| 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 | 79.9 | Confident | 92.1 | Very high | 124 Ų | 124 | 57.3 Ų | 57.3 | 61% | 0.611 | 30% | 0.299 | S | S | * | . | 0 | -176.6 | 0 | -60.8 | 177.6 | 130.3 | 0 | 0 | 110.5 | E309 F311 H312 | M1-E309 PolarHBondContact N-O 3.47Å; M1-F311 WeakPolarHBondContact CB-O 3.35Å; M1-F311 PolarHBondContact N-O 3.01Å; M1-H312 WeakPolarHBondContact CB-ND1 3.48Å; M1-H312 VanDerWaalsContact SD-CD2 3.52Å; M1-H312 PolarHBondContact SD-NE2 3.1Å; M1-H312 VanDerWaalsContact SD-NE2 3.43Å | |||
| 2 | D | 87.9 | Confident | 92.2 | Very high | 117 Ų | 117 | 64.8 Ų | 64.8 | 63% | 0.626 | 33% | 0.328 | S | S | * | . | trans | -57.1 | 134.5 | 174.8 | -68.2 | -31.5 | 0 | 0 | 0 | 110.8 | T4 H312 | D2-T4 PolarHBondContact O-N 3.46Å; D2-H312 PolarHBondContact O-ND1 3.43Å | ||
| 3 | P | 91.4 | Very high | 92.3 | Very high | 59 Ų | 59 | 64.6 Ų | 64.6 | 38% | 0.383 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -80.9 | 48.2 | -174 | 34.5 | -37.2 | 0 | 0 | 0 | 112.5 | I313 P339 | P3-I313 VanDerWaalsContact CA-O 3.27Å; P3-I313 WeakPolarHBondContact CA-O 3.3Å; P3-I313 WeakPolarHBondContact CB-O 3.1Å; P3-P339 HydrophobicContact CG-CG 4.07Å |
| 4 | T | 95 | Very high | 92.5 | Very high | 13 Ų | 13 | 60 Ų | 60 | 8% | 0.08 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -141.7 | 161.3 | -178.7 | 69.9 | 0 | 0 | 0 | 0 | 110.8 | D2 N6 S337 P339 | D2-T4 PolarHBondContact O-N 3.46Å; T4-N6 VanDerWaalsContact C-N 3.33Å; T4-N6 PolarHBondContact OG1-N 2.89Å; T4-N6 PolarHBondContact OG1-ND2 3.17Å; T4-S337 WeakPolarHBondContact CG2-O 3.32Å; T4-P339 HydrophobicContact CG2-CG 3.77Å |
| 5 | L | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -90.5 | 13.9 | 170.5 | -65 | -166.1 | 0 | 0 | 0 | 113.3 | S7 L8 I9 L34 N270 L272 V314 L336 | L5-S7 VanDerWaalsContact C-N 3.28Å; L5-S7 PolarHBondContact O-N 2.8Å; L5-L8 WeakPolarHBondContact O-CB 3.5Å; L5-L8 PolarHBondContact O-N 2.78Å; L5-I9 HydrophobicContact CB-CD1 4.05Å; L5-I9 HydrophobicContact CB-CG1 4.41Å; L5-I9 WeakPolarHBondContact O-CG1 3.32Å; L5-I9 PolarHBondContact O-N 2.93Å; L5-L34 HydrophobicContact CD1-CD1 3.99Å; L5-N270 HydrophobicContact CD2-CB 3.74Å; L5-N270 WeakPolarHBondContact CD2-OD1 3.38Å; L5-L272 HydrophobicContact CD1-CD1 4.39Å; L5-L272 HydrophobicContact CD1-CD2 3.94Å; L5-L272 HydrophobicContact CD2-CD2 4Å; L5-L272 HydrophobicContact CG-CD2 4Å; L5-V314 HydrophobicContact CD2-CG2 3.81Å; L5-V314 HydrophobicContact CG-CG2 3.99Å; L5-L336 HydrophobicContact CD1-CB 4.39Å; L5-L336 HydrophobicContact CD1-CD1 4.47Å; L5-L336 HydrophobicContact CD1-CD2 4.1Å; L5-L336 PolarHBondContact N-O 3.19Å |
| 6 | N | 94.7 | Very high | 92.4 | Very high | 51 Ų | 51 | 58.8 Ų | 58.8 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.5 | -39.8 | -175.6 | -70.6 | -29.5 | 0 | 0 | 0 | 112.2 | T4 L8 I9 E10 S337 | T4-N6 VanDerWaalsContact C-N 3.33Å; T4-N6 PolarHBondContact OG1-N 2.89Å; T4-N6 PolarHBondContact OG1-ND2 3.17Å; N6-L8 PolarHBondContact O-N 2.67Å; N6-I9 PolarHBondContact O-N 3.48Å; N6-E10 WeakPolarHBondContact O-CB 3.46Å; N6-E10 VanDerWaalsContact O-CG 3.31Å; N6-E10 WeakPolarHBondContact O-CG 3.46Å; N6-E10 PolarHBondContact O-N 2.99Å; N6-S337 PolarHBondContact ND2-O 3.39Å; N6-S337 VanDerWaalsContact OD1-CA 3.28Å; N6-S337 WeakPolarHBondContact OD1-CA 3.49Å; N6-S337 WeakPolarHBondContact OD1-CB 3.42Å; N6-S337 PolarHBondContact OD1-O 3.37Å |
| 7 | S | 92.4 | Very high | 92.5 | Very high | 54 Ų | 54 | 55.3 Ų | 55.3 | 38% | 0.378 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57 | -36.8 | 175.9 | 60 | 0 | 0 | 0 | 0 | 112.5 | L5 R11 H312 | L5-S7 VanDerWaalsContact C-N 3.28Å; L5-S7 PolarHBondContact O-N 2.8Å; S7-R11 VanDerWaalsContact O-CB 3.31Å; S7-R11 WeakPolarHBondContact O-CB 3.41Å; S7-R11 PolarHBondContact O-N 2.87Å; S7-H312 PolarHBondContact OG-CE1 3.15Å; S7-H312 PolarHBondContact OG-NE2 2.88Å |
| 8 | L | 94.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -77.5 | -44.2 | 176.6 | -179.8 | 157.5 | 0 | 0 | 0 | 111.7 | L5 N6 E10 R11 L14 I17 L34 T239 V241 | L5-L8 WeakPolarHBondContact O-CB 3.5Å; L5-L8 PolarHBondContact O-N 2.78Å; N6-L8 PolarHBondContact O-N 2.67Å; L8-E10 VanDerWaalsContact C-N 3.33Å; L8-E10 PolarHBondContact O-N 3.19Å; L8-R11 PolarHBondContact O-N 3.16Å; L8-L14 HydrophobicContact CD2-CD1 4.46Å; L8-L14 HydrophobicContact CG-CD1 3.89Å; L8-I17 HydrophobicContact CD2-CD1 3.94Å; L8-L34 HydrophobicContact CD2-CD1 3.74Å; L8-L34 HydrophobicContact CD2-CD2 4.32Å; L8-T239 HydrophobicContact CD1-CG2 3.71Å; L8-T239 HydrophobicContact CG-CG2 4.35Å; L8-V241 HydrophobicContact CD1-CG2 3.55Å |
| 9 | I | 94.9 | Very high | 92.7 | Very high | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.3 | -36.1 | -177.8 | -66.7 | 161.3 | 0 | 0 | 0 | 111.7 | L5 N6 L34 Q37 T41 | L5-I9 HydrophobicContact CB-CD1 4.05Å; L5-I9 HydrophobicContact CB-CG1 4.41Å; L5-I9 WeakPolarHBondContact O-CG1 3.32Å; L5-I9 PolarHBondContact O-N 2.93Å; N6-I9 PolarHBondContact O-N 3.48Å; I9-L34 HydrophobicContact CG1-CD1 4.17Å; I9-Q37 HydrophobicContact CD1-CB 3.79Å; I9-Q37 HydrophobicContact CD1-CG 4.25Å; I9-Q37 HydrophobicContact CG1-CB 4.25Å; I9-T41 HydrophobicContact CG2-CG2 3.92Å; I9-T41 PolarHBondContact O-OG1 2.88Å |
| 10 | E | 93.7 | Very high | 92.6 | Very high | 138 Ų | 138 | 47.1 Ų | 47.1 | 65% | 0.645 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -80.6 | -20.8 | 179.8 | -68.3 | 176.8 | 179.9 | 0 | 0 | 113.1 | N6 L8 K12 | N6-E10 WeakPolarHBondContact O-CB 3.46Å; N6-E10 VanDerWaalsContact O-CG 3.31Å; N6-E10 WeakPolarHBondContact O-CG 3.46Å; N6-E10 PolarHBondContact O-N 2.99Å; L8-E10 VanDerWaalsContact C-N 3.33Å; L8-E10 PolarHBondContact O-N 3.19Å; E10-K12 PolarHBondContact O-N 3.47Å |
| 11 | R | 93.7 | Very high | 92.5 | Very high | 64 Ų | 64 | 44.8 Ų | 44.8 | 24% | 0.242 | 23% | 0.229 | C | C | . | . | trans | -74.4 | 90 | -176.9 | -173.9 | 167.6 | 70.5 | 166.3 | 3.7 | 111.4 | S7 L8 S13 L14 R42 P235 D267 | S7-R11 VanDerWaalsContact O-CB 3.31Å; S7-R11 WeakPolarHBondContact O-CB 3.41Å; S7-R11 PolarHBondContact O-N 2.87Å; L8-R11 PolarHBondContact O-N 3.16Å; R11-S13 WeakPolarHBondContact CG-OG 3.13Å; R11-S13 PolarHBondContact O-N 3.15Å; R11-L14 HydrophobicContact CB-CD1 4.26Å; R11-L14 HydrophobicContact CB-CG 4.47Å; R11-L14 HydrophobicContact CG-CD1 4.41Å; R11-L14 HydrophobicContact CG-CG 4.14Å; R11-L14 VanDerWaalsContact NE-CD1 3.32Å; R11-L14 PolarHBondContact O-N 3.26Å; R11-R42 PolarHBondContact O-NH2 2.93Å; R11-P235 PolarHBondContact NH1-O 3.24Å; R11-P235 PolarHBondContact NH2-O 3.05Å; R11-D267 IonicContact NH2-OD2 3.14Å | ||
| 12 | K | 93.7 | Very high | 92.9 | Very high | 148 Ų | 148 | 42.3 Ų | 42.3 | 64% | 0.643 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18.7 | 179.9 | -65.5 | -165.4 | 176.4 | -166.8 | 0 | 115.7 | E10 L14 R42 | E10-K12 PolarHBondContact O-N 3.47Å; K12-L14 VanDerWaalsContact C-N 3.26Å; K12-L14 PolarHBondContact O-N 3.33Å; K12-R42 VanDerWaalsContact CA-CZ 3.45Å; K12-R42 PolarHBondContact O-NH1 3.26Å; K12-R42 PolarHBondContact O-NH2 3.36Å |
| 13 | S | 94.1 | Very high | 92.7 | Very high | 62 Ų | 62 | 38.8 Ų | 38.8 | 43% | 0.434 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -18.2 | 179.4 | 62.6 | 0 | 0 | 0 | 0 | 113.8 | R11 Q15 A236 | R11-S13 WeakPolarHBondContact CG-OG 3.13Å; R11-S13 PolarHBondContact O-N 3.15Å; S13-Q15 PolarHBondContact O-N 3.39Å; S13-A236 CarbonylContact C-O 3.58Å; S13-A236 VanDerWaalsContact CB-O 3.24Å; S13-A236 WeakPolarHBondContact CB-O 3.47Å; S13-A236 VanDerWaalsContact O-O 3.09Å; S13-A236 PolarHBondContact OG-O 2.85Å |
| 14 | L | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -66.8 | 130.2 | 178.1 | -77.1 | 173.1 | 0 | 0 | 0 | 110.8 | L8 R11 K12 I17 R42 A236 T239 | L8-L14 HydrophobicContact CD2-CD1 4.46Å; L8-L14 HydrophobicContact CG-CD1 3.89Å; R11-L14 HydrophobicContact CB-CD1 4.26Å; R11-L14 HydrophobicContact CB-CG 4.47Å; R11-L14 HydrophobicContact CG-CD1 4.41Å; R11-L14 HydrophobicContact CG-CG 4.14Å; R11-L14 VanDerWaalsContact NE-CD1 3.32Å; R11-L14 PolarHBondContact O-N 3.26Å; K12-L14 VanDerWaalsContact C-N 3.26Å; K12-L14 PolarHBondContact O-N 3.33Å; L14-I17 HydrophobicContact CD1-CD1 4.32Å; L14-I17 HydrophobicContact CD1-CG1 4.31Å; L14-R42 PolarHBondContact O-NH1 3.4Å; L14-R42 PolarHBondContact O-NH2 3.32Å; L14-A236 PolarHBondContact N-O 2.86Å; L14-T239 HydrophobicContact CD1-CG2 3.91Å; L14-T239 HydrophobicContact CD2-CG2 3.91Å | ||
| 15 | Q | 91.8 | Very high | 92.5 | Very high | 73 Ų | 73 | 38.5 Ų | 38.5 | 34% | 0.341 | 22% | 0.216 | S | C | . | . | trans | -112.8 | -30.2 | 174.7 | -58.6 | -171.6 | -58.1 | 0 | 0 | 110.8 | S13 V159 K237 | S13-Q15 PolarHBondContact O-N 3.39Å; Q15-V159 PolarHBondContact O-N 3.4Å; Q15-K237 PolarHBondContact N-O 2.76Å | ||
| 16 | W | 91.2 | Very high | 92.4 | Very high | 27 Ų | 27 | 39.5 Ų | 39.5 | 10% | 0.102 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 122.4 | -174.3 | -49.4 | 105.5 | 0 | 0 | 0 | 110.9 | F18 L148 I151 V159 F161 F232 K237 T238 T239 | W16-F18 HydrophobicContact CB-CE2 4.18Å; W16-L148 HydrophobicContact CE3-CD2 4.46Å; W16-L148 HydrophobicContact CH2-CD2 3.55Å; W16-L148 HydrophobicContact CZ2-CD2 4.26Å; W16-L148 HydrophobicContact CZ3-CD2 3.67Å; W16-I151 HydrophobicContact CH2-CG2 3.78Å; W16-I151 HydrophobicContact CZ3-CD1 4.33Å; W16-I151 HydrophobicContact CZ3-CG2 3.98Å; W16-V159 HydrophobicContact CE3-CB 3.71Å; W16-V159 HydrophobicContact CE3-CG1 4.17Å; W16-V159 HydrophobicContact CE3-CG2 4.13Å; W16-V159 HydrophobicContact CZ3-CB 3.78Å; W16-V159 HydrophobicContact CZ3-CG1 4.04Å; W16-V159 HydrophobicContact CZ3-CG2 3.79Å; W16-F161 AromaticContact CE3-CE2 3.6Å; W16-F161 HydrophobicContact CE3-CE2 3.6Å; W16-F161 HydrophobicContact CE3-CZ 4.4Å; W16-F161 AromaticContact CZ3-CE2 3.83Å; W16-F161 HydrophobicContact CZ3-CE2 3.83Å; W16-F161 HydrophobicContact CZ3-CZ 4.18Å; W16-F232 HydrophobicContact CB-CE1 4.4Å; W16-F232 HydrophobicContact CD2-CE1 4.13Å; W16-F232 HydrophobicContact CG-CD1 4.36Å; W16-F232 AromaticContact CG-CE1 3.96Å; W16-F232 HydrophobicContact CG-CE1 3.96Å; W16-K237 PolarHBondContact N-O 2.99Å; W16-T238 HydrophobicContact CB-CG2 4.01Å; W16-T238 WeakPolarHBondContact CB-OG1 3.38Å; W16-T238 VanDerWaalsContact CD1-OG1 3.31Å; W16-T238 VanDerWaalsContact O-CA 3.26Å; W16-T238 WeakPolarHBondContact O-CA 3.26Å; W16-T239 PolarHBondContact O-N 2.98Å; W16-T239 VanDerWaalsContact O-N 3.11Å |
| 17 | I | 94.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 117 | 176.7 | -59.1 | 167.6 | 0 | 0 | 0 | 108 | L8 L14 V19 L34 L38 V158 V159 I160 F161 T239 V241 | L8-I17 HydrophobicContact CD2-CD1 3.94Å; L14-I17 HydrophobicContact CD1-CD1 4.32Å; L14-I17 HydrophobicContact CD1-CG1 4.31Å; I17-V19 HydrophobicContact CG2-CG2 4.45Å; I17-L34 HydrophobicContact CG2-CD2 3.81Å; I17-L38 HydrophobicContact CD1-CD1 3.53Å; I17-L38 HydrophobicContact CD1-CD2 4.48Å; I17-V158 HydrophobicContact CD1-CG2 3.62Å; I17-V158 HydrophobicContact CG1-CG2 4.04Å; I17-V159 PolarHBondContact N-O 3.23Å; I17-I160 HydrophobicContact CB-CG1 4.3Å; I17-I160 HydrophobicContact CD1-CG1 4.49Å; I17-I160 CarbonylContact O-C 3.57Å; I17-I160 VanDerWaalsContact O-CA 3.25Å; I17-I160 WeakPolarHBondContact O-CA 3.41Å; I17-F161 PolarHBondContact O-N 2.95Å; I17-T239 WeakPolarHBondContact CA-O 3.38Å; I17-T239 HydrophobicContact CG1-CG2 4.17Å; I17-T239 HydrophobicContact CG2-CG2 4.32Å; I17-V241 HydrophobicContact CG2-CG2 4.05Å |
| 18 | F | 93 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 134.7 | 174.3 | -67.3 | -89.6 | 0 | 0 | 0 | 109.3 | W16 F144 F161 T163 L173 F232 T238 T239 F240 V241 M266 | W16-F18 HydrophobicContact CB-CE2 4.18Å; F18-F144 HydrophobicContact CE1-CE2 4.13Å; F18-F144 HydrophobicContact CE1-CZ 4.08Å; F18-F144 HydrophobicContact CZ-CE2 4.46Å; F18-F144 HydrophobicContact CZ-CZ 4.01Å; F18-F161 HydrophobicContact CD1-CB 3.57Å; F18-F161 AromaticContact CD1-CD2 3.98Å; F18-F161 HydrophobicContact CD1-CD2 3.98Å; F18-F161 AromaticContact CD1-CG 4Å; F18-F161 HydrophobicContact CD1-CG 4Å; F18-F161 HydrophobicContact CE1-CB 3.82Å; F18-F161 AromaticContact CE1-CD2 3.47Å; F18-F161 HydrophobicContact CE1-CD2 3.47Å; F18-F161 VanDerWaalsContact CE1-CD2 3.47Å; F18-F161 HydrophobicContact CE1-CE2 4.13Å; F18-F161 AromaticContact CE1-CG 3.7Å; F18-F161 HydrophobicContact CE1-CG 3.7Å; F18-F161 HydrophobicContact CE2-CD2 4.43Å; F18-F161 HydrophobicContact CG-CB 4.38Å; F18-F161 AromaticContact CZ-CD2 3.72Å; F18-F161 HydrophobicContact CZ-CD2 3.72Å; F18-F161 HydrophobicContact CZ-CE2 4.07Å; F18-F161 HydrophobicContact CZ-CG 4.41Å; F18-T163 HydrophobicContact CD1-CG2 3.99Å; F18-L173 HydrophobicContact CD1-CD2 4.26Å; F18-L173 HydrophobicContact CE1-CD2 3.86Å; F18-L173 HydrophobicContact CE2-CD2 4.29Å; F18-L173 HydrophobicContact CZ-CD2 3.88Å; F18-F232 HydrophobicContact CE2-CD1 4.25Å; F18-F232 HydrophobicContact CE2-CE1 4.12Å; F18-F232 HydrophobicContact CE2-CE2 4.41Å; F18-F232 HydrophobicContact CE2-CZ 4.23Å; F18-F232 HydrophobicContact CZ-CD1 4.49Å; F18-F232 HydrophobicContact CZ-CD2 4.38Å; F18-F232 AromaticContact CZ-CE1 4Å; F18-F232 HydrophobicContact CZ-CE1 4Å; F18-F232 AromaticContact CZ-CE2 3.84Å; F18-F232 HydrophobicContact CZ-CE2 3.84Å; F18-F232 AromaticContact CZ-CZ 3.68Å; F18-F232 HydrophobicContact CZ-CZ 3.68Å; F18-T238 HydrophobicContact CD2-CG2 3.9Å; F18-T238 HydrophobicContact CE2-CG2 3.74Å; F18-T239 PolarHBondContact N-O 2.81Å; F18-F240 HydrophobicContact CB-CB 4.47Å; F18-F240 HydrophobicContact CB-CD2 3.36Å; F18-F240 HydrophobicContact CB-CE2 3.73Å; F18-F240 HydrophobicContact CB-CG 4.04Å; F18-F240 HydrophobicContact CG-CD2 4.24Å; F18-F240 CarbonylContact O-C 3.58Å; F18-F240 WeakPolarHBondContact O-CA 3.25Å; F18-V241 PolarHBondContact O-N 3.34Å; F18-M266 HydrophobicContact CD2-CE 3.9Å; F18-M266 HydrophobicContact CE2-CE 4.13Å |
| 19 | V | 94.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.1 | 172.7 | -174.1 | 0 | 0 | 0 | 0 | 108 | I17 S31 L34 I160 F161 T163 V241 V243 | I17-V19 HydrophobicContact CG2-CG2 4.45Å; V19-S31 VanDerWaalsContact CB-OG 3.25Å; V19-S31 WeakPolarHBondContact CB-OG 3.2Å; V19-S31 VanDerWaalsContact CG1-OG 3.26Å; V19-S31 WeakPolarHBondContact CG1-OG 3.23Å; V19-L34 HydrophobicContact CG2-CD2 4.18Å; V19-I160 HydrophobicContact CG2-CG2 4Å; V19-F161 PolarHBondContact N-O 2.95Å; V19-T163 WeakPolarHBondContact O-CB 3.46Å; V19-T163 WeakPolarHBondContact O-CG2 3.45Å; V19-T163 PolarHBondContact O-N 3.27Å; V19-T163 VanDerWaalsContact O-N 3.13Å; V19-T163 PolarHBondContact O-OG1 3.41Å; V19-V241 WeakPolarHBondContact CA-O 3.49Å; V19-V241 HydrophobicContact CG2-CB 4.35Å; V19-V243 HydrophobicContact CG1-CG2 3.55Å |
| 20 | G | 92.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 163 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | T163 V241 C242 V243 | G20-T163 VanDerWaalsContact CA-OG1 3.3Å; G20-T163 WeakPolarHBondContact CA-OG1 3.25Å; G20-V241 PolarHBondContact N-O 3.2Å; G20-V241 VanDerWaalsContact N-O 3.1Å; G20-C242 CarbonylContact O-C 3.55Å; G20-C242 WeakPolarHBondContact O-CA 3.47Å; G20-V243 PolarHBondContact O-N 2.82Å |
| 21 | G | 90.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.6 | -175.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K27 T166 V243 | G21-K27 WeakPolarHBondContact O-CD 3.46Å; G21-T166 WeakPolarHBondContact O-CG2 3.35Å; G21-T166 PolarHBondContact O-N 3.42Å; G21-V243 WeakPolarHBondContact CA-O 3.48Å |
| 22 | K | 86.4 | Confident | 93 | Very high | 72 Ų | 72 | 27.2 Ų | 27.2 | 31% | 0.313 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -65.9 | 159.2 | 177.1 | -168.5 | 176.7 | 176.9 | -178.6 | 0 | 111.2 | V25 E253 | K22-V25 HydrophobicContact CB-CG1 4.09Å; K22-V25 VanDerWaalsContact O-CG2 3.25Å; K22-V25 WeakPolarHBondContact O-CG2 3.07Å; K22-E253 HydrophobicContact CB-CG 4.24Å; K22-E253 HydrophobicContact CD-CB 4.38Å; K22-E253 HydrophobicContact CG-CG 4.41Å |
| 23 | G | 84.2 | Confident | 93.2 | Very high | 43 Ų | 43 | 20.1 Ų | 20.1 | 44% | 0.443 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 141.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 24 | G | 88.3 | Confident | 93.4 | Very high | 64 Ų | 64 | 17.2 Ų | 17.2 | 66% | 0.66 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85 | 2.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q275 | G24-Q275 PolarHBondContact O-NE2 2.97Å; G24-Q275 VanDerWaalsContact O-NE2 3.11Å |
| 25 | V | 93.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.012 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -88.9 | -1.6 | -177.8 | -54.8 | 0 | 0 | 0 | 0 | 114.5 | K22 K27 V243 I245 N274 | K22-V25 HydrophobicContact CB-CG1 4.09Å; K22-V25 VanDerWaalsContact O-CG2 3.25Å; K22-V25 WeakPolarHBondContact O-CG2 3.07Å; V25-K27 HydrophobicContact CG2-CD 4.34Å; V25-K27 HydrophobicContact CG2-CG 3.49Å; V25-K27 VanDerWaalsContact CG2-CG 3.49Å; V25-V243 HydrophobicContact CB-CG1 4.43Å; V25-V243 HydrophobicContact CG2-CB 4.04Å; V25-V243 HydrophobicContact CG2-CG1 3.81Å; V25-I245 HydrophobicContact CB-CG2 4.01Å; V25-I245 HydrophobicContact CG1-CG1 4.25Å; V25-I245 HydrophobicContact CG1-CG2 4.14Å; V25-N274 WeakPolarHBondContact O-CB 3.44Å; V25-N274 PolarHBondContact O-ND2 3.31Å |
| 26 | G | 93.8 | Very high | 93.8 | Very high | 20 Ų | 20 | 13.9 Ų | 13.9 | 21% | 0.206 | 10% | 0.1 | C | C | . | . | trans | 83.5 | 33.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T29 C30 | G26-T29 PolarHBondContact O-N 2.83Å; G26-C30 PolarHBondContact O-N 3.34Å; G26-C30 VanDerWaalsContact O-N 3.09Å; G26-C30 PolarHBondContact O-SG 3.19Å | ||
| 27 | K | 94.1 | Very high | 94.1 | Very high | 12 Ų | 12 | 12.9 Ų | 12.9 | 5% | 0.052 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -53.3 | -56.4 | 178.3 | -52.7 | -170.6 | -51 | -59.7 | 0 | 111.9 | G21 V25 T29 C30 S31 T163 V243 | G21-K27 WeakPolarHBondContact O-CD 3.46Å; V25-K27 HydrophobicContact CG2-CD 4.34Å; V25-K27 HydrophobicContact CG2-CG 3.49Å; V25-K27 VanDerWaalsContact CG2-CG 3.49Å; K27-T29 VanDerWaalsContact C-N 3.33Å; K27-T29 PolarHBondContact O-N 2.8Å; K27-C30 CarbonylContact O-C 3.6Å; K27-C30 WeakPolarHBondContact O-CA 3.38Å; K27-C30 WeakPolarHBondContact O-CB 3.4Å; K27-C30 PolarHBondContact O-N 2.99Å; K27-S31 PolarHBondContact O-N 3.19Å; K27-S31 PolarHBondContact O-OG 3.35Å; K27-T163 WeakPolarHBondContact CE-O 3.19Å; K27-V243 HydrophobicContact CG-CB 4.39Å |
| 28 | T | 94.7 | Very high | 94.2 | Very high | 12 Ų | 12 | 12.9 Ų | 12.9 | 7% | 0.074 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.5 | -43 | -176.9 | -52.5 | 0 | 0 | 0 | 0 | 112.4 | C30 S31 C32 N55 V56 A59 D162 | T28-C30 VanDerWaalsContact C-N 3.34Å; T28-C30 PolarHBondContact O-N 2.99Å; T28-S31 WeakPolarHBondContact O-CB 3.14Å; T28-S31 PolarHBondContact O-N 3.21Å; T28-C32 WeakPolarHBondContact O-CB 3.44Å; T28-C32 PolarHBondContact O-N 3.42Å; T28-C32 PolarHBondContact O-SG 2.85Å; T28-N55 HydrophobicContact CG2-CB 3.69Å; T28-V56 HydrophobicContact CG2-CB 4.49Å; T28-V56 HydrophobicContact CG2-CG2 3.7Å; T28-A59 HydrophobicContact CG2-CB 4.42Å; T28-D162 WeakPolarHBondContact CA-OD2 3.48Å; T28-D162 VanDerWaalsContact CB-OD2 3.27Å; T28-D162 WeakPolarHBondContact CB-OD2 3.45Å; T28-D162 WeakPolarHBondContact CG2-OD2 3.16Å; T28-D162 PolarHBondContact OG1-OD2 3.38Å |
| 29 | T | 96.1 | Very high | 94.4 | Very high | 35 Ų | 35 | 13.9 Ų | 13.9 | 22% | 0.215 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | 174.1 | -51 | 0 | 0 | 0 | 0 | 111.4 | G26 K27 C32 S33 V323 F332 | G26-T29 PolarHBondContact O-N 2.83Å; K27-T29 VanDerWaalsContact C-N 3.33Å; K27-T29 PolarHBondContact O-N 2.8Å; T29-C32 PolarHBondContact O-N 3.03Å; T29-S33 VanDerWaalsContact O-CB 3.29Å; T29-S33 WeakPolarHBondContact O-CB 3.49Å; T29-S33 PolarHBondContact O-N 3.36Å; T29-S33 PolarHBondContact O-OG 3.37Å; T29-V323 HydrophobicContact CG2-CB 3.74Å; T29-V323 HydrophobicContact CG2-CG1 3.84Å; T29-V323 HydrophobicContact CG2-CG2 4.11Å; T29-F332 HydrophobicContact CG2-CD1 3.87Å; T29-F332 HydrophobicContact CG2-CE1 3.92Å |
| 30 | C | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.3 | -40.9 | 176.6 | -63.7 | 0 | 0 | 0 | 0 | 112.3 | G26 K27 T28 S33 L34 V243 L272 | G26-C30 PolarHBondContact O-N 3.34Å; G26-C30 VanDerWaalsContact O-N 3.09Å; G26-C30 PolarHBondContact O-SG 3.19Å; K27-C30 CarbonylContact O-C 3.6Å; K27-C30 WeakPolarHBondContact O-CA 3.38Å; K27-C30 WeakPolarHBondContact O-CB 3.4Å; K27-C30 PolarHBondContact O-N 2.99Å; T28-C30 VanDerWaalsContact C-N 3.34Å; T28-C30 PolarHBondContact O-N 2.99Å; C30-S33 PolarHBondContact O-N 3.26Å; C30-L34 VanDerWaalsContact O-CB 3.32Å; C30-L34 WeakPolarHBondContact O-CB 3.32Å; C30-L34 PolarHBondContact O-N 3.11Å; C30-V243 HydrophobicContact CB-CG1 4.49Å; C30-V243 HydrophobicContact CB-CG2 4.08Å; C30-L272 HydrophobicContact CB-CD1 3.67Å |
| 31 | S | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.3 | -50 | 176 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | V19 K27 T28 S33 L34 A35 D162 | V19-S31 VanDerWaalsContact CB-OG 3.25Å; V19-S31 WeakPolarHBondContact CB-OG 3.2Å; V19-S31 VanDerWaalsContact CG1-OG 3.26Å; V19-S31 WeakPolarHBondContact CG1-OG 3.23Å; K27-S31 PolarHBondContact O-N 3.19Å; K27-S31 PolarHBondContact O-OG 3.35Å; T28-S31 WeakPolarHBondContact O-CB 3.14Å; T28-S31 PolarHBondContact O-N 3.21Å; S31-S33 PolarHBondContact O-N 3.1Å; S31-L34 PolarHBondContact O-N 2.86Å; S31-A35 WeakPolarHBondContact O-CB 3.17Å; S31-A35 PolarHBondContact O-N 3.16Å; S31-D162 PolarHBondContact OG-OD1 2.87Å |
| 32 | C | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | 177.1 | -67.1 | 0 | 0 | 0 | 0 | 112 | T28 T29 A35 A36 F60 I329 | T28-C32 WeakPolarHBondContact O-CB 3.44Å; T28-C32 PolarHBondContact O-N 3.42Å; T28-C32 PolarHBondContact O-SG 2.85Å; T29-C32 PolarHBondContact O-N 3.03Å; C32-A35 WeakPolarHBondContact O-CB 3.5Å; C32-A35 PolarHBondContact O-N 2.98Å; C32-A36 WeakPolarHBondContact O-CB 3.46Å; C32-A36 PolarHBondContact O-N 3.48Å; C32-F60 HydrophobicContact CB-CE2 3.88Å; C32-F60 HydrophobicContact CB-CZ 3.74Å; C32-F60 WeakPolarHBondContact SG-CE2 3.4Å; C32-I329 HydrophobicContact CB-CD1 4.03Å; C32-I329 HydrophobicContact CB-CG2 4.13Å |
| 33 | S | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.3 | -38.9 | 176.8 | -74.5 | 0 | 0 | 0 | 0 | 112.8 | T29 C30 S31 A35 A36 Q37 I329 F332 S333 | T29-S33 VanDerWaalsContact O-CB 3.29Å; T29-S33 WeakPolarHBondContact O-CB 3.49Å; T29-S33 PolarHBondContact O-N 3.36Å; T29-S33 PolarHBondContact O-OG 3.37Å; C30-S33 PolarHBondContact O-N 3.26Å; S31-S33 PolarHBondContact O-N 3.1Å; S33-A35 VanDerWaalsContact C-N 3.34Å; S33-A36 PolarHBondContact O-N 2.82Å; S33-Q37 PolarHBondContact O-N 3.43Å; S33-I329 PolarHBondContact OG-O 3.5Å; S33-F332 WeakPolarHBondContact OG-CD1 3.25Å; S33-S333 VanDerWaalsContact O-CB 3.26Å; S33-S333 WeakPolarHBondContact O-CB 3.27Å |
| 34 | L | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.2 | -42 | 173.2 | 178.1 | 55.1 | 0 | 0 | 0 | 111 | L5 L8 I9 I17 V19 C30 S31 A36 Q37 L38 V241 L336 | L5-L34 HydrophobicContact CD1-CD1 3.99Å; L8-L34 HydrophobicContact CD2-CD1 3.74Å; L8-L34 HydrophobicContact CD2-CD2 4.32Å; I9-L34 HydrophobicContact CG1-CD1 4.17Å; I17-L34 HydrophobicContact CG2-CD2 3.81Å; V19-L34 HydrophobicContact CG2-CD2 4.18Å; C30-L34 VanDerWaalsContact O-CB 3.32Å; C30-L34 WeakPolarHBondContact O-CB 3.32Å; C30-L34 PolarHBondContact O-N 3.11Å; S31-L34 PolarHBondContact O-N 2.86Å; L34-A36 PolarHBondContact O-N 2.93Å; L34-Q37 PolarHBondContact O-N 3.43Å; L34-L38 HydrophobicContact CD1-CD1 4.04Å; L34-L38 HydrophobicContact CD1-CG 4.27Å; L34-L38 HydrophobicContact CG-CD1 3.96Å; L34-L38 WeakPolarHBondContact O-CG 3.49Å; L34-L38 PolarHBondContact O-N 2.71Å; L34-V241 HydrophobicContact CD2-CG2 4.24Å; L34-L336 HydrophobicContact CB-CD1 4.18Å |
| 35 | A | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.5 | -46.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S31 C32 S33 Q37 L38 T39 V45 I47 L77 I160 | S31-A35 WeakPolarHBondContact O-CB 3.17Å; S31-A35 PolarHBondContact O-N 3.16Å; C32-A35 WeakPolarHBondContact O-CB 3.5Å; C32-A35 PolarHBondContact O-N 2.98Å; S33-A35 VanDerWaalsContact C-N 3.34Å; A35-Q37 VanDerWaalsContact C-N 3.32Å; A35-Q37 PolarHBondContact O-N 3.39Å; A35-L38 PolarHBondContact O-N 3.16Å; A35-T39 WeakPolarHBondContact O-CG2 3.4Å; A35-T39 PolarHBondContact O-N 2.95Å; A35-T39 VanDerWaalsContact O-N 3.15Å; A35-V45 HydrophobicContact CB-CG1 4.23Å; A35-I47 HydrophobicContact CB-CB 4.36Å; A35-I47 HydrophobicContact CB-CD1 4.42Å; A35-L77 HydrophobicContact CB-CD1 3.7Å; A35-L77 HydrophobicContact CB-CD2 4.4Å; A35-I160 HydrophobicContact CB-CD1 3.33Å |
| 36 | A | 97.5 | Very high | 96.2 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 2% | 0.017 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.2 | -40.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C32 S33 L34 T39 F74 I329 | C32-A36 WeakPolarHBondContact O-CB 3.46Å; C32-A36 PolarHBondContact O-N 3.48Å; S33-A36 PolarHBondContact O-N 2.82Å; L34-A36 PolarHBondContact O-N 2.93Å; A36-T39 PolarHBondContact O-OG1 3.06Å; A36-F74 HydrophobicContact CB-CE1 3.93Å; A36-F74 HydrophobicContact CB-CZ 3.66Å; A36-I329 HydrophobicContact CB-CG2 4.05Å |
| 37 | Q | 97.2 | Very high | 96.3 | Very high | 7 Ų | 7 | 22.8 Ų | 22.8 | 3% | 0.033 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68 | -41.3 | 175.5 | -73.9 | -67.8 | -16.6 | 0 | 0 | 112.9 | I9 S33 L34 A35 T39 K40 S333 | I9-Q37 HydrophobicContact CD1-CB 3.79Å; I9-Q37 HydrophobicContact CD1-CG 4.25Å; I9-Q37 HydrophobicContact CG1-CB 4.25Å; S33-Q37 PolarHBondContact O-N 3.43Å; L34-Q37 PolarHBondContact O-N 3.43Å; A35-Q37 VanDerWaalsContact C-N 3.32Å; A35-Q37 PolarHBondContact O-N 3.39Å; Q37-T39 PolarHBondContact O-N 3.05Å; Q37-K40 VanDerWaalsContact CD-NZ 3.34Å; Q37-K40 VanDerWaalsContact NE2-NZ 3.12Å; Q37-K40 WeakPolarHBondContact O-CB 3.39Å; Q37-K40 PolarHBondContact O-N 2.84Å; Q37-K40 VanDerWaalsContact O-N 3.15Å; Q37-S333 WeakPolarHBondContact CG-O 3.49Å; Q37-S333 PolarHBondContact NE2-O 3.49Å; Q37-S333 PolarHBondContact NE2-OG 3.2Å |
| 38 | L | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.6 | -28.6 | 179.5 | -75.9 | 162.3 | 0 | 0 | 0 | 112.8 | I17 L34 A35 K40 T41 R42 V45 V158 I160 | I17-L38 HydrophobicContact CD1-CD1 3.53Å; I17-L38 HydrophobicContact CD1-CD2 4.48Å; L34-L38 HydrophobicContact CD1-CD1 4.04Å; L34-L38 HydrophobicContact CD1-CG 4.27Å; L34-L38 HydrophobicContact CG-CD1 3.96Å; L34-L38 WeakPolarHBondContact O-CG 3.49Å; L34-L38 PolarHBondContact O-N 2.71Å; A35-L38 PolarHBondContact O-N 3.16Å; L38-K40 PolarHBondContact O-N 2.97Å; L38-T41 PolarHBondContact O-N 3.39Å; L38-T41 PolarHBondContact O-OG1 3.39Å; L38-R42 HydrophobicContact CB-CG 4.24Å; L38-R42 HydrophobicContact CD2-CG 4.07Å; L38-R42 VanDerWaalsContact O-CB 3.32Å; L38-R42 WeakPolarHBondContact O-CB 3.28Å; L38-R42 WeakPolarHBondContact O-CG 3.36Å; L38-R42 PolarHBondContact O-N 3.34Å; L38-V45 HydrophobicContact CB-CG1 4.37Å; L38-V45 HydrophobicContact CB-CG2 3.97Å; L38-V158 HydrophobicContact CB-CG1 4.46Å; L38-V158 HydrophobicContact CD1-CG1 4.31Å; L38-I160 HydrophobicContact CD1-CD1 3.63Å; L38-I160 HydrophobicContact CD1-CG1 4.05Å |
| 39 | T | 96.8 | Very high | 95.9 | Very high | 20 Ų | 20 | 21.6 Ų | 21.6 | 12% | 0.123 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -22.3 | 175.6 | 66 | 0 | 0 | 0 | 0 | 113.9 | A35 A36 Q37 V45 F74 N76 L77 | A35-T39 WeakPolarHBondContact O-CG2 3.4Å; A35-T39 PolarHBondContact O-N 2.95Å; A35-T39 VanDerWaalsContact O-N 3.15Å; A36-T39 PolarHBondContact O-OG1 3.06Å; Q37-T39 PolarHBondContact O-N 3.05Å; T39-V45 HydrophobicContact CG2-CB 4.36Å; T39-V45 HydrophobicContact CG2-CG2 4.18Å; T39-F74 HydrophobicContact CG2-CD1 3.88Å; T39-F74 HydrophobicContact CG2-CE1 4.3Å; T39-N76 WeakPolarHBondContact CB-OD1 3.47Å; T39-N76 PolarHBondContact O-ND2 3.25Å; T39-L77 HydrophobicContact CG2-CB 3.65Å; T39-L77 HydrophobicContact CG2-CD1 4.24Å; T39-L77 HydrophobicContact CG2-CD2 4.39Å; T39-L77 HydrophobicContact CG2-CG 4.29Å |
| 40 | K | 95.4 | Very high | 95.1 | Very high | 136 Ų | 136 | 20.7 Ų | 20.7 | 59% | 0.591 | 10% | 0.103 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -26.7 | 179.1 | -59.5 | 176.4 | -174.4 | 166.1 | 0 | 112.6 | Q37 L38 | Q37-K40 VanDerWaalsContact CD-NZ 3.34Å; Q37-K40 VanDerWaalsContact NE2-NZ 3.12Å; Q37-K40 WeakPolarHBondContact O-CB 3.39Å; Q37-K40 PolarHBondContact O-N 2.84Å; Q37-K40 VanDerWaalsContact O-N 3.15Å; L38-K40 PolarHBondContact O-N 2.97Å |
| 41 | T | 95.2 | Very high | 94.2 | Very high | 46 Ų | 46 | 21.8 Ų | 21.8 | 28% | 0.282 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | -16.9 | -173.3 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | I9 L38 | I9-T41 HydrophobicContact CG2-CG2 3.92Å; I9-T41 PolarHBondContact O-OG1 2.88Å; L38-T41 PolarHBondContact O-N 3.39Å; L38-T41 PolarHBondContact O-OG1 3.39Å |
| 42 | R | 95.5 | Very high | 93 | Very high | 8 Ų | 8 | 25.2 Ų | 25.2 | 3% | 0.03 | 13% | 0.131 | C | C | . | . | trans | -112.6 | 151.5 | -175.8 | -55.2 | -40.6 | -154 | 97.9 | 8.4 | 112.3 | R11 K12 L14 L38 V45 N76 D157 V158 | R11-R42 PolarHBondContact O-NH2 2.93Å; K12-R42 VanDerWaalsContact CA-CZ 3.45Å; K12-R42 PolarHBondContact O-NH1 3.26Å; K12-R42 PolarHBondContact O-NH2 3.36Å; L14-R42 PolarHBondContact O-NH1 3.4Å; L14-R42 PolarHBondContact O-NH2 3.32Å; L38-R42 HydrophobicContact CB-CG 4.24Å; L38-R42 HydrophobicContact CD2-CG 4.07Å; L38-R42 VanDerWaalsContact O-CB 3.32Å; L38-R42 WeakPolarHBondContact O-CB 3.28Å; L38-R42 WeakPolarHBondContact O-CG 3.36Å; L38-R42 PolarHBondContact O-N 3.34Å; R42-V45 HydrophobicContact CB-CG2 3.85Å; R42-V45 HydrophobicContact CG-CG2 4.42Å; R42-N76 PolarHBondContact O-ND2 3.36Å; R42-D157 VanDerWaalsContact CB-OD2 3.29Å; R42-D157 WeakPolarHBondContact CB-OD2 3.3Å; R42-D157 VanDerWaalsContact CD-OD2 3.27Å; R42-D157 WeakPolarHBondContact CD-OD2 3.49Å; R42-D157 IonicContact CZ-OD2 2.75Å; R42-D157 IonicContact NE-OD2 2.55Å; R42-D157 IonicContact NH1-OD1 3.67Å; R42-D157 PolarHBondContact NH1-OD1 2.97Å; R42-D157 VanDerWaalsContact NH1-OD1 3.14Å; R42-D157 IonicContact NH1-OD2 2.73Å; R42-D157 PolarHBondContact NH1-OD2 2.87Å; R42-V158 HydrophobicContact CB-CG1 4.3Å; R42-V158 HydrophobicContact CG-CG1 3.85Å | ||
| 43 | E | 94.5 | Very high | 92.1 | Very high | 174 Ų | 174 | 27.8 Ų | 27.8 | 81% | 0.813 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -75.4 | -38.7 | -179.7 | -67.9 | -174.4 | 179.7 | 0 | 0 | 112.3 | N76 | E43-N76 WeakPolarHBondContact O-CB 3.28Å; E43-N76 PolarHBondContact O-ND2 3.17Å |
| 44 | S | 95 | Very high | 91.3 | Very high | 25 Ų | 25 | 31.8 Ų | 31.8 | 18% | 0.175 | 17% | 0.171 | C | C | . | . | trans | -147.2 | 128.6 | -179.9 | 59.6 | 0 | 0 | 0 | 0 | 110.7 | F156 D157 V158 | S44-F156 WeakPolarHBondContact OG-CA 3.41Å; S44-D157 WeakPolarHBondContact O-CB 3.35Å; S44-D157 PolarHBondContact O-N 3.43Å; S44-D157 VanDerWaalsContact O-N 3.15Å; S44-D157 PolarHBondContact OG-N 2.95Å; S44-V158 PolarHBondContact O-N 3.3Å | ||
| 45 | V | 97.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.4 | -177.1 | -178 | 0 | 0 | 0 | 0 | 108.9 | A35 L38 T39 R42 N76 L77 Y78 V158 I160 | A35-V45 HydrophobicContact CB-CG1 4.23Å; L38-V45 HydrophobicContact CB-CG1 4.37Å; L38-V45 HydrophobicContact CB-CG2 3.97Å; T39-V45 HydrophobicContact CG2-CB 4.36Å; T39-V45 HydrophobicContact CG2-CG2 4.18Å; R42-V45 HydrophobicContact CB-CG2 3.85Å; R42-V45 HydrophobicContact CG-CG2 4.42Å; V45-N76 PolarHBondContact N-O 2.84Å; V45-L77 HydrophobicContact CB-CD1 3.91Å; V45-L77 HydrophobicContact CG1-CD1 3.66Å; V45-L77 WeakPolarHBondContact O-CA 3.36Å; V45-Y78 PolarHBondContact O-N 3.15Å; V45-V158 HydrophobicContact CB-CG1 4.3Å; V45-V158 HydrophobicContact CG1-CG1 4.09Å; V45-V158 HydrophobicContact CG2-CG1 3.87Å; V45-I160 HydrophobicContact CG1-CD1 3.74Å |
| 46 | L | 95.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.1 | 172.5 | 176.4 | 66 | 0 | 0 | 0 | 110.1 | V48 P68 Y78 M80 I151 F156 V158 V159 I160 | L46-V48 HydrophobicContact CD2-CG2 3.93Å; L46-V48 HydrophobicContact CG-CG2 3.95Å; L46-P68 HydrophobicContact CD1-CB 3.97Å; L46-P68 HydrophobicContact CD1-CG 4.09Å; L46-Y78 CarbonylContact C-O 3.54Å; L46-Y78 WeakPolarHBondContact CA-O 2.87Å; L46-M80 HydrophobicContact CD1-CG 4.16Å; L46-M80 HydrophobicContact CD1-SD 4.22Å; L46-M80 HydrophobicContact CD2-SD 3.91Å; L46-M80 HydrophobicContact CG-SD 4.47Å; L46-I151 HydrophobicContact CD2-CD1 3.67Å; L46-I151 HydrophobicContact CD2-CG1 3.58Å; L46-F156 HydrophobicContact CB-CB 4.32Å; L46-F156 HydrophobicContact CB-CD1 3.87Å; L46-F156 HydrophobicContact CB-CD2 3.88Å; L46-F156 HydrophobicContact CB-CE1 4.15Å; L46-F156 HydrophobicContact CB-CE2 4.13Å; L46-F156 HydrophobicContact CB-CG 3.74Å; L46-F156 HydrophobicContact CB-CZ 4.27Å; L46-F156 HydrophobicContact CD1-CE2 4.35Å; L46-F156 HydrophobicContact CD1-CZ 4.34Å; L46-F156 HydrophobicContact CD2-CD2 3.7Å; L46-F156 HydrophobicContact CD2-CE2 3.74Å; L46-F156 HydrophobicContact CD2-CG 4.4Å; L46-F156 HydrophobicContact CD2-CZ 4.48Å; L46-F156 HydrophobicContact CG-CD2 4.35Å; L46-F156 HydrophobicContact CG-CE2 4.3Å; L46-V158 PolarHBondContact N-O 2.89Å; L46-V159 HydrophobicContact CB-CG2 4.35Å; L46-V159 HydrophobicContact CD2-CG1 4.39Å; L46-V159 HydrophobicContact CD2-CG2 4.41Å; L46-V159 CarbonylContact O-C 3.59Å; L46-V159 WeakPolarHBondContact O-CA 3.48Å; L46-I160 PolarHBondContact O-N 3.2Å |
| 47 | I | 95.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 129.7 | 164.9 | -172.1 | 170.5 | 0 | 0 | 0 | 110 | A35 V56 Y78 A79 M80 I160 | A35-I47 HydrophobicContact CB-CB 4.36Å; A35-I47 HydrophobicContact CB-CD1 4.42Å; I47-V56 HydrophobicContact CD1-CG2 4.32Å; I47-V56 HydrophobicContact CG2-CG1 4.31Å; I47-Y78 PolarHBondContact N-O 3.28Å; I47-A79 HydrophobicContact CG2-CB 3.53Å; I47-A79 WeakPolarHBondContact O-CA 3.45Å; I47-M80 PolarHBondContact O-N 3.17Å; I47-I160 CarbonylContact C-O 3.5Å; I47-I160 WeakPolarHBondContact CA-O 3.44Å; I47-I160 HydrophobicContact CG1-CB 4.43Å; I47-I160 HydrophobicContact CG1-CG2 4.46Å |
| 48 | V | 91.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 119.7 | 178.7 | -175 | 0 | 0 | 0 | 0 | 108.4 | L46 M80 I82 V147 I151 V159 I160 F161 D162 | L46-V48 HydrophobicContact CD2-CG2 3.93Å; L46-V48 HydrophobicContact CG-CG2 3.95Å; V48-M80 WeakPolarHBondContact CA-O 3.4Å; V48-M80 HydrophobicContact CB-CG 4.14Å; V48-M80 HydrophobicContact CG1-CG 3.96Å; V48-M80 HydrophobicContact CG1-SD 4.33Å; V48-M80 HydrophobicContact CG2-CG 3.82Å; V48-M80 HydrophobicContact CG2-SD 3.81Å; V48-I82 HydrophobicContact CG1-CD1 3.73Å; V48-V147 HydrophobicContact CG1-CG1 3.76Å; V48-V147 HydrophobicContact CG2-CG1 4.1Å; V48-I151 HydrophobicContact CG2-CD1 3.9Å; V48-V159 HydrophobicContact CG2-CG1 3.84Å; V48-I160 PolarHBondContact N-O 2.74Å; V48-F161 HydrophobicContact CB-CD1 3.86Å; V48-F161 HydrophobicContact CB-CE1 4.01Å; V48-F161 HydrophobicContact CG1-CD1 4.08Å; V48-F161 HydrophobicContact CG1-CE1 4.02Å; V48-F161 HydrophobicContact CG2-CD1 4.39Å; V48-F161 HydrophobicContact CG2-CE1 4.16Å; V48-D162 PolarHBondContact O-N 3.48Å |
| 49 | S | 89.3 | Confident | 90.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 130.5 | 167.9 | -170.6 | 0 | 0 | 0 | 0 | 110.7 | D51 M80 I82 | S49-D51 PolarHBondContact OG-N 2.73Å; S49-M80 PolarHBondContact N-O 3.17Å; S49-I82 PolarHBondContact O-N 2.96Å |
| 50 | T | 79.3 | Confident | 90.1 | Very high | 16 Ų | 16 | 38.4 Ų | 38.4 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | trans | -107 | 3.9 | 167.4 | 56.7 | 0 | 0 | 0 | 0 | 112 | P52 D162 A164 | T50-P52 WeakPolarHBondContact O-CD 3.36Å; T50-D162 PolarHBondContact N-O 3.48Å; T50-D162 VanDerWaalsContact N-O 3.09Å; T50-D162 PolarHBondContact OG1-O 3.11Å; T50-A164 PolarHBondContact OG1-N 3.21Å | ||
| 51 | D | 77.1 | Confident | 90.1 | Very high | 23 Ų | 23 | 37.1 Ų | 37.1 | 12% | 0.123 | 21% | 0.207 | C | C | . | . | trans | -81.5 | 122 | 177.4 | -166.3 | -30.6 | 0 | 0 | 0 | 109.9 | S49 A53 H54 N55 | S49-D51 PolarHBondContact OG-N 2.73Å; D51-A53 PolarHBondContact O-N 3.41Å; D51-A53 WeakPolarHBondContact OD1-CB 3.02Å; D51-A53 PolarHBondContact OD1-N 3.39Å; D51-H54 PolarHBondContact O-N 2.95Å; D51-N55 PolarHBondContact OD2-ND2 2.87Å | ||
| 52 | P | 71.5 | Confident | 90 | Very high | 72 Ų | 72 | 36.1 Ų | 36.1 | 47% | 0.468 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -16.6 | 178.2 | -23.8 | 33.3 | 0 | 0 | 0 | 114.6 | T50 H54 | T50-P52 WeakPolarHBondContact O-CD 3.36Å; P52-H54 PolarHBondContact O-CD2 2.78Å; P52-H54 PolarHBondContact O-N 3.32Å |
| 53 | A | 78.5 | Confident | 90 | Very high | 54 Ų | 54 | 44.5 Ų | 44.5 | 45% | 0.446 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -2.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D51 N55 | D51-A53 PolarHBondContact O-N 3.41Å; D51-A53 WeakPolarHBondContact OD1-CB 3.02Å; D51-A53 PolarHBondContact OD1-N 3.39Å; A53-N55 WeakPolarHBondContact CB-OD1 3.02Å; A53-N55 PolarHBondContact O-N 3.39Å |
| 54 | H | 81.4 | Confident | 89.9 | Confident | 84 Ų | 84 | 36.5 Ų | 36.5 | 39% | 0.389 | 20% | 0.198 | S | C | . | . | trans | 55 | 35.1 | -178.4 | -62.8 | -71.2 | 0 | 0 | 0 | 113.9 | D51 P52 V56 S57 D58 E81 | D51-H54 PolarHBondContact O-N 2.95Å; P52-H54 PolarHBondContact O-CD2 2.78Å; P52-H54 PolarHBondContact O-N 3.32Å; H54-V56 VanDerWaalsContact C-N 3.25Å; H54-V56 PolarHBondContact O-N 3.09Å; H54-S57 WeakPolarHBondContact O-CB 3.09Å; H54-S57 PolarHBondContact O-N 3.24Å; H54-D58 PolarHBondContact O-N 2.74Å; H54-E81 WeakPolarHBondContact CA-OE1 3.26Å; H54-E81 WeakPolarHBondContact CB-OE2 3.19Å; H54-E81 IonicContact CE1-OE2 2.87Å; H54-E81 IonicContact CG-OE2 3.14Å; H54-E81 IonicContact ND1-OE2 2.91Å; H54-E81 PolarHBondContact ND1-OE2 2.82Å | ||
| 55 | N | 88.8 | Confident | 89.6 | Confident | 53 Ų | 53 | 38.7 Ų | 38.7 | 28% | 0.283 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.7 | -24.5 | -173.6 | -65.6 | -36.6 | 0 | 0 | 0 | 113.3 | T28 D51 A53 A59 | T28-N55 HydrophobicContact CG2-CB 3.69Å; D51-N55 PolarHBondContact OD2-ND2 2.87Å; A53-N55 WeakPolarHBondContact CB-OD1 3.02Å; A53-N55 PolarHBondContact O-N 3.39Å; N55-A59 WeakPolarHBondContact O-CB 3.44Å; N55-A59 PolarHBondContact O-N 3.14Å |
| 56 | V | 92.5 | Very high | 89 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.1 | -38.9 | 179.6 | 172.6 | 0 | 0 | 0 | 0 | 109.9 | T28 I47 H54 D58 A59 F60 F64 A79 E81 | T28-V56 HydrophobicContact CG2-CB 4.49Å; T28-V56 HydrophobicContact CG2-CG2 3.7Å; I47-V56 HydrophobicContact CD1-CG2 4.32Å; I47-V56 HydrophobicContact CG2-CG1 4.31Å; H54-V56 VanDerWaalsContact C-N 3.25Å; H54-V56 PolarHBondContact O-N 3.09Å; V56-D58 VanDerWaalsContact C-N 3.34Å; V56-D58 PolarHBondContact O-N 2.94Å; V56-A59 PolarHBondContact O-N 3.41Å; V56-F60 HydrophobicContact CG1-CD2 3.84Å; V56-F60 HydrophobicContact CG1-CE2 4.01Å; V56-F60 WeakPolarHBondContact O-CD2 3.3Å; V56-F60 PolarHBondContact O-N 3.3Å; V56-F60 VanDerWaalsContact O-N 3.1Å; V56-F64 HydrophobicContact CG1-CD2 3.95Å; V56-F64 HydrophobicContact CG1-CE2 4Å; V56-A79 HydrophobicContact CG1-CB 4.13Å; V56-E81 HydrophobicContact CB-CG 4.38Å; V56-E81 WeakPolarHBondContact CB-OE1 3.27Å; V56-E81 PolarHBondContact N-OE1 3.18Å |
| 57 | S | 93.9 | Very high | 88.5 | Confident | 13 Ų | 13 | 48 Ų | 48 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.7 | -45.7 | 173.4 | -69.2 | 0 | 0 | 0 | 0 | 111.9 | H54 N61 Q62 F64 E81 | H54-S57 WeakPolarHBondContact O-CB 3.09Å; H54-S57 PolarHBondContact O-N 3.24Å; S57-N61 WeakPolarHBondContact O-CA 3.22Å; S57-N61 PolarHBondContact O-N 3.2Å; S57-Q62 CarbonylContact C-O 3.6Å; S57-Q62 WeakPolarHBondContact CA-O 3.28Å; S57-Q62 WeakPolarHBondContact CB-O 3.15Å; S57-Q62 PolarHBondContact O-N 3.17Å; S57-Q62 PolarHBondContact OG-O 3.25Å; S57-F64 PolarHBondContact OG-N 3.44Å; S57-E81 PolarHBondContact N-OE1 3.49Å; S57-E81 PolarHBondContact OG-OE1 3.22Å; S57-E81 PolarHBondContact OG-OE2 3.32Å |
| 58 | D | 93.2 | Very high | 88.3 | Confident | 86 Ų | 86 | 49.6 Ų | 49.6 | 46% | 0.46 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67 | -37.8 | 176.9 | -80.1 | -9 | 0 | 0 | 0 | 112.6 | H54 V56 N61 | H54-D58 PolarHBondContact O-N 2.74Å; V56-D58 VanDerWaalsContact C-N 3.34Å; V56-D58 PolarHBondContact O-N 2.94Å; D58-N61 PolarHBondContact O-N 2.96Å; D58-N61 PolarHBondContact O-OD1 3.18Å |
| 59 | A | 94.7 | Very high | 88.4 | Confident | 9 Ų | 9 | 52 Ų | 52 | 7% | 0.074 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T28 N55 V56 G325 I329 | T28-A59 HydrophobicContact CG2-CB 4.42Å; N55-A59 WeakPolarHBondContact O-CB 3.44Å; N55-A59 PolarHBondContact O-N 3.14Å; V56-A59 PolarHBondContact O-N 3.41Å; A59-G325 PolarHBondContact O-N 3.39Å; A59-I329 HydrophobicContact CB-CD1 4.12Å; A59-I329 VanDerWaalsContact O-CD1 3.25Å; A59-I329 WeakPolarHBondContact O-CD1 3.43Å |
| 60 | F | 96.2 | Very high | 88.8 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -87.5 | -6.1 | 179.9 | -72.7 | -69.6 | 0 | 0 | 0 | 114.4 | C32 V56 Q62 F64 V71 F74 L77 I329 | C32-F60 HydrophobicContact CB-CE2 3.88Å; C32-F60 HydrophobicContact CB-CZ 3.74Å; C32-F60 WeakPolarHBondContact SG-CE2 3.4Å; V56-F60 HydrophobicContact CG1-CD2 3.84Å; V56-F60 HydrophobicContact CG1-CE2 4.01Å; V56-F60 WeakPolarHBondContact O-CD2 3.3Å; V56-F60 PolarHBondContact O-N 3.3Å; V56-F60 VanDerWaalsContact O-N 3.1Å; F60-Q62 HydrophobicContact CB-CB 4.31Å; F60-Q62 PolarHBondContact O-N 3.11Å; F60-F64 HydrophobicContact CB-CE2 3.94Å; F60-F64 HydrophobicContact CB-CZ 4.09Å; F60-F64 AromaticContact CD2-CE2 3.88Å; F60-F64 HydrophobicContact CD2-CE2 3.88Å; F60-F64 HydrophobicContact CD2-CZ 4.21Å; F60-F64 HydrophobicContact CG-CE2 4.29Å; F60-F64 HydrophobicContact CG-CZ 4.39Å; F60-V71 HydrophobicContact CB-CG1 4.28Å; F60-V71 HydrophobicContact CD1-CG1 3.42Å; F60-V71 VanDerWaalsContact CD1-CG1 3.42Å; F60-V71 HydrophobicContact CD2-CG1 4.27Å; F60-V71 HydrophobicContact CE1-CG1 3.71Å; F60-V71 HydrophobicContact CE2-CG1 4.49Å; F60-V71 HydrophobicContact CG-CG1 3.74Å; F60-V71 HydrophobicContact CZ-CG1 4.24Å; F60-F74 HydrophobicContact CE1-CE2 4.02Å; F60-L77 HydrophobicContact CE1-CD2 4.2Å; F60-L77 HydrophobicContact CZ-CD2 3.86Å; F60-I329 HydrophobicContact CD1-CD1 3.42Å; F60-I329 VanDerWaalsContact CD1-CD1 3.42Å; F60-I329 HydrophobicContact CD2-CD1 4.42Å; F60-I329 HydrophobicContact CE1-CD1 3.43Å; F60-I329 VanDerWaalsContact CE1-CD1 3.43Å; F60-I329 HydrophobicContact CE1-CG2 4.16Å; F60-I329 HydrophobicContact CE2-CD1 4.44Å; F60-I329 HydrophobicContact CG-CD1 3.95Å; F60-I329 HydrophobicContact CZ-CD1 3.97Å |
| 61 | N | 94.7 | Very high | 89.7 | Confident | 109 Ų | 109 | 54.9 Ų | 54.9 | 58% | 0.583 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 35.2 | -167.7 | -67.7 | -33.5 | 0 | 0 | 0 | 112.8 | S57 D58 | S57-N61 WeakPolarHBondContact O-CA 3.22Å; S57-N61 PolarHBondContact O-N 3.2Å; D58-N61 PolarHBondContact O-N 2.96Å; D58-N61 PolarHBondContact O-OD1 3.18Å |
| 62 | Q | 94.9 | Very high | 90.6 | Very high | 26 Ų | 26 | 60.4 Ų | 60.4 | 12% | 0.121 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -140 | 129.1 | -177.7 | -179.8 | -177.2 | -6.8 | 0 | 0 | 108.9 | S57 F60 F64 L70 | S57-Q62 CarbonylContact C-O 3.6Å; S57-Q62 WeakPolarHBondContact CA-O 3.28Å; S57-Q62 WeakPolarHBondContact CB-O 3.15Å; S57-Q62 PolarHBondContact O-N 3.17Å; S57-Q62 PolarHBondContact OG-O 3.25Å; F60-Q62 HydrophobicContact CB-CB 4.31Å; F60-Q62 PolarHBondContact O-N 3.11Å; Q62-F64 HydrophobicContact CB-CE1 4.3Å; Q62-F64 HydrophobicContact CB-CE2 4.19Å; Q62-F64 HydrophobicContact CB-CZ 3.76Å; Q62-F64 HydrophobicContact CG-CE1 3.8Å; Q62-F64 HydrophobicContact CG-CZ 3.8Å; Q62-F64 VanDerWaalsContact O-CD2 3.3Å; Q62-F64 WeakPolarHBondContact O-CD2 3.24Å; Q62-F64 VanDerWaalsContact O-CE2 3.24Å; Q62-F64 WeakPolarHBondContact O-CE2 3.49Å; Q62-F64 PolarHBondContact O-N 2.87Å; Q62-L70 PolarHBondContact NE2-O 3.22Å |
| 63 | K | 93.8 | Very high | 91.7 | Very high | 183 Ų | 183 | 59.4 Ų | 59.4 | 80% | 0.796 | 33% | 0.328 | S | S | * | . | trans | -76.9 | 123.3 | -179.4 | -172.1 | 171.5 | -175.9 | 173.2 | 0 | 111 | ||||
| 64 | F | 92.8 | Very high | 92.6 | Very high | 6 Ų | 6 | 58.1 Ų | 58.1 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | trans | -103.6 | 164.8 | 174.2 | -58.3 | -65.2 | 0 | 0 | 0 | 111.9 | V56 S57 F60 Q62 V71 A79 E81 | V56-F64 HydrophobicContact CG1-CD2 3.95Å; V56-F64 HydrophobicContact CG1-CE2 4Å; S57-F64 PolarHBondContact OG-N 3.44Å; F60-F64 HydrophobicContact CB-CE2 3.94Å; F60-F64 HydrophobicContact CB-CZ 4.09Å; F60-F64 AromaticContact CD2-CE2 3.88Å; F60-F64 HydrophobicContact CD2-CE2 3.88Å; F60-F64 HydrophobicContact CD2-CZ 4.21Å; F60-F64 HydrophobicContact CG-CE2 4.29Å; F60-F64 HydrophobicContact CG-CZ 4.39Å; Q62-F64 HydrophobicContact CB-CE1 4.3Å; Q62-F64 HydrophobicContact CB-CE2 4.19Å; Q62-F64 HydrophobicContact CB-CZ 3.76Å; Q62-F64 HydrophobicContact CG-CE1 3.8Å; Q62-F64 HydrophobicContact CG-CZ 3.8Å; Q62-F64 VanDerWaalsContact O-CD2 3.3Å; Q62-F64 WeakPolarHBondContact O-CD2 3.24Å; Q62-F64 VanDerWaalsContact O-CE2 3.24Å; Q62-F64 WeakPolarHBondContact O-CE2 3.49Å; Q62-F64 PolarHBondContact O-N 2.87Å; F64-V71 HydrophobicContact CE1-CG2 4.03Å; F64-V71 HydrophobicContact CZ-CB 4.48Å; F64-V71 HydrophobicContact CZ-CG1 4.38Å; F64-V71 HydrophobicContact CZ-CG2 3.82Å; F64-A79 HydrophobicContact CD1-CB 3.67Å; F64-A79 HydrophobicContact CD2-CB 3.86Å; F64-A79 HydrophobicContact CE1-CB 3.64Å; F64-A79 HydrophobicContact CE2-CB 3.83Å; F64-A79 HydrophobicContact CG-CB 3.78Å; F64-A79 HydrophobicContact CZ-CB 3.73Å; F64-E81 HydrophobicContact CB-CG 4Å | ||
| 65 | T | 88.9 | Confident | 93.3 | Very high | 72 Ų | 72 | 59 Ų | 59 | 44% | 0.442 | 33% | 0.328 | S | S | . | . | trans | -135.4 | -174.7 | 178 | 69.4 | 0 | 0 | 0 | 0 | 109.2 | S67 M80 E81 | T65-S67 PolarHBondContact O-N 3.28Å; T65-S67 PolarHBondContact OG1-N 3.45Å; T65-M80 WeakPolarHBondContact O-CA 3.23Å; T65-E81 CarbonylContact C-O 3.54Å; T65-E81 PolarHBondContact O-N 3.49Å | ||
| 66 | K | 84.5 | Confident | 93.7 | Very high | 124 Ų | 124 | 57.7 Ų | 57.7 | 54% | 0.539 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -62.4 | -18.6 | 173.9 | 66.9 | 178.2 | -174.6 | 172.7 | 0 | 114.6 | M80 E81 | K66-M80 WeakPolarHBondContact O-CE 3.48Å; K66-E81 WeakPolarHBondContact CA-O 3.24Å; K66-E81 PolarHBondContact N-O 2.65Å |
| 67 | S | 86.2 | Confident | 93.9 | Very high | 71 Ų | 71 | 57.7 Ų | 57.7 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -92.6 | 130.9 | 176.3 | -62.2 | 0 | 0 | 0 | 0 | 110.2 | T65 T69 | T65-S67 PolarHBondContact O-N 3.28Å; T65-S67 PolarHBondContact OG1-N 3.45Å; S67-T69 PolarHBondContact O-N 2.95Å; S67-T69 PolarHBondContact O-OG1 2.79Å |
| 68 | P | 91.1 | Very high | 94 | Very high | 34 Ų | 34 | 60.6 Ų | 60.6 | 22% | 0.221 | 33% | 0.331 | C | S | . | . | trans | -55.7 | 124.8 | 177.3 | -32.1 | 41.2 | 0 | 0 | 0 | 112.4 | L46 M80 M154 F156 | L46-P68 HydrophobicContact CD1-CB 3.97Å; L46-P68 HydrophobicContact CD1-CG 4.09Å; P68-M80 HydrophobicContact CG-CB 4.32Å; P68-M80 HydrophobicContact CG-SD 3.91Å; P68-M154 HydrophobicContact CB-SD 4.3Å; P68-M154 HydrophobicContact CG-CE 3.34Å; P68-M154 HydrophobicContact CG-SD 3.56Å; P68-M154 VanDerWaalsContact CG-SD 3.56Å; P68-F156 HydrophobicContact CB-CZ 4.25Å; P68-F156 HydrophobicContact CG-CE2 4.49Å | ||
| 69 | T | 94.1 | Very high | 94.1 | Very high | 51 Ų | 51 | 56.5 Ų | 56.5 | 31% | 0.313 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 137.3 | -177.2 | -56.3 | 0 | 0 | 0 | 0 | 108.5 | S67 V71 Y78 A79 | S67-T69 PolarHBondContact O-N 2.95Å; S67-T69 PolarHBondContact O-OG1 2.79Å; T69-V71 PolarHBondContact O-N 2.88Å; T69-Y78 CarbonylContact O-C 3.54Å; T69-Y78 VanDerWaalsContact O-CA 3.29Å; T69-Y78 WeakPolarHBondContact O-CA 3.26Å; T69-A79 PolarHBondContact N-O 3Å; T69-A79 PolarHBondContact O-N 3.28Å |
| 70 | L | 96.7 | Very high | 93.9 | Very high | 75 Ų | 75 | 56 Ų | 56 | 39% | 0.393 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 131.1 | 178.3 | -173.5 | 74.3 | 0 | 0 | 0 | 110 | Q62 L77 Y78 | Q62-L70 PolarHBondContact NE2-O 3.22Å; L70-L77 WeakPolarHBondContact CD1-O 3.39Å; L70-Y78 HydrophobicContact CB-CD1 4.28Å; L70-Y78 HydrophobicContact CB-CE1 4.12Å; L70-Y78 HydrophobicContact CD1-CD1 4.32Å; L70-Y78 HydrophobicContact CD1-CD2 4.45Å; L70-Y78 HydrophobicContact CD1-CE1 3.91Å; L70-Y78 HydrophobicContact CD1-CE2 4.06Å |
| 71 | V | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 127 | 177 | -178 | 0 | 0 | 0 | 0 | 109.9 | F60 F64 T69 G73 F74 L77 A79 | F60-V71 HydrophobicContact CB-CG1 4.28Å; F60-V71 HydrophobicContact CD1-CG1 3.42Å; F60-V71 VanDerWaalsContact CD1-CG1 3.42Å; F60-V71 HydrophobicContact CD2-CG1 4.27Å; F60-V71 HydrophobicContact CE1-CG1 3.71Å; F60-V71 HydrophobicContact CE2-CG1 4.49Å; F60-V71 HydrophobicContact CG-CG1 3.74Å; F60-V71 HydrophobicContact CZ-CG1 4.24Å; F64-V71 HydrophobicContact CE1-CG2 4.03Å; F64-V71 HydrophobicContact CZ-CB 4.48Å; F64-V71 HydrophobicContact CZ-CG1 4.38Å; F64-V71 HydrophobicContact CZ-CG2 3.82Å; T69-V71 PolarHBondContact O-N 2.88Å; V71-G73 PolarHBondContact O-N 3.38Å; V71-F74 HydrophobicContact CB-CD2 4.15Å; V71-F74 HydrophobicContact CG1-CD2 3.84Å; V71-F74 HydrophobicContact CG1-CE2 4.25Å; V71-F74 PolarHBondContact O-N 2.91Å; V71-F74 VanDerWaalsContact O-N 3.15Å; V71-L77 HydrophobicContact CB-CB 4.29Å; V71-L77 HydrophobicContact CB-CD2 4.19Å; V71-L77 HydrophobicContact CB-CG 4.12Å; V71-L77 HydrophobicContact CG1-CD2 4.37Å; V71-L77 HydrophobicContact CG2-CB 4.38Å; V71-L77 HydrophobicContact CG2-CD2 4.1Å; V71-L77 HydrophobicContact CG2-CG 3.79Å; V71-L77 PolarHBondContact N-O 2.98Å; V71-A79 HydrophobicContact CG2-CB 3.74Å |
| 72 | E | 96.4 | Very high | 92.8 | Very high | 139 Ų | 139 | 51.1 Ų | 51.1 | 65% | 0.65 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 128.8 | 178.5 | -71.1 | -175.9 | -170.8 | 0 | 0 | 111.1 | T326 | E72-T326 WeakPolarHBondContact O-CB 3.33Å; E72-T326 WeakPolarHBondContact O-CG2 3.45Å; E72-T326 PolarHBondContact O-OG1 3.23Å |
| 73 | G | 95.1 | Very high | 91.6 | Very high | 52 Ų | 52 | 51.8 Ų | 51.8 | 54% | 0.536 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | 3.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | V71 K330 | V71-G73 PolarHBondContact O-N 3.38Å; G73-K330 PolarHBondContact O-NZ 3.38Å |
| 74 | F | 97.1 | Very high | 90.1 | Very high | 26 Ų | 26 | 43.9 Ų | 43.9 | 11% | 0.114 | 25% | 0.25 | C | S | . | . | trans | -127.1 | 152.8 | 169.8 | -64.3 | -88.2 | 0 | 0 | 0 | 111 | A36 T39 F60 V71 L77 T326 K330 | A36-F74 HydrophobicContact CB-CE1 3.93Å; A36-F74 HydrophobicContact CB-CZ 3.66Å; T39-F74 HydrophobicContact CG2-CD1 3.88Å; T39-F74 HydrophobicContact CG2-CE1 4.3Å; F60-F74 HydrophobicContact CE1-CE2 4.02Å; V71-F74 HydrophobicContact CB-CD2 4.15Å; V71-F74 HydrophobicContact CG1-CD2 3.84Å; V71-F74 HydrophobicContact CG1-CE2 4.25Å; V71-F74 PolarHBondContact O-N 2.91Å; V71-F74 VanDerWaalsContact O-N 3.15Å; F74-L77 HydrophobicContact CB-CB 3.57Å; F74-L77 HydrophobicContact CD1-CB 4.24Å; F74-L77 HydrophobicContact CD1-CD2 4.31Å; F74-L77 HydrophobicContact CD2-CB 4.19Å; F74-L77 HydrophobicContact CD2-CD2 3.73Å; F74-L77 HydrophobicContact CE1-CD2 4.38Å; F74-L77 HydrophobicContact CE2-CD2 3.78Å; F74-L77 HydrophobicContact CG-CB 3.76Å; F74-L77 HydrophobicContact CG-CD2 3.99Å; F74-L77 HydrophobicContact CZ-CD2 4.13Å; F74-T326 HydrophobicContact CD2-CG2 3.91Å; F74-T326 HydrophobicContact CE2-CG2 3.37Å; F74-T326 HydrophobicContact CZ-CG2 4.04Å; F74-K330 HydrophobicContact CE1-CG 4.26Å; F74-K330 HydrophobicContact CZ-CD 4.31Å; F74-K330 HydrophobicContact CZ-CG 3.8Å | ||
| 75 | S | 96.2 | Very high | 88.4 | Confident | 104 Ų | 104 | 48.6 Ų | 48.6 | 73% | 0.727 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -97 | -16.6 | 176.8 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 76 | N | 96.5 | Very high | 86.7 | Confident | 25 Ų | 25 | 50.1 Ų | 50.1 | 13% | 0.134 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -142.6 | 12.1 | -170 | 61.7 | -24.8 | 0 | 0 | 0 | 113.8 | T39 R42 E43 V45 | T39-N76 WeakPolarHBondContact CB-OD1 3.47Å; T39-N76 PolarHBondContact O-ND2 3.25Å; R42-N76 PolarHBondContact O-ND2 3.36Å; E43-N76 WeakPolarHBondContact O-CB 3.28Å; E43-N76 PolarHBondContact O-ND2 3.17Å; V45-N76 PolarHBondContact N-O 2.84Å |
| 77 | L | 97.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125.1 | 172.9 | -176.1 | 56.5 | 0 | 0 | 0 | 109.8 | A35 T39 V45 F60 L70 V71 F74 | A35-L77 HydrophobicContact CB-CD1 3.7Å; A35-L77 HydrophobicContact CB-CD2 4.4Å; T39-L77 HydrophobicContact CG2-CB 3.65Å; T39-L77 HydrophobicContact CG2-CD1 4.24Å; T39-L77 HydrophobicContact CG2-CD2 4.39Å; T39-L77 HydrophobicContact CG2-CG 4.29Å; V45-L77 HydrophobicContact CB-CD1 3.91Å; V45-L77 HydrophobicContact CG1-CD1 3.66Å; V45-L77 WeakPolarHBondContact O-CA 3.36Å; F60-L77 HydrophobicContact CE1-CD2 4.2Å; F60-L77 HydrophobicContact CZ-CD2 3.86Å; L70-L77 WeakPolarHBondContact CD1-O 3.39Å; V71-L77 HydrophobicContact CB-CB 4.29Å; V71-L77 HydrophobicContact CB-CD2 4.19Å; V71-L77 HydrophobicContact CB-CG 4.12Å; V71-L77 HydrophobicContact CG1-CD2 4.37Å; V71-L77 HydrophobicContact CG2-CB 4.38Å; V71-L77 HydrophobicContact CG2-CD2 4.1Å; V71-L77 HydrophobicContact CG2-CG 3.79Å; V71-L77 PolarHBondContact N-O 2.98Å; F74-L77 HydrophobicContact CB-CB 3.57Å; F74-L77 HydrophobicContact CD1-CB 4.24Å; F74-L77 HydrophobicContact CD1-CD2 4.31Å; F74-L77 HydrophobicContact CD2-CB 4.19Å; F74-L77 HydrophobicContact CD2-CD2 3.73Å; F74-L77 HydrophobicContact CE1-CD2 4.38Å; F74-L77 HydrophobicContact CE2-CD2 3.78Å; F74-L77 HydrophobicContact CG-CB 3.76Å; F74-L77 HydrophobicContact CG-CD2 3.99Å; F74-L77 HydrophobicContact CZ-CD2 4.13Å |
| 78 | Y | 96.1 | Very high | 83.3 | Confident | 73 Ų | 73 | 42.9 Ų | 42.9 | 29% | 0.286 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 145.5 | 176.9 | -61.4 | -100.8 | 0 | 0 | 0 | 109 | V45 L46 I47 T69 L70 F156 | V45-Y78 PolarHBondContact O-N 3.15Å; L46-Y78 CarbonylContact C-O 3.54Å; L46-Y78 WeakPolarHBondContact CA-O 2.87Å; I47-Y78 PolarHBondContact N-O 3.28Å; T69-Y78 CarbonylContact O-C 3.54Å; T69-Y78 VanDerWaalsContact O-CA 3.29Å; T69-Y78 WeakPolarHBondContact O-CA 3.26Å; L70-Y78 HydrophobicContact CB-CD1 4.28Å; L70-Y78 HydrophobicContact CB-CE1 4.12Å; L70-Y78 HydrophobicContact CD1-CD1 4.32Å; L70-Y78 HydrophobicContact CD1-CD2 4.45Å; L70-Y78 HydrophobicContact CD1-CE1 3.91Å; L70-Y78 HydrophobicContact CD1-CE2 4.06Å; Y78-F156 HydrophobicContact CD1-CZ 4.49Å; Y78-F156 HydrophobicContact CD2-CD1 4.4Å; Y78-F156 AromaticContact CD2-CE1 3.45Å; Y78-F156 HydrophobicContact CD2-CE1 3.45Å; Y78-F156 VanDerWaalsContact CD2-CE1 3.45Å; Y78-F156 HydrophobicContact CD2-CZ 4.17Å; Y78-F156 AromaticContact CE2-CE1 3.99Å; Y78-F156 HydrophobicContact CE2-CE1 3.99Å; Y78-F156 AromaticContact CG-CE1 3.74Å; Y78-F156 HydrophobicContact CG-CE1 3.74Å; Y78-F156 AromaticContact CG-CZ 4Å; Y78-F156 HydrophobicContact CG-CZ 4Å |
| 79 | A | 95.1 | Very high | 81.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 145.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | I47 V56 F64 T69 V71 | I47-A79 HydrophobicContact CG2-CB 3.53Å; I47-A79 WeakPolarHBondContact O-CA 3.45Å; V56-A79 HydrophobicContact CG1-CB 4.13Å; F64-A79 HydrophobicContact CD1-CB 3.67Å; F64-A79 HydrophobicContact CD2-CB 3.86Å; F64-A79 HydrophobicContact CE1-CB 3.64Å; F64-A79 HydrophobicContact CE2-CB 3.83Å; F64-A79 HydrophobicContact CG-CB 3.78Å; F64-A79 HydrophobicContact CZ-CB 3.73Å; T69-A79 PolarHBondContact N-O 3Å; T69-A79 PolarHBondContact O-N 3.28Å; V71-A79 HydrophobicContact CG2-CB 3.74Å |
| 80 | M | 90.9 | Very high | 79.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 148 | 170.2 | 68.8 | -172.7 | -64.7 | 0 | 0 | 109.8 | L46 I47 V48 S49 T65 K66 P68 I82 V147 L150 | L46-M80 HydrophobicContact CD1-CG 4.16Å; L46-M80 HydrophobicContact CD1-SD 4.22Å; L46-M80 HydrophobicContact CD2-SD 3.91Å; L46-M80 HydrophobicContact CG-SD 4.47Å; I47-M80 PolarHBondContact O-N 3.17Å; V48-M80 WeakPolarHBondContact CA-O 3.4Å; V48-M80 HydrophobicContact CB-CG 4.14Å; V48-M80 HydrophobicContact CG1-CG 3.96Å; V48-M80 HydrophobicContact CG1-SD 4.33Å; V48-M80 HydrophobicContact CG2-CG 3.82Å; V48-M80 HydrophobicContact CG2-SD 3.81Å; S49-M80 PolarHBondContact N-O 3.17Å; T65-M80 WeakPolarHBondContact O-CA 3.23Å; K66-M80 WeakPolarHBondContact O-CE 3.48Å; P68-M80 HydrophobicContact CG-CB 4.32Å; P68-M80 HydrophobicContact CG-SD 3.91Å; M80-I82 HydrophobicContact CE-CD1 3.29Å; M80-I82 HydrophobicContact CE-CG1 3.91Å; M80-I82 HydrophobicContact CG-CD1 4.39Å; M80-I82 HydrophobicContact SD-CD1 4.23Å; M80-V147 HydrophobicContact CE-CG1 4.22Å; M80-V147 HydrophobicContact SD-CG1 4.21Å; M80-L150 HydrophobicContact CE-CD1 4.13Å |
| 81 | E | 87.7 | Confident | 76.7 | Confident | 9 Ų | 9 | 44 Ų | 44 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 131.5 | 176.8 | -67.5 | -172.2 | 151.6 | 0 | 0 | 109.4 | H54 V56 S57 F64 T65 K66 | H54-E81 WeakPolarHBondContact CA-OE1 3.26Å; H54-E81 WeakPolarHBondContact CB-OE2 3.19Å; H54-E81 IonicContact CE1-OE2 2.87Å; H54-E81 IonicContact CG-OE2 3.14Å; H54-E81 IonicContact ND1-OE2 2.91Å; H54-E81 PolarHBondContact ND1-OE2 2.82Å; V56-E81 HydrophobicContact CB-CG 4.38Å; V56-E81 WeakPolarHBondContact CB-OE1 3.27Å; V56-E81 PolarHBondContact N-OE1 3.18Å; S57-E81 PolarHBondContact N-OE1 3.49Å; S57-E81 PolarHBondContact OG-OE1 3.22Å; S57-E81 PolarHBondContact OG-OE2 3.32Å; F64-E81 HydrophobicContact CB-CG 4Å; T65-E81 CarbonylContact C-O 3.54Å; T65-E81 PolarHBondContact O-N 3.49Å; K66-E81 WeakPolarHBondContact CA-O 3.24Å; K66-E81 PolarHBondContact N-O 2.65Å |
| 82 | I | 79.2 | Confident | 74.3 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | trans | -124.8 | 125.5 | -173.2 | -68.9 | 159.7 | 0 | 0 | 0 | 108.4 | V48 S49 M80 P84 E87 V147 | V48-I82 HydrophobicContact CG1-CD1 3.73Å; S49-I82 PolarHBondContact O-N 2.96Å; M80-I82 HydrophobicContact CE-CD1 3.29Å; M80-I82 HydrophobicContact CE-CG1 3.91Å; M80-I82 HydrophobicContact CG-CD1 4.39Å; M80-I82 HydrophobicContact SD-CD1 4.23Å; I82-P84 WeakPolarHBondContact O-CD 3.11Å; I82-E87 WeakPolarHBondContact CG2-OE1 3.42Å; I82-E87 VanDerWaalsContact CG2-OE2 3.23Å; I82-E87 WeakPolarHBondContact CG2-OE2 3.08Å; I82-V147 HydrophobicContact CD1-CB 3.9Å; I82-V147 HydrophobicContact CD1-CG1 3.64Å; I82-V147 HydrophobicContact CD1-CG2 3.14Å; I82-V147 HydrophobicContact CG1-CG2 4.41Å; I82-V147 HydrophobicContact CG2-CG2 4.45Å | ||
| 83 | D | 70 | Confident | 72.2 | Confident | 39 Ų | 39 | 43.2 Ų | 43.2 | 21% | 0.209 | 25% | 0.254 | C | S | . | . | trans | -96 | 109.5 | 175 | -172.9 | -13.9 | 0 | 0 | 0 | 109 | V85 I86 | D83-V85 PolarHBondContact O-N 3.43Å; D83-V85 VanDerWaalsContact O-N 3.14Å; D83-V85 WeakPolarHBondContact OD1-CB 3.15Å; D83-V85 PolarHBondContact OD1-N 3.32Å; D83-I86 HydrophobicContact CB-CD1 4.1Å; D83-I86 HydrophobicContact CB-CG1 4.25Å; D83-I86 PolarHBondContact O-N 3.46Å; D83-I86 WeakPolarHBondContact OD2-CD1 3.44Å | ||
| 84 | P | 61.3 | Low | 70.1 | Confident | 17 Ų | 17 | 46.1 Ų | 46.1 | 11% | 0.11 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.1 | -21.3 | -178.4 | 24.5 | -32.5 | 0 | 0 | 0 | 113.3 | I82 | I82-P84 WeakPolarHBondContact O-CD 3.11Å |
| 85 | V | 58.2 | Low | 67.6 | Low | 105 Ų | 105 | 47 Ų | 47 | 64% | 0.636 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -78.5 | -31.9 | -176.5 | -176.7 | 0 | 0 | 0 | 0 | 111.9 | D83 T88 | D83-V85 PolarHBondContact O-N 3.43Å; D83-V85 VanDerWaalsContact O-N 3.14Å; D83-V85 WeakPolarHBondContact OD1-CB 3.15Å; D83-V85 PolarHBondContact OD1-N 3.32Å; V85-T88 PolarHBondContact O-OG1 3.04Å |
| 86 | I | 52.9 | Low | 65.2 | Low | 105 Ų | 105 | 42.9 Ų | 42.9 | 54% | 0.538 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -81.3 | -38.9 | -176.6 | -60 | 175.5 | 0 | 0 | 0 | 110.1 | D83 T88 S89 T90 | D83-I86 HydrophobicContact CB-CD1 4.1Å; D83-I86 HydrophobicContact CB-CG1 4.25Å; D83-I86 PolarHBondContact O-N 3.46Å; D83-I86 WeakPolarHBondContact OD2-CD1 3.44Å; I86-T88 VanDerWaalsContact C-N 3.33Å; I86-T88 PolarHBondContact O-N 3.47Å; I86-S89 PolarHBondContact O-N 3.22Å; I86-S89 PolarHBondContact O-OG 2.95Å; I86-T90 PolarHBondContact O-OG1 3.11Å |
| 87 | E | 51.3 | Low | 63 | Low | 12 Ų | 12 | 47.4 Ų | 47.4 | 6% | 0.056 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.9 | -32 | -172.9 | -71 | -177.2 | 172.1 | 0 | 0 | 113.2 | I82 S89 T90 W91 S143 | I82-E87 WeakPolarHBondContact CG2-OE1 3.42Å; I82-E87 VanDerWaalsContact CG2-OE2 3.23Å; I82-E87 WeakPolarHBondContact CG2-OE2 3.08Å; E87-S89 VanDerWaalsContact C-N 3.32Å; E87-S89 PolarHBondContact O-N 2.99Å; E87-T90 WeakPolarHBondContact CA-OG1 3.44Å; E87-T90 PolarHBondContact O-N 3.07Å; E87-T90 PolarHBondContact O-OG1 2.83Å; E87-W91 PolarHBondContact O-N 2.78Å; E87-S143 WeakPolarHBondContact OE2-CA 3.47Å; E87-S143 WeakPolarHBondContact OE2-CB 3.47Å |
| 88 | T | 48.9 | Very low | 60.8 | Low | 30 Ų | 30 | 50.4 Ų | 50.4 | 18% | 0.184 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.6 | -34.7 | 178.8 | 49 | 0 | 0 | 0 | 0 | 112.9 | V85 I86 S92 D139 | V85-T88 PolarHBondContact O-OG1 3.04Å; I86-T88 VanDerWaalsContact C-N 3.33Å; I86-T88 PolarHBondContact O-N 3.47Å; T88-S92 WeakPolarHBondContact O-CB 3.49Å; T88-S92 PolarHBondContact O-N 3.48Å; T88-S92 PolarHBondContact O-OG 3.34Å; T88-D139 VanDerWaalsContact CG2-CA 3.4Å; T88-D139 HydrophobicContact CG2-CB 3.58Å; T88-D139 WeakPolarHBondContact CG2-OD1 3.45Å |
| 89 | S | 48.4 | Very low | 58.6 | Low | 57 Ų | 57 | 51.2 Ų | 51.2 | 40% | 0.399 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 174.6 | 68.7 | 0 | 0 | 0 | 0 | 111.2 | I86 E87 S92 D93 | I86-S89 PolarHBondContact O-N 3.22Å; I86-S89 PolarHBondContact O-OG 2.95Å; E87-S89 VanDerWaalsContact C-N 3.32Å; E87-S89 PolarHBondContact O-N 2.99Å; S89-S92 PolarHBondContact O-N 2.75Å; S89-S92 PolarHBondContact O-OG 3.05Å; S89-D93 PolarHBondContact O-N 3.13Å |
| 90 | T | 49.1 | Very low | 56.7 | Low | 70 Ų | 70 | 51.6 Ų | 51.6 | 43% | 0.429 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 177.7 | 27.9 | 0 | 0 | 0 | 0 | 113.5 | I86 E87 D93 D94 | I86-T90 PolarHBondContact O-OG1 3.11Å; E87-T90 WeakPolarHBondContact CA-OG1 3.44Å; E87-T90 PolarHBondContact O-N 3.07Å; E87-T90 PolarHBondContact O-OG1 2.83Å; T90-D93 PolarHBondContact O-N 3.43Å; T90-D94 PolarHBondContact O-N 3.47Å |
| 91 | W | 46 | Very low | 54.7 | Low | 58 Ų | 58 | 54.5 Ų | 54.5 | 22% | 0.22 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.2 | -35.6 | 175.6 | -86.6 | 80.1 | 0 | 0 | 0 | 112.5 | E87 D93 D94 C95 M142 E146 | E87-W91 PolarHBondContact O-N 2.78Å; W91-D93 VanDerWaalsContact C-N 3.32Å; W91-D94 PolarHBondContact O-N 2.55Å; W91-C95 VanDerWaalsContact O-CB 3.23Å; W91-C95 WeakPolarHBondContact O-CB 3.36Å; W91-C95 PolarHBondContact O-N 3.43Å; W91-C95 PolarHBondContact O-SG 2.94Å; W91-M142 HydrophobicContact CB-CE 4.1Å; W91-M142 HydrophobicContact CD2-CE 3.42Å; W91-M142 VanDerWaalsContact CD2-CE 3.42Å; W91-M142 HydrophobicContact CE3-CE 3.04Å; W91-M142 HydrophobicContact CG-CE 3.92Å; W91-M142 HydrophobicContact CH2-CE 4.21Å; W91-M142 HydrophobicContact CZ3-CE 3.48Å; W91-M142 VanDerWaalsContact CZ3-CE 3.48Å; W91-E146 HydrophobicContact CZ2-CB 4.13Å; W91-E146 PolarHBondContact NE1-OE2 3.07Å |
| 92 | S | 47.1 | Very low | 53 | Low | 28 Ų | 28 | 55 Ų | 55 | 20% | 0.196 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 174.9 | 71.3 | 0 | 0 | 0 | 0 | 109.8 | T88 S89 C95 L96 | T88-S92 WeakPolarHBondContact O-CB 3.49Å; T88-S92 PolarHBondContact O-N 3.48Å; T88-S92 PolarHBondContact O-OG 3.34Å; S89-S92 PolarHBondContact O-N 2.75Å; S89-S92 PolarHBondContact O-OG 3.05Å; S92-C95 PolarHBondContact O-N 3.13Å; S92-L96 WeakPolarHBondContact O-CB 3.49Å; S92-L96 WeakPolarHBondContact O-CD1 3.46Å; S92-L96 WeakPolarHBondContact O-CG 3.34Å; S92-L96 PolarHBondContact O-N 3.45Å |
| 93 | D | 50.7 | Low | 51.7 | Low | 94 Ų | 94 | 56.9 Ų | 56.9 | 50% | 0.503 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 175.3 | -73.5 | -22.3 | 0 | 0 | 0 | 111.5 | S89 T90 W91 C95 L96 D97 | S89-D93 PolarHBondContact O-N 3.13Å; T90-D93 PolarHBondContact O-N 3.43Å; W91-D93 VanDerWaalsContact C-N 3.32Å; D93-C95 PolarHBondContact O-N 3.42Å; D93-L96 PolarHBondContact O-N 2.96Å; D93-D97 VanDerWaalsContact O-CB 3.32Å; D93-D97 WeakPolarHBondContact O-CB 3.16Å; D93-D97 PolarHBondContact O-N 3.06Å |
| 94 | D | 51.7 | Low | 51 | Low | 112 Ų | 112 | 57.2 Ų | 57.2 | 60% | 0.599 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.6 | -37.3 | 177.9 | -76.6 | -14.5 | 0 | 0 | 0 | 113 | T90 W91 | T90-D94 PolarHBondContact O-N 3.47Å; W91-D94 PolarHBondContact O-N 2.55Å |
| 95 | C | 44.5 | Very low | 50.5 | Low | 44 Ų | 44 | 57.6 Ų | 57.6 | 30% | 0.297 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -76.5 | -30.8 | 176.5 | -67.1 | 0 | 0 | 0 | 0 | 112.6 | W91 S92 D93 | W91-C95 VanDerWaalsContact O-CB 3.23Å; W91-C95 WeakPolarHBondContact O-CB 3.36Å; W91-C95 PolarHBondContact O-N 3.43Å; W91-C95 PolarHBondContact O-SG 2.94Å; S92-C95 PolarHBondContact O-N 3.13Å; D93-C95 PolarHBondContact O-N 3.42Å |
| 96 | L | 46 | Very low | 50.3 | Low | 18 Ų | 18 | 54.2 Ų | 54.2 | 9% | 0.094 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -80.7 | -24.1 | 177.5 | -69 | 170.7 | 0 | 0 | 0 | 111.6 | S92 D93 E98 L102 K125 I128 | S92-L96 WeakPolarHBondContact O-CB 3.49Å; S92-L96 WeakPolarHBondContact O-CD1 3.46Å; S92-L96 WeakPolarHBondContact O-CG 3.34Å; S92-L96 PolarHBondContact O-N 3.45Å; D93-L96 PolarHBondContact O-N 2.96Å; L96-E98 PolarHBondContact O-N 3.24Å; L96-L102 HydrophobicContact CD2-CD2 4.32Å; L96-L102 WeakPolarHBondContact O-CD1 3.4Å; L96-K125 HydrophobicContact CD2-CG 4.3Å; L96-I128 HydrophobicContact CD2-CB 3.93Å; L96-I128 HydrophobicContact CD2-CD1 3.69Å; L96-I128 HydrophobicContact CD2-CG1 4.37Å; L96-I128 HydrophobicContact CD2-CG2 3.91Å |
| 97 | D | 50.8 | Low | 50.4 | Low | 121 Ų | 121 | 50 Ų | 50 | 65% | 0.647 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -77.9 | -4.6 | 172.1 | -82 | -14.6 | 0 | 0 | 0 | 112.9 | D93 P99 | D93-D97 VanDerWaalsContact O-CB 3.32Å; D93-D97 WeakPolarHBondContact O-CB 3.16Å; D93-D97 PolarHBondContact O-N 3.06Å; D97-P99 WeakPolarHBondContact O-CD 3.49Å |
| 98 | E | 51.5 | Low | 50.4 | Low | 62 Ų | 62 | 55.1 Ų | 55.1 | 29% | 0.29 | 31% | 0.306 | S | S | . | . | trans | -75.6 | 108.5 | 167.9 | -81.9 | -69.4 | 145.7 | 0 | 0 | 110.9 | L96 S100 M101 K217 | L96-E98 PolarHBondContact O-N 3.24Å; E98-S100 PolarHBondContact O-N 3.36Å; E98-M101 PolarHBondContact O-N 3.21Å; E98-K217 IonicContact OE1-NZ 2.74Å; E98-K217 PolarHBondContact OE1-NZ 2.86Å; E98-K217 IonicContact OE2-NZ 3.44Å; E98-K217 PolarHBondContact OE2-NZ 2.84Å | ||
| 99 | P | 49.8 | Very low | 50.6 | Low | 90 Ų | 90 | 55.8 Ų | 55.8 | 58% | 0.584 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -58.4 | -28.9 | -174.7 | -21.9 | 33.7 | 0 | 0 | 0 | 112.5 | D97 L103 | D97-P99 WeakPolarHBondContact O-CD 3.49Å; P99-L103 VanDerWaalsContact O-CB 3.26Å; P99-L103 WeakPolarHBondContact O-CB 3.5Å; P99-L103 PolarHBondContact O-N 2.91Å |
| 100 | S | 54 | Low | 50.9 | Low | 9 Ų | 9 | 54.4 Ų | 54.4 | 6% | 0.063 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.7 | -32.3 | -174 | 65 | 0 | 0 | 0 | 0 | 114.1 | E98 N104 T214 | E98-S100 PolarHBondContact O-N 3.36Å; S100-N104 PolarHBondContact O-N 3.35Å; S100-N104 PolarHBondContact O-ND2 3.18Å; S100-N104 VanDerWaalsContact O-ND2 3.17Å; S100-T214 WeakPolarHBondContact CB-OG1 3.25Å; S100-T214 PolarHBondContact OG-OG1 2.89Å |
| 101 | M | 48.9 | Very low | 51 | Low | 61 Ų | 61 | 54.2 Ų | 54.2 | 30% | 0.3 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -78 | -41.9 | 178.7 | -162.6 | -175.6 | -66.3 | 0 | 0 | 111.2 | E98 L103 N104 I105 I128 | E98-M101 PolarHBondContact O-N 3.21Å; M101-L103 VanDerWaalsContact C-N 3.33Å; M101-L103 PolarHBondContact O-N 3.48Å; M101-N104 PolarHBondContact O-N 3.26Å; M101-I105 PolarHBondContact O-N 2.93Å; M101-I128 HydrophobicContact CB-CD1 4.49Å; M101-I128 HydrophobicContact CG-CD1 3.91Å; M101-I128 HydrophobicContact SD-CD1 3.81Å; M101-I128 HydrophobicContact SD-CG1 4.4Å; M101-I128 HydrophobicContact SD-CG2 4.33Å |
| 102 | L | 51.8 | Low | 51.3 | Low | 19 Ų | 19 | 55.6 Ų | 55.6 | 10% | 0.099 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 175 | -72.5 | 176.3 | 0 | 0 | 0 | 112.2 | L96 N104 I105 L106 M121 K125 I128 | L96-L102 HydrophobicContact CD2-CD2 4.32Å; L96-L102 WeakPolarHBondContact O-CD1 3.4Å; L102-N104 VanDerWaalsContact C-N 3.34Å; L102-N104 PolarHBondContact O-N 3.11Å; L102-I105 PolarHBondContact O-N 3.34Å; L102-L106 WeakPolarHBondContact O-CB 3.35Å; L102-L106 PolarHBondContact O-N 3.4Å; L102-M121 HydrophobicContact CD1-CE 3.82Å; L102-K125 HydrophobicContact CD1-CG 4.44Å; L102-K125 HydrophobicContact CD2-CB 4.49Å; L102-K125 HydrophobicContact CD2-CG 3.54Å; L102-I128 HydrophobicContact CD2-CD1 3.97Å |
| 103 | L | 53.4 | Low | 51.8 | Low | 44 Ų | 44 | 56.5 Ų | 56.5 | 23% | 0.23 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 177 | -170.5 | 67.3 | 0 | 0 | 0 | 112.3 | P99 M101 I105 L106 C107 I206 E210 | P99-L103 VanDerWaalsContact O-CB 3.26Å; P99-L103 WeakPolarHBondContact O-CB 3.5Å; P99-L103 PolarHBondContact O-N 2.91Å; M101-L103 VanDerWaalsContact C-N 3.33Å; M101-L103 PolarHBondContact O-N 3.48Å; L103-I105 VanDerWaalsContact C-N 3.29Å; L103-I105 PolarHBondContact O-N 3.1Å; L103-L106 HydrophobicContact CD1-CD2 4.29Å; L103-L106 PolarHBondContact O-N 2.94Å; L103-C107 WeakPolarHBondContact O-CB 3.36Å; L103-C107 PolarHBondContact O-N 3.26Å; L103-I206 HydrophobicContact CD2-CG1 3.89Å; L103-I206 HydrophobicContact CG-CD1 4.38Å; L103-I206 HydrophobicContact CG-CG1 4.02Å; L103-E210 WeakPolarHBondContact CD2-OE2 3.44Å |
| 104 | N | 53.8 | Low | 52.3 | Low | 46 Ų | 46 | 62.6 Ų | 62.6 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.6 | -35.2 | 176.9 | -75.4 | -28.1 | 0 | 0 | 0 | 112.5 | S100 M101 L102 L108 M197 | S100-N104 PolarHBondContact O-N 3.35Å; S100-N104 PolarHBondContact O-ND2 3.18Å; S100-N104 VanDerWaalsContact O-ND2 3.17Å; M101-N104 PolarHBondContact O-N 3.26Å; L102-N104 VanDerWaalsContact C-N 3.34Å; L102-N104 PolarHBondContact O-N 3.11Å; N104-L108 PolarHBondContact O-N 2.94Å; N104-M197 VanDerWaalsContact OD1-CE 3.27Å; N104-M197 WeakPolarHBondContact OD1-CE 3.02Å |
| 105 | I | 52 | Low | 52.8 | Low | 25 Ų | 25 | 60.1 Ų | 60.1 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -80.5 | -37.4 | 178.5 | -63.2 | 173.8 | 0 | 0 | 0 | 111.3 | M101 L102 L103 C107 L108 L109 F127 I128 | M101-I105 PolarHBondContact O-N 2.93Å; L102-I105 PolarHBondContact O-N 3.34Å; L103-I105 VanDerWaalsContact C-N 3.29Å; L103-I105 PolarHBondContact O-N 3.1Å; I105-C107 PolarHBondContact O-N 3.49Å; I105-L108 WeakPolarHBondContact O-CB 3.35Å; I105-L108 PolarHBondContact O-N 3.43Å; I105-L109 HydrophobicContact CG2-CD1 3.57Å; I105-L109 HydrophobicContact CG2-CG 4.1Å; I105-L109 WeakPolarHBondContact O-CG 3.36Å; I105-L109 PolarHBondContact O-N 2.96Å; I105-F127 HydrophobicContact CD1-CD1 4.3Å; I105-F127 HydrophobicContact CG2-CD1 4.47Å; I105-I128 HydrophobicContact CD1-CB 4.39Å; I105-I128 HydrophobicContact CD1-CD1 3.38Å; I105-I128 HydrophobicContact CD1-CG1 2.99Å; I105-I128 HydrophobicContact CG1-CG1 4.47Å |
| 106 | L | 53.6 | Low | 53.8 | Low | 34 Ų | 34 | 61.4 Ų | 61.4 | 18% | 0.178 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -55.4 | -42.3 | 170 | -174.5 | 66.6 | 0 | 0 | 0 | 110.7 | L102 L103 L108 L109 A110 I117 A120 | L102-L106 WeakPolarHBondContact O-CB 3.35Å; L102-L106 PolarHBondContact O-N 3.4Å; L103-L106 HydrophobicContact CD1-CD2 4.29Å; L103-L106 PolarHBondContact O-N 2.94Å; L106-L108 VanDerWaalsContact C-N 3.29Å; L106-L108 PolarHBondContact O-N 2.97Å; L106-L109 PolarHBondContact O-N 2.93Å; L106-A110 HydrophobicContact CD1-CB 4.16Å; L106-A110 HydrophobicContact CG-CB 4.4Å; L106-A110 WeakPolarHBondContact O-CB 3.4Å; L106-A110 PolarHBondContact O-N 3.43Å; L106-I117 HydrophobicContact CD1-CG2 4.49Å; L106-I117 HydrophobicContact CD2-CG2 4.12Å; L106-A120 HydrophobicContact CD1-CB 3.3Å |
| 107 | C | 54.9 | Low | 54.7 | Low | 16 Ų | 16 | 66.5 Ų | 66.5 | 11% | 0.108 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.6 | -31.6 | 176.3 | -158.3 | 0 | 0 | 0 | 0 | 113.4 | L103 I105 P111 F204 I206 | L103-C107 WeakPolarHBondContact O-CB 3.36Å; L103-C107 PolarHBondContact O-N 3.26Å; I105-C107 PolarHBondContact O-N 3.49Å; C107-P111 WeakPolarHBondContact O-CD 3.25Å; C107-P111 WeakPolarHBondContact O-CG 3.23Å; C107-F204 VanDerWaalsContact SG-CD2 3.55Å; C107-I206 HydrophobicContact CB-CD1 3.65Å; C107-I206 WeakPolarHBondContact SG-CD1 3.48Å |
| 108 | L | 52.1 | Low | 55.4 | Low | 119 Ų | 119 | 64.1 Ų | 64.1 | 62% | 0.623 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -79.1 | -36.1 | 178.9 | -130.1 | 117.9 | 0 | 0 | 0 | 112.4 | N104 I105 L106 | N104-L108 PolarHBondContact O-N 2.94Å; I105-L108 WeakPolarHBondContact O-CB 3.35Å; I105-L108 PolarHBondContact O-N 3.43Å; L106-L108 VanDerWaalsContact C-N 3.29Å; L106-L108 PolarHBondContact O-N 2.97Å |
| 109 | L | 52.9 | Low | 56.2 | Low | 45 Ų | 45 | 64.1 Ų | 64.1 | 24% | 0.236 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -99.1 | -37.9 | -170.7 | -62.9 | 178.4 | 0 | 0 | 0 | 113.9 | I105 L106 P111 A112 A113 I123 | I105-L109 HydrophobicContact CG2-CD1 3.57Å; I105-L109 HydrophobicContact CG2-CG 4.1Å; I105-L109 WeakPolarHBondContact O-CG 3.36Å; I105-L109 PolarHBondContact O-N 2.96Å; L106-L109 PolarHBondContact O-N 2.93Å; L109-P111 VanDerWaalsContact C-CD 3.42Å; L109-A112 PolarHBondContact O-N 2.95Å; L109-A113 WeakPolarHBondContact O-CB 3.41Å; L109-A113 PolarHBondContact O-N 3.3Å; L109-I123 HydrophobicContact CD1-CB 4.29Å; L109-I123 HydrophobicContact CD1-CG2 3.65Å |
| 110 | A | 54.4 | Low | 56.9 | Low | 27 Ų | 27 | 59.9 Ų | 59.9 | 22% | 0.223 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.4 | -39.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L106 A112 Y114 | L106-A110 HydrophobicContact CD1-CB 4.16Å; L106-A110 HydrophobicContact CG-CB 4.4Å; L106-A110 WeakPolarHBondContact O-CB 3.4Å; L106-A110 PolarHBondContact O-N 3.43Å; A110-A112 VanDerWaalsContact C-N 3.31Å; A110-A112 PolarHBondContact O-N 3.15Å; A110-Y114 PolarHBondContact O-N 2.74Å |
| 111 | P | 51.6 | Low | 57.2 | Low | 66 Ų | 66 | 63.5 Ų | 63.5 | 43% | 0.429 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.1 | -30.1 | 179.4 | -14.1 | 27.6 | 0 | 0 | 0 | 112.8 | C107 L109 F204 | C107-P111 WeakPolarHBondContact O-CD 3.25Å; C107-P111 WeakPolarHBondContact O-CG 3.23Å; L109-P111 VanDerWaalsContact C-CD 3.42Å; P111-F204 HydrophobicContact CB-CZ 4.2Å; P111-F204 HydrophobicContact CG-CE1 3.91Å; P111-F204 HydrophobicContact CG-CE2 4.27Å; P111-F204 HydrophobicContact CG-CZ 3.54Å |
| 112 | A | 51.5 | Low | 57.9 | Low | 88 Ų | 88 | 67.3 Ų | 67.3 | 73% | 0.727 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -84 | -26.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L109 A110 | L109-A112 PolarHBondContact O-N 2.95Å; A110-A112 VanDerWaalsContact C-N 3.31Å; A110-A112 PolarHBondContact O-N 3.15Å |
| 113 | A | 57.9 | Low | 58.5 | Low | 46 Ų | 46 | 69.9 Ų | 69.9 | 38% | 0.38 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -111.8 | -9.2 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L109 L115 | L109-A113 WeakPolarHBondContact O-CB 3.41Å; L109-A113 PolarHBondContact O-N 3.3Å; A113-L115 HydrophobicContact CB-CB 4.25Å; A113-L115 HydrophobicContact CB-CD1 3.42Å; A113-L115 VanDerWaalsContact CB-CD1 3.42Å; A113-L115 HydrophobicContact CB-CG 3.61Å; A113-L115 PolarHBondContact O-N 3.45Å |
| 114 | Y | 60.9 | Low | 58.9 | Low | 222 Ų | 222 | 67.8 Ų | 67.8 | 87% | 0.871 | 37% | 0.374 | S | S | * | . | trans | 48.3 | 33.1 | -174 | -78.4 | -88.4 | 0 | 0 | 0 | 112.8 | A110 | A110-Y114 PolarHBondContact O-N 2.74Š| ||
| 115 | L | 62 | Low | 59.3 | Low | 60 Ų | 60 | 69.4 Ų | 69.4 | 31% | 0.314 | 38% | 0.379 | S | S | . | . | trans | -85.5 | 148.1 | -174.6 | -79.1 | 168.7 | 0 | 0 | 0 | 111.2 | A113 D119 A120 I123 | A113-L115 HydrophobicContact CB-CB 4.25Å; A113-L115 HydrophobicContact CB-CD1 3.42Å; A113-L115 VanDerWaalsContact CB-CD1 3.42Å; A113-L115 HydrophobicContact CB-CG 3.61Å; A113-L115 PolarHBondContact O-N 3.45Å; L115-D119 HydrophobicContact CB-CB 4.29Å; L115-D119 HydrophobicContact CD2-CB 4.04Å; L115-A120 HydrophobicContact CB-CB 4.24Å; L115-I123 HydrophobicContact CD1-CD1 3.31Å | ||
| 116 | P | 66.2 | Low | 59.8 | Low | 71 Ų | 71 | 70.7 Ų | 70.7 | 46% | 0.461 | 39% | 0.39 | S | S | . | . | trans | -50.4 | 145.9 | 162.1 | -22.7 | 32.9 | 0 | 0 | 0 | 110.7 | S118 D119 A120 | P116-S118 PolarHBondContact O-N 3.49Å; P116-D119 WeakPolarHBondContact CD-OD2 3.31Å; P116-D119 WeakPolarHBondContact CG-OD2 3.21Å; P116-D119 PolarHBondContact O-N 2.75Å; P116-A120 PolarHBondContact O-N 2.86Å | ||
| 117 | I | 64 | Low | 60.1 | Low | 126 Ų | 126 | 74.1 Ų | 74.1 | 65% | 0.646 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -56.8 | -34.5 | 179.5 | -65.3 | 169.9 | 0 | 0 | 0 | 111.1 | L106 M121 | L106-I117 HydrophobicContact CD1-CG2 4.49Å; L106-I117 HydrophobicContact CD2-CG2 4.12Å; I117-M121 WeakPolarHBondContact O-CB 3.43Å; I117-M121 PolarHBondContact O-N 3.44Å |
| 118 | S | 66.7 | Low | 60.4 | Low | 71 Ų | 71 | 74.2 Ų | 74.2 | 50% | 0.497 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57.4 | -48.3 | 174 | 50.6 | 0 | 0 | 0 | 0 | 112.2 | P116 M121 E122 | P116-S118 PolarHBondContact O-N 3.49Å; S118-M121 WeakPolarHBondContact O-CB 3.23Å; S118-M121 PolarHBondContact O-N 3.32Å; S118-E122 PolarHBondContact O-N 2.86Å |
| 119 | D | 68.3 | Low | 60.9 | Low | 62 Ų | 62 | 74.4 Ų | 74.4 | 33% | 0.332 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -74.5 | -39.9 | -173.5 | -57.1 | 6.4 | 0 | 0 | 0 | 109.6 | L115 P116 M121 E122 I123 | L115-D119 HydrophobicContact CB-CB 4.29Å; L115-D119 HydrophobicContact CD2-CB 4.04Å; P116-D119 WeakPolarHBondContact CD-OD2 3.31Å; P116-D119 WeakPolarHBondContact CG-OD2 3.21Å; P116-D119 PolarHBondContact O-N 2.75Å; D119-M121 PolarHBondContact O-N 2.92Å; D119-E122 PolarHBondContact O-N 3.1Å; D119-I123 VanDerWaalsContact O-CG1 3.23Å; D119-I123 WeakPolarHBondContact O-CG1 3.19Å; D119-I123 PolarHBondContact O-N 2.96Å |
| 120 | A | 63.5 | Low | 61.3 | Low | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67 | -27.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L106 L115 P116 G124 | L106-A120 HydrophobicContact CD1-CB 3.3Å; L115-A120 HydrophobicContact CB-CB 4.24Å; P116-A120 PolarHBondContact O-N 2.86Å; A120-G124 PolarHBondContact O-N 2.8Å |
| 121 | M | 60.3 | Low | 61.6 | Low | 85 Ų | 85 | 80.7 Ų | 80.7 | 42% | 0.419 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -72.4 | -42.4 | 171.5 | -170.8 | 178.9 | -174.5 | 0 | 0 | 111.8 | L102 I117 S118 D119 G124 K125 | L102-M121 HydrophobicContact CD1-CE 3.82Å; I117-M121 WeakPolarHBondContact O-CB 3.43Å; I117-M121 PolarHBondContact O-N 3.44Å; S118-M121 WeakPolarHBondContact O-CB 3.23Å; S118-M121 PolarHBondContact O-N 3.32Å; D119-M121 PolarHBondContact O-N 2.92Å; M121-G124 PolarHBondContact O-N 3.43Å; M121-K125 WeakPolarHBondContact O-CB 3.29Å; M121-K125 WeakPolarHBondContact O-CG 3.33Å; M121-K125 PolarHBondContact O-N 3.09Å |
| 122 | E | 64.9 | Low | 61.9 | Low | 142 Ų | 142 | 79 Ų | 79 | 66% | 0.664 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.8 | -42.5 | 173.7 | -75.2 | -170.1 | 169.9 | 0 | 0 | 112.2 | S118 D119 G124 K125 S126 | S118-E122 PolarHBondContact O-N 2.86Å; D119-E122 PolarHBondContact O-N 3.1Å; E122-G124 VanDerWaalsContact C-N 3.32Å; E122-K125 PolarHBondContact O-N 3.2Å; E122-S126 PolarHBondContact O-N 3.13Å; E122-S126 PolarHBondContact O-OG 3.32Å |
| 123 | I | 64.2 | Low | 62.5 | Low | 72 Ų | 72 | 78.1 Ų | 78.1 | 37% | 0.369 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 174.3 | -61.6 | 170.5 | 0 | 0 | 0 | 110.2 | L109 L115 D119 S126 F127 | L109-I123 HydrophobicContact CD1-CB 4.29Å; L109-I123 HydrophobicContact CD1-CG2 3.65Å; L115-I123 HydrophobicContact CD1-CD1 3.31Å; D119-I123 VanDerWaalsContact O-CG1 3.23Å; D119-I123 WeakPolarHBondContact O-CG1 3.19Å; D119-I123 PolarHBondContact O-N 2.96Å; I123-S126 VanDerWaalsContact CA-OG 3.27Å; I123-S126 WeakPolarHBondContact CA-OG 3.37Å; I123-S126 PolarHBondContact O-N 2.76Å; I123-S126 PolarHBondContact O-OG 2.78Å; I123-F127 VanDerWaalsContact O-CB 3.24Å; I123-F127 WeakPolarHBondContact O-CB 3.49Å; I123-F127 PolarHBondContact O-N 3.24Å |
| 124 | G | 61.9 | Low | 62.7 | Low | 1 Ų | 1 | 79.7 Ų | 79.7 | 1% | 0.01 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.7 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A120 M121 E122 F127 I128 | A120-G124 PolarHBondContact O-N 2.8Å; M121-G124 PolarHBondContact O-N 3.43Å; E122-G124 VanDerWaalsContact C-N 3.32Å; G124-F127 PolarHBondContact O-N 3.01Å; G124-I128 WeakPolarHBondContact O-CG1 3.45Å; G124-I128 PolarHBondContact O-N 3.13Å |
| 125 | K | 61.8 | Low | 62.5 | Low | 80 Ų | 80 | 72.3 Ų | 72.3 | 35% | 0.348 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.1 | -50.2 | 173.4 | -76.5 | -174 | 174.5 | -162.1 | 0 | 111.4 | L96 L102 M121 E122 F127 I128 Y129 | L96-K125 HydrophobicContact CD2-CG 4.3Å; L102-K125 HydrophobicContact CD1-CG 4.44Å; L102-K125 HydrophobicContact CD2-CB 4.49Å; L102-K125 HydrophobicContact CD2-CG 3.54Å; M121-K125 WeakPolarHBondContact O-CB 3.29Å; M121-K125 WeakPolarHBondContact O-CG 3.33Å; M121-K125 PolarHBondContact O-N 3.09Å; E122-K125 PolarHBondContact O-N 3.2Å; K125-F127 VanDerWaalsContact C-N 3.31Å; K125-F127 PolarHBondContact O-N 3.46Å; K125-I128 PolarHBondContact O-N 3.4Å; K125-Y129 VanDerWaalsContact O-CB 3.31Å; K125-Y129 WeakPolarHBondContact O-CB 2.95Å; K125-Y129 PolarHBondContact O-N 2.83Å |
| 126 | S | 61.5 | Low | 62.1 | Low | 52 Ų | 52 | 74.5 Ų | 74.5 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.3 | -36.1 | 176.9 | 53.3 | 0 | 0 | 0 | 0 | 112.2 | E122 I123 Y129 D130 | E122-S126 PolarHBondContact O-N 3.13Å; E122-S126 PolarHBondContact O-OG 3.32Å; I123-S126 VanDerWaalsContact CA-OG 3.27Å; I123-S126 WeakPolarHBondContact CA-OG 3.37Å; I123-S126 PolarHBondContact O-N 2.76Å; I123-S126 PolarHBondContact O-OG 2.78Å; S126-Y129 PolarHBondContact O-N 3.21Å; S126-D130 WeakPolarHBondContact O-CB 3.07Å; S126-D130 PolarHBondContact O-N 3.18Å |
| 127 | F | 61.7 | Low | 61.8 | Low | 105 Ų | 105 | 71.5 Ų | 71.5 | 46% | 0.461 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 175.5 | -174.3 | -92.4 | 0 | 0 | 0 | 112.7 | I105 I123 G124 K125 Y129 M131 | I105-F127 HydrophobicContact CD1-CD1 4.3Å; I105-F127 HydrophobicContact CG2-CD1 4.47Å; I123-F127 VanDerWaalsContact O-CB 3.24Å; I123-F127 WeakPolarHBondContact O-CB 3.49Å; I123-F127 PolarHBondContact O-N 3.24Å; G124-F127 PolarHBondContact O-N 3.01Å; K125-F127 VanDerWaalsContact C-N 3.31Å; K125-F127 PolarHBondContact O-N 3.46Å; F127-Y129 VanDerWaalsContact C-N 3.34Å; F127-M131 HydrophobicContact CE1-SD 4.19Å; F127-M131 WeakPolarHBondContact O-CB 3.02Å; F127-M131 PolarHBondContact O-N 2.96Å |
| 128 | I | 60 | Low | 61.6 | Low | 19 Ų | 19 | 67.1 Ų | 67.1 | 10% | 0.097 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.5 | -48.3 | 172.3 | -66.3 | 172.5 | 0 | 0 | 0 | 109.6 | L96 M101 L102 I105 G124 K125 D130 M131 A132 | L96-I128 HydrophobicContact CD2-CB 3.93Å; L96-I128 HydrophobicContact CD2-CD1 3.69Å; L96-I128 HydrophobicContact CD2-CG1 4.37Å; L96-I128 HydrophobicContact CD2-CG2 3.91Å; M101-I128 HydrophobicContact CB-CD1 4.49Å; M101-I128 HydrophobicContact CG-CD1 3.91Å; M101-I128 HydrophobicContact SD-CD1 3.81Å; M101-I128 HydrophobicContact SD-CG1 4.4Å; M101-I128 HydrophobicContact SD-CG2 4.33Å; L102-I128 HydrophobicContact CD2-CD1 3.97Å; I105-I128 HydrophobicContact CD1-CB 4.39Å; I105-I128 HydrophobicContact CD1-CD1 3.38Å; I105-I128 HydrophobicContact CD1-CG1 2.99Å; I105-I128 HydrophobicContact CG1-CG1 4.47Å; G124-I128 WeakPolarHBondContact O-CG1 3.45Å; G124-I128 PolarHBondContact O-N 3.13Å; K125-I128 PolarHBondContact O-N 3.4Å; I128-D130 PolarHBondContact O-N 3.41Å; I128-M131 PolarHBondContact O-N 3.45Å; I128-A132 VanDerWaalsContact O-CB 3.29Å; I128-A132 WeakPolarHBondContact O-CB 3.45Å; I128-A132 PolarHBondContact O-N 3.38Å |
| 129 | Y | 62.8 | Low | 61.4 | Low | 123 Ų | 123 | 66.6 Ų | 66.6 | 48% | 0.482 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.1 | -48 | -177.6 | -168.4 | -102 | 0 | 0 | 0 | 110.8 | K125 S126 F127 M131 A132 N133 | K125-Y129 VanDerWaalsContact O-CB 3.31Å; K125-Y129 WeakPolarHBondContact O-CB 2.95Å; K125-Y129 PolarHBondContact O-N 2.83Å; S126-Y129 PolarHBondContact O-N 3.21Å; F127-Y129 VanDerWaalsContact C-N 3.34Å; Y129-M131 PolarHBondContact O-N 3.14Å; Y129-A132 PolarHBondContact O-N 2.97Å; Y129-N133 WeakPolarHBondContact CD1-ND2 3.16Å; Y129-N133 WeakPolarHBondContact CE1-ND2 3.4Å; Y129-N133 VanDerWaalsContact CZ-ND2 3.3Å; Y129-N133 VanDerWaalsContact O-CB 3.23Å; Y129-N133 WeakPolarHBondContact O-CB 3.4Å; Y129-N133 PolarHBondContact O-N 3.43Å; Y129-N133 PolarHBondContact O-ND2 3.19Å; Y129-N133 VanDerWaalsContact O-ND2 3.1Å |
| 130 | D | 62.1 | Low | 61.2 | Low | 100 Ų | 100 | 65.2 Ų | 65.2 | 54% | 0.535 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 176.1 | -72.3 | -13.9 | 0 | 0 | 0 | 111.5 | S126 I128 N133 S134 | S126-D130 WeakPolarHBondContact O-CB 3.07Å; S126-D130 PolarHBondContact O-N 3.18Å; I128-D130 PolarHBondContact O-N 3.41Å; D130-N133 CarbonylContact O-C 3.59Å; D130-S134 WeakPolarHBondContact O-CA 3.07Å; D130-S134 WeakPolarHBondContact O-CB 3.2Å; D130-S134 PolarHBondContact O-N 3.5Å; D130-S134 PolarHBondContact O-OG 3.06Å |
| 131 | M | 60 | Low | 61.1 | Low | 103 Ų | 103 | 65.3 Ų | 65.3 | 51% | 0.507 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.9 | -41.8 | 178.4 | -167.4 | -178.5 | 77.5 | 0 | 0 | 111.6 | F127 I128 Y129 S134 I135 | F127-M131 HydrophobicContact CE1-SD 4.19Å; F127-M131 WeakPolarHBondContact O-CB 3.02Å; F127-M131 PolarHBondContact O-N 2.96Å; I128-M131 PolarHBondContact O-N 3.45Å; Y129-M131 PolarHBondContact O-N 3.14Å; M131-S134 WeakPolarHBondContact CA-OG 3.33Å; M131-S134 PolarHBondContact O-N 3.49Å; M131-S134 PolarHBondContact O-OG 2.74Å; M131-I135 PolarHBondContact O-N 3.25Å |
| 132 | A | 58.6 | Low | 61.2 | Low | 31 Ų | 31 | 63.6 Ų | 63.6 | 26% | 0.256 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.6 | -55.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | I128 Y129 S134 I135 I138 | I128-A132 VanDerWaalsContact O-CB 3.29Å; I128-A132 WeakPolarHBondContact O-CB 3.45Å; I128-A132 PolarHBondContact O-N 3.38Å; Y129-A132 PolarHBondContact O-N 2.97Å; A132-S134 PolarHBondContact O-N 3.32Å; A132-S134 VanDerWaalsContact O-N 3.15Å; A132-I135 WeakPolarHBondContact O-CB 3.49Å; A132-I135 PolarHBondContact O-N 3.14Å; A132-I138 HydrophobicContact CB-CD1 4.21Å; A132-I138 WeakPolarHBondContact O-CG2 3.13Å |
| 133 | N | 63 | Low | 61.1 | Low | 70 Ų | 70 | 56.9 Ų | 56.9 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.2 | -21.9 | 178 | -67.2 | -25.3 | 0 | 0 | 0 | 113.6 | Y129 D130 I135 | Y129-N133 WeakPolarHBondContact CD1-ND2 3.16Å; Y129-N133 WeakPolarHBondContact CE1-ND2 3.4Å; Y129-N133 VanDerWaalsContact CZ-ND2 3.3Å; Y129-N133 VanDerWaalsContact O-CB 3.23Å; Y129-N133 WeakPolarHBondContact O-CB 3.4Å; Y129-N133 PolarHBondContact O-N 3.43Å; Y129-N133 PolarHBondContact O-ND2 3.19Å; Y129-N133 VanDerWaalsContact O-ND2 3.1Å; D130-N133 CarbonylContact O-C 3.59Å; N133-I135 PolarHBondContact O-N 2.9Å |
| 134 | S | 61.6 | Low | 61.3 | Low | 78 Ų | 78 | 53.8 Ų | 53.8 | 55% | 0.545 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -15 | 174.7 | 77.9 | 0 | 0 | 0 | 0 | 113.2 | D130 M131 A132 P136 | D130-S134 WeakPolarHBondContact O-CA 3.07Å; D130-S134 WeakPolarHBondContact O-CB 3.2Å; D130-S134 PolarHBondContact O-N 3.5Å; D130-S134 PolarHBondContact O-OG 3.06Å; M131-S134 WeakPolarHBondContact CA-OG 3.33Å; M131-S134 PolarHBondContact O-N 3.49Å; M131-S134 PolarHBondContact O-OG 2.74Å; A132-S134 PolarHBondContact O-N 3.32Å; A132-S134 VanDerWaalsContact O-N 3.15Å; S134-P136 WeakPolarHBondContact O-CD 3.23Å |
| 135 | I | 57.5 | Low | 61.5 | Low | 67 Ų | 67 | 55.5 Ų | 55.5 | 34% | 0.344 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -85.4 | 101.7 | 172.3 | -62.4 | 170.1 | 0 | 0 | 0 | 107.1 | M131 A132 N133 G137 I138 | M131-I135 PolarHBondContact O-N 3.25Å; A132-I135 WeakPolarHBondContact O-CB 3.49Å; A132-I135 PolarHBondContact O-N 3.14Å; N133-I135 PolarHBondContact O-N 2.9Å; I135-G137 PolarHBondContact O-N 3.05Å; I135-I138 HydrophobicContact CB-CB 4.12Å; I135-I138 HydrophobicContact CB-CD1 4.19Å; I135-I138 HydrophobicContact CD1-CD1 3.99Å; I135-I138 HydrophobicContact CG2-CB 4.17Å; I135-I138 WeakPolarHBondContact O-CB 3.39Å; I135-I138 PolarHBondContact O-N 3.43Å; I135-I138 VanDerWaalsContact O-N 3.13Å |
| 136 | P | 54.1 | Low | 61.7 | Low | 106 Ų | 106 | 53.4 Ų | 53.4 | 69% | 0.688 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 125.8 | -179.9 | 26.3 | -34.3 | 0 | 0 | 0 | 109.7 | S134 | S134-P136 WeakPolarHBondContact O-CD 3.23Š|
| 137 | G | 59.3 | Low | 62.2 | Low | 9 Ų | 9 | 50.9 Ų | 50.9 | 9% | 0.093 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | 3.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | I135 D139 E140 A141 | I135-G137 PolarHBondContact O-N 3.05Å; G137-D139 VanDerWaalsContact C-N 3.26Å; G137-D139 PolarHBondContact O-N 2.95Å; G137-E140 WeakPolarHBondContact CA-OE2 3.27Å; G137-A141 WeakPolarHBondContact O-CB 3.49Å; G137-A141 PolarHBondContact O-N 3.34Å |
| 138 | I | 60.8 | Low | 62.7 | Low | 33 Ų | 33 | 46.7 Ų | 46.7 | 17% | 0.169 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.5 | -29.6 | 179.3 | -160.6 | 160.5 | 0 | 0 | 0 | 112.3 | A132 I135 A141 M142 | A132-I138 HydrophobicContact CB-CD1 4.21Å; A132-I138 WeakPolarHBondContact O-CG2 3.13Å; I135-I138 HydrophobicContact CB-CB 4.12Å; I135-I138 HydrophobicContact CB-CD1 4.19Å; I135-I138 HydrophobicContact CD1-CD1 3.99Å; I135-I138 HydrophobicContact CG2-CB 4.17Å; I135-I138 WeakPolarHBondContact O-CB 3.39Å; I135-I138 PolarHBondContact O-N 3.43Å; I135-I138 VanDerWaalsContact O-N 3.13Å; I138-A141 HydrophobicContact CG1-CB 4.49Å; I138-A141 WeakPolarHBondContact O-CB 3.35Å; I138-A141 PolarHBondContact O-N 3.32Å; I138-M142 HydrophobicContact CG1-CG 4.04Å; I138-M142 WeakPolarHBondContact O-CB 3.33Å; I138-M142 WeakPolarHBondContact O-CG 3.49Å; I138-M142 PolarHBondContact O-N 3.07Å |
| 139 | D | 61.8 | Low | 63.2 | Low | 60 Ų | 60 | 52.6 Ų | 52.6 | 32% | 0.321 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.8 | -48.3 | -178.5 | -63.5 | -29.3 | 0 | 0 | 0 | 110.1 | T88 G137 A141 M142 S143 | T88-D139 VanDerWaalsContact CG2-CA 3.4Å; T88-D139 HydrophobicContact CG2-CB 3.58Å; T88-D139 WeakPolarHBondContact CG2-OD1 3.45Å; G137-D139 VanDerWaalsContact C-N 3.26Å; G137-D139 PolarHBondContact O-N 2.95Å; D139-A141 PolarHBondContact O-N 3.43Å; D139-M142 PolarHBondContact O-N 3.47Å; D139-S143 PolarHBondContact O-N 3.34Å; D139-S143 VanDerWaalsContact O-N 3.14Å; D139-S143 PolarHBondContact O-OG 3.07Å |
| 140 | E | 63.7 | Low | 63.5 | Low | 33 Ų | 33 | 49.8 Ų | 49.8 | 15% | 0.154 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.5 | -31.5 | 172.5 | -57.9 | 97.2 | 140.3 | 0 | 0 | 112 | G137 S143 F144 H168 L172 | G137-E140 WeakPolarHBondContact CA-OE2 3.27Å; E140-S143 PolarHBondContact O-OG 2.91Å; E140-F144 WeakPolarHBondContact O-CB 3.34Å; E140-F144 PolarHBondContact O-N 3.07Å; E140-F144 VanDerWaalsContact O-N 3.12Å; E140-H168 IonicContact OE1-CE1 2.75Å; E140-H168 IonicContact OE1-CG 2.79Å; E140-H168 IonicContact OE1-ND1 2.78Å; E140-H168 PolarHBondContact OE1-ND1 2.94Å; E140-L172 HydrophobicContact CB-CB 4.42Å; E140-L172 HydrophobicContact CB-CD1 4.26Å; E140-L172 WeakPolarHBondContact O-CD1 3.37Å |
| 141 | A | 61.9 | Low | 63.9 | Low | 2 Ų | 2 | 45.4 Ų | 45.4 | 2% | 0.017 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61 | -50.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G137 I138 D139 F144 A145 L175 | G137-A141 WeakPolarHBondContact O-CB 3.49Å; G137-A141 PolarHBondContact O-N 3.34Å; I138-A141 HydrophobicContact CG1-CB 4.49Å; I138-A141 WeakPolarHBondContact O-CB 3.35Å; I138-A141 PolarHBondContact O-N 3.32Å; D139-A141 PolarHBondContact O-N 3.43Å; A141-F144 PolarHBondContact O-N 2.89Å; A141-A145 WeakPolarHBondContact O-CB 2.92Å; A141-A145 PolarHBondContact O-N 2.97Å; A141-L175 HydrophobicContact CB-CD1 2.98Å; A141-L175 HydrophobicContact CB-CD2 3.41Å; A141-L175 VanDerWaalsContact CB-CD2 3.41Å; A141-L175 HydrophobicContact CB-CG 3.65Å |
| 142 | M | 62.1 | Low | 64.4 | Low | 49 Ų | 49 | 43 Ų | 43 | 24% | 0.241 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -75.6 | -42.6 | -169.5 | -70.2 | -63 | -65.8 | 0 | 0 | 109 | W91 I138 D139 F144 A145 E146 | W91-M142 HydrophobicContact CB-CE 4.1Å; W91-M142 HydrophobicContact CD2-CE 3.42Å; W91-M142 VanDerWaalsContact CD2-CE 3.42Å; W91-M142 HydrophobicContact CE3-CE 3.04Å; W91-M142 HydrophobicContact CG-CE 3.92Å; W91-M142 HydrophobicContact CH2-CE 4.21Å; W91-M142 HydrophobicContact CZ3-CE 3.48Å; W91-M142 VanDerWaalsContact CZ3-CE 3.48Å; I138-M142 HydrophobicContact CG1-CG 4.04Å; I138-M142 WeakPolarHBondContact O-CB 3.33Å; I138-M142 WeakPolarHBondContact O-CG 3.49Å; I138-M142 PolarHBondContact O-N 3.07Å; D139-M142 PolarHBondContact O-N 3.47Å; M142-F144 VanDerWaalsContact C-N 3.27Å; M142-F144 PolarHBondContact O-N 2.97Å; M142-A145 PolarHBondContact O-N 2.85Å; M142-E146 PolarHBondContact O-N 2.95Å |
| 143 | S | 63.6 | Low | 64.9 | Low | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.4 | -46.1 | 171.7 | 69.2 | 0 | 0 | 0 | 0 | 110.5 | E87 D139 E140 A145 E146 V147 | E87-S143 WeakPolarHBondContact OE2-CA 3.47Å; E87-S143 WeakPolarHBondContact OE2-CB 3.47Å; D139-S143 PolarHBondContact O-N 3.34Å; D139-S143 VanDerWaalsContact O-N 3.14Å; D139-S143 PolarHBondContact O-OG 3.07Å; E140-S143 PolarHBondContact O-OG 2.91Å; S143-A145 PolarHBondContact O-N 3.37Å; S143-E146 WeakPolarHBondContact O-CB 3.11Å; S143-E146 PolarHBondContact O-N 2.93Å; S143-V147 WeakPolarHBondContact O-CG2 3.46Å; S143-V147 PolarHBondContact O-N 3.01Å |
| 144 | F | 67.6 | Low | 65.3 | Low | 7 Ų | 7 | 47.7 Ų | 47.7 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 176.4 | -167 | -113.8 | 0 | 0 | 0 | 114 | F18 E140 A141 M142 E146 V147 L148 F161 L172 F232 | F18-F144 HydrophobicContact CE1-CE2 4.13Å; F18-F144 HydrophobicContact CE1-CZ 4.08Å; F18-F144 HydrophobicContact CZ-CE2 4.46Å; F18-F144 HydrophobicContact CZ-CZ 4.01Å; E140-F144 WeakPolarHBondContact O-CB 3.34Å; E140-F144 PolarHBondContact O-N 3.07Å; E140-F144 VanDerWaalsContact O-N 3.12Å; A141-F144 PolarHBondContact O-N 2.89Å; M142-F144 VanDerWaalsContact C-N 3.27Å; M142-F144 PolarHBondContact O-N 2.97Å; F144-E146 VanDerWaalsContact C-N 3.32Å; F144-E146 PolarHBondContact O-N 2.74Å; F144-V147 WeakPolarHBondContact O-CB 3.32Å; F144-V147 PolarHBondContact O-N 3.16Å; F144-L148 HydrophobicContact CD1-CD1 3.71Å; F144-L148 HydrophobicContact CD1-CG 4.24Å; F144-L148 HydrophobicContact CE1-CD1 3.32Å; F144-L148 HydrophobicContact CE1-CD2 4.45Å; F144-L148 HydrophobicContact CE1-CG 3.97Å; F144-L148 HydrophobicContact CZ-CD1 3.89Å; F144-L148 HydrophobicContact CZ-CD2 4.19Å; F144-L148 HydrophobicContact CZ-CG 4.13Å; F144-L148 WeakPolarHBondContact O-CG 3.2Å; F144-L148 PolarHBondContact O-N 3.3Å; F144-F161 HydrophobicContact CD2-CE1 4.02Å; F144-F161 HydrophobicContact CD2-CZ 4.39Å; F144-F161 AromaticContact CE2-CD1 3.97Å; F144-F161 HydrophobicContact CE2-CD1 3.97Å; F144-F161 AromaticContact CE2-CE1 3.48Å; F144-F161 HydrophobicContact CE2-CE1 3.48Å; F144-F161 VanDerWaalsContact CE2-CE1 3.48Å; F144-F161 HydrophobicContact CE2-CE2 4.07Å; F144-F161 HydrophobicContact CE2-CG 4.46Å; F144-F161 AromaticContact CE2-CZ 3.54Å; F144-F161 HydrophobicContact CE2-CZ 3.54Å; F144-F161 HydrophobicContact CZ-CE2 4.42Å; F144-F161 HydrophobicContact CZ-CZ 4.18Å; F144-L172 HydrophobicContact CB-CD1 3.61Å; F144-L172 HydrophobicContact CB-CD2 4.43Å; F144-L172 HydrophobicContact CB-CG 3.83Å; F144-L172 HydrophobicContact CD1-CD2 4.03Å; F144-L172 HydrophobicContact CD1-CG 4.12Å; F144-L172 HydrophobicContact CD2-CD1 3.75Å; F144-L172 HydrophobicContact CD2-CD2 3.6Å; F144-L172 HydrophobicContact CD2-CG 3.91Å; F144-L172 HydrophobicContact CE1-CD2 4.08Å; F144-L172 HydrophobicContact CE2-CD2 3.67Å; F144-L172 HydrophobicContact CE2-CG 4.47Å; F144-L172 HydrophobicContact CG-CD1 3.78Å; F144-L172 HydrophobicContact CG-CD2 3.76Å; F144-L172 HydrophobicContact CG-CG 3.69Å; F144-L172 HydrophobicContact CZ-CD2 3.89Å; F144-F232 AromaticContact CE1-CE2 3.5Å; F144-F232 HydrophobicContact CE1-CE2 3.5Å; F144-F232 AromaticContact CE1-CZ 3.66Å; F144-F232 HydrophobicContact CE1-CZ 3.66Å; F144-F232 AromaticContact CZ-CE2 3.54Å; F144-F232 HydrophobicContact CZ-CE2 3.54Å; F144-F232 AromaticContact CZ-CZ 3.42Å; F144-F232 HydrophobicContact CZ-CZ 3.42Å; F144-F232 VanDerWaalsContact CZ-CZ 3.42Å |
| 145 | A | 66.8 | Low | 66.3 | Low | 37 Ų | 37 | 50.7 Ų | 50.7 | 31% | 0.306 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A141 M142 S143 L148 K149 | A141-A145 WeakPolarHBondContact O-CB 2.92Å; A141-A145 PolarHBondContact O-N 2.97Å; M142-A145 PolarHBondContact O-N 2.85Å; S143-A145 PolarHBondContact O-N 3.37Å; A145-L148 PolarHBondContact O-N 2.66Å; A145-K149 WeakPolarHBondContact O-CB 3.12Å; A145-K149 PolarHBondContact O-N 3.43Å |
| 146 | E | 66.1 | Low | 67.9 | Low | 35 Ų | 35 | 49.2 Ų | 49.2 | 16% | 0.164 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63 | -45.9 | 172.9 | -174.7 | 170 | 179.6 | 0 | 0 | 111.1 | W91 M142 S143 F144 L148 K149 L150 | W91-E146 HydrophobicContact CZ2-CB 4.13Å; W91-E146 PolarHBondContact NE1-OE2 3.07Å; M142-E146 PolarHBondContact O-N 2.95Å; S143-E146 WeakPolarHBondContact O-CB 3.11Å; S143-E146 PolarHBondContact O-N 2.93Å; F144-E146 VanDerWaalsContact C-N 3.32Å; F144-E146 PolarHBondContact O-N 2.74Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 2.85Å; E146-K149 WeakPolarHBondContact O-CB 3.2Å; E146-K149 PolarHBondContact O-N 3.38Å; E146-L150 HydrophobicContact CG-CD1 4.11Å; E146-L150 HydrophobicContact CG-CG 4.44Å; E146-L150 WeakPolarHBondContact O-CG 3.46Å; E146-L150 PolarHBondContact O-N 3.38Å |
| 147 | V | 70.2 | Confident | 69.8 | Low | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.3 | -49.8 | 174.7 | -163.5 | 0 | 0 | 0 | 0 | 110.6 | V48 M80 I82 S143 F144 K149 L150 I151 F161 | V48-V147 HydrophobicContact CG1-CG1 3.76Å; V48-V147 HydrophobicContact CG2-CG1 4.1Å; M80-V147 HydrophobicContact CE-CG1 4.22Å; M80-V147 HydrophobicContact SD-CG1 4.21Å; I82-V147 HydrophobicContact CD1-CB 3.9Å; I82-V147 HydrophobicContact CD1-CG1 3.64Å; I82-V147 HydrophobicContact CD1-CG2 3.14Å; I82-V147 HydrophobicContact CG1-CG2 4.41Å; I82-V147 HydrophobicContact CG2-CG2 4.45Å; S143-V147 WeakPolarHBondContact O-CG2 3.46Å; S143-V147 PolarHBondContact O-N 3.01Å; F144-V147 WeakPolarHBondContact O-CB 3.32Å; F144-V147 PolarHBondContact O-N 3.16Å; V147-K149 VanDerWaalsContact C-N 3.27Å; V147-K149 PolarHBondContact O-N 3.35Å; V147-L150 PolarHBondContact O-N 3.49Å; V147-I151 HydrophobicContact CG1-CD1 3.49Å; V147-I151 VanDerWaalsContact CG1-CD1 3.49Å; V147-I151 HydrophobicContact CG1-CG1 4.06Å; V147-I151 WeakPolarHBondContact O-CB 3.32Å; V147-I151 WeakPolarHBondContact O-CG1 3.43Å; V147-I151 PolarHBondContact O-N 3.09Å; V147-F161 HydrophobicContact CG1-CE1 4.01Å; V147-F161 HydrophobicContact CG1-CZ 4.41Å |
| 148 | L | 72.9 | Confident | 71.4 | Confident | 16 Ų | 16 | 46.3 Ų | 46.3 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.2 | -35.7 | -177 | -71.5 | -179.3 | 0 | 0 | 0 | 112 | W16 F144 A145 E146 G152 F161 I228 F232 | W16-L148 HydrophobicContact CE3-CD2 4.46Å; W16-L148 HydrophobicContact CH2-CD2 3.55Å; W16-L148 HydrophobicContact CZ2-CD2 4.26Å; W16-L148 HydrophobicContact CZ3-CD2 3.67Å; F144-L148 HydrophobicContact CD1-CD1 3.71Å; F144-L148 HydrophobicContact CD1-CG 4.24Å; F144-L148 HydrophobicContact CE1-CD1 3.32Å; F144-L148 HydrophobicContact CE1-CD2 4.45Å; F144-L148 HydrophobicContact CE1-CG 3.97Å; F144-L148 HydrophobicContact CZ-CD1 3.89Å; F144-L148 HydrophobicContact CZ-CD2 4.19Å; F144-L148 HydrophobicContact CZ-CG 4.13Å; F144-L148 WeakPolarHBondContact O-CG 3.2Å; F144-L148 PolarHBondContact O-N 3.3Å; A145-L148 PolarHBondContact O-N 2.66Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 2.85Å; L148-G152 PolarHBondContact O-N 3.35Å; L148-F161 HydrophobicContact CD2-CZ 4.06Å; L148-I228 HydrophobicContact CB-CD1 4.29Å; L148-I228 HydrophobicContact CD1-CB 4.3Å; L148-I228 HydrophobicContact CD1-CD1 3.39Å; L148-I228 HydrophobicContact CD1-CG1 3.77Å; L148-I228 HydrophobicContact CD1-CG2 3.54Å; L148-I228 HydrophobicContact CG-CD1 4.49Å; L148-F232 HydrophobicContact CD1-CZ 4.28Å; L148-F232 HydrophobicContact CD2-CZ 4.43Å |
| 149 | K | 69.7 | Low | 73 | Confident | 143 Ų | 143 | 44.9 Ų | 44.9 | 62% | 0.622 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -65.2 | -48.6 | 173.6 | -174.3 | -176.7 | 176.3 | -171 | 0 | 111.2 | A145 E146 V147 I151 G152 | A145-K149 WeakPolarHBondContact O-CB 3.12Å; A145-K149 PolarHBondContact O-N 3.43Å; E146-K149 WeakPolarHBondContact O-CB 3.2Å; E146-K149 PolarHBondContact O-N 3.38Å; V147-K149 VanDerWaalsContact C-N 3.27Å; V147-K149 PolarHBondContact O-N 3.35Å; K149-I151 PolarHBondContact O-N 3.33Å; K149-G152 PolarHBondContact O-N 3.22Å |
| 150 | L | 69.7 | Low | 74.5 | Confident | 65 Ų | 65 | 42 Ų | 42 | 34% | 0.34 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -56.9 | -51.8 | 176.7 | -71.2 | 169.1 | 0 | 0 | 0 | 110.2 | M80 E146 V147 G152 D153 M154 | M80-L150 HydrophobicContact CE-CD1 4.13Å; E146-L150 HydrophobicContact CG-CD1 4.11Å; E146-L150 HydrophobicContact CG-CG 4.44Å; E146-L150 WeakPolarHBondContact O-CG 3.46Å; E146-L150 PolarHBondContact O-N 3.38Å; V147-L150 PolarHBondContact O-N 3.49Å; L150-G152 VanDerWaalsContact C-N 3.34Å; L150-G152 PolarHBondContact O-N 3.37Å; L150-D153 PolarHBondContact O-N 2.95Å; L150-M154 HydrophobicContact CB-CE 4.09Å; L150-M154 WeakPolarHBondContact O-CE 3.43Å |
| 151 | I | 71.5 | Confident | 75.9 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.8 | -39.8 | -177.8 | -69.8 | 177.4 | 0 | 0 | 0 | 112.2 | W16 L46 V48 V147 K149 D153 M154 V159 F161 | W16-I151 HydrophobicContact CH2-CG2 3.78Å; W16-I151 HydrophobicContact CZ3-CD1 4.33Å; W16-I151 HydrophobicContact CZ3-CG2 3.98Å; L46-I151 HydrophobicContact CD2-CD1 3.67Å; L46-I151 HydrophobicContact CD2-CG1 3.58Å; V48-I151 HydrophobicContact CG2-CD1 3.9Å; V147-I151 HydrophobicContact CG1-CD1 3.49Å; V147-I151 VanDerWaalsContact CG1-CD1 3.49Å; V147-I151 HydrophobicContact CG1-CG1 4.06Å; V147-I151 WeakPolarHBondContact O-CB 3.32Å; V147-I151 WeakPolarHBondContact O-CG1 3.43Å; V147-I151 PolarHBondContact O-N 3.09Å; K149-I151 PolarHBondContact O-N 3.33Å; I151-D153 PolarHBondContact O-N 3.37Å; I151-D153 VanDerWaalsContact O-N 3.14Å; I151-M154 HydrophobicContact CG1-CE 4.37Å; I151-M154 PolarHBondContact O-N 3.14Å; I151-V159 HydrophobicContact CD1-CG1 3.65Å; I151-V159 HydrophobicContact CD1-CG2 4.16Å; I151-V159 HydrophobicContact CG2-CG2 3.68Å; I151-F161 HydrophobicContact CD1-CZ 4.19Å |
| 152 | G | 69.3 | Low | 77.3 | Confident | 52 Ų | 52 | 40.4 Ų | 40.4 | 54% | 0.536 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -54.3 | -31.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L148 K149 L150 | L148-G152 PolarHBondContact O-N 3.35Å; K149-G152 PolarHBondContact O-N 3.22Å; L150-G152 VanDerWaalsContact C-N 3.34Å; L150-G152 PolarHBondContact O-N 3.37Å |
| 153 | D | 69.4 | Low | 78.3 | Confident | 132 Ų | 132 | 38.3 Ų | 38.3 | 71% | 0.706 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -82.5 | -17.5 | 178.3 | -66.9 | -23 | 0 | 0 | 0 | 113.5 | L150 I151 | L150-D153 PolarHBondContact O-N 2.95Å; I151-D153 PolarHBondContact O-N 3.37Å; I151-D153 VanDerWaalsContact O-N 3.14Å |
| 154 | M | 70.6 | Confident | 79 | Confident | 67 Ų | 67 | 38.9 Ų | 38.9 | 33% | 0.33 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -101.2 | -1.1 | -168.6 | -66.1 | -174.6 | -68.4 | 0 | 0 | 115.7 | P68 L150 I151 F156 | P68-M154 HydrophobicContact CB-SD 4.3Å; P68-M154 HydrophobicContact CG-CE 3.34Å; P68-M154 HydrophobicContact CG-SD 3.56Å; P68-M154 VanDerWaalsContact CG-SD 3.56Å; L150-M154 HydrophobicContact CB-CE 4.09Å; L150-M154 WeakPolarHBondContact O-CE 3.43Å; I151-M154 HydrophobicContact CG1-CE 4.37Å; I151-M154 PolarHBondContact O-N 3.14Å; M154-F156 VanDerWaalsContact C-N 3.35Å; M154-F156 HydrophobicContact CB-CD2 3.77Å; M154-F156 HydrophobicContact CB-CE2 3.45Å; M154-F156 VanDerWaalsContact CB-CE2 3.45Å; M154-F156 HydrophobicContact CB-CZ 4.38Å; M154-F156 HydrophobicContact CE-CE2 4.05Å; M154-F156 HydrophobicContact CG-CE2 4.35Å; M154-F156 PolarHBondContact O-N 2.98Å; M154-F156 HydrophobicContact SD-CE2 4.13Å |
| 155 | N | 83.4 | Confident | 79.1 | Confident | 141 Ų | 141 | 41 Ų | 41 | 75% | 0.754 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 46.4 | 172.8 | -65 | -46.1 | 0 | 0 | 0 | 115 | ||
| 156 | F | 91.1 | Very high | 78.8 | Confident | 36 Ų | 36 | 39.7 Ų | 39.7 | 16% | 0.158 | 22% | 0.219 | C | C | . | . | trans | -71.6 | 140.2 | 170.8 | -70.8 | -74.5 | 0 | 0 | 0 | 111.4 | S44 L46 P68 Y78 M154 V159 | S44-F156 WeakPolarHBondContact OG-CA 3.41Å; L46-F156 HydrophobicContact CB-CB 4.32Å; L46-F156 HydrophobicContact CB-CD1 3.87Å; L46-F156 HydrophobicContact CB-CD2 3.88Å; L46-F156 HydrophobicContact CB-CE1 4.15Å; L46-F156 HydrophobicContact CB-CE2 4.13Å; L46-F156 HydrophobicContact CB-CG 3.74Å; L46-F156 HydrophobicContact CB-CZ 4.27Å; L46-F156 HydrophobicContact CD1-CE2 4.35Å; L46-F156 HydrophobicContact CD1-CZ 4.34Å; L46-F156 HydrophobicContact CD2-CD2 3.7Å; L46-F156 HydrophobicContact CD2-CE2 3.74Å; L46-F156 HydrophobicContact CD2-CG 4.4Å; L46-F156 HydrophobicContact CD2-CZ 4.48Å; L46-F156 HydrophobicContact CG-CD2 4.35Å; L46-F156 HydrophobicContact CG-CE2 4.3Å; P68-F156 HydrophobicContact CB-CZ 4.25Å; P68-F156 HydrophobicContact CG-CE2 4.49Å; Y78-F156 HydrophobicContact CD1-CZ 4.49Å; Y78-F156 HydrophobicContact CD2-CD1 4.4Å; Y78-F156 AromaticContact CD2-CE1 3.45Å; Y78-F156 HydrophobicContact CD2-CE1 3.45Å; Y78-F156 VanDerWaalsContact CD2-CE1 3.45Å; Y78-F156 HydrophobicContact CD2-CZ 4.17Å; Y78-F156 AromaticContact CE2-CE1 3.99Å; Y78-F156 HydrophobicContact CE2-CE1 3.99Å; Y78-F156 AromaticContact CG-CE1 3.74Å; Y78-F156 HydrophobicContact CG-CE1 3.74Å; Y78-F156 AromaticContact CG-CZ 4Å; Y78-F156 HydrophobicContact CG-CZ 4Å; M154-F156 VanDerWaalsContact C-N 3.35Å; M154-F156 HydrophobicContact CB-CD2 3.77Å; M154-F156 HydrophobicContact CB-CE2 3.45Å; M154-F156 VanDerWaalsContact CB-CE2 3.45Å; M154-F156 HydrophobicContact CB-CZ 4.38Å; M154-F156 HydrophobicContact CE-CE2 4.05Å; M154-F156 HydrophobicContact CG-CE2 4.35Å; M154-F156 PolarHBondContact O-N 2.98Å; M154-F156 HydrophobicContact SD-CE2 4.13Å; F156-V159 HydrophobicContact CB-CG2 4.16Å | ||
| 157 | D | 93.2 | Very high | 78.5 | Confident | 54 Ų | 54 | 40.1 Ų | 40.1 | 29% | 0.289 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -68.9 | -37.9 | 177.2 | -177 | 34.1 | 0 | 0 | 0 | 111.2 | R42 S44 | R42-D157 VanDerWaalsContact CB-OD2 3.29Å; R42-D157 WeakPolarHBondContact CB-OD2 3.3Å; R42-D157 VanDerWaalsContact CD-OD2 3.27Å; R42-D157 WeakPolarHBondContact CD-OD2 3.49Å; R42-D157 IonicContact CZ-OD2 2.75Å; R42-D157 IonicContact NE-OD2 2.55Å; R42-D157 IonicContact NH1-OD1 3.67Å; R42-D157 PolarHBondContact NH1-OD1 2.97Å; R42-D157 VanDerWaalsContact NH1-OD1 3.14Å; R42-D157 IonicContact NH1-OD2 2.73Å; R42-D157 PolarHBondContact NH1-OD2 2.87Å; S44-D157 WeakPolarHBondContact O-CB 3.35Å; S44-D157 PolarHBondContact O-N 3.43Å; S44-D157 VanDerWaalsContact O-N 3.15Å; S44-D157 PolarHBondContact OG-N 2.95Å |
| 158 | V | 94.6 | Very high | 78.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 144.5 | 173.4 | 69.2 | 0 | 0 | 0 | 0 | 112.1 | I17 L38 R42 S44 V45 L46 | I17-V158 HydrophobicContact CD1-CG2 3.62Å; I17-V158 HydrophobicContact CG1-CG2 4.04Å; L38-V158 HydrophobicContact CB-CG1 4.46Å; L38-V158 HydrophobicContact CD1-CG1 4.31Å; R42-V158 HydrophobicContact CB-CG1 4.3Å; R42-V158 HydrophobicContact CG-CG1 3.85Å; S44-V158 PolarHBondContact O-N 3.3Å; V45-V158 HydrophobicContact CB-CG1 4.3Å; V45-V158 HydrophobicContact CG1-CG1 4.09Å; V45-V158 HydrophobicContact CG2-CG1 3.87Å; L46-V158 PolarHBondContact N-O 2.89Å |
| 159 | V | 93.4 | Very high | 77.8 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 132.1 | 177.1 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | Q15 W16 I17 L46 V48 I151 F156 F161 | Q15-V159 PolarHBondContact O-N 3.4Å; W16-V159 HydrophobicContact CE3-CB 3.71Å; W16-V159 HydrophobicContact CE3-CG1 4.17Å; W16-V159 HydrophobicContact CE3-CG2 4.13Å; W16-V159 HydrophobicContact CZ3-CB 3.78Å; W16-V159 HydrophobicContact CZ3-CG1 4.04Å; W16-V159 HydrophobicContact CZ3-CG2 3.79Å; I17-V159 PolarHBondContact N-O 3.23Å; L46-V159 HydrophobicContact CB-CG2 4.35Å; L46-V159 HydrophobicContact CD2-CG1 4.39Å; L46-V159 HydrophobicContact CD2-CG2 4.41Å; L46-V159 CarbonylContact O-C 3.59Å; L46-V159 WeakPolarHBondContact O-CA 3.48Å; V48-V159 HydrophobicContact CG2-CG1 3.84Å; I151-V159 HydrophobicContact CD1-CG1 3.65Å; I151-V159 HydrophobicContact CD1-CG2 4.16Å; I151-V159 HydrophobicContact CG2-CG2 3.68Å; F156-V159 HydrophobicContact CB-CG2 4.16Å; V159-F161 HydrophobicContact CG1-CD2 4.14Å; V159-F161 HydrophobicContact CG1-CE2 3.76Å; V159-F161 HydrophobicContact CG1-CZ 4.03Å |
| 160 | I | 94.5 | Very high | 77.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 120.8 | 178.4 | -56.9 | 155.2 | 0 | 0 | 0 | 108.2 | I17 V19 A35 L38 V45 L46 I47 V48 | I17-I160 HydrophobicContact CB-CG1 4.3Å; I17-I160 HydrophobicContact CD1-CG1 4.49Å; I17-I160 CarbonylContact O-C 3.57Å; I17-I160 VanDerWaalsContact O-CA 3.25Å; I17-I160 WeakPolarHBondContact O-CA 3.41Å; V19-I160 HydrophobicContact CG2-CG2 4Å; A35-I160 HydrophobicContact CB-CD1 3.33Å; L38-I160 HydrophobicContact CD1-CD1 3.63Å; L38-I160 HydrophobicContact CD1-CG1 4.05Å; V45-I160 HydrophobicContact CG1-CD1 3.74Å; L46-I160 PolarHBondContact O-N 3.2Å; I47-I160 CarbonylContact C-O 3.5Å; I47-I160 WeakPolarHBondContact CA-O 3.44Å; I47-I160 HydrophobicContact CG1-CB 4.43Å; I47-I160 HydrophobicContact CG1-CG2 4.46Å; V48-I160 PolarHBondContact N-O 2.74Å |
| 161 | F | 91.3 | Very high | 77.2 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 113.1 | 174.4 | -74.4 | -81.4 | 0 | 0 | 0 | 109.9 | W16 I17 F18 V19 V48 F144 V147 L148 I151 V159 T163 | W16-F161 AromaticContact CE3-CE2 3.6Å; W16-F161 HydrophobicContact CE3-CE2 3.6Å; W16-F161 HydrophobicContact CE3-CZ 4.4Å; W16-F161 AromaticContact CZ3-CE2 3.83Å; W16-F161 HydrophobicContact CZ3-CE2 3.83Å; W16-F161 HydrophobicContact CZ3-CZ 4.18Å; I17-F161 PolarHBondContact O-N 2.95Å; F18-F161 HydrophobicContact CD1-CB 3.57Å; F18-F161 AromaticContact CD1-CD2 3.98Å; F18-F161 HydrophobicContact CD1-CD2 3.98Å; F18-F161 AromaticContact CD1-CG 4Å; F18-F161 HydrophobicContact CD1-CG 4Å; F18-F161 HydrophobicContact CE1-CB 3.82Å; F18-F161 AromaticContact CE1-CD2 3.47Å; F18-F161 HydrophobicContact CE1-CD2 3.47Å; F18-F161 VanDerWaalsContact CE1-CD2 3.47Å; F18-F161 HydrophobicContact CE1-CE2 4.13Å; F18-F161 AromaticContact CE1-CG 3.7Å; F18-F161 HydrophobicContact CE1-CG 3.7Å; F18-F161 HydrophobicContact CE2-CD2 4.43Å; F18-F161 HydrophobicContact CG-CB 4.38Å; F18-F161 AromaticContact CZ-CD2 3.72Å; F18-F161 HydrophobicContact CZ-CD2 3.72Å; F18-F161 HydrophobicContact CZ-CE2 4.07Å; F18-F161 HydrophobicContact CZ-CG 4.41Å; V19-F161 PolarHBondContact N-O 2.95Å; V48-F161 HydrophobicContact CB-CD1 3.86Å; V48-F161 HydrophobicContact CB-CE1 4.01Å; V48-F161 HydrophobicContact CG1-CD1 4.08Å; V48-F161 HydrophobicContact CG1-CE1 4.02Å; V48-F161 HydrophobicContact CG2-CD1 4.39Å; V48-F161 HydrophobicContact CG2-CE1 4.16Å; F144-F161 HydrophobicContact CD2-CE1 4.02Å; F144-F161 HydrophobicContact CD2-CZ 4.39Å; F144-F161 AromaticContact CE2-CD1 3.97Å; F144-F161 HydrophobicContact CE2-CD1 3.97Å; F144-F161 AromaticContact CE2-CE1 3.48Å; F144-F161 HydrophobicContact CE2-CE1 3.48Å; F144-F161 VanDerWaalsContact CE2-CE1 3.48Å; F144-F161 HydrophobicContact CE2-CE2 4.07Å; F144-F161 HydrophobicContact CE2-CG 4.46Å; F144-F161 AromaticContact CE2-CZ 3.54Å; F144-F161 HydrophobicContact CE2-CZ 3.54Å; F144-F161 HydrophobicContact CZ-CE2 4.42Å; F144-F161 HydrophobicContact CZ-CZ 4.18Å; V147-F161 HydrophobicContact CG1-CE1 4.01Å; V147-F161 HydrophobicContact CG1-CZ 4.41Å; L148-F161 HydrophobicContact CD2-CZ 4.06Å; I151-F161 HydrophobicContact CD1-CZ 4.19Å; V159-F161 HydrophobicContact CG1-CD2 4.14Å; V159-F161 HydrophobicContact CG1-CE2 3.76Å; V159-F161 HydrophobicContact CG1-CZ 4.03Å; F161-T163 HydrophobicContact CB-CG2 4.14Å; F161-T163 PolarHBondContact O-N 2.9Å |
| 162 | D | 91.4 | Very high | 76.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 103.6 | 164.7 | -168.3 | 38.1 | 0 | 0 | 0 | 108.1 | T28 S31 V48 T50 | T28-D162 WeakPolarHBondContact CA-OD2 3.48Å; T28-D162 VanDerWaalsContact CB-OD2 3.27Å; T28-D162 WeakPolarHBondContact CB-OD2 3.45Å; T28-D162 WeakPolarHBondContact CG2-OD2 3.16Å; T28-D162 PolarHBondContact OG1-OD2 3.38Å; S31-D162 PolarHBondContact OG-OD1 2.87Å; V48-D162 PolarHBondContact O-N 3.48Å; T50-D162 PolarHBondContact N-O 3.48Å; T50-D162 VanDerWaalsContact N-O 3.09Å; T50-D162 PolarHBondContact OG1-O 3.11Å |
| 163 | T | 84.5 | Confident | 76.7 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -88.4 | 150.9 | -169.1 | 68.9 | 0 | 0 | 0 | 0 | 111.8 | F18 V19 G20 K27 F161 T169 | F18-T163 HydrophobicContact CD1-CG2 3.99Å; V19-T163 WeakPolarHBondContact O-CB 3.46Å; V19-T163 WeakPolarHBondContact O-CG2 3.45Å; V19-T163 PolarHBondContact O-N 3.27Å; V19-T163 VanDerWaalsContact O-N 3.13Å; V19-T163 PolarHBondContact O-OG1 3.41Å; G20-T163 VanDerWaalsContact CA-OG1 3.3Å; G20-T163 WeakPolarHBondContact CA-OG1 3.25Å; K27-T163 WeakPolarHBondContact CE-O 3.19Å; F161-T163 HydrophobicContact CB-CG2 4.14Å; F161-T163 PolarHBondContact O-N 2.9Å; T163-T169 VanDerWaalsContact CB-CG2 3.43Å; T163-T169 VanDerWaalsContact CB-OG1 3.22Å; T163-T169 WeakPolarHBondContact CB-OG1 3.32Å; T163-T169 HydrophobicContact CG2-CG2 3.51Å; T163-T169 WeakPolarHBondContact OG1-CG2 3.49Å; T163-T169 PolarHBondContact OG1-OG1 2.92Å |
| 164 | A | 77.1 | Confident | 76.7 | Confident | 14 Ų | 14 | 34 Ų | 34 | 12% | 0.116 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -54.3 | 168.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T50 H168 T169 | T50-A164 PolarHBondContact OG1-N 3.21Å; A164-H168 HydrophobicContact CB-CB 3.99Å; A164-T169 PolarHBondContact O-OG1 3.49Å |
| 165 | P | 70.3 | Confident | 76.5 | Confident | 51 Ų | 51 | 31.6 Ų | 31.6 | 33% | 0.331 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -54.3 | 145.5 | 176 | -25.8 | 35.1 | 0 | 0 | 0 | 112.9 | G167 H168 | P165-G167 VanDerWaalsContact C-N 3.25Å; P165-G167 PolarHBondContact O-N 3.14Å; P165-H168 PolarHBondContact O-N 2.9Å |
| 166 | T | 60.8 | Low | 75.6 | Confident | 11 Ų | 11 | 25.3 Ų | 25.3 | 7% | 0.067 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -27.6 | -47.4 | -171.9 | 50 | 0 | 0 | 0 | 0 | 117.5 | G21 H168 L170 E253 L257 | G21-T166 WeakPolarHBondContact O-CG2 3.35Å; G21-T166 PolarHBondContact O-N 3.42Å; T166-H168 VanDerWaalsContact C-N 3.34Å; T166-H168 PolarHBondContact O-N 3.12Å; T166-L170 PolarHBondContact O-N 3.39Å; T166-E253 HydrophobicContact CG2-CG 4.01Å; T166-E253 PolarHBondContact OG1-OE1 3.38Å; T166-L257 HydrophobicContact CG2-CB 4.24Å; T166-L257 HydrophobicContact CG2-CD1 4.28Å; T166-L257 HydrophobicContact CG2-CD2 3.86Å; T166-L257 HydrophobicContact CG2-CG 4.36Å |
| 167 | G | 60.1 | Low | 74.5 | Confident | 43 Ų | 43 | 28.2 Ų | 28.2 | 44% | 0.443 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.9 | -30.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | P165 | P165-G167 VanDerWaalsContact C-N 3.25Å; P165-G167 PolarHBondContact O-N 3.14Å |
| 168 | H | 63.6 | Low | 73.3 | Confident | 87 Ų | 87 | 29 Ų | 29 | 40% | 0.403 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -87.5 | -38.7 | -179.9 | -72.8 | -90.6 | 0 | 0 | 0 | 111.8 | E140 A164 P165 T166 L170 R171 L172 | E140-H168 IonicContact OE1-CE1 2.75Å; E140-H168 IonicContact OE1-CG 2.79Å; E140-H168 IonicContact OE1-ND1 2.78Å; E140-H168 PolarHBondContact OE1-ND1 2.94Å; A164-H168 HydrophobicContact CB-CB 3.99Å; P165-H168 PolarHBondContact O-N 2.9Å; T166-H168 VanDerWaalsContact C-N 3.34Å; T166-H168 PolarHBondContact O-N 3.12Å; H168-L170 VanDerWaalsContact C-N 3.34Å; H168-L170 PolarHBondContact O-N 2.75Å; H168-R171 WeakPolarHBondContact O-CB 3.5Å; H168-R171 PolarHBondContact O-N 3.39Å; H168-R171 VanDerWaalsContact O-N 3.09Å; H168-L172 PolarHBondContact O-N 3.47Å |
| 169 | T | 64 | Low | 71.9 | Confident | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.5 | -44.1 | -179.9 | -51 | 0 | 0 | 0 | 0 | 112.8 | T163 A164 R171 L172 L173 F240 | T163-T169 VanDerWaalsContact CB-CG2 3.43Å; T163-T169 VanDerWaalsContact CB-OG1 3.22Å; T163-T169 WeakPolarHBondContact CB-OG1 3.32Å; T163-T169 HydrophobicContact CG2-CG2 3.51Å; T163-T169 WeakPolarHBondContact OG1-CG2 3.49Å; T163-T169 PolarHBondContact OG1-OG1 2.92Å; A164-T169 PolarHBondContact O-OG1 3.49Å; T169-R171 PolarHBondContact O-N 3.41Å; T169-L172 WeakPolarHBondContact O-CB 3.34Å; T169-L172 PolarHBondContact O-N 3.28Å; T169-L173 HydrophobicContact CG2-CD1 4.04Å; T169-L173 WeakPolarHBondContact O-CG 3.33Å; T169-L173 PolarHBondContact O-N 2.87Å; T169-F240 HydrophobicContact CG2-CE2 4.07Å; T169-F240 HydrophobicContact CG2-CZ 4.45Å |
| 170 | L | 65.7 | Low | 70.6 | Confident | 25 Ų | 25 | 34.9 Ų | 34.9 | 13% | 0.131 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.5 | -28.7 | -179.9 | -72 | 170.4 | 0 | 0 | 0 | 112.5 | T166 H168 L173 S174 L257 D260 L261 L264 | T166-L170 PolarHBondContact O-N 3.39Å; H168-L170 VanDerWaalsContact C-N 3.34Å; H168-L170 PolarHBondContact O-N 2.75Å; L170-L173 PolarHBondContact O-N 3.22Å; L170-S174 VanDerWaalsContact O-CB 3.27Å; L170-S174 WeakPolarHBondContact O-CB 3.37Å; L170-S174 PolarHBondContact O-N 2.95Å; L170-S174 PolarHBondContact O-OG 3.36Å; L170-L257 HydrophobicContact CD1-CD1 4.03Å; L170-L257 HydrophobicContact CD2-CD1 3.98Å; L170-L257 HydrophobicContact CG-CD1 3.96Å; L170-D260 HydrophobicContact CD1-CB 3.48Å; L170-D260 VanDerWaalsContact CD1-CB 3.48Å; L170-D260 WeakPolarHBondContact CD1-OD2 3.38Å; L170-D260 HydrophobicContact CD2-CB 3.87Å; L170-D260 HydrophobicContact CG-CB 4.31Å; L170-L261 HydrophobicContact CD2-CD2 4.16Å; L170-L261 HydrophobicContact CD2-CG 4.35Å; L170-L264 HydrophobicContact CD2-CD1 3.88Å |
| 171 | R | 61.8 | Low | 69.4 | Low | 117 Ų | 117 | 40.6 Ų | 40.6 | 44% | 0.442 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -67.1 | -46.3 | 176 | -66.6 | 178.6 | -177.7 | 177 | -0.2 | 110.6 | H168 T169 L173 S174 L175 | H168-R171 WeakPolarHBondContact O-CB 3.5Å; H168-R171 PolarHBondContact O-N 3.39Å; H168-R171 VanDerWaalsContact O-N 3.09Å; T169-R171 PolarHBondContact O-N 3.41Å; R171-L173 VanDerWaalsContact C-N 3.33Å; R171-L173 PolarHBondContact O-N 3.48Å; R171-S174 PolarHBondContact O-N 3.2Å; R171-S174 VanDerWaalsContact O-N 3.14Å; R171-S174 PolarHBondContact O-OG 2.98Å; R171-L175 PolarHBondContact O-N 2.87Å |
| 172 | L | 63.4 | Low | 68.2 | Low | 13 Ų | 13 | 42.3 Ų | 42.3 | 7% | 0.068 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.3 | -42.2 | 176.1 | 176.9 | 148.5 | 0 | 0 | 0 | 111.8 | E140 F144 H168 T169 L175 | E140-L172 HydrophobicContact CB-CB 4.42Å; E140-L172 HydrophobicContact CB-CD1 4.26Å; E140-L172 WeakPolarHBondContact O-CD1 3.37Å; F144-L172 HydrophobicContact CB-CD1 3.61Å; F144-L172 HydrophobicContact CB-CD2 4.43Å; F144-L172 HydrophobicContact CB-CG 3.83Å; F144-L172 HydrophobicContact CD1-CD2 4.03Å; F144-L172 HydrophobicContact CD1-CG 4.12Å; F144-L172 HydrophobicContact CD2-CD1 3.75Å; F144-L172 HydrophobicContact CD2-CD2 3.6Å; F144-L172 HydrophobicContact CD2-CG 3.91Å; F144-L172 HydrophobicContact CE1-CD2 4.08Å; F144-L172 HydrophobicContact CE2-CD2 3.67Å; F144-L172 HydrophobicContact CE2-CG 4.47Å; F144-L172 HydrophobicContact CG-CD1 3.78Å; F144-L172 HydrophobicContact CG-CD2 3.76Å; F144-L172 HydrophobicContact CG-CG 3.69Å; F144-L172 HydrophobicContact CZ-CD2 3.89Å; H168-L172 PolarHBondContact O-N 3.47Å; T169-L172 WeakPolarHBondContact O-CB 3.34Å; T169-L172 PolarHBondContact O-N 3.28Å; L172-L175 WeakPolarHBondContact O-CB 3.47Å; L172-L175 PolarHBondContact O-N 2.79Å |
| 173 | L | 67.2 | Low | 67 | Low | 8 Ų | 8 | 43.2 Ų | 43.2 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.8 | -28.6 | 176.2 | -64.9 | 170 | 0 | 0 | 0 | 113.4 | F18 T169 L170 R171 L175 P176 F232 F240 L261 L264 M266 | F18-L173 HydrophobicContact CD1-CD2 4.26Å; F18-L173 HydrophobicContact CE1-CD2 3.86Å; F18-L173 HydrophobicContact CE2-CD2 4.29Å; F18-L173 HydrophobicContact CZ-CD2 3.88Å; T169-L173 HydrophobicContact CG2-CD1 4.04Å; T169-L173 WeakPolarHBondContact O-CG 3.33Å; T169-L173 PolarHBondContact O-N 2.87Å; L170-L173 PolarHBondContact O-N 3.22Å; R171-L173 VanDerWaalsContact C-N 3.33Å; R171-L173 PolarHBondContact O-N 3.48Å; L173-L175 VanDerWaalsContact C-N 3.25Å; L173-L175 PolarHBondContact O-N 2.95Å; L173-P176 WeakPolarHBondContact O-CD 3.4Å; L173-F232 HydrophobicContact CD2-CD2 4.09Å; L173-F232 HydrophobicContact CD2-CE2 4.19Å; L173-F240 HydrophobicContact CD1-CD2 4.31Å; L173-F240 HydrophobicContact CD1-CE2 4.11Å; L173-L261 HydrophobicContact CD1-CD2 4.09Å; L173-L264 HydrophobicContact CB-CD1 3.88Å; L173-M266 HydrophobicContact CB-SD 4.06Å; L173-M266 HydrophobicContact CD1-CE 3.92Å; L173-M266 HydrophobicContact CD1-SD 3.65Å; L173-M266 HydrophobicContact CD2-CE 3.77Å; L173-M266 HydrophobicContact CD2-SD 3.79Å; L173-M266 HydrophobicContact CG-CE 4.41Å; L173-M266 HydrophobicContact CG-SD 4.03Å |
| 174 | S | 69.3 | Low | 66 | Low | 34 Ų | 34 | 45.2 Ų | 45.2 | 24% | 0.238 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -77 | -14.4 | 175.1 | 78 | 0 | 0 | 0 | 0 | 113.4 | L170 R171 P176 K177 V178 | L170-S174 VanDerWaalsContact O-CB 3.27Å; L170-S174 WeakPolarHBondContact O-CB 3.37Å; L170-S174 PolarHBondContact O-N 2.95Å; L170-S174 PolarHBondContact O-OG 3.36Å; R171-S174 PolarHBondContact O-N 3.2Å; R171-S174 VanDerWaalsContact O-N 3.14Å; R171-S174 PolarHBondContact O-OG 2.98Å; S174-P176 VanDerWaalsContact C-CD 3.48Å; S174-K177 WeakPolarHBondContact O-CB 3.32Å; S174-K177 PolarHBondContact O-N 3.11Å; S174-K177 VanDerWaalsContact O-N 3.07Å; S174-V178 PolarHBondContact O-N 3.37Å; S174-V178 VanDerWaalsContact O-N 3.13Å |
| 175 | L | 65.1 | Low | 65.5 | Low | 16 Ų | 16 | 53.1 Ų | 53.1 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -53.7 | -47.7 | -172.2 | -173.2 | 85.4 | 0 | 0 | 0 | 113.8 | A141 R171 L172 L173 K177 V178 I179 | A141-L175 HydrophobicContact CB-CD1 2.98Å; A141-L175 HydrophobicContact CB-CD2 3.41Å; A141-L175 VanDerWaalsContact CB-CD2 3.41Å; A141-L175 HydrophobicContact CB-CG 3.65Å; R171-L175 PolarHBondContact O-N 2.87Å; L172-L175 WeakPolarHBondContact O-CB 3.47Å; L172-L175 PolarHBondContact O-N 2.79Å; L173-L175 VanDerWaalsContact C-N 3.25Å; L173-L175 PolarHBondContact O-N 2.95Å; L175-K177 PolarHBondContact O-N 2.91Å; L175-K177 VanDerWaalsContact O-N 3.11Å; L175-V178 WeakPolarHBondContact O-CA 3.09Å; L175-V178 PolarHBondContact O-N 3.48Å; L175-I179 HydrophobicContact CD1-CD1 4.11Å; L175-I179 HydrophobicContact CD1-CG1 4.34Å; L175-I179 HydrophobicContact CD2-CD1 3.47Å; L175-I179 VanDerWaalsContact CD2-CD1 3.47Å; L175-I179 HydrophobicContact CD2-CG1 4.44Å; L175-I179 HydrophobicContact CG-CD1 3.58Å; L175-I179 HydrophobicContact CG-CG1 4.03Å; L175-I179 PolarHBondContact O-N 3.48Å |
| 176 | P | 65.6 | Low | 65.3 | Low | 8 Ų | 8 | 54.4 Ų | 54.4 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.2 | -35.8 | -177.6 | -25.6 | 37.2 | 0 | 0 | 0 | 112 | L173 S174 E180 I225 N229 | L173-P176 WeakPolarHBondContact O-CD 3.4Å; S174-P176 VanDerWaalsContact C-CD 3.48Å; P176-E180 WeakPolarHBondContact O-CB 3.47Å; P176-E180 PolarHBondContact O-N 3.43Å; P176-I225 HydrophobicContact CB-CG2 3.59Å; P176-I225 HydrophobicContact CG-CG2 4.32Å; P176-N229 HydrophobicContact CB-CB 3.62Å; P176-N229 HydrophobicContact CG-CB 4.17Å |
| 177 | K | 68.3 | Low | 65.5 | Low | 98 Ų | 98 | 57.9 Ų | 57.9 | 43% | 0.426 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -71.8 | -36.1 | 177 | -167.5 | 176.6 | -171.9 | 171.5 | 0 | 112.4 | S174 L175 K181 | S174-K177 WeakPolarHBondContact O-CB 3.32Å; S174-K177 PolarHBondContact O-N 3.11Å; S174-K177 VanDerWaalsContact O-N 3.07Å; L175-K177 PolarHBondContact O-N 2.91Å; L175-K177 VanDerWaalsContact O-N 3.11Å; K177-K181 WeakPolarHBondContact O-CB 3.44Å; K177-K181 VanDerWaalsContact O-CG 3.3Å; K177-K181 WeakPolarHBondContact O-CG 3.41Å; K177-K181 PolarHBondContact O-N 3.42Å; K177-K181 VanDerWaalsContact O-N 3.11Å |
| 178 | V | 68 | Low | 65.8 | Low | 71 Ų | 71 | 65.2 Ų | 65.2 | 43% | 0.43 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.2 | -47.5 | 175.5 | 177.2 | 0 | 0 | 0 | 0 | 110.1 | S174 L175 K181 G182 | S174-V178 PolarHBondContact O-N 3.37Å; S174-V178 VanDerWaalsContact O-N 3.13Å; L175-V178 WeakPolarHBondContact O-CA 3.09Å; L175-V178 PolarHBondContact O-N 3.48Å; V178-K181 PolarHBondContact O-N 3.33Å; V178-G182 PolarHBondContact O-N 2.99Å |
| 179 | I | 65.2 | Low | 66 | Low | 58 Ų | 58 | 67 Ų | 67 | 30% | 0.297 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 177.4 | -66.8 | 176.3 | 0 | 0 | 0 | 110.6 | L175 K181 G182 F183 I225 | L175-I179 HydrophobicContact CD1-CD1 4.11Å; L175-I179 HydrophobicContact CD1-CG1 4.34Å; L175-I179 HydrophobicContact CD2-CD1 3.47Å; L175-I179 VanDerWaalsContact CD2-CD1 3.47Å; L175-I179 HydrophobicContact CD2-CG1 4.44Å; L175-I179 HydrophobicContact CG-CD1 3.58Å; L175-I179 HydrophobicContact CG-CG1 4.03Å; L175-I179 PolarHBondContact O-N 3.48Å; I179-K181 VanDerWaalsContact C-N 3.33Å; I179-K181 PolarHBondContact O-N 2.82Å; I179-G182 CarbonylContact O-C 3.54Å; I179-G182 PolarHBondContact O-N 2.81Å; I179-G182 VanDerWaalsContact O-N 3.15Å; I179-F183 VanDerWaalsContact O-CB 3.22Å; I179-F183 WeakPolarHBondContact O-CB 3.49Å; I179-F183 PolarHBondContact O-N 3.46Å; I179-I225 HydrophobicContact CB-CD1 4.26Å; I179-I225 HydrophobicContact CD1-CD1 3.64Å; I179-I225 HydrophobicContact CG2-CD1 3.68Å |
| 180 | E | 65.8 | Low | 66 | Low | 67 Ų | 67 | 71.4 Ų | 71.4 | 31% | 0.313 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 176.4 | 179.5 | 174.6 | -148.6 | 0 | 0 | 112.4 | P176 S184 Y222 | P176-E180 WeakPolarHBondContact O-CB 3.47Å; P176-E180 PolarHBondContact O-N 3.43Å; E180-S184 VanDerWaalsContact O-CB 3.28Å; E180-S184 WeakPolarHBondContact O-CB 3.48Å; E180-S184 PolarHBondContact O-N 3.14Å; E180-S184 PolarHBondContact O-OG 3.42Å; E180-Y222 HydrophobicContact CB-CE2 4.25Å; E180-Y222 HydrophobicContact CG-CE2 4.1Å; E180-Y222 PolarHBondContact OE1-OH 3.45Å |
| 181 | K | 68.9 | Low | 66.1 | Low | 121 Ų | 121 | 72.9 Ų | 72.9 | 53% | 0.526 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 173.3 | -76.1 | 178.6 | 178.8 | -176.2 | 0 | 112.3 | K177 V178 I179 S184 R185 | K177-K181 WeakPolarHBondContact O-CB 3.44Å; K177-K181 VanDerWaalsContact O-CG 3.3Å; K177-K181 WeakPolarHBondContact O-CG 3.41Å; K177-K181 PolarHBondContact O-N 3.42Å; K177-K181 VanDerWaalsContact O-N 3.11Å; V178-K181 PolarHBondContact O-N 3.33Å; I179-K181 VanDerWaalsContact C-N 3.33Å; I179-K181 PolarHBondContact O-N 2.82Å; K181-S184 WeakPolarHBondContact CA-OG 3.28Å; K181-S184 PolarHBondContact O-OG 2.69Å; K181-R185 WeakPolarHBondContact O-CG 3.39Å; K181-R185 PolarHBondContact O-N 2.69Å |
| 182 | G | 65.6 | Low | 66.4 | Low | 37 Ų | 37 | 72.2 Ų | 72.2 | 38% | 0.381 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.8 | -48.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V178 I179 R185 L186 | V178-G182 PolarHBondContact O-N 2.99Å; I179-G182 CarbonylContact O-C 3.54Å; I179-G182 PolarHBondContact O-N 2.81Å; I179-G182 VanDerWaalsContact O-N 3.15Å; G182-R185 WeakPolarHBondContact O-CB 3.26Å; G182-R185 PolarHBondContact O-N 3.31Å; G182-R185 VanDerWaalsContact O-N 3.16Å; G182-L186 PolarHBondContact O-N 3.2Å |
| 183 | F | 66.4 | Low | 66.4 | Low | 18 Ų | 18 | 74.2 Ų | 74.2 | 8% | 0.079 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.6 | -42.4 | -179.6 | -166.3 | -114.1 | 0 | 0 | 0 | 111.8 | I179 R185 L186 I187 I218 E219 Y222 | I179-F183 VanDerWaalsContact O-CB 3.22Å; I179-F183 WeakPolarHBondContact O-CB 3.49Å; I179-F183 PolarHBondContact O-N 3.46Å; F183-R185 VanDerWaalsContact C-N 3.28Å; F183-R185 PolarHBondContact O-N 3.41Å; F183-L186 WeakPolarHBondContact O-CB 3.24Å; F183-L186 PolarHBondContact O-N 2.88Å; F183-L186 VanDerWaalsContact O-N 3.1Å; F183-I187 HydrophobicContact CD1-CD1 3.61Å; F183-I187 HydrophobicContact CD1-CG1 4.35Å; F183-I187 HydrophobicContact CE1-CD1 3.47Å; F183-I187 VanDerWaalsContact CE1-CD1 3.47Å; F183-I187 HydrophobicContact CE1-CG1 4.16Å; F183-I187 HydrophobicContact CG-CD1 4.4Å; F183-I187 HydrophobicContact CZ-CD1 4.12Å; F183-I187 HydrophobicContact CZ-CG1 4.35Å; F183-I187 WeakPolarHBondContact O-CG1 3.44Å; F183-I187 PolarHBondContact O-N 3.17Å; F183-I218 HydrophobicContact CD2-CG2 3.66Å; F183-I218 HydrophobicContact CE2-CB 4.11Å; F183-I218 HydrophobicContact CE2-CG2 3.25Å; F183-I218 HydrophobicContact CZ-CG2 4.25Å; F183-E219 HydrophobicContact CZ-CG 4.05Å; F183-Y222 HydrophobicContact CB-CD2 4.24Å; F183-Y222 HydrophobicContact CB-CE2 4.41Å; F183-Y222 HydrophobicContact CD1-CD1 4.22Å; F183-Y222 AromaticContact CD1-CD2 3.41Å; F183-Y222 HydrophobicContact CD1-CD2 3.41Å; F183-Y222 VanDerWaalsContact CD1-CD2 3.41Å; F183-Y222 HydrophobicContact CD1-CE1 4.48Å; F183-Y222 AromaticContact CD1-CE2 3.75Å; F183-Y222 HydrophobicContact CD1-CE2 3.75Å; F183-Y222 AromaticContact CD1-CG 3.66Å; F183-Y222 HydrophobicContact CD1-CG 3.66Å; F183-Y222 HydrophobicContact CE1-CD1 4.08Å; F183-Y222 AromaticContact CE1-CD2 3.98Å; F183-Y222 HydrophobicContact CE1-CD2 3.98Å; F183-Y222 AromaticContact CE1-CG 3.71Å; F183-Y222 HydrophobicContact CE1-CG 3.71Å; F183-Y222 AromaticContact CG-CD2 3.99Å; F183-Y222 HydrophobicContact CG-CD2 3.99Å; F183-Y222 HydrophobicContact CG-CE2 4.44Å |
| 184 | S | 64.9 | Low | 66.5 | Low | 48 Ų | 48 | 74.8 Ų | 74.8 | 34% | 0.336 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.3 | -32.2 | 173.6 | 57.4 | 0 | 0 | 0 | 0 | 113 | E180 K181 R188 | E180-S184 VanDerWaalsContact O-CB 3.28Å; E180-S184 WeakPolarHBondContact O-CB 3.48Å; E180-S184 PolarHBondContact O-N 3.14Å; E180-S184 PolarHBondContact O-OG 3.42Å; K181-S184 WeakPolarHBondContact CA-OG 3.28Å; K181-S184 PolarHBondContact O-OG 2.69Å; S184-R188 WeakPolarHBondContact O-CG 3.46Å; S184-R188 PolarHBondContact O-N 3.37Å |
| 185 | R | 66.5 | Low | 66.5 | Low | 180 Ų | 180 | 77 Ų | 77 | 68% | 0.679 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -70.3 | -41.6 | 169.7 | -72.9 | 176.2 | -174.5 | 178.6 | 1.8 | 111.8 | K181 G182 F183 I187 R188 F189 | K181-R185 WeakPolarHBondContact O-CG 3.39Å; K181-R185 PolarHBondContact O-N 2.69Å; G182-R185 WeakPolarHBondContact O-CB 3.26Å; G182-R185 PolarHBondContact O-N 3.31Å; G182-R185 VanDerWaalsContact O-N 3.16Å; F183-R185 VanDerWaalsContact C-N 3.28Å; F183-R185 PolarHBondContact O-N 3.41Å; R185-I187 VanDerWaalsContact C-N 3.34Å; R185-I187 PolarHBondContact O-N 2.68Å; R185-R188 WeakPolarHBondContact O-CB 3.41Å; R185-R188 PolarHBondContact O-N 3.3Å; R185-R188 VanDerWaalsContact O-N 3.15Å; R185-F189 WeakPolarHBondContact O-CB 3.27Å; R185-F189 PolarHBondContact O-N 3.33Å |
| 186 | L | 65.1 | Low | 66.8 | Low | 78 Ų | 78 | 80.5 Ų | 80.5 | 41% | 0.408 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 178.1 | -168.1 | 138 | 0 | 0 | 0 | 111.5 | G182 F183 R188 F189 R190 M215 | G182-L186 PolarHBondContact O-N 3.2Å; F183-L186 WeakPolarHBondContact O-CB 3.24Å; F183-L186 PolarHBondContact O-N 2.88Å; F183-L186 VanDerWaalsContact O-N 3.1Å; L186-R188 PolarHBondContact O-N 2.95Å; L186-F189 CarbonylContact O-C 3.54Å; L186-F189 PolarHBondContact O-N 3.29Å; L186-R190 PolarHBondContact O-N 3.27Å; L186-M215 HydrophobicContact CD2-SD 4.49Å |
| 187 | I | 65.6 | Low | 66.8 | Low | 84 Ų | 84 | 81.5 Ų | 81.5 | 43% | 0.431 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 172.7 | -68.1 | 164.4 | 0 | 0 | 0 | 111.5 | F183 R185 F189 R190 G191 | F183-I187 HydrophobicContact CD1-CD1 3.61Å; F183-I187 HydrophobicContact CD1-CG1 4.35Å; F183-I187 HydrophobicContact CE1-CD1 3.47Å; F183-I187 VanDerWaalsContact CE1-CD1 3.47Å; F183-I187 HydrophobicContact CE1-CG1 4.16Å; F183-I187 HydrophobicContact CG-CD1 4.4Å; F183-I187 HydrophobicContact CZ-CD1 4.12Å; F183-I187 HydrophobicContact CZ-CG1 4.35Å; F183-I187 WeakPolarHBondContact O-CG1 3.44Å; F183-I187 PolarHBondContact O-N 3.17Å; R185-I187 VanDerWaalsContact C-N 3.34Å; R185-I187 PolarHBondContact O-N 2.68Å; I187-F189 VanDerWaalsContact C-N 3.32Å; I187-R190 WeakPolarHBondContact O-CB 3.45Å; I187-R190 PolarHBondContact O-N 3.4Å; I187-G191 PolarHBondContact O-N 3.32Å |
| 188 | R | 66.4 | Low | 66.8 | Low | 196 Ų | 196 | 83.7 Ų | 83.7 | 74% | 0.74 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.7 | -40.3 | 174.3 | -71.7 | 176 | -172.7 | -172.7 | 2.3 | 111.4 | S184 R185 L186 R190 G191 | S184-R188 WeakPolarHBondContact O-CG 3.46Å; S184-R188 PolarHBondContact O-N 3.37Å; R185-R188 WeakPolarHBondContact O-CB 3.41Å; R185-R188 PolarHBondContact O-N 3.3Å; R185-R188 VanDerWaalsContact O-N 3.15Å; L186-R188 PolarHBondContact O-N 2.95Å; R188-R190 VanDerWaalsContact C-N 3.34Å; R188-G191 PolarHBondContact O-N 3.29Å; R188-G191 VanDerWaalsContact O-N 3.16Å |
| 189 | F | 68 | Low | 67.1 | Low | 124 Ų | 124 | 87.2 Ų | 87.2 | 54% | 0.544 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68 | -34.6 | 178.5 | -145.3 | -101.1 | 0 | 0 | 0 | 111.7 | R185 L186 I187 G191 V192 L193 | R185-F189 WeakPolarHBondContact O-CB 3.27Å; R185-F189 PolarHBondContact O-N 3.33Å; L186-F189 CarbonylContact O-C 3.54Å; L186-F189 PolarHBondContact O-N 3.29Å; I187-F189 VanDerWaalsContact C-N 3.32Å; F189-G191 PolarHBondContact O-N 3.14Å; F189-V192 CarbonylContact O-C 3.57Å; F189-V192 WeakPolarHBondContact O-CA 3.46Å; F189-V192 WeakPolarHBondContact O-CB 3.22Å; F189-V192 PolarHBondContact O-N 3.37Å; F189-L193 HydrophobicContact CD1-CD1 3.4Å; F189-L193 HydrophobicContact CD1-CD2 4.33Å; F189-L193 HydrophobicContact CD1-CG 3.56Å; F189-L193 HydrophobicContact CE1-CD1 3.7Å; F189-L193 HydrophobicContact CE1-CD2 3.94Å; F189-L193 HydrophobicContact CE1-CG 3.69Å; F189-L193 PolarHBondContact O-N 3.41Å |
| 190 | R | 63.9 | Low | 67.5 | Low | 99 Ų | 99 | 88.4 Ų | 88.4 | 37% | 0.374 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -55.2 | -39.2 | 169 | 175 | -177.1 | 171.3 | 72.1 | 4.9 | 111.8 | L186 I187 R188 V192 L193 A194 E211 | L186-R190 PolarHBondContact O-N 3.27Å; I187-R190 WeakPolarHBondContact O-CB 3.45Å; I187-R190 PolarHBondContact O-N 3.4Å; R188-R190 VanDerWaalsContact C-N 3.34Å; R190-V192 PolarHBondContact O-N 2.82Å; R190-L193 PolarHBondContact O-N 3.28Å; R190-A194 WeakPolarHBondContact O-CB 3.41Å; R190-A194 PolarHBondContact O-N 3.01Å; R190-E211 IonicContact CZ-OE1 3.93Å; R190-E211 IonicContact NH1-OE1 2.6Å; R190-E211 PolarHBondContact NH1-OE1 2.79Å |
| 191 | G | 67.5 | Low | 67.6 | Low | 56 Ų | 56 | 85.3 Ų | 85.3 | 58% | 0.577 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -59.7 | -28.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I187 R188 F189 P195 | I187-G191 PolarHBondContact O-N 3.32Å; R188-G191 PolarHBondContact O-N 3.29Å; R188-G191 VanDerWaalsContact O-N 3.16Å; F189-G191 PolarHBondContact O-N 3.14Å; G191-P195 WeakPolarHBondContact O-CD 3.38Å |
| 192 | V | 67.4 | Low | 67.5 | Low | 102 Ų | 102 | 84.6 Ų | 84.6 | 62% | 0.618 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -91.9 | -38.3 | 178.2 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | F189 R190 P195 | F189-V192 CarbonylContact O-C 3.57Å; F189-V192 WeakPolarHBondContact O-CA 3.46Å; F189-V192 WeakPolarHBondContact O-CB 3.22Å; F189-V192 PolarHBondContact O-N 3.37Å; R190-V192 PolarHBondContact O-N 2.82Å; V192-P195 WeakPolarHBondContact O-CD 3.3Å |
| 193 | L | 64.6 | Low | 67.7 | Low | 56 Ų | 56 | 89.9 Ų | 89.9 | 29% | 0.293 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -78.7 | -34.7 | -178.4 | -75.8 | -178.1 | 0 | 0 | 0 | 113.4 | F189 R190 L196 M197 | F189-L193 HydrophobicContact CD1-CD1 3.4Å; F189-L193 HydrophobicContact CD1-CD2 4.33Å; F189-L193 HydrophobicContact CD1-CG 3.56Å; F189-L193 HydrophobicContact CE1-CD1 3.7Å; F189-L193 HydrophobicContact CE1-CD2 3.94Å; F189-L193 HydrophobicContact CE1-CG 3.69Å; F189-L193 PolarHBondContact O-N 3.41Å; R190-L193 PolarHBondContact O-N 3.28Å; L193-L196 CarbonylContact O-C 3.14Å; L193-L196 WeakPolarHBondContact O-CA 3.2Å; L193-L196 WeakPolarHBondContact O-CB 3.23Å; L193-L196 PolarHBondContact O-N 3.11Å; L193-M197 WeakPolarHBondContact O-CG 3.36Å; L193-M197 PolarHBondContact O-N 2.96Å |
| 194 | A | 67.6 | Low | 67.5 | Low | 20 Ų | 20 | 92.3 Ų | 92.3 | 17% | 0.165 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -58.8 | -41 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R190 L196 K198 | R190-A194 WeakPolarHBondContact O-CB 3.41Å; R190-A194 PolarHBondContact O-N 3.01Å; A194-L196 VanDerWaalsContact C-N 3.34Å; A194-K198 WeakPolarHBondContact O-CB 3.34Å; A194-K198 WeakPolarHBondContact O-CG 3.48Å; A194-K198 PolarHBondContact O-N 2.73Å |
| 195 | P | 70.5 | Confident | 67.5 | Low | 79 Ų | 79 | 92.9 Ų | 92.9 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 172 | -21.3 | 32.4 | 0 | 0 | 0 | 112.9 | G191 V192 Q199 | G191-P195 WeakPolarHBondContact O-CD 3.38Å; V192-P195 WeakPolarHBondContact O-CD 3.3Å; P195-Q199 WeakPolarHBondContact O-CB 3.45Å; P195-Q199 PolarHBondContact O-N 3.22Å; P195-Q199 VanDerWaalsContact O-N 3.1Å |
| 196 | L | 70.9 | Confident | 67.1 | Low | 91 Ų | 91 | 85 Ų | 85 | 48% | 0.476 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.8 | -45.7 | -179.2 | -170.2 | 125.1 | 0 | 0 | 0 | 111.1 | L193 A194 K198 Q199 F200 | L193-L196 CarbonylContact O-C 3.14Å; L193-L196 WeakPolarHBondContact O-CA 3.2Å; L193-L196 WeakPolarHBondContact O-CB 3.23Å; L193-L196 PolarHBondContact O-N 3.11Å; A194-L196 VanDerWaalsContact C-N 3.34Å; L196-K198 PolarHBondContact O-N 3.18Å; L196-Q199 PolarHBondContact O-N 3.48Å; L196-F200 HydrophobicContact CG-CD2 4.01Å; L196-F200 HydrophobicContact CG-CE2 4.33Å; L196-F200 WeakPolarHBondContact O-CD2 3.38Å; L196-F200 PolarHBondContact O-N 3.03Å |
| 197 | M | 64.9 | Low | 66.8 | Low | 29 Ų | 29 | 83.9 Ų | 83.9 | 14% | 0.143 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -65.2 | -36.4 | 175.9 | -70.5 | -70.4 | -90 | 0 | 0 | 112 | N104 L193 Q199 G201 I206 | N104-M197 VanDerWaalsContact OD1-CE 3.27Å; N104-M197 WeakPolarHBondContact OD1-CE 3.02Å; L193-M197 WeakPolarHBondContact O-CG 3.36Å; L193-M197 PolarHBondContact O-N 2.96Å; M197-Q199 VanDerWaalsContact C-N 3.32Å; M197-Q199 PolarHBondContact O-N 2.72Å; M197-G201 WeakPolarHBondContact O-CA 3.45Å; M197-G201 PolarHBondContact O-N 3.18Å; M197-I206 HydrophobicContact CE-CD1 3.66Å; M197-I206 HydrophobicContact CE-CG2 4.45Å; M197-I206 HydrophobicContact SD-CD1 4.37Å |
| 198 | K | 69.9 | Low | 66.6 | Low | 144 Ų | 144 | 85.3 Ų | 85.3 | 63% | 0.626 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -66.8 | -33.8 | 172.9 | -77.3 | -179.1 | 177.1 | -173.4 | 0 | 113.2 | A194 L196 | A194-K198 WeakPolarHBondContact O-CB 3.34Å; A194-K198 WeakPolarHBondContact O-CG 3.48Å; A194-K198 PolarHBondContact O-N 2.73Å; L196-K198 PolarHBondContact O-N 3.18Å |
| 199 | Q | 74.1 | Confident | 66.3 | Low | 145 Ų | 145 | 82.3 Ų | 82.3 | 68% | 0.678 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -75.6 | -40.1 | 179.9 | -177.5 | 173.3 | -6.6 | 0 | 0 | 112.3 | P195 L196 M197 | P195-Q199 WeakPolarHBondContact O-CB 3.45Å; P195-Q199 PolarHBondContact O-N 3.22Å; P195-Q199 VanDerWaalsContact O-N 3.1Å; L196-Q199 PolarHBondContact O-N 3.48Å; M197-Q199 VanDerWaalsContact C-N 3.32Å; M197-Q199 PolarHBondContact O-N 2.72Å |
| 200 | F | 73.8 | Confident | 65.8 | Low | 83 Ų | 83 | 80 Ų | 80 | 36% | 0.364 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -105.6 | -18.9 | -174.3 | -68.8 | -79 | 0 | 0 | 0 | 114 | L196 M203 F204 | L196-F200 HydrophobicContact CG-CD2 4.01Å; L196-F200 HydrophobicContact CG-CE2 4.33Å; L196-F200 WeakPolarHBondContact O-CD2 3.38Å; L196-F200 PolarHBondContact O-N 3.03Å; F200-M203 WeakPolarHBondContact O-CA 3.49Å; F200-M203 WeakPolarHBondContact O-CB 3.36Å; F200-M203 PolarHBondContact O-N 3.39Å; F200-F204 HydrophobicContact CB-CD2 4.23Å; F200-F204 HydrophobicContact CB-CE2 4.08Å; F200-F204 VanDerWaalsContact O-CD2 3.23Å; F200-F204 WeakPolarHBondContact O-CD2 3.36Å; F200-F204 PolarHBondContact O-N 2.88Å |
| 201 | G | 66.3 | Low | 65.5 | Low | 2 Ų | 2 | 76.9 Ų | 76.9 | 2% | 0.021 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -52.8 | -46.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | M197 M203 F204 G205 I206 | M197-G201 WeakPolarHBondContact O-CA 3.45Å; M197-G201 PolarHBondContact O-N 3.18Å; G201-M203 PolarHBondContact O-N 3.2Å; G201-M203 VanDerWaalsContact O-N 3.17Å; G201-F204 CarbonylContact O-C 3.51Å; G201-F204 PolarHBondContact O-N 3.08Å; G201-G205 PolarHBondContact O-N 3.5Å; G201-G205 VanDerWaalsContact O-N 3.11Å; G201-I206 CarbonylContact C-O 3.54Å; G201-I206 PolarHBondContact O-N 3.06Å |
| 202 | P | 68 | Low | 65.2 | Low | 106 Ų | 106 | 77 Ų | 77 | 69% | 0.688 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -59.7 | -26.7 | 174.6 | -24.7 | 34.2 | 0 | 0 | 0 | 114 | F204 | P202-F204 VanDerWaalsContact C-N 3.34Š|
| 203 | M | 69 | Low | 64.9 | Low | 148 Ų | 148 | 74.4 Ų | 74.4 | 73% | 0.729 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -74.4 | -26.1 | 176.9 | -166.4 | 177.6 | -178.1 | 0 | 0 | 112.2 | F200 G201 | F200-M203 WeakPolarHBondContact O-CA 3.49Å; F200-M203 WeakPolarHBondContact O-CB 3.36Å; F200-M203 PolarHBondContact O-N 3.39Å; G201-M203 PolarHBondContact O-N 3.2Å; G201-M203 VanDerWaalsContact O-N 3.17Å |
| 204 | F | 63.3 | Low | 64.5 | Low | 69 Ų | 69 | 72.3 Ų | 72.3 | 30% | 0.303 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 8.5 | -177.9 | -65.1 | -72.9 | 0 | 0 | 0 | 113.5 | C107 P111 F200 G201 P202 I206 | C107-F204 VanDerWaalsContact SG-CD2 3.55Å; P111-F204 HydrophobicContact CB-CZ 4.2Å; P111-F204 HydrophobicContact CG-CE1 3.91Å; P111-F204 HydrophobicContact CG-CE2 4.27Å; P111-F204 HydrophobicContact CG-CZ 3.54Å; F200-F204 HydrophobicContact CB-CD2 4.23Å; F200-F204 HydrophobicContact CB-CE2 4.08Å; F200-F204 VanDerWaalsContact O-CD2 3.23Å; F200-F204 WeakPolarHBondContact O-CD2 3.36Å; F200-F204 PolarHBondContact O-N 2.88Å; G201-F204 CarbonylContact O-C 3.51Å; G201-F204 PolarHBondContact O-N 3.08Å; P202-F204 VanDerWaalsContact C-N 3.34Å; F204-I206 HydrophobicContact CB-CD1 4.47Å; F204-I206 HydrophobicContact CB-CG1 4.25Å; F204-I206 PolarHBondContact O-N 3.43Å |
| 205 | G | 63.5 | Low | 64.2 | Low | 59 Ų | 59 | 72.4 Ų | 72.4 | 61% | 0.608 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 11.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G201 S207 | G201-G205 PolarHBondContact O-N 3.5Å; G201-G205 VanDerWaalsContact O-N 3.11Å; G205-S207 PolarHBondContact O-N 2.96Å |
| 206 | I | 58.3 | Low | 64 | Low | 15 Ų | 15 | 76.4 Ų | 76.4 | 8% | 0.077 | 41% | 0.414 | C | S | . | . | trans | -77.8 | 110.1 | 176.1 | -54.7 | -176.5 | 0 | 0 | 0 | 107.7 | L103 C107 M197 G201 F204 | L103-I206 HydrophobicContact CD2-CG1 3.89Å; L103-I206 HydrophobicContact CG-CD1 4.38Å; L103-I206 HydrophobicContact CG-CG1 4.02Å; C107-I206 HydrophobicContact CB-CD1 3.65Å; C107-I206 WeakPolarHBondContact SG-CD1 3.48Å; M197-I206 HydrophobicContact CE-CD1 3.66Å; M197-I206 HydrophobicContact CE-CG2 4.45Å; M197-I206 HydrophobicContact SD-CD1 4.37Å; G201-I206 CarbonylContact C-O 3.54Å; G201-I206 PolarHBondContact O-N 3.06Å; F204-I206 HydrophobicContact CB-CD1 4.47Å; F204-I206 HydrophobicContact CB-CG1 4.25Å; F204-I206 PolarHBondContact O-N 3.43Å | ||
| 207 | S | 58.9 | Low | 63.4 | Low | 55 Ų | 55 | 77 Ų | 77 | 39% | 0.385 | 41% | 0.413 | S | S | . | . | trans | -85.1 | 147.8 | 171.1 | 74.1 | 0 | 0 | 0 | 0 | 110.3 | G205 N209 E210 | G205-S207 PolarHBondContact O-N 2.96Å; S207-N209 PolarHBondContact O-N 2.91Å; S207-E210 PolarHBondContact O-N 3.19Å; S207-E210 VanDerWaalsContact O-N 3.16Å | ||
| 208 | D | 61.6 | Low | 63.1 | Low | 113 Ų | 113 | 78.2 Ų | 78.2 | 60% | 0.604 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -52.7 | -23.5 | 176.7 | -73.7 | -28.3 | 0 | 0 | 0 | 113.2 | A212 | D208-A212 PolarHBondContact O-N 2.95Å |
| 209 | N | 60 | Low | 62.8 | Low | 134 Ų | 134 | 76.3 Ų | 76.3 | 72% | 0.717 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -73 | -34.4 | -177.6 | -76.6 | -17.2 | 0 | 0 | 0 | 113.8 | S207 A213 | S207-N209 PolarHBondContact O-N 2.91Å; N209-A213 PolarHBondContact O-N 3.38Å |
| 210 | E | 57 | Low | 62.3 | Low | 76 Ų | 76 | 71.3 Ų | 71.3 | 36% | 0.355 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -75.5 | -39 | -177.5 | -69.9 | -175.8 | 162.6 | 0 | 0 | 111.4 | L103 S207 A212 A213 T214 | L103-E210 WeakPolarHBondContact CD2-OE2 3.44Å; S207-E210 PolarHBondContact O-N 3.19Å; S207-E210 VanDerWaalsContact O-N 3.16Å; E210-A212 VanDerWaalsContact C-N 3.29Å; E210-A212 PolarHBondContact O-N 3.1Å; E210-A213 PolarHBondContact O-N 3.13Å; E210-A213 VanDerWaalsContact O-N 3.17Å; E210-T214 PolarHBondContact O-N 2.83Å; E210-T214 PolarHBondContact O-OG1 2.78Å |
| 211 | E | 58.7 | Low | 61.8 | Low | 33 Ų | 33 | 71.6 Ų | 71.6 | 15% | 0.154 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 173.7 | -167.3 | -167.7 | 142.6 | 0 | 0 | 111.1 | R190 A213 M215 | R190-E211 IonicContact CZ-OE1 3.93Å; R190-E211 IonicContact NH1-OE1 2.6Å; R190-E211 PolarHBondContact NH1-OE1 2.79Å; E211-A213 VanDerWaalsContact C-N 3.32Å; E211-A213 PolarHBondContact O-N 3.4Å; E211-M215 WeakPolarHBondContact O-CB 3.32Å; E211-M215 VanDerWaalsContact O-CG 3.28Å; E211-M215 WeakPolarHBondContact O-CG 3.45Å; E211-M215 PolarHBondContact O-N 2.84Å |
| 212 | A | 61.3 | Low | 61.8 | Low | 58 Ų | 58 | 74 Ų | 74 | 48% | 0.479 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64 | -35.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | D208 E210 K216 | D208-A212 PolarHBondContact O-N 2.95Å; E210-A212 VanDerWaalsContact C-N 3.29Å; E210-A212 PolarHBondContact O-N 3.1Å; A212-K216 VanDerWaalsContact O-CB 3.26Å; A212-K216 WeakPolarHBondContact O-CB 3.2Å; A212-K216 PolarHBondContact O-N 3.21Å |
| 213 | A | 59.9 | Low | 61.9 | Low | 47 Ų | 47 | 72 Ų | 72 | 39% | 0.388 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.4 | -46.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N209 E210 E211 K216 K217 | N209-A213 PolarHBondContact O-N 3.38Å; E210-A213 PolarHBondContact O-N 3.13Å; E210-A213 VanDerWaalsContact O-N 3.17Å; E211-A213 VanDerWaalsContact C-N 3.32Å; E211-A213 PolarHBondContact O-N 3.4Å; A213-K216 PolarHBondContact O-N 3.2Å; A213-K217 PolarHBondContact O-N 2.92Å |
| 214 | T | 57.5 | Low | 61.8 | Low | 13 Ų | 13 | 69.1 Ų | 69.1 | 8% | 0.08 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 175.9 | -37 | 0 | 0 | 0 | 0 | 110.6 | S100 E210 K216 K217 I218 | S100-T214 WeakPolarHBondContact CB-OG1 3.25Å; S100-T214 PolarHBondContact OG-OG1 2.89Å; E210-T214 PolarHBondContact O-N 2.83Å; E210-T214 PolarHBondContact O-OG1 2.78Å; T214-K216 VanDerWaalsContact C-N 3.33Å; T214-K216 PolarHBondContact O-N 2.83Å; T214-K217 WeakPolarHBondContact O-CB 3.41Å; T214-K217 PolarHBondContact O-N 3.21Å; T214-K217 VanDerWaalsContact O-N 3.14Å; T214-I218 HydrophobicContact CG2-CD1 4.39Å; T214-I218 WeakPolarHBondContact O-CG1 3.45Å; T214-I218 PolarHBondContact O-N 3.49Å; T214-I218 VanDerWaalsContact O-N 3.09Å |
| 215 | M | 61.8 | Low | 62 | Low | 22 Ų | 22 | 66.7 Ų | 66.7 | 11% | 0.108 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 179 | -75.6 | -60.2 | -54.9 | 0 | 0 | 111.7 | L186 E211 K217 I218 E219 | L186-M215 HydrophobicContact CD2-SD 4.49Å; E211-M215 WeakPolarHBondContact O-CB 3.32Å; E211-M215 VanDerWaalsContact O-CG 3.28Å; E211-M215 WeakPolarHBondContact O-CG 3.45Å; E211-M215 PolarHBondContact O-N 2.84Å; M215-K217 VanDerWaalsContact C-N 3.27Å; M215-K217 PolarHBondContact O-N 2.83Å; M215-I218 PolarHBondContact O-N 2.85Å; M215-E219 HydrophobicContact CE-CG 4.47Å; M215-E219 VanDerWaalsContact O-CB 3.24Å; M215-E219 WeakPolarHBondContact O-CB 3.42Å; M215-E219 VanDerWaalsContact O-CG 3.28Å; M215-E219 WeakPolarHBondContact O-CG 3.5Å; M215-E219 PolarHBondContact O-N 2.79Å |
| 216 | K | 64.9 | Low | 62.5 | Low | 162 Ų | 162 | 68 Ų | 68 | 70% | 0.704 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.5 | -34 | 176.9 | -169.5 | 178 | -178.9 | -177.3 | 0 | 112.6 | A212 A213 T214 G220 | A212-K216 VanDerWaalsContact O-CB 3.26Å; A212-K216 WeakPolarHBondContact O-CB 3.2Å; A212-K216 PolarHBondContact O-N 3.21Å; A213-K216 PolarHBondContact O-N 3.2Å; T214-K216 VanDerWaalsContact C-N 3.33Å; T214-K216 PolarHBondContact O-N 2.83Å; K216-G220 PolarHBondContact O-N 2.93Å |
| 217 | K | 59.9 | Low | 63.3 | Low | 105 Ų | 105 | 71.1 Ų | 71.1 | 46% | 0.457 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.4 | -47.4 | 174.6 | -72.3 | 178.4 | -179.2 | 172.2 | 0 | 111.6 | E98 A213 T214 M215 G220 I221 | E98-K217 IonicContact OE1-NZ 2.74Å; E98-K217 PolarHBondContact OE1-NZ 2.86Å; E98-K217 IonicContact OE2-NZ 3.44Å; E98-K217 PolarHBondContact OE2-NZ 2.84Å; A213-K217 PolarHBondContact O-N 2.92Å; T214-K217 WeakPolarHBondContact O-CB 3.41Å; T214-K217 PolarHBondContact O-N 3.21Å; T214-K217 VanDerWaalsContact O-N 3.14Å; M215-K217 VanDerWaalsContact C-N 3.27Å; M215-K217 PolarHBondContact O-N 2.83Å; K217-G220 PolarHBondContact O-N 3.48Å; K217-G220 VanDerWaalsContact O-N 3.11Å; K217-I221 PolarHBondContact O-N 3.3Å |
| 218 | I | 58.6 | Low | 64 | Low | 54 Ų | 54 | 69.9 Ų | 69.9 | 28% | 0.277 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.3 | -42.2 | 178.7 | -51.7 | 171.3 | 0 | 0 | 0 | 110.6 | F183 T214 M215 G220 I221 Y222 | F183-I218 HydrophobicContact CD2-CG2 3.66Å; F183-I218 HydrophobicContact CE2-CB 4.11Å; F183-I218 HydrophobicContact CE2-CG2 3.25Å; F183-I218 HydrophobicContact CZ-CG2 4.25Å; T214-I218 HydrophobicContact CG2-CD1 4.39Å; T214-I218 WeakPolarHBondContact O-CG1 3.45Å; T214-I218 PolarHBondContact O-N 3.49Å; T214-I218 VanDerWaalsContact O-N 3.09Å; M215-I218 PolarHBondContact O-N 2.85Å; I218-G220 PolarHBondContact O-N 3.07Å; I218-I221 PolarHBondContact O-N 3.28Å; I218-Y222 PolarHBondContact O-N 3.23Å |
| 219 | E | 63.2 | Low | 64.8 | Low | 104 Ų | 104 | 65.9 Ų | 65.9 | 49% | 0.486 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.2 | -24.8 | 173.1 | -74.4 | 177.7 | -176 | 0 | 0 | 112.6 | F183 M215 P223 | F183-E219 HydrophobicContact CZ-CG 4.05Å; M215-E219 HydrophobicContact CE-CG 4.47Å; M215-E219 VanDerWaalsContact O-CB 3.24Å; M215-E219 WeakPolarHBondContact O-CB 3.42Å; M215-E219 VanDerWaalsContact O-CG 3.28Å; M215-E219 WeakPolarHBondContact O-CG 3.5Å; M215-E219 PolarHBondContact O-N 2.79Å; E219-P223 WeakPolarHBondContact O-CD 3.31Å |
| 220 | G | 64 | Low | 65.9 | Low | 39 Ų | 39 | 66.4 Ų | 66.4 | 40% | 0.402 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -75.2 | -32.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K216 K217 I218 P223 | K216-G220 PolarHBondContact O-N 2.93Å; K217-G220 PolarHBondContact O-N 3.48Å; K217-G220 VanDerWaalsContact O-N 3.11Å; I218-G220 PolarHBondContact O-N 3.07Å; G220-P223 WeakPolarHBondContact O-CD 3.27Å; G220-P223 WeakPolarHBondContact O-CG 3.5Å |
| 221 | I | 63 | Low | 67.2 | Low | 90 Ų | 90 | 64.5 Ų | 64.5 | 46% | 0.462 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -76.1 | -37.6 | 178.8 | -66.4 | 169 | 0 | 0 | 0 | 111.1 | K217 I218 V224 I225 | K217-I221 PolarHBondContact O-N 3.3Å; I218-I221 PolarHBondContact O-N 3.28Å; I221-V224 WeakPolarHBondContact O-CB 3.38Å; I221-V224 PolarHBondContact O-N 3.32Å; I221-I225 HydrophobicContact CG2-CD1 3.53Å; I221-I225 HydrophobicContact CG2-CG1 4.03Å; I221-I225 WeakPolarHBondContact O-CG1 3.42Å; I221-I225 PolarHBondContact O-N 2.91Å |
| 222 | Y | 65.3 | Low | 68.4 | Low | 51 Ų | 51 | 63.1 Ų | 63.1 | 20% | 0.2 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -53.7 | -50.1 | -178.4 | -174.8 | -108.9 | 0 | 0 | 0 | 115.3 | E180 F183 I218 V224 I225 Q226 | E180-Y222 HydrophobicContact CB-CE2 4.25Å; E180-Y222 HydrophobicContact CG-CE2 4.1Å; E180-Y222 PolarHBondContact OE1-OH 3.45Å; F183-Y222 HydrophobicContact CB-CD2 4.24Å; F183-Y222 HydrophobicContact CB-CE2 4.41Å; F183-Y222 HydrophobicContact CD1-CD1 4.22Å; F183-Y222 AromaticContact CD1-CD2 3.41Å; F183-Y222 HydrophobicContact CD1-CD2 3.41Å; F183-Y222 VanDerWaalsContact CD1-CD2 3.41Å; F183-Y222 HydrophobicContact CD1-CE1 4.48Å; F183-Y222 AromaticContact CD1-CE2 3.75Å; F183-Y222 HydrophobicContact CD1-CE2 3.75Å; F183-Y222 AromaticContact CD1-CG 3.66Å; F183-Y222 HydrophobicContact CD1-CG 3.66Å; F183-Y222 HydrophobicContact CE1-CD1 4.08Å; F183-Y222 AromaticContact CE1-CD2 3.98Å; F183-Y222 HydrophobicContact CE1-CD2 3.98Å; F183-Y222 AromaticContact CE1-CG 3.71Å; F183-Y222 HydrophobicContact CE1-CG 3.71Å; F183-Y222 AromaticContact CG-CD2 3.99Å; F183-Y222 HydrophobicContact CG-CD2 3.99Å; F183-Y222 HydrophobicContact CG-CE2 4.44Å; I218-Y222 PolarHBondContact O-N 3.23Å; Y222-V224 VanDerWaalsContact C-N 3.28Å; Y222-V224 PolarHBondContact O-N 3.49Å; Y222-I225 PolarHBondContact O-N 3.24Å; Y222-Q226 HydrophobicContact CD1-CG 4.31Å; Y222-Q226 HydrophobicContact CE1-CG 3.94Å; Y222-Q226 HydrophobicContact CE2-CG 4.16Å; Y222-Q226 VanDerWaalsContact CZ-CD 3.48Å; Y222-Q226 VanDerWaalsContact CZ-NE2 3.28Å; Y222-Q226 WeakPolarHBondContact O-CG 3.47Å; Y222-Q226 PolarHBondContact O-N 2.81Å; Y222-Q226 PolarHBondContact OH-NE2 3.14Å |
| 223 | P | 70.2 | Confident | 69.6 | Low | 65 Ų | 65 | 63.8 Ų | 63.8 | 42% | 0.422 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.7 | -32.4 | 179.2 | 25.4 | -35.2 | 0 | 0 | 0 | 112.4 | E219 G220 Q226 E227 | E219-P223 WeakPolarHBondContact O-CD 3.31Å; G220-P223 WeakPolarHBondContact O-CD 3.27Å; G220-P223 WeakPolarHBondContact O-CG 3.5Å; P223-Q226 PolarHBondContact O-N 3.37Å; P223-E227 WeakPolarHBondContact O-CB 3.5Å; P223-E227 PolarHBondContact O-N 3.37Å |
| 224 | V | 67.4 | Low | 71.2 | Confident | 87 Ų | 87 | 64.4 Ų | 64.4 | 53% | 0.527 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.8 | -48.3 | 175.4 | 179.7 | 0 | 0 | 0 | 0 | 109.7 | I221 Y222 Q226 E227 I228 | I221-V224 WeakPolarHBondContact O-CB 3.38Å; I221-V224 PolarHBondContact O-N 3.32Å; Y222-V224 VanDerWaalsContact C-N 3.28Å; Y222-V224 PolarHBondContact O-N 3.49Å; V224-Q226 VanDerWaalsContact C-N 3.34Å; V224-Q226 PolarHBondContact O-N 2.87Å; V224-E227 PolarHBondContact O-N 2.99Å; V224-I228 HydrophobicContact CG1-CD1 3.78Å; V224-I228 WeakPolarHBondContact O-CD1 3.46Å; V224-I228 VanDerWaalsContact O-CG1 3.23Å; V224-I228 WeakPolarHBondContact O-CG1 3.29Å; V224-I228 PolarHBondContact O-N 3.15Å |
| 225 | I | 67.8 | Low | 72.9 | Confident | 19 Ų | 19 | 67 Ų | 67 | 10% | 0.097 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 177.1 | -67.6 | 176.8 | 0 | 0 | 0 | 111.8 | P176 I179 I221 Y222 I228 N229 | P176-I225 HydrophobicContact CB-CG2 3.59Å; P176-I225 HydrophobicContact CG-CG2 4.32Å; I179-I225 HydrophobicContact CB-CD1 4.26Å; I179-I225 HydrophobicContact CD1-CD1 3.64Å; I179-I225 HydrophobicContact CG2-CD1 3.68Å; I221-I225 HydrophobicContact CG2-CD1 3.53Å; I221-I225 HydrophobicContact CG2-CG1 4.03Å; I221-I225 WeakPolarHBondContact O-CG1 3.42Å; I221-I225 PolarHBondContact O-N 2.91Å; Y222-I225 PolarHBondContact O-N 3.24Å; I225-I228 PolarHBondContact O-N 3.04Å; I225-N229 WeakPolarHBondContact O-CB 3.25Å; I225-N229 PolarHBondContact O-N 2.75Å |
| 226 | Q | 72.7 | Confident | 74.4 | Confident | 86 Ų | 86 | 68 Ų | 68 | 40% | 0.402 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 176.4 | -75.1 | -167.1 | -48.1 | 0 | 0 | 112.1 | Y222 P223 V224 N229 K230 | Y222-Q226 HydrophobicContact CD1-CG 4.31Å; Y222-Q226 HydrophobicContact CE1-CG 3.94Å; Y222-Q226 HydrophobicContact CE2-CG 4.16Å; Y222-Q226 VanDerWaalsContact CZ-CD 3.48Å; Y222-Q226 VanDerWaalsContact CZ-NE2 3.28Å; Y222-Q226 WeakPolarHBondContact O-CG 3.47Å; Y222-Q226 PolarHBondContact O-N 2.81Å; Y222-Q226 PolarHBondContact OH-NE2 3.14Å; P223-Q226 PolarHBondContact O-N 3.37Å; V224-Q226 VanDerWaalsContact C-N 3.34Å; V224-Q226 PolarHBondContact O-N 2.87Å; Q226-N229 PolarHBondContact O-N 2.93Å; Q226-K230 WeakPolarHBondContact O-CB 3.33Å; Q226-K230 PolarHBondContact O-N 3.05Å |
| 227 | E | 76 | Confident | 75.7 | Confident | 81 Ų | 81 | 63.1 Ų | 63.1 | 38% | 0.379 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 177.8 | -178 | 54.7 | -151.4 | 0 | 0 | 111.2 | P223 V224 N229 K230 Q231 | P223-E227 WeakPolarHBondContact O-CB 3.5Å; P223-E227 PolarHBondContact O-N 3.37Å; V224-E227 PolarHBondContact O-N 2.99Å; E227-N229 PolarHBondContact O-N 3.04Å; E227-K230 WeakPolarHBondContact O-CB 3.37Å; E227-K230 PolarHBondContact O-N 3.31Å; E227-Q231 WeakPolarHBondContact O-CG 3.39Å; E227-Q231 PolarHBondContact O-N 3.39Å; E227-Q231 PolarHBondContact OE1-NE2 2.96Å |
| 228 | I | 74 | Confident | 77.3 | Confident | 28 Ų | 28 | 58.1 Ų | 58.1 | 14% | 0.144 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.6 | -49.7 | 174.1 | -68.2 | 158.3 | 0 | 0 | 0 | 110.8 | L148 V224 I225 K230 Q231 F232 | L148-I228 HydrophobicContact CB-CD1 4.29Å; L148-I228 HydrophobicContact CD1-CB 4.3Å; L148-I228 HydrophobicContact CD1-CD1 3.39Å; L148-I228 HydrophobicContact CD1-CG1 3.77Å; L148-I228 HydrophobicContact CD1-CG2 3.54Å; L148-I228 HydrophobicContact CG-CD1 4.49Å; V224-I228 HydrophobicContact CG1-CD1 3.78Å; V224-I228 WeakPolarHBondContact O-CD1 3.46Å; V224-I228 VanDerWaalsContact O-CG1 3.23Å; V224-I228 WeakPolarHBondContact O-CG1 3.29Å; V224-I228 PolarHBondContact O-N 3.15Å; I225-I228 PolarHBondContact O-N 3.04Å; I228-K230 VanDerWaalsContact C-N 3.29Å; I228-K230 PolarHBondContact O-N 3.34Å; I228-Q231 PolarHBondContact O-N 3.34Å; I228-Q231 VanDerWaalsContact O-N 3.11Å; I228-F232 HydrophobicContact CG2-CD1 4.46Å; I228-F232 HydrophobicContact CG2-CD2 4.09Å; I228-F232 HydrophobicContact CG2-CE1 4Å; I228-F232 HydrophobicContact CG2-CE2 3.6Å; I228-F232 HydrophobicContact CG2-CG 4.47Å; I228-F232 HydrophobicContact CG2-CZ 3.51Å; I228-F232 WeakPolarHBondContact O-CG 3.49Å; I228-F232 PolarHBondContact O-N 3.31Å |
| 229 | N | 77.1 | Confident | 79 | Confident | 30 Ų | 30 | 55.6 Ų | 55.6 | 16% | 0.16 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 178.8 | -166.2 | 14.4 | 0 | 0 | 0 | 111.7 | P176 I225 Q226 E227 Q231 F232 K233 | P176-N229 HydrophobicContact CB-CB 3.62Å; P176-N229 HydrophobicContact CG-CB 4.17Å; I225-N229 WeakPolarHBondContact O-CB 3.25Å; I225-N229 PolarHBondContact O-N 2.75Å; Q226-N229 PolarHBondContact O-N 2.93Å; E227-N229 PolarHBondContact O-N 3.04Å; N229-Q231 VanDerWaalsContact C-N 3.33Å; N229-Q231 PolarHBondContact O-N 3.38Å; N229-F232 PolarHBondContact O-N 2.93Å; N229-K233 WeakPolarHBondContact O-CG 3.16Å; N229-K233 PolarHBondContact O-N 3.18Å; N229-K233 VanDerWaalsContact O-N 3.1Å |
| 230 | K | 84.1 | Confident | 80.5 | Confident | 145 Ų | 145 | 50.7 Ų | 50.7 | 63% | 0.63 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.7 | -38.7 | 176.5 | -177 | -175.8 | 174.7 | -168.6 | 0 | 111.9 | Q226 E227 I228 N234 | Q226-K230 WeakPolarHBondContact O-CB 3.33Å; Q226-K230 PolarHBondContact O-N 3.05Å; E227-K230 WeakPolarHBondContact O-CB 3.37Å; E227-K230 PolarHBondContact O-N 3.31Å; I228-K230 VanDerWaalsContact C-N 3.29Å; I228-K230 PolarHBondContact O-N 3.34Å; K230-N234 PolarHBondContact O-N 3.1Å |
| 231 | Q | 83.6 | Confident | 82.1 | Confident | 35 Ų | 35 | 48.8 Ų | 48.8 | 16% | 0.164 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.4 | -43.1 | 175.4 | -70.8 | -174.9 | 23.6 | 0 | 0 | 111.6 | E227 I228 N229 K233 N234 K237 T238 | E227-Q231 WeakPolarHBondContact O-CG 3.39Å; E227-Q231 PolarHBondContact O-N 3.39Å; E227-Q231 PolarHBondContact OE1-NE2 2.96Å; I228-Q231 PolarHBondContact O-N 3.34Å; I228-Q231 VanDerWaalsContact O-N 3.11Å; N229-Q231 VanDerWaalsContact C-N 3.33Å; N229-Q231 PolarHBondContact O-N 3.38Å; Q231-K233 VanDerWaalsContact C-N 3.28Å; Q231-K233 PolarHBondContact O-N 2.77Å; Q231-N234 WeakPolarHBondContact O-CB 3.39Å; Q231-N234 PolarHBondContact O-N 3.09Å; Q231-K237 HydrophobicContact CG-CD 4.26Å; Q231-T238 PolarHBondContact O-OG1 2.83Å; Q231-T238 VanDerWaalsContact O-OG1 3.07Å |
| 232 | F | 83.7 | Confident | 83.6 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 2% | 0.022 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.5 | -29.9 | -178.8 | -70.1 | -0.5 | 0 | 0 | 0 | 114 | W16 F18 F144 L148 L173 I228 N229 N234 T238 | W16-F232 HydrophobicContact CB-CE1 4.4Å; W16-F232 HydrophobicContact CD2-CE1 4.13Å; W16-F232 HydrophobicContact CG-CD1 4.36Å; W16-F232 AromaticContact CG-CE1 3.96Å; W16-F232 HydrophobicContact CG-CE1 3.96Å; F18-F232 HydrophobicContact CE2-CD1 4.25Å; F18-F232 HydrophobicContact CE2-CE1 4.12Å; F18-F232 HydrophobicContact CE2-CE2 4.41Å; F18-F232 HydrophobicContact CE2-CZ 4.23Å; F18-F232 HydrophobicContact CZ-CD1 4.49Å; F18-F232 HydrophobicContact CZ-CD2 4.38Å; F18-F232 AromaticContact CZ-CE1 4Å; F18-F232 HydrophobicContact CZ-CE1 4Å; F18-F232 AromaticContact CZ-CE2 3.84Å; F18-F232 HydrophobicContact CZ-CE2 3.84Å; F18-F232 AromaticContact CZ-CZ 3.68Å; F18-F232 HydrophobicContact CZ-CZ 3.68Å; F144-F232 AromaticContact CE1-CE2 3.5Å; F144-F232 HydrophobicContact CE1-CE2 3.5Å; F144-F232 AromaticContact CE1-CZ 3.66Å; F144-F232 HydrophobicContact CE1-CZ 3.66Å; F144-F232 AromaticContact CZ-CE2 3.54Å; F144-F232 HydrophobicContact CZ-CE2 3.54Å; F144-F232 AromaticContact CZ-CZ 3.42Å; F144-F232 HydrophobicContact CZ-CZ 3.42Å; F144-F232 VanDerWaalsContact CZ-CZ 3.42Å; L148-F232 HydrophobicContact CD1-CZ 4.28Å; L148-F232 HydrophobicContact CD2-CZ 4.43Å; L173-F232 HydrophobicContact CD2-CD2 4.09Å; L173-F232 HydrophobicContact CD2-CE2 4.19Å; I228-F232 HydrophobicContact CG2-CD1 4.46Å; I228-F232 HydrophobicContact CG2-CD2 4.09Å; I228-F232 HydrophobicContact CG2-CE1 4Å; I228-F232 HydrophobicContact CG2-CE2 3.6Å; I228-F232 HydrophobicContact CG2-CG 4.47Å; I228-F232 HydrophobicContact CG2-CZ 3.51Å; I228-F232 WeakPolarHBondContact O-CG 3.49Å; I228-F232 PolarHBondContact O-N 3.31Å; N229-F232 PolarHBondContact O-N 2.93Å; F232-N234 VanDerWaalsContact C-N 3.26Å; F232-T238 WeakPolarHBondContact CA-OG1 3.27Å; F232-T238 HydrophobicContact CB-CG2 4.38Å; F232-T238 HydrophobicContact CD1-CG2 4.18Å; F232-T238 HydrophobicContact CG-CG2 4.49Å |
| 233 | K | 87.6 | Confident | 85.1 | Confident | 72 Ų | 72 | 42.1 Ų | 42.1 | 31% | 0.313 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -5.4 | 172.7 | -69.2 | -179.2 | 165.8 | -147 | 0 | 114 | N229 Q231 P235 E265 | N229-K233 WeakPolarHBondContact O-CG 3.16Å; N229-K233 PolarHBondContact O-N 3.18Å; N229-K233 VanDerWaalsContact O-N 3.1Å; Q231-K233 VanDerWaalsContact C-N 3.28Å; Q231-K233 PolarHBondContact O-N 2.77Å; K233-P235 VanDerWaalsContact O-CD 3.25Å; K233-P235 WeakPolarHBondContact O-CD 3.25Å; K233-E265 HydrophobicContact CD-CB 4.41Å; K233-E265 WeakPolarHBondContact CE-OE2 3.42Å; K233-E265 HydrophobicContact CG-CB 4.23Å; K233-E265 VanDerWaalsContact NZ-CD 3.28Å; K233-E265 IonicContact NZ-OE1 3.47Å; K233-E265 PolarHBondContact NZ-OE1 3.23Å; K233-E265 IonicContact NZ-OE2 2.71Å; K233-E265 PolarHBondContact NZ-OE2 2.8Å |
| 234 | N | 92.1 | Very high | 86.4 | Confident | 60 Ų | 60 | 39 Ų | 39 | 32% | 0.321 | 20% | 0.201 | S | C | . | . | trans | -91.5 | 107.3 | -179.6 | -174.7 | -14 | 0 | 0 | 0 | 110.2 | K230 Q231 F232 A236 K237 T238 | K230-N234 PolarHBondContact O-N 3.1Å; Q231-N234 WeakPolarHBondContact O-CB 3.39Å; Q231-N234 PolarHBondContact O-N 3.09Å; F232-N234 VanDerWaalsContact C-N 3.26Å; N234-A236 PolarHBondContact O-N 3.3Å; N234-A236 WeakPolarHBondContact OD1-CB 3.44Å; N234-A236 PolarHBondContact OD1-N 3.05Å; N234-K237 HydrophobicContact CB-CB 4.26Å; N234-K237 PolarHBondContact O-N 2.81Å; N234-T238 PolarHBondContact O-N 3.09Å | ||
| 235 | P | 93.6 | Very high | 87.8 | Confident | 68 Ų | 68 | 35.8 Ų | 35.8 | 44% | 0.442 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18.9 | -178 | 26.3 | -36.1 | 0 | 0 | 0 | 113.5 | R11 K233 D267 | R11-P235 PolarHBondContact NH1-O 3.24Å; R11-P235 PolarHBondContact NH2-O 3.05Å; K233-P235 VanDerWaalsContact O-CD 3.25Å; K233-P235 WeakPolarHBondContact O-CD 3.25Å; P235-D267 HydrophobicContact CB-CB 3.82Å |
| 236 | A | 93.5 | Very high | 89.2 | Confident | 42 Ų | 42 | 34.9 Ų | 34.9 | 35% | 0.347 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -23.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S13 L14 N234 | S13-A236 CarbonylContact C-O 3.58Å; S13-A236 VanDerWaalsContact CB-O 3.24Å; S13-A236 WeakPolarHBondContact CB-O 3.47Å; S13-A236 VanDerWaalsContact O-O 3.09Å; S13-A236 PolarHBondContact OG-O 2.85Å; L14-A236 PolarHBondContact N-O 2.86Å; N234-A236 PolarHBondContact O-N 3.3Å; N234-A236 WeakPolarHBondContact OD1-CB 3.44Å; N234-A236 PolarHBondContact OD1-N 3.05Å |
| 237 | K | 92.5 | Very high | 90.3 | Very high | 60 Ų | 60 | 33.7 Ų | 33.7 | 26% | 0.261 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -32.5 | -175.3 | -71.2 | -171.4 | 164.8 | -144.3 | 0 | 113.7 | Q15 W16 Q231 N234 | Q15-K237 PolarHBondContact N-O 2.76Å; W16-K237 PolarHBondContact N-O 2.99Å; Q231-K237 HydrophobicContact CG-CD 4.26Å; N234-K237 HydrophobicContact CB-CB 4.26Å; N234-K237 PolarHBondContact O-N 2.81Å |
| 238 | T | 92.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 139 | -174.7 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | W16 F18 Q231 F232 N234 M266 D267 | W16-T238 HydrophobicContact CB-CG2 4.01Å; W16-T238 WeakPolarHBondContact CB-OG1 3.38Å; W16-T238 VanDerWaalsContact CD1-OG1 3.31Å; W16-T238 VanDerWaalsContact O-CA 3.26Å; W16-T238 WeakPolarHBondContact O-CA 3.26Å; F18-T238 HydrophobicContact CD2-CG2 3.9Å; F18-T238 HydrophobicContact CE2-CG2 3.74Å; Q231-T238 PolarHBondContact O-OG1 2.83Å; Q231-T238 VanDerWaalsContact O-OG1 3.07Å; F232-T238 WeakPolarHBondContact CA-OG1 3.27Å; F232-T238 HydrophobicContact CB-CG2 4.38Å; F232-T238 HydrophobicContact CD1-CG2 4.18Å; F232-T238 HydrophobicContact CG-CG2 4.49Å; N234-T238 PolarHBondContact O-N 3.09Å; T238-M266 HydrophobicContact CG2-CE 4.1Å; T238-D267 WeakPolarHBondContact O-CB 3.21Å |
| 239 | T | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 157.5 | 172.4 | -164.2 | 0 | 0 | 0 | 0 | 111 | L8 L14 W16 I17 F18 D267 | L8-T239 HydrophobicContact CD1-CG2 3.71Å; L8-T239 HydrophobicContact CG-CG2 4.35Å; L14-T239 HydrophobicContact CD1-CG2 3.91Å; L14-T239 HydrophobicContact CD2-CG2 3.91Å; W16-T239 PolarHBondContact O-N 2.98Å; W16-T239 VanDerWaalsContact O-N 3.11Å; I17-T239 WeakPolarHBondContact CA-O 3.38Å; I17-T239 HydrophobicContact CG1-CG2 4.17Å; I17-T239 HydrophobicContact CG2-CG2 4.32Å; F18-T239 PolarHBondContact N-O 2.81Å; T239-D267 CarbonylContact C-O 3.57Å; T239-D267 WeakPolarHBondContact CA-O 3.41Å; T239-D267 VanDerWaalsContact CB-OD2 3.28Å; T239-D267 WeakPolarHBondContact CB-OD2 3.47Å; T239-D267 PolarHBondContact OG1-OD2 3.43Å |
| 240 | F | 95.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125 | 177.7 | -162.9 | -70.3 | 0 | 0 | 0 | 110.4 | F18 T169 L173 L257 L261 M266 D267 T268 | F18-F240 HydrophobicContact CB-CB 4.47Å; F18-F240 HydrophobicContact CB-CD2 3.36Å; F18-F240 HydrophobicContact CB-CE2 3.73Å; F18-F240 HydrophobicContact CB-CG 4.04Å; F18-F240 HydrophobicContact CG-CD2 4.24Å; F18-F240 CarbonylContact O-C 3.58Å; F18-F240 WeakPolarHBondContact O-CA 3.25Å; T169-F240 HydrophobicContact CG2-CE2 4.07Å; T169-F240 HydrophobicContact CG2-CZ 4.45Å; L173-F240 HydrophobicContact CD1-CD2 4.31Å; L173-F240 HydrophobicContact CD1-CE2 4.11Å; F240-L257 HydrophobicContact CE1-CD2 3.75Å; F240-L257 HydrophobicContact CE1-CG 4.37Å; F240-L257 HydrophobicContact CZ-CD1 4.21Å; F240-L257 HydrophobicContact CZ-CD2 4.04Å; F240-L261 HydrophobicContact CB-CD1 3.95Å; F240-L261 HydrophobicContact CB-CD2 4.35Å; F240-L261 HydrophobicContact CD1-CD1 3.49Å; F240-L261 VanDerWaalsContact CD1-CD1 3.49Å; F240-L261 HydrophobicContact CD2-CD1 3.93Å; F240-L261 HydrophobicContact CD2-CD2 3.56Å; F240-L261 HydrophobicContact CD2-CG 4.41Å; F240-L261 HydrophobicContact CE1-CD1 3.93Å; F240-L261 HydrophobicContact CE2-CD1 4.31Å; F240-L261 HydrophobicContact CE2-CD2 3.95Å; F240-L261 HydrophobicContact CG-CD1 3.51Å; F240-L261 HydrophobicContact CG-CD2 3.95Å; F240-L261 HydrophobicContact CG-CG 4.4Å; F240-L261 HydrophobicContact CZ-CD1 4.3Å; F240-M266 HydrophobicContact CD2-CE 4.46Å; F240-D267 PolarHBondContact N-O 3.09Å; F240-T268 WeakPolarHBondContact O-CA 3.42Å; F240-T268 WeakPolarHBondContact O-CB 3.41Å; F240-T268 PolarHBondContact O-OG1 2.79Å |
| 241 | V | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 115.6 | 175.3 | -176.3 | 0 | 0 | 0 | 0 | 108.8 | L8 I17 F18 V19 G20 L34 N270 L272 | L8-V241 HydrophobicContact CD1-CG2 3.55Å; I17-V241 HydrophobicContact CG2-CG2 4.05Å; F18-V241 PolarHBondContact O-N 3.34Å; V19-V241 WeakPolarHBondContact CA-O 3.49Å; V19-V241 HydrophobicContact CG2-CB 4.35Å; G20-V241 PolarHBondContact N-O 3.2Å; G20-V241 VanDerWaalsContact N-O 3.1Å; L34-V241 HydrophobicContact CD2-CG2 4.24Å; V241-N270 HydrophobicContact CG1-CB 4.21Å; V241-N270 HydrophobicContact CG2-CB 4.19Å; V241-L272 HydrophobicContact CG1-CD1 3.92Å; V241-L272 HydrophobicContact CG1-CG 3.83Å |
| 242 | C | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 136.5 | 177 | -67.4 | 0 | 0 | 0 | 0 | 110.3 | G20 T254 N270 I271 L272 | G20-C242 CarbonylContact O-C 3.55Å; G20-C242 WeakPolarHBondContact O-CA 3.47Å; C242-T254 HydrophobicContact CB-CG2 4.1Å; C242-N270 PolarHBondContact N-O 2.89Å; C242-I271 HydrophobicContact CB-CG1 4.21Å; C242-I271 CarbonylContact O-C 3.53Å; C242-I271 WeakPolarHBondContact O-CA 3.03Å; C242-L272 PolarHBondContact O-N 2.84Å |
| 243 | V | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131.2 | 173.5 | -169.5 | 0 | 0 | 0 | 0 | 109.2 | V19 G20 G21 V25 K27 C30 L272 | V19-V243 HydrophobicContact CG1-CG2 3.55Å; G20-V243 PolarHBondContact O-N 2.82Å; G21-V243 WeakPolarHBondContact CA-O 3.48Å; V25-V243 HydrophobicContact CB-CG1 4.43Å; V25-V243 HydrophobicContact CG2-CB 4.04Å; V25-V243 HydrophobicContact CG2-CG1 3.81Å; K27-V243 HydrophobicContact CG-CB 4.39Å; C30-V243 HydrophobicContact CB-CG1 4.49Å; C30-V243 HydrophobicContact CB-CG2 4.08Å; V243-L272 WeakPolarHBondContact CA-O 3.44Å; V243-L272 HydrophobicContact CG1-CB 4.33Å; V243-L272 HydrophobicContact CG2-CB 4.32Å; V243-L272 HydrophobicContact CG2-CD1 4.22Å |
| 244 | C | 96.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 172.5 | -179.1 | 70.4 | 0 | 0 | 0 | 0 | 111.3 | S250 T254 L272 V273 N274 | C244-S250 WeakPolarHBondContact CB-OG 3.32Å; C244-T254 VanDerWaalsContact CB-OG1 3.27Å; C244-T254 WeakPolarHBondContact CB-OG1 3.34Å; C244-L272 PolarHBondContact N-O 3.23Å; C244-V273 CarbonylContact O-C 3.59Å; C244-V273 WeakPolarHBondContact O-CA 3.41Å; C244-N274 PolarHBondContact O-N 3.03Å |
| 245 | I | 97.1 | Very high | 94.4 | Very high | 19 Ų | 19 | 35.2 Ų | 35.2 | 10% | 0.097 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 157.4 | 167.9 | 59 | 178.8 | 0 | 0 | 0 | 108.9 | V25 E247 S250 Q275 | V25-I245 HydrophobicContact CB-CG2 4.01Å; V25-I245 HydrophobicContact CG1-CG1 4.25Å; V25-I245 HydrophobicContact CG1-CG2 4.14Å; I245-E247 HydrophobicContact CD1-CB 4.45Å; I245-E247 HydrophobicContact CD1-CG 4.11Å; I245-E247 WeakPolarHBondContact CD1-OE1 3.22Å; I245-E247 HydrophobicContact CG1-CB 4.26Å; I245-E247 HydrophobicContact CG1-CG 4.22Å; I245-E247 PolarHBondContact O-N 2.9Å; I245-S250 VanDerWaalsContact CG1-CB 3.49Å; I245-S250 PolarHBondContact N-OG 2.83Å; I245-S250 VanDerWaalsContact N-OG 3.09Å; I245-S250 WeakPolarHBondContact O-CB 3.27Å; I245-Q275 HydrophobicContact CG2-CB 4.17Å; I245-Q275 HydrophobicContact CG2-CG 4.16Å |
| 246 | A | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -75.9 | 65.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V273 L276 Q297 | A246-V273 HydrophobicContact CB-CG1 4.1Å; A246-L276 HydrophobicContact CB-CD2 3.73Å; A246-Q297 HydrophobicContact CB-CB 3.84Å; A246-Q297 HydrophobicContact CB-CG 3.98Å |
| 247 | E | 95.5 | Very high | 94.2 | Very high | 61 Ų | 61 | 36.4 Ų | 36.4 | 29% | 0.285 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -140.2 | 148.7 | 177 | -65.5 | -166 | -126.5 | 0 | 0 | 111.4 | I245 L249 S250 L251 R293 | I245-E247 HydrophobicContact CD1-CB 4.45Å; I245-E247 HydrophobicContact CD1-CG 4.11Å; I245-E247 WeakPolarHBondContact CD1-OE1 3.22Å; I245-E247 HydrophobicContact CG1-CB 4.26Å; I245-E247 HydrophobicContact CG1-CG 4.22Å; I245-E247 PolarHBondContact O-N 2.9Å; E247-L249 PolarHBondContact O-N 3.46Å; E247-S250 PolarHBondContact O-N 3.2Å; E247-L251 PolarHBondContact O-N 3.44Å; E247-R293 IonicContact OE1-CZ 3.54Å; E247-R293 IonicContact OE1-NH1 2.88Å; E247-R293 IonicContact OE1-NH2 3.8Å; E247-R293 PolarHBondContact OE1-NH2 3.37Å; E247-R293 IonicContact OE2-CZ 3.93Å; E247-R293 IonicContact OE2-NH1 3.75Å; E247-R293 PolarHBondContact OE2-NH1 3.34Å; E247-R293 IonicContact OE2-NH2 3.97Å |
| 248 | F | 93.7 | Very high | 94.2 | Very high | 123 Ų | 123 | 34.5 Ų | 34.5 | 54% | 0.539 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -49.5 | -53.4 | -177.6 | 179.1 | -105.5 | 0 | 0 | 0 | 114.2 | S250 L251 Y252 Y300 | F248-S250 VanDerWaalsContact C-N 3.25Å; F248-S250 PolarHBondContact O-N 3.29Å; F248-L251 PolarHBondContact O-N 2.87Å; F248-Y252 WeakPolarHBondContact O-CB 3.4Å; F248-Y252 PolarHBondContact O-N 2.97Å; F248-Y300 HydrophobicContact CB-CE1 3.78Å; F248-Y300 HydrophobicContact CB-CE2 4.44Å; F248-Y300 HydrophobicContact CD2-CE1 4.21Å |
| 249 | L | 92.5 | Very high | 94.2 | Very high | 109 Ų | 109 | 39.1 Ų | 39.1 | 57% | 0.571 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -69.2 | -23.8 | -176.7 | -71.3 | 176.1 | 0 | 0 | 0 | 113.1 | E247 | E247-L249 PolarHBondContact O-N 3.46Å |
| 250 | S | 94.2 | Very high | 94 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -78.4 | -43.8 | 174.1 | -170.8 | 0 | 0 | 0 | 0 | 110.1 | C244 I245 E247 F248 E253 T254 | C244-S250 WeakPolarHBondContact CB-OG 3.32Å; I245-S250 VanDerWaalsContact CG1-CB 3.49Å; I245-S250 PolarHBondContact N-OG 2.83Å; I245-S250 VanDerWaalsContact N-OG 3.09Å; I245-S250 WeakPolarHBondContact O-CB 3.27Å; E247-S250 PolarHBondContact O-N 3.2Å; F248-S250 VanDerWaalsContact C-N 3.25Å; F248-S250 PolarHBondContact O-N 3.29Å; S250-E253 PolarHBondContact O-N 3.03Å; S250-T254 PolarHBondContact O-N 2.92Å; S250-T254 PolarHBondContact O-OG1 2.91Å; S250-T254 VanDerWaalsContact O-OG1 3.11Å |
| 251 | L | 93.2 | Very high | 93.8 | Very high | 10 Ų | 10 | 40.8 Ų | 40.8 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 178.3 | -178.6 | 55.2 | 0 | 0 | 0 | 111.9 | E247 F248 E253 T254 E255 Y300 Q303 I304 Y308 | E247-L251 PolarHBondContact O-N 3.44Å; F248-L251 PolarHBondContact O-N 2.87Å; L251-E253 VanDerWaalsContact C-N 3.3Å; L251-E253 PolarHBondContact O-N 3.47Å; L251-T254 PolarHBondContact O-N 3.41Å; L251-E255 PolarHBondContact O-N 2.6Å; L251-Y300 HydrophobicContact CD2-CD1 4.43Å; L251-Q303 HydrophobicContact CD2-CB 4.22Å; L251-I304 HydrophobicContact CD1-CD1 4.18Å; L251-I304 HydrophobicContact CD1-CG1 3.44Å; L251-I304 VanDerWaalsContact CD1-CG1 3.44Å; L251-I304 HydrophobicContact CD2-CG1 4.17Å; L251-I304 HydrophobicContact CG-CG1 4.38Å; L251-Y308 HydrophobicContact CD1-CE2 4.11Å |
| 252 | Y | 92.6 | Very high | 93.5 | Very high | 130 Ų | 130 | 43.9 Ų | 43.9 | 51% | 0.51 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.5 | -41.1 | 177.2 | 178.4 | -96.5 | 0 | 0 | 0 | 112.6 | F248 E255 R256 | F248-Y252 WeakPolarHBondContact O-CB 3.4Å; F248-Y252 PolarHBondContact O-N 2.97Å; Y252-E255 PolarHBondContact O-N 2.9Å; Y252-R256 PolarHBondContact O-N 3.04Å; Y252-R256 VanDerWaalsContact O-N 3.09Å |
| 253 | E | 92.2 | Very high | 93.2 | Very high | 39 Ų | 39 | 50.2 Ų | 50.2 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72 | -36.1 | 179.1 | -167.8 | 62.3 | -158.8 | 0 | 0 | 111.8 | K22 T166 S250 L251 R256 L257 | K22-E253 HydrophobicContact CB-CG 4.24Å; K22-E253 HydrophobicContact CD-CB 4.38Å; K22-E253 HydrophobicContact CG-CG 4.41Å; T166-E253 HydrophobicContact CG2-CG 4.01Å; T166-E253 PolarHBondContact OG1-OE1 3.38Å; S250-E253 PolarHBondContact O-N 3.03Å; L251-E253 VanDerWaalsContact C-N 3.3Å; L251-E253 PolarHBondContact O-N 3.47Å; E253-R256 PolarHBondContact O-N 3.4Å; E253-L257 WeakPolarHBondContact O-CB 3.21Å; E253-L257 PolarHBondContact O-N 3.24Å |
| 254 | T | 93.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.8 | -41.5 | 173.2 | -63 | 0 | 0 | 0 | 0 | 111.6 | C242 C244 S250 L251 R256 L257 V258 | C242-T254 HydrophobicContact CB-CG2 4.1Å; C244-T254 VanDerWaalsContact CB-OG1 3.27Å; C244-T254 WeakPolarHBondContact CB-OG1 3.34Å; S250-T254 PolarHBondContact O-N 2.92Å; S250-T254 PolarHBondContact O-OG1 2.91Å; S250-T254 VanDerWaalsContact O-OG1 3.11Å; L251-T254 PolarHBondContact O-N 3.41Å; T254-R256 PolarHBondContact O-N 3.29Å; T254-L257 WeakPolarHBondContact O-CB 3.28Å; T254-L257 PolarHBondContact O-N 3.03Å; T254-V258 HydrophobicContact CG2-CG2 4.43Å; T254-V258 WeakPolarHBondContact O-CG2 3.34Å; T254-V258 PolarHBondContact O-N 3.07Å |
| 255 | E | 92.9 | Very high | 92.3 | Very high | 72 Ų | 72 | 57.2 Ų | 57.2 | 34% | 0.336 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 174.9 | -172.5 | -171.6 | 162.5 | 0 | 0 | 111.4 | L251 Y252 L257 V258 Q259 Y308 | L251-E255 PolarHBondContact O-N 2.6Å; Y252-E255 PolarHBondContact O-N 2.9Å; E255-L257 VanDerWaalsContact C-N 3.31Å; E255-L257 PolarHBondContact O-N 3.43Å; E255-V258 PolarHBondContact O-N 2.91Å; E255-Q259 WeakPolarHBondContact O-CG 3.31Å; E255-Q259 PolarHBondContact O-N 2.99Å; E255-Q259 PolarHBondContact OE1-NE2 2.92Å; E255-Y308 WeakPolarHBondContact CA-OH 3.45Å; E255-Y308 WeakPolarHBondContact CB-OH 3.5Å |
| 256 | R | 92 | Very high | 92 | Very high | 133 Ų | 133 | 57 Ų | 57 | 50% | 0.502 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 174.7 | -175.3 | -179.4 | -179.4 | 178.3 | 3.2 | 111.9 | Y252 E253 T254 Q259 D260 | Y252-R256 PolarHBondContact O-N 3.04Å; Y252-R256 VanDerWaalsContact O-N 3.09Å; E253-R256 PolarHBondContact O-N 3.4Å; T254-R256 PolarHBondContact O-N 3.29Å; R256-Q259 PolarHBondContact O-N 3.44Å; R256-D260 WeakPolarHBondContact O-CB 3.4Å; R256-D260 PolarHBondContact O-N 2.65Å |
| 257 | L | 92 | Very high | 91.9 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 177.5 | 177.3 | 64 | 0 | 0 | 0 | 111.6 | T166 L170 F240 E253 T254 E255 Q259 D260 L261 | T166-L257 HydrophobicContact CG2-CB 4.24Å; T166-L257 HydrophobicContact CG2-CD1 4.28Å; T166-L257 HydrophobicContact CG2-CD2 3.86Å; T166-L257 HydrophobicContact CG2-CG 4.36Å; L170-L257 HydrophobicContact CD1-CD1 4.03Å; L170-L257 HydrophobicContact CD2-CD1 3.98Å; L170-L257 HydrophobicContact CG-CD1 3.96Å; F240-L257 HydrophobicContact CE1-CD2 3.75Å; F240-L257 HydrophobicContact CE1-CG 4.37Å; F240-L257 HydrophobicContact CZ-CD1 4.21Å; F240-L257 HydrophobicContact CZ-CD2 4.04Å; E253-L257 WeakPolarHBondContact O-CB 3.21Å; E253-L257 PolarHBondContact O-N 3.24Å; T254-L257 WeakPolarHBondContact O-CB 3.28Å; T254-L257 PolarHBondContact O-N 3.03Å; E255-L257 VanDerWaalsContact C-N 3.31Å; E255-L257 PolarHBondContact O-N 3.43Å; L257-Q259 VanDerWaalsContact C-N 3.34Å; L257-Q259 PolarHBondContact O-N 2.85Å; L257-D260 PolarHBondContact O-N 3.25Å; L257-L261 HydrophobicContact CD1-CD1 4.23Å; L257-L261 HydrophobicContact CD1-CG 4.28Å; L257-L261 HydrophobicContact CG-CD1 3.99Å; L257-L261 HydrophobicContact CG-CG 4.47Å; L257-L261 VanDerWaalsContact O-CG 3.3Å; L257-L261 WeakPolarHBondContact O-CG 3.35Å; L257-L261 PolarHBondContact O-N 2.79Å |
| 258 | V | 92.7 | Very high | 91.8 | Very high | 21 Ų | 21 | 56 Ų | 56 | 13% | 0.127 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 178.4 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | T254 E255 D260 L261 A262 T268 Y308 F311 | T254-V258 HydrophobicContact CG2-CG2 4.43Å; T254-V258 WeakPolarHBondContact O-CG2 3.34Å; T254-V258 PolarHBondContact O-N 3.07Å; E255-V258 PolarHBondContact O-N 2.91Å; V258-D260 VanDerWaalsContact C-N 3.33Å; V258-D260 PolarHBondContact O-N 3.2Å; V258-L261 PolarHBondContact O-N 3.28Å; V258-A262 PolarHBondContact O-N 3.14Å; V258-T268 HydrophobicContact CG1-CG2 4.17Å; V258-Y308 HydrophobicContact CG1-CE1 4.34Å; V258-Y308 HydrophobicContact CG2-CE1 4.31Å; V258-F311 HydrophobicContact CG1-CZ 4.06Å |
| 259 | Q | 91.9 | Very high | 91.8 | Very high | 96 Ų | 96 | 53.8 Ų | 53.8 | 45% | 0.449 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 175.9 | -71.1 | 177 | 10.3 | 0 | 0 | 112.6 | E255 R256 L257 K263 | E255-Q259 WeakPolarHBondContact O-CG 3.31Å; E255-Q259 PolarHBondContact O-N 2.99Å; E255-Q259 PolarHBondContact OE1-NE2 2.92Å; R256-Q259 PolarHBondContact O-N 3.44Å; L257-Q259 VanDerWaalsContact C-N 3.34Å; L257-Q259 PolarHBondContact O-N 2.85Å; Q259-K263 WeakPolarHBondContact O-CG 3.46Å; Q259-K263 PolarHBondContact O-N 3.11Å |
| 260 | D | 89.9 | Confident | 92 | Very high | 37 Ų | 37 | 48.8 Ų | 48.8 | 20% | 0.198 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.8 | -36 | 178.5 | -73.5 | -21.6 | 0 | 0 | 0 | 112 | L170 R256 L257 V258 K263 L264 | L170-D260 HydrophobicContact CD1-CB 3.48Å; L170-D260 VanDerWaalsContact CD1-CB 3.48Å; L170-D260 WeakPolarHBondContact CD1-OD2 3.38Å; L170-D260 HydrophobicContact CD2-CB 3.87Å; L170-D260 HydrophobicContact CG-CB 4.31Å; R256-D260 WeakPolarHBondContact O-CB 3.4Å; R256-D260 PolarHBondContact O-N 2.65Å; L257-D260 PolarHBondContact O-N 3.25Å; V258-D260 VanDerWaalsContact C-N 3.33Å; V258-D260 PolarHBondContact O-N 3.2Å; D260-K263 WeakPolarHBondContact O-CB 3.19Å; D260-K263 PolarHBondContact O-N 2.79Å; D260-K263 IonicContact OD1-NZ 3.76Å; D260-K263 PolarHBondContact OD1-NZ 3.21Å; D260-L264 WeakPolarHBondContact O-CG 3.35Å; D260-L264 PolarHBondContact O-N 2.78Å; D260-L264 VanDerWaalsContact O-N 3.14Å |
| 261 | L | 91 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.5 | -40.9 | 171.4 | -70.9 | 168.7 | 0 | 0 | 0 | 111.9 | L170 L173 F240 L257 V258 K263 L264 E265 M266 T268 | L170-L261 HydrophobicContact CD2-CD2 4.16Å; L170-L261 HydrophobicContact CD2-CG 4.35Å; L173-L261 HydrophobicContact CD1-CD2 4.09Å; F240-L261 HydrophobicContact CB-CD1 3.95Å; F240-L261 HydrophobicContact CB-CD2 4.35Å; F240-L261 HydrophobicContact CD1-CD1 3.49Å; F240-L261 VanDerWaalsContact CD1-CD1 3.49Å; F240-L261 HydrophobicContact CD2-CD1 3.93Å; F240-L261 HydrophobicContact CD2-CD2 3.56Å; F240-L261 HydrophobicContact CD2-CG 4.41Å; F240-L261 HydrophobicContact CE1-CD1 3.93Å; F240-L261 HydrophobicContact CE2-CD1 4.31Å; F240-L261 HydrophobicContact CE2-CD2 3.95Å; F240-L261 HydrophobicContact CG-CD1 3.51Å; F240-L261 HydrophobicContact CG-CD2 3.95Å; F240-L261 HydrophobicContact CG-CG 4.4Å; F240-L261 HydrophobicContact CZ-CD1 4.3Å; L257-L261 HydrophobicContact CD1-CD1 4.23Å; L257-L261 HydrophobicContact CD1-CG 4.28Å; L257-L261 HydrophobicContact CG-CD1 3.99Å; L257-L261 HydrophobicContact CG-CG 4.47Å; L257-L261 VanDerWaalsContact O-CG 3.3Å; L257-L261 WeakPolarHBondContact O-CG 3.35Å; L257-L261 PolarHBondContact O-N 2.79Å; V258-L261 PolarHBondContact O-N 3.28Å; L261-K263 VanDerWaalsContact C-N 3.33Å; L261-K263 PolarHBondContact O-N 2.82Å; L261-L264 CarbonylContact O-C 3.37Å; L261-L264 WeakPolarHBondContact O-CA 3.47Å; L261-L264 WeakPolarHBondContact O-CB 3.32Å; L261-L264 PolarHBondContact O-N 3.4Å; L261-E265 PolarHBondContact O-N 3.32Å; L261-E265 VanDerWaalsContact O-N 3.13Å; L261-M266 HydrophobicContact CD2-CB 4.2Å; L261-M266 HydrophobicContact CD2-SD 4.1Å; L261-M266 PolarHBondContact O-N 3.19Å; L261-M266 VanDerWaalsContact O-N 3.07Å; L261-T268 HydrophobicContact CB-CG2 4.29Å; L261-T268 HydrophobicContact CD1-CG2 4.14Å |
| 262 | A | 91.3 | Very high | 92.3 | Very high | 65 Ų | 65 | 48.2 Ų | 48.2 | 54% | 0.537 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.7 | -39.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V258 L264 E265 | V258-A262 PolarHBondContact O-N 3.14Å; A262-L264 PolarHBondContact O-N 3.37Å; A262-E265 PolarHBondContact O-N 2.86Å; A262-E265 VanDerWaalsContact O-N 3.07Å |
| 263 | K | 89.4 | Confident | 92.6 | Very high | 132 Ų | 132 | 42 Ų | 42 | 57% | 0.574 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -66.2 | -24.5 | 174 | -67.3 | 168.4 | -159.8 | 156.9 | 0 | 113.2 | Q259 D260 L261 E265 | Q259-K263 WeakPolarHBondContact O-CG 3.46Å; Q259-K263 PolarHBondContact O-N 3.11Å; D260-K263 WeakPolarHBondContact O-CB 3.19Å; D260-K263 PolarHBondContact O-N 2.79Å; D260-K263 IonicContact OD1-NZ 3.76Å; D260-K263 PolarHBondContact OD1-NZ 3.21Å; L261-K263 VanDerWaalsContact C-N 3.33Å; L261-K263 PolarHBondContact O-N 2.82Å; K263-E265 VanDerWaalsContact C-N 3.33Å |
| 264 | L | 85.3 | Confident | 92.8 | Very high | 30 Ų | 30 | 40.6 Ų | 40.6 | 16% | 0.157 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -4 | 174.8 | -66.3 | 174.7 | 0 | 0 | 0 | 112.7 | L170 L173 D260 L261 A262 M266 | L170-L264 HydrophobicContact CD2-CD1 3.88Å; L173-L264 HydrophobicContact CB-CD1 3.88Å; D260-L264 WeakPolarHBondContact O-CG 3.35Å; D260-L264 PolarHBondContact O-N 2.78Å; D260-L264 VanDerWaalsContact O-N 3.14Å; L261-L264 CarbonylContact O-C 3.37Å; L261-L264 WeakPolarHBondContact O-CA 3.47Å; L261-L264 WeakPolarHBondContact O-CB 3.32Å; L261-L264 PolarHBondContact O-N 3.4Å; A262-L264 PolarHBondContact O-N 3.37Å; L264-M266 HydrophobicContact CB-CG 4.17Å; L264-M266 HydrophobicContact CB-SD 4.47Å; L264-M266 PolarHBondContact O-N 3.1Å |
| 265 | E | 89.6 | Confident | 93 | Very high | 119 Ų | 119 | 43.4 Ų | 43.4 | 56% | 0.556 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 34.5 | -174.4 | -59.4 | 160.3 | -149.4 | 0 | 0 | 112.4 | K233 L261 A262 K263 | K233-E265 HydrophobicContact CD-CB 4.41Å; K233-E265 WeakPolarHBondContact CE-OE2 3.42Å; K233-E265 HydrophobicContact CG-CB 4.23Å; K233-E265 VanDerWaalsContact NZ-CD 3.28Å; K233-E265 IonicContact NZ-OE1 3.47Å; K233-E265 PolarHBondContact NZ-OE1 3.23Å; K233-E265 IonicContact NZ-OE2 2.71Å; K233-E265 PolarHBondContact NZ-OE2 2.8Å; L261-E265 PolarHBondContact O-N 3.32Å; L261-E265 VanDerWaalsContact O-N 3.13Å; A262-E265 PolarHBondContact O-N 2.86Å; A262-E265 VanDerWaalsContact O-N 3.07Å; K263-E265 VanDerWaalsContact C-N 3.33Å |
| 266 | M | 90.6 | Very high | 93.2 | Very high | 14 Ų | 14 | 40.3 Ų | 40.3 | 7% | 0.069 | 20% | 0.198 | C | C | . | . | trans | -95.5 | 137.6 | 175.5 | -70.8 | -174.6 | 66.8 | 0 | 0 | 111.2 | F18 L173 T238 F240 L261 L264 T268 | F18-M266 HydrophobicContact CD2-CE 3.9Å; F18-M266 HydrophobicContact CE2-CE 4.13Å; L173-M266 HydrophobicContact CB-SD 4.06Å; L173-M266 HydrophobicContact CD1-CE 3.92Å; L173-M266 HydrophobicContact CD1-SD 3.65Å; L173-M266 HydrophobicContact CD2-CE 3.77Å; L173-M266 HydrophobicContact CD2-SD 3.79Å; L173-M266 HydrophobicContact CG-CE 4.41Å; L173-M266 HydrophobicContact CG-SD 4.03Å; T238-M266 HydrophobicContact CG2-CE 4.1Å; F240-M266 HydrophobicContact CD2-CE 4.46Å; L261-M266 HydrophobicContact CD2-CB 4.2Å; L261-M266 HydrophobicContact CD2-SD 4.1Å; L261-M266 PolarHBondContact O-N 3.19Å; L261-M266 VanDerWaalsContact O-N 3.07Å; L264-M266 HydrophobicContact CB-CG 4.17Å; L264-M266 HydrophobicContact CB-SD 4.47Å; L264-M266 PolarHBondContact O-N 3.1Å; M266-T268 PolarHBondContact O-N 2.99Å | ||
| 267 | D | 94 | Very high | 93.4 | Very high | 22 Ų | 22 | 35.9 Ų | 35.9 | 12% | 0.118 | 18% | 0.184 | C | C | . | . | trans | -67.7 | 126.6 | 175.9 | -179.4 | 61.9 | 0 | 0 | 0 | 111.1 | R11 P235 T238 T239 F240 Q269 | R11-D267 IonicContact NH2-OD2 3.14Å; P235-D267 HydrophobicContact CB-CB 3.82Å; T238-D267 WeakPolarHBondContact O-CB 3.21Å; T239-D267 CarbonylContact C-O 3.57Å; T239-D267 WeakPolarHBondContact CA-O 3.41Å; T239-D267 VanDerWaalsContact CB-OD2 3.28Å; T239-D267 WeakPolarHBondContact CB-OD2 3.47Å; T239-D267 PolarHBondContact OG1-OD2 3.43Å; F240-D267 PolarHBondContact N-O 3.09Å; D267-Q269 PolarHBondContact OD1-NE2 3.44Å | ||
| 268 | T | 94 | Very high | 93.3 | Very high | 18 Ų | 18 | 38.9 Ų | 38.9 | 11% | 0.11 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 116.2 | 169.6 | -172.3 | 0 | 0 | 0 | 0 | 108.5 | F240 V258 L261 M266 F311 | F240-T268 WeakPolarHBondContact O-CA 3.42Å; F240-T268 WeakPolarHBondContact O-CB 3.41Å; F240-T268 PolarHBondContact O-OG1 2.79Å; V258-T268 HydrophobicContact CG1-CG2 4.17Å; L261-T268 HydrophobicContact CB-CG2 4.29Å; L261-T268 HydrophobicContact CD1-CG2 4.14Å; M266-T268 PolarHBondContact O-N 2.99Å; T268-F311 HydrophobicContact CG2-CE1 4.09Å; T268-F311 HydrophobicContact CG2-CZ 4.28Å; T268-F311 WeakPolarHBondContact O-CE1 3.38Å; T268-F311 VanDerWaalsContact O-CZ 3.32Å; T268-F311 WeakPolarHBondContact O-CZ 3.44Å |
| 269 | Q | 93.5 | Very high | 93 | Very high | 77 Ų | 77 | 39.5 Ų | 39.5 | 36% | 0.36 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 2.6 | -175.7 | -64.1 | -177.3 | -14.2 | 0 | 0 | 112.1 | D267 F311 H312 | D267-Q269 PolarHBondContact OD1-NE2 3.44Å; Q269-F311 WeakPolarHBondContact O-CA 3.48Å; Q269-H312 PolarHBondContact O-N 3.31Å |
| 270 | N | 96.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 124.7 | -171 | -60.4 | -82.1 | 0 | 0 | 0 | 109.9 | L5 V241 C242 H312 | L5-N270 HydrophobicContact CD2-CB 3.74Å; L5-N270 WeakPolarHBondContact CD2-OD1 3.38Å; V241-N270 HydrophobicContact CG1-CB 4.21Å; V241-N270 HydrophobicContact CG2-CB 4.19Å; C242-N270 PolarHBondContact N-O 2.89Å; N270-H312 WeakPolarHBondContact OD1-CB 3.46Å |
| 271 | I | 96.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123.9 | 175.4 | -56.6 | -177.8 | 0 | 0 | 0 | 109 | C242 V273 Y308 F311 H312 I313 V314 | C242-I271 HydrophobicContact CB-CG1 4.21Å; C242-I271 CarbonylContact O-C 3.53Å; C242-I271 WeakPolarHBondContact O-CA 3.03Å; I271-V273 HydrophobicContact CG2-CG2 4.31Å; I271-Y308 HydrophobicContact CD1-CD1 3.85Å; I271-Y308 HydrophobicContact CD1-CD2 3.68Å; I271-Y308 HydrophobicContact CD1-CE1 4.18Å; I271-Y308 HydrophobicContact CD1-CE2 4.03Å; I271-Y308 HydrophobicContact CD1-CG 3.59Å; I271-F311 HydrophobicContact CD1-CD1 3.85Å; I271-F311 HydrophobicContact CD1-CE1 4.31Å; I271-F311 HydrophobicContact CD1-CG 4.24Å; I271-F311 HydrophobicContact CG1-CB 4.5Å; I271-F311 HydrophobicContact CG1-CD1 3.7Å; I271-F311 HydrophobicContact CG1-CE1 4.33Å; I271-F311 HydrophobicContact CG1-CG 4.37Å; I271-H312 PolarHBondContact N-O 2.87Å; I271-I313 WeakPolarHBondContact O-CA 3.24Å; I271-V314 PolarHBondContact O-N 3.14Å |
| 272 | L | 97.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 121.9 | 171.3 | -56.8 | -176.7 | 0 | 0 | 0 | 109.1 | L5 C30 V241 C242 V243 C244 V314 L316 L336 | L5-L272 HydrophobicContact CD1-CD1 4.39Å; L5-L272 HydrophobicContact CD1-CD2 3.94Å; L5-L272 HydrophobicContact CD2-CD2 4Å; L5-L272 HydrophobicContact CG-CD2 4Å; C30-L272 HydrophobicContact CB-CD1 3.67Å; V241-L272 HydrophobicContact CG1-CD1 3.92Å; V241-L272 HydrophobicContact CG1-CG 3.83Å; C242-L272 PolarHBondContact O-N 2.84Å; V243-L272 WeakPolarHBondContact CA-O 3.44Å; V243-L272 HydrophobicContact CG1-CB 4.33Å; V243-L272 HydrophobicContact CG2-CB 4.32Å; V243-L272 HydrophobicContact CG2-CD1 4.22Å; C244-L272 PolarHBondContact N-O 3.23Å; L272-V314 HydrophobicContact CD2-CB 3.49Å; L272-V314 VanDerWaalsContact CD2-CB 3.49Å; L272-V314 HydrophobicContact CD2-CG1 4.11Å; L272-V314 HydrophobicContact CD2-CG2 3.73Å; L272-L316 HydrophobicContact CB-CD1 4.26Å; L272-L316 HydrophobicContact CD1-CD1 4.46Å; L272-L336 HydrophobicContact CD1-CD2 3.91Å; L272-L336 HydrophobicContact CD2-CD2 3.82Å |
| 273 | V | 97.6 | Very high | 91 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 102.7 | 175 | -170.6 | 0 | 0 | 0 | 0 | 108.3 | C244 A246 I271 L276 I304 I313 V314 L315 L316 | C244-V273 CarbonylContact O-C 3.59Å; C244-V273 WeakPolarHBondContact O-CA 3.41Å; A246-V273 HydrophobicContact CB-CG1 4.1Å; I271-V273 HydrophobicContact CG2-CG2 4.31Å; V273-L276 HydrophobicContact CB-CD1 4.26Å; V273-L276 HydrophobicContact CG1-CD1 4.07Å; V273-L276 HydrophobicContact CG1-CD2 3.91Å; V273-L276 HydrophobicContact CG1-CG 4.11Å; V273-I304 HydrophobicContact CG1-CD1 4.41Å; V273-I304 HydrophobicContact CG2-CD1 4.19Å; V273-I304 HydrophobicContact CG2-CG2 4.32Å; V273-I313 HydrophobicContact CG2-CG2 3.87Å; V273-V314 PolarHBondContact N-O 2.85Å; V273-L315 HydrophobicContact CB-CD2 4.16Å; V273-L315 HydrophobicContact CG2-CD2 4.28Å; V273-L316 PolarHBondContact O-N 3.24Å |
| 274 | N | 97.6 | Very high | 90.6 | Very high | 10 Ų | 10 | 54.2 Ų | 54.2 | 5% | 0.053 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 168.4 | -174.2 | -163 | 18.8 | 0 | 0 | 0 | 112.9 | V25 C244 L276 | V25-N274 WeakPolarHBondContact O-CB 3.44Å; V25-N274 PolarHBondContact O-ND2 3.31Å; C244-N274 PolarHBondContact O-N 3.03Å; N274-L276 VanDerWaalsContact C-N 3.26Å; N274-L276 PolarHBondContact O-N 2.98Å |
| 275 | Q | 96.9 | Very high | 90.6 | Very high | 59 Ų | 59 | 59.7 Ų | 59.7 | 28% | 0.276 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 59.9 | 33.1 | 174.2 | -54.5 | 176 | 16.1 | 0 | 0 | 113.4 | G24 I245 Q297 L316 L318 | G24-Q275 PolarHBondContact O-NE2 2.97Å; G24-Q275 VanDerWaalsContact O-NE2 3.11Å; I245-Q275 HydrophobicContact CG2-CB 4.17Å; I245-Q275 HydrophobicContact CG2-CG 4.16Å; Q275-Q297 PolarHBondContact O-NE2 2.64Å; Q275-L316 PolarHBondContact N-O 3.06Å; Q275-L318 HydrophobicContact CB-CB 4.46Å; Q275-L318 HydrophobicContact CB-CD1 4.04Å; Q275-L318 HydrophobicContact CG-CD1 4.03Å |
| 276 | L | 96.9 | Very high | 90.4 | Very high | 7 Ų | 7 | 56.5 Ų | 56.5 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 129.1 | 176.3 | -67.1 | 172.4 | 0 | 0 | 0 | 110.4 | A246 V273 N274 F278 Q297 L315 L316 P317 L318 | A246-L276 HydrophobicContact CB-CD2 3.73Å; V273-L276 HydrophobicContact CB-CD1 4.26Å; V273-L276 HydrophobicContact CG1-CD1 4.07Å; V273-L276 HydrophobicContact CG1-CD2 3.91Å; V273-L276 HydrophobicContact CG1-CG 4.11Å; N274-L276 VanDerWaalsContact C-N 3.26Å; N274-L276 PolarHBondContact O-N 2.98Å; L276-F278 HydrophobicContact CB-CD2 4.36Å; L276-F278 HydrophobicContact CB-CE2 3.62Å; L276-F278 HydrophobicContact CB-CZ 3.92Å; L276-F278 HydrophobicContact CD1-CZ 4.19Å; L276-Q297 HydrophobicContact CD2-CB 4.41Å; L276-L315 HydrophobicContact CD1-CB 3.61Å; L276-L315 HydrophobicContact CD1-CD2 3.87Å; L276-L315 HydrophobicContact CD1-CG 4.19Å; L276-L316 WeakPolarHBondContact CB-O 3.41Å; L276-L316 PolarHBondContact N-O 2.7Å; L276-L316 VanDerWaalsContact N-O 3.1Å; L276-P317 CarbonylContact O-C 3.58Å; L276-P317 WeakPolarHBondContact O-CA 3.42Å; L276-L318 PolarHBondContact O-N 3.22Å |
| 277 | L | 95.2 | Very high | 90.3 | Very high | 41 Ų | 41 | 58.7 Ų | 58.7 | 22% | 0.215 | 31% | 0.311 | C | S | . | . | trans | -84.4 | 131.3 | 171.2 | -70.6 | 171.2 | 0 | 0 | 0 | 109.1 | P279 R293 H294 L318 | L277-P279 WeakPolarHBondContact O-CD 3.46Å; L277-R293 HydrophobicContact CD1-CB 3.78Å; L277-R293 HydrophobicContact CD1-CG 3.59Å; L277-H294 HydrophobicContact CB-CB 4.5Å; L277-H294 PolarHBondContact O-ND1 3.38Å; L277-L318 HydrophobicContact CD2-CB 4.28Å; L277-L318 HydrophobicContact CD2-CD2 3.71Å; L277-L318 HydrophobicContact CG-CD2 4.45Å | ||
| 278 | F | 91.6 | Very high | 90.2 | Very high | 65 Ų | 65 | 66.4 Ų | 66.4 | 29% | 0.285 | 34% | 0.344 | S | S | . | . | trans | -117.9 | 80.6 | 170.8 | -63 | -84.3 | 0 | 0 | 0 | 108.3 | L276 P317 Y340 P342 | L276-F278 HydrophobicContact CB-CD2 4.36Å; L276-F278 HydrophobicContact CB-CE2 3.62Å; L276-F278 HydrophobicContact CB-CZ 3.92Å; L276-F278 HydrophobicContact CD1-CZ 4.19Å; F278-P317 HydrophobicContact CD2-CB 4.02Å; F278-P317 HydrophobicContact CE2-CB 4.01Å; F278-Y340 HydrophobicContact CB-CE1 4.24Å; F278-Y340 AromaticContact CD2-CD1 3.68Å; F278-Y340 HydrophobicContact CD2-CD1 3.68Å; F278-Y340 AromaticContact CD2-CE1 3.46Å; F278-Y340 HydrophobicContact CD2-CE1 3.46Å; F278-Y340 VanDerWaalsContact CD2-CE1 3.46Å; F278-Y340 AromaticContact CE2-CD1 3.62Å; F278-Y340 HydrophobicContact CE2-CD1 3.62Å; F278-Y340 AromaticContact CE2-CE1 3.93Å; F278-Y340 HydrophobicContact CE2-CE1 3.93Å; F278-Y340 HydrophobicContact CG-CD1 4.27Å; F278-Y340 AromaticContact CG-CE1 3.91Å; F278-Y340 HydrophobicContact CG-CE1 3.91Å; F278-Y340 HydrophobicContact CZ-CD1 4.19Å; F278-P342 HydrophobicContact CB-CB 3.62Å; F278-P342 HydrophobicContact CB-CG 4.06Å; F278-P342 HydrophobicContact CD1-CG 4.15Å; F278-P342 HydrophobicContact CG-CB 4.19Å; F278-P342 HydrophobicContact CG-CG 4.31Å | ||
| 279 | P | 85.3 | Confident | 90.2 | Very high | 34 Ų | 34 | 73.3 Ų | 73.3 | 22% | 0.221 | 38% | 0.377 | C | S | . | . | trans | -66.7 | 136.8 | 179 | 27.7 | -32.4 | 0 | 0 | 0 | 110.4 | L277 T281 L291 H294 | L277-P279 WeakPolarHBondContact O-CD 3.46Å; P279-T281 PolarHBondContact O-N 3Å; P279-L291 HydrophobicContact CB-CD2 3.93Å; P279-L291 HydrophobicContact CG-CD2 3.87Å; P279-H294 HydrophobicContact CG-CB 3.83Å | ||
| 280 | D | 82.9 | Confident | 90.1 | Very high | 101 Ų | 101 | 71.6 Ų | 71.6 | 54% | 0.54 | 37% | 0.373 | S | S | . | . | trans | -61.1 | 119.6 | 173.9 | -176.7 | -3 | 0 | 0 | 0 | 109.9 | D282 D283 | D280-D282 VanDerWaalsContact C-N 3.26Å; D280-D282 PolarHBondContact O-N 3.18Å; D280-D282 PolarHBondContact OD1-N 2.84Å; D280-D283 HydrophobicContact CB-CB 4.21Å | ||
| 281 | T | 76.8 | Confident | 89.9 | Confident | 130 Ų | 130 | 75.1 Ų | 75.1 | 80% | 0.798 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -19.4 | 179.9 | 50.8 | 0 | 0 | 0 | 0 | 112.9 | P279 | P279-T281 PolarHBondContact O-N 3Š|
| 282 | D | 81.3 | Confident | 89.8 | Confident | 138 Ų | 138 | 78 Ų | 78 | 74% | 0.738 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -4.2 | -177.9 | -66.5 | -24.3 | 0 | 0 | 0 | 112.8 | D280 K284 | D280-D282 VanDerWaalsContact C-N 3.26Å; D280-D282 PolarHBondContact O-N 3.18Å; D280-D282 PolarHBondContact OD1-N 2.84Å; D282-K284 PolarHBondContact O-N 3.14Å |
| 283 | D | 82.2 | Confident | 89.7 | Confident | 77 Ų | 77 | 82 Ų | 82 | 41% | 0.412 | 43% | 0.43 | S | S | . | . | trans | -63.4 | 126.7 | 176.9 | -174.6 | 5.7 | 0 | 0 | 0 | 110.9 | D280 N285 P286 | D280-D283 HydrophobicContact CB-CB 4.21Å; D283-N285 VanDerWaalsContact C-N 3.27Å; D283-N285 PolarHBondContact O-N 3.4Å; D283-N285 PolarHBondContact OD1-N 2.91Å; D283-P286 WeakPolarHBondContact O-CD 3.38Å | ||
| 284 | K | 80.3 | Confident | 89.5 | Confident | 192 Ų | 192 | 85 Ų | 85 | 84% | 0.835 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -71.5 | -21.3 | 179.1 | -66.7 | -179.1 | -179.1 | 174.7 | 0 | 112.6 | D282 | D282-K284 PolarHBondContact O-N 3.14Š|
| 285 | N | 85.1 | Confident | 89.4 | Confident | 145 Ų | 145 | 86.6 Ų | 86.6 | 78% | 0.775 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -131.8 | 63.1 | -179.2 | -73.3 | -37 | 0 | 0 | 0 | 111.6 | D283 | D283-N285 VanDerWaalsContact C-N 3.27Å; D283-N285 PolarHBondContact O-N 3.4Å; D283-N285 PolarHBondContact OD1-N 2.91Å |
| 286 | P | 84.8 | Confident | 89.4 | Confident | 52 Ų | 52 | 87.6 Ų | 87.6 | 34% | 0.338 | 47% | 0.469 | S | S | . | . | trans | -67.6 | 142.4 | -168.8 | 29.9 | -36 | 0 | 0 | 0 | 111.7 | D283 K288 L291 | D283-P286 WeakPolarHBondContact O-CD 3.38Å; P286-K288 PolarHBondContact O-N 3.47Å; P286-L291 HydrophobicContact CB-CD1 3.61Å; P286-L291 HydrophobicContact CB-CG 4.14Å; P286-L291 HydrophobicContact CG-CD1 3.71Å | ||
| 287 | C | 89.8 | Confident | 89.4 | Confident | 60 Ų | 60 | 87.7 Ų | 87.7 | 41% | 0.405 | 47% | 0.47 | S | S | . | . | trans | -58.6 | 106.3 | 173.8 | 167.2 | 0 | 0 | 0 | 0 | 110.8 | M289 C290 L291 | C287-M289 VanDerWaalsContact C-N 3.28Å; C287-M289 PolarHBondContact O-N 3.49Å; C287-C290 HydrophobicContact CB-CB 3.58Å; C287-C290 WeakPolarHBondContact CB-SG 3.41Å; C287-C290 WeakPolarHBondContact O-CB 3.43Å; C287-C290 PolarHBondContact O-N 3.35Å; C287-C290 WeakPolarHBondContact SG-CB 3.44Å; C287-C290 PolarHBondContact SG-N 2.93Å; C287-C290 CovalentContact SG-SG 2.06Å; C287-C290 PolarHBondContact SG-SG 2.97Å; C287-L291 PolarHBondContact O-N 2.89Å | ||
| 288 | K | 91.7 | Very high | 89.4 | Confident | 184 Ų | 184 | 88 Ų | 88 | 80% | 0.8 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -54.6 | -41 | -178.5 | -68.8 | -175.6 | 179.8 | 179.4 | 0 | 113.3 | P286 A292 | P286-K288 PolarHBondContact O-N 3.47Å; K288-A292 WeakPolarHBondContact O-CB 3.32Å; K288-A292 PolarHBondContact O-N 3.35Å; K288-A292 VanDerWaalsContact O-N 3.09Å |
| 289 | M | 93.2 | Very high | 89.6 | Confident | 163 Ų | 163 | 91 Ų | 91 | 80% | 0.803 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.8 | -40.7 | 178.5 | -72.4 | -177.6 | 157.5 | 0 | 0 | 111.8 | C287 A292 R293 | C287-M289 VanDerWaalsContact C-N 3.28Å; C287-M289 PolarHBondContact O-N 3.49Å; M289-A292 PolarHBondContact O-N 2.91Å; M289-R293 VanDerWaalsContact O-CB 3.29Å; M289-R293 WeakPolarHBondContact O-CB 3.29Å; M289-R293 PolarHBondContact O-N 3.09Å |
| 290 | C | 92.2 | Very high | 90.1 | Very high | 42 Ų | 42 | 91.5 Ų | 91.5 | 28% | 0.284 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67 | -42.9 | -179.6 | -48.8 | 0 | 0 | 0 | 0 | 110.9 | C287 R293 H294 | C287-C290 HydrophobicContact CB-CB 3.58Å; C287-C290 WeakPolarHBondContact CB-SG 3.41Å; C287-C290 WeakPolarHBondContact O-CB 3.43Å; C287-C290 PolarHBondContact O-N 3.35Å; C287-C290 WeakPolarHBondContact SG-CB 3.44Å; C287-C290 PolarHBondContact SG-N 2.93Å; C287-C290 CovalentContact SG-SG 2.06Å; C287-C290 PolarHBondContact SG-SG 2.97Å; C290-R293 PolarHBondContact O-N 3.2Å; C290-H294 VanDerWaalsContact O-CB 3.3Å; C290-H294 WeakPolarHBondContact O-CB 3.48Å; C290-H294 PolarHBondContact O-N 3.2Å |
| 291 | L | 92.3 | Very high | 90.8 | Very high | 76 Ų | 76 | 87.9 Ų | 87.9 | 40% | 0.398 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 173.3 | -72.8 | 178.9 | 0 | 0 | 0 | 112.3 | P279 P286 C287 R293 H294 G295 | P279-L291 HydrophobicContact CB-CD2 3.93Å; P279-L291 HydrophobicContact CG-CD2 3.87Å; P286-L291 HydrophobicContact CB-CD1 3.61Å; P286-L291 HydrophobicContact CB-CG 4.14Å; P286-L291 HydrophobicContact CG-CD1 3.71Å; C287-L291 PolarHBondContact O-N 2.89Å; L291-R293 VanDerWaalsContact C-N 3.31Å; L291-R293 PolarHBondContact O-N 3.15Å; L291-H294 PolarHBondContact O-N 3.01Å; L291-G295 PolarHBondContact O-N 3.21Å |
| 292 | A | 93.9 | Very high | 91.6 | Very high | 61 Ų | 61 | 84.3 Ų | 84.3 | 50% | 0.504 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K288 M289 G295 I296 | K288-A292 WeakPolarHBondContact O-CB 3.32Å; K288-A292 PolarHBondContact O-N 3.35Å; K288-A292 VanDerWaalsContact O-N 3.09Å; M289-A292 PolarHBondContact O-N 2.91Å; A292-G295 PolarHBondContact O-N 3.43Å; A292-I296 WeakPolarHBondContact O-CG1 3.28Å; A292-I296 PolarHBondContact O-N 3.41Å; A292-I296 VanDerWaalsContact O-N 3.15Å |
| 293 | R | 95.6 | Very high | 92.3 | Very high | 86 Ų | 86 | 81.4 Ų | 81.4 | 33% | 0.325 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.7 | -44.2 | 177.8 | -174.9 | 60.5 | 169.7 | -174.1 | -7.1 | 112 | E247 L277 M289 C290 L291 G295 I296 Q297 | E247-R293 IonicContact OE1-CZ 3.54Å; E247-R293 IonicContact OE1-NH1 2.88Å; E247-R293 IonicContact OE1-NH2 3.8Å; E247-R293 PolarHBondContact OE1-NH2 3.37Å; E247-R293 IonicContact OE2-CZ 3.93Å; E247-R293 IonicContact OE2-NH1 3.75Å; E247-R293 PolarHBondContact OE2-NH1 3.34Å; E247-R293 IonicContact OE2-NH2 3.97Å; L277-R293 HydrophobicContact CD1-CB 3.78Å; L277-R293 HydrophobicContact CD1-CG 3.59Å; M289-R293 VanDerWaalsContact O-CB 3.29Å; M289-R293 WeakPolarHBondContact O-CB 3.29Å; M289-R293 PolarHBondContact O-N 3.09Å; C290-R293 PolarHBondContact O-N 3.2Å; L291-R293 VanDerWaalsContact C-N 3.31Å; L291-R293 PolarHBondContact O-N 3.15Å; R293-G295 VanDerWaalsContact C-N 3.3Å; R293-G295 PolarHBondContact O-N 2.9Å; R293-I296 WeakPolarHBondContact O-CB 3.36Å; R293-I296 PolarHBondContact O-N 3.15Å; R293-I296 VanDerWaalsContact O-N 3.14Å; R293-Q297 WeakPolarHBondContact O-CG 3.47Å; R293-Q297 PolarHBondContact O-N 2.86Å |
| 294 | H | 94.7 | Very high | 92.9 | Very high | 61 Ų | 61 | 77.8 Ų | 77.8 | 28% | 0.282 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57 | -44.6 | 172.4 | 177.5 | 76.8 | 0 | 0 | 0 | 110.7 | L277 P279 C290 L291 I296 Q297 S298 | L277-H294 HydrophobicContact CB-CB 4.5Å; L277-H294 PolarHBondContact O-ND1 3.38Å; P279-H294 HydrophobicContact CG-CB 3.83Å; C290-H294 VanDerWaalsContact O-CB 3.3Å; C290-H294 WeakPolarHBondContact O-CB 3.48Å; C290-H294 PolarHBondContact O-N 3.2Å; L291-H294 PolarHBondContact O-N 3.01Å; H294-I296 VanDerWaalsContact C-N 3.29Å; H294-I296 PolarHBondContact O-N 2.96Å; H294-Q297 CarbonylContact O-C 3.57Å; H294-Q297 PolarHBondContact O-N 3.15Å; H294-Q297 VanDerWaalsContact O-N 3.07Å; H294-S298 PolarHBondContact CE1-OG 2.89Å; H294-S298 PolarHBondContact NE2-OG 3.44Å; H294-S298 WeakPolarHBondContact O-CB 3.46Å; H294-S298 PolarHBondContact O-N 2.98Å; H294-S298 PolarHBondContact O-OG 3.48Å |
| 295 | G | 95 | Very high | 93.5 | Very high | 44 Ų | 44 | 73.3 Ų | 73.3 | 45% | 0.454 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.9 | -37.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | L291 A292 R293 K299 | L291-G295 PolarHBondContact O-N 3.21Å; A292-G295 PolarHBondContact O-N 3.43Å; R293-G295 VanDerWaalsContact C-N 3.3Å; R293-G295 PolarHBondContact O-N 2.9Å; G295-K299 PolarHBondContact O-N 3.36Å |
| 296 | I | 95.7 | Very high | 93.9 | Very high | 80 Ų | 80 | 72 Ų | 72 | 41% | 0.41 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.6 | -46.4 | 172.8 | -65 | 168.6 | 0 | 0 | 0 | 110.8 | A292 R293 H294 K299 Y300 | A292-I296 WeakPolarHBondContact O-CG1 3.28Å; A292-I296 PolarHBondContact O-N 3.41Å; A292-I296 VanDerWaalsContact O-N 3.15Å; R293-I296 WeakPolarHBondContact O-CB 3.36Å; R293-I296 PolarHBondContact O-N 3.15Å; R293-I296 VanDerWaalsContact O-N 3.14Å; H294-I296 VanDerWaalsContact C-N 3.29Å; H294-I296 PolarHBondContact O-N 2.96Å; I296-K299 PolarHBondContact O-N 3.38Å; I296-Y300 HydrophobicContact CG2-CD2 3.93Å; I296-Y300 HydrophobicContact CG2-CE2 3.61Å; I296-Y300 VanDerWaalsContact O-CD2 3.25Å; I296-Y300 WeakPolarHBondContact O-CD2 3.29Å; I296-Y300 PolarHBondContact O-N 3.41Å |
| 297 | Q | 97.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 73.9 Ų | 73.9 | 4% | 0.042 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 179.5 | -71.6 | -179 | -33.1 | 0 | 0 | 111.4 | A246 Q275 L276 R293 H294 K299 Y300 L301 | A246-Q297 HydrophobicContact CB-CB 3.84Å; A246-Q297 HydrophobicContact CB-CG 3.98Å; Q275-Q297 PolarHBondContact O-NE2 2.64Å; L276-Q297 HydrophobicContact CD2-CB 4.41Å; R293-Q297 WeakPolarHBondContact O-CG 3.47Å; R293-Q297 PolarHBondContact O-N 2.86Å; H294-Q297 CarbonylContact O-C 3.57Å; H294-Q297 PolarHBondContact O-N 3.15Å; H294-Q297 VanDerWaalsContact O-N 3.07Å; Q297-K299 VanDerWaalsContact C-N 3.28Å; Q297-K299 PolarHBondContact O-N 3.15Å; Q297-Y300 PolarHBondContact O-N 2.81Å; Q297-Y300 VanDerWaalsContact O-N 3.1Å; Q297-L301 WeakPolarHBondContact O-CB 3.39Å; Q297-L301 PolarHBondContact O-N 3.28Å |
| 298 | S | 95.5 | Very high | 94.5 | Very high | 47 Ų | 47 | 71.7 Ų | 71.7 | 33% | 0.329 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.5 | -36.3 | 179.3 | -59.2 | 0 | 0 | 0 | 0 | 112.5 | H294 A302 | H294-S298 PolarHBondContact CE1-OG 2.89Å; H294-S298 PolarHBondContact NE2-OG 3.44Å; H294-S298 WeakPolarHBondContact O-CB 3.46Å; H294-S298 PolarHBondContact O-N 2.98Å; H294-S298 PolarHBondContact O-OG 3.48Å; S298-A302 PolarHBondContact O-N 3.42Å |
| 299 | K | 96.3 | Very high | 94.5 | Very high | 130 Ų | 130 | 69.6 Ų | 69.6 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.7 | -47.2 | 173.1 | -179.6 | -174.8 | 174.2 | -175 | 0 | 111.9 | G295 I296 Q297 Q303 | G295-K299 PolarHBondContact O-N 3.36Å; I296-K299 PolarHBondContact O-N 3.38Å; Q297-K299 VanDerWaalsContact C-N 3.28Å; Q297-K299 PolarHBondContact O-N 3.15Å; K299-Q303 PolarHBondContact O-N 2.91Å |
| 300 | Y | 96.7 | Very high | 94.5 | Very high | 43 Ų | 43 | 67 Ų | 67 | 17% | 0.169 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -74.6 | -31.4 | -180 | -68.8 | -61.8 | 0 | 0 | 0 | 112.4 | F248 L251 I296 Q297 Q303 I304 | F248-Y300 HydrophobicContact CB-CE1 3.78Å; F248-Y300 HydrophobicContact CB-CE2 4.44Å; F248-Y300 HydrophobicContact CD2-CE1 4.21Å; L251-Y300 HydrophobicContact CD2-CD1 4.43Å; I296-Y300 HydrophobicContact CG2-CD2 3.93Å; I296-Y300 HydrophobicContact CG2-CE2 3.61Å; I296-Y300 VanDerWaalsContact O-CD2 3.25Å; I296-Y300 WeakPolarHBondContact O-CD2 3.29Å; I296-Y300 PolarHBondContact O-N 3.41Å; Q297-Y300 PolarHBondContact O-N 2.81Å; Q297-Y300 VanDerWaalsContact O-N 3.1Å; Y300-Q303 WeakPolarHBondContact O-CB 3.34Å; Y300-Q303 PolarHBondContact O-N 3.26Å; Y300-I304 WeakPolarHBondContact O-CG1 3.45Å; Y300-I304 PolarHBondContact O-N 2.76Å |
| 301 | L | 95.7 | Very high | 94.6 | Very high | 25 Ų | 25 | 65.7 Ų | 65.7 | 13% | 0.131 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 175.1 | -178.1 | 61.2 | 0 | 0 | 0 | 111.3 | Q297 Q303 I304 Q305 L315 | Q297-L301 WeakPolarHBondContact O-CB 3.39Å; Q297-L301 PolarHBondContact O-N 3.28Å; L301-Q303 VanDerWaalsContact C-N 3.28Å; L301-Q303 PolarHBondContact O-N 3.01Å; L301-I304 PolarHBondContact O-N 2.83Å; L301-Q305 WeakPolarHBondContact O-CG 3.41Å; L301-Q305 PolarHBondContact O-N 3.1Å; L301-L315 HydrophobicContact CD1-CD2 3.47Å; L301-L315 VanDerWaalsContact CD1-CD2 3.47Å; L301-L315 HydrophobicContact CD2-CD1 4.08Å; L301-L315 HydrophobicContact CD2-CD2 4.36Å |
| 302 | A | 95.2 | Very high | 94.8 | Very high | 56 Ų | 56 | 62.8 Ų | 62.8 | 46% | 0.463 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S298 Q305 D306 | S298-A302 PolarHBondContact O-N 3.42Å; A302-Q305 PolarHBondContact O-N 3.49Å; A302-D306 WeakPolarHBondContact O-CB 3.4Å; A302-D306 PolarHBondContact O-N 2.94Å; A302-D306 VanDerWaalsContact O-N 3.08Å |
| 303 | Q | 94.5 | Very high | 94.9 | Very high | 77 Ų | 77 | 60.7 Ų | 60.7 | 36% | 0.36 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.8 | -40 | 174.8 | -67.6 | -179.5 | -11.3 | 0 | 0 | 112.5 | L251 K299 Y300 L301 Q305 D306 L307 | L251-Q303 HydrophobicContact CD2-CB 4.22Å; K299-Q303 PolarHBondContact O-N 2.91Å; Y300-Q303 WeakPolarHBondContact O-CB 3.34Å; Y300-Q303 PolarHBondContact O-N 3.26Å; L301-Q303 VanDerWaalsContact C-N 3.28Å; L301-Q303 PolarHBondContact O-N 3.01Å; Q303-Q305 VanDerWaalsContact C-N 3.32Å; Q303-Q305 PolarHBondContact O-N 3.29Å; Q303-D306 PolarHBondContact O-N 3.49Å; Q303-L307 WeakPolarHBondContact O-CB 3.37Å; Q303-L307 VanDerWaalsContact O-CG 3.25Å; Q303-L307 WeakPolarHBondContact O-CG 3.42Å; Q303-L307 PolarHBondContact O-N 3.03Å |
| 304 | I | 94.6 | Very high | 95 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 175.5 | -70.3 | 163.9 | 0 | 0 | 0 | 110.2 | L251 V273 Y300 L301 L307 Y308 I313 | L251-I304 HydrophobicContact CD1-CD1 4.18Å; L251-I304 HydrophobicContact CD1-CG1 3.44Å; L251-I304 VanDerWaalsContact CD1-CG1 3.44Å; L251-I304 HydrophobicContact CD2-CG1 4.17Å; L251-I304 HydrophobicContact CG-CG1 4.38Å; V273-I304 HydrophobicContact CG1-CD1 4.41Å; V273-I304 HydrophobicContact CG2-CD1 4.19Å; V273-I304 HydrophobicContact CG2-CG2 4.32Å; Y300-I304 WeakPolarHBondContact O-CG1 3.45Å; Y300-I304 PolarHBondContact O-N 2.76Å; L301-I304 PolarHBondContact O-N 2.83Å; I304-L307 PolarHBondContact O-N 3.07Å; I304-Y308 HydrophobicContact CG2-CD2 4.1Å; I304-Y308 WeakPolarHBondContact O-CB 3.26Å; I304-Y308 WeakPolarHBondContact O-CD2 3.3Å; I304-Y308 PolarHBondContact O-N 3.47Å; I304-I313 HydrophobicContact CG2-CD1 4.01Å; I304-I313 HydrophobicContact CG2-CG1 4.34Å; I304-I313 HydrophobicContact CG2-CG2 4.11Å |
| 305 | Q | 93.5 | Very high | 95.1 | Very high | 98 Ų | 98 | 55.8 Ų | 55.8 | 46% | 0.458 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 179.7 | -72.1 | 174.4 | -23.8 | 0 | 0 | 112.7 | L301 A302 Q303 E309 I313 | L301-Q305 WeakPolarHBondContact O-CG 3.41Å; L301-Q305 PolarHBondContact O-N 3.1Å; A302-Q305 PolarHBondContact O-N 3.49Å; Q303-Q305 VanDerWaalsContact C-N 3.32Å; Q303-Q305 PolarHBondContact O-N 3.29Å; Q305-E309 WeakPolarHBondContact O-CG 3.32Å; Q305-E309 PolarHBondContact O-N 3.42Å; Q305-I313 HydrophobicContact CB-CD1 4.46Å; Q305-I313 HydrophobicContact CG-CD1 4.11Å |
| 306 | D | 93.6 | Very high | 95.2 | Very high | 117 Ų | 117 | 53.7 Ų | 53.7 | 63% | 0.626 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -72.5 | -38.6 | 177.4 | -170.9 | 54.6 | 0 | 0 | 0 | 112.5 | A302 Q303 | A302-D306 WeakPolarHBondContact O-CB 3.4Å; A302-D306 PolarHBondContact O-N 2.94Å; A302-D306 VanDerWaalsContact O-N 3.08Å; Q303-D306 PolarHBondContact O-N 3.49Å |
| 307 | L | 92.8 | Very high | 95.3 | Very high | 92 Ų | 92 | 50 Ų | 50 | 48% | 0.482 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -76.1 | -29.2 | -179.1 | -72.2 | 172 | 0 | 0 | 0 | 113.7 | Q303 I304 | Q303-L307 WeakPolarHBondContact O-CB 3.37Å; Q303-L307 VanDerWaalsContact O-CG 3.25Å; Q303-L307 WeakPolarHBondContact O-CG 3.42Å; Q303-L307 PolarHBondContact O-N 3.03Å; I304-L307 PolarHBondContact O-N 3.07Å |
| 308 | Y | 93.8 | Very high | 95.2 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 6% | 0.055 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | 45.3 | -170.8 | -55.4 | -72.7 | 0 | 0 | 0 | 111.8 | L251 E255 V258 I271 I304 D310 F311 | L251-Y308 HydrophobicContact CD1-CE2 4.11Å; E255-Y308 WeakPolarHBondContact CA-OH 3.45Å; E255-Y308 WeakPolarHBondContact CB-OH 3.5Å; V258-Y308 HydrophobicContact CG1-CE1 4.34Å; V258-Y308 HydrophobicContact CG2-CE1 4.31Å; I271-Y308 HydrophobicContact CD1-CD1 3.85Å; I271-Y308 HydrophobicContact CD1-CD2 3.68Å; I271-Y308 HydrophobicContact CD1-CE1 4.18Å; I271-Y308 HydrophobicContact CD1-CE2 4.03Å; I271-Y308 HydrophobicContact CD1-CG 3.59Å; I304-Y308 HydrophobicContact CG2-CD2 4.1Å; I304-Y308 WeakPolarHBondContact O-CB 3.26Å; I304-Y308 WeakPolarHBondContact O-CD2 3.3Å; I304-Y308 PolarHBondContact O-N 3.47Å; Y308-D310 PolarHBondContact O-N 3.43Å; Y308-F311 AromaticContact CD1-CD2 3.89Å; Y308-F311 HydrophobicContact CD1-CD2 3.89Å; Y308-F311 AromaticContact CD1-CE2 3.82Å; Y308-F311 HydrophobicContact CD1-CE2 3.82Å; Y308-F311 HydrophobicContact CD1-CG 4.36Å; Y308-F311 HydrophobicContact CD1-CZ 4.19Å; Y308-F311 HydrophobicContact CG-CD2 4.28Å; Y308-F311 WeakPolarHBondContact O-CB 3.29Å; Y308-F311 PolarHBondContact O-N 2.85Å |
| 309 | E | 91.9 | Very high | 95.2 | Very high | 141 Ų | 141 | 53.7 Ų | 53.7 | 66% | 0.659 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -32.2 | 178.6 | -65.9 | -173.4 | 160.3 | 0 | 0 | 112.9 | M1 Q305 F311 | M1-E309 PolarHBondContact N-O 3.47Å; Q305-E309 WeakPolarHBondContact O-CG 3.32Å; Q305-E309 PolarHBondContact O-N 3.42Å; E309-F311 VanDerWaalsContact C-N 3.28Å; E309-F311 PolarHBondContact O-N 2.87Å |
| 310 | D | 93.2 | Very high | 94.9 | Very high | 107 Ų | 107 | 55 Ų | 55 | 57% | 0.572 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 4.8 | 178.2 | 62.6 | -35.9 | 0 | 0 | 0 | 114 | Y308 | Y308-D310 PolarHBondContact O-N 3.43Š|
| 311 | F | 95.7 | Very high | 94.8 | Very high | 15 Ų | 15 | 57 Ų | 57 | 7% | 0.066 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -105.8 | 157.7 | 175.8 | -70.7 | -117.5 | 0 | 0 | 0 | 111.9 | M1 V258 T268 Q269 I271 Y308 E309 I313 | M1-F311 WeakPolarHBondContact CB-O 3.35Å; M1-F311 PolarHBondContact N-O 3.01Å; V258-F311 HydrophobicContact CG1-CZ 4.06Å; T268-F311 HydrophobicContact CG2-CE1 4.09Å; T268-F311 HydrophobicContact CG2-CZ 4.28Å; T268-F311 WeakPolarHBondContact O-CE1 3.38Å; T268-F311 VanDerWaalsContact O-CZ 3.32Å; T268-F311 WeakPolarHBondContact O-CZ 3.44Å; Q269-F311 WeakPolarHBondContact O-CA 3.48Å; I271-F311 HydrophobicContact CD1-CD1 3.85Å; I271-F311 HydrophobicContact CD1-CE1 4.31Å; I271-F311 HydrophobicContact CD1-CG 4.24Å; I271-F311 HydrophobicContact CG1-CB 4.5Å; I271-F311 HydrophobicContact CG1-CD1 3.7Å; I271-F311 HydrophobicContact CG1-CE1 4.33Å; I271-F311 HydrophobicContact CG1-CG 4.37Å; Y308-F311 AromaticContact CD1-CD2 3.89Å; Y308-F311 HydrophobicContact CD1-CD2 3.89Å; Y308-F311 AromaticContact CD1-CE2 3.82Å; Y308-F311 HydrophobicContact CD1-CE2 3.82Å; Y308-F311 HydrophobicContact CD1-CG 4.36Å; Y308-F311 HydrophobicContact CD1-CZ 4.19Å; Y308-F311 HydrophobicContact CG-CD2 4.28Å; Y308-F311 WeakPolarHBondContact O-CB 3.29Å; Y308-F311 PolarHBondContact O-N 2.85Å; E309-F311 VanDerWaalsContact C-N 3.28Å; E309-F311 PolarHBondContact O-N 2.87Å; F311-I313 HydrophobicContact CB-CG1 4.41Å; F311-I313 PolarHBondContact O-N 2.99Å |
| 312 | H | 96.1 | Very high | 94.8 | Very high | 16 Ų | 16 | 62.1 Ų | 62.1 | 7% | 0.074 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 105.5 | 160.5 | -66.1 | -80.6 | 0 | 0 | 0 | 108.8 | M1 D2 S7 Q269 N270 I271 | M1-H312 WeakPolarHBondContact CB-ND1 3.48Å; M1-H312 VanDerWaalsContact SD-CD2 3.52Å; M1-H312 PolarHBondContact SD-NE2 3.1Å; M1-H312 VanDerWaalsContact SD-NE2 3.43Å; D2-H312 PolarHBondContact O-ND1 3.43Å; S7-H312 PolarHBondContact OG-CE1 3.15Å; S7-H312 PolarHBondContact OG-NE2 2.88Å; Q269-H312 PolarHBondContact O-N 3.31Å; N270-H312 WeakPolarHBondContact OD1-CB 3.46Å; I271-H312 PolarHBondContact N-O 2.87Å |
| 313 | I | 96.3 | Very high | 94.8 | Very high | 17 Ų | 17 | 60.4 Ų | 60.4 | 9% | 0.087 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 110.1 | 178.1 | -58.6 | 162.4 | 0 | 0 | 0 | 108.2 | P3 I271 V273 I304 Q305 F311 L315 | P3-I313 VanDerWaalsContact CA-O 3.27Å; P3-I313 WeakPolarHBondContact CA-O 3.3Å; P3-I313 WeakPolarHBondContact CB-O 3.1Å; I271-I313 WeakPolarHBondContact O-CA 3.24Å; V273-I313 HydrophobicContact CG2-CG2 3.87Å; I304-I313 HydrophobicContact CG2-CD1 4.01Å; I304-I313 HydrophobicContact CG2-CG1 4.34Å; I304-I313 HydrophobicContact CG2-CG2 4.11Å; Q305-I313 HydrophobicContact CB-CD1 4.46Å; Q305-I313 HydrophobicContact CG-CD1 4.11Å; F311-I313 HydrophobicContact CB-CG1 4.41Å; F311-I313 PolarHBondContact O-N 2.99Å; I313-L315 HydrophobicContact CG2-CD2 3.9Å |
| 314 | V | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 129.8 | 179.5 | -172.4 | 0 | 0 | 0 | 0 | 109.6 | L5 I271 L272 V273 L316 | L5-V314 HydrophobicContact CD2-CG2 3.81Å; L5-V314 HydrophobicContact CG-CG2 3.99Å; I271-V314 PolarHBondContact O-N 3.14Å; L272-V314 HydrophobicContact CD2-CB 3.49Å; L272-V314 VanDerWaalsContact CD2-CB 3.49Å; L272-V314 HydrophobicContact CD2-CG1 4.11Å; L272-V314 HydrophobicContact CD2-CG2 3.73Å; V273-V314 PolarHBondContact N-O 2.85Å; V314-L316 HydrophobicContact CG1-CD2 4.18Å; V314-L316 HydrophobicContact CG1-CG 4.48Å |
| 315 | L | 96.8 | Very high | 94.8 | Very high | 44 Ų | 44 | 62.5 Ų | 62.5 | 23% | 0.23 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 117 | -176.6 | -52.8 | -172.9 | 0 | 0 | 0 | 109.4 | V273 L276 L301 I313 | V273-L315 HydrophobicContact CB-CD2 4.16Å; V273-L315 HydrophobicContact CG2-CD2 4.28Å; L276-L315 HydrophobicContact CD1-CB 3.61Å; L276-L315 HydrophobicContact CD1-CD2 3.87Å; L276-L315 HydrophobicContact CD1-CG 4.19Å; L301-L315 HydrophobicContact CD1-CD2 3.47Å; L301-L315 VanDerWaalsContact CD1-CD2 3.47Å; L301-L315 HydrophobicContact CD2-CD1 4.08Å; L301-L315 HydrophobicContact CD2-CD2 4.36Å; I313-L315 HydrophobicContact CG2-CD2 3.9Å |
| 316 | L | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 129.3 | -178 | -60.8 | 174 | 0 | 0 | 0 | 110.9 | L272 V273 Q275 L276 V314 F332 L336 | L272-L316 HydrophobicContact CB-CD1 4.26Å; L272-L316 HydrophobicContact CD1-CD1 4.46Å; V273-L316 PolarHBondContact O-N 3.24Å; Q275-L316 PolarHBondContact N-O 3.06Å; L276-L316 WeakPolarHBondContact CB-O 3.41Å; L276-L316 PolarHBondContact N-O 2.7Å; L276-L316 VanDerWaalsContact N-O 3.1Å; V314-L316 HydrophobicContact CG1-CD2 4.18Å; V314-L316 HydrophobicContact CG1-CG 4.48Å; L316-F332 HydrophobicContact CB-CZ 4.05Å; L316-F332 HydrophobicContact CD1-CE1 4.14Å; L316-F332 HydrophobicContact CD1-CZ 4.06Å; L316-F332 HydrophobicContact CD2-CZ 4.45Å; L316-F332 HydrophobicContact CG-CZ 4.43Å; L316-L336 HydrophobicContact CD1-CD2 3.98Å; L316-L336 HydrophobicContact CD2-CD2 4.01Å |
| 317 | P | 96.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.013 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 150.3 | -178.2 | 30.6 | -35.9 | 0 | 0 | 0 | 111.9 | L276 F278 L319 Y335 Y340 | L276-P317 CarbonylContact O-C 3.58Å; L276-P317 WeakPolarHBondContact O-CA 3.42Å; F278-P317 HydrophobicContact CD2-CB 4.02Å; F278-P317 HydrophobicContact CE2-CB 4.01Å; P317-L319 HydrophobicContact CG-CD2 4.2Å; P317-L319 PolarHBondContact O-N 3.07Å; P317-Y335 HydrophobicContact CG-CD2 4.06Å; P317-Y335 HydrophobicContact CG-CE2 4.05Å; P317-Y340 HydrophobicContact CB-CD1 3.75Å; P317-Y340 HydrophobicContact CB-CD2 4.43Å; P317-Y340 HydrophobicContact CB-CE1 3.67Å; P317-Y340 HydrophobicContact CB-CE2 4.38Å; P317-Y340 HydrophobicContact CB-CG 4.12Å; P317-Y340 HydrophobicContact CG-CD1 3.92Å; P317-Y340 HydrophobicContact CG-CD2 3.84Å; P317-Y340 HydrophobicContact CG-CE1 4.14Å; P317-Y340 HydrophobicContact CG-CE2 4.08Å; P317-Y340 HydrophobicContact CG-CG 3.74Å |
| 318 | L | 96.3 | Very high | 95.2 | Very high | 88 Ų | 88 | 56.3 Ų | 56.3 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 120.6 | 159.4 | -176.7 | 66.1 | 0 | 0 | 0 | 108.7 | Q275 L276 L277 | Q275-L318 HydrophobicContact CB-CB 4.46Å; Q275-L318 HydrophobicContact CB-CD1 4.04Å; Q275-L318 HydrophobicContact CG-CD1 4.03Å; L276-L318 PolarHBondContact O-N 3.22Å; L277-L318 HydrophobicContact CD2-CB 4.28Å; L277-L318 HydrophobicContact CD2-CD2 3.71Å; L277-L318 HydrophobicContact CG-CD2 4.45Å |
| 319 | L | 94.8 | Very high | 95.4 | Very high | 46 Ų | 46 | 55.7 Ų | 55.7 | 24% | 0.241 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -85.1 | 155.7 | 171.8 | -59.7 | -174.1 | 0 | 0 | 0 | 111.1 | P317 H321 V323 F332 | P317-L319 HydrophobicContact CG-CD2 4.2Å; P317-L319 PolarHBondContact O-N 3.07Å; L319-H321 PolarHBondContact O-N 3.49Å; L319-V323 HydrophobicContact CD1-CG2 3.73Å; L319-F332 HydrophobicContact CD1-CD2 3.68Å; L319-F332 HydrophobicContact CD1-CE2 4.3Å; L319-F332 HydrophobicContact CG-CD2 4.2Å; L319-F332 HydrophobicContact CG-CE2 4.37Å |
| 320 | D | 91.3 | Very high | 95.6 | Very high | 156 Ų | 156 | 51.8 Ų | 51.8 | 83% | 0.834 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -80.3 | -0.3 | 178.4 | 64.8 | -15.4 | 0 | 0 | 0 | 113.7 | ||
| 321 | H | 94.5 | Very high | 95.8 | Very high | 87 Ų | 87 | 51.8 Ų | 51.8 | 40% | 0.403 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -140.3 | 162.1 | 177.1 | 59.4 | -79.5 | 0 | 0 | 0 | 110.4 | L319 E328 | L319-H321 PolarHBondContact O-N 3.49Å; H321-E328 IonicContact NE2-OE2 3.66Å; H321-E328 PolarHBondContact NE2-OE2 3.37Å |
| 322 | E | 94.1 | Very high | 95.8 | Very high | 131 Ų | 131 | 51.4 Ų | 51.4 | 61% | 0.612 | 25% | 0.249 | S | C | * | . | trans | -73.8 | 135.9 | 174.2 | -64 | -175 | 169.5 | 0 | 0 | 110.9 | R324 | E322-R324 HydrophobicContact CB-CG 4.22Å; E322-R324 PolarHBondContact O-N 2.96Å; E322-R324 IonicContact OE2-CZ 3.96Å; E322-R324 IonicContact OE2-NE 3.38Å; E322-R324 PolarHBondContact OE2-NE 3.15Å; E322-R324 IonicContact OE2-NH2 3.55Å; E322-R324 PolarHBondContact OE2-NH2 3.35Å | ||
| 323 | V | 95.4 | Very high | 95.9 | Very high | 20 Ų | 20 | 50.7 Ų | 50.7 | 12% | 0.121 | 25% | 0.246 | C | C | . | . | trans | -76.5 | 92.6 | 174.7 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | T29 L319 E328 I329 F332 | T29-V323 HydrophobicContact CG2-CB 3.74Å; T29-V323 HydrophobicContact CG2-CG1 3.84Å; T29-V323 HydrophobicContact CG2-CG2 4.11Å; L319-V323 HydrophobicContact CD1-CG2 3.73Å; V323-E328 HydrophobicContact CG1-CB 4.15Å; V323-I329 HydrophobicContact CG1-CG1 4.03Å; V323-F332 HydrophobicContact CG1-CB 3.94Å; V323-F332 HydrophobicContact CG1-CG 4.4Å; V323-F332 HydrophobicContact CG2-CB 4.18Å; V323-F332 HydrophobicContact CG2-CD2 4.02Å; V323-F332 HydrophobicContact CG2-CG 4.04Å | ||
| 324 | R | 95 | Very high | 95.9 | Very high | 110 Ų | 110 | 55.1 Ų | 55.1 | 42% | 0.415 | 27% | 0.266 | S | S | . | . | trans | -129.5 | 143.7 | 176.7 | -63.2 | -166.5 | -168.7 | -144.4 | 0.6 | 112.3 | E322 E328 | E322-R324 HydrophobicContact CB-CG 4.22Å; E322-R324 PolarHBondContact O-N 2.96Å; E322-R324 IonicContact OE2-CZ 3.96Å; E322-R324 IonicContact OE2-NE 3.38Å; E322-R324 PolarHBondContact OE2-NE 3.15Å; E322-R324 IonicContact OE2-NH2 3.55Å; E322-R324 PolarHBondContact OE2-NH2 3.35Å; R324-E328 WeakPolarHBondContact O-CB 3.42Å; R324-E328 WeakPolarHBondContact O-CG 3.17Å | ||
| 325 | G | 95.3 | Very high | 95.9 | Very high | 12 Ų | 12 | 58.3 Ų | 58.3 | 12% | 0.124 | 28% | 0.278 | C | S | . | . | S | Bend | trans | 84.8 | 153.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A59 E327 E328 I329 | A59-G325 PolarHBondContact O-N 3.39Å; G325-E327 VanDerWaalsContact C-N 3.27Å; G325-E327 PolarHBondContact O-N 3.09Å; G325-E328 PolarHBondContact O-N 2.96Å; G325-I329 PolarHBondContact O-N 2.75Å; G325-I329 VanDerWaalsContact O-N 3.07Å |
| 326 | T | 96.1 | Very high | 95.8 | Very high | 17 Ų | 17 | 56.2 Ų | 56.2 | 10% | 0.104 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -53.9 | -39.8 | -175.4 | -65.6 | 0 | 0 | 0 | 0 | 113.8 | E72 F74 I329 K330 | E72-T326 WeakPolarHBondContact O-CB 3.33Å; E72-T326 WeakPolarHBondContact O-CG2 3.45Å; E72-T326 PolarHBondContact O-OG1 3.23Å; F74-T326 HydrophobicContact CD2-CG2 3.91Å; F74-T326 HydrophobicContact CE2-CG2 3.37Å; F74-T326 HydrophobicContact CZ-CG2 4.04Å; T326-I329 PolarHBondContact O-N 2.73Å; T326-K330 HydrophobicContact CG2-CD 4.09Å; T326-K330 VanDerWaalsContact CG2-CE 3.45Å; T326-K330 HydrophobicContact CG2-CG 4.48Å; T326-K330 WeakPolarHBondContact O-CB 3.5Å; T326-K330 VanDerWaalsContact O-CG 3.28Å; T326-K330 WeakPolarHBondContact O-CG 3.03Å; T326-K330 PolarHBondContact O-N 3.02Å |
| 327 | E | 96.3 | Very high | 95.6 | Very high | 110 Ų | 110 | 57.1 Ų | 57.1 | 51% | 0.514 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.6 | -39 | -177.5 | -64.9 | -55.6 | 117 | 0 | 0 | 112.8 | G325 K330 K331 | G325-E327 VanDerWaalsContact C-N 3.27Å; G325-E327 PolarHBondContact O-N 3.09Å; E327-K330 PolarHBondContact O-N 2.78Å; E327-K330 IonicContact OE1-NZ 3.73Å; E327-K330 PolarHBondContact OE1-NZ 3.42Å; E327-K331 WeakPolarHBondContact O-CG 3.49Å; E327-K331 PolarHBondContact O-N 3.39Å |
| 328 | E | 96.3 | Very high | 95.5 | Very high | 50 Ų | 50 | 61.3 Ų | 61.3 | 23% | 0.234 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.8 | -37.5 | 175.7 | -63.4 | -50.5 | 132.6 | 0 | 0 | 111.6 | H321 V323 R324 G325 K330 K331 F332 | H321-E328 IonicContact NE2-OE2 3.66Å; H321-E328 PolarHBondContact NE2-OE2 3.37Å; V323-E328 HydrophobicContact CG1-CB 4.15Å; R324-E328 WeakPolarHBondContact O-CB 3.42Å; R324-E328 WeakPolarHBondContact O-CG 3.17Å; G325-E328 PolarHBondContact O-N 2.96Å; E328-K330 VanDerWaalsContact C-N 3.32Å; E328-K330 PolarHBondContact O-N 3.06Å; E328-K331 PolarHBondContact O-N 3.17Å; E328-K331 IonicContact OE1-NZ 2.72Å; E328-K331 PolarHBondContact OE1-NZ 2.06Å; E328-K331 IonicContact OE2-NZ 3.47Å; E328-F332 WeakPolarHBondContact O-CB 3.49Å; E328-F332 PolarHBondContact O-N 3.26Å |
| 329 | I | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 172.3 | -70.2 | 169.7 | 0 | 0 | 0 | 110.6 | C32 S33 A36 A59 F60 V323 G325 T326 S333 | C32-I329 HydrophobicContact CB-CD1 4.03Å; C32-I329 HydrophobicContact CB-CG2 4.13Å; S33-I329 PolarHBondContact OG-O 3.5Å; A36-I329 HydrophobicContact CB-CG2 4.05Å; A59-I329 HydrophobicContact CB-CD1 4.12Å; A59-I329 VanDerWaalsContact O-CD1 3.25Å; A59-I329 WeakPolarHBondContact O-CD1 3.43Å; F60-I329 HydrophobicContact CD1-CD1 3.42Å; F60-I329 VanDerWaalsContact CD1-CD1 3.42Å; F60-I329 HydrophobicContact CD2-CD1 4.42Å; F60-I329 HydrophobicContact CE1-CD1 3.43Å; F60-I329 VanDerWaalsContact CE1-CD1 3.43Å; F60-I329 HydrophobicContact CE1-CG2 4.16Å; F60-I329 HydrophobicContact CE2-CD1 4.44Å; F60-I329 HydrophobicContact CG-CD1 3.95Å; F60-I329 HydrophobicContact CZ-CD1 3.97Å; V323-I329 HydrophobicContact CG1-CG1 4.03Å; G325-I329 PolarHBondContact O-N 2.75Å; G325-I329 VanDerWaalsContact O-N 3.07Å; T326-I329 PolarHBondContact O-N 2.73Å; I329-S333 WeakPolarHBondContact O-CB 3.28Å; I329-S333 PolarHBondContact O-N 3.25Å; I329-S333 PolarHBondContact O-OG 3.41Å |
| 330 | K | 96.7 | Very high | 95.1 | Very high | 59 Ų | 59 | 60.8 Ų | 60.8 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 176.7 | -77 | 171.1 | -176.4 | 168.3 | 0 | 111.5 | G73 F74 T326 E327 E328 S333 | G73-K330 PolarHBondContact O-NZ 3.38Å; F74-K330 HydrophobicContact CE1-CG 4.26Å; F74-K330 HydrophobicContact CZ-CD 4.31Å; F74-K330 HydrophobicContact CZ-CG 3.8Å; T326-K330 HydrophobicContact CG2-CD 4.09Å; T326-K330 VanDerWaalsContact CG2-CE 3.45Å; T326-K330 HydrophobicContact CG2-CG 4.48Å; T326-K330 WeakPolarHBondContact O-CB 3.5Å; T326-K330 VanDerWaalsContact O-CG 3.28Å; T326-K330 WeakPolarHBondContact O-CG 3.03Å; T326-K330 PolarHBondContact O-N 3.02Å; E327-K330 PolarHBondContact O-N 2.78Å; E327-K330 IonicContact OE1-NZ 3.73Å; E327-K330 PolarHBondContact OE1-NZ 3.42Å; E328-K330 VanDerWaalsContact C-N 3.32Å; E328-K330 PolarHBondContact O-N 3.06Å; K330-S333 PolarHBondContact O-N 3.44Å; K330-S333 PolarHBondContact O-OG 2.78Å |
| 331 | K | 96.2 | Very high | 94.8 | Very high | 107 Ų | 107 | 61.5 Ų | 61.5 | 47% | 0.465 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.7 | -54.7 | 176.9 | -71.6 | 172.7 | -171.5 | 167.9 | 0 | 111.5 | E327 E328 S333 Q334 | E327-K331 WeakPolarHBondContact O-CG 3.49Å; E327-K331 PolarHBondContact O-N 3.39Å; E328-K331 PolarHBondContact O-N 3.17Å; E328-K331 IonicContact OE1-NZ 2.72Å; E328-K331 PolarHBondContact OE1-NZ 2.06Å; E328-K331 IonicContact OE2-NZ 3.47Å; K331-S333 PolarHBondContact O-N 3.07Å; K331-Q334 WeakPolarHBondContact O-CB 3.38Å; K331-Q334 WeakPolarHBondContact O-CG 3.1Å; K331-Q334 PolarHBondContact O-N 3.01Å |
| 332 | F | 96.9 | Very high | 94.1 | Very high | 7 Ų | 7 | 63.8 Ų | 63.8 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.9 | -35.6 | 179.8 | -173.3 | -101.8 | 0 | 0 | 0 | 111.9 | T29 S33 L316 L319 V323 E328 Q334 Y335 | T29-F332 HydrophobicContact CG2-CD1 3.87Å; T29-F332 HydrophobicContact CG2-CE1 3.92Å; S33-F332 WeakPolarHBondContact OG-CD1 3.25Å; L316-F332 HydrophobicContact CB-CZ 4.05Å; L316-F332 HydrophobicContact CD1-CE1 4.14Å; L316-F332 HydrophobicContact CD1-CZ 4.06Å; L316-F332 HydrophobicContact CD2-CZ 4.45Å; L316-F332 HydrophobicContact CG-CZ 4.43Å; L319-F332 HydrophobicContact CD1-CD2 3.68Å; L319-F332 HydrophobicContact CD1-CE2 4.3Å; L319-F332 HydrophobicContact CG-CD2 4.2Å; L319-F332 HydrophobicContact CG-CE2 4.37Å; V323-F332 HydrophobicContact CG1-CB 3.94Å; V323-F332 HydrophobicContact CG1-CG 4.4Å; V323-F332 HydrophobicContact CG2-CB 4.18Å; V323-F332 HydrophobicContact CG2-CD2 4.02Å; V323-F332 HydrophobicContact CG2-CG 4.04Å; E328-F332 WeakPolarHBondContact O-CB 3.49Å; E328-F332 PolarHBondContact O-N 3.26Å; F332-Q334 PolarHBondContact O-N 2.91Å; F332-Q334 VanDerWaalsContact O-N 3.14Å; F332-Y335 AromaticContact CD2-CD2 4Å; F332-Y335 HydrophobicContact CD2-CD2 4Å; F332-Y335 HydrophobicContact CD2-CE2 4.36Å; F332-Y335 HydrophobicContact CE2-CD2 4.41Å; F332-Y335 WeakPolarHBondContact O-CD2 3.48Å; F332-Y335 PolarHBondContact O-N 3.41Å; F332-Y335 VanDerWaalsContact O-N 3.15Å |
| 333 | S | 96.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.014 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.8 | -21 | 179.1 | 80.7 | 0 | 0 | 0 | 0 | 114.4 | S33 Q37 I329 K330 K331 Y335 L336 | S33-S333 VanDerWaalsContact O-CB 3.26Å; S33-S333 WeakPolarHBondContact O-CB 3.27Å; Q37-S333 WeakPolarHBondContact CG-O 3.49Å; Q37-S333 PolarHBondContact NE2-O 3.49Å; Q37-S333 PolarHBondContact NE2-OG 3.2Å; I329-S333 WeakPolarHBondContact O-CB 3.28Å; I329-S333 PolarHBondContact O-N 3.25Å; I329-S333 PolarHBondContact O-OG 3.41Å; K330-S333 PolarHBondContact O-N 3.44Å; K330-S333 PolarHBondContact O-OG 2.78Å; K331-S333 PolarHBondContact O-N 3.07Å; S333-Y335 PolarHBondContact O-N 3.22Å; S333-L336 WeakPolarHBondContact O-CB 3.42Å; S333-L336 PolarHBondContact O-N 3.47Å; S333-L336 VanDerWaalsContact O-N 3.15Å |
| 334 | Q | 96.6 | Very high | 94 | Very high | 110 Ų | 110 | 62.6 Ų | 62.6 | 51% | 0.514 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.2 | -30.9 | 177.8 | -63.2 | 179.8 | 3.5 | 0 | 0 | 111.4 | K331 F332 L336 S337 T338 | K331-Q334 WeakPolarHBondContact O-CB 3.38Å; K331-Q334 WeakPolarHBondContact O-CG 3.1Å; K331-Q334 PolarHBondContact O-N 3.01Å; F332-Q334 PolarHBondContact O-N 2.91Å; F332-Q334 VanDerWaalsContact O-N 3.14Å; Q334-L336 PolarHBondContact O-N 2.85Å; Q334-S337 PolarHBondContact O-N 2.72Å; Q334-S337 VanDerWaalsContact O-N 3.09Å; Q334-S337 PolarHBondContact O-OG 2.95Å; Q334-T338 PolarHBondContact O-N 2.98Å |
| 335 | Y | 96.5 | Very high | 94 | Very high | 66 Ų | 66 | 59.9 Ų | 59.9 | 26% | 0.259 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.5 | -12.7 | 177.8 | -54.8 | -45.9 | 0 | 0 | 0 | 113.8 | P317 F332 S333 T338 Y340 | P317-Y335 HydrophobicContact CG-CD2 4.06Å; P317-Y335 HydrophobicContact CG-CE2 4.05Å; F332-Y335 AromaticContact CD2-CD2 4Å; F332-Y335 HydrophobicContact CD2-CD2 4Å; F332-Y335 HydrophobicContact CD2-CE2 4.36Å; F332-Y335 HydrophobicContact CE2-CD2 4.41Å; F332-Y335 WeakPolarHBondContact O-CD2 3.48Å; F332-Y335 PolarHBondContact O-N 3.41Å; F332-Y335 VanDerWaalsContact O-N 3.15Å; S333-Y335 PolarHBondContact O-N 3.22Å; Y335-T338 CarbonylContact C-O 3.52Å; Y335-T338 VanDerWaalsContact CA-O 3.28Å; Y335-T338 WeakPolarHBondContact CA-O 3.48Å; Y335-Y340 AromaticContact CD1-CD2 3.9Å; Y335-Y340 HydrophobicContact CD1-CD2 3.9Å; Y335-Y340 HydrophobicContact CD1-CG 4.41Å; Y335-Y340 AromaticContact CE1-CD2 3.47Å; Y335-Y340 HydrophobicContact CE1-CD2 3.47Å; Y335-Y340 VanDerWaalsContact CE1-CD2 3.47Å; Y335-Y340 HydrophobicContact CE1-CE2 4.23Å; Y335-Y340 HydrophobicContact CE1-CG 4.4Å; Y335-Y340 HydrophobicContact CE2-CD2 4.45Å; Y335-Y340 AromaticContact CZ-CD2 3.76Å |
| 336 | L | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -77.7 | -31.6 | 171.9 | -60.5 | 176.5 | 0 | 0 | 0 | 112.3 | L5 L34 L272 L316 S333 Q334 | L5-L336 HydrophobicContact CD1-CB 4.39Å; L5-L336 HydrophobicContact CD1-CD1 4.47Å; L5-L336 HydrophobicContact CD1-CD2 4.1Å; L5-L336 PolarHBondContact N-O 3.19Å; L34-L336 HydrophobicContact CB-CD1 4.18Å; L272-L336 HydrophobicContact CD1-CD2 3.91Å; L272-L336 HydrophobicContact CD2-CD2 3.82Å; L316-L336 HydrophobicContact CD1-CD2 3.98Å; L316-L336 HydrophobicContact CD2-CD2 4.01Å; S333-L336 WeakPolarHBondContact O-CB 3.42Å; S333-L336 PolarHBondContact O-N 3.47Å; S333-L336 VanDerWaalsContact O-N 3.15Å; Q334-L336 PolarHBondContact O-N 2.85Å |
| 337 | S | 93.5 | Very high | 93.8 | Very high | 20 Ų | 20 | 65.6 Ų | 65.6 | 14% | 0.14 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -98.3 | -29.6 | -178.3 | 53.3 | 0 | 0 | 0 | 0 | 113.1 | T4 N6 Q334 | T4-S337 WeakPolarHBondContact CG2-O 3.32Å; N6-S337 PolarHBondContact ND2-O 3.39Å; N6-S337 VanDerWaalsContact OD1-CA 3.28Å; N6-S337 WeakPolarHBondContact OD1-CA 3.49Å; N6-S337 WeakPolarHBondContact OD1-CB 3.42Å; N6-S337 PolarHBondContact OD1-O 3.37Å; Q334-S337 PolarHBondContact O-N 2.72Å; Q334-S337 VanDerWaalsContact O-N 3.09Å; Q334-S337 PolarHBondContact O-OG 2.95Å |
| 338 | T | 94.4 | Very high | 93.6 | Very high | 90 Ų | 90 | 62.7 Ų | 62.7 | 55% | 0.552 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -126.2 | 120.3 | -177.6 | -54.6 | 0 | 0 | 0 | 0 | 108.3 | Q334 Y335 Y340 | Q334-T338 PolarHBondContact O-N 2.98Å; Y335-T338 CarbonylContact C-O 3.52Å; Y335-T338 VanDerWaalsContact CA-O 3.28Å; Y335-T338 WeakPolarHBondContact CA-O 3.48Å; T338-Y340 PolarHBondContact O-N 2.95Å |
| 339 | P | 92.7 | Very high | 93.4 | Very high | 58 Ų | 58 | 63.6 Ų | 63.6 | 38% | 0.377 | 32% | 0.324 | S | S | . | . | trans | -54.4 | 137.4 | 179.9 | -26.5 | 36.4 | 0 | 0 | 0 | 111.5 | P3 T4 E341 | P3-P339 HydrophobicContact CG-CG 4.07Å; T4-P339 HydrophobicContact CG2-CG 3.77Å; P339-E341 PolarHBondContact O-N 3.33Å | ||
| 340 | Y | 90.2 | Very high | 93.1 | Very high | 65 Ų | 65 | 68.5 Ų | 68.5 | 26% | 0.255 | 35% | 0.349 | S | S | . | . | trans | -68 | 127.6 | 174.9 | 176.3 | -107.9 | 0 | 0 | 0 | 110.2 | F278 P317 Y335 T338 P342 | F278-Y340 HydrophobicContact CB-CE1 4.24Å; F278-Y340 AromaticContact CD2-CD1 3.68Å; F278-Y340 HydrophobicContact CD2-CD1 3.68Å; F278-Y340 AromaticContact CD2-CE1 3.46Å; F278-Y340 HydrophobicContact CD2-CE1 3.46Å; F278-Y340 VanDerWaalsContact CD2-CE1 3.46Å; F278-Y340 AromaticContact CE2-CD1 3.62Å; F278-Y340 HydrophobicContact CE2-CD1 3.62Å; F278-Y340 AromaticContact CE2-CE1 3.93Å; F278-Y340 HydrophobicContact CE2-CE1 3.93Å; F278-Y340 HydrophobicContact CG-CD1 4.27Å; F278-Y340 AromaticContact CG-CE1 3.91Å; F278-Y340 HydrophobicContact CG-CE1 3.91Å; F278-Y340 HydrophobicContact CZ-CD1 4.19Å; P317-Y340 HydrophobicContact CB-CD1 3.75Å; P317-Y340 HydrophobicContact CB-CD2 4.43Å; P317-Y340 HydrophobicContact CB-CE1 3.67Å; P317-Y340 HydrophobicContact CB-CE2 4.38Å; P317-Y340 HydrophobicContact CB-CG 4.12Å; P317-Y340 HydrophobicContact CG-CD1 3.92Å; P317-Y340 HydrophobicContact CG-CD2 3.84Å; P317-Y340 HydrophobicContact CG-CE1 4.14Å; P317-Y340 HydrophobicContact CG-CE2 4.08Å; P317-Y340 HydrophobicContact CG-CG 3.74Å; Y335-Y340 AromaticContact CD1-CD2 3.9Å; Y335-Y340 HydrophobicContact CD1-CD2 3.9Å; Y335-Y340 HydrophobicContact CD1-CG 4.41Å; Y335-Y340 AromaticContact CE1-CD2 3.47Å; Y335-Y340 HydrophobicContact CE1-CD2 3.47Å; Y335-Y340 VanDerWaalsContact CE1-CD2 3.47Å; Y335-Y340 HydrophobicContact CE1-CE2 4.23Å; Y335-Y340 HydrophobicContact CE1-CG 4.4Å; Y335-Y340 HydrophobicContact CE2-CD2 4.45Å; Y335-Y340 AromaticContact CZ-CD2 3.76Å; T338-Y340 PolarHBondContact O-N 2.95Å; Y340-P342 HydrophobicContact CE1-CB 3.81Å | ||
| 341 | E | 84.4 | Confident | 92.8 | Very high | 171 Ų | 171 | 69.3 Ų | 69.3 | 80% | 0.799 | 36% | 0.357 | S | S | * | . | trans | -112.8 | 116.2 | 171.1 | -67.2 | -177.1 | 177.8 | 0 | 0 | 107.5 | P339 | P339-E341 PolarHBondContact O-N 3.33Š| ||
| 342 | P | 79.5 | Confident | 92.5 | Very high | 135 Ų | 135 | 65.8 Ų | 65.8 | 88% | 0.877 | 35% | 0.347 | S | S | * | . | trans | -69 | 0 | -176.4 | 27.4 | -34.1 | 0 | 0 | 0 | 114.6 | F278 Y340 | F278-P342 HydrophobicContact CB-CB 3.62Å; F278-P342 HydrophobicContact CB-CG 4.06Å; F278-P342 HydrophobicContact CD1-CG 4.15Å; F278-P342 HydrophobicContact CG-CB 4.19Å; F278-P342 HydrophobicContact CG-CG 4.31Å; Y340-P342 HydrophobicContact CE1-CB 3.81Å |
Retrieved 342 of 342 residues in 378.6 ms
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