-CG 3.27Å; T377-L381 PolarHBondContact O-N 3.18Å; L378-L381 PolarHBondContact O-N 3.29Å; S379-L381 PolarHBondContact O-N 2.78Å; L381-I383 VanDerWaalsContact C-N 3.33Å; L381-I383 PolarHBondContact O-N 3.35Å; L381-C384 PolarHBondContact O-N 3.02Å; L381-L385 VanDerWaalsContact O-CG 3.3Å; L381-L385 WeakPolarHBondContact O-CG 3.39Å; L381-L385 PolarHBondContact O-N 3.43Å; L381-A526 HydrophobicContact CD2-CB 3.84Å; L381-A526 HydrophobicContact CG-CB 3.96Å |
| 382 | G | 94.3 | Very high | 94.4 | Very high | 23 Ų | 23 | 41.6 Ų | 41.6 | 24% | 0.237 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.1 | -46.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L378 S379 L385 S386 | L378-G382 PolarHBondContact O-N 3.44Å; S379-G382 PolarHBondContact O-N 3.42Å; G382-L385 PolarHBondContact O-N 3.4Å; G382-S386 WeakPolarHBondContact O-CB 3.41Å; G382-S386 PolarHBondContact O-N 2.95Å; G382-S386 PolarHBondContact O-OG 3.45Å; G382-S386 VanDerWaalsContact O-OG 3.05Å |
| 383 | I | 94.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61 | -47.4 | 175.9 | -66.8 | 165.9 | 0 | 0 | 0 | 110.6 | F302 F309 S379 A380 L381 L385 S386 V392 M395 T396 I522 | F302-I383 HydrophobicContact CE2-CD1 3.53Å; F302-I383 HydrophobicContact CZ-CD1 3.88Å; F309-I383 HydrophobicContact CD1-CG2 4.24Å; F309-I383 HydrophobicContact CE1-CG2 3.55Å; F309-I383 HydrophobicContact CZ-CG2 4.17Å; S379-I383 VanDerWaalsContact O-CG1 3.25Å; S379-I383 WeakPolarHBondContact O-CG1 3.48Å; S379-I383 PolarHBondContact O-N 3.17Å; A380-I383 PolarHBondContact O-N 3.25Å; L381-I383 VanDerWaalsContact C-N 3.33Å; L381-I383 PolarHBondContact O-N 3.35Å; I383-L385 VanDerWaalsContact C-N 3.28Å; I383-L385 PolarHBondContact O-N 3.29Å; I383-S386 WeakPolarHBondContact CA-OG 3.25Å; I383-S386 PolarHBondContact O-N 2.91Å; I383-S386 PolarHBondContact O-OG 3.39Å; I383-V392 HydrophobicContact CG2-CG1 4.08Å; I383-V392 HydrophobicContact CG2-CG2 4.45Å; I383-M395 HydrophobicContact CD1-CB 3.99Å; I383-M395 HydrophobicContact CG1-CB 3.53Å; I383-M395 HydrophobicContact CG1-CG 4.49Å; I383-T396 WeakPolarHBondContact CD1-OG1 3.47Å; I383-I522 HydrophobicContact CB-CG2 4.13Å; I383-I522 HydrophobicContact CG2-CG1 4.38Å; I383-I522 HydrophobicContact CG2-CG2 3.95Å |
| 384 | C | 91.6 | Very high | 94.2 | Very high | 35 Ų | 35 | 45.2 Ų | 45.2 | 24% | 0.236 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.2 | -33.3 | -178.1 | -170.5 | 0 | 0 | 0 | 0 | 113.2 | A380 L381 I522 | A380-C384 WeakPolarHBondContact O-CB 3.17Å; A380-C384 PolarHBondContact O-N 3.3Å; L381-C384 PolarHBondContact O-N 3.02Å; C384-I522 HydrophobicContact CB-CB 4.46Å; C384-I522 HydrophobicContact CB-CG2 4.01Å |
| 385 | L | 92.2 | Very high | 94.1 | Very high | 150 Ų | 150 | 45.4 Ų | 45.4 | 79% | 0.785 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -92.1 | -11.6 | -178.8 | -62.4 | 174.6 | 0 | 0 | 0 | 113 | L381 G382 I383 | L381-L385 VanDerWaalsContact O-CG 3.3Å; L381-L385 WeakPolarHBondContact O-CG 3.39Å; L381-L385 PolarHBondContact O-N 3.43Å; G382-L385 PolarHBondContact O-N 3.4Å; I383-L385 VanDerWaalsContact C-N 3.28Å; I383-L385 PolarHBondContact O-N 3.29Å |
| 386 | S | 92.1 | Very high | 94 | Very high | 10 Ų | 10 | 44.3 Ų | 44.3 | 7% | 0.07 | 28% | 0.276 | C | S | . | . | trans | -91.9 | 131.6 | -175 | 65.1 | 0 | 0 | 0 | 0 | 113.1 | G382 I383 V392 | G382-S386 WeakPolarHBondContact O-CB 3.41Å; G382-S386 PolarHBondContact O-N 2.95Å; G382-S386 PolarHBondContact O-OG 3.45Å; G382-S386 VanDerWaalsContact O-OG 3.05Å; I383-S386 WeakPolarHBondContact CA-OG 3.25Å; I383-S386 PolarHBondContact O-N 2.91Å; I383-S386 PolarHBondContact O-OG 3.39Å; S386-V392 WeakPolarHBondContact OG-CG2 3.27Å | ||
| 387 | G | 86.8 | Confident | 93.9 | Very high | 71 Ų | 71 | 45 Ų | 45 | 73% | 0.732 | 28% | 0.282 | S | S | * | . | trans | -98.1 | 3.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L314 | L314-G387 WeakPolarHBondContact CD1-O 3.42Š| ||
| 388 | S | 92.6 | Very high | 93.8 | Very high | 56 Ų | 56 | 47.7 Ų | 47.7 | 39% | 0.392 | 30% | 0.295 | S | S | . | . | trans | -101.6 | 124.2 | -176.8 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | V390 M391 V392 | S388-V390 VanDerWaalsContact C-N 3.26Å; S388-V390 PolarHBondContact O-N 2.92Å; S388-M391 PolarHBondContact O-N 2.9Å; S388-M391 VanDerWaalsContact O-N 3.14Å; S388-V392 WeakPolarHBondContact O-CG2 3.5Å; S388-V392 PolarHBondContact O-N 3.49Å | ||
| 389 | V | 91.1 | Very high | 93.7 | Very high | 45 Ų | 45 | 42.4 Ų | 42.4 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -54.5 | -41.6 | 177.2 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | L314 Y315 V337 M391 V392 T393 | L314-V389 HydrophobicContact CD2-CB 4.24Å; L314-V389 HydrophobicContact CD2-CG2 3.74Å; L314-V389 HydrophobicContact CG-CG2 4.12Å; Y315-V389 HydrophobicContact CE2-CG1 4.32Å; Y315-V389 HydrophobicContact CE2-CG2 3.82Å; V337-V389 HydrophobicContact CG1-CG1 3.57Å; V389-M391 PolarHBondContact O-N 2.89Å; V389-V392 PolarHBondContact O-N 3.47Å; V389-T393 VanDerWaalsContact O-CB 3.3Å; V389-T393 WeakPolarHBondContact O-CB 3.5Å; V389-T393 PolarHBondContact O-N 3.29Å; V389-T393 PolarHBondContact O-OG1 3.02Å |
| 390 | V | 92.4 | Very high | 93.7 | Very high | 115 Ų | 115 | 42.4 Ų | 42.4 | 70% | 0.697 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64.8 | -43.3 | -179.5 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | S388 T393 A394 | S388-V390 VanDerWaalsContact C-N 3.26Å; S388-V390 PolarHBondContact O-N 2.92Å; V390-T393 PolarHBondContact O-N 2.91Å; V390-A394 WeakPolarHBondContact O-CB 3.4Å; V390-A394 PolarHBondContact O-N 3.44Å |
| 391 | M | 93.8 | Very high | 93.7 | Very high | 89 Ų | 89 | 43.5 Ų | 43.5 | 44% | 0.438 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.5 | -45 | 178.8 | -176.8 | 155.2 | 66.7 | 0 | 0 | 111.6 | S388 V389 T393 A394 M395 | S388-M391 PolarHBondContact O-N 2.9Å; S388-M391 VanDerWaalsContact O-N 3.14Å; V389-M391 PolarHBondContact O-N 2.89Å; M391-T393 VanDerWaalsContact C-N 3.3Å; M391-T393 PolarHBondContact O-N 3.24Å; M391-A394 PolarHBondContact O-N 3.41Å; M391-M395 HydrophobicContact CG-CG 4.36Å; M391-M395 WeakPolarHBondContact O-CB 3.42Å; M391-M395 VanDerWaalsContact O-CG 3.28Å; M391-M395 WeakPolarHBondContact O-CG 3.15Å; M391-M395 PolarHBondContact O-N 3.34Å |
| 392 | V | 94.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.3 | -46.7 | 175.2 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | Y306 V310 L314 I383 S386 S388 V389 M395 T396 | Y306-V392 HydrophobicContact CE2-CG1 3.84Å; V310-V392 HydrophobicContact CG2-CG1 4.27Å; L314-V392 HydrophobicContact CD1-CG2 4.42Å; L314-V392 HydrophobicContact CD2-CB 4.26Å; L314-V392 HydrophobicContact CD2-CG1 4.38Å; L314-V392 HydrophobicContact CD2-CG2 4.04Å; I383-V392 HydrophobicContact CG2-CG1 4.08Å; I383-V392 HydrophobicContact CG2-CG2 4.45Å; S386-V392 WeakPolarHBondContact OG-CG2 3.27Å; S388-V392 WeakPolarHBondContact O-CG2 3.5Å; S388-V392 PolarHBondContact O-N 3.49Å; V389-V392 PolarHBondContact O-N 3.47Å; V392-M395 PolarHBondContact O-N 3.04Å; V392-T396 WeakPolarHBondContact O-CB 3.46Å; V392-T396 PolarHBondContact O-N 2.89Å; V392-T396 PolarHBondContact O-OG1 3.05Å |
| 393 | T | 92.6 | Very high | 93.8 | Very high | 19 Ų | 19 | 40.3 Ų | 40.3 | 12% | 0.117 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66 | -44.1 | -179.1 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | L344 V389 V390 M391 T396 A397 | L344-T393 HydrophobicContact CD1-CG2 3.62Å; V389-T393 VanDerWaalsContact O-CB 3.3Å; V389-T393 WeakPolarHBondContact O-CB 3.5Å; V389-T393 PolarHBondContact O-N 3.29Å; V389-T393 PolarHBondContact O-OG1 3.02Å; V390-T393 PolarHBondContact O-N 2.91Å; M391-T393 VanDerWaalsContact C-N 3.3Å; M391-T393 PolarHBondContact O-N 3.24Å; T393-T396 WeakPolarHBondContact O-CB 3.47Å; T393-T396 PolarHBondContact O-N 3.25Å; T393-A397 PolarHBondContact O-N 3.42Å |
| 394 | A | 95.1 | Very high | 93.8 | Very high | 56 Ų | 56 | 40.3 Ų | 40.3 | 46% | 0.463 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.2 | -42.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V390 M391 T396 A397 L398 | V390-A394 WeakPolarHBondContact O-CB 3.4Å; V390-A394 PolarHBondContact O-N 3.44Å; M391-A394 PolarHBondContact O-N 3.41Å; A394-T396 VanDerWaalsContact C-N 3.34Å; A394-A397 PolarHBondContact O-N 3.3Å; A394-L398 PolarHBondContact O-N 2.93Å |
| 395 | M | 95.9 | Very high | 94 | Very high | 61 Ų | 61 | 38.6 Ų | 38.6 | 30% | 0.3 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.6 | -36.8 | 176.7 | -68.5 | -59.4 | 134.9 | 0 | 0 | 111.8 | S379 I383 M391 V392 L398 T399 | S379-M395 WeakPolarHBondContact CB-O 3.41Å; I383-M395 HydrophobicContact CD1-CB 3.99Å; I383-M395 HydrophobicContact CG1-CB 3.53Å; I383-M395 HydrophobicContact CG1-CG 4.49Å; M391-M395 HydrophobicContact CG-CG 4.36Å; M391-M395 WeakPolarHBondContact O-CB 3.42Å; M391-M395 VanDerWaalsContact O-CG 3.28Å; M391-M395 WeakPolarHBondContact O-CG 3.15Å; M391-M395 PolarHBondContact O-N 3.34Å; V392-M395 PolarHBondContact O-N 3.04Å; M395-L398 WeakPolarHBondContact O-CB 3.28Å; M395-L398 PolarHBondContact O-N 3.44Å; M395-L398 VanDerWaalsContact O-N 3.17Å; M395-T399 PolarHBondContact O-N 3.32Å |
| 396 | T | 94.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.2 | -46.1 | 174.1 | -60.4 | 0 | 0 | 0 | 0 | 110.8 | F302 Y306 G341 I383 V392 T393 A394 L398 T399 | F302-T396 HydrophobicContact CE1-CG2 3.96Å; F302-T396 HydrophobicContact CZ-CG2 3.65Å; Y306-T396 HydrophobicContact CD1-CG2 4.48Å; Y306-T396 HydrophobicContact CE1-CG2 3.82Å; Y306-T396 HydrophobicContact CE2-CG2 4.26Å; Y306-T396 WeakPolarHBondContact CE2-OG1 3.3Å; Y306-T396 PolarHBondContact OH-OG1 3.14Å; G341-T396 WeakPolarHBondContact O-CG2 3.31Å; I383-T396 WeakPolarHBondContact CD1-OG1 3.47Å; V392-T396 WeakPolarHBondContact O-CB 3.46Å; V392-T396 PolarHBondContact O-N 2.89Å; V392-T396 PolarHBondContact O-OG1 3.05Å; T393-T396 WeakPolarHBondContact O-CB 3.47Å; T393-T396 PolarHBondContact O-N 3.25Å; A394-T396 VanDerWaalsContact C-N 3.34Å; T396-L398 PolarHBondContact O-N 3.46Å; T396-T399 WeakPolarHBondContact O-CB 3.49Å; T396-T399 PolarHBondContact O-N 3.26Å; T396-T399 VanDerWaalsContact O-N 3.07Å; T396-T399 PolarHBondContact O-OG1 3.23Å |
| 397 | A | 95 | Very high | 94.2 | Very high | 14 Ų | 14 | 31.7 Ų | 31.7 | 12% | 0.116 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.6 | -39.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L344 T348 T393 A394 T399 G400 | L344-A397 HydrophobicContact CB-CB 3.85Å; T348-A397 VanDerWaalsContact CB-O 3.3Å; T348-A397 WeakPolarHBondContact CB-O 3.41Å; T348-A397 HydrophobicContact CG2-CB 4.01Å; T348-A397 WeakPolarHBondContact CG2-O 3.48Å; T348-A397 PolarHBondContact OG1-O 2.87Å; T393-A397 PolarHBondContact O-N 3.42Å; A394-A397 PolarHBondContact O-N 3.3Å; A397-T399 VanDerWaalsContact C-N 3.26Å; A397-T399 PolarHBondContact O-N 3.12Å; A397-G400 PolarHBondContact O-N 3.48Å |
| 398 | L | 95.6 | Very high | 94.6 | Very high | 67 Ų | 67 | 28.3 Ų | 28.3 | 35% | 0.351 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.5 | -26 | 179.6 | -174.2 | 58.1 | 0 | 0 | 0 | 113.6 | S379 A394 M395 T396 G400 F401 | S379-L398 WeakPolarHBondContact OG-CD2 3.32Å; A394-L398 PolarHBondContact O-N 2.93Å; M395-L398 WeakPolarHBondContact O-CB 3.28Å; M395-L398 PolarHBondContact O-N 3.44Å; M395-L398 VanDerWaalsContact O-N 3.17Å; T396-L398 PolarHBondContact O-N 3.46Å; L398-G400 PolarHBondContact O-N 3.3Å; L398-G400 VanDerWaalsContact O-N 3.12Å; L398-F401 PolarHBondContact O-N 2.87Å |
| 399 | T | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.9 | -20.8 | 177.5 | 69.7 | 0 | 0 | 0 | 0 | 113.4 | F302 Q345 F376 M395 T396 A397 F401 A402 Y403 | F302-T399 HydrophobicContact CE1-CG2 4.17Å; F302-T399 HydrophobicContact CZ-CG2 4.35Å; Q345-T399 VanDerWaalsContact CD-OG1 3.29Å; Q345-T399 WeakPolarHBondContact CG-OG1 3.39Å; F376-T399 HydrophobicContact CD2-CG2 3.91Å; F376-T399 HydrophobicContact CE2-CG2 3.97Å; M395-T399 PolarHBondContact O-N 3.32Å; T396-T399 WeakPolarHBondContact O-CB 3.49Å; T396-T399 PolarHBondContact O-N 3.26Å; T396-T399 VanDerWaalsContact O-N 3.07Å; T396-T399 PolarHBondContact O-OG1 3.23Å; A397-T399 VanDerWaalsContact C-N 3.26Å; A397-T399 PolarHBondContact O-N 3.12Å; T399-F401 PolarHBondContact O-N 3.06Å; T399-F401 VanDerWaalsContact O-N 3.13Å; T399-A402 PolarHBondContact O-N 3.13Å; T399-Y403 PolarHBondContact O-N 3.25Å |
| 400 | G | 95.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.1 | -23.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q345 S349 A397 L398 Y403 A404 | Q345-G400 WeakPolarHBondContact O-CA 3.45Å; S349-G400 WeakPolarHBondContact CA-O 3.3Å; S349-G400 WeakPolarHBondContact CB-O 2.93Å; S349-G400 PolarHBondContact OG-O 3.21Å; A397-G400 PolarHBondContact O-N 3.48Å; L398-G400 PolarHBondContact O-N 3.3Å; L398-G400 VanDerWaalsContact O-N 3.12Å; G400-Y403 PolarHBondContact O-N 3.32Å; G400-A404 WeakPolarHBondContact O-CB 3.08Å; G400-A404 PolarHBondContact O-N 3.36Å |
| 401 | F | 96.4 | Very high | 94.9 | Very high | 24 Ų | 24 | 18.7 Ų | 18.7 | 11% | 0.105 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.4 | -43.7 | 173.3 | 178.8 | -139.9 | 0 | 0 | 0 | 112.5 | F352 L359 V368 L398 T399 T405 | F352-F401 HydrophobicContact CB-CD2 4.06Å; F352-F401 HydrophobicContact CD1-CB 4.43Å; F352-F401 AromaticContact CD1-CD2 3.44Å; F352-F401 HydrophobicContact CD1-CD2 3.44Å; F352-F401 VanDerWaalsContact CD1-CD2 3.44Å; F352-F401 HydrophobicContact CD1-CE2 4.01Å; F352-F401 HydrophobicContact CD1-CG 4.13Å; F352-F401 HydrophobicContact CD2-CB 3.65Å; F352-F401 HydrophobicContact CD2-CD2 4.1Å; F352-F401 HydrophobicContact CD2-CG 4.23Å; F352-F401 HydrophobicContact CE1-CB 4.41Å; F352-F401 AromaticContact CE1-CD2 3.83Å; F352-F401 HydrophobicContact CE1-CD2 3.83Å; F352-F401 HydrophobicContact CE1-CE2 4.37Å; F352-F401 HydrophobicContact CE1-CG 4.12Å; F352-F401 HydrophobicContact CE2-CB 3.64Å; F352-F401 HydrophobicContact CE2-CD2 4.44Å; F352-F401 HydrophobicContact CE2-CG 4.24Å; F352-F401 HydrophobicContact CG-CB 4.08Å; F352-F401 AromaticContact CG-CD2 3.6Å; F352-F401 HydrophobicContact CG-CD2 3.6Å; F352-F401 HydrophobicContact CG-CG 4.19Å; F352-F401 HydrophobicContact CZ-CB 4.03Å; F352-F401 HydrophobicContact CZ-CD2 4.32Å; F352-F401 HydrophobicContact CZ-CG 4.18Å; L359-F401 HydrophobicContact CD2-CE2 3.83Å; L359-F401 HydrophobicContact CD2-CZ 4.06Å; V368-F401 HydrophobicContact CG1-CE2 4.5Å; V368-F401 HydrophobicContact CG1-CZ 4.4Å; L398-F401 PolarHBondContact O-N 2.87Å; T399-F401 PolarHBondContact O-N 3.06Å; T399-F401 VanDerWaalsContact O-N 3.13Å; F401-T405 WeakPolarHBondContact CE2-OG1 3.43Å; F401-T405 WeakPolarHBondContact O-CB 3.39Å; F401-T405 PolarHBondContact O-N 2.91Å; F401-T405 PolarHBondContact O-OG1 2.63Å |
| 402 | A | 96.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68 | -40.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | M373 F376 T399 A404 T405 L406 | M373-A402 HydrophobicContact CE-CB 4.43Å; F376-A402 HydrophobicContact CB-CB 3.7Å; F376-A402 HydrophobicContact CD2-CB 4.07Å; F376-A402 HydrophobicContact CG-CB 4.19Å; T399-A402 PolarHBondContact O-N 3.13Å; A402-A404 PolarHBondContact O-N 3.39Å; A402-T405 PolarHBondContact O-N 2.67Å; A402-L406 WeakPolarHBondContact O-CB 3.32Å; A402-L406 WeakPolarHBondContact O-CG 3.15Å; A402-L406 PolarHBondContact O-N 2.9Å |
| 403 | Y | 95.1 | Very high | 94.7 | Very high | 32 Ų | 32 | 16 Ų | 16 | 13% | 0.125 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.1 | -48.2 | 175.2 | -169.5 | -93.1 | 0 | 0 | 0 | 111.8 | W296 V299 M303 S349 T399 G400 T405 L406 Q407 | W296-Y403 AromaticContact CH2-CD2 3.97Å; W296-Y403 HydrophobicContact CH2-CD2 3.97Å; W296-Y403 AromaticContact CH2-CE2 3.87Å; W296-Y403 HydrophobicContact CH2-CE2 3.87Å; W296-Y403 AromaticContact CZ3-CD2 3.7Å; W296-Y403 HydrophobicContact CZ3-CD2 3.7Å; W296-Y403 AromaticContact CZ3-CE2 3.65Å; W296-Y403 HydrophobicContact CZ3-CE2 3.65Å; V299-Y403 HydrophobicContact CG1-CD2 3.94Å; M303-Y403 HydrophobicContact CE-CD2 4.07Å; M303-Y403 HydrophobicContact CE-CE2 3.81Å; M303-Y403 HydrophobicContact SD-CD2 3.86Å; M303-Y403 HydrophobicContact SD-CE2 3.78Å; S349-Y403 WeakPolarHBondContact OG-CD1 3.33Å; T399-Y403 PolarHBondContact O-N 3.25Å; G400-Y403 PolarHBondContact O-N 3.32Å; Y403-T405 VanDerWaalsContact C-N 3.32Å; Y403-T405 PolarHBondContact O-N 3.28Å; Y403-L406 PolarHBondContact O-N 2.88Å; Y403-Q407 PolarHBondContact O-N 3.4Å; Y403-Q407 PolarHBondContact OH-NE2 3.05Å; Y403-Q407 VanDerWaalsContact OH-NE2 3.07Å |
| 404 | A | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S349 F352 S353 M356 G400 A402 T408 | S349-A404 WeakPolarHBondContact OG-CB 3.25Å; S349-A404 PolarHBondContact OG-N 3.43Å; F352-A404 HydrophobicContact CB-CB 3.92Å; S353-A404 WeakPolarHBondContact OG-CB 3.38Å; M356-A404 HydrophobicContact CE-CB 4Å; G400-A404 WeakPolarHBondContact O-CB 3.08Å; G400-A404 PolarHBondContact O-N 3.36Å; A402-A404 PolarHBondContact O-N 3.39Å; A404-T408 PolarHBondContact O-N 3.16Å; A404-T408 PolarHBondContact O-OG1 3.4Å |
| 405 | T | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.1 | -43 | -178 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | V368 Y369 S372 F401 A402 Y403 Q407 T408 V409 | V368-T405 HydrophobicContact CG1-CG2 4.07Å; Y369-T405 HydrophobicContact CD2-CG2 4.46Å; S372-T405 WeakPolarHBondContact CB-OG1 3.49Å; S372-T405 WeakPolarHBondContact OG-CB 3.46Å; S372-T405 WeakPolarHBondContact OG-CG2 3.45Å; F401-T405 WeakPolarHBondContact CE2-OG1 3.43Å; F401-T405 WeakPolarHBondContact O-CB 3.39Å; F401-T405 PolarHBondContact O-N 2.91Å; F401-T405 PolarHBondContact O-OG1 2.63Å; A402-T405 PolarHBondContact O-N 2.67Å; Y403-T405 VanDerWaalsContact C-N 3.32Å; Y403-T405 PolarHBondContact O-N 3.28Å; T405-Q407 VanDerWaalsContact C-N 3.31Å; T405-Q407 PolarHBondContact O-N 3.2Å; T405-T408 PolarHBondContact O-N 3.5Å; T405-T408 VanDerWaalsContact O-N 3.14Å; T405-V409 HydrophobicContact CG2-CB 4.3Å; T405-V409 HydrophobicContact CG2-CG2 3.66Å; T405-V409 PolarHBondContact O-N 3.32Å |
| 406 | L | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65.9 | -30.6 | 179.7 | -77.1 | 176.8 | 0 | 0 | 0 | 114 | Q292 W296 V299 Y369 M373 A402 Y403 T408 P410 | Q292-L406 PolarHBondContact NE2-O 2.86Å; Q292-L406 VanDerWaalsContact OE1-CD2 3.26Å; W296-L406 HydrophobicContact CD2-CB 4.33Å; W296-L406 HydrophobicContact CD2-CD1 3.73Å; W296-L406 HydrophobicContact CE3-CD1 3.99Å; W296-L406 HydrophobicContact CG-CD1 4.1Å; W296-L406 HydrophobicContact CH2-CB 4.1Å; W296-L406 HydrophobicContact CZ2-CB 3.51Å; W296-L406 HydrophobicContact CZ2-CD1 4.33Å; W296-L406 HydrophobicContact CZ3-CD1 4.38Å; V299-L406 HydrophobicContact CB-CD1 4.42Å; V299-L406 HydrophobicContact CG2-CD1 3.81Å; Y369-L406 HydrophobicContact CE2-CD2 4.03Å; Y369-L406 WeakPolarHBondContact OH-CD2 3.18Å; M373-L406 HydrophobicContact CE-CD1 3.73Å; M373-L406 HydrophobicContact CE-CD2 3.41Å; M373-L406 VanDerWaalsContact CE-CD2 3.41Å; M373-L406 HydrophobicContact CE-CG 3.45Å; M373-L406 VanDerWaalsContact CE-CG 3.45Å; A402-L406 WeakPolarHBondContact O-CB 3.32Å; A402-L406 WeakPolarHBondContact O-CG 3.15Å; A402-L406 PolarHBondContact O-N 2.9Å; Y403-L406 PolarHBondContact O-N 2.88Å; L406-T408 VanDerWaalsContact C-N 3.34Å; L406-P410 VanDerWaalsContact O-CD 3.28Å; L406-P410 WeakPolarHBondContact O-CD 3.39Å; L406-P410 WeakPolarHBondContact O-CG 3.08Å |
| 407 | Q | 93 | Very high | 93.8 | Very high | 15 Ų | 15 | 12.3 Ų | 12.3 | 7% | 0.07 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -79.4 | -15.6 | 174.7 | -68.9 | -172.8 | -2.4 | 0 | 0 | 113.7 | S157 W296 Y403 T405 Y411 | S157-Q407 PolarHBondContact OG-OE1 2.81Å; W296-Q407 HydrophobicContact CH2-CG 3.9Å; W296-Q407 HydrophobicContact CZ2-CG 3.95Å; Y403-Q407 PolarHBondContact O-N 3.4Å; Y403-Q407 PolarHBondContact OH-NE2 3.05Å; Y403-Q407 VanDerWaalsContact OH-NE2 3.07Å; T405-Q407 VanDerWaalsContact C-N 3.31Å; T405-Q407 PolarHBondContact O-N 3.2Å; Q407-Y411 VanDerWaalsContact O-CD2 3.24Å; Q407-Y411 WeakPolarHBondContact O-CD2 3.15Å |
| 408 | T | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -110.2 | -52.8 | -174 | -52.6 | 0 | 0 | 0 | 0 | 113 | F153 A154 S157 M356 L360 A404 T405 L406 T412 | F153-T408 HydrophobicContact CB-CG2 4.05Å; A154-T408 HydrophobicContact CB-CG2 4.17Å; S157-T408 WeakPolarHBondContact CB-OG1 3.33Å; M356-T408 HydrophobicContact CG-CG2 3.64Å; L360-T408 HydrophobicContact CD1-CG2 4.31Å; A404-T408 PolarHBondContact O-N 3.16Å; A404-T408 PolarHBondContact O-OG1 3.4Å; T405-T408 PolarHBondContact O-N 3.5Å; T405-T408 VanDerWaalsContact O-N 3.14Å; L406-T408 VanDerWaalsContact C-N 3.34Å; T408-T412 WeakPolarHBondContact O-CB 3.44Å; T408-T412 PolarHBondContact O-N 3.12Å; T408-T412 PolarHBondContact O-OG1 2.93Å |
| 409 | V | 94.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 14.8 Ų | 14.8 | 2% | 0.018 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -70.3 | -47.8 | -166.1 | 178.8 | 0 | 0 | 0 | 0 | 113.2 | M356 L360 P365 Y369 T405 Y411 T412 L413 F541 | M356-V409 HydrophobicContact SD-CG2 4.46Å; L360-V409 HydrophobicContact CD1-CG2 4.41Å; L360-V409 HydrophobicContact CD2-CG2 3.66Å; P365-V409 HydrophobicContact CB-CG1 4.21Å; Y369-V409 HydrophobicContact CD2-CB 4.15Å; Y369-V409 HydrophobicContact CD2-CG1 3.97Å; T405-V409 HydrophobicContact CG2-CB 4.3Å; T405-V409 HydrophobicContact CG2-CG2 3.66Å; T405-V409 PolarHBondContact O-N 3.32Å; V409-Y411 VanDerWaalsContact C-N 3.3Å; V409-Y411 PolarHBondContact O-N 2.97Å; V409-T412 PolarHBondContact O-N 3.02Å; V409-L413 VanDerWaalsContact O-CB 3.29Å; V409-L413 WeakPolarHBondContact O-CB 3.5Å; V409-L413 PolarHBondContact O-N 2.97Å; V409-F541 HydrophobicContact CG1-CE1 4.49Å |
| 410 | P | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.8 | -40.8 | -179.9 | -25.7 | 37 | 0 | 0 | 0 | 112.9 | L288 Y369 L406 L413 T414 L493 | L288-P410 HydrophobicContact CD1-CB 4.29Å; Y369-P410 HydrophobicContact CE2-CG 4.01Å; L406-P410 VanDerWaalsContact O-CD 3.28Å; L406-P410 WeakPolarHBondContact O-CD 3.39Å; L406-P410 WeakPolarHBondContact O-CG 3.08Å; P410-L413 PolarHBondContact O-N 2.93Å; P410-T414 WeakPolarHBondContact O-CB 3.45Å; P410-T414 PolarHBondContact O-N 3.21Å; P410-T414 PolarHBondContact O-OG1 3.21Å; P410-L493 HydrophobicContact CB-CD2 3.69Å |
| 411 | Y | 93.8 | Very high | 91.6 | Very high | 10 Ų | 10 | 21.9 Ų | 21.9 | 4% | 0.039 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70.9 | -42.9 | 179.2 | -59.8 | -84.6 | 0 | 0 | 0 | 111.7 | E136 F153 Q407 V409 L413 T414 C415 F490 L493 D494 | E136-Y411 VanDerWaalsContact CD-CE1 3.45Å; E136-Y411 WeakPolarHBondContact OE2-CD1 3.42Å; E136-Y411 WeakPolarHBondContact OE2-CE1 3.29Å; F153-Y411 HydrophobicContact CD1-CG 4.17Å; F153-Y411 VanDerWaalsContact CE1-CB 3.44Å; F153-Y411 HydrophobicContact CE1-CD1 4.28Å; F153-Y411 AromaticContact CE1-CG 4Å; F153-Y411 HydrophobicContact CE1-CG 4Å; Q407-Y411 VanDerWaalsContact O-CD2 3.24Å; Q407-Y411 WeakPolarHBondContact O-CD2 3.15Å; V409-Y411 VanDerWaalsContact C-N 3.3Å; V409-Y411 PolarHBondContact O-N 2.97Å; Y411-L413 VanDerWaalsContact C-N 3.3Å; Y411-L413 PolarHBondContact O-N 2.64Å; Y411-T414 WeakPolarHBondContact O-CB 3.47Å; Y411-T414 PolarHBondContact O-N 3.35Å; Y411-C415 PolarHBondContact O-N 2.9Å; Y411-C415 PolarHBondContact O-SG 2.97Å; Y411-F490 AromaticContact CD1-CD1 3.61Å; Y411-F490 HydrophobicContact CD1-CD1 3.61Å; Y411-F490 AromaticContact CD1-CE1 3.88Å; Y411-F490 HydrophobicContact CD1-CE1 3.88Å; Y411-F490 HydrophobicContact CD1-CG 4.4Å; Y411-F490 HydrophobicContact CE1-CD1 4.32Å; Y411-F490 HydrophobicContact CG-CE1 4.49Å; Y411-L493 HydrophobicContact CE1-CB 4.14Å; Y411-D494 WeakPolarHBondContact CE1-OD1 3.45Å; Y411-D494 PolarHBondContact OH-OD1 2.98Å |
| 412 | T | 92.1 | Very high | 90.5 | Very high | 27 Ų | 27 | 28.9 Ų | 28.9 | 17% | 0.166 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.1 | -41.5 | 173.3 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | T408 V409 T414 C415 H416 | T408-T412 WeakPolarHBondContact O-CB 3.44Å; T408-T412 PolarHBondContact O-N 3.12Å; T408-T412 PolarHBondContact O-OG1 2.93Å; V409-T412 PolarHBondContact O-N 3.02Å; T412-T414 VanDerWaalsContact C-N 3.34Å; T412-C415 WeakPolarHBondContact O-CB 3.4Å; T412-C415 PolarHBondContact O-N 2.63Å; T412-H416 PolarHBondContact O-N 2.81Å |
| 413 | L | 91.5 | Very high | 89.5 | Confident | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.042 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.2 | -35.1 | 178.4 | -168.9 | 65 | 0 | 0 | 0 | 111.8 | L288 V409 P410 Y411 C415 H416 Y417 I539 F541 | L288-L413 HydrophobicContact CD1-CD2 4.04Å; L288-L413 HydrophobicContact CD2-CD2 4.3Å; V409-L413 VanDerWaalsContact O-CB 3.29Å; V409-L413 WeakPolarHBondContact O-CB 3.5Å; V409-L413 PolarHBondContact O-N 2.97Å; P410-L413 PolarHBondContact O-N 2.93Å; Y411-L413 VanDerWaalsContact C-N 3.3Å; Y411-L413 PolarHBondContact O-N 2.64Å; L413-C415 VanDerWaalsContact C-N 3.35Å; L413-H416 WeakPolarHBondContact O-CB 3.34Å; L413-H416 PolarHBondContact O-N 3.02Å; L413-Y417 HydrophobicContact CD1-CE1 3.93Å; L413-Y417 HydrophobicContact CD2-CE1 4.43Å; L413-Y417 HydrophobicContact CD2-CE2 4.2Å; L413-Y417 WeakPolarHBondContact CD2-OH 3.38Å; L413-Y417 HydrophobicContact CG-CE1 3.84Å; L413-Y417 HydrophobicContact CG-CE2 3.88Å; L413-Y417 VanDerWaalsContact CG-CZ 3.45Å; L413-Y417 WeakPolarHBondContact CG-OH 3.44Å; L413-Y417 WeakPolarHBondContact O-CD2 3.3Å; L413-Y417 VanDerWaalsContact O-CG 3.27Å; L413-Y417 PolarHBondContact O-N 3.34Å; L413-I539 HydrophobicContact CD2-CG2 3.65Å; L413-F541 HydrophobicContact CD1-CD1 4.34Å; L413-F541 HydrophobicContact CD2-CD1 4.15Å; L413-F541 HydrophobicContact CD2-CE1 4.2Å |
| 414 | T | 91.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.2 | -38 | 174.9 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | P410 Y411 T412 H416 Y417 H418 D489 F490 L493 | P410-T414 WeakPolarHBondContact O-CB 3.45Å; P410-T414 PolarHBondContact O-N 3.21Å; P410-T414 PolarHBondContact O-OG1 3.21Å; Y411-T414 WeakPolarHBondContact O-CB 3.47Å; Y411-T414 PolarHBondContact O-N 3.35Å; T412-T414 VanDerWaalsContact C-N 3.34Å; T414-H416 VanDerWaalsContact C-N 3.34Å; T414-Y417 PolarHBondContact O-N 3.39Å; T414-H418 PolarHBondContact O-N 2.89Å; T414-H418 VanDerWaalsContact O-N 3.14Å; T414-H418 PolarHBondContact O-ND1 3Å; T414-D489 HydrophobicContact CG2-CB 3.98Å; T414-F490 HydrophobicContact CG2-CD1 3.98Å; T414-F490 HydrophobicContact CG2-CE1 3.84Å; T414-L493 HydrophobicContact CG2-CD1 3.93Å; T414-L493 WeakPolarHBondContact OG1-CD1 3.38Å |
| 415 | C | 89.8 | Confident | 87.9 | Confident | 22 Ų | 22 | 32.2 Ų | 32.2 | 15% | 0.149 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.3 | -43.6 | 169.7 | -69.4 | 0 | 0 | 0 | 0 | 111.9 | C149 Y411 T412 L413 Y417 H418 K419 | C149-C415 WeakPolarHBondContact SG-CB 3.35Å; C149-C415 PolarHBondContact SG-SG 3.34Å; Y411-C415 PolarHBondContact O-N 2.9Å; Y411-C415 PolarHBondContact O-SG 2.97Å; T412-C415 WeakPolarHBondContact O-CB 3.4Å; T412-C415 PolarHBondContact O-N 2.63Å; L413-C415 VanDerWaalsContact C-N 3.35Å; C415-Y417 PolarHBondContact O-N 3.36Å; C415-H418 PolarHBondContact O-N 2.91Å; C415-H418 VanDerWaalsContact O-N 3.17Å; C415-K419 PolarHBondContact O-N 2.97Å |
| 416 | H | 89.1 | Confident | 86.4 | Confident | 36 Ų | 36 | 35.6 Ų | 35.6 | 17% | 0.167 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.7 | -47.4 | 176.7 | -176.6 | -87 | 0 | 0 | 0 | 111.8 | E146 T412 L413 T414 H418 K419 E420 Y424 | E146-H416 VanDerWaalsContact CD-CD2 3.47Å; E146-H416 IonicContact OE1-CD2 3.62Å; E146-H416 IonicContact OE1-NE2 3.42Å; E146-H416 IonicContact OE2-CD2 3.73Å; T412-H416 PolarHBondContact O-N 2.81Å; L413-H416 WeakPolarHBondContact O-CB 3.34Å; L413-H416 PolarHBondContact O-N 3.02Å; T414-H416 VanDerWaalsContact C-N 3.34Å; H416-H418 VanDerWaalsContact C-N 3.26Å; H416-H418 PolarHBondContact O-N 3.35Å; H416-K419 WeakPolarHBondContact O-CB 3.42Å; H416-K419 PolarHBondContact O-N 2.91Å; H416-K419 VanDerWaalsContact O-N 3.14Å; H416-E420 PolarHBondContact O-N 3.35Å; H416-Y424 AromaticContact CE1-CE2 3.66Å; H416-Y424 AromaticContact CE1-CZ 3.82Å; H416-Y424 PolarHBondContact CE1-OH 3.18Å; H416-Y424 AromaticContact ND1-CE2 3.81Å |
| 417 | Y | 89.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.5 | -33.8 | 176.2 | -58.6 | -30.1 | 0 | 0 | 0 | 113.4 | V284 I285 L288 L413 T414 C415 E420 K421 Y424 V540 | V284-Y417 HydrophobicContact CG1-CD1 3.89Å; V284-Y417 HydrophobicContact CG1-CD2 3.89Å; V284-Y417 HydrophobicContact CG1-CE1 3.46Å; V284-Y417 VanDerWaalsContact CG1-CE1 3.46Å; V284-Y417 HydrophobicContact CG1-CE2 3.46Å; V284-Y417 VanDerWaalsContact CG1-CE2 3.46Å; V284-Y417 HydrophobicContact CG1-CG 4.08Å; V284-Y417 WeakPolarHBondContact CG1-OH 3.44Å; I285-Y417 HydrophobicContact CG1-CD2 4.2Å; L288-Y417 HydrophobicContact CD2-CE2 3.91Å; L413-Y417 HydrophobicContact CD1-CE1 3.93Å; L413-Y417 HydrophobicContact CD2-CE1 4.43Å; L413-Y417 HydrophobicContact CD2-CE2 4.2Å; L413-Y417 WeakPolarHBondContact CD2-OH 3.38Å; L413-Y417 HydrophobicContact CG-CE1 3.84Å; L413-Y417 HydrophobicContact CG-CE2 3.88Å; L413-Y417 VanDerWaalsContact CG-CZ 3.45Å; L413-Y417 WeakPolarHBondContact CG-OH 3.44Å; L413-Y417 WeakPolarHBondContact O-CD2 3.3Å; L413-Y417 VanDerWaalsContact O-CG 3.27Å; L413-Y417 PolarHBondContact O-N 3.34Å; T414-Y417 PolarHBondContact O-N 3.39Å; C415-Y417 PolarHBondContact O-N 3.36Å; Y417-E420 CarbonylContact O-C 3.43Å; Y417-K421 PolarHBondContact O-N 2.91Å; Y417-Y424 AromaticContact CD1-CD1 3.76Å; Y417-Y424 HydrophobicContact CD1-CD1 3.76Å; Y417-Y424 HydrophobicContact CD1-CD2 4.16Å; Y417-Y424 HydrophobicContact CD1-CE1 4.16Å; Y417-Y424 AromaticContact CD1-CG 3.76Å; Y417-Y424 HydrophobicContact CD1-CG 3.76Å; Y417-Y424 AromaticContact CE1-CD1 3.98Å; Y417-Y424 HydrophobicContact CE1-CD1 3.98Å; Y417-Y424 HydrophobicContact CE1-CE1 4.15Å; Y417-Y424 HydrophobicContact CE1-CG 4.45Å; Y417-Y424 HydrophobicContact CG-CG 4.5Å; Y417-V540 WeakPolarHBondContact CE1-O 3.3Å; Y417-V540 PolarHBondContact OH-O 3.47Å |
| 418 | H | 87.2 | Confident | 82.4 | Confident | 17 Ų | 17 | 44 Ų | 44 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -79.3 | -20.5 | 178.2 | -81.2 | 85.5 | 0 | 0 | 0 | 114.3 | T414 C415 H416 K421 V486 D489 | T414-H418 PolarHBondContact O-N 2.89Å; T414-H418 VanDerWaalsContact O-N 3.14Å; T414-H418 PolarHBondContact O-ND1 3Å; C415-H418 PolarHBondContact O-N 2.91Å; C415-H418 VanDerWaalsContact O-N 3.17Å; H416-H418 VanDerWaalsContact C-N 3.26Å; H416-H418 PolarHBondContact O-N 3.35Å; H418-K421 WeakPolarHBondContact O-CE 3.47Å; H418-K421 WeakPolarHBondContact O-CG 3.41Å; H418-V486 HydrophobicContact CB-CG1 4.46Å; H418-V486 HydrophobicContact CB-CG2 4.11Å; H418-D489 IonicContact CE1-OD2 2.92Å; H418-D489 PolarHBondContact CE1-OD2 3.32Å; H418-D489 IonicContact NE2-OD2 3.07Å; H418-D489 PolarHBondContact NE2-OD2 3.45Å |
| 419 | K | 84.6 | Confident | 79.4 | Confident | 116 Ų | 116 | 53.7 Ų | 53.7 | 50% | 0.504 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -73.5 | -41.5 | 172.4 | -170.3 | 179.2 | 168.8 | -162.5 | 0 | 110.4 | E146 C415 H416 | E146-K419 HydrophobicContact CG-CD 4.02Å; E146-K419 WeakPolarHBondContact OE1-CD 3.47Å; E146-K419 IonicContact OE1-NZ 2.71Å; E146-K419 PolarHBondContact OE1-NZ 3.49Å; C415-K419 PolarHBondContact O-N 2.97Å; H416-K419 WeakPolarHBondContact O-CB 3.42Å; H416-K419 PolarHBondContact O-N 2.91Å; H416-K419 VanDerWaalsContact O-N 3.14Å |
| 420 | E | 83.1 | Confident | 76.3 | Confident | 58 Ų | 58 | 58.9 Ų | 58.9 | 27% | 0.271 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 53.6 | 178.5 | -63.7 | -170.9 | 175.6 | 0 | 0 | 112.3 | H416 Y417 E422 V423 Y424 Q543 | H416-E420 PolarHBondContact O-N 3.35Å; Y417-E420 CarbonylContact O-C 3.43Å; E420-E422 VanDerWaalsContact C-N 3.25Å; E420-E422 PolarHBondContact O-N 3.5Å; E420-V423 HydrophobicContact CB-CB 4.32Å; E420-V423 HydrophobicContact CB-CG2 4.45Å; E420-V423 PolarHBondContact O-N 2.93Å; E420-Y424 HydrophobicContact CB-CD2 3.74Å; E420-Y424 HydrophobicContact CB-CE2 3.9Å; E420-Y424 PolarHBondContact O-N 3.18Å; E420-Y424 VanDerWaalsContact O-N 3.09Å; E420-Y424 VanDerWaalsContact OE2-CE2 3.28Å; E420-Y424 WeakPolarHBondContact OE2-CE2 2.98Å; E420-Q543 PolarHBondContact OE2-NE2 3.21Å |
| 421 | K | 80.4 | Confident | 73.1 | Confident | 91 Ų | 91 | 70.9 Ų | 70.9 | 40% | 0.396 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -54.7 | -39.9 | -174.6 | -59 | -158.9 | 178.3 | -167.7 | 0 | 113.3 | Y417 H418 V423 L425 S426 R484 | Y417-K421 PolarHBondContact O-N 2.91Å; H418-K421 WeakPolarHBondContact O-CE 3.47Å; H418-K421 WeakPolarHBondContact O-CG 3.41Å; K421-V423 PolarHBondContact O-N 3.45Å; K421-L425 HydrophobicContact CB-CD1 4.29Å; K421-L425 HydrophobicContact CD-CD1 4.43Å; K421-L425 HydrophobicContact CG-CD1 4.09Å; K421-L425 CarbonylContact O-C 3.51Å; K421-L425 WeakPolarHBondContact O-CA 3.43Å; K421-L425 WeakPolarHBondContact O-CB 3.41Å; K421-L425 PolarHBondContact O-N 2.94Å; K421-S426 PolarHBondContact O-N 3.22Å; K421-R484 PolarHBondContact NZ-O 3.34Å |
| 422 | E | 73.4 | Confident | 69.9 | Low | 171 Ų | 171 | 77 Ų | 77 | 80% | 0.799 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.9 | -26.4 | -177.7 | -62.1 | -169.9 | 172.1 | 0 | 0 | 112.6 | E420 S426 | E420-E422 VanDerWaalsContact C-N 3.25Å; E420-E422 PolarHBondContact O-N 3.5Å; E422-S426 WeakPolarHBondContact O-CB 3.45Å; E422-S426 PolarHBondContact O-OG 2.55Å |
| 423 | V | 75.9 | Confident | 66.8 | Low | 66 Ų | 66 | 80.6 Ų | 80.6 | 40% | 0.4 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -88.7 | -48.5 | -179.3 | -178 | 0 | 0 | 0 | 0 | 110.8 | E420 K421 Q543 L546 | E420-V423 HydrophobicContact CB-CB 4.32Å; E420-V423 HydrophobicContact CB-CG2 4.45Å; E420-V423 PolarHBondContact O-N 2.93Å; K421-V423 PolarHBondContact O-N 3.45Å; V423-Q543 HydrophobicContact CG1-CG 4.03Å; V423-L546 HydrophobicContact CG1-CD1 3.67Å |
| 424 | Y | 78.4 | Confident | 63.8 | Low | 9 Ų | 9 | 89 Ų | 89 | 4% | 0.035 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -95.4 | -26.3 | -171.3 | -67.6 | -78.8 | 0 | 0 | 0 | 114.9 | V284 H416 Y417 E420 V540 Q543 L546 | V284-Y424 HydrophobicContact CG1-CD1 4.23Å; V284-Y424 HydrophobicContact CG2-CD1 4.38Å; V284-Y424 WeakPolarHBondContact CG2-O 3.44Å; H416-Y424 AromaticContact CE1-CE2 3.66Å; H416-Y424 AromaticContact CE1-CZ 3.82Å; H416-Y424 PolarHBondContact CE1-OH 3.18Å; H416-Y424 AromaticContact ND1-CE2 3.81Å; Y417-Y424 AromaticContact CD1-CD1 3.76Å; Y417-Y424 HydrophobicContact CD1-CD1 3.76Å; Y417-Y424 HydrophobicContact CD1-CD2 4.16Å; Y417-Y424 HydrophobicContact CD1-CE1 4.16Å; Y417-Y424 AromaticContact CD1-CG 3.76Å; Y417-Y424 HydrophobicContact CD1-CG 3.76Å; Y417-Y424 AromaticContact CE1-CD1 3.98Å; Y417-Y424 HydrophobicContact CE1-CD1 3.98Å; Y417-Y424 HydrophobicContact CE1-CE1 4.15Å; Y417-Y424 HydrophobicContact CE1-CG 4.45Å; Y417-Y424 HydrophobicContact CG-CG 4.5Å; E420-Y424 HydrophobicContact CB-CD2 3.74Å; E420-Y424 HydrophobicContact CB-CE2 3.9Å; E420-Y424 PolarHBondContact O-N 3.18Å; E420-Y424 VanDerWaalsContact O-N 3.09Å; E420-Y424 VanDerWaalsContact OE2-CE2 3.28Å; E420-Y424 WeakPolarHBondContact OE2-CE2 2.98Å; Y424-V540 HydrophobicContact CD1-CG1 4.14Å; Y424-V540 HydrophobicContact CE1-CG1 3.71Å; Y424-Q543 HydrophobicContact CE2-CG 4.35Å; Y424-Q543 WeakPolarHBondContact OH-CG 3.44Å; Y424-Q543 PolarHBondContact OH-N 2.92Å; Y424-Q543 VanDerWaalsContact OH-N 3.13Å; Y424-L546 HydrophobicContact CD1-CD1 3.82Å; Y424-L546 HydrophobicContact CD1-CD2 4.1Å; Y424-L546 HydrophobicContact CD1-CG 4.24Å; Y424-L546 HydrophobicContact CE1-CD1 3.77Å; Y424-L546 HydrophobicContact CE1-CD2 4.44Å; Y424-L546 HydrophobicContact CE1-CG 4.14Å |
| 425 | L | 78 | Confident | 60.8 | Low | 28 Ų | 28 | 93 Ų | 93 | 15% | 0.147 | 50% | 0.501 | C | S | . | . | S | Bend | trans | -115.2 | 2 | -170.7 | -54.4 | 175.2 | 0 | 0 | 0 | 113.5 | P282 I285 K421 | P282-L425 HydrophobicContact CB-CD2 4.01Å; P282-L425 HydrophobicContact CG-CD2 3.86Å; I285-L425 HydrophobicContact CD1-CD2 3.83Å; I285-L425 HydrophobicContact CG1-CD2 4.01Å; K421-L425 HydrophobicContact CB-CD1 4.29Å; K421-L425 HydrophobicContact CD-CD1 4.43Å; K421-L425 HydrophobicContact CG-CD1 4.09Å; K421-L425 CarbonylContact O-C 3.51Å; K421-L425 WeakPolarHBondContact O-CA 3.43Å; K421-L425 WeakPolarHBondContact O-CB 3.41Å; K421-L425 PolarHBondContact O-N 2.94Å |
| 426 | S | 64.6 | Low | 57.9 | Low | 70 Ų | 70 | 98.7 Ų | 98.7 | 49% | 0.49 | 53% | 0.53 | S | S | . | . | trans | -62.2 | 127.3 | 177 | -79.8 | 0 | 0 | 0 | 0 | 111.4 | K421 E422 G428 | K421-S426 PolarHBondContact O-N 3.22Å; E422-S426 WeakPolarHBondContact O-CB 3.45Å; E422-S426 PolarHBondContact O-OG 2.55Å; S426-G428 PolarHBondContact O-N 2.88Å; S426-G428 VanDerWaalsContact O-N 3.07Å | ||
| 427 | P | 56.3 | Low | 54.8 | Low | 123 Ų | 123 | 105.1 Ų | 105.1 | 80% | 0.799 | 57% | 0.566 | S | S | * | * | trans | -63.5 | 114.9 | 169 | 26.1 | -29.9 | 0 | 0 | 0 | 106.9 | K429 | P427-K429 PolarHBondContact O-N 2.99Š| ||
| 428 | G | 47.9 | Very low | 52 | Low | 70 Ų | 70 | 111.4 Ų | 111.4 | 72% | 0.722 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 126.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S426 | S426-G428 PolarHBondContact O-N 2.88Å; S426-G428 VanDerWaalsContact O-N 3.07Å |
| 429 | K | 31.2 | Very low | 49.1 | Very low | 202 Ų | 202 | 115 Ų | 115 | 88% | 0.878 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 130.6 | 168.4 | -84.2 | 179.6 | 177.3 | 177.3 | 0 | 107.8 | P427 R431 | P427-K429 PolarHBondContact O-N 2.99Å; K429-R431 PolarHBondContact O-N 3.29Å |
| 430 | P | 30.6 | Very low | 46.3 | Very low | 112 Ų | 112 | 114.3 Ų | 114.3 | 73% | 0.727 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 131.4 | 171 | 22.7 | -29.6 | 0 | 0 | 0 | 108.2 | T432 | P430-T432 PolarHBondContact O-N 2.62Š|
| 431 | R | 27.8 | Very low | 43.5 | Very low | 252 Ų | 252 | 114.9 Ų | 114.9 | 95% | 0.951 | 67% | 0.674 | S | S | * | * | trans | -58.8 | 99.3 | 173.8 | -87.4 | 177.6 | 157.6 | 162.6 | -6.1 | 108.7 | K429 S433 | K429-R431 PolarHBondContact O-N 3.29Å; R431-S433 VanDerWaalsContact C-N 3.34Å; R431-S433 PolarHBondContact O-N 3.07Å | ||
| 432 | T | 26.6 | Very low | 40.9 | Very low | 139 Ų | 139 | 120.1 Ų | 120.1 | 85% | 0.853 | 70% | 0.7 | S | S | * | * | trans | -77.3 | 95.1 | 155.2 | 46.3 | 0 | 0 | 0 | 0 | 106.9 | P430 H434 | P430-T432 PolarHBondContact O-N 2.62Å; T432-H434 PolarHBondContact O-N 3.35Å | ||
| 433 | S | 26.9 | Very low | 38.5 | Very low | 103 Ų | 103 | 119.7 Ų | 119.7 | 72% | 0.72 | 70% | 0.703 | S | S | * | * | trans | -67.2 | 114.6 | 162.4 | 180 | 0 | 0 | 0 | 0 | 107.8 | R431 | R431-S433 VanDerWaalsContact C-N 3.34Å; R431-S433 PolarHBondContact O-N 3.07Å | ||
| 434 | H | 27.4 | Very low | 36 | Very low | 184 Ų | 184 | 120.9 Ų | 120.9 | 85% | 0.852 | 72% | 0.72 | S | S | * | * | trans | -141.2 | 109.4 | 143.9 | -107.6 | -70.6 | 0 | 0 | 0 | 109.9 | T432 | T432-H434 PolarHBondContact O-N 3.35Š| ||
| 435 | S | 28.4 | Very low | 33.4 | Very low | 84 Ų | 84 | 126.4 Ų | 126.4 | 59% | 0.587 | 75% | 0.754 | S | S | * | * | trans | -20.4 | 137.2 | 161.6 | 51.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 436 | N | 28 | Very low | 30.7 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | 41 | 120 | 134 | -59.9 | -6.5 | 0 | 0 | 0 | 118.8 | ||||
| 437 | D | 25.7 | Very low | 28.8 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 92% | 0.92 | 80% | 0.804 | S | S | * | * | -147.9 | 140.1 | 106 | -97.8 | -33.8 | 0 | 0 | 0 | 112.1 | |||||
| 438 | V | 30.1 | Very low | 27.3 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | trans | -91.7 | 135 | 178.3 | 169 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 439 | A | 25.7 | Very low | 26.2 | Very low | 91 Ų | 91 | 142.4 Ų | 142.4 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | 151.9 | 143.3 | 126 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 440 | A | 25.8 | Very low | 25.9 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | 73.2 | 111.3 | 148.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 441 | G | 24.2 | Very low | 25.6 | Very low | 71 Ų | 71 | 140.7 Ų | 140.7 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | -77.4 | 158.3 | 159 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 442 | Q | 25.2 | Very low | 25.4 | Very low | 201 Ų | 201 | 137.3 Ų | 137.3 | 94% | 0.939 | 80% | 0.804 | S | S | * | * | trans | -169.8 | 140.5 | 140.6 | -109.8 | 170.5 | -14.8 | 0 | 0 | 109.7 | ||||
| 443 | D | 23.2 | Very low | 25.2 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | -63.5 | 158.4 | 174 | -77.9 | -51 | 0 | 0 | 0 | 113.2 | ||||
| 444 | A | 23.6 | Very low | 24.9 | Very low | 91 Ų | 91 | 138.7 Ų | 138.7 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | 71.9 | 130.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 445 | V | 23.5 | Very low | 24.7 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | 165.6 | 118.8 | 109.4 | 160.9 | 0 | 0 | 0 | 0 | 108 | L447 | V445-L447 HydrophobicContact CG1-CD1 4.49Š| |||
| 446 | Y | 23.1 | Very low | 24.4 | Very low | 219 Ų | 219 | 136.1 Ų | 136.1 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | trans | -53.6 | 140.8 | 160.1 | -92.7 | -101.5 | 0 | 0 | 0 | 109.8 | ||||
| 447 | L | 23.3 | Very low | 24.2 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 82% | 0.817 | 82% | 0.824 | S | S | * | * | trans | -174.5 | 105.4 | 139.8 | -98.3 | 153.7 | 0 | 0 | 0 | 110 | V445 | V445-L447 HydrophobicContact CG1-CD1 4.49Š| ||
| 448 | T | 25.1 | Very low | 24 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | -68.6 | 145.3 | 148.1 | 41.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 449 | P | 25.4 | Very low | 23.6 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -115.9 | 135.7 | 143.7 | 15.8 | 3 | 0 | 0 | 0 | 110.7 | ||||
| 450 | A | 25.3 | Very low | 23.3 | Very low | 94 Ų | 94 | 143.7 Ų | 143.7 | 78% | 0.777 | 82% | 0.823 | S | S | * | * | trans | -87 | 152.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 451 | E | 23.6 | Very low | 23.6 | Very low | 184 Ų | 184 | 144.1 Ų | 144.1 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -179.5 | 111.2 | 149.3 | -99.5 | 169.4 | -174.4 | 0 | 0 | 105.4 | ||||
| 452 | E | 22.5 | Very low | 23.7 | Very low | 180 Ų | 180 | 145.6 Ų | 145.6 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | 48.2 | 128.5 | 89.1 | -72.8 | -172.2 | 172.6 | 0 | 0 | 112.2 | |||||
| 453 | E | 22.4 | Very low | 23.5 | Very low | 189 Ų | 189 | 143.2 Ų | 143.2 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | cis | -163.5 | 170.6 | 27.6 | -128 | -173.5 | 175.8 | 0 | 0 | 109.5 | ||||
| 454 | G | 21.9 | Very low | 23.4 | Very low | 83 Ų | 83 | 143.8 Ų | 143.8 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -81.1 | -179.9 | -166.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 455 | G | 23.4 | Very low | 23.3 | Very low | 82 Ų | 82 | 149.6 Ų | 149.6 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | 162.6 | 103.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 456 | V | 22.1 | Very low | 23.2 | Very low | 132 Ų | 132 | 152.3 Ų | 152.3 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -83.7 | 135 | 177.3 | 166.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 457 | Q | 22.6 | Very low | 23 | Very low | 172 Ų | 172 | 149.8 Ų | 149.8 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | 150.9 | 123.4 | 118.6 | -121.7 | 162.2 | 22.9 | 0 | 0 | 115.7 | |||||
| 458 | N | 21.3 | Very low | 23 | Very low | 136 Ų | 136 | 145.6 Ų | 145.6 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | 35.9 | 119.5 | 139.1 | -85.7 | -24.7 | 0 | 0 | 0 | 122.5 | ||||
| 459 | H | 22.8 | Very low | 22.9 | Very low | 195 Ų | 195 | 146.9 Ų | 146.9 | 90% | 0.903 | 80% | 0.802 | S | S | * | * | -164.1 | 139.7 | 108.1 | -100.7 | -15 | 0 | 0 | 0 | 112.7 | |||||
| 460 | K | 19.6 | Very low | 22.7 | Very low | 191 Ų | 191 | 149.5 Ų | 149.5 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | trans | -76 | -174.1 | -178.9 | -97.3 | 177.2 | 179.6 | 177.1 | 0 | 112.8 | ||||
| 461 | P | 31 | Very low | 22.5 | Very low | 112 Ų | 112 | 154.5 Ų | 154.5 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | cis | -131.9 | -156.9 | -15 | 27.7 | -0.4 | 0 | 0 | 0 | 110.5 | ||||
| 462 | P | 27.7 | Very low | 22.4 | Very low | 102 Ų | 102 | 154 Ų | 154 | 66% | 0.662 | 80% | 0.799 | S | S | * | * | cis | -144.5 | 170.7 | 10.3 | 40.4 | -17.6 | 0 | 0 | 0 | 121 | ||||
| 463 | L | 21 | Very low | 22.4 | Very low | 150 Ų | 150 | 151.1 Ų | 151.1 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | 60.6 | 128.2 | 148.6 | -94.1 | 74.6 | 0 | 0 | 0 | 117.6 | ||||
| 464 | Y | 20.8 | Very low | 22.3 | Very low | 174 Ų | 174 | 149 Ų | 149 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | cis | -163.8 | 136 | 33.4 | -142.9 | -103.1 | 0 | 0 | 0 | 111 | ||||
| 465 | R | 20.4 | Very low | 22.5 | Very low | 212 Ų | 212 | 154.1 Ų | 154.1 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | 50.1 | 108.9 | 147.8 | -160.6 | 173.2 | -81.3 | 167.8 | -5 | 120.4 | ||||
| 466 | Q | 21.5 | Very low | 22.4 | Very low | 183 Ų | 183 | 159 Ų | 159 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -108.2 | 131.9 | 162.4 | -173.6 | 174.1 | 3.7 | 0 | 0 | 108.5 | ||||
| 467 | D | 19.6 | Very low | 22.5 | Very low | 167 Ų | 167 | 155.9 Ų | 155.9 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | -165.4 | 123.7 | 146.8 | -100.1 | -26.5 | 0 | 0 | 0 | 110.9 | ||||
| 468 | G | 23 | Very low | 22.6 | Very low | 68 Ų | 68 | 156.7 Ų | 156.7 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | 63.5 | 95.7 | 145.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 469 | L | 22.1 | Very low | 22.8 | Very low | 152 Ų | 152 | 155 Ų | 155 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | -173.7 | 114.3 | 117.9 | -120.8 | 107.7 | 0 | 0 | 0 | 108.8 | Y471 | L469-Y471 PolarHBondContact O-N 3.25Š| |||
| 470 | E | 21.8 | Very low | 23 | Very low | 182 Ų | 182 | 149.1 Ų | 149.1 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | -60.1 | 104.6 | 162.7 | -76.1 | -178.2 | 134.7 | 0 | 0 | 108.3 | F472 | E470-F472 VanDerWaalsContact C-N 3.34Å; E470-F472 PolarHBondContact O-N 3.17Å | ||
| 471 | Y | 20.8 | Very low | 23.7 | Very low | 199 Ų | 199 | 143.2 Ų | 143.2 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | trans | -71.7 | 94.8 | 166.8 | -102.4 | -96.1 | 0 | 0 | 0 | 108 | L469 | L469-Y471 PolarHBondContact O-N 3.25Š| ||
| 472 | F | 21.2 | Very low | 24.4 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | trans | -47.5 | 127.4 | 143.3 | -90.4 | -95.8 | 0 | 0 | 0 | 106.7 | E470 L474 | E470-F472 VanDerWaalsContact C-N 3.34Å; E470-F472 PolarHBondContact O-N 3.17Å; F472-L474 PolarHBondContact O-N 2.88Å | ||
| 473 | P | 23.2 | Very low | 25.9 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -63.2 | 101.6 | 166.1 | 25.4 | -28.1 | 0 | 0 | 0 | 105.6 | Q475 | P473-Q475 PolarHBondContact O-N 3.2Š| ||
| 474 | L | 21.6 | Very low | 28.4 | Very low | 145 Ų | 145 | 145.3 Ų | 145.3 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | -45.5 | 112.2 | 163.1 | -92 | 160.2 | 0 | 0 | 0 | 105.5 | F472 Q476 | F472-L474 PolarHBondContact O-N 2.88Å; L474-Q476 PolarHBondContact O-N 3.03Å | ||
| 475 | Q | 24.3 | Very low | 31.3 | Very low | 191 Ų | 191 | 137.6 Ų | 137.6 | 89% | 0.893 | 73% | 0.729 | S | S | * | * | trans | -56.5 | 88.4 | 164.2 | -162.3 | 163.2 | 4.1 | 0 | 0 | 105.3 | P473 G477 | P473-Q475 PolarHBondContact O-N 3.2Å; Q475-G477 VanDerWaalsContact C-N 3.33Å; Q475-G477 PolarHBondContact O-N 3.36Å | ||
| 476 | Q | 22.2 | Very low | 34.4 | Very low | 184 Ų | 184 | 128.6 Ų | 128.6 | 86% | 0.86 | 70% | 0.698 | S | S | * | * | trans | -64.7 | 103.6 | 179.9 | -148.4 | 163.8 | 11.3 | 0 | 0 | 103.8 | L474 E478 | L474-Q476 PolarHBondContact O-N 3.03Å; Q476-E478 PolarHBondContact O-N 3.41Å | ||
| 477 | G | 23.6 | Very low | 37.5 | Very low | 67 Ų | 67 | 119.9 Ų | 119.9 | 69% | 0.691 | 66% | 0.657 | S | S | * | * | trans | -46.9 | 116.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 109 | Q475 A479 | Q475-G477 VanDerWaalsContact C-N 3.33Å; Q475-G477 PolarHBondContact O-N 3.36Å; G477-A479 PolarHBondContact O-N 3.41Å | ||
| 478 | E | 25.3 | Very low | 40.8 | Very low | 188 Ų | 188 | 112.4 Ų | 112.4 | 88% | 0.879 | 62% | 0.617 | S | S | * | * | trans | -47.4 | 110.2 | 162.6 | -71.5 | -177.2 | 136.7 | 0 | 0 | 106.1 | Q476 G480 | Q476-E478 PolarHBondContact O-N 3.41Å; E478-G480 PolarHBondContact O-N 2.91Å | ||
| 479 | A | 25.2 | Very low | 44 | Very low | 100 Ų | 100 | 109.1 Ų | 109.1 | 83% | 0.826 | 58% | 0.583 | S | S | * | * | trans | -52.9 | 109.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | G477 G481 | G477-A479 PolarHBondContact O-N 3.41Å; A479-G481 PolarHBondContact O-N 3.46Å | ||
| 480 | G | 27.6 | Very low | 47.4 | Very low | 73 Ų | 73 | 101.9 Ų | 101.9 | 75% | 0.753 | 55% | 0.546 | S | S | * | . | trans | -48.6 | 103.1 | -164.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E478 E482 | E478-G480 PolarHBondContact O-N 2.91Å; G480-E482 PolarHBondContact O-N 3.44Å; G480-E482 VanDerWaalsContact O-N 3.09Å | ||
| 481 | G | 34.4 | Very low | 50.7 | Low | 66 Ų | 66 | 93.2 Ų | 93.2 | 68% | 0.68 | 51% | 0.505 | S | S | * | . | trans | -67.4 | 104.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | A479 R483 | A479-G481 PolarHBondContact O-N 3.46Å; G481-R483 PolarHBondContact O-N 3.43Å | ||
| 482 | E | 46 | Very low | 54.1 | Low | 114 Ų | 114 | 84 Ų | 84 | 53% | 0.533 | 47% | 0.469 | S | S | . | . | trans | -43.4 | 119.5 | 168.2 | -88 | -176.8 | 122.3 | 0 | 0 | 108.3 | Q69 G480 R484 | Q69-E482 PolarHBondContact NE2-OE1 2.95Å; Q69-E482 VanDerWaalsContact NE2-OE1 3.08Å; G480-E482 PolarHBondContact O-N 3.44Å; G480-E482 VanDerWaalsContact O-N 3.09Å; E482-R484 VanDerWaalsContact C-N 3.35Å; E482-R484 PolarHBondContact O-N 2.96Å | ||
| 483 | R | 57.6 | Low | 57.5 | Low | 245 Ų | 245 | 75.9 Ų | 75.9 | 93% | 0.925 | 43% | 0.433 | S | S | * | . | trans | -62.1 | 100.3 | 177.6 | -82.1 | -176.8 | 178 | -178 | -0.1 | 107.8 | G481 G485 | G481-R483 PolarHBondContact O-N 3.43Å; R483-G485 PolarHBondContact O-N 2.83Å; R483-G485 VanDerWaalsContact O-N 3.1Å | ||
| 484 | R | 74.1 | Confident | 60.8 | Low | 50 Ų | 50 | 70.6 Ų | 70.6 | 19% | 0.189 | 40% | 0.399 | C | S | . | . | trans | -55.8 | 115.5 | 175.7 | -165.4 | 166.5 | -170.3 | -111.6 | 7 | 109.6 | P282 I285 K421 E482 D489 | P282-R484 VanDerWaalsContact CD-NH2 3.33Å; I285-R484 VanDerWaalsContact CD1-NH1 3.26Å; K421-R484 PolarHBondContact NZ-O 3.34Å; E482-R484 VanDerWaalsContact C-N 3.35Å; E482-R484 PolarHBondContact O-N 2.96Å; R484-D489 VanDerWaalsContact CZ-CG 3.45Å; R484-D489 IonicContact CZ-OD1 2.92Å; R484-D489 IonicContact CZ-OD2 3.71Å; R484-D489 IonicContact NE-OD1 2.99Å; R484-D489 IonicContact NE-OD2 3.57Å; R484-D489 VanDerWaalsContact NH1-CG 3.32Å; R484-D489 IonicContact NH1-OD1 2.73Å; R484-D489 PolarHBondContact NH1-OD1 3.3Å; R484-D489 VanDerWaalsContact NH1-OD1 3.08Å; R484-D489 IonicContact NH1-OD2 2.99Å; R484-D489 PolarHBondContact NH1-OD2 3.42Å; R484-D489 IonicContact NH2-OD1 2.67Å; R484-D489 PolarHBondContact NH2-OD1 3.49Å; R484-D489 IonicContact NH2-OD2 3.93Å | ||
| 485 | G | 81.4 | Confident | 64.2 | Low | 11 Ų | 11 | 64.4 Ų | 64.4 | 11% | 0.113 | 37% | 0.367 | C | S | . | . | trans | -92.2 | 155.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | D68 R483 G487 L488 | D68-G485 VanDerWaalsContact CG-CA 3.49Å; D68-G485 VanDerWaalsContact OD2-C 3.3Å; D68-G485 VanDerWaalsContact OD2-CA 3.26Å; D68-G485 WeakPolarHBondContact OD2-CA 3.43Å; R483-G485 PolarHBondContact O-N 2.83Å; R483-G485 VanDerWaalsContact O-N 3.1Å; G485-G487 PolarHBondContact O-N 3.27Å; G485-L488 PolarHBondContact O-N 2.7Å | ||
| 486 | V | 86.8 | Confident | 67.4 | Low | 23 Ų | 23 | 55.7 Ų | 55.7 | 14% | 0.139 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64 | -29.6 | 180 | -160.4 | 0 | 0 | 0 | 0 | 110.8 | H418 D489 F490 | H418-V486 HydrophobicContact CB-CG1 4.46Å; H418-V486 HydrophobicContact CB-CG2 4.11Å; V486-D489 PolarHBondContact O-N 3.26Å; V486-F490 HydrophobicContact CG1-CD2 4.26Å; V486-F490 HydrophobicContact CG1-CE2 3.8Å; V486-F490 HydrophobicContact CG1-CZ 3.95Å; V486-F490 PolarHBondContact O-N 2.99Å |
| 487 | G | 86.4 | Confident | 70.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.2 | -39.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | D68 G485 D489 A491 | D68-G487 WeakPolarHBondContact OD1-CA 3.43Å; D68-G487 PolarHBondContact OD1-N 2.98Å; D68-G487 PolarHBondContact OD2-N 3.06Å; G485-G487 PolarHBondContact O-N 3.27Å; G487-D489 VanDerWaalsContact C-N 3.31Å; G487-D489 PolarHBondContact O-N 3.46Å; G487-A491 WeakPolarHBondContact O-CB 3.34Å; G487-A491 PolarHBondContact O-N 3.21Å |
| 488 | L | 88.8 | Confident | 74.1 | Confident | 10 Ų | 10 | 46.1 Ų | 46.1 | 5% | 0.052 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -37.6 | 172.3 | 178.3 | 60.7 | 0 | 0 | 0 | 112 | D68 S277 G485 A491 I492 | D68-L488 PolarHBondContact OD2-N 3.05Å; S277-L488 VanDerWaalsContact OG-CD2 3.27Å; S277-L488 WeakPolarHBondContact OG-CD2 3.45Å; G485-L488 PolarHBondContact O-N 2.7Å; L488-A491 WeakPolarHBondContact O-CB 3.39Å; L488-A491 PolarHBondContact O-N 3.46Å; L488-I492 HydrophobicContact CG-CD1 4.3Å; L488-I492 VanDerWaalsContact O-CG1 3.3Å; L488-I492 WeakPolarHBondContact O-CG1 3.4Å; L488-I492 PolarHBondContact O-N 2.97Å |
| 489 | D | 90.6 | Very high | 77.2 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.9 | -41.6 | 179.3 | -83.1 | -43.4 | 0 | 0 | 0 | 112.4 | I285 T414 H418 R484 V486 G487 A491 I492 L493 | I285-D489 HydrophobicContact CD1-CB 4.17Å; I285-D489 VanDerWaalsContact CD1-OD1 3.3Å; I285-D489 WeakPolarHBondContact CD1-OD1 3.28Å; I285-D489 WeakPolarHBondContact CD1-OD2 3.46Å; T414-D489 HydrophobicContact CG2-CB 3.98Å; H418-D489 IonicContact CE1-OD2 2.92Å; H418-D489 PolarHBondContact CE1-OD2 3.32Å; H418-D489 IonicContact NE2-OD2 3.07Å; H418-D489 PolarHBondContact NE2-OD2 3.45Å; R484-D489 VanDerWaalsContact CZ-CG 3.45Å; R484-D489 IonicContact CZ-OD1 2.92Å; R484-D489 IonicContact CZ-OD2 3.71Å; R484-D489 IonicContact NE-OD1 2.99Å; R484-D489 IonicContact NE-OD2 3.57Å; R484-D489 VanDerWaalsContact NH1-CG 3.32Å; R484-D489 IonicContact NH1-OD1 2.73Å; R484-D489 PolarHBondContact NH1-OD1 3.3Å; R484-D489 VanDerWaalsContact NH1-OD1 3.08Å; R484-D489 IonicContact NH1-OD2 2.99Å; R484-D489 PolarHBondContact NH1-OD2 3.42Å; R484-D489 IonicContact NH2-OD1 2.67Å; R484-D489 PolarHBondContact NH2-OD1 3.49Å; R484-D489 IonicContact NH2-OD2 3.93Å; V486-D489 PolarHBondContact O-N 3.26Å; G487-D489 VanDerWaalsContact C-N 3.31Å; G487-D489 PolarHBondContact O-N 3.46Å; D489-A491 VanDerWaalsContact C-N 3.31Å; D489-A491 PolarHBondContact O-N 2.99Å; D489-I492 PolarHBondContact O-N 3.43Å; D489-L493 WeakPolarHBondContact O-CD1 3.35Å; D489-L493 PolarHBondContact O-N 3.24Å; D489-L493 VanDerWaalsContact O-N 3.09Å |
| 490 | F | 92.9 | Very high | 80.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.6 | -41.4 | 168 | -67.7 | -34.8 | 0 | 0 | 0 | 112.5 | T133 E136 A137 S140 F153 Y411 T414 V486 I492 L493 D494 | T133-F490 HydrophobicContact CG2-CB 4.42Å; E136-F490 HydrophobicContact CB-CD2 4.18Å; E136-F490 HydrophobicContact CB-CE2 4.44Å; E136-F490 WeakPolarHBondContact O-CE2 3.25Å; A137-F490 HydrophobicContact CB-CD2 4.1Å; S140-F490 WeakPolarHBondContact OG-CE2 3.26Å; F153-F490 HydrophobicContact CE2-CZ 4.2Å; F153-F490 HydrophobicContact CZ-CE1 4.17Å; F153-F490 HydrophobicContact CZ-CE2 4.17Å; F153-F490 AromaticContact CZ-CZ 3.61Å; F153-F490 HydrophobicContact CZ-CZ 3.61Å; Y411-F490 AromaticContact CD1-CD1 3.61Å; Y411-F490 HydrophobicContact CD1-CD1 3.61Å; Y411-F490 AromaticContact CD1-CE1 3.88Å; Y411-F490 HydrophobicContact CD1-CE1 3.88Å; Y411-F490 HydrophobicContact CD1-CG 4.4Å; Y411-F490 HydrophobicContact CE1-CD1 4.32Å; Y411-F490 HydrophobicContact CG-CE1 4.49Å; T414-F490 HydrophobicContact CG2-CD1 3.98Å; T414-F490 HydrophobicContact CG2-CE1 3.84Å; V486-F490 HydrophobicContact CG1-CD2 4.26Å; V486-F490 HydrophobicContact CG1-CE2 3.8Å; V486-F490 HydrophobicContact CG1-CZ 3.95Å; V486-F490 PolarHBondContact O-N 2.99Å; F490-I492 PolarHBondContact O-N 3.38Å; F490-L493 HydrophobicContact CD1-CD1 4.19Å; F490-L493 CarbonylContact O-C 3.58Å; F490-L493 WeakPolarHBondContact O-CA 3.32Å; F490-L493 WeakPolarHBondContact O-CB 3.47Å; F490-L493 PolarHBondContact O-N 2.96Å; F490-D494 PolarHBondContact O-N 2.97Å |
| 491 | A | 91.5 | Very high | 83.4 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.6 | -36 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I60 T133 G487 L488 D489 S495 | I60-A491 HydrophobicContact CG2-CB 3.67Å; I60-A491 VanDerWaalsContact CG2-O 3.27Å; I60-A491 WeakPolarHBondContact CG2-O 3.38Å; T133-A491 HydrophobicContact CG2-CB 3.68Å; G487-A491 WeakPolarHBondContact O-CB 3.34Å; G487-A491 PolarHBondContact O-N 3.21Å; L488-A491 WeakPolarHBondContact O-CB 3.39Å; L488-A491 PolarHBondContact O-N 3.46Å; D489-A491 VanDerWaalsContact C-N 3.31Å; D489-A491 PolarHBondContact O-N 2.99Å; A491-S495 VanDerWaalsContact O-CB 3.31Å; A491-S495 WeakPolarHBondContact O-CB 3.47Å; A491-S495 PolarHBondContact O-N 3.31Å; A491-S495 PolarHBondContact O-OG 3.09Å |
| 492 | I | 91.2 | Very high | 86 | Confident | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68 | -41.9 | 174.7 | -66 | 163.4 | 0 | 0 | 0 | 110.5 | Y278 V281 C289 L488 D489 F490 S495 T496 | Y278-I492 HydrophobicContact CE2-CG2 4.41Å; V281-I492 HydrophobicContact CG2-CD1 3.87Å; C289-I492 VanDerWaalsContact SG-CG2 3.55Å; L488-I492 HydrophobicContact CG-CD1 4.3Å; L488-I492 VanDerWaalsContact O-CG1 3.3Å; L488-I492 WeakPolarHBondContact O-CG1 3.4Å; L488-I492 PolarHBondContact O-N 2.97Å; D489-I492 PolarHBondContact O-N 3.43Å; F490-I492 PolarHBondContact O-N 3.38Å; I492-S495 WeakPolarHBondContact O-CB 3.43Å; I492-S495 PolarHBondContact O-N 3.41Å; I492-T496 WeakPolarHBondContact O-CG2 3.28Å; I492-T496 PolarHBondContact O-N 2.94Å |
| 493 | L | 92.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.7 | -47.4 | 174.3 | -77.4 | 134 | 0 | 0 | 0 | 111.6 | L288 Q292 P410 Y411 T414 D489 F490 S495 T496 F497 | L288-L493 HydrophobicContact CD2-CD2 4.08Å; L288-L493 HydrophobicContact CG-CD2 4.23Å; Q292-L493 HydrophobicContact CG-CD2 4.22Å; P410-L493 HydrophobicContact CB-CD2 3.69Å; Y411-L493 HydrophobicContact CE1-CB 4.14Å; T414-L493 HydrophobicContact CG2-CD1 3.93Å; T414-L493 WeakPolarHBondContact OG1-CD1 3.38Å; D489-L493 WeakPolarHBondContact O-CD1 3.35Å; D489-L493 PolarHBondContact O-N 3.24Å; D489-L493 VanDerWaalsContact O-N 3.09Å; F490-L493 HydrophobicContact CD1-CD1 4.19Å; F490-L493 CarbonylContact O-C 3.58Å; F490-L493 WeakPolarHBondContact O-CA 3.32Å; F490-L493 WeakPolarHBondContact O-CB 3.47Å; F490-L493 PolarHBondContact O-N 2.96Å; L493-S495 VanDerWaalsContact C-N 3.29Å; L493-S495 PolarHBondContact O-N 3.29Å; L493-T496 WeakPolarHBondContact O-CA 3.49Å; L493-T496 WeakPolarHBondContact O-CB 3.39Å; L493-T496 PolarHBondContact O-N 3.24Å; L493-T496 PolarHBondContact O-OG1 3.04Å; L493-F497 PolarHBondContact O-N 3.03Å; L493-F497 VanDerWaalsContact O-N 3.16Å |
| 494 | D | 93.3 | Very high | 89.5 | Confident | 9 Ų | 9 | 16.4 Ų | 16.4 | 5% | 0.048 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.3 | -35.1 | 178.2 | -66.3 | -18.6 | 0 | 0 | 0 | 112 | I60 T133 Y411 F490 T496 F497 L498 | I60-D494 HydrophobicContact CD1-CB 4.2Å; I60-D494 HydrophobicContact CG2-CB 4.03Å; T133-D494 VanDerWaalsContact CA-OD2 3.26Å; T133-D494 WeakPolarHBondContact CA-OD2 3.44Å; T133-D494 VanDerWaalsContact CB-OD2 3.23Å; T133-D494 WeakPolarHBondContact CB-OD2 3.3Å; T133-D494 PolarHBondContact OG1-OD2 3.35Å; Y411-D494 WeakPolarHBondContact CE1-OD1 3.45Å; Y411-D494 PolarHBondContact OH-OD1 2.98Å; F490-D494 PolarHBondContact O-N 2.97Å; D494-T496 VanDerWaalsContact C-N 3.27Å; D494-T496 PolarHBondContact O-N 3.03Å; D494-F497 WeakPolarHBondContact O-CB 3.49Å; D494-F497 PolarHBondContact O-N 3.46Å; D494-F497 VanDerWaalsContact O-N 3.12Å; D494-L498 PolarHBondContact O-N 2.78Å |
| 495 | S | 92.4 | Very high | 90 | Very high | 15 Ų | 15 | 17.6 Ų | 17.6 | 11% | 0.105 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.1 | -36.2 | 172.1 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | L57 P61 A491 I492 L493 F497 L498 L499 | L57-S495 WeakPolarHBondContact CD2-O 3.29Å; P61-S495 WeakPolarHBondContact CG-OG 3.37Å; A491-S495 VanDerWaalsContact O-CB 3.31Å; A491-S495 WeakPolarHBondContact O-CB 3.47Å; A491-S495 PolarHBondContact O-N 3.31Å; A491-S495 PolarHBondContact O-OG 3.09Å; I492-S495 WeakPolarHBondContact O-CB 3.43Å; I492-S495 PolarHBondContact O-N 3.41Å; L493-S495 VanDerWaalsContact C-N 3.29Å; L493-S495 PolarHBondContact O-N 3.29Å; S495-F497 VanDerWaalsContact C-N 3.32Å; S495-F497 PolarHBondContact O-N 3.33Å; S495-L498 PolarHBondContact O-N 3.05Å; S495-L499 WeakPolarHBondContact O-CB 3.19Å; S495-L499 PolarHBondContact O-N 2.96Å |
| 496 | T | 92.2 | Very high | 90.2 | Very high | 9 Ų | 9 | 23.7 Ų | 23.7 | 6% | 0.055 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.2 | -35.5 | 174.2 | 69.3 | 0 | 0 | 0 | 0 | 111.9 | C289 Q292 L293 I492 L493 D494 S500 | C289-T496 HydrophobicContact CB-CG2 3.84Å; Q292-T496 WeakPolarHBondContact CG-OG1 3.32Å; L293-T496 HydrophobicContact CB-CG2 4.5Å; L293-T496 VanDerWaalsContact CD1-O 3.29Å; L293-T496 WeakPolarHBondContact CD1-O 3.49Å; I492-T496 WeakPolarHBondContact O-CG2 3.28Å; I492-T496 PolarHBondContact O-N 2.94Å; L493-T496 WeakPolarHBondContact O-CA 3.49Å; L493-T496 WeakPolarHBondContact O-CB 3.39Å; L493-T496 PolarHBondContact O-N 3.24Å; L493-T496 PolarHBondContact O-OG1 3.04Å; D494-T496 VanDerWaalsContact C-N 3.27Å; D494-T496 PolarHBondContact O-N 3.03Å; T496-S500 WeakPolarHBondContact O-CB 3.5Å; T496-S500 PolarHBondContact O-N 3.38Å |
| 497 | F | 93.1 | Very high | 90.1 | Very high | 47 Ų | 47 | 25.3 Ų | 25.3 | 21% | 0.206 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.2 | -48.5 | 172.9 | 167.5 | -105.3 | 0 | 0 | 0 | 111.7 | W296 M300 L493 D494 S495 L499 S500 Q501 | W296-F497 AromaticContact CD2-CD2 3.5Å; W296-F497 HydrophobicContact CD2-CD2 3.5Å; W296-F497 HydrophobicContact CD2-CE2 4.06Å; W296-F497 AromaticContact CE2-CD2 3.73Å; W296-F497 AromaticContact CE3-CD2 3.64Å; W296-F497 HydrophobicContact CE3-CD2 3.64Å; W296-F497 AromaticContact CE3-CE2 3.7Å; W296-F497 HydrophobicContact CE3-CE2 3.7Å; W296-F497 AromaticContact CG-CD2 3.93Å; W296-F497 HydrophobicContact CG-CD2 3.93Å; W296-F497 HydrophobicContact CH2-CD2 4.25Å; W296-F497 HydrophobicContact CH2-CE2 4.05Å; W296-F497 HydrophobicContact CZ2-CD2 4.12Å; W296-F497 HydrophobicContact CZ2-CE2 4.37Å; W296-F497 HydrophobicContact CZ3-CD2 4.02Å; W296-F497 AromaticContact CZ3-CE2 3.7Å; W296-F497 HydrophobicContact CZ3-CE2 3.7Å; M300-F497 HydrophobicContact CE-CD2 4.29Å; M300-F497 HydrophobicContact CE-CE2 3.33Å; M300-F497 HydrophobicContact CE-CZ 3.47Å; M300-F497 VanDerWaalsContact CE-CZ 3.47Å; M300-F497 HydrophobicContact CG-CE2 4.5Å; M300-F497 HydrophobicContact SD-CD2 4.41Å; M300-F497 HydrophobicContact SD-CE2 3.67Å; M300-F497 HydrophobicContact SD-CZ 4.39Å; L493-F497 PolarHBondContact O-N 3.03Å; L493-F497 VanDerWaalsContact O-N 3.16Å; D494-F497 WeakPolarHBondContact O-CB 3.49Å; D494-F497 PolarHBondContact O-N 3.46Å; D494-F497 VanDerWaalsContact O-N 3.12Å; S495-F497 VanDerWaalsContact C-N 3.32Å; S495-F497 PolarHBondContact O-N 3.33Å; F497-L499 VanDerWaalsContact C-N 3.33Å; F497-L499 PolarHBondContact O-N 3.03Å; F497-S500 WeakPolarHBondContact O-CB 3.41Å; F497-S500 PolarHBondContact O-N 2.97Å; F497-S500 VanDerWaalsContact O-N 3.15Å; F497-S500 PolarHBondContact O-OG 3.45Å; F497-Q501 PolarHBondContact O-N 2.78Å |
| 498 | L | 92.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.2 | -38.9 | 176.7 | -66.6 | -172.8 | 0 | 0 | 0 | 112.5 | P53 G56 L57 I60 Q129 D494 S495 S500 Q501 V502 | P53-L498 HydrophobicContact CB-CD2 4.39Å; G56-L498 VanDerWaalsContact C-CD1 3.44Å; L57-L498 HydrophobicContact CD2-CB 3.75Å; L57-L498 HydrophobicContact CG-CB 3.87Å; L57-L498 HydrophobicContact CG-CD1 4.49Å; I60-L498 HydrophobicContact CD1-CD1 3.4Å; I60-L498 VanDerWaalsContact CD1-CD1 3.4Å; I60-L498 HydrophobicContact CD1-CG 4.19Å; I60-L498 HydrophobicContact CG1-CD1 4.45Å; Q129-L498 HydrophobicContact CB-CD2 4.46Å; Q129-L498 HydrophobicContact CG-CD2 4.35Å; Q129-L498 VanDerWaalsContact OE1-CD2 3.32Å; D494-L498 PolarHBondContact O-N 2.78Å; S495-L498 PolarHBondContact O-N 3.05Å; L498-S500 PolarHBondContact O-N 3.34Å; L498-Q501 WeakPolarHBondContact O-CB 3.4Å; L498-Q501 PolarHBondContact O-N 3.28Å; L498-V502 PolarHBondContact O-N 2.81Å; L498-V502 VanDerWaalsContact O-N 3.1Å |
| 499 | L | 91.6 | Very high | 89.6 | Confident | 54 Ų | 54 | 26.4 Ų | 26.4 | 28% | 0.283 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.8 | -36 | 176.8 | -173 | 64.5 | 0 | 0 | 0 | 110.5 | L57 L293 S495 F497 Q501 V502 I503 | L57-L499 HydrophobicContact CD1-CD1 4.29Å; L57-L499 HydrophobicContact CD2-CB 4Å; L293-L499 HydrophobicContact CD1-CB 3.92Å; L293-L499 HydrophobicContact CD1-CD2 3.81Å; L293-L499 HydrophobicContact CD1-CG 3.92Å; L293-L499 HydrophobicContact CD2-CD2 3.96Å; S495-L499 WeakPolarHBondContact O-CB 3.19Å; S495-L499 PolarHBondContact O-N 2.96Å; F497-L499 VanDerWaalsContact C-N 3.33Å; F497-L499 PolarHBondContact O-N 3.03Å; L499-Q501 PolarHBondContact O-N 2.91Å; L499-V502 PolarHBondContact O-N 3.32Å; L499-I503 HydrophobicContact CD1-CD1 3.81Å; L499-I503 HydrophobicContact CD1-CG1 3.78Å; L499-I503 HydrophobicContact CD2-CD1 3.99Å; L499-I503 HydrophobicContact CG-CD1 3.5Å; L499-I503 VanDerWaalsContact CG-CD1 3.5Å; L499-I503 HydrophobicContact CG-CG1 3.91Å; L499-I503 VanDerWaalsContact O-CG1 3.24Å; L499-I503 WeakPolarHBondContact O-CG1 3.43Å; L499-I503 PolarHBondContact O-N 2.7Å |
| 500 | S | 92.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68 | -16.5 | 174.7 | 85.6 | 0 | 0 | 0 | 0 | 114.7 | W296 M300 T496 F497 L498 P504 | W296-S500 VanDerWaalsContact CB-OG 3.23Å; W296-S500 WeakPolarHBondContact CB-OG 3.45Å; M300-S500 VanDerWaalsContact CG-OG 3.25Å; M300-S500 WeakPolarHBondContact CG-OG 3.49Å; T496-S500 WeakPolarHBondContact O-CB 3.5Å; T496-S500 PolarHBondContact O-N 3.38Å; F497-S500 WeakPolarHBondContact O-CB 3.41Å; F497-S500 PolarHBondContact O-N 2.97Å; F497-S500 VanDerWaalsContact O-N 3.15Å; F497-S500 PolarHBondContact O-OG 3.45Å; L498-S500 PolarHBondContact O-N 3.34Å; S500-P504 WeakPolarHBondContact O-CD 3.27Å; S500-P504 WeakPolarHBondContact O-CG 3.25Å |
| 501 | Q | 90.6 | Very high | 89 | Confident | 30 Ų | 30 | 31.5 Ų | 31.5 | 14% | 0.14 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -83.7 | -49 | 170.4 | -60.3 | -179.5 | 19.4 | 0 | 0 | 110.2 | M300 F497 L498 L499 T505 | M300-Q501 HydrophobicContact CE-CG 3.34Å; M300-Q501 VanDerWaalsContact CE-NE2 3.3Å; M300-Q501 HydrophobicContact CG-CG 4.06Å; F497-Q501 PolarHBondContact O-N 2.78Å; L498-Q501 WeakPolarHBondContact O-CB 3.4Å; L498-Q501 PolarHBondContact O-N 3.28Å; L499-Q501 PolarHBondContact O-N 2.91Å; Q501-T505 VanDerWaalsContact O-CG2 3.3Å; Q501-T505 WeakPolarHBondContact O-CG2 3.28Å; Q501-T505 PolarHBondContact O-N 3.48Å; Q501-T505 PolarHBondContact O-OG1 2.91Å |
| 502 | V | 89.6 | Confident | 88.7 | Confident | 25 Ų | 25 | 32.4 Ų | 32.4 | 15% | 0.152 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.9 | -47.5 | -175.2 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | P53 V54 L57 L498 L499 T505 L506 | P53-V502 HydrophobicContact CB-CG2 3.86Å; V54-V502 HydrophobicContact CG2-CG2 4.17Å; L57-V502 HydrophobicContact CD1-CG2 4.1Å; L498-V502 PolarHBondContact O-N 2.81Å; L498-V502 VanDerWaalsContact O-N 3.1Å; L499-V502 PolarHBondContact O-N 3.32Å; V502-T505 PolarHBondContact O-N 2.96Å; V502-T505 PolarHBondContact O-OG1 3.41Å; V502-L506 HydrophobicContact CG1-CD1 3.91Å; V502-L506 HydrophobicContact CG1-CG 4.35Å; V502-L506 WeakPolarHBondContact O-CG 3.44Å; V502-L506 PolarHBondContact O-N 2.69Å |
| 503 | I | 89.6 | Confident | 88.4 | Confident | 53 Ų | 53 | 39.6 Ų | 39.6 | 27% | 0.272 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.2 | -54.8 | -174.6 | -57.8 | 171.3 | 0 | 0 | 0 | 110.9 | M297 L499 T505 L506 F507 | M297-I503 HydrophobicContact CE-CB 4.36Å; M297-I503 HydrophobicContact CE-CG2 3.98Å; M297-I503 HydrophobicContact SD-CD1 4.28Å; L499-I503 HydrophobicContact CD1-CD1 3.81Å; L499-I503 HydrophobicContact CD1-CG1 3.78Å; L499-I503 HydrophobicContact CD2-CD1 3.99Å; L499-I503 HydrophobicContact CG-CD1 3.5Å; L499-I503 VanDerWaalsContact CG-CD1 3.5Å; L499-I503 HydrophobicContact CG-CG1 3.91Å; L499-I503 VanDerWaalsContact O-CG1 3.24Å; L499-I503 WeakPolarHBondContact O-CG1 3.43Å; L499-I503 PolarHBondContact O-N 2.7Å; I503-T505 VanDerWaalsContact C-N 3.32Å; I503-T505 PolarHBondContact O-N 2.79Å; I503-L506 WeakPolarHBondContact O-CB 3.41Å; I503-L506 PolarHBondContact O-N 2.84Å; I503-F507 HydrophobicContact CB-CE1 4.24Å; I503-F507 HydrophobicContact CG2-CD1 3.7Å; I503-F507 HydrophobicContact CG2-CE1 3.36Å; I503-F507 WeakPolarHBondContact O-CD1 3.33Å; I503-F507 WeakPolarHBondContact O-CE1 3.38Å; I503-F507 PolarHBondContact O-N 3.33Å |
| 504 | P | 87.1 | Confident | 88.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54 | -42.4 | 177 | -29 | 39.1 | 0 | 0 | 0 | 114.4 | M297 S301 F305 S500 L506 F507 M508 | M297-P504 HydrophobicContact CG-CG 4.5Å; S301-P504 WeakPolarHBondContact OG-CG 3.37Å; F305-P504 HydrophobicContact CE2-CB 4.49Å; S500-P504 WeakPolarHBondContact O-CD 3.27Å; S500-P504 WeakPolarHBondContact O-CG 3.25Å; P504-L506 PolarHBondContact O-N 3.43Å; P504-F507 HydrophobicContact CB-CE1 4.39Å; P504-F507 HydrophobicContact CB-CZ 4.27Å; P504-F507 HydrophobicContact CG-CE1 4.4Å; P504-F507 HydrophobicContact CG-CZ 4.37Å; P504-F507 PolarHBondContact O-N 3.42Å; P504-M508 HydrophobicContact CB-CE 4.38Å; P504-M508 HydrophobicContact CB-CG 4.04Å; P504-M508 WeakPolarHBondContact O-CB 3.31Å; P504-M508 WeakPolarHBondContact O-CG 3.5Å; P504-M508 PolarHBondContact O-N 2.9Å |
| 505 | T | 84.4 | Confident | 87.8 | Confident | 76 Ų | 76 | 49 Ų | 49 | 47% | 0.466 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.3 | -29.2 | 179.2 | 60.3 | 0 | 0 | 0 | 0 | 113.3 | L304 Q501 V502 I503 | L304-T505 HydrophobicContact CD1-CG2 3.75Å; Q501-T505 VanDerWaalsContact O-CG2 3.3Å; Q501-T505 WeakPolarHBondContact O-CG2 3.28Å; Q501-T505 PolarHBondContact O-N 3.48Å; Q501-T505 PolarHBondContact O-OG1 2.91Å; V502-T505 PolarHBondContact O-N 2.96Å; V502-T505 PolarHBondContact O-OG1 3.41Å; I503-T505 VanDerWaalsContact C-N 3.32Å; I503-T505 PolarHBondContact O-N 2.79Å |
| 506 | L | 84.8 | Confident | 87.5 | Confident | 139 Ų | 139 | 59.4 Ų | 59.4 | 73% | 0.728 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -77.3 | -35.2 | -179.2 | -68.1 | 172.6 | 0 | 0 | 0 | 113.8 | V502 I503 P504 | V502-L506 HydrophobicContact CG1-CD1 3.91Å; V502-L506 HydrophobicContact CG1-CG 4.35Å; V502-L506 WeakPolarHBondContact O-CG 3.44Å; V502-L506 PolarHBondContact O-N 2.69Å; I503-L506 WeakPolarHBondContact O-CB 3.41Å; I503-L506 PolarHBondContact O-N 2.84Å; P504-L506 PolarHBondContact O-N 3.43Å |
| 507 | F | 85.1 | Confident | 87.3 | Confident | 56 Ų | 56 | 60.9 Ų | 60.9 | 25% | 0.246 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -111.4 | -23.6 | -172.8 | 69.1 | -99.2 | 0 | 0 | 0 | 114.6 | M297 I503 P504 G509 A510 V511 F528 | M297-F507 HydrophobicContact CE-CE1 4.21Å; M297-F507 HydrophobicContact CE-CZ 4.28Å; I503-F507 HydrophobicContact CB-CE1 4.24Å; I503-F507 HydrophobicContact CG2-CD1 3.7Å; I503-F507 HydrophobicContact CG2-CE1 3.36Å; I503-F507 WeakPolarHBondContact O-CD1 3.33Å; I503-F507 WeakPolarHBondContact O-CE1 3.38Å; I503-F507 PolarHBondContact O-N 3.33Å; P504-F507 HydrophobicContact CB-CE1 4.39Å; P504-F507 HydrophobicContact CB-CZ 4.27Å; P504-F507 HydrophobicContact CG-CE1 4.4Å; P504-F507 HydrophobicContact CG-CZ 4.37Å; P504-F507 PolarHBondContact O-N 3.42Å; F507-G509 VanDerWaalsContact C-N 3.26Å; F507-G509 PolarHBondContact O-N 2.87Å; F507-A510 WeakPolarHBondContact O-CB 3.18Å; F507-A510 PolarHBondContact O-N 3.21Å; F507-V511 HydrophobicContact CD2-CG2 3.93Å; F507-V511 PolarHBondContact O-N 3.35Å; F507-V511 VanDerWaalsContact O-N 3.09Å; F507-F528 HydrophobicContact CE1-CZ 4.37Å; F507-F528 AromaticContact CE2-CE2 3.98Å; F507-F528 HydrophobicContact CE2-CE2 3.98Å; F507-F528 AromaticContact CE2-CZ 3.8Å; F507-F528 HydrophobicContact CE2-CZ 3.8Å; F507-F528 AromaticContact CZ-CE2 3.56Å; F507-F528 HydrophobicContact CZ-CE2 3.56Å; F507-F528 AromaticContact CZ-CZ 3.38Å; F507-F528 HydrophobicContact CZ-CZ 3.38Å |
| 508 | M | 83.4 | Confident | 87 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.8 | -32.2 | -173 | -74.8 | -67.3 | -159.5 | 0 | 0 | 113.1 | S301 F305 P504 A510 V511 V512 Y521 F528 | S301-M508 VanDerWaalsContact CB-CE 3.49Å; S301-M508 WeakPolarHBondContact OG-CE 3.48Å; F305-M508 HydrophobicContact CD2-CB 4.31Å; F305-M508 HydrophobicContact CD2-CG 4.26Å; F305-M508 HydrophobicContact CE2-CB 3.59Å; F305-M508 HydrophobicContact CE2-CG 3.66Å; F305-M508 HydrophobicContact CZ-CB 3.74Å; F305-M508 HydrophobicContact CZ-CG 4.29Å; P504-M508 HydrophobicContact CB-CE 4.38Å; P504-M508 HydrophobicContact CB-CG 4.04Å; P504-M508 WeakPolarHBondContact O-CB 3.31Å; P504-M508 WeakPolarHBondContact O-CG 3.5Å; P504-M508 PolarHBondContact O-N 2.9Å; M508-A510 VanDerWaalsContact C-N 3.34Å; M508-A510 PolarHBondContact O-N 3.36Å; M508-V511 PolarHBondContact O-N 2.92Å; M508-V512 PolarHBondContact O-N 3.22Å; M508-Y521 HydrophobicContact CB-CD1 4Å; M508-Y521 HydrophobicContact CB-CE1 3.84Å; M508-Y521 HydrophobicContact SD-CD1 4.42Å; M508-F528 HydrophobicContact CE-CD2 4.37Å; M508-F528 HydrophobicContact CE-CE2 3.72Å |
| 509 | G | 81.2 | Confident | 86.9 | Confident | 33 Ų | 33 | 61.4 Ų | 61.4 | 34% | 0.34 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.8 | -43.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F507 V512 Q513 | F507-G509 VanDerWaalsContact C-N 3.26Å; F507-G509 PolarHBondContact O-N 2.87Å; G509-V512 PolarHBondContact O-N 3.5Å; G509-Q513 VanDerWaalsContact O-CG 3.28Å; G509-Q513 WeakPolarHBondContact O-CG 3.4Å; G509-Q513 PolarHBondContact O-N 3.21Å |
| 510 | A | 85.3 | Confident | 86.9 | Confident | 59 Ų | 59 | 59.4 Ų | 59.4 | 49% | 0.488 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.8 | -38 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F507 M508 Q513 L514 | F507-A510 WeakPolarHBondContact O-CB 3.18Å; F507-A510 PolarHBondContact O-N 3.21Å; M508-A510 VanDerWaalsContact C-N 3.34Å; M508-A510 PolarHBondContact O-N 3.36Å; A510-Q513 PolarHBondContact O-N 2.95Å; A510-L514 WeakPolarHBondContact O-CB 3.3Å; A510-L514 PolarHBondContact O-N 3.23Å |
| 511 | V | 85.7 | Confident | 86.9 | Confident | 48 Ų | 48 | 60.9 Ų | 60.9 | 29% | 0.291 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 176.6 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | F507 M508 L514 A515 A520 | F507-V511 HydrophobicContact CD2-CG2 3.93Å; F507-V511 PolarHBondContact O-N 3.35Å; F507-V511 VanDerWaalsContact O-N 3.09Å; M508-V511 PolarHBondContact O-N 2.92Å; V511-L514 PolarHBondContact O-N 2.94Å; V511-A515 VanDerWaalsContact O-CB 3.31Å; V511-A515 WeakPolarHBondContact O-CB 3.44Å; V511-A515 PolarHBondContact O-N 3.12Å; V511-A520 HydrophobicContact CG1-CB 4.22Å |
| 512 | V | 84.6 | Confident | 87 | Confident | 19 Ų | 19 | 59.4 Ų | 59.4 | 12% | 0.115 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.5 | -37.7 | 179.4 | 169.6 | 0 | 0 | 0 | 0 | 112.4 | M508 G509 L514 A515 R516 V518 A520 Y521 | M508-V512 PolarHBondContact O-N 3.22Å; G509-V512 PolarHBondContact O-N 3.5Å; V512-L514 VanDerWaalsContact C-N 3.29Å; V512-L514 PolarHBondContact O-N 2.85Å; V512-A515 PolarHBondContact O-N 3.45Å; V512-R516 WeakPolarHBondContact O-CA 3.34Å; V512-R516 PolarHBondContact O-N 3.47Å; V512-V518 HydrophobicContact CG1-CG1 4.43Å; V512-A520 HydrophobicContact CG2-CB 4.22Å; V512-Y521 HydrophobicContact CB-CE1 4.12Å; V512-Y521 HydrophobicContact CB-CE2 4.34Å; V512-Y521 HydrophobicContact CG1-CE2 4.22Å; V512-Y521 HydrophobicContact CG2-CD1 3.48Å; V512-Y521 VanDerWaalsContact CG2-CD1 3.48Å; V512-Y521 HydrophobicContact CG2-CD2 3.81Å; V512-Y521 HydrophobicContact CG2-CE1 3.25Å; V512-Y521 HydrophobicContact CG2-CE2 3.6Å; V512-Y521 HydrophobicContact CG2-CG 3.75Å |
| 513 | Q | 85.1 | Confident | 87.2 | Confident | 157 Ų | 157 | 60.3 Ų | 60.3 | 73% | 0.734 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.4 | -40.3 | 172.6 | -74.8 | 176.7 | -1.8 | 0 | 0 | 112 | G509 A510 | G509-Q513 VanDerWaalsContact O-CG 3.28Å; G509-Q513 WeakPolarHBondContact O-CG 3.4Å; G509-Q513 PolarHBondContact O-N 3.21Å; A510-Q513 PolarHBondContact O-N 2.95Å |
| 514 | L | 88.6 | Confident | 87.3 | Confident | 155 Ų | 155 | 58.7 Ų | 58.7 | 81% | 0.812 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -69.2 | -44.4 | 177.1 | -174.7 | 68.6 | 0 | 0 | 0 | 111.8 | A510 V511 V512 R516 | A510-L514 WeakPolarHBondContact O-CB 3.3Å; A510-L514 PolarHBondContact O-N 3.23Å; V511-L514 PolarHBondContact O-N 2.94Å; V512-L514 VanDerWaalsContact C-N 3.29Å; V512-L514 PolarHBondContact O-N 2.85Å; L514-R516 VanDerWaalsContact C-N 3.29Å; L514-R516 PolarHBondContact O-N 3.31Å |
| 515 | A | 86.1 | Confident | 87.7 | Confident | 52 Ų | 52 | 58.7 Ų | 58.7 | 43% | 0.43 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -75.8 | -16.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V511 V512 S517 A520 | V511-A515 VanDerWaalsContact O-CB 3.31Å; V511-A515 WeakPolarHBondContact O-CB 3.44Å; V511-A515 PolarHBondContact O-N 3.12Å; V512-A515 PolarHBondContact O-N 3.45Å; A515-S517 PolarHBondContact O-N 3.14Å; A515-S517 VanDerWaalsContact O-N 3.12Å; A515-A520 HydrophobicContact CB-CB 3.55Å |
| 516 | R | 85.4 | Confident | 88.2 | Confident | 233 Ų | 233 | 55.3 Ų | 55.3 | 88% | 0.879 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 30.4 | -172.1 | -60.7 | -176 | 174.2 | -178.9 | -1.9 | 113.3 | V512 L514 | V512-R516 WeakPolarHBondContact O-CA 3.34Å; V512-R516 PolarHBondContact O-N 3.47Å; L514-R516 VanDerWaalsContact C-N 3.29Å; L514-R516 PolarHBondContact O-N 3.31Å |
| 517 | S | 88.3 | Confident | 88.7 | Confident | 40 Ų | 40 | 53.9 Ų | 53.9 | 28% | 0.28 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -153.7 | 132.2 | -177.5 | -178.9 | 0 | 0 | 0 | 0 | 111.3 | A515 T519 A520 | A515-S517 PolarHBondContact O-N 3.14Å; A515-S517 VanDerWaalsContact O-N 3.12Å; S517-T519 PolarHBondContact O-N 3.2Å; S517-T519 PolarHBondContact OG-N 3.01Å; S517-T519 PolarHBondContact OG-OG1 3.3Å; S517-A520 WeakPolarHBondContact O-CB 3.45Å; S517-A520 PolarHBondContact O-N 3.41Å |
| 518 | V | 86.9 | Confident | 89.2 | Confident | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16.9 | 173.5 | -65.2 | 0 | 0 | 0 | 0 | 113.3 | F309 E312 G313 V512 A520 Y521 | F309-V518 HydrophobicContact CD2-CG2 4.3Å; E312-V518 HydrophobicContact CB-CG1 4.21Å; E312-V518 HydrophobicContact CB-CG2 4.24Å; E312-V518 HydrophobicContact CG-CG1 4.04Å; E312-V518 HydrophobicContact CG-CG2 4.26Å; E312-V518 WeakPolarHBondContact OE1-CG1 3.28Å; E312-V518 WeakPolarHBondContact OE2-CG1 3.41Å; G313-V518 VanDerWaalsContact CA-CG2 3.45Å; V512-V518 HydrophobicContact CG1-CG1 4.43Å; V518-A520 PolarHBondContact O-N 3.37Å; V518-A520 VanDerWaalsContact O-N 3.14Å; V518-Y521 HydrophobicContact CB-CD2 4.04Å; V518-Y521 HydrophobicContact CB-CE2 4.18Å; V518-Y521 HydrophobicContact CG1-CD2 4.42Å; V518-Y521 HydrophobicContact CG1-CE2 4.05Å; V518-Y521 WeakPolarHBondContact O-CB 3.49Å; V518-Y521 VanDerWaalsContact O-CD2 3.27Å; V518-Y521 WeakPolarHBondContact O-CD2 3.38Å; V518-Y521 PolarHBondContact O-N 2.8Å; V518-Y521 VanDerWaalsContact O-N 3.12Å |
| 519 | T | 89.5 | Confident | 89.8 | Confident | 54 Ų | 54 | 53 Ų | 53 | 33% | 0.331 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.5 | -24.3 | 171.9 | 60.9 | 0 | 0 | 0 | 0 | 112 | F309 S517 Y521 I522 A523 | F309-T519 HydrophobicContact CE2-CG2 3.83Å; S517-T519 PolarHBondContact O-N 3.2Å; S517-T519 PolarHBondContact OG-N 3.01Å; S517-T519 PolarHBondContact OG-OG1 3.3Å; T519-Y521 PolarHBondContact O-N 3.35Å; T519-I522 PolarHBondContact O-N 2.9Å; T519-A523 PolarHBondContact O-N 3.31Å |
| 520 | A | 91.6 | Very high | 90.6 | Very high | 12 Ų | 12 | 53.8 Ų | 53.8 | 10% | 0.099 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.7 | -23.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V511 V512 A515 S517 V518 S524 | V511-A520 HydrophobicContact CG1-CB 4.22Å; V512-A520 HydrophobicContact CG2-CB 4.22Å; A515-A520 HydrophobicContact CB-CB 3.55Å; S517-A520 WeakPolarHBondContact O-CB 3.45Å; S517-A520 PolarHBondContact O-N 3.41Å; V518-A520 PolarHBondContact O-N 3.37Å; V518-A520 VanDerWaalsContact O-N 3.14Å; A520-S524 VanDerWaalsContact O-CB 3.25Å; A520-S524 WeakPolarHBondContact O-CB 3.39Å; A520-S524 PolarHBondContact O-N 3.08Å; A520-S524 PolarHBondContact O-OG 3.37Å |
| 521 | Y | 91.1 | Very high | 91.1 | Very high | 30 Ų | 30 | 53.9 Ų | 53.9 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.9 | -51.1 | 171.6 | -68.3 | -55.6 | 0 | 0 | 0 | 111 | F305 M508 V512 V518 T519 S524 S525 | F305-Y521 HydrophobicContact CB-CD1 3.75Å; F305-Y521 HydrophobicContact CB-CD2 3.87Å; F305-Y521 HydrophobicContact CB-CE1 4.26Å; F305-Y521 HydrophobicContact CB-CE2 4.37Å; F305-Y521 HydrophobicContact CB-CG 3.55Å; F305-Y521 AromaticContact CD1-CD1 3.9Å; F305-Y521 HydrophobicContact CD1-CD1 3.9Å; F305-Y521 AromaticContact CD1-CE1 3.56Å; F305-Y521 HydrophobicContact CD1-CE1 3.56Å; F305-Y521 HydrophobicContact CD1-CE2 4.3Å; F305-Y521 HydrophobicContact CD1-CG 4.4Å; F305-Y521 AromaticContact CD1-CZ 3.8Å; F305-Y521 AromaticContact CD2-CD1 3.78Å; F305-Y521 HydrophobicContact CD2-CD1 3.78Å; F305-Y521 HydrophobicContact CD2-CE1 4.14Å; F305-Y521 HydrophobicContact CD2-CG 4.41Å; F305-Y521 HydrophobicContact CE1-CD1 4.45Å; F305-Y521 AromaticContact CE1-CE1 3.86Å; F305-Y521 HydrophobicContact CE1-CE1 3.86Å; F305-Y521 HydrophobicContact CE2-CD1 4.37Å; F305-Y521 HydrophobicContact CE2-CE1 4.42Å; F305-Y521 AromaticContact CG-CD1 3.52Å; F305-Y521 HydrophobicContact CG-CD1 3.52Å; F305-Y521 HydrophobicContact CG-CD2 4.37Å; F305-Y521 AromaticContact CG-CE1 3.72Å; F305-Y521 HydrophobicContact CG-CE1 3.72Å; F305-Y521 AromaticContact CG-CG 3.89Å; F305-Y521 HydrophobicContact CG-CG 3.89Å; F305-Y521 HydrophobicContact CZ-CE1 4.28Å; M508-Y521 HydrophobicContact CB-CD1 4Å; M508-Y521 HydrophobicContact CB-CE1 3.84Å; M508-Y521 HydrophobicContact SD-CD1 4.42Å; V512-Y521 HydrophobicContact CB-CE1 4.12Å; V512-Y521 HydrophobicContact CB-CE2 4.34Å; V512-Y521 HydrophobicContact CG1-CE2 4.22Å; V512-Y521 HydrophobicContact CG2-CD1 3.48Å; V512-Y521 VanDerWaalsContact CG2-CD1 3.48Å; V512-Y521 HydrophobicContact CG2-CD2 3.81Å; V512-Y521 HydrophobicContact CG2-CE1 3.25Å; V512-Y521 HydrophobicContact CG2-CE2 3.6Å; V512-Y521 HydrophobicContact CG2-CG 3.75Å; V518-Y521 HydrophobicContact CB-CD2 4.04Å; V518-Y521 HydrophobicContact CB-CE2 4.18Å; V518-Y521 HydrophobicContact CG1-CD2 4.42Å; V518-Y521 HydrophobicContact CG1-CE2 4.05Å; V518-Y521 WeakPolarHBondContact O-CB 3.49Å; V518-Y521 VanDerWaalsContact O-CD2 3.27Å; V518-Y521 WeakPolarHBondContact O-CD2 3.38Å; V518-Y521 PolarHBondContact O-N 2.8Å; V518-Y521 VanDerWaalsContact O-N 3.12Å; T519-Y521 PolarHBondContact O-N 3.35Å; Y521-S524 PolarHBondContact O-N 3.45Å; Y521-S525 PolarHBondContact O-N 3.11Å |
| 522 | I | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.8 | -39.2 | -178.2 | -51.9 | -58 | 0 | 0 | 0 | 110.9 | F302 Y306 F309 A380 I383 C384 T519 S524 S525 A526 | F302-I522 HydrophobicContact CD2-CD1 3.85Å; F302-I522 HydrophobicContact CE2-CD1 4.13Å; Y306-I522 HydrophobicContact CD2-CD1 4.48Å; F309-I522 HydrophobicContact CB-CD1 4.2Å; F309-I522 HydrophobicContact CB-CG1 4.1Å; F309-I522 HydrophobicContact CD1-CD1 4.17Å; F309-I522 HydrophobicContact CD1-CG1 3.82Å; F309-I522 HydrophobicContact CD2-CG1 3.8Å; F309-I522 HydrophobicContact CE1-CG1 4.21Å; F309-I522 HydrophobicContact CE2-CG1 4.19Å; F309-I522 HydrophobicContact CG-CD1 4.1Å; F309-I522 HydrophobicContact CG-CG1 3.6Å; F309-I522 HydrophobicContact CZ-CG1 4.38Å; A380-I522 HydrophobicContact CB-CG2 4.48Å; A380-I522 VanDerWaalsContact O-CG2 3.28Å; A380-I522 WeakPolarHBondContact O-CG2 3.16Å; I383-I522 HydrophobicContact CB-CG2 4.13Å; I383-I522 HydrophobicContact CG2-CG1 4.38Å; I383-I522 HydrophobicContact CG2-CG2 3.95Å; C384-I522 HydrophobicContact CB-CB 4.46Å; C384-I522 HydrophobicContact CB-CG2 4.01Å; T519-I522 PolarHBondContact O-N 2.9Å; I522-S524 VanDerWaalsContact C-N 3.31Å; I522-S524 PolarHBondContact O-N 2.98Å; I522-S525 WeakPolarHBondContact O-CB 3.39Å; I522-S525 PolarHBondContact O-N 3.37Å; I522-A526 PolarHBondContact O-N 3.22Å |
| 523 | A | 93.8 | Very high | 92.1 | Very high | 43 Ų | 43 | 52.6 Ų | 52.6 | 36% | 0.355 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T519 A526 L527 | T519-A523 PolarHBondContact O-N 3.31Å; A523-A526 PolarHBondContact O-N 2.83Å; A523-L527 PolarHBondContact O-N 3.16Å |
| 524 | S | 93.3 | Very high | 92.6 | Very high | 20 Ų | 20 | 51.5 Ų | 51.5 | 14% | 0.14 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 175.9 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | A520 Y521 I522 A526 L527 F528 | A520-S524 VanDerWaalsContact O-CB 3.25Å; A520-S524 WeakPolarHBondContact O-CB 3.39Å; A520-S524 PolarHBondContact O-N 3.08Å; A520-S524 PolarHBondContact O-OG 3.37Å; Y521-S524 PolarHBondContact O-N 3.45Å; I522-S524 VanDerWaalsContact C-N 3.31Å; I522-S524 PolarHBondContact O-N 2.98Å; S524-A526 PolarHBondContact O-N 2.91Å; S524-L527 WeakPolarHBondContact O-CB 3.02Å; S524-L527 PolarHBondContact O-N 3.44Å; S524-F528 WeakPolarHBondContact O-CD2 3.42Å; S524-F528 PolarHBondContact O-N 2.7Å |
| 525 | S | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 172.7 | 174.4 | 0 | 0 | 0 | 0 | 112.3 | A298 F376 Y521 I522 L527 F528 G529 | A298-S525 WeakPolarHBondContact CB-O 3.44Å; A298-S525 PolarHBondContact O-OG 3.41Å; F376-S525 WeakPolarHBondContact CE1-OG 3.5Å; F376-S525 WeakPolarHBondContact CZ-OG 3.5Å; Y521-S525 PolarHBondContact O-N 3.11Å; I522-S525 WeakPolarHBondContact O-CB 3.39Å; I522-S525 PolarHBondContact O-N 3.37Å; S525-L527 VanDerWaalsContact C-N 3.34Å; S525-L527 PolarHBondContact O-N 2.93Å; S525-F528 PolarHBondContact O-N 2.92Å; S525-G529 PolarHBondContact O-N 3.49Å |
| 526 | A | 95.8 | Very high | 93.1 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63 | -38.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A380 L381 I522 A523 S524 G529 A530 | A380-A526 HydrophobicContact CB-CB 3.96Å; L381-A526 HydrophobicContact CD2-CB 3.84Å; L381-A526 HydrophobicContact CG-CB 3.96Å; I522-A526 PolarHBondContact O-N 3.22Å; A523-A526 PolarHBondContact O-N 2.83Å; S524-A526 PolarHBondContact O-N 2.91Å; A526-G529 WeakPolarHBondContact O-CA 3.47Å; A526-G529 PolarHBondContact O-N 3.4Å; A526-A530 PolarHBondContact O-N 2.94Å |
| 527 | L | 95.5 | Very high | 93.3 | Very high | 109 Ų | 109 | 35.9 Ų | 35.9 | 57% | 0.571 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -62.4 | -46.9 | 175.1 | 179.4 | 64.5 | 0 | 0 | 0 | 111.5 | A523 S524 S525 G529 A530 V531 | A523-L527 PolarHBondContact O-N 3.16Å; S524-L527 WeakPolarHBondContact O-CB 3.02Å; S524-L527 PolarHBondContact O-N 3.44Å; S525-L527 VanDerWaalsContact C-N 3.34Å; S525-L527 PolarHBondContact O-N 2.93Å; L527-G529 VanDerWaalsContact C-N 3.25Å; L527-G529 PolarHBondContact O-N 3.49Å; L527-A530 PolarHBondContact O-N 3.41Å; L527-V531 WeakPolarHBondContact O-CG2 3.11Å; L527-V531 PolarHBondContact O-N 2.94Å |
| 528 | F | 95.6 | Very high | 93.4 | Very high | 38 Ų | 38 | 40.9 Ų | 40.9 | 17% | 0.167 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.5 | -36.3 | 174 | -66.9 | -46.8 | 0 | 0 | 0 | 111.9 | M297 A298 F507 M508 S524 S525 V531 A532 | M297-F528 HydrophobicContact CB-CD2 4.44Å; M297-F528 HydrophobicContact CB-CG 4.34Å; M297-F528 HydrophobicContact CE-CD1 4.1Å; M297-F528 HydrophobicContact CE-CD2 4.48Å; M297-F528 HydrophobicContact CE-CE1 3.68Å; M297-F528 HydrophobicContact CE-CE2 4.09Å; M297-F528 HydrophobicContact CE-CZ 3.68Å; A298-F528 HydrophobicContact CB-CB 3.74Å; F507-F528 HydrophobicContact CE1-CZ 4.37Å; F507-F528 AromaticContact CE2-CE2 3.98Å; F507-F528 HydrophobicContact CE2-CE2 3.98Å; F507-F528 AromaticContact CE2-CZ 3.8Å; F507-F528 HydrophobicContact CE2-CZ 3.8Å; F507-F528 AromaticContact CZ-CE2 3.56Å; F507-F528 HydrophobicContact CZ-CE2 3.56Å; F507-F528 AromaticContact CZ-CZ 3.38Å; F507-F528 HydrophobicContact CZ-CZ 3.38Å; M508-F528 HydrophobicContact CE-CD2 4.37Å; M508-F528 HydrophobicContact CE-CE2 3.72Å; S524-F528 WeakPolarHBondContact O-CD2 3.42Å; S524-F528 PolarHBondContact O-N 2.7Å; S525-F528 PolarHBondContact O-N 2.92Å; F528-V531 PolarHBondContact O-N 3.47Å; F528-A532 VanDerWaalsContact O-CB 3.24Å; F528-A532 WeakPolarHBondContact O-CB 3.41Å; F528-A532 PolarHBondContact O-N 3.26Å |
| 529 | G | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.7 | -44.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T377 S525 A526 L527 A532 I533 | T377-G529 VanDerWaalsContact OG1-C 3.22Å; T377-G529 WeakPolarHBondContact OG1-CA 3.26Å; S525-G529 PolarHBondContact O-N 3.49Å; A526-G529 WeakPolarHBondContact O-CA 3.47Å; A526-G529 PolarHBondContact O-N 3.4Å; L527-G529 VanDerWaalsContact C-N 3.25Å; L527-G529 PolarHBondContact O-N 3.49Å; G529-A532 WeakPolarHBondContact O-CB 3.38Å; G529-A532 PolarHBondContact O-N 3.39Å; G529-I533 VanDerWaalsContact O-CG1 3.3Å; G529-I533 WeakPolarHBondContact O-CG1 3.41Å; G529-I533 PolarHBondContact O-N 3.15Å |
| 530 | A | 96.6 | Very high | 93.5 | Very high | 49 Ų | 49 | 38.5 Ų | 38.5 | 41% | 0.405 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T377 A526 L527 A532 I533 Y534 | T377-A530 HydrophobicContact CG2-CB 4.5Å; A526-A530 PolarHBondContact O-N 2.94Å; L527-A530 PolarHBondContact O-N 3.41Å; A530-A532 VanDerWaalsContact C-N 3.33Å; A530-I533 PolarHBondContact O-N 3.05Å; A530-Y534 PolarHBondContact O-N 2.85Å; A530-Y534 VanDerWaalsContact O-N 3.14Å |
| 531 | V | 96.6 | Very high | 93.2 | Very high | 60 Ų | 60 | 38.2 Ų | 38.2 | 36% | 0.364 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.7 | -40.8 | 173.9 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | C294 L527 F528 I533 Y534 L535 | C294-V531 HydrophobicContact CB-CG1 4.43Å; L527-V531 WeakPolarHBondContact O-CG2 3.11Å; L527-V531 PolarHBondContact O-N 2.94Å; F528-V531 PolarHBondContact O-N 3.47Å; V531-I533 PolarHBondContact O-N 3.14Å; V531-Y534 WeakPolarHBondContact O-CB 3.46Å; V531-Y534 PolarHBondContact O-N 3.25Å; V531-L535 HydrophobicContact CG1-CD1 4.09Å; V531-L535 HydrophobicContact CG1-CG 4.42Å; V531-L535 WeakPolarHBondContact O-CG 3.3Å; V531-L535 PolarHBondContact O-N 2.89Å |
| 532 | A | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -43.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | C294 S295 M373 F528 G529 A530 Y534 L535 S536 | C294-A532 HydrophobicContact CB-CB 4.07Å; S295-A532 WeakPolarHBondContact OG-CB 3.43Å; M373-A532 HydrophobicContact SD-CB 4.37Å; F528-A532 VanDerWaalsContact O-CB 3.24Å; F528-A532 WeakPolarHBondContact O-CB 3.41Å; F528-A532 PolarHBondContact O-N 3.26Å; G529-A532 WeakPolarHBondContact O-CB 3.38Å; G529-A532 PolarHBondContact O-N 3.39Å; A530-A532 VanDerWaalsContact C-N 3.33Å; A532-Y534 VanDerWaalsContact C-N 3.33Å; A532-Y534 PolarHBondContact O-N 2.97Å; A532-L535 PolarHBondContact O-N 3.05Å; A532-S536 WeakPolarHBondContact O-CB 3.35Å; A532-S536 PolarHBondContact O-N 3.4Å; A532-S536 PolarHBondContact O-OG 3.4Å |
| 533 | I | 96.3 | Very high | 91.9 | Very high | 41 Ų | 41 | 45.8 Ų | 45.8 | 21% | 0.21 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.9 | -47.1 | 174.6 | -68.2 | 163.5 | 0 | 0 | 0 | 110.4 | L370 M373 V374 T377 G529 A530 V531 S536 T537 | L370-I533 HydrophobicContact CD1-CG2 3.92Å; M373-I533 HydrophobicContact CB-CG1 3.74Å; V374-I533 HydrophobicContact CB-CD1 4.43Å; V374-I533 HydrophobicContact CG2-CD1 3.86Å; V374-I533 HydrophobicContact CG2-CG1 4.13Å; V374-I533 HydrophobicContact CG2-CG2 4.34Å; T377-I533 HydrophobicContact CG2-CD1 4.38Å; T377-I533 WeakPolarHBondContact OG1-CD1 3.37Å; G529-I533 VanDerWaalsContact O-CG1 3.3Å; G529-I533 WeakPolarHBondContact O-CG1 3.41Å; G529-I533 PolarHBondContact O-N 3.15Å; A530-I533 PolarHBondContact O-N 3.05Å; V531-I533 PolarHBondContact O-N 3.14Å; I533-S536 WeakPolarHBondContact O-CB 3.44Å; I533-S536 PolarHBondContact O-N 3.03Å; I533-T537 PolarHBondContact O-N 3.01Å |
| 534 | Y | 95.4 | Very high | 90.9 | Very high | 134 Ų | 134 | 52 Ų | 52 | 53% | 0.525 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.3 | -50.5 | 177.2 | 175.5 | -97.5 | 0 | 0 | 0 | 111.7 | A530 V531 A532 S536 T537 R538 | A530-Y534 PolarHBondContact O-N 2.85Å; A530-Y534 VanDerWaalsContact O-N 3.14Å; V531-Y534 WeakPolarHBondContact O-CB 3.46Å; V531-Y534 PolarHBondContact O-N 3.25Å; A532-Y534 VanDerWaalsContact C-N 3.33Å; A532-Y534 PolarHBondContact O-N 2.97Å; Y534-S536 VanDerWaalsContact C-N 3.27Å; Y534-S536 PolarHBondContact O-N 3.31Å; Y534-T537 PolarHBondContact O-N 3.24Å; Y534-T537 PolarHBondContact O-OG1 3.25Å; Y534-R538 PolarHBondContact OH-NH2 3.12Å |
| 535 | L | 93.7 | Very high | 90.1 | Very high | 42 Ų | 42 | 52.4 Ų | 52.4 | 22% | 0.22 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.5 | -31.1 | 179.7 | -67.6 | 176.6 | 0 | 0 | 0 | 112.6 | A291 C294 V531 A532 T537 R538 | A291-L535 HydrophobicContact CB-CB 3.91Å; C294-L535 HydrophobicContact CB-CD1 3.94Å; C294-L535 WeakPolarHBondContact SG-CD1 3.35Å; V531-L535 HydrophobicContact CG1-CD1 4.09Å; V531-L535 HydrophobicContact CG1-CG 4.42Å; V531-L535 WeakPolarHBondContact O-CG 3.3Å; V531-L535 PolarHBondContact O-N 2.89Å; A532-L535 PolarHBondContact O-N 3.05Å; L535-T537 PolarHBondContact O-N 3.24Å; L535-R538 WeakPolarHBondContact O-CB 3.44Å; L535-R538 PolarHBondContact O-N 2.69Å |
| 536 | S | 91.3 | Very high | 89 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.8 | -30.3 | 176.2 | -57.2 | 0 | 0 | 0 | 0 | 112.5 | Y369 A532 I533 Y534 R538 I539 | Y369-S536 WeakPolarHBondContact CE1-OG 3.25Å; A532-S536 WeakPolarHBondContact O-CB 3.35Å; A532-S536 PolarHBondContact O-N 3.4Å; A532-S536 PolarHBondContact O-OG 3.4Å; I533-S536 WeakPolarHBondContact O-CB 3.44Å; I533-S536 PolarHBondContact O-N 3.03Å; Y534-S536 VanDerWaalsContact C-N 3.27Å; Y534-S536 PolarHBondContact O-N 3.31Å; S536-R538 PolarHBondContact O-N 3.47Å; S536-I539 PolarHBondContact O-N 3.47Å |
| 537 | T | 90 | Very high | 87.3 | Confident | 66 Ų | 66 | 66.6 Ų | 66.6 | 41% | 0.405 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -16.3 | 175.9 | 70.1 | 0 | 0 | 0 | 0 | 113.3 | L370 I533 Y534 L535 | L370-T537 HydrophobicContact CD1-CG2 4.36Å; I533-T537 PolarHBondContact O-N 3.01Å; Y534-T537 PolarHBondContact O-N 3.24Å; Y534-T537 PolarHBondContact O-OG1 3.25Å; L535-T537 PolarHBondContact O-N 3.24Å |
| 538 | R | 88.4 | Confident | 85.3 | Confident | 145 Ų | 145 | 68.6 Ų | 68.6 | 55% | 0.547 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -2.1 | 179 | -56.5 | -62.9 | -167.9 | 170.5 | 2.2 | 113.1 | Y534 L535 S536 | Y534-R538 PolarHBondContact OH-NH2 3.12Å; L535-R538 WeakPolarHBondContact O-CB 3.44Å; L535-R538 PolarHBondContact O-N 2.69Å; S536-R538 PolarHBondContact O-N 3.47Å |
| 539 | I | 89.9 | Confident | 84.8 | Confident | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -73.7 | 136.6 | 174.8 | -58.5 | 172.8 | 0 | 0 | 0 | 108.7 | L288 A291 Y369 L413 S536 F541 | L288-I539 HydrophobicContact CD1-CD1 4.15Å; L288-I539 HydrophobicContact CD1-CG2 4.13Å; A291-I539 HydrophobicContact CB-CD1 3.56Å; A291-I539 HydrophobicContact CB-CG1 3.71Å; Y369-I539 HydrophobicContact CD1-CD1 4.39Å; Y369-I539 HydrophobicContact CE1-CD1 4.16Å; L413-I539 HydrophobicContact CD2-CG2 3.65Å; S536-I539 PolarHBondContact O-N 3.47Å; I539-F541 HydrophobicContact CB-CD2 4.15Å; I539-F541 HydrophobicContact CB-CE2 3.56Å; I539-F541 HydrophobicContact CB-CZ 3.9Å; I539-F541 HydrophobicContact CD1-CE2 4.42Å; I539-F541 HydrophobicContact CD1-CZ 4.04Å; I539-F541 HydrophobicContact CG2-CD1 4.45Å; I539-F541 HydrophobicContact CG2-CD2 4.08Å; I539-F541 HydrophobicContact CG2-CE1 4.12Å; I539-F541 HydrophobicContact CG2-CE2 3.72Å; I539-F541 HydrophobicContact CG2-CG 4.45Å; I539-F541 HydrophobicContact CG2-CZ 3.74Å; I539-F541 WeakPolarHBondContact O-CD2 3.36Å; I539-F541 PolarHBondContact O-N 3.12Å |
| 540 | V | 88.5 | Confident | 84.2 | Confident | 7 Ų | 7 | 73.8 Ų | 73.8 | 4% | 0.042 | 37% | 0.365 | C | S | . | . | trans | -84.8 | 101.8 | 176.8 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | V284 Y417 Y424 D545 L546 | V284-V540 HydrophobicContact CG1-CB 4.15Å; V284-V540 HydrophobicContact CG2-CG2 4.38Å; Y417-V540 WeakPolarHBondContact CE1-O 3.3Å; Y417-V540 PolarHBondContact OH-O 3.47Å; Y424-V540 HydrophobicContact CD1-CG1 4.14Å; Y424-V540 HydrophobicContact CE1-CG1 3.71Å; V540-D545 HydrophobicContact CB-CB 4.36Å; V540-D545 HydrophobicContact CG1-CB 4Å; V540-L546 HydrophobicContact CG1-CD2 3.78Å; V540-L546 HydrophobicContact CG1-CG 3.8Å; V540-L546 HydrophobicContact CG2-CD2 4.36Å | ||
| 541 | F | 85.7 | Confident | 83.6 | Confident | 7 Ų | 7 | 75.2 Ų | 75.2 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | trans | -90.6 | -36.8 | 177.9 | -68.9 | -85.6 | 0 | 0 | 0 | 111.8 | P365 R366 Y369 V409 L413 I539 D545 | P365-F541 HydrophobicContact CB-CD1 3.94Å; P365-F541 HydrophobicContact CB-CE1 4.3Å; P365-F541 HydrophobicContact CG-CD1 4.1Å; R366-F541 HydrophobicContact CB-CB 4.06Å; R366-F541 HydrophobicContact CB-CD1 4.05Å; R366-F541 HydrophobicContact CB-CD2 3.6Å; R366-F541 HydrophobicContact CB-CE1 4.39Å; R366-F541 HydrophobicContact CB-CE2 3.96Å; R366-F541 HydrophobicContact CB-CG 3.62Å; R366-F541 HydrophobicContact CB-CZ 4.34Å; R366-F541 HydrophobicContact CG-CD2 3.59Å; R366-F541 HydrophobicContact CG-CE2 3.77Å; R366-F541 HydrophobicContact CG-CG 4.16Å; Y369-F541 HydrophobicContact CG-CZ 4.31Å; V409-F541 HydrophobicContact CG1-CE1 4.49Å; L413-F541 HydrophobicContact CD1-CD1 4.34Å; L413-F541 HydrophobicContact CD2-CD1 4.15Å; L413-F541 HydrophobicContact CD2-CE1 4.2Å; I539-F541 HydrophobicContact CB-CD2 4.15Å; I539-F541 HydrophobicContact CB-CE2 3.56Å; I539-F541 HydrophobicContact CB-CZ 3.9Å; I539-F541 HydrophobicContact CD1-CE2 4.42Å; I539-F541 HydrophobicContact CD1-CZ 4.04Å; I539-F541 HydrophobicContact CG2-CD1 4.45Å; I539-F541 HydrophobicContact CG2-CD2 4.08Å; I539-F541 HydrophobicContact CG2-CE1 4.12Å; I539-F541 HydrophobicContact CG2-CE2 3.72Å; I539-F541 HydrophobicContact CG2-CG 4.45Å; I539-F541 HydrophobicContact CG2-CZ 3.74Å; I539-F541 WeakPolarHBondContact O-CD2 3.36Å; I539-F541 PolarHBondContact O-N 3.12Å; F541-D545 PolarHBondContact N-OD2 3.3Å | ||
| 542 | D | 81.1 | Confident | 82.8 | Confident | 90 Ų | 90 | 76.1 Ų | 76.1 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -122.5 | 161.1 | -178.8 | -71.4 | -55.8 | 0 | 0 | 0 | 111.5 | K544 D545 | D542-K544 PolarHBondContact O-N 3.38Å; D542-K544 VanDerWaalsContact O-N 3.08Å; D542-D545 PolarHBondContact N-OD2 3.25Å; D542-D545 VanDerWaalsContact N-OD2 3.14Å; D542-D545 WeakPolarHBondContact O-CB 3.19Å; D542-D545 PolarHBondContact O-N 3.26Å |
| 543 | Q | 75.6 | Confident | 82 | Confident | 98 Ų | 98 | 80.8 Ų | 80.8 | 46% | 0.458 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -57.7 | -24.9 | 174.2 | -66.6 | -173.4 | -5.3 | 0 | 0 | 113.1 | E420 V423 Y424 D545 L546 | E420-Q543 PolarHBondContact OE2-NE2 3.21Å; V423-Q543 HydrophobicContact CG1-CG 4.03Å; Y424-Q543 HydrophobicContact CE2-CG 4.35Å; Y424-Q543 WeakPolarHBondContact OH-CG 3.44Å; Y424-Q543 PolarHBondContact OH-N 2.92Å; Y424-Q543 VanDerWaalsContact OH-N 3.13Å; Q543-D545 VanDerWaalsContact C-N 3.27Å; Q543-D545 PolarHBondContact O-N 3.07Å; Q543-L546 WeakPolarHBondContact O-CB 3.41Å; Q543-L546 PolarHBondContact O-N 3.34Å |
| 544 | K | 74 | Confident | 81 | Confident | 174 Ų | 174 | 83.5 Ų | 83.5 | 76% | 0.757 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -65 | -32.6 | 176.5 | -63.3 | 177.8 | -175.8 | 174.2 | 0 | 112.1 | D542 L546 R547 | D542-K544 PolarHBondContact O-N 3.38Å; D542-K544 VanDerWaalsContact O-N 3.08Å; K544-L546 PolarHBondContact O-N 3.12Å; K544-R547 PolarHBondContact O-N 3.07Å |
| 545 | D | 76 | Confident | 80 | Confident | 29 Ų | 29 | 79.9 Ų | 79.9 | 16% | 0.155 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -73.2 | -14.6 | -179.7 | -60.7 | -39.3 | 0 | 0 | 0 | 112 | R366 V540 F541 D542 Q543 R547 S548 | R366-D545 IonicContact NH1-OD1 3.54Å; R366-D545 PolarHBondContact NH1-OD1 3.27Å; R366-D545 IonicContact NH1-OD2 2.63Å; V540-D545 HydrophobicContact CB-CB 4.36Å; V540-D545 HydrophobicContact CG1-CB 4Å; F541-D545 PolarHBondContact N-OD2 3.3Å; D542-D545 PolarHBondContact N-OD2 3.25Å; D542-D545 VanDerWaalsContact N-OD2 3.14Å; D542-D545 WeakPolarHBondContact O-CB 3.19Å; D542-D545 PolarHBondContact O-N 3.26Å; Q543-D545 VanDerWaalsContact C-N 3.27Å; Q543-D545 PolarHBondContact O-N 3.07Å; D545-R547 PolarHBondContact O-N 3.28Å; D545-S548 PolarHBondContact O-OG 2.73Å |
| 546 | L | 71.3 | Confident | 78.9 | Confident | 66 Ų | 66 | 82.8 Ų | 82.8 | 35% | 0.346 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -71.7 | -16.8 | 174.8 | -70.3 | 169.5 | 0 | 0 | 0 | 113.6 | V284 V423 Y424 V540 Q543 K544 | V284-L546 HydrophobicContact CG2-CD2 3.7Å; V423-L546 HydrophobicContact CG1-CD1 3.67Å; Y424-L546 HydrophobicContact CD1-CD1 3.82Å; Y424-L546 HydrophobicContact CD1-CD2 4.1Å; Y424-L546 HydrophobicContact CD1-CG 4.24Å; Y424-L546 HydrophobicContact CE1-CD1 3.77Å; Y424-L546 HydrophobicContact CE1-CD2 4.44Å; Y424-L546 HydrophobicContact CE1-CG 4.14Å; V540-L546 HydrophobicContact CG1-CD2 3.78Å; V540-L546 HydrophobicContact CG1-CG 3.8Å; V540-L546 HydrophobicContact CG2-CD2 4.36Å; Q543-L546 WeakPolarHBondContact O-CB 3.41Å; Q543-L546 PolarHBondContact O-N 3.34Å; K544-L546 PolarHBondContact O-N 3.12Å |
| 547 | R | 60 | Low | 77.9 | Confident | 237 Ų | 237 | 89.4 Ų | 89.4 | 89% | 0.894 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -99.4 | -7.9 | -175.7 | -62.1 | -174.5 | -175.6 | -176.8 | 1.3 | 113.8 | K544 D545 | K544-R547 PolarHBondContact O-N 3.07Å; D545-R547 PolarHBondContact O-N 3.28Å |
| 548 | S | 54.5 | Low | 76.8 | Confident | 150 Ų | 150 | 91.5 Ų | 91.5 | 100% | 1.049 | 44% | 0.435 | S | S | * | . | trans | -96.7 | 0 | 176.6 | 71.9 | 0 | 0 | 0 | 0 | 111.4 | D545 | D545-S548 PolarHBondContact O-OG 2.73Š|
Retrieved 548 of 548 residues in 152.2 ms
(Link to these results)