| 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 | 40.6 | Very low | 67.4 | Low | 228 Ų | 228 | 68.9 Ų | 68.9 | 100% | 1.123 | 38% | 0.381 | S | S | * | . | 0 | 121.9 | 0 | -71.3 | -173.6 | 172.9 | 0 | 0 | 109 | R3 | M1-R3 PolarHBondContact O-N 3.19Š| |||
| 2 | S | 40.2 | Very low | 69.9 | Low | 96 Ų | 96 | 71.3 Ų | 71.3 | 67% | 0.671 | 39% | 0.385 | S | S | * | . | trans | -63.3 | 130.5 | 178.9 | 52 | 0 | 0 | 0 | 0 | 110.1 | V4 G5 | S2-V4 PolarHBondContact O-N 3.1Å; S2-G5 PolarHBondContact O-N 3.07Å | ||
| 3 | R | 49.7 | Very low | 72.1 | Confident | 143 Ų | 143 | 66.8 Ų | 66.8 | 54% | 0.54 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -57.6 | -23.7 | -177.5 | -70.5 | -178.4 | 176.9 | 169.6 | 0.6 | 113.3 | M1 G5 S6 | M1-R3 PolarHBondContact O-N 3.19Å; R3-G5 VanDerWaalsContact C-N 3.26Å; R3-G5 PolarHBondContact O-N 3.42Å; R3-S6 WeakPolarHBondContact O-CB 3.38Å; R3-S6 PolarHBondContact O-N 3.33Å; R3-S6 PolarHBondContact O-OG 3.18Å |
| 4 | V | 50 | Low | 73.9 | Confident | 78 Ų | 78 | 64.4 Ų | 64.4 | 47% | 0.473 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -64.7 | -24.8 | -176.4 | -173.6 | 0 | 0 | 0 | 0 | 112.8 | S2 S6 | S2-V4 PolarHBondContact O-N 3.1Å; V4-S6 VanDerWaalsContact C-N 3.3Å; V4-S6 PolarHBondContact O-N 3.06Å |
| 5 | G | 59.8 | Low | 75.5 | Confident | 27 Ų | 27 | 68.1 Ų | 68.1 | 28% | 0.278 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -73.5 | -15.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | S2 R3 F7 G8 Q9 | S2-G5 PolarHBondContact O-N 3.07Å; R3-G5 VanDerWaalsContact C-N 3.26Å; R3-G5 PolarHBondContact O-N 3.42Å; G5-F7 PolarHBondContact O-N 3.19Å; G5-G8 PolarHBondContact O-N 2.77Å; G5-G8 VanDerWaalsContact O-N 3.12Å; G5-Q9 VanDerWaalsContact O-CG 3.3Å; G5-Q9 WeakPolarHBondContact O-CG 3.38Å; G5-Q9 PolarHBondContact O-N 2.69Å; G5-Q9 PolarHBondContact O-OE1 3.11Å |
| 6 | S | 64.1 | Low | 76.9 | Confident | 4 Ų | 4 | 64.5 Ų | 64.5 | 3% | 0.028 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -64.2 | -38.5 | -164.4 | -53.3 | 0 | 0 | 0 | 0 | 113.8 | R3 V4 R127 | R3-S6 WeakPolarHBondContact O-CB 3.38Å; R3-S6 PolarHBondContact O-N 3.33Å; R3-S6 PolarHBondContact O-OG 3.18Å; V4-S6 VanDerWaalsContact C-N 3.3Å; V4-S6 PolarHBondContact O-N 3.06Å; S6-R127 VanDerWaalsContact O-CZ 3.23Å; S6-R127 PolarHBondContact O-NH1 2.78Å; S6-R127 PolarHBondContact O-NH2 3.17Å |
| 7 | F | 73.1 | Confident | 78.2 | Confident | 65 Ų | 65 | 60.7 Ų | 60.7 | 29% | 0.285 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -31 | 178.6 | -70.6 | -82.4 | 0 | 0 | 0 | 112.7 | G5 V24 V97 I129 F215 | G5-F7 PolarHBondContact O-N 3.19Å; F7-V24 WeakPolarHBondContact O-CG1 3.5Å; F7-V97 HydrophobicContact CE1-CG2 4.25Å; F7-I129 HydrophobicContact CD1-CD1 3.53Å; F7-I129 HydrophobicContact CD2-CD1 4.05Å; F7-I129 HydrophobicContact CD2-CG2 4.49Å; F7-I129 HydrophobicContact CE1-CD1 3.4Å; F7-I129 VanDerWaalsContact CE1-CD1 3.4Å; F7-I129 HydrophobicContact CE2-CD1 3.93Å; F7-I129 HydrophobicContact CE2-CG2 3.88Å; F7-I129 HydrophobicContact CG-CD1 3.86Å; F7-I129 HydrophobicContact CZ-CB 4.32Å; F7-I129 HydrophobicContact CZ-CD1 3.61Å; F7-I129 HydrophobicContact CZ-CG2 4.15Å; F7-F215 HydrophobicContact CE1-CD1 4.21Å; F7-F215 AromaticContact CE1-CE1 3.89Å; F7-F215 HydrophobicContact CE1-CE1 3.89Å; F7-F215 AromaticContact CZ-CD1 3.74Å; F7-F215 HydrophobicContact CZ-CD1 3.74Å; F7-F215 AromaticContact CZ-CE1 3.88Å; F7-F215 HydrophobicContact CZ-CE1 3.88Å |
| 8 | G | 80.8 | Confident | 79.3 | Confident | 42 Ų | 42 | 58.1 Ų | 58.1 | 43% | 0.433 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 7.5 | -174 | 0 | 0 | 0 | 0 | 0 | 115.7 | G5 V24 R29 | G5-G8 PolarHBondContact O-N 2.77Å; G5-G8 VanDerWaalsContact O-N 3.12Å; G8-V24 WeakPolarHBondContact O-CG1 3.39Å; G8-R29 PolarHBondContact O-NH1 2.78Å |
| 9 | Q | 89.5 | Confident | 80.3 | Confident | 63 Ų | 63 | 55.1 Ų | 55.1 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -126.3 | 155 | -176 | 73.3 | -174.4 | 46.4 | 0 | 0 | 113.8 | G5 S11 R127 | G5-Q9 VanDerWaalsContact O-CG 3.3Å; G5-Q9 WeakPolarHBondContact O-CG 3.38Å; G5-Q9 PolarHBondContact O-N 2.69Å; G5-Q9 PolarHBondContact O-OE1 3.11Å; Q9-S11 PolarHBondContact NE2-OG 3.47Å; Q9-R127 PolarHBondContact O-NH1 2.59Å |
| 10 | I | 96.4 | Very high | 81.2 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | trans | -91.4 | 114.3 | 163.1 | -60 | 171.7 | 0 | 0 | 0 | 107 | Y18 V24 R29 L30 L90 | I10-Y18 HydrophobicContact CG2-CD1 3.9Å; I10-Y18 HydrophobicContact CG2-CG 4.32Å; I10-V24 HydrophobicContact CG1-CB 4.5Å; I10-V24 HydrophobicContact CG1-CG2 3.72Å; I10-R29 HydrophobicContact CD1-CB 4.04Å; I10-L30 HydrophobicContact CD1-CD2 4.14Å; I10-L90 HydrophobicContact CD1-CD2 4.35Å; I10-L90 HydrophobicContact CG2-CD1 3.77Å | ||
| 11 | S | 97.1 | Very high | 81.9 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 130.1 | -179.3 | -71.6 | 0 | 0 | 0 | 0 | 110.7 | Q9 Y18 L19 S126 | Q9-S11 PolarHBondContact NE2-OG 3.47Å; S11-Y18 CarbonylContact O-C 3.56Å; S11-Y18 VanDerWaalsContact O-CA 3.31Å; S11-Y18 WeakPolarHBondContact O-CA 3.43Å; S11-L19 PolarHBondContact N-O 2.79Å; S11-L19 PolarHBondContact O-N 3.45Å; S11-S126 VanDerWaalsContact CB-O 3.29Å; S11-S126 WeakPolarHBondContact CB-O 3.49Å; S11-S126 PolarHBondContact OG-O 2.83Å |
| 12 | K | 97.9 | Very high | 84.4 | Confident | 97 Ų | 97 | 40 Ų | 40 | 42% | 0.422 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 124.2 | 169.9 | -172.8 | -178.5 | 178.9 | -169.9 | 0 | 109.1 | T14 D15 Y18 S126 | K12-T14 WeakPolarHBondContact CE-O 2.95Å; K12-T14 WeakPolarHBondContact CG-O 3.34Å; K12-D15 VanDerWaalsContact CE-OD1 3.27Å; K12-D15 WeakPolarHBondContact CE-OD1 3.44Å; K12-D15 IonicContact NZ-OD1 3.67Å; K12-D15 PolarHBondContact NZ-OD1 3.23Å; K12-Y18 HydrophobicContact CB-CD1 3.98Å; K12-Y18 HydrophobicContact CB-CE1 3.7Å; K12-Y18 HydrophobicContact CD-CE1 4.36Å; K12-Y18 HydrophobicContact CG-CD1 4.32Å; K12-Y18 HydrophobicContact CG-CE1 3.8Å; K12-S126 VanDerWaalsContact O-CB 3.24Å; K12-S126 WeakPolarHBondContact O-CB 3.26Å; K12-S126 PolarHBondContact O-OG 3.43Å |
| 13 | I | 98.4 | Very high | 86.9 | Confident | 14 Ų | 14 | 39.5 Ų | 39.5 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -97 | -48.7 | 176.8 | -52.7 | -53 | 0 | 0 | 0 | 109.9 | L17 L19 L108 T122 V123 S126 | I13-L17 WeakPolarHBondContact CA-O 3.27Å; I13-L17 HydrophobicContact CB-CB 4.42Å; I13-L17 HydrophobicContact CB-CD2 4.32Å; I13-L17 HydrophobicContact CB-CG 4.2Å; I13-L17 WeakPolarHBondContact CB-O 3.42Å; I13-L17 HydrophobicContact CG1-CG 4.48Å; I13-L17 HydrophobicContact CG2-CD2 4.28Å; I13-L17 PolarHBondContact N-O 3.04Å; I13-L19 HydrophobicContact CD1-CB 3.85Å; I13-L19 HydrophobicContact CD1-CD2 4.13Å; I13-L19 HydrophobicContact CG1-CB 3.84Å; I13-L108 HydrophobicContact CG2-CD1 4.21Å; I13-T122 HydrophobicContact CG2-CG2 4.16Å; I13-V123 HydrophobicContact CD1-CG1 4.44Å; I13-V123 HydrophobicContact CG2-CG2 3.93Å; I13-S126 VanDerWaalsContact CD1-CB 3.48Å |
| 14 | T | 97.7 | Very high | 88.9 | Confident | 33 Ų | 33 | 32.9 Ų | 32.9 | 20% | 0.202 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -136.4 | -176.7 | 172.5 | 71.9 | 0 | 0 | 0 | 0 | 109 | K12 C16 L17 L108 | K12-T14 WeakPolarHBondContact CE-O 2.95Å; K12-T14 WeakPolarHBondContact CG-O 3.34Å; T14-C16 PolarHBondContact O-N 3.48Å; T14-C16 PolarHBondContact OG1-N 3.5Å; T14-C16 PolarHBondContact OG1-SG 3.25Å; T14-L17 PolarHBondContact N-O 3.37Å; T14-L17 VanDerWaalsContact N-O 3.15Å; T14-L17 WeakPolarHBondContact OG1-CB 3.25Å; T14-L17 PolarHBondContact OG1-N 3.15Å; T14-L17 VanDerWaalsContact OG1-N 3.17Å; T14-L108 HydrophobicContact CG2-CD2 3.84Å |
| 15 | D | 97.1 | Very high | 90.9 | Very high | 119 Ų | 119 | 30.7 Ų | 30.7 | 64% | 0.636 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -62.5 | -26.1 | 176.2 | -66.3 | -34.9 | 0 | 0 | 0 | 114.3 | K12 | K12-D15 VanDerWaalsContact CE-OD1 3.27Å; K12-D15 WeakPolarHBondContact CE-OD1 3.44Å; K12-D15 IonicContact NZ-OD1 3.67Å; K12-D15 PolarHBondContact NZ-OD1 3.23Å |
| 16 | C | 98 | Very high | 92.4 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 7% | 0.074 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -112.1 | -6.7 | -178.8 | 62.9 | 0 | 0 | 0 | 0 | 114.1 | T14 K83 R88 T89 | T14-C16 PolarHBondContact O-N 3.48Å; T14-C16 PolarHBondContact OG1-N 3.5Å; T14-C16 PolarHBondContact OG1-SG 3.25Å; C16-K83 HydrophobicContact CB-CB 3.97Å; C16-K83 HydrophobicContact CB-CD 4.49Å; C16-K83 HydrophobicContact CB-CG 3.9Å; C16-K83 VanDerWaalsContact SG-CD 3.59Å; C16-R88 CarbonylContact O-C 3.53Å; C16-R88 WeakPolarHBondContact O-CA 3.18Å; C16-T89 PolarHBondContact O-N 3.34Å |
| 17 | L | 98.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 128.1 | -173 | -177.4 | 61.8 | 0 | 0 | 0 | 112.5 | I13 T14 I79 T89 V91 C104 Y107 | I13-L17 WeakPolarHBondContact CA-O 3.27Å; I13-L17 HydrophobicContact CB-CB 4.42Å; I13-L17 HydrophobicContact CB-CD2 4.32Å; I13-L17 HydrophobicContact CB-CG 4.2Å; I13-L17 WeakPolarHBondContact CB-O 3.42Å; I13-L17 HydrophobicContact CG1-CG 4.48Å; I13-L17 HydrophobicContact CG2-CD2 4.28Å; I13-L17 PolarHBondContact N-O 3.04Å; T14-L17 PolarHBondContact N-O 3.37Å; T14-L17 VanDerWaalsContact N-O 3.15Å; T14-L17 WeakPolarHBondContact OG1-CB 3.25Å; T14-L17 PolarHBondContact OG1-N 3.15Å; T14-L17 VanDerWaalsContact OG1-N 3.17Å; L17-I79 HydrophobicContact CD1-CD1 3.92Å; L17-I79 HydrophobicContact CD1-CG1 4.3Å; L17-I79 HydrophobicContact CD1-CG2 4.18Å; L17-T89 WeakPolarHBondContact CA-O 3.44Å; L17-V91 HydrophobicContact CD1-CG2 3.79Å; L17-C104 HydrophobicContact CD2-CB 3.99Å; L17-Y107 HydrophobicContact CD2-CD1 3.59Å; L17-Y107 HydrophobicContact CD2-CE1 4.15Å; L17-Y107 HydrophobicContact CD2-CG 4.35Å |
| 18 | Y | 98.6 | Very high | 94.7 | Very high | 14 Ų | 14 | 38.6 Ų | 38.6 | 6% | 0.055 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 154.2 | 178.9 | -67.2 | -103.1 | 0 | 0 | 0 | 111.3 | I10 S11 K12 R33 I35 R88 T89 V91 | I10-Y18 HydrophobicContact CG2-CD1 3.9Å; I10-Y18 HydrophobicContact CG2-CG 4.32Å; S11-Y18 CarbonylContact O-C 3.56Å; S11-Y18 VanDerWaalsContact O-CA 3.31Å; S11-Y18 WeakPolarHBondContact O-CA 3.43Å; K12-Y18 HydrophobicContact CB-CD1 3.98Å; K12-Y18 HydrophobicContact CB-CE1 3.7Å; K12-Y18 HydrophobicContact CD-CE1 4.36Å; K12-Y18 HydrophobicContact CG-CD1 4.32Å; K12-Y18 HydrophobicContact CG-CE1 3.8Å; Y18-R33 HydrophobicContact CE1-CB 4.23Å; Y18-R33 HydrophobicContact CE1-CG 4.06Å; Y18-I35 HydrophobicContact CD2-CD1 3.46Å; Y18-I35 VanDerWaalsContact CD2-CD1 3.46Å; Y18-I35 HydrophobicContact CE2-CD1 4Å; Y18-I35 HydrophobicContact CG-CD1 3.8Å; Y18-R88 HydrophobicContact CD2-CB 4.4Å; Y18-R88 HydrophobicContact CE2-CB 4.12Å; Y18-R88 HydrophobicContact CE2-CG 4.33Å; Y18-R88 PolarHBondContact OH-NH1 2.84Å; Y18-T89 PolarHBondContact N-O 3.24Å; Y18-V91 PolarHBondContact O-N 2.69Å |
| 19 | L | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 133.3 | -176.5 | 174.1 | 62.5 | 0 | 0 | 0 | 111.6 | S11 I13 V91 S100 P101 V123 R127 V130 | S11-L19 PolarHBondContact N-O 2.79Å; S11-L19 PolarHBondContact O-N 3.45Å; I13-L19 HydrophobicContact CD1-CB 3.85Å; I13-L19 HydrophobicContact CD1-CD2 4.13Å; I13-L19 HydrophobicContact CG1-CB 3.84Å; L19-V91 WeakPolarHBondContact CA-O 3.3Å; L19-S100 WeakPolarHBondContact CD1-OG 3.25Å; L19-P101 HydrophobicContact CD2-CB 3.94Å; L19-V123 HydrophobicContact CD2-CG1 3.81Å; L19-R127 HydrophobicContact CD2-CB 4.11Å; L19-R127 HydrophobicContact CD2-CG 4.43Å; L19-V130 HydrophobicContact CD2-CG2 3.95Å |
| 20 | S | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 174.4 | 173.6 | 75.4 | 0 | 0 | 0 | 0 | 114.4 | V91 H92 G96 | S20-V91 PolarHBondContact N-O 3.06Å; S20-H92 WeakPolarHBondContact O-CA 3.49Å; S20-G96 WeakPolarHBondContact O-CA 3.24Å |
| 21 | G | 95.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | trans | -85.7 | 176.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V24 C93 V94 | G21-V24 WeakPolarHBondContact O-CG2 3.3Å; G21-C93 CarbonylContact C-O 3.5Å; G21-V94 CarbonylContact C-O 3.56Å; G21-V94 WeakPolarHBondContact CA-O 3.33Å | ||
| 22 | S | 94.4 | Very high | 95.3 | Very high | 20 Ų | 20 | 51.4 Ų | 51.4 | 14% | 0.14 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -74 | -33.3 | -178.4 | 53.2 | 0 | 0 | 0 | 0 | 113 | V24 L25 E45 C93 V94 | S22-V24 PolarHBondContact O-N 3.32Å; S22-L25 WeakPolarHBondContact O-CB 3.48Å; S22-L25 VanDerWaalsContact O-CG 3.32Å; S22-L25 WeakPolarHBondContact O-CG 3.45Å; S22-L25 PolarHBondContact O-N 3.47Å; S22-E45 VanDerWaalsContact CB-OE1 3.25Å; S22-E45 WeakPolarHBondContact CB-OE1 3.17Å; S22-E45 VanDerWaalsContact OG-CD 3.3Å; S22-E45 PolarHBondContact OG-OE1 3.29Å; S22-C93 PolarHBondContact N-O 2.85Å; S22-V94 PolarHBondContact N-O 3.11Å; S22-V94 PolarHBondContact OG-O 3.22Å |
| 23 | S | 92.5 | Very high | 95.2 | Very high | 86 Ų | 86 | 49.7 Ų | 49.7 | 60% | 0.601 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -61.1 | -14 | -174.7 | 62.6 | 0 | 0 | 0 | 0 | 116 | ||
| 24 | V | 91.7 | Very high | 95.1 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -105.9 | -3.4 | -177.8 | -57.8 | 0 | 0 | 0 | 0 | 113.2 | F7 G8 I10 G21 S22 R26 R29 | F7-V24 WeakPolarHBondContact O-CG1 3.5Å; G8-V24 WeakPolarHBondContact O-CG1 3.39Å; I10-V24 HydrophobicContact CG1-CB 4.5Å; I10-V24 HydrophobicContact CG1-CG2 3.72Å; G21-V24 WeakPolarHBondContact O-CG2 3.3Å; S22-V24 PolarHBondContact O-N 3.32Å; V24-R26 PolarHBondContact O-N 3.18Å; V24-R26 VanDerWaalsContact O-N 3.16Å; V24-R29 WeakPolarHBondContact O-CD 3.36Å |
| 25 | L | 92.1 | Very high | 95.1 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 17% | 0.173 | 25% | 0.247 | C | C | . | . | trans | -70.7 | 108.9 | -179 | -60.6 | -178.7 | 0 | 0 | 0 | 109.7 | S22 L30 M48 L90 H92 | S22-L25 WeakPolarHBondContact O-CB 3.48Å; S22-L25 VanDerWaalsContact O-CG 3.32Å; S22-L25 WeakPolarHBondContact O-CG 3.45Å; S22-L25 PolarHBondContact O-N 3.47Å; L25-L30 HydrophobicContact CD2-CD2 4.5Å; L25-M48 HydrophobicContact CB-CE 4.02Å; L25-L90 HydrophobicContact CD2-CD2 3.37Å; L25-H92 HydrophobicContact CD1-CB 4.48Å; L25-H92 HydrophobicContact CD2-CB 4.48Å | ||
| 26 | R | 91.5 | Very high | 95.1 | Very high | 125 Ų | 125 | 46.3 Ų | 46.3 | 47% | 0.472 | 23% | 0.232 | S | C | . | . | trans | -139 | 139 | 174.6 | -65.4 | -177.8 | 177.7 | 77.6 | -2.6 | 108 | V24 D28 R29 L30 | V24-R26 PolarHBondContact O-N 3.18Å; V24-R26 VanDerWaalsContact O-N 3.16Å; R26-D28 PolarHBondContact O-N 3.15Å; R26-D28 VanDerWaalsContact O-N 3.16Å; R26-R29 HydrophobicContact CB-CB 4.45Å; R26-R29 HydrophobicContact CB-CG 4.34Å; R26-R29 PolarHBondContact O-N 2.98Å; R26-L30 PolarHBondContact O-N 2.99Å; R26-L30 VanDerWaalsContact O-N 3.17Å | ||
| 27 | P | 92.5 | Very high | 95.1 | Very high | 46 Ų | 46 | 45.9 Ų | 45.9 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -49.6 | -42.6 | -179.8 | -29.5 | 35 | 0 | 0 | 0 | 113.8 | R29 L30 R31 M48 I50 | P27-R29 PolarHBondContact O-N 3.24Å; P27-L30 PolarHBondContact O-N 3.16Å; P27-R31 WeakPolarHBondContact O-CG 3.42Å; P27-R31 PolarHBondContact O-N 3.23Å; P27-M48 HydrophobicContact CG-SD 4.29Å; P27-I50 HydrophobicContact CB-CD1 3.96Å; P27-I50 HydrophobicContact CB-CG1 4.37Å; P27-I50 HydrophobicContact CG-CD1 3.94Å; P27-I50 HydrophobicContact CG-CG1 4.19Å |
| 28 | D | 93 | Very high | 95.1 | Very high | 90 Ų | 90 | 46.3 Ų | 46.3 | 48% | 0.481 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.7 | -39.9 | 179.4 | -56.9 | -43.1 | 0 | 0 | 0 | 112.9 | R26 L30 R31 Q32 | R26-D28 PolarHBondContact O-N 3.15Å; R26-D28 VanDerWaalsContact O-N 3.16Å; D28-L30 VanDerWaalsContact C-N 3.29Å; D28-L30 PolarHBondContact O-N 2.96Å; D28-R31 PolarHBondContact O-N 3.01Å; D28-R31 IonicContact OD1-CZ 2.89Å; D28-R31 IonicContact OD1-NE 3.1Å; D28-R31 IonicContact OD1-NH2 2.8Å; D28-R31 PolarHBondContact OD1-NH2 3.18Å; D28-Q32 WeakPolarHBondContact O-CB 3.37Å; D28-Q32 WeakPolarHBondContact O-CG 3.24Å; D28-Q32 PolarHBondContact O-N 2.89Å |
| 29 | R | 93.4 | Very high | 95.1 | Very high | 83 Ų | 83 | 45.6 Ų | 45.6 | 31% | 0.313 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -69.2 | -29.6 | 179 | -71.3 | -172.9 | 170.8 | -149.2 | -0.7 | 112.4 | G8 I10 V24 R26 P27 R33 | G8-R29 PolarHBondContact O-NH1 2.78Å; I10-R29 HydrophobicContact CD1-CB 4.04Å; V24-R29 WeakPolarHBondContact O-CD 3.36Å; R26-R29 HydrophobicContact CB-CB 4.45Å; R26-R29 HydrophobicContact CB-CG 4.34Å; R26-R29 PolarHBondContact O-N 2.98Å; P27-R29 PolarHBondContact O-N 3.24Å; R29-R33 PolarHBondContact O-NH1 2.98Å; R29-R33 VanDerWaalsContact O-NH1 3.12Å |
| 30 | L | 94.4 | Very high | 95 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.1 | -47.8 | 173.8 | -62.3 | -171.5 | 0 | 0 | 0 | 110.9 | I10 L25 R26 P27 D28 R33 G34 I35 V38 M48 I50 L90 | I10-L30 HydrophobicContact CD1-CD2 4.14Å; L25-L30 HydrophobicContact CD2-CD2 4.5Å; R26-L30 PolarHBondContact O-N 2.99Å; R26-L30 VanDerWaalsContact O-N 3.17Å; P27-L30 PolarHBondContact O-N 3.16Å; D28-L30 VanDerWaalsContact C-N 3.29Å; D28-L30 PolarHBondContact O-N 2.96Å; L30-R33 CarbonylContact O-C 3.55Å; L30-R33 PolarHBondContact O-N 3.4Å; L30-R33 VanDerWaalsContact O-N 3.11Å; L30-G34 PolarHBondContact O-N 3.01Å; L30-G34 VanDerWaalsContact O-N 3.12Å; L30-I35 HydrophobicContact CB-CB 4.15Å; L30-I35 HydrophobicContact CD2-CB 4.28Å; L30-I35 HydrophobicContact CD2-CG1 4.11Å; L30-I35 HydrophobicContact CD2-CG2 4.34Å; L30-I35 PolarHBondContact O-N 3.15Å; L30-V38 HydrophobicContact CD1-CG2 3.96Å; L30-M48 HydrophobicContact CD1-CE 3.38Å; L30-M48 HydrophobicContact CG-CE 4.42Å; L30-I50 HydrophobicContact CD1-CD1 3.57Å; L30-L90 HydrophobicContact CD2-CD2 3.34Å |
| 31 | R | 93.4 | Very high | 95.1 | Very high | 154 Ų | 154 | 45.8 Ų | 45.8 | 58% | 0.581 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -58.2 | -48.2 | 175.7 | -75.7 | -172.3 | -77.4 | -106.8 | 6.6 | 112.4 | P27 D28 R33 G34 | P27-R31 WeakPolarHBondContact O-CG 3.42Å; P27-R31 PolarHBondContact O-N 3.23Å; D28-R31 PolarHBondContact O-N 3.01Å; D28-R31 IonicContact OD1-CZ 2.89Å; D28-R31 IonicContact OD1-NE 3.1Å; D28-R31 IonicContact OD1-NH2 2.8Å; D28-R31 PolarHBondContact OD1-NH2 3.18Å; R31-R33 PolarHBondContact O-N 3.35Å; R31-R33 VanDerWaalsContact O-N 3.08Å; R31-G34 PolarHBondContact O-N 2.8Å |
| 32 | Q | 94.5 | Very high | 95.1 | Very high | 148 Ų | 148 | 45.7 Ų | 45.7 | 69% | 0.692 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -26.3 | 176.8 | -75.8 | 169.1 | 5.5 | 0 | 0 | 113.5 | D28 | D28-Q32 WeakPolarHBondContact O-CB 3.37Å; D28-Q32 WeakPolarHBondContact O-CG 3.24Å; D28-Q32 PolarHBondContact O-N 2.89Å |
| 33 | R | 95.6 | Very high | 95.2 | Very high | 62 Ų | 62 | 47.6 Ų | 47.6 | 23% | 0.234 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -1.2 | 178.1 | -74.8 | 173.9 | 179.7 | 70.3 | 3.9 | 113.2 | Y18 R29 L30 R31 I35 R88 | Y18-R33 HydrophobicContact CE1-CB 4.23Å; Y18-R33 HydrophobicContact CE1-CG 4.06Å; R29-R33 PolarHBondContact O-NH1 2.98Å; R29-R33 VanDerWaalsContact O-NH1 3.12Å; L30-R33 CarbonylContact O-C 3.55Å; L30-R33 PolarHBondContact O-N 3.4Å; L30-R33 VanDerWaalsContact O-N 3.11Å; R31-R33 PolarHBondContact O-N 3.35Å; R31-R33 VanDerWaalsContact O-N 3.08Å; R33-I35 VanDerWaalsContact C-N 3.27Å; R33-I35 HydrophobicContact CB-CD1 4.2Å; R33-I35 HydrophobicContact CB-CG1 3.9Å; R33-I35 PolarHBondContact O-N 3.47Å; R33-R88 WeakPolarHBondContact O-CD 3.39Å; R33-R88 PolarHBondContact O-NH1 3.36Å |
| 34 | G | 96.3 | Very high | 95.2 | Very high | 34 Ų | 34 | 48.8 Ų | 48.8 | 35% | 0.351 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 32.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | L30 R31 T36 R88 | L30-G34 PolarHBondContact O-N 3.01Å; L30-G34 VanDerWaalsContact O-N 3.12Å; R31-G34 PolarHBondContact O-N 2.8Å; G34-T36 PolarHBondContact O-N 2.87Å; G34-R88 WeakPolarHBondContact O-CB 3.28Å |
| 35 | I | 97.8 | Very high | 95.2 | Very high | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | trans | -71 | 122.4 | 178.1 | -59.3 | -58.7 | 0 | 0 | 0 | 109.2 | Y18 L30 R33 T37 V38 R88 L90 | Y18-I35 HydrophobicContact CD2-CD1 3.46Å; Y18-I35 VanDerWaalsContact CD2-CD1 3.46Å; Y18-I35 HydrophobicContact CE2-CD1 4Å; Y18-I35 HydrophobicContact CG-CD1 3.8Å; L30-I35 HydrophobicContact CB-CB 4.15Å; L30-I35 HydrophobicContact CD2-CB 4.28Å; L30-I35 HydrophobicContact CD2-CG1 4.11Å; L30-I35 HydrophobicContact CD2-CG2 4.34Å; L30-I35 PolarHBondContact O-N 3.15Å; R33-I35 VanDerWaalsContact C-N 3.27Å; R33-I35 HydrophobicContact CB-CD1 4.2Å; R33-I35 HydrophobicContact CB-CG1 3.9Å; R33-I35 PolarHBondContact O-N 3.47Å; I35-T37 VanDerWaalsContact CG2-O 3.24Å; I35-T37 WeakPolarHBondContact CG2-O 3.31Å; I35-V38 HydrophobicContact CG2-CG2 3.93Å; I35-R88 HydrophobicContact CD1-CB 3.98Å; I35-L90 HydrophobicContact CD1-CB 4.1Å; I35-L90 HydrophobicContact CG1-CB 4.29Å; I35-L90 HydrophobicContact CG2-CB 3.84Å | ||
| 36 | T | 97.7 | Very high | 95.1 | Very high | 53 Ų | 53 | 55 Ų | 55 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | trans | -112.8 | -8.7 | 177.8 | 57.7 | 0 | 0 | 0 | 0 | 112.3 | G34 D54 G87 R88 | G34-T36 PolarHBondContact O-N 2.87Å; T36-D54 PolarHBondContact O-N 3.47Å; T36-G87 VanDerWaalsContact OG1-CA 3.24Å; T36-G87 WeakPolarHBondContact OG1-CA 3.49Å; T36-R88 PolarHBondContact N-O 2.85Å; T36-R88 PolarHBondContact OG1-N 3.18Å; T36-R88 VanDerWaalsContact OG1-N 3.11Å; T36-R88 PolarHBondContact OG1-O 3.44Å | ||
| 37 | T | 98.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 135.1 | 174.7 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | I35 D54 K78 T82 R88 T89 L90 | I35-T37 VanDerWaalsContact CG2-O 3.24Å; I35-T37 WeakPolarHBondContact CG2-O 3.31Å; T37-D54 CarbonylContact C-O 3.52Å; T37-D54 VanDerWaalsContact CA-O 3.23Å; T37-D54 WeakPolarHBondContact CA-O 3.34Å; T37-D54 HydrophobicContact CG2-CB 4.32Å; T37-K78 HydrophobicContact CG2-CD 4.42Å; T37-K78 HydrophobicContact CG2-CG 4.09Å; T37-T82 WeakPolarHBondContact OG1-CG2 2.95Å; T37-T82 PolarHBondContact OG1-OG1 3.08Å; T37-R88 PolarHBondContact N-O 3.38Å; T37-R88 VanDerWaalsContact N-O 3.11Å; T37-T89 HydrophobicContact CG2-CG2 4.03Å; T37-T89 CarbonylContact O-C 3.43Å; T37-T89 VanDerWaalsContact O-CA 3.29Å; T37-T89 WeakPolarHBondContact O-CA 3.41Å; T37-L90 PolarHBondContact O-N 2.78Å |
| 38 | V | 98 | Very high | 94.4 | Very high | 9 Ų | 9 | 51 Ų | 51 | 6% | 0.055 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124.7 | 173.5 | 177 | 0 | 0 | 0 | 0 | 109.7 | L30 I35 V53 D54 C55 L56 L90 | L30-V38 HydrophobicContact CD1-CG2 3.96Å; I35-V38 HydrophobicContact CG2-CG2 3.93Å; V38-V53 HydrophobicContact CB-CG1 4.36Å; V38-V53 HydrophobicContact CG2-CG1 3.62Å; V38-D54 PolarHBondContact N-O 2.83Å; V38-C55 CarbonylContact O-C 3.55Å; V38-C55 WeakPolarHBondContact O-CA 3.42Å; V38-L56 PolarHBondContact O-N 3.21Å; V38-L90 CarbonylContact C-O 3.54Å; V38-L90 WeakPolarHBondContact CA-O 3.37Å; V38-L90 HydrophobicContact CG2-CB 4.45Å |
| 39 | V | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 113.8 | 171 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | L56 V75 T89 L90 V91 H92 | V39-L56 CarbonylContact C-O 3.38Å; V39-L56 VanDerWaalsContact CA-O 3.29Å; V39-L56 WeakPolarHBondContact CA-O 3.43Å; V39-L56 HydrophobicContact CG1-CD2 4.47Å; V39-L56 HydrophobicContact CG2-CB 4.32Å; V39-L56 HydrophobicContact CG2-CD2 4.36Å; V39-V75 HydrophobicContact CG1-CG1 4.06Å; V39-V75 HydrophobicContact CG1-CG2 4.17Å; V39-V75 HydrophobicContact CG2-CG1 4.33Å; V39-T89 HydrophobicContact CG2-CG2 3.81Å; V39-L90 PolarHBondContact N-O 3.24Å; V39-V91 HydrophobicContact CB-CB 4.38Å; V39-V91 HydrophobicContact CB-CG1 4.12Å; V39-V91 HydrophobicContact CB-CG2 4.15Å; V39-V91 HydrophobicContact CG1-CG1 4.18Å; V39-V91 HydrophobicContact CG2-CG2 4.33Å; V39-H92 PolarHBondContact O-CD2 3.44Å; V39-H92 PolarHBondContact O-N 2.91Å |
| 40 | N | 97.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 104.1 | 177.5 | -178.1 | -10.3 | 0 | 0 | 0 | 109.9 | T42 E45 P46 L56 K57 I58 H92 | N40-T42 PolarHBondContact O-N 2.81Å; N40-T42 WeakPolarHBondContact OD1-CB 3.35Å; N40-T42 PolarHBondContact OD1-N 3.31Å; N40-T42 PolarHBondContact OD1-OG1 3.08Å; N40-E45 PolarHBondContact ND2-O 3.38Å; N40-P46 PolarHBondContact ND2-O 3.17Å; N40-L56 PolarHBondContact N-O 2.94Å; N40-K57 HydrophobicContact CB-CD 3.72Å; N40-K57 VanDerWaalsContact CG-CD 3.46Å; N40-K57 WeakPolarHBondContact ND2-CD 3.39Å; N40-K57 PolarHBondContact ND2-NZ 3.48Å; N40-K57 VanDerWaalsContact ND2-NZ 3.11Å; N40-K57 PolarHBondContact OD1-NZ 3.17Å; N40-I58 PolarHBondContact O-N 3.21Å; N40-H92 WeakPolarHBondContact CA-NE2 3.28Å; N40-H92 VanDerWaalsContact CB-NE2 3.26Å; N40-H92 WeakPolarHBondContact CB-NE2 3.33Å; N40-H92 PolarHBondContact OD1-CE1 3.02Å; N40-H92 VanDerWaalsContact OD1-CE1 3.29Å |
| 41 | A | 98 | Very high | 93.6 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 67.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I58 V60 H92 C93 R99 L103 | A41-I58 HydrophobicContact CB-CD1 3.76Å; A41-I58 HydrophobicContact CB-CG1 3.71Å; A41-V60 HydrophobicContact CB-CG2 4.2Å; A41-H92 WeakPolarHBondContact CB-O 3.5Å; A41-H92 PolarHBondContact N-O 3.18Å; A41-C93 HydrophobicContact CB-CB 4.49Å; A41-C93 WeakPolarHBondContact O-CB 3.5Å; A41-R99 HydrophobicContact CB-CB 4.28Å; A41-R99 VanDerWaalsContact O-CD 3.32Å; A41-R99 WeakPolarHBondContact O-CD 3.45Å; A41-L103 HydrophobicContact CB-CD1 3.63Å |
| 42 | T | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | -148.7 | 160.5 | 179.3 | 68.7 | 0 | 0 | 0 | 0 | 111 | N40 E44 E45 K57 I58 C93 V94 | N40-T42 PolarHBondContact O-N 2.81Å; N40-T42 WeakPolarHBondContact OD1-CB 3.35Å; N40-T42 PolarHBondContact OD1-N 3.31Å; N40-T42 PolarHBondContact OD1-OG1 3.08Å; T42-E44 VanDerWaalsContact CB-OE2 3.3Å; T42-E44 WeakPolarHBondContact CB-OE2 3.08Å; T42-E45 HydrophobicContact CG2-CB 4.25Å; T42-E45 HydrophobicContact CG2-CG 3.9Å; T42-E45 VanDerWaalsContact OG1-CB 3.3Å; T42-E45 WeakPolarHBondContact OG1-CB 3.49Å; T42-E45 PolarHBondContact OG1-N 3.39Å; T42-E45 VanDerWaalsContact OG1-N 3.14Å; T42-K57 WeakPolarHBondContact O-CE 3.3Å; T42-K57 PolarHBondContact O-NZ 3.35Å; T42-K57 PolarHBondContact OG1-NZ 3.17Å; T42-I58 PolarHBondContact N-O 2.88Å; T42-I58 VanDerWaalsContact O-O 3.05Å; T42-C93 HydrophobicContact CG2-CB 4.1Å; T42-V94 HydrophobicContact CG2-CG2 3.83Å | ||
| 43 | I | 95.3 | Very high | 93.5 | Very high | 59 Ų | 59 | 49.1 Ų | 49.1 | 30% | 0.303 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -89.5 | -34.4 | 162.1 | -59.2 | -168.7 | 0 | 0 | 0 | 109.6 | R59 E61 | I43-R59 HydrophobicContact CG1-CB 4.28Å; I43-R59 PolarHBondContact O-NH2 3.31Å; I43-E61 HydrophobicContact CD1-CG 3.38Å; I43-E61 HydrophobicContact CG1-CG 4.2Å |
| 44 | E | 92.4 | Very high | 93.5 | Very high | 111 Ų | 111 | 49.5 Ų | 49.5 | 52% | 0.519 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -83 | -39.8 | -162.1 | -46.7 | 92.6 | 129.4 | 0 | 0 | 113.1 | T42 R99 | T42-E44 VanDerWaalsContact CB-OE2 3.3Å; T42-E44 WeakPolarHBondContact CB-OE2 3.08Å; E44-R99 IonicContact OE1-CZ 3.76Å; E44-R99 IonicContact OE1-NH1 3.31Å; E44-R99 PolarHBondContact OE1-NH1 2.86Å; E44-R99 IonicContact OE1-NH2 3.21Å; E44-R99 PolarHBondContact OE1-NH2 2.89Å; E44-R99 IonicContact OE2-CZ 3.83Å; E44-R99 IonicContact OE2-NH1 2.88Å; E44-R99 PolarHBondContact OE2-NH1 2.88Å; E44-R99 IonicContact OE2-NH2 3.82Å |
| 45 | E | 91.6 | Very high | 93.5 | Very high | 59 Ų | 59 | 50 Ų | 50 | 28% | 0.276 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -86.6 | 129.5 | -171.7 | -59.6 | -73.6 | 179.5 | 0 | 0 | 111.3 | S22 N40 T42 K57 V94 | S22-E45 VanDerWaalsContact CB-OE1 3.25Å; S22-E45 WeakPolarHBondContact CB-OE1 3.17Å; S22-E45 VanDerWaalsContact OG-CD 3.3Å; S22-E45 PolarHBondContact OG-OE1 3.29Å; N40-E45 PolarHBondContact ND2-O 3.38Å; T42-E45 HydrophobicContact CG2-CB 4.25Å; T42-E45 HydrophobicContact CG2-CG 3.9Å; T42-E45 VanDerWaalsContact OG1-CB 3.3Å; T42-E45 WeakPolarHBondContact OG1-CB 3.49Å; T42-E45 PolarHBondContact OG1-N 3.39Å; T42-E45 VanDerWaalsContact OG1-N 3.14Å; E45-K57 PolarHBondContact O-NZ 2.93Å; E45-V94 HydrophobicContact CG-CG2 4.19Å |
| 46 | P | 90.6 | Very high | 93.4 | Very high | 107 Ų | 107 | 50.7 Ų | 50.7 | 70% | 0.695 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -63 | 157.2 | 175.7 | 27.6 | -34.1 | 0 | 0 | 0 | 111.8 | N40 | N40-P46 PolarHBondContact ND2-O 3.17Š|
| 47 | T | 87.9 | Confident | 93.4 | Very high | 34 Ų | 34 | 50.3 Ų | 50.3 | 21% | 0.209 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 127.5 | 169.9 | -59.5 | 0 | 0 | 0 | 0 | 109 | Y49 C55 | T47-Y49 HydrophobicContact CG2-CD1 4.44Å; T47-Y49 HydrophobicContact CG2-CE1 4.04Å; T47-Y49 HydrophobicContact CG2-CE2 4.36Å; T47-C55 HydrophobicContact CG2-CB 3.44Å; T47-C55 VanDerWaalsContact CG2-CB 3.44Å |
| 48 | M | 82 | Confident | 93.3 | Very high | 55 Ų | 55 | 50.4 Ų | 50.4 | 27% | 0.271 | 28% | 0.284 | S | S | . | . | trans | -88.4 | 110.9 | 175 | 179.5 | 176.6 | 54.1 | 0 | 0 | 109.3 | L25 P27 L30 I50 C55 | L25-M48 HydrophobicContact CB-CE 4.02Å; P27-M48 HydrophobicContact CG-SD 4.29Å; L30-M48 HydrophobicContact CD1-CE 3.38Å; L30-M48 HydrophobicContact CG-CE 4.42Å; M48-I50 HydrophobicContact CE-CD1 3.48Å; M48-I50 VanDerWaalsContact CE-CD1 3.48Å; M48-I50 HydrophobicContact CE-CG1 4.48Å; M48-I50 HydrophobicContact CG-CD1 3.92Å; M48-I50 HydrophobicContact CG-CG1 3.93Å; M48-I50 HydrophobicContact SD-CD1 3.69Å; M48-I50 HydrophobicContact SD-CG1 4.26Å; M48-C55 PolarHBondContact O-SG 3.37Å | ||
| 49 | Y | 86.5 | Confident | 93.2 | Very high | 198 Ų | 198 | 56.9 Ų | 56.9 | 78% | 0.776 | 31% | 0.307 | S | S | * | . | trans | -85 | 114.9 | 176.3 | -62.9 | -77.7 | 0 | 0 | 0 | 110.1 | T47 | T47-Y49 HydrophobicContact CG2-CD1 4.44Å; T47-Y49 HydrophobicContact CG2-CE1 4.04Å; T47-Y49 HydrophobicContact CG2-CE2 4.36Å | ||
| 50 | I | 88.4 | Confident | 93 | Very high | 23 Ų | 23 | 56.9 Ų | 56.9 | 12% | 0.118 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -123.7 | 133.7 | 175.1 | -63.7 | 162.1 | 0 | 0 | 0 | 107.7 | P27 L30 M48 G52 V53 | P27-I50 HydrophobicContact CB-CD1 3.96Å; P27-I50 HydrophobicContact CB-CG1 4.37Å; P27-I50 HydrophobicContact CG-CD1 3.94Å; P27-I50 HydrophobicContact CG-CG1 4.19Å; L30-I50 HydrophobicContact CD1-CD1 3.57Å; M48-I50 HydrophobicContact CE-CD1 3.48Å; M48-I50 VanDerWaalsContact CE-CD1 3.48Å; M48-I50 HydrophobicContact CE-CG1 4.48Å; M48-I50 HydrophobicContact CG-CD1 3.92Å; M48-I50 HydrophobicContact CG-CG1 3.93Å; M48-I50 HydrophobicContact SD-CD1 3.69Å; M48-I50 HydrophobicContact SD-CG1 4.26Å; I50-G52 PolarHBondContact O-N 3.17Å; I50-V53 HydrophobicContact CB-CB 4.09Å; I50-V53 HydrophobicContact CB-CG2 3.95Å; I50-V53 HydrophobicContact CG2-CG2 3.85Å; I50-V53 PolarHBondContact O-N 2.9Å |
| 51 | S | 89.2 | Confident | 93 | Very high | 127 Ų | 127 | 61.8 Ų | 61.8 | 89% | 0.888 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 129.6 | 176 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | V53 | S51-V53 VanDerWaalsContact C-N 3.31Å; S51-V53 PolarHBondContact O-N 3.47Å |
| 52 | G | 90.3 | Very high | 93 | Very high | 68 Ų | 68 | 63.9 Ų | 63.9 | 70% | 0.701 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 4.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | I50 | I50-G52 PolarHBondContact O-N 3.17Š|
| 53 | V | 95.3 | Very high | 93 | Very high | 20 Ų | 20 | 66.5 Ų | 66.5 | 12% | 0.121 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -115.7 | 109.3 | 177.3 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | V38 I50 S51 | V38-V53 HydrophobicContact CB-CG1 4.36Å; V38-V53 HydrophobicContact CG2-CG1 3.62Å; I50-V53 HydrophobicContact CB-CB 4.09Å; I50-V53 HydrophobicContact CB-CG2 3.95Å; I50-V53 HydrophobicContact CG2-CG2 3.85Å; I50-V53 PolarHBondContact O-N 2.9Å; S51-V53 VanDerWaalsContact C-N 3.31Å; S51-V53 PolarHBondContact O-N 3.47Å |
| 54 | D | 95.4 | Very high | 93 | Very high | 69 Ų | 69 | 65.3 Ų | 65.3 | 37% | 0.369 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 139.7 | 171.9 | -78.8 | -3.9 | 0 | 0 | 0 | 110.4 | T36 T37 V38 K78 | T36-D54 PolarHBondContact O-N 3.47Å; T37-D54 CarbonylContact C-O 3.52Å; T37-D54 VanDerWaalsContact CA-O 3.23Å; T37-D54 WeakPolarHBondContact CA-O 3.34Å; T37-D54 HydrophobicContact CG2-CB 4.32Å; V38-D54 PolarHBondContact N-O 2.83Å; D54-K78 IonicContact OD2-NZ 2.88Å; D54-K78 PolarHBondContact OD2-NZ 2.78Å |
| 55 | C | 95.7 | Very high | 93.1 | Very high | 44 Ų | 44 | 67.7 Ų | 67.7 | 30% | 0.297 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 132.8 | 176.8 | -69.7 | 0 | 0 | 0 | 0 | 111.7 | V38 T47 M48 | V38-C55 CarbonylContact O-C 3.55Å; V38-C55 WeakPolarHBondContact O-CA 3.42Å; T47-C55 HydrophobicContact CG2-CB 3.44Å; T47-C55 VanDerWaalsContact CG2-CB 3.44Å; M48-C55 PolarHBondContact O-SG 3.37Å |
| 56 | L | 96.5 | Very high | 93.4 | Very high | 23 Ų | 23 | 67.4 Ų | 67.4 | 12% | 0.12 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 114.3 | 169.9 | 175.2 | 62.2 | 0 | 0 | 0 | 109 | V38 V39 N40 I58 I74 V75 K78 | V38-L56 PolarHBondContact O-N 3.21Å; V39-L56 CarbonylContact C-O 3.38Å; V39-L56 VanDerWaalsContact CA-O 3.29Å; V39-L56 WeakPolarHBondContact CA-O 3.43Å; V39-L56 HydrophobicContact CG1-CD2 4.47Å; V39-L56 HydrophobicContact CG2-CB 4.32Å; V39-L56 HydrophobicContact CG2-CD2 4.36Å; N40-L56 PolarHBondContact N-O 2.94Å; L56-I58 HydrophobicContact CG-CG2 4.35Å; L56-I74 HydrophobicContact CD2-CG2 4.38Å; L56-V75 HydrophobicContact CD2-CG2 4.13Å; L56-K78 HydrophobicContact CD2-CB 4.22Å; L56-K78 HydrophobicContact CD2-CG 4.27Å |
| 57 | K | 96.8 | Very high | 93.7 | Very high | 45 Ų | 45 | 67.9 Ų | 67.9 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 124.7 | 176.1 | 179.7 | 69.6 | 174 | -178.8 | 0 | 109.6 | N40 T42 E45 R59 | N40-K57 HydrophobicContact CB-CD 3.72Å; N40-K57 VanDerWaalsContact CG-CD 3.46Å; N40-K57 WeakPolarHBondContact ND2-CD 3.39Å; N40-K57 PolarHBondContact ND2-NZ 3.48Å; N40-K57 VanDerWaalsContact ND2-NZ 3.11Å; N40-K57 PolarHBondContact OD1-NZ 3.17Å; T42-K57 WeakPolarHBondContact O-CE 3.3Å; T42-K57 PolarHBondContact O-NZ 3.35Å; T42-K57 PolarHBondContact OG1-NZ 3.17Å; E45-K57 PolarHBondContact O-NZ 2.93Å; K57-R59 HydrophobicContact CG-CG 4.39Å |
| 58 | I | 95.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.3 | 167.5 | 68.9 | 174.4 | 0 | 0 | 0 | 108.7 | N40 A41 T42 L56 V60 L68 Y71 V75 L103 | N40-I58 PolarHBondContact O-N 3.21Å; A41-I58 HydrophobicContact CB-CD1 3.76Å; A41-I58 HydrophobicContact CB-CG1 3.71Å; T42-I58 PolarHBondContact N-O 2.88Å; T42-I58 VanDerWaalsContact O-O 3.05Å; L56-I58 HydrophobicContact CG-CG2 4.35Å; I58-V60 HydrophobicContact CD1-CG2 4.18Å; I58-V60 HydrophobicContact CG1-CG2 4.03Å; I58-V60 PolarHBondContact O-N 3.07Å; I58-L68 HydrophobicContact CD1-CD1 3.98Å; I58-Y71 HydrophobicContact CB-CD1 4.15Å; I58-Y71 HydrophobicContact CB-CE1 4.32Å; I58-Y71 HydrophobicContact CB-CG 4.31Å; I58-Y71 HydrophobicContact CD1-CG 4.29Å; I58-Y71 HydrophobicContact CG2-CD1 3.8Å; I58-Y71 HydrophobicContact CG2-CE1 4.24Å; I58-Y71 HydrophobicContact CG2-CG 4.22Å; I58-V75 HydrophobicContact CD1-CG2 4.19Å; I58-V75 HydrophobicContact CG2-CG2 4.26Å; I58-L103 HydrophobicContact CD1-CD1 3.45Å; I58-L103 VanDerWaalsContact CD1-CD1 3.45Å; I58-L103 HydrophobicContact CD1-CD2 4.11Å; I58-L103 HydrophobicContact CD1-CG 4.38Å |
| 59 | R | 96.1 | Very high | 95 | Very high | 145 Ų | 145 | 64.5 Ų | 64.5 | 55% | 0.547 | 34% | 0.341 | S | S | . | . | trans | -92 | 95.7 | -175.2 | -58.5 | -171.9 | 79.1 | 87.9 | 5.1 | 108.8 | I43 K57 | I43-R59 HydrophobicContact CG1-CB 4.28Å; I43-R59 PolarHBondContact O-NH2 3.31Å; K57-R59 HydrophobicContact CG-CG 4.39Å | ||
| 60 | V | 95.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -141.2 | 137.7 | -174.7 | -67.4 | 0 | 0 | 0 | 0 | 111.4 | A41 I58 E66 L68 Y71 R99 | A41-V60 HydrophobicContact CB-CG2 4.2Å; I58-V60 HydrophobicContact CD1-CG2 4.18Å; I58-V60 HydrophobicContact CG1-CG2 4.03Å; I58-V60 PolarHBondContact O-N 3.07Å; V60-E66 WeakPolarHBondContact CA-OE1 3.47Å; V60-E66 HydrophobicContact CB-CG 4.16Å; V60-L68 HydrophobicContact CB-CD1 4.19Å; V60-L68 HydrophobicContact CG1-CD1 3.97Å; V60-L68 HydrophobicContact CG2-CD1 3.84Å; V60-Y71 HydrophobicContact CG1-CD2 3.76Å; V60-Y71 HydrophobicContact CG1-CE2 3.45Å; V60-Y71 VanDerWaalsContact CG1-CE2 3.45Å; V60-R99 HydrophobicContact CG2-CG 4.46Å; V60-R99 WeakPolarHBondContact O-CD 3.32Å; V60-R99 PolarHBondContact O-NH1 2.98Å | ||
| 61 | E | 97.1 | Very high | 96 | Very high | 107 Ų | 107 | 58.6 Ų | 58.6 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | trans | -83.7 | 158.9 | 173.5 | -62.5 | -170.1 | -159.6 | 0 | 0 | 112 | I43 H63 E66 F136 | I43-E61 HydrophobicContact CD1-CG 3.38Å; I43-E61 HydrophobicContact CG1-CG 4.2Å; E61-H63 VanDerWaalsContact C-N 3.26Å; E61-H63 HydrophobicContact CB-CB 4.4Å; E61-H63 PolarHBondContact O-N 2.56Å; E61-E66 WeakPolarHBondContact O-CG 3.44Å; E61-F136 WeakPolarHBondContact O-CZ 3.24Å | ||
| 62 | D | 97.4 | Very high | 96.5 | Very high | 43 Ų | 43 | 52.7 Ų | 52.7 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -89 | 65.1 | 171.2 | -171.8 | 17.5 | 0 | 0 | 0 | 110.5 | S98 R99 N133 Y219 | D62-S98 WeakPolarHBondContact OD1-CB 3.47Å; D62-S98 PolarHBondContact OD1-OG 2.62Å; D62-S98 VanDerWaalsContact OD2-CB 3.24Å; D62-S98 WeakPolarHBondContact OD2-CB 3.09Å; D62-R99 HydrophobicContact CB-CG 4.06Å; D62-N133 PolarHBondContact OD1-ND2 2.93Å; D62-Y219 PolarHBondContact OD2-OH 3.08Å; D62-Y219 VanDerWaalsContact OD2-OH 3.07Å |
| 63 | H | 96.7 | Very high | 96.9 | Very high | 55 Ų | 55 | 51.5 Ų | 51.5 | 26% | 0.255 | 26% | 0.26 | S | S | . | . | trans | -125.5 | 142.1 | -176.2 | -167.7 | -103.6 | 0 | 0 | 0 | 111.8 | E61 Q65 E66 | E61-H63 VanDerWaalsContact C-N 3.26Å; E61-H63 HydrophobicContact CB-CB 4.4Å; E61-H63 PolarHBondContact O-N 2.56Å; H63-Q65 PolarHBondContact CE1-OE1 3.15Å; H63-Q65 PolarHBondContact ND1-N 2.88Å; H63-Q65 PolarHBondContact O-N 3.3Å; H63-Q65 VanDerWaalsContact O-N 3.16Å; H63-E66 HydrophobicContact CB-CB 4.32Å; H63-E66 VanDerWaalsContact O-CB 3.25Å; H63-E66 WeakPolarHBondContact O-CB 3.41Å; H63-E66 PolarHBondContact O-N 3.02Å | ||
| 64 | P | 95.4 | Very high | 97 | Very high | 35 Ų | 35 | 53.7 Ų | 53.7 | 23% | 0.227 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.5 | 179 | -26.9 | 35.5 | 0 | 0 | 0 | 115.8 | N133 V134 G135 | P64-N133 WeakPolarHBondContact CA-OD1 3.15Å; P64-N133 HydrophobicContact CG-CB 4.28Å; P64-V134 HydrophobicContact CB-CG2 4.16Å; P64-V134 HydrophobicContact CG-CG2 4.32Å; P64-G135 VanDerWaalsContact O-CA 3.27Å; P64-G135 WeakPolarHBondContact O-CA 3.04Å |
| 65 | Q | 95.8 | Very high | 97.2 | Very high | 161 Ų | 161 | 50.5 Ų | 50.5 | 75% | 0.752 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -6.9 | 176.5 | -62 | 174.1 | -26.3 | 0 | 0 | 113.1 | H63 | H63-Q65 PolarHBondContact CE1-OE1 3.15Å; H63-Q65 PolarHBondContact ND1-N 2.88Å; H63-Q65 PolarHBondContact O-N 3.3Å; H63-Q65 VanDerWaalsContact O-N 3.16Å |
| 66 | E | 97.4 | Very high | 97.3 | Very high | 52 Ų | 52 | 48.4 Ų | 48.4 | 24% | 0.243 | 24% | 0.239 | C | C | . | . | trans | -70.8 | 131.8 | -179.6 | -173.8 | 69.1 | -177.1 | 0 | 0 | 110.9 | V60 E61 H63 L68 F136 Q139 | V60-E66 WeakPolarHBondContact CA-OE1 3.47Å; V60-E66 HydrophobicContact CB-CG 4.16Å; E61-E66 WeakPolarHBondContact O-CG 3.44Å; H63-E66 HydrophobicContact CB-CB 4.32Å; H63-E66 VanDerWaalsContact O-CB 3.25Å; H63-E66 WeakPolarHBondContact O-CB 3.41Å; H63-E66 PolarHBondContact O-N 3.02Å; E66-L68 VanDerWaalsContact C-N 3.29Å; E66-L68 PolarHBondContact O-N 2.91Å; E66-F136 HydrophobicContact CB-CE1 4.07Å; E66-F136 HydrophobicContact CB-CZ 4.42Å; E66-Q139 PolarHBondContact O-NE2 3.42Å | ||
| 67 | L | 97.1 | Very high | 97.4 | Very high | 117 Ų | 117 | 49.6 Ų | 49.6 | 61% | 0.613 | 25% | 0.246 | S | C | * | . | trans | -84.6 | 60.7 | -177.2 | -63.6 | 178.8 | 0 | 0 | 0 | 112.5 | G69 V70 | L67-G69 PolarHBondContact O-N 3.01Å; L67-V70 HydrophobicContact CB-CG1 4.21Å; L67-V70 VanDerWaalsContact O-CG2 3.31Å; L67-V70 WeakPolarHBondContact O-CG2 3.35Å; L67-V70 PolarHBondContact O-N 3.08Å | ||
| 68 | L | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -60.2 | -27.1 | 178.4 | -174.4 | 57 | 0 | 0 | 0 | 113.4 | I58 V60 E66 V70 Y71 F72 T102 L103 F136 Q139 | I58-L68 HydrophobicContact CD1-CD1 3.98Å; V60-L68 HydrophobicContact CB-CD1 4.19Å; V60-L68 HydrophobicContact CG1-CD1 3.97Å; V60-L68 HydrophobicContact CG2-CD1 3.84Å; E66-L68 VanDerWaalsContact C-N 3.29Å; E66-L68 PolarHBondContact O-N 2.91Å; L68-V70 PolarHBondContact O-N 3.06Å; L68-Y71 HydrophobicContact CD1-CD2 4.42Å; L68-Y71 PolarHBondContact O-N 3.38Å; L68-F72 HydrophobicContact CB-CE1 4.48Å; L68-F72 HydrophobicContact CD2-CE1 4.49Å; L68-F72 HydrophobicContact CG-CE1 3.97Å; L68-T102 HydrophobicContact CD2-CG2 3.73Å; L68-L103 HydrophobicContact CD1-CD2 3.9Å; L68-L103 HydrophobicContact CD1-CG 4.32Å; L68-L103 HydrophobicContact CD2-CG 4.49Å; L68-L103 HydrophobicContact CG-CD2 4.17Å; L68-F136 HydrophobicContact CB-CD1 3.8Å; L68-F136 HydrophobicContact CB-CE1 3.48Å; L68-F136 VanDerWaalsContact CB-CE1 3.48Å; L68-F136 HydrophobicContact CB-CZ 3.99Å; L68-F136 HydrophobicContact CD2-CD1 4.06Å; L68-F136 HydrophobicContact CD2-CD2 3.84Å; L68-F136 HydrophobicContact CD2-CE1 3.91Å; L68-F136 HydrophobicContact CD2-CE2 3.67Å; L68-F136 HydrophobicContact CD2-CG 4.04Å; L68-F136 HydrophobicContact CD2-CZ 3.71Å; L68-F136 HydrophobicContact CG-CE1 4.34Å; L68-F136 HydrophobicContact CG-CZ 4.45Å; L68-Q139 VanDerWaalsContact N-OE1 3.08Å |
| 69 | G | 98.1 | Very high | 97.6 | Very high | 19 Ų | 19 | 48.9 Ų | 48.9 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -61.3 | -25 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L67 Y71 F72 | L67-G69 PolarHBondContact O-N 3.01Å; G69-Y71 PolarHBondContact O-N 3.19Å; G69-F72 WeakPolarHBondContact O-CB 3.44Å; G69-F72 PolarHBondContact O-N 2.99Å |
| 70 | V | 97.7 | Very high | 97.8 | Very high | 75 Ų | 75 | 44.6 Ų | 44.6 | 46% | 0.455 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -65.6 | -19.3 | 175.4 | -51.1 | 0 | 0 | 0 | 0 | 112.4 | L67 L68 | L67-V70 HydrophobicContact CB-CG1 4.21Å; L67-V70 VanDerWaalsContact O-CG2 3.31Å; L67-V70 WeakPolarHBondContact O-CG2 3.35Å; L67-V70 PolarHBondContact O-N 3.08Å; L68-V70 PolarHBondContact O-N 3.06Å |
| 71 | Y | 98.5 | Very high | 97.9 | Very high | 22 Ų | 22 | 48.7 Ų | 48.7 | 9% | 0.086 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -98.1 | -3.3 | 178.8 | -60.3 | -74.7 | 0 | 0 | 0 | 113.7 | I58 V60 L68 G69 I74 V75 V270 | I58-Y71 HydrophobicContact CB-CD1 4.15Å; I58-Y71 HydrophobicContact CB-CE1 4.32Å; I58-Y71 HydrophobicContact CB-CG 4.31Å; I58-Y71 HydrophobicContact CD1-CG 4.29Å; I58-Y71 HydrophobicContact CG2-CD1 3.8Å; I58-Y71 HydrophobicContact CG2-CE1 4.24Å; I58-Y71 HydrophobicContact CG2-CG 4.22Å; V60-Y71 HydrophobicContact CG1-CD2 3.76Å; V60-Y71 HydrophobicContact CG1-CE2 3.45Å; V60-Y71 VanDerWaalsContact CG1-CE2 3.45Å; L68-Y71 HydrophobicContact CD1-CD2 4.42Å; L68-Y71 PolarHBondContact O-N 3.38Å; G69-Y71 PolarHBondContact O-N 3.19Å; Y71-I74 HydrophobicContact CD1-CD1 4.22Å; Y71-I74 PolarHBondContact O-N 3.41Å; Y71-V75 WeakPolarHBondContact O-CB 2.94Å; Y71-V75 WeakPolarHBondContact O-CG2 3.46Å; Y71-V75 PolarHBondContact O-N 3.09Å; Y71-V270 HydrophobicContact CE1-CG2 4.42Å |
| 72 | F | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.2 | -51 | -174.3 | -73.9 | -7 | 0 | 0 | 0 | 112.6 | L68 G69 A76 T102 L103 A106 Q139 L140 Y143 | L68-F72 HydrophobicContact CB-CE1 4.48Å; L68-F72 HydrophobicContact CD2-CE1 4.49Å; L68-F72 HydrophobicContact CG-CE1 3.97Å; G69-F72 WeakPolarHBondContact O-CB 3.44Å; G69-F72 PolarHBondContact O-N 2.99Å; F72-A76 WeakPolarHBondContact O-CB 3.45Å; F72-A76 PolarHBondContact O-N 3.11Å; F72-T102 HydrophobicContact CE1-CG2 3.67Å; F72-T102 HydrophobicContact CZ-CG2 3.68Å; F72-L103 HydrophobicContact CD1-CD2 4.02Å; F72-L103 HydrophobicContact CE1-CD2 4.34Å; F72-A106 HydrophobicContact CB-CB 3.96Å; F72-A106 HydrophobicContact CD1-CB 3.85Å; F72-A106 HydrophobicContact CD2-CB 4.18Å; F72-A106 HydrophobicContact CE1-CB 4.36Å; F72-A106 HydrophobicContact CG-CB 3.74Å; F72-Q139 HydrophobicContact CE2-CB 4.14Å; F72-Q139 HydrophobicContact CZ-CB 4.16Å; F72-L140 HydrophobicContact CE2-CD2 3.98Å; F72-L140 HydrophobicContact CE2-CG 4.27Å; F72-L140 HydrophobicContact CZ-CD2 3.92Å; F72-L140 HydrophobicContact CZ-CG 4.02Å; F72-Y143 HydrophobicContact CB-CD2 4.01Å; F72-Y143 HydrophobicContact CB-CE1 4.39Å; F72-Y143 HydrophobicContact CB-CE2 3.63Å; F72-Y143 HydrophobicContact CD2-CD1 4.01Å; F72-Y143 AromaticContact CD2-CD2 3.61Å; F72-Y143 HydrophobicContact CD2-CD2 3.61Å; F72-Y143 HydrophobicContact CD2-CE1 4.48Å; F72-Y143 HydrophobicContact CD2-CE2 4.11Å; F72-Y143 AromaticContact CD2-CG 3.52Å; F72-Y143 HydrophobicContact CD2-CG 3.52Å; F72-Y143 HydrophobicContact CE2-CG 4.16Å; F72-Y143 HydrophobicContact CG-CD2 4.32Å; F72-Y143 HydrophobicContact CG-CE2 4.39Å; F72-Y143 HydrophobicContact CG-CG 4.45Å |
| 73 | D | 98.6 | Very high | 98 | Very high | 43 Ų | 43 | 45.4 Ų | 45.4 | 23% | 0.23 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.1 | -46.7 | 177.9 | -74.2 | -61.6 | 0 | 0 | 0 | 110.8 | V75 A76 D77 K110 Y143 R146 | D73-V75 PolarHBondContact O-N 3.17Å; D73-A76 PolarHBondContact O-N 3.02Å; D73-D77 VanDerWaalsContact O-CB 3.24Å; D73-D77 WeakPolarHBondContact O-CB 3.31Å; D73-D77 PolarHBondContact O-N 3.31Å; D73-D77 VanDerWaalsContact O-OD1 3.04Å; D73-K110 WeakPolarHBondContact OD1-CE 3.36Å; D73-K110 IonicContact OD1-NZ 3.73Å; D73-K110 PolarHBondContact OD1-NZ 2.72Å; D73-Y143 PolarHBondContact OD1-OH 2.74Å; D73-R146 IonicContact OD1-NH1 2.85Å; D73-R146 IonicContact OD2-CZ 3.36Å; D73-R146 IonicContact OD2-NH1 3.36Å; D73-R146 PolarHBondContact OD2-NH1 3.25Å; D73-R146 IonicContact OD2-NH2 2.82Å; D73-R146 PolarHBondContact OD2-NH2 3.18Å |
| 74 | I | 98.4 | Very high | 98.1 | Very high | 67 Ų | 67 | 47.6 Ų | 47.6 | 34% | 0.344 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -55.7 | -49.4 | -179.7 | -61 | 171 | 0 | 0 | 0 | 111.7 | L56 Y71 K78 | L56-I74 HydrophobicContact CD2-CG2 4.38Å; Y71-I74 HydrophobicContact CD1-CD1 4.22Å; Y71-I74 PolarHBondContact O-N 3.41Å; I74-K78 PolarHBondContact O-N 2.88Å; I74-K78 VanDerWaalsContact O-N 3.09Å |
| 75 | V | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -73.9 | -42.3 | -177 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | V39 L56 I58 Y71 D73 D77 K78 I79 L103 | V39-V75 HydrophobicContact CG1-CG1 4.06Å; V39-V75 HydrophobicContact CG1-CG2 4.17Å; V39-V75 HydrophobicContact CG2-CG1 4.33Å; L56-V75 HydrophobicContact CD2-CG2 4.13Å; I58-V75 HydrophobicContact CD1-CG2 4.19Å; I58-V75 HydrophobicContact CG2-CG2 4.26Å; Y71-V75 WeakPolarHBondContact O-CB 2.94Å; Y71-V75 WeakPolarHBondContact O-CG2 3.46Å; Y71-V75 PolarHBondContact O-N 3.09Å; D73-V75 PolarHBondContact O-N 3.17Å; V75-D77 VanDerWaalsContact C-N 3.29Å; V75-D77 PolarHBondContact O-N 2.9Å; V75-K78 PolarHBondContact O-N 3.25Å; V75-I79 HydrophobicContact CG1-CD1 3.9Å; V75-I79 WeakPolarHBondContact O-CD1 3.49Å; V75-I79 VanDerWaalsContact O-CG1 3.29Å; V75-I79 WeakPolarHBondContact O-CG1 3.3Å; V75-I79 PolarHBondContact O-N 3.45Å; V75-L103 HydrophobicContact CB-CD2 4.2Å; V75-L103 HydrophobicContact CG1-CB 4.08Å; V75-L103 HydrophobicContact CG1-CD1 4.43Å; V75-L103 HydrophobicContact CG1-CD2 4.36Å; V75-L103 HydrophobicContact CG2-CD2 4.09Å |
| 76 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F72 D73 I79 K80 K110 Y111 | F72-A76 WeakPolarHBondContact O-CB 3.45Å; F72-A76 PolarHBondContact O-N 3.11Å; D73-A76 PolarHBondContact O-N 3.02Å; A76-I79 PolarHBondContact O-N 3.25Å; A76-K80 PolarHBondContact O-N 3.47Å; A76-K110 HydrophobicContact CB-CB 4.4Å; A76-K110 HydrophobicContact CB-CD 4.04Å; A76-Y111 HydrophobicContact CB-CD2 4.13Å; A76-Y111 HydrophobicContact CB-CE2 4.01Å; A76-Y111 WeakPolarHBondContact O-CE2 3.28Å |
| 77 | D | 98.6 | Very high | 98.3 | Very high | 48 Ų | 48 | 47.6 Ų | 47.6 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69 | -40.1 | -178.5 | -63.5 | 2.5 | 0 | 0 | 0 | 110.5 | D73 V75 I79 K80 I81 K110 Y111 | D73-D77 VanDerWaalsContact O-CB 3.24Å; D73-D77 WeakPolarHBondContact O-CB 3.31Å; D73-D77 PolarHBondContact O-N 3.31Å; D73-D77 VanDerWaalsContact O-OD1 3.04Å; V75-D77 VanDerWaalsContact C-N 3.29Å; V75-D77 PolarHBondContact O-N 2.9Å; D77-I79 PolarHBondContact O-N 3.5Å; D77-K80 PolarHBondContact O-N 3.09Å; D77-I81 WeakPolarHBondContact O-CB 3.43Å; D77-I81 VanDerWaalsContact O-CG1 3.25Å; D77-I81 WeakPolarHBondContact O-CG1 3.45Å; D77-I81 PolarHBondContact O-N 3.21Å; D77-K110 VanDerWaalsContact CG-NZ 3.32Å; D77-K110 WeakPolarHBondContact OD1-CE 3.27Å; D77-K110 IonicContact OD1-NZ 2.64Å; D77-K110 PolarHBondContact OD1-NZ 3.36Å; D77-K110 IonicContact OD2-NZ 2.76Å; D77-K110 PolarHBondContact OD2-NZ 3.47Å; D77-Y111 VanDerWaalsContact OD1-CE2 3.28Å; D77-Y111 WeakPolarHBondContact OD1-CE2 3.39Å; D77-Y111 PolarHBondContact OD1-OH 2.84Å |
| 78 | K | 98.6 | Very high | 98.3 | Very high | 35 Ų | 35 | 46.6 Ų | 46.6 | 15% | 0.152 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 172.5 | -178.1 | 64.3 | -179.6 | -177 | 0 | 111.5 | T37 D54 L56 I74 V75 K80 I81 T82 | T37-K78 HydrophobicContact CG2-CD 4.42Å; T37-K78 HydrophobicContact CG2-CG 4.09Å; D54-K78 IonicContact OD2-NZ 2.88Å; D54-K78 PolarHBondContact OD2-NZ 2.78Å; L56-K78 HydrophobicContact CD2-CB 4.22Å; L56-K78 HydrophobicContact CD2-CG 4.27Å; I74-K78 PolarHBondContact O-N 2.88Å; I74-K78 VanDerWaalsContact O-N 3.09Å; V75-K78 PolarHBondContact O-N 3.25Å; K78-K80 VanDerWaalsContact C-N 3.33Å; K78-K80 PolarHBondContact O-N 2.85Å; K78-I81 PolarHBondContact O-N 3.22Å; K78-T82 WeakPolarHBondContact O-CB 3.47Å; K78-T82 PolarHBondContact O-N 2.93Å; K78-T82 PolarHBondContact O-OG1 3.44Å; K78-T82 VanDerWaalsContact O-OG1 3.13Å |
| 79 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.1 | -43.9 | 177.2 | -64.3 | 159.3 | 0 | 0 | 0 | 110.3 | L17 V75 A76 D77 T82 K83 T89 V91 Y107 | L17-I79 HydrophobicContact CD1-CD1 3.92Å; L17-I79 HydrophobicContact CD1-CG1 4.3Å; L17-I79 HydrophobicContact CD1-CG2 4.18Å; V75-I79 HydrophobicContact CG1-CD1 3.9Å; V75-I79 WeakPolarHBondContact O-CD1 3.49Å; V75-I79 VanDerWaalsContact O-CG1 3.29Å; V75-I79 WeakPolarHBondContact O-CG1 3.3Å; V75-I79 PolarHBondContact O-N 3.45Å; A76-I79 PolarHBondContact O-N 3.25Å; D77-I79 PolarHBondContact O-N 3.5Å; I79-T82 PolarHBondContact O-N 3.37Å; I79-K83 WeakPolarHBondContact O-CB 3.44Å; I79-K83 PolarHBondContact O-N 2.96Å; I79-T89 HydrophobicContact CG1-CG2 3.78Å; I79-V91 HydrophobicContact CD1-CG2 4.07Å; I79-Y107 HydrophobicContact CB-CD2 3.59Å; I79-Y107 HydrophobicContact CB-CE2 3.89Å; I79-Y107 HydrophobicContact CB-CG 4.2Å; I79-Y107 HydrophobicContact CD1-CD2 4.18Å; I79-Y107 HydrophobicContact CD1-CG 4Å; I79-Y107 HydrophobicContact CG2-CD1 4.23Å; I79-Y107 HydrophobicContact CG2-CD2 3.43Å; I79-Y107 VanDerWaalsContact CG2-CD2 3.43Å; I79-Y107 HydrophobicContact CG2-CE1 4.2Å; I79-Y107 HydrophobicContact CG2-CE2 3.36Å; I79-Y107 HydrophobicContact CG2-CG 3.87Å |
| 80 | K | 98.6 | Very high | 98.4 | Very high | 55 Ų | 55 | 45.8 Ų | 45.8 | 24% | 0.239 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.5 | -48.3 | 177.4 | -179.1 | 64.5 | 164.7 | 73.9 | 0 | 112.2 | A76 D77 K78 T82 K83 D84 Y111 | A76-K80 PolarHBondContact O-N 3.47Å; D77-K80 PolarHBondContact O-N 3.09Å; K78-K80 VanDerWaalsContact C-N 3.33Å; K78-K80 PolarHBondContact O-N 2.85Å; K80-T82 VanDerWaalsContact C-N 3.28Å; K80-T82 PolarHBondContact O-N 3.31Å; K80-K83 WeakPolarHBondContact O-CB 3.49Å; K80-K83 PolarHBondContact O-N 3.18Å; K80-K83 VanDerWaalsContact O-N 3.15Å; K80-D84 IonicContact NZ-OD1 2.69Å; K80-D84 PolarHBondContact NZ-OD1 3.08Å; K80-D84 IonicContact NZ-OD2 3.58Å; K80-D84 PolarHBondContact NZ-OD2 2.91Å; K80-D84 PolarHBondContact O-N 3.04Å; K80-Y111 HydrophobicContact CB-CD1 4.07Å; K80-Y111 HydrophobicContact CB-CD2 3.82Å; K80-Y111 HydrophobicContact CB-CE1 3.89Å; K80-Y111 HydrophobicContact CB-CE2 3.61Å; K80-Y111 HydrophobicContact CB-CG 4.02Å; K80-Y111 HydrophobicContact CD-CD1 3.66Å; K80-Y111 HydrophobicContact CD-CE1 4Å; K80-Y111 HydrophobicContact CD-CG 4.01Å; K80-Y111 HydrophobicContact CG-CD1 3.7Å; K80-Y111 HydrophobicContact CG-CD2 4.38Å; K80-Y111 HydrophobicContact CG-CE1 3.51Å; K80-Y111 HydrophobicContact CG-CE2 4.21Å; K80-Y111 HydrophobicContact CG-CG 4.12Å |
| 81 | I | 98.5 | Very high | 98.4 | Very high | 85 Ų | 85 | 42.2 Ų | 42.2 | 44% | 0.436 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.3 | -42.3 | 177.4 | -69.6 | 163.7 | 0 | 0 | 0 | 110.5 | D77 K78 D84 K85 | D77-I81 WeakPolarHBondContact O-CB 3.43Å; D77-I81 VanDerWaalsContact O-CG1 3.25Å; D77-I81 WeakPolarHBondContact O-CG1 3.45Å; D77-I81 PolarHBondContact O-N 3.21Å; K78-I81 PolarHBondContact O-N 3.22Å; I81-D84 PolarHBondContact O-N 3.42Å; I81-K85 HydrophobicContact CG2-CD 4.4Å; I81-K85 WeakPolarHBondContact O-CG 3.42Å; I81-K85 PolarHBondContact O-N 3.32Å |
| 82 | T | 98.4 | Very high | 98.4 | Very high | 6 Ų | 6 | 41.4 Ų | 41.4 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.5 | -43.2 | 176.1 | -65.7 | 0 | 0 | 0 | 0 | 111.4 | T37 K78 I79 K80 D84 K85 G87 T89 | T37-T82 WeakPolarHBondContact OG1-CG2 2.95Å; T37-T82 PolarHBondContact OG1-OG1 3.08Å; K78-T82 WeakPolarHBondContact O-CB 3.47Å; K78-T82 PolarHBondContact O-N 2.93Å; K78-T82 PolarHBondContact O-OG1 3.44Å; K78-T82 VanDerWaalsContact O-OG1 3.13Å; I79-T82 PolarHBondContact O-N 3.37Å; K80-T82 VanDerWaalsContact C-N 3.28Å; K80-T82 PolarHBondContact O-N 3.31Å; T82-D84 PolarHBondContact O-N 2.83Å; T82-K85 PolarHBondContact O-N 2.84Å; T82-G87 VanDerWaalsContact O-CA 3.3Å; T82-G87 WeakPolarHBondContact O-CA 3.28Å; T82-G87 PolarHBondContact O-N 2.7Å; T82-T89 WeakPolarHBondContact CB-OG1 3.45Å; T82-T89 WeakPolarHBondContact CG2-OG1 3.45Å |
| 83 | K | 98.4 | Very high | 98.3 | Very high | 76 Ų | 76 | 41.4 Ų | 41.4 | 33% | 0.33 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.2 | -46.3 | 174.7 | 178 | -172.8 | -175.5 | 179.3 | 0 | 111.5 | C16 I79 K80 K85 G86 Y107 E112 | C16-K83 HydrophobicContact CB-CB 3.97Å; C16-K83 HydrophobicContact CB-CD 4.49Å; C16-K83 HydrophobicContact CB-CG 3.9Å; C16-K83 VanDerWaalsContact SG-CD 3.59Å; I79-K83 WeakPolarHBondContact O-CB 3.44Å; I79-K83 PolarHBondContact O-N 2.96Å; K80-K83 WeakPolarHBondContact O-CB 3.49Å; K80-K83 PolarHBondContact O-N 3.18Å; K80-K83 VanDerWaalsContact O-N 3.15Å; K83-K85 PolarHBondContact O-N 3.39Å; K83-G86 WeakPolarHBondContact O-CA 3.49Å; K83-G86 PolarHBondContact O-N 3.29Å; K83-Y107 WeakPolarHBondContact CD-OH 3.43Å; K83-E112 IonicContact NZ-OE1 2.67Å; K83-E112 PolarHBondContact NZ-OE1 3.18Å; K83-E112 IonicContact NZ-OE2 2.63Å |
| 84 | D | 98.1 | Very high | 98.2 | Very high | 101 Ų | 101 | 41.9 Ų | 41.9 | 54% | 0.54 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66 | -26.6 | -177.2 | -66.8 | -17 | 0 | 0 | 0 | 112.8 | K80 I81 T82 G86 | K80-D84 IonicContact NZ-OD1 2.69Å; K80-D84 PolarHBondContact NZ-OD1 3.08Å; K80-D84 IonicContact NZ-OD2 3.58Å; K80-D84 PolarHBondContact NZ-OD2 2.91Å; K80-D84 PolarHBondContact O-N 3.04Å; I81-D84 PolarHBondContact O-N 3.42Å; T82-D84 PolarHBondContact O-N 2.83Å; D84-G86 PolarHBondContact O-N 3.48Å |
| 85 | K | 97.6 | Very high | 98 | Very high | 169 Ų | 169 | 40.1 Ų | 40.1 | 74% | 0.735 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 6.3 | 171.7 | -66.7 | 177.6 | -179.6 | -175.9 | 0 | 113.5 | I81 T82 K83 G87 | I81-K85 HydrophobicContact CG2-CD 4.4Å; I81-K85 WeakPolarHBondContact O-CG 3.42Å; I81-K85 PolarHBondContact O-N 3.32Å; T82-K85 PolarHBondContact O-N 2.84Å; K83-K85 PolarHBondContact O-N 3.39Å; K85-G87 VanDerWaalsContact C-N 3.25Å; K85-G87 PolarHBondContact O-N 2.73Å |
| 86 | G | 97.5 | Very high | 97.9 | Very high | 70 Ų | 70 | 40 Ų | 40 | 72% | 0.722 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 9.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | K83 D84 | K83-G86 WeakPolarHBondContact O-CA 3.49Å; K83-G86 PolarHBondContact O-N 3.29Å; D84-G86 PolarHBondContact O-N 3.48Å |
| 87 | G | 97.9 | Very high | 97.9 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 9% | 0.093 | 22% | 0.217 | C | C | . | . | trans | -85.5 | 176.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | T36 T82 K85 | T36-G87 VanDerWaalsContact OG1-CA 3.24Å; T36-G87 WeakPolarHBondContact OG1-CA 3.49Å; T82-G87 VanDerWaalsContact O-CA 3.3Å; T82-G87 WeakPolarHBondContact O-CA 3.28Å; T82-G87 PolarHBondContact O-N 2.7Å; K85-G87 VanDerWaalsContact C-N 3.25Å; K85-G87 PolarHBondContact O-N 2.73Å | ||
| 88 | R | 98.5 | Very high | 97.8 | Very high | 96 Ų | 96 | 38.1 Ų | 38.1 | 36% | 0.362 | 21% | 0.205 | S | C | . | . | trans | -131.3 | 135.6 | 177.5 | -57.2 | 172.4 | 175.3 | 177 | 5.4 | 110.7 | C16 Y18 R33 G34 I35 T36 T37 | C16-R88 CarbonylContact O-C 3.53Å; C16-R88 WeakPolarHBondContact O-CA 3.18Å; Y18-R88 HydrophobicContact CD2-CB 4.4Å; Y18-R88 HydrophobicContact CE2-CB 4.12Å; Y18-R88 HydrophobicContact CE2-CG 4.33Å; Y18-R88 PolarHBondContact OH-NH1 2.84Å; R33-R88 WeakPolarHBondContact O-CD 3.39Å; R33-R88 PolarHBondContact O-NH1 3.36Å; G34-R88 WeakPolarHBondContact O-CB 3.28Å; I35-R88 HydrophobicContact CD1-CB 3.98Å; T36-R88 PolarHBondContact N-O 2.85Å; T36-R88 PolarHBondContact OG1-N 3.18Å; T36-R88 VanDerWaalsContact OG1-N 3.11Å; T36-R88 PolarHBondContact OG1-O 3.44Å; T37-R88 PolarHBondContact N-O 3.38Å; T37-R88 VanDerWaalsContact N-O 3.11Å | ||
| 89 | T | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 131.3 | -179.1 | -55 | 0 | 0 | 0 | 0 | 111.1 | C16 L17 Y18 T37 V39 I79 T82 V91 | C16-T89 PolarHBondContact O-N 3.34Å; L17-T89 WeakPolarHBondContact CA-O 3.44Å; Y18-T89 PolarHBondContact N-O 3.24Å; T37-T89 HydrophobicContact CG2-CG2 4.03Å; T37-T89 CarbonylContact O-C 3.43Å; T37-T89 VanDerWaalsContact O-CA 3.29Å; T37-T89 WeakPolarHBondContact O-CA 3.41Å; V39-T89 HydrophobicContact CG2-CG2 3.81Å; I79-T89 HydrophobicContact CG1-CG2 3.78Å; T82-T89 WeakPolarHBondContact CB-OG1 3.45Å; T82-T89 WeakPolarHBondContact CG2-OG1 3.45Å; T89-V91 HydrophobicContact CG2-CG2 4.24Å |
| 90 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 124.2 | 165 | 174.2 | 61.3 | 0 | 0 | 0 | 109.7 | I10 L25 L30 I35 T37 V38 V39 | I10-L90 HydrophobicContact CD1-CD2 4.35Å; I10-L90 HydrophobicContact CG2-CD1 3.77Å; L25-L90 HydrophobicContact CD2-CD2 3.37Å; L30-L90 HydrophobicContact CD2-CD2 3.34Å; I35-L90 HydrophobicContact CD1-CB 4.1Å; I35-L90 HydrophobicContact CG1-CB 4.29Å; I35-L90 HydrophobicContact CG2-CB 3.84Å; T37-L90 PolarHBondContact O-N 2.78Å; V38-L90 CarbonylContact C-O 3.54Å; V38-L90 WeakPolarHBondContact CA-O 3.37Å; V38-L90 HydrophobicContact CG2-CB 4.45Å; V39-L90 PolarHBondContact N-O 3.24Å |
| 91 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 123.7 | 169.8 | -169.5 | 0 | 0 | 0 | 0 | 108.7 | L17 Y18 L19 S20 V39 I79 T89 L103 | L17-V91 HydrophobicContact CD1-CG2 3.79Å; Y18-V91 PolarHBondContact O-N 2.69Å; L19-V91 WeakPolarHBondContact CA-O 3.3Å; S20-V91 PolarHBondContact N-O 3.06Å; V39-V91 HydrophobicContact CB-CB 4.38Å; V39-V91 HydrophobicContact CB-CG1 4.12Å; V39-V91 HydrophobicContact CB-CG2 4.15Å; V39-V91 HydrophobicContact CG1-CG1 4.18Å; V39-V91 HydrophobicContact CG2-CG2 4.33Å; I79-V91 HydrophobicContact CD1-CG2 4.07Å; T89-V91 HydrophobicContact CG2-CG2 4.24Å; V91-L103 HydrophobicContact CG1-CB 4.13Å; V91-L103 HydrophobicContact CG1-CD1 3.92Å |
| 92 | H | 97.9 | Very high | 97.9 | Very high | 5 Ų | 5 | 30.3 Ų | 30.3 | 2% | 0.023 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 157 | 177.3 | 81.3 | 91.9 | 0 | 0 | 0 | 112.3 | S20 L25 V39 N40 A41 S100 | S20-H92 WeakPolarHBondContact O-CA 3.49Å; L25-H92 HydrophobicContact CD1-CB 4.48Å; L25-H92 HydrophobicContact CD2-CB 4.48Å; V39-H92 PolarHBondContact O-CD2 3.44Å; V39-H92 PolarHBondContact O-N 2.91Å; N40-H92 WeakPolarHBondContact CA-NE2 3.28Å; N40-H92 VanDerWaalsContact CB-NE2 3.26Å; N40-H92 WeakPolarHBondContact CB-NE2 3.33Å; N40-H92 PolarHBondContact OD1-CE1 3.02Å; N40-H92 VanDerWaalsContact OD1-CE1 3.29Å; A41-H92 WeakPolarHBondContact CB-O 3.5Å; A41-H92 PolarHBondContact N-O 3.18Å; H92-S100 VanDerWaalsContact C-CB 3.47Å |
| 93 | C | 96.9 | Very high | 97.9 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.02 | 17% | 0.166 | C | C | . | . | trans | -130.1 | -155.3 | 161.3 | 62.4 | 0 | 0 | 0 | 0 | 107.7 | G21 S22 A41 T42 G96 R99 S100 | G21-C93 CarbonylContact C-O 3.5Å; S22-C93 PolarHBondContact N-O 2.85Å; A41-C93 HydrophobicContact CB-CB 4.49Å; A41-C93 WeakPolarHBondContact O-CB 3.5Å; T42-C93 HydrophobicContact CG2-CB 4.1Å; C93-G96 VanDerWaalsContact SG-CA 3.53Å; C93-G96 PolarHBondContact SG-N 2.61Å; C93-R99 HydrophobicContact CB-CB 3.71Å; C93-S100 PolarHBondContact N-OG 3.23Å; C93-S100 PolarHBondContact SG-OG 2.78Å | ||
| 94 | V | 95.8 | Very high | 97.9 | Very high | 53 Ų | 53 | 26.4 Ų | 26.4 | 32% | 0.321 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -65.9 | -63.8 | 176.4 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | G21 S22 T42 E45 R99 | G21-V94 CarbonylContact C-O 3.56Å; G21-V94 WeakPolarHBondContact CA-O 3.33Å; S22-V94 PolarHBondContact N-O 3.11Å; S22-V94 PolarHBondContact OG-O 3.22Å; T42-V94 HydrophobicContact CG2-CG2 3.83Å; E45-V94 HydrophobicContact CG-CG2 4.19Å; V94-R99 VanDerWaalsContact CG2-NH2 3.27Å |
| 95 | A | 95 | Very high | 97.9 | Very high | 29 Ų | 29 | 21.6 Ų | 21.6 | 24% | 0.24 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -94.2 | -14.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V97 R127 | A95-V97 VanDerWaalsContact C-N 3.35Å; A95-V97 HydrophobicContact CB-CB 4.21Å; A95-V97 HydrophobicContact CB-CG2 3.74Å; A95-R127 PolarHBondContact O-NH2 2.93Å |
| 96 | G | 97 | Very high | 98 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | S | Bend | trans | 68.5 | 32.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S20 C93 R127 | S20-G96 WeakPolarHBondContact O-CA 3.24Å; C93-G96 VanDerWaalsContact SG-CA 3.53Å; C93-G96 PolarHBondContact SG-N 2.61Å; G96-R127 VanDerWaalsContact O-CD 3.31Å; G96-R127 WeakPolarHBondContact O-CD 3.29Å; G96-R127 PolarHBondContact O-NE 3.31Å |
| 97 | V | 97.3 | Very high | 98.1 | Very high | 6 Ų | 6 | 10.3 Ų | 10.3 | 4% | 0.036 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -111 | -42.6 | -171.8 | 170.8 | 0 | 0 | 0 | 0 | 112.9 | F7 A95 P101 I129 H131 Y219 | F7-V97 HydrophobicContact CE1-CG2 4.25Å; A95-V97 VanDerWaalsContact C-N 3.35Å; A95-V97 HydrophobicContact CB-CB 4.21Å; A95-V97 HydrophobicContact CB-CG2 3.74Å; V97-P101 WeakPolarHBondContact O-CG 3.48Å; V97-I129 HydrophobicContact CG2-CD1 3.97Å; V97-I129 HydrophobicContact CG2-CG1 4.31Å; V97-H131 HydrophobicContact CG1-CB 3.92Å; V97-H131 CarbonylContact O-C 3.31Å; V97-H131 PolarHBondContact O-N 3.14Å; V97-Y219 HydrophobicContact CG1-CD1 4.48Å; V97-Y219 HydrophobicContact CG1-CE1 3.73Å; V97-Y219 HydrophobicContact CG1-CE2 4.38Å |
| 98 | S | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.007 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -124.2 | -68.5 | -170.5 | 173.8 | 0 | 0 | 0 | 0 | 113.2 | D62 P101 T102 P132 N133 F136 | D62-S98 WeakPolarHBondContact OD1-CB 3.47Å; D62-S98 PolarHBondContact OD1-OG 2.62Å; D62-S98 VanDerWaalsContact OD2-CB 3.24Å; D62-S98 WeakPolarHBondContact OD2-CB 3.09Å; S98-P101 VanDerWaalsContact O-CD 3.24Å; S98-P101 WeakPolarHBondContact O-CD 3.21Å; S98-P101 VanDerWaalsContact O-CG 3.32Å; S98-P101 WeakPolarHBondContact O-CG 3.32Å; S98-T102 WeakPolarHBondContact O-CB 3.16Å; S98-T102 PolarHBondContact O-N 2.88Å; S98-T102 PolarHBondContact O-OG1 3.36Å; S98-P132 WeakPolarHBondContact OG-CA 3.28Å; S98-N133 PolarHBondContact OG-N 3.29Å; S98-N133 VanDerWaalsContact OG-N 3.08Å; S98-F136 WeakPolarHBondContact OG-CD2 3.36Å; S98-F136 WeakPolarHBondContact OG-CE2 3.3Å |
| 99 | R | 98.6 | Very high | 98.1 | Very high | 11 Ų | 11 | 5.5 Ų | 5.5 | 4% | 0.042 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -53.6 | -60.2 | -178.8 | -70.7 | 173.8 | -82.3 | -170.6 | -7.4 | 114.1 | A41 E44 V60 D62 C93 V94 T102 L103 F136 | A41-R99 HydrophobicContact CB-CB 4.28Å; A41-R99 VanDerWaalsContact O-CD 3.32Å; A41-R99 WeakPolarHBondContact O-CD 3.45Å; E44-R99 IonicContact OE1-CZ 3.76Å; E44-R99 IonicContact OE1-NH1 3.31Å; E44-R99 PolarHBondContact OE1-NH1 2.86Å; E44-R99 IonicContact OE1-NH2 3.21Å; E44-R99 PolarHBondContact OE1-NH2 2.89Å; E44-R99 IonicContact OE2-CZ 3.83Å; E44-R99 IonicContact OE2-NH1 2.88Å; E44-R99 PolarHBondContact OE2-NH1 2.88Å; E44-R99 IonicContact OE2-NH2 3.82Å; V60-R99 HydrophobicContact CG2-CG 4.46Å; V60-R99 WeakPolarHBondContact O-CD 3.32Å; V60-R99 PolarHBondContact O-NH1 2.98Å; D62-R99 HydrophobicContact CB-CG 4.06Å; C93-R99 HydrophobicContact CB-CB 3.71Å; V94-R99 VanDerWaalsContact CG2-NH2 3.27Å; R99-T102 WeakPolarHBondContact O-CB 3.49Å; R99-T102 PolarHBondContact O-N 3.17Å; R99-L103 PolarHBondContact O-N 3.24Å; R99-F136 HydrophobicContact CB-CE2 4.34Å; R99-F136 HydrophobicContact CG-CE2 3.68Å; R99-F136 HydrophobicContact CG-CZ 4.02Å |
| 100 | S | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -65 | -42.9 | -177 | 51.9 | 0 | 0 | 0 | 0 | 115.4 | L19 H92 C93 T102 L103 C104 | L19-S100 WeakPolarHBondContact CD1-OG 3.25Å; H92-S100 VanDerWaalsContact C-CB 3.47Å; C93-S100 PolarHBondContact N-OG 3.23Å; C93-S100 PolarHBondContact SG-OG 2.78Å; S100-T102 VanDerWaalsContact C-N 3.28Å; S100-T102 PolarHBondContact O-N 2.81Å; S100-L103 PolarHBondContact O-N 3.32Å; S100-C104 PolarHBondContact O-N 2.8Å; S100-C104 VanDerWaalsContact O-N 3.08Å; S100-C104 PolarHBondContact O-SG 2.63Å; S100-C104 VanDerWaalsContact O-SG 3.37Å |
| 101 | P | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -65 | -30.9 | 175.4 | 20.6 | -28.5 | 0 | 0 | 0 | 113.1 | L19 V97 S98 L103 C104 M105 V123 V130 | L19-P101 HydrophobicContact CD2-CB 3.94Å; V97-P101 WeakPolarHBondContact O-CG 3.48Å; S98-P101 VanDerWaalsContact O-CD 3.24Å; S98-P101 WeakPolarHBondContact O-CD 3.21Å; S98-P101 VanDerWaalsContact O-CG 3.32Å; S98-P101 WeakPolarHBondContact O-CG 3.32Å; P101-L103 VanDerWaalsContact C-N 3.33Å; P101-L103 PolarHBondContact O-N 2.75Å; P101-C104 PolarHBondContact O-N 3.1Å; P101-M105 WeakPolarHBondContact O-CG 3.18Å; P101-M105 PolarHBondContact O-N 2.5Å; P101-V123 HydrophobicContact CB-CG1 3.79Å; P101-V130 HydrophobicContact CB-CB 4.36Å; P101-V130 HydrophobicContact CB-CG1 3.62Å; P101-V130 HydrophobicContact CB-CG2 3.81Å; P101-V130 HydrophobicContact CG-CB 4.49Å; P101-V130 HydrophobicContact CG-CG1 3.91Å; P101-V130 HydrophobicContact CG-CG2 4.04Å |
| 102 | T | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.6 | -46.6 | 172.9 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | L68 F72 S98 R99 S100 M105 A106 F136 L140 | L68-T102 HydrophobicContact CD2-CG2 3.73Å; F72-T102 HydrophobicContact CE1-CG2 3.67Å; F72-T102 HydrophobicContact CZ-CG2 3.68Å; S98-T102 WeakPolarHBondContact O-CB 3.16Å; S98-T102 PolarHBondContact O-N 2.88Å; S98-T102 PolarHBondContact O-OG1 3.36Å; R99-T102 WeakPolarHBondContact O-CB 3.49Å; R99-T102 PolarHBondContact O-N 3.17Å; S100-T102 VanDerWaalsContact C-N 3.28Å; S100-T102 PolarHBondContact O-N 2.81Å; T102-M105 PolarHBondContact O-N 2.92Å; T102-A106 PolarHBondContact O-N 3.38Å; T102-F136 HydrophobicContact CG2-CB 3.86Å; T102-F136 HydrophobicContact CG2-CD2 4.47Å; T102-F136 HydrophobicContact CG2-CG 4.24Å; T102-L140 HydrophobicContact CG2-CD1 3.72Å; T102-L140 HydrophobicContact CG2-CD2 4.22Å; T102-L140 HydrophobicContact CG2-CG 3.82Å |
| 103 | L | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.9 | -39.9 | 177.3 | -62.9 | 166.7 | 0 | 0 | 0 | 112.3 | A41 I58 L68 F72 V75 V91 R99 S100 P101 M105 A106 Y107 | A41-L103 HydrophobicContact CB-CD1 3.63Å; I58-L103 HydrophobicContact CD1-CD1 3.45Å; I58-L103 VanDerWaalsContact CD1-CD1 3.45Å; I58-L103 HydrophobicContact CD1-CD2 4.11Å; I58-L103 HydrophobicContact CD1-CG 4.38Å; L68-L103 HydrophobicContact CD1-CD2 3.9Å; L68-L103 HydrophobicContact CD1-CG 4.32Å; L68-L103 HydrophobicContact CD2-CG 4.49Å; L68-L103 HydrophobicContact CG-CD2 4.17Å; F72-L103 HydrophobicContact CD1-CD2 4.02Å; F72-L103 HydrophobicContact CE1-CD2 4.34Å; V75-L103 HydrophobicContact CB-CD2 4.2Å; V75-L103 HydrophobicContact CG1-CB 4.08Å; V75-L103 HydrophobicContact CG1-CD1 4.43Å; V75-L103 HydrophobicContact CG1-CD2 4.36Å; V75-L103 HydrophobicContact CG2-CD2 4.09Å; V91-L103 HydrophobicContact CG1-CB 4.13Å; V91-L103 HydrophobicContact CG1-CD1 3.92Å; R99-L103 PolarHBondContact O-N 3.24Å; S100-L103 PolarHBondContact O-N 3.32Å; P101-L103 VanDerWaalsContact C-N 3.33Å; P101-L103 PolarHBondContact O-N 2.75Å; L103-M105 VanDerWaalsContact C-N 3.3Å; L103-M105 PolarHBondContact O-N 3.04Å; L103-A106 PolarHBondContact O-N 3.31Å; L103-Y107 PolarHBondContact O-N 3.19Å |
| 104 | C | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.2 | -43 | 174.1 | -67 | 0 | 0 | 0 | 0 | 111.4 | L17 S100 P101 Y107 L108 V123 | L17-C104 HydrophobicContact CD2-CB 3.99Å; S100-C104 PolarHBondContact O-N 2.8Å; S100-C104 VanDerWaalsContact O-N 3.08Å; S100-C104 PolarHBondContact O-SG 2.63Å; S100-C104 VanDerWaalsContact O-SG 3.37Å; P101-C104 PolarHBondContact O-N 3.1Å; C104-Y107 WeakPolarHBondContact O-CB 2.95Å; C104-Y107 PolarHBondContact O-N 3.04Å; C104-L108 WeakPolarHBondContact O-CG 3.34Å; C104-L108 PolarHBondContact O-N 3.49Å; C104-L108 VanDerWaalsContact O-N 3.07Å; C104-V123 HydrophobicContact CB-CG2 4.23Å |
| 105 | M | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.5 | -39.9 | 176.7 | -71 | -172.6 | -75.4 | 0 | 0 | 112.2 | P101 T102 L103 Y107 L108 I109 L116 A119 Y120 V123 P132 L140 | P101-M105 WeakPolarHBondContact O-CG 3.18Å; P101-M105 PolarHBondContact O-N 2.5Å; T102-M105 PolarHBondContact O-N 2.92Å; L103-M105 VanDerWaalsContact C-N 3.3Å; L103-M105 PolarHBondContact O-N 3.04Å; M105-Y107 VanDerWaalsContact C-N 3.3Å; M105-Y107 PolarHBondContact O-N 3.04Å; M105-L108 PolarHBondContact O-N 3.39Å; M105-I109 VanDerWaalsContact O-CG1 3.3Å; M105-I109 WeakPolarHBondContact O-CG1 3.47Å; M105-I109 PolarHBondContact O-N 3.05Å; M105-L116 HydrophobicContact CB-CD1 4.49Å; M105-L116 HydrophobicContact SD-CD1 4.14Å; M105-A119 HydrophobicContact CB-CB 4.17Å; M105-A119 HydrophobicContact CG-CB 4.13Å; M105-Y120 HydrophobicContact CE-CD2 4.36Å; M105-Y120 WeakPolarHBondContact SD-CA 3.5Å; M105-Y120 HydrophobicContact SD-CD2 3.82Å; M105-Y120 HydrophobicContact SD-CG 4.3Å; M105-V123 HydrophobicContact CG-CB 4.43Å; M105-V123 HydrophobicContact CG-CG2 3.96Å; M105-P132 HydrophobicContact CE-CG 3.67Å; M105-L140 HydrophobicContact CB-CD1 4.29Å; M105-L140 HydrophobicContact CB-CD2 4.22Å; M105-L140 HydrophobicContact CE-CD1 3.52Å; M105-L140 HydrophobicContact SD-CD1 4.35Å |
| 106 | A | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.6 | -41.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | F72 T102 L103 I109 K110 L140 Y143 | F72-A106 HydrophobicContact CB-CB 3.96Å; F72-A106 HydrophobicContact CD1-CB 3.85Å; F72-A106 HydrophobicContact CD2-CB 4.18Å; F72-A106 HydrophobicContact CE1-CB 4.36Å; F72-A106 HydrophobicContact CG-CB 3.74Å; T102-A106 PolarHBondContact O-N 3.38Å; L103-A106 PolarHBondContact O-N 3.31Å; A106-I109 PolarHBondContact O-N 3.48Å; A106-K110 WeakPolarHBondContact O-CB 3.12Å; A106-K110 PolarHBondContact O-N 3.48Å; A106-L140 HydrophobicContact CB-CD2 4.17Å; A106-Y143 HydrophobicContact CB-CD1 4.19Å; A106-Y143 HydrophobicContact CB-CE1 3.82Å; A106-Y143 WeakPolarHBondContact O-CE1 3.47Å |
| 107 | Y | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.5 | -49.2 | 172.3 | 165.5 | -94.7 | 0 | 0 | 0 | 112.5 | L17 I79 K83 L103 C104 M105 I109 K110 Y111 E112 | L17-Y107 HydrophobicContact CD2-CD1 3.59Å; L17-Y107 HydrophobicContact CD2-CE1 4.15Å; L17-Y107 HydrophobicContact CD2-CG 4.35Å; I79-Y107 HydrophobicContact CB-CD2 3.59Å; I79-Y107 HydrophobicContact CB-CE2 3.89Å; I79-Y107 HydrophobicContact CB-CG 4.2Å; I79-Y107 HydrophobicContact CD1-CD2 4.18Å; I79-Y107 HydrophobicContact CD1-CG 4Å; I79-Y107 HydrophobicContact CG2-CD1 4.23Å; I79-Y107 HydrophobicContact CG2-CD2 3.43Å; I79-Y107 VanDerWaalsContact CG2-CD2 3.43Å; I79-Y107 HydrophobicContact CG2-CE1 4.2Å; I79-Y107 HydrophobicContact CG2-CE2 3.36Å; I79-Y107 HydrophobicContact CG2-CG 3.87Å; K83-Y107 WeakPolarHBondContact CD-OH 3.43Å; L103-Y107 PolarHBondContact O-N 3.19Å; C104-Y107 WeakPolarHBondContact O-CB 2.95Å; C104-Y107 PolarHBondContact O-N 3.04Å; M105-Y107 VanDerWaalsContact C-N 3.3Å; M105-Y107 PolarHBondContact O-N 3.04Å; Y107-I109 VanDerWaalsContact C-N 3.27Å; Y107-I109 PolarHBondContact O-N 3.4Å; Y107-K110 PolarHBondContact O-N 3.17Å; Y107-Y111 AromaticContact CD2-CD2 3.92Å; Y107-Y111 HydrophobicContact CD2-CD2 3.92Å; Y107-Y111 HydrophobicContact CE2-CD2 4.04Å; Y107-Y111 HydrophobicContact CE2-CG 4.25Å; Y107-Y111 PolarHBondContact O-N 3.1Å; Y107-E112 HydrophobicContact CE1-CG 3.86Å; Y107-E112 PolarHBondContact OH-OE1 3.23Å |
| 108 | L | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.3 | -36.7 | -179.3 | -66.4 | 175.8 | 0 | 0 | 0 | 112 | I13 T14 C104 M105 E112 R113 C114 A119 T122 V123 | I13-L108 HydrophobicContact CG2-CD1 4.21Å; T14-L108 HydrophobicContact CG2-CD2 3.84Å; C104-L108 WeakPolarHBondContact O-CG 3.34Å; C104-L108 PolarHBondContact O-N 3.49Å; C104-L108 VanDerWaalsContact O-N 3.07Å; M105-L108 PolarHBondContact O-N 3.39Å; L108-E112 HydrophobicContact CD2-CB 4.32Å; L108-E112 HydrophobicContact CD2-CG 3.82Å; L108-E112 CarbonylContact O-C 3.51Å; L108-E112 VanDerWaalsContact O-C 3.31Å; L108-E112 WeakPolarHBondContact O-CA 3.44Å; L108-E112 WeakPolarHBondContact O-CB 3.12Å; L108-E112 PolarHBondContact O-N 3.33Å; L108-R113 PolarHBondContact O-N 3.12Å; L108-C114 HydrophobicContact CB-CB 4.31Å; L108-C114 PolarHBondContact O-N 3.31Å; L108-C114 VanDerWaalsContact O-N 3.1Å; L108-A119 HydrophobicContact CB-CB 3.79Å; L108-A119 HydrophobicContact CD1-CB 4.01Å; L108-T122 HydrophobicContact CD1-CG2 4.28Å; L108-V123 HydrophobicContact CD1-CG2 3.78Å |
| 109 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.3 | -50.3 | 174.9 | -69.5 | 163.4 | 0 | 0 | 0 | 110.8 | M105 A106 Y107 R113 C114 L116 A119 L140 Y143 E144 I147 L148 | M105-I109 VanDerWaalsContact O-CG1 3.3Å; M105-I109 WeakPolarHBondContact O-CG1 3.47Å; M105-I109 PolarHBondContact O-N 3.05Å; A106-I109 PolarHBondContact O-N 3.48Å; Y107-I109 VanDerWaalsContact C-N 3.27Å; Y107-I109 PolarHBondContact O-N 3.4Å; I109-R113 WeakPolarHBondContact O-CA 3.34Å; I109-C114 WeakPolarHBondContact CA-O 3.24Å; I109-L116 HydrophobicContact CD1-CB 3.95Å; I109-L116 HydrophobicContact CD1-CD1 3.81Å; I109-L116 HydrophobicContact CD1-CG 4.4Å; I109-A119 HydrophobicContact CG1-CB 4.3Å; I109-L140 HydrophobicContact CD1-CD2 4.21Å; I109-Y143 HydrophobicContact CB-CD1 4.45Å; I109-Y143 HydrophobicContact CB-CE1 4.37Å; I109-Y143 HydrophobicContact CD1-CD1 4.44Å; I109-Y143 HydrophobicContact CG2-CD1 4.1Å; I109-Y143 HydrophobicContact CG2-CE1 4.2Å; I109-E144 HydrophobicContact CD1-CB 4.42Å; I109-I147 HydrophobicContact CG2-CB 4.08Å; I109-I147 HydrophobicContact CG2-CG2 3.99Å; I109-L148 HydrophobicContact CG2-CD1 4.16Å; I109-L148 HydrophobicContact CG2-CG 4.22Å |
| 110 | K | 98.8 | Very high | 98.7 | Very high | 41 Ų | 41 | 27 Ų | 27 | 18% | 0.178 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.8 | -51.6 | -174.7 | -174.5 | 170.6 | 177.8 | 174.9 | 0 | 113.2 | D73 A76 D77 A106 Y107 Y143 | D73-K110 WeakPolarHBondContact OD1-CE 3.36Å; D73-K110 IonicContact OD1-NZ 3.73Å; D73-K110 PolarHBondContact OD1-NZ 2.72Å; A76-K110 HydrophobicContact CB-CB 4.4Å; A76-K110 HydrophobicContact CB-CD 4.04Å; D77-K110 VanDerWaalsContact CG-NZ 3.32Å; D77-K110 WeakPolarHBondContact OD1-CE 3.27Å; D77-K110 IonicContact OD1-NZ 2.64Å; D77-K110 PolarHBondContact OD1-NZ 3.36Å; D77-K110 IonicContact OD2-NZ 2.76Å; D77-K110 PolarHBondContact OD2-NZ 3.47Å; A106-K110 WeakPolarHBondContact O-CB 3.12Å; A106-K110 PolarHBondContact O-N 3.48Å; Y107-K110 PolarHBondContact O-N 3.17Å; K110-Y143 HydrophobicContact CB-CE1 4.41Å; K110-Y143 WeakPolarHBondContact CD-OH 3.43Å |
| 111 | Y | 98.7 | Very high | 98.6 | Very high | 74 Ų | 74 | 32.6 Ų | 32.6 | 29% | 0.29 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -105 | -27.5 | -167.5 | -76 | -68.8 | 0 | 0 | 0 | 114.6 | A76 D77 K80 Y107 | A76-Y111 HydrophobicContact CB-CD2 4.13Å; A76-Y111 HydrophobicContact CB-CE2 4.01Å; A76-Y111 WeakPolarHBondContact O-CE2 3.28Å; D77-Y111 VanDerWaalsContact OD1-CE2 3.28Å; D77-Y111 WeakPolarHBondContact OD1-CE2 3.39Å; D77-Y111 PolarHBondContact OD1-OH 2.84Å; K80-Y111 HydrophobicContact CB-CD1 4.07Å; K80-Y111 HydrophobicContact CB-CD2 3.82Å; K80-Y111 HydrophobicContact CB-CE1 3.89Å; K80-Y111 HydrophobicContact CB-CE2 3.61Å; K80-Y111 HydrophobicContact CB-CG 4.02Å; K80-Y111 HydrophobicContact CD-CD1 3.66Å; K80-Y111 HydrophobicContact CD-CE1 4Å; K80-Y111 HydrophobicContact CD-CG 4.01Å; K80-Y111 HydrophobicContact CG-CD1 3.7Å; K80-Y111 HydrophobicContact CG-CD2 4.38Å; K80-Y111 HydrophobicContact CG-CE1 3.51Å; K80-Y111 HydrophobicContact CG-CE2 4.21Å; K80-Y111 HydrophobicContact CG-CG 4.12Å; Y107-Y111 AromaticContact CD2-CD2 3.92Å; Y107-Y111 HydrophobicContact CD2-CD2 3.92Å; Y107-Y111 HydrophobicContact CE2-CD2 4.04Å; Y107-Y111 HydrophobicContact CE2-CG 4.25Å; Y107-Y111 PolarHBondContact O-N 3.1Å |
| 112 | E | 98.1 | Very high | 98.6 | Very high | 68 Ų | 68 | 34.5 Ų | 34.5 | 32% | 0.318 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -98.6 | 5.4 | 175.4 | -50.6 | -63.1 | 167.2 | 0 | 0 | 111.9 | K83 Y107 L108 C114 | K83-E112 IonicContact NZ-OE1 2.67Å; K83-E112 PolarHBondContact NZ-OE1 3.18Å; K83-E112 IonicContact NZ-OE2 2.63Å; Y107-E112 HydrophobicContact CE1-CG 3.86Å; Y107-E112 PolarHBondContact OH-OE1 3.23Å; L108-E112 HydrophobicContact CD2-CB 4.32Å; L108-E112 HydrophobicContact CD2-CG 3.82Å; L108-E112 CarbonylContact O-C 3.51Å; L108-E112 VanDerWaalsContact O-C 3.31Å; L108-E112 WeakPolarHBondContact O-CA 3.44Å; L108-E112 WeakPolarHBondContact O-CB 3.12Å; L108-E112 PolarHBondContact O-N 3.33Å; E112-C114 PolarHBondContact O-N 3.45Å |
| 113 | R | 98.3 | Very high | 98.6 | Very high | 169 Ų | 169 | 34.5 Ų | 34.5 | 64% | 0.638 | 16% | 0.155 | S | C | * | . | trans | 50.4 | 26.4 | 178.9 | -58.3 | -60.8 | -150.1 | 155.8 | 6.5 | 114 | L108 I109 I147 | L108-R113 PolarHBondContact O-N 3.12Å; I109-R113 WeakPolarHBondContact O-CA 3.34Å; R113-I147 PolarHBondContact NH1-O 3.25Å | ||
| 114 | C | 98.3 | Very high | 98.5 | Very high | 28 Ų | 28 | 36 Ų | 36 | 19% | 0.189 | 16% | 0.162 | C | C | . | . | trans | -72.7 | 139.5 | 178.1 | -71.9 | 0 | 0 | 0 | 0 | 109.9 | L108 I109 E112 Q118 A119 L148 | L108-C114 HydrophobicContact CB-CB 4.31Å; L108-C114 PolarHBondContact O-N 3.31Å; L108-C114 VanDerWaalsContact O-N 3.1Å; I109-C114 WeakPolarHBondContact CA-O 3.24Å; E112-C114 PolarHBondContact O-N 3.45Å; C114-Q118 HydrophobicContact CB-CB 4.26Å; C114-Q118 HydrophobicContact CB-CG 4.34Å; C114-A119 HydrophobicContact CB-CB 4.21Å; C114-L148 WeakPolarHBondContact O-CD1 3.47Å | ||
| 115 | S | 98.7 | Very high | 98.4 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 21% | 0.21 | 19% | 0.194 | C | C | . | . | trans | -59.7 | 152.8 | 162 | 69.7 | 0 | 0 | 0 | 0 | 109.8 | R117 Q118 A119 E144 S152 | S115-R117 PolarHBondContact O-N 3.48Å; S115-Q118 WeakPolarHBondContact O-CA 3.37Å; S115-Q118 WeakPolarHBondContact O-CB 3.43Å; S115-Q118 PolarHBondContact O-N 3.44Å; S115-Q118 WeakPolarHBondContact OG-CB 3.39Å; S115-Q118 PolarHBondContact OG-N 3.3Å; S115-Q118 VanDerWaalsContact OG-N 3.16Å; S115-A119 PolarHBondContact O-N 3.31Å; S115-E144 WeakPolarHBondContact CA-OE1 3.28Å; S115-E144 WeakPolarHBondContact CB-OE1 3.16Å; S115-S152 WeakPolarHBondContact CB-OG 3.38Å | ||
| 116 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56 | -39 | 177.1 | 174.3 | 55.6 | 0 | 0 | 0 | 111.2 | M105 I109 Q118 A119 Y120 W137 L140 I141 E144 S152 I153 | M105-L116 HydrophobicContact CB-CD1 4.49Å; M105-L116 HydrophobicContact SD-CD1 4.14Å; I109-L116 HydrophobicContact CD1-CB 3.95Å; I109-L116 HydrophobicContact CD1-CD1 3.81Å; I109-L116 HydrophobicContact CD1-CG 4.4Å; L116-Q118 PolarHBondContact O-N 2.99Å; L116-A119 PolarHBondContact O-N 3.16Å; L116-Y120 WeakPolarHBondContact O-CB 3.42Å; L116-Y120 PolarHBondContact O-N 3.3Å; L116-W137 HydrophobicContact CD1-CZ3 4.04Å; L116-W137 HydrophobicContact CD2-CE3 4.2Å; L116-W137 HydrophobicContact CD2-CZ3 4.08Å; L116-W137 HydrophobicContact CG-CZ3 4.03Å; L116-L140 HydrophobicContact CD1-CB 3.87Å; L116-L140 HydrophobicContact CD1-CD1 3.92Å; L116-L140 HydrophobicContact CD1-CD2 4.35Å; L116-L140 HydrophobicContact CD1-CG 4.29Å; L116-L140 HydrophobicContact CD2-CB 3.82Å; L116-I141 HydrophobicContact CD2-CB 4.49Å; L116-I141 HydrophobicContact CD2-CG1 3.73Å; L116-E144 HydrophobicContact CB-CB 4.21Å; L116-E144 VanDerWaalsContact CB-CD 3.46Å; L116-E144 HydrophobicContact CB-CG 4.09Å; L116-E144 WeakPolarHBondContact CB-OE2 3.5Å; L116-E144 PolarHBondContact N-OE1 3.04Å; L116-S152 PolarHBondContact N-OG 3.3Å; L116-S152 VanDerWaalsContact N-OG 3.17Å; L116-I153 HydrophobicContact CD2-CB 4.25Å; L116-I153 HydrophobicContact CG-CD1 4.15Å |
| 117 | R | 98.6 | Very high | 98.1 | Very high | 51 Ų | 51 | 41.6 Ų | 41.6 | 19% | 0.192 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 172.4 | -175.7 | 171.2 | -77.5 | -92.5 | 11 | 112.6 | S115 K121 S152 I153 E168 E172 | S115-R117 PolarHBondContact O-N 3.48Å; R117-K121 WeakPolarHBondContact O-CG 3.39Å; R117-K121 PolarHBondContact O-N 3.23Å; R117-K121 VanDerWaalsContact O-N 3.07Å; R117-S152 PolarHBondContact N-OG 3.49Å; R117-S152 PolarHBondContact NE-O 3.24Å; R117-I153 HydrophobicContact CB-CD1 4.09Å; R117-I153 HydrophobicContact CB-CG1 3.9Å; R117-E168 IonicContact CZ-OE1 2.99Å; R117-E168 VanDerWaalsContact NH2-CG 3.32Å; R117-E168 IonicContact NH2-OE1 3.78Å; R117-E168 PolarHBondContact NH2-OE1 3.2Å; R117-E172 IonicContact CZ-OE1 2.69Å; R117-E172 IonicContact CZ-OE2 3.76Å; R117-E172 VanDerWaalsContact NH1-CD 3.31Å; R117-E172 IonicContact NH1-OE1 2.71Å; R117-E172 PolarHBondContact NH1-OE1 2.82Å; R117-E172 IonicContact NH1-OE2 2.76Å; R117-E172 PolarHBondContact NH1-OE2 3.11Å; R117-E172 IonicContact NH2-OE1 3.99Å; R117-E172 PolarHBondContact NH2-OE1 3.46Å |
| 118 | Q | 98.5 | Very high | 97.9 | Very high | 93 Ų | 93 | 44.2 Ų | 44.2 | 44% | 0.435 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.2 | -45.1 | 177.6 | -175.6 | 59.8 | 27 | 0 | 0 | 111.5 | C114 S115 L116 Y120 K121 T122 | C114-Q118 HydrophobicContact CB-CB 4.26Å; C114-Q118 HydrophobicContact CB-CG 4.34Å; S115-Q118 WeakPolarHBondContact O-CA 3.37Å; S115-Q118 WeakPolarHBondContact O-CB 3.43Å; S115-Q118 PolarHBondContact O-N 3.44Å; S115-Q118 WeakPolarHBondContact OG-CB 3.39Å; S115-Q118 PolarHBondContact OG-N 3.3Å; S115-Q118 VanDerWaalsContact OG-N 3.16Å; L116-Q118 PolarHBondContact O-N 2.99Å; Q118-Y120 VanDerWaalsContact C-N 3.31Å; Q118-Y120 PolarHBondContact O-N 3.38Å; Q118-K121 PolarHBondContact O-N 2.99Å; Q118-T122 PolarHBondContact O-N 2.76Å; Q118-T122 PolarHBondContact O-OG1 2.87Å; Q118-T122 VanDerWaalsContact O-OG1 3.11Å |
| 119 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.6 | -44.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | M105 L108 I109 C114 S115 L116 T122 V123 | M105-A119 HydrophobicContact CB-CB 4.17Å; M105-A119 HydrophobicContact CG-CB 4.13Å; L108-A119 HydrophobicContact CB-CB 3.79Å; L108-A119 HydrophobicContact CD1-CB 4.01Å; I109-A119 HydrophobicContact CG1-CB 4.3Å; C114-A119 HydrophobicContact CB-CB 4.21Å; S115-A119 PolarHBondContact O-N 3.31Å; L116-A119 PolarHBondContact O-N 3.16Å; A119-T122 PolarHBondContact O-N 2.94Å; A119-V123 WeakPolarHBondContact O-CG2 3.47Å; A119-V123 PolarHBondContact O-N 2.81Å |
| 120 | Y | 98.6 | Very high | 97.5 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 3% | 0.027 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.6 | -48.6 | 175.5 | 179.2 | -112.4 | 0 | 0 | 0 | 112.1 | M105 L116 Q118 T122 V123 K124 V130 W137 V169 Y170 E173 | M105-Y120 HydrophobicContact CE-CD2 4.36Å; M105-Y120 WeakPolarHBondContact SD-CA 3.5Å; M105-Y120 HydrophobicContact SD-CD2 3.82Å; M105-Y120 HydrophobicContact SD-CG 4.3Å; L116-Y120 WeakPolarHBondContact O-CB 3.42Å; L116-Y120 PolarHBondContact O-N 3.3Å; Q118-Y120 VanDerWaalsContact C-N 3.31Å; Q118-Y120 PolarHBondContact O-N 3.38Å; Y120-T122 VanDerWaalsContact C-N 3.35Å; Y120-T122 PolarHBondContact O-N 2.86Å; Y120-V123 PolarHBondContact O-N 3.35Å; Y120-K124 HydrophobicContact CE2-CD 4.32Å; Y120-K124 WeakPolarHBondContact O-CB 3.43Å; Y120-K124 PolarHBondContact O-N 3.33Å; Y120-K124 WeakPolarHBondContact OH-CE 3.41Å; Y120-K124 PolarHBondContact OH-NZ 3.25Å; Y120-V130 HydrophobicContact CE2-CG1 4.23Å; Y120-W137 HydrophobicContact CD1-CH2 4.13Å; Y120-W137 AromaticContact CD2-CH2 3.43Å; Y120-W137 HydrophobicContact CD2-CH2 3.43Å; Y120-W137 VanDerWaalsContact CD2-CH2 3.43Å; Y120-W137 AromaticContact CD2-CZ2 3.58Å; Y120-W137 HydrophobicContact CD2-CZ2 3.58Å; Y120-W137 AromaticContact CE2-CH2 3.91Å; Y120-W137 HydrophobicContact CE2-CH2 3.91Å; Y120-W137 AromaticContact CE2-CZ2 3.58Å; Y120-W137 HydrophobicContact CE2-CZ2 3.58Å; Y120-W137 AromaticContact CG-CH2 3.56Å; Y120-W137 HydrophobicContact CG-CH2 3.56Å; Y120-W137 HydrophobicContact CG-CZ2 4.12Å; Y120-V169 HydrophobicContact CD1-CB 4.23Å; Y120-V169 HydrophobicContact CD1-CG1 4.36Å; Y120-V169 HydrophobicContact CD1-CG2 4.05Å; Y120-V169 HydrophobicContact CE1-CB 4.01Å; Y120-V169 HydrophobicContact CE1-CG2 3.86Å; Y120-Y170 HydrophobicContact CE2-CE1 4.39Å; Y120-Y170 WeakPolarHBondContact OH-CE1 3.33Å; Y120-E173 VanDerWaalsContact CE1-OE1 3.3Å; Y120-E173 WeakPolarHBondContact CE1-OE1 3.3Å; Y120-E173 VanDerWaalsContact CZ-OE1 3.28Å; Y120-E173 PolarHBondContact OH-OE1 2.97Å |
| 121 | K | 97.8 | Very high | 97.4 | Very high | 118 Ų | 118 | 44 Ų | 44 | 51% | 0.513 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57.4 | -46.1 | 177 | -76.7 | -179 | 177.2 | -175.2 | 0 | 112 | R117 Q118 K124 A125 | R117-K121 WeakPolarHBondContact O-CG 3.39Å; R117-K121 PolarHBondContact O-N 3.23Å; R117-K121 VanDerWaalsContact O-N 3.07Å; Q118-K121 PolarHBondContact O-N 2.99Å; K121-K124 PolarHBondContact O-N 2.92Å; K121-A125 VanDerWaalsContact O-CB 3.29Å; K121-A125 WeakPolarHBondContact O-CB 3.34Å; K121-A125 PolarHBondContact O-N 3.45Å |
| 122 | T | 98.2 | Very high | 97.4 | Very high | 39 Ų | 39 | 40.5 Ų | 40.5 | 24% | 0.239 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.3 | -50.9 | 177.5 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | I13 L108 Q118 A119 Y120 A125 S126 | I13-T122 HydrophobicContact CG2-CG2 4.16Å; L108-T122 HydrophobicContact CD1-CG2 4.28Å; Q118-T122 PolarHBondContact O-N 2.76Å; Q118-T122 PolarHBondContact O-OG1 2.87Å; Q118-T122 VanDerWaalsContact O-OG1 3.11Å; A119-T122 PolarHBondContact O-N 2.94Å; Y120-T122 VanDerWaalsContact C-N 3.35Å; Y120-T122 PolarHBondContact O-N 2.86Å; T122-A125 PolarHBondContact O-N 2.71Å; T122-S126 PolarHBondContact O-N 2.94Å |
| 123 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.2 | -41.1 | -178 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | I13 L19 P101 C104 M105 L108 A119 Y120 S126 R127 V130 | I13-V123 HydrophobicContact CD1-CG1 4.44Å; I13-V123 HydrophobicContact CG2-CG2 3.93Å; L19-V123 HydrophobicContact CD2-CG1 3.81Å; P101-V123 HydrophobicContact CB-CG1 3.79Å; C104-V123 HydrophobicContact CB-CG2 4.23Å; M105-V123 HydrophobicContact CG-CB 4.43Å; M105-V123 HydrophobicContact CG-CG2 3.96Å; L108-V123 HydrophobicContact CD1-CG2 3.78Å; A119-V123 WeakPolarHBondContact O-CG2 3.47Å; A119-V123 PolarHBondContact O-N 2.81Å; Y120-V123 PolarHBondContact O-N 3.35Å; V123-S126 PolarHBondContact O-N 3.01Å; V123-R127 PolarHBondContact O-N 2.93Å; V123-V130 HydrophobicContact CG1-CG1 4.13Å; V123-V130 HydrophobicContact CG1-CG2 3.91Å |
| 124 | K | 96.8 | Very high | 97.3 | Very high | 32 Ų | 32 | 31.8 Ų | 31.8 | 14% | 0.139 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.7 | -37.7 | 178.5 | -169.3 | 73.2 | 168.1 | -145.4 | 0 | 112.1 | Y120 K121 R127 P128 V130 E173 | Y120-K124 HydrophobicContact CE2-CD 4.32Å; Y120-K124 WeakPolarHBondContact O-CB 3.43Å; Y120-K124 PolarHBondContact O-N 3.33Å; Y120-K124 WeakPolarHBondContact OH-CE 3.41Å; Y120-K124 PolarHBondContact OH-NZ 3.25Å; K121-K124 PolarHBondContact O-N 2.92Å; K124-R127 CarbonylContact O-C 3.46Å; K124-R127 PolarHBondContact O-N 3.18Å; K124-P128 WeakPolarHBondContact CE-O 3.44Å; K124-P128 VanDerWaalsContact O-CA 3.26Å; K124-P128 WeakPolarHBondContact O-CA 3.26Å; K124-P128 VanDerWaalsContact O-N 3.14Å; K124-V130 HydrophobicContact CD-CB 4.16Å; K124-V130 PolarHBondContact NZ-O 2.9Å; K124-E173 WeakPolarHBondContact CE-OE1 3.38Å; K124-E173 WeakPolarHBondContact CE-OE2 3.44Å; K124-E173 IonicContact NZ-OE1 2.61Å; K124-E173 PolarHBondContact NZ-OE1 3.26Å; K124-E173 VanDerWaalsContact NZ-OE1 3.1Å; K124-E173 IonicContact NZ-OE2 3.24Å; K124-E173 PolarHBondContact NZ-OE2 2.9Å |
| 125 | A | 96 | Very high | 97.2 | Very high | 83 Ų | 83 | 30.8 Ų | 30.8 | 69% | 0.686 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -62.3 | -43.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K121 T122 | K121-A125 VanDerWaalsContact O-CB 3.29Å; K121-A125 WeakPolarHBondContact O-CB 3.34Å; K121-A125 PolarHBondContact O-N 3.45Å; T122-A125 PolarHBondContact O-N 2.71Å |
| 126 | S | 96.1 | Very high | 97.2 | Very high | 37 Ų | 37 | 29.4 Ų | 29.4 | 26% | 0.259 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -75 | -26.8 | 177.4 | -66 | 0 | 0 | 0 | 0 | 114 | S11 K12 I13 T122 V123 | S11-S126 VanDerWaalsContact CB-O 3.29Å; S11-S126 WeakPolarHBondContact CB-O 3.49Å; S11-S126 PolarHBondContact OG-O 2.83Å; K12-S126 VanDerWaalsContact O-CB 3.24Å; K12-S126 WeakPolarHBondContact O-CB 3.26Å; K12-S126 PolarHBondContact O-OG 3.43Å; I13-S126 VanDerWaalsContact CD1-CB 3.48Å; T122-S126 PolarHBondContact O-N 2.94Å; V123-S126 PolarHBondContact O-N 3.01Å |
| 127 | R | 95.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -143.6 | 89 | 179.4 | -168.3 | 176.5 | -177.4 | 81.8 | 0.1 | 110.7 | S6 Q9 L19 A95 G96 V123 K124 I129 V130 | S6-R127 VanDerWaalsContact O-CZ 3.23Å; S6-R127 PolarHBondContact O-NH1 2.78Å; S6-R127 PolarHBondContact O-NH2 3.17Å; Q9-R127 PolarHBondContact O-NH1 2.59Å; L19-R127 HydrophobicContact CD2-CB 4.11Å; L19-R127 HydrophobicContact CD2-CG 4.43Å; A95-R127 PolarHBondContact O-NH2 2.93Å; G96-R127 VanDerWaalsContact O-CD 3.31Å; G96-R127 WeakPolarHBondContact O-CD 3.29Å; G96-R127 PolarHBondContact O-NE 3.31Å; V123-R127 PolarHBondContact O-N 2.93Å; K124-R127 CarbonylContact O-C 3.46Å; K124-R127 PolarHBondContact O-N 3.18Å; R127-I129 HydrophobicContact CG-CG1 3.85Å; R127-I129 PolarHBondContact O-N 3.39Å; R127-V130 HydrophobicContact CB-CG2 3.77Å; R127-V130 HydrophobicContact CG-CG2 3.9Å; R127-V130 WeakPolarHBondContact O-CB 3.4Å; R127-V130 WeakPolarHBondContact O-CG2 3.42Å; R127-V130 PolarHBondContact O-N 2.97Å | ||
| 128 | P | 94.2 | Very high | 97.2 | Very high | 54 Ų | 54 | 32 Ų | 32 | 35% | 0.351 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22 | -172.7 | -29.4 | 36.9 | 0 | 0 | 0 | 116.2 | K124 V130 | K124-P128 WeakPolarHBondContact CE-O 3.44Å; K124-P128 VanDerWaalsContact O-CA 3.26Å; K124-P128 WeakPolarHBondContact O-CA 3.26Å; K124-P128 VanDerWaalsContact O-N 3.14Å; P128-V130 PolarHBondContact O-N 2.82Å |
| 129 | I | 94.3 | Very high | 97.2 | Very high | 18 Ų | 18 | 29.4 Ų | 29.4 | 9% | 0.092 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -3.3 | 179.1 | 63.3 | 167.2 | 0 | 0 | 0 | 113.7 | F7 V97 R127 H131 | F7-I129 HydrophobicContact CD1-CD1 3.53Å; F7-I129 HydrophobicContact CD2-CD1 4.05Å; F7-I129 HydrophobicContact CD2-CG2 4.49Å; F7-I129 HydrophobicContact CE1-CD1 3.4Å; F7-I129 VanDerWaalsContact CE1-CD1 3.4Å; F7-I129 HydrophobicContact CE2-CD1 3.93Å; F7-I129 HydrophobicContact CE2-CG2 3.88Å; F7-I129 HydrophobicContact CG-CD1 3.86Å; F7-I129 HydrophobicContact CZ-CB 4.32Å; F7-I129 HydrophobicContact CZ-CD1 3.61Å; F7-I129 HydrophobicContact CZ-CG2 4.15Å; V97-I129 HydrophobicContact CG2-CD1 3.97Å; V97-I129 HydrophobicContact CG2-CG1 4.31Å; R127-I129 HydrophobicContact CG-CG1 3.85Å; R127-I129 PolarHBondContact O-N 3.39Å; I129-H131 PolarHBondContact O-N 3.35Å |
| 130 | V | 96.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -58 | 128.2 | 178.8 | 164.5 | 0 | 0 | 0 | 0 | 110.1 | L19 P101 Y120 V123 K124 R127 P128 P132 | L19-V130 HydrophobicContact CD2-CG2 3.95Å; P101-V130 HydrophobicContact CB-CB 4.36Å; P101-V130 HydrophobicContact CB-CG1 3.62Å; P101-V130 HydrophobicContact CB-CG2 3.81Å; P101-V130 HydrophobicContact CG-CB 4.49Å; P101-V130 HydrophobicContact CG-CG1 3.91Å; P101-V130 HydrophobicContact CG-CG2 4.04Å; Y120-V130 HydrophobicContact CE2-CG1 4.23Å; V123-V130 HydrophobicContact CG1-CG1 4.13Å; V123-V130 HydrophobicContact CG1-CG2 3.91Å; K124-V130 HydrophobicContact CD-CB 4.16Å; K124-V130 PolarHBondContact NZ-O 2.9Å; R127-V130 HydrophobicContact CB-CG2 3.77Å; R127-V130 HydrophobicContact CG-CG2 3.9Å; R127-V130 WeakPolarHBondContact O-CB 3.4Å; R127-V130 WeakPolarHBondContact O-CG2 3.42Å; R127-V130 PolarHBondContact O-N 2.97Å; P128-V130 PolarHBondContact O-N 2.82Å; V130-P132 HydrophobicContact CG1-CG 4.44Å | ||
| 131 | H | 96.6 | Very high | 97.2 | Very high | 24 Ų | 24 | 30.1 Ų | 30.1 | 11% | 0.111 | 17% | 0.169 | C | C | . | . | trans | -159.4 | 74.5 | -177.4 | -155.9 | 83.4 | 0 | 0 | 0 | 111.2 | V97 I129 Y170 Y219 Y220 | V97-H131 HydrophobicContact CG1-CB 3.92Å; V97-H131 CarbonylContact O-C 3.31Å; V97-H131 PolarHBondContact O-N 3.14Å; I129-H131 PolarHBondContact O-N 3.35Å; H131-Y170 VanDerWaalsContact CA-OH 3.28Å; H131-Y170 WeakPolarHBondContact CA-OH 3.26Å; H131-Y170 AromaticContact CD2-CE2 3.77Å; H131-Y170 AromaticContact CD2-CZ 3.81Å; H131-Y170 AromaticContact CE1-CD1 3.76Å; H131-Y170 AromaticContact CE1-CD2 3.41Å; H131-Y170 VanDerWaalsContact CE1-CD2 3.41Å; H131-Y170 WeakPolarHBondContact CE1-CD2 3.26Å; H131-Y170 AromaticContact CE1-CE1 3.52Å; H131-Y170 AromaticContact CE1-CE2 3.15Å; H131-Y170 WeakPolarHBondContact CE1-CE2 3.37Å; H131-Y170 AromaticContact CE1-CG 3.7Å; H131-Y170 AromaticContact CE1-CZ 3.17Å; H131-Y170 AromaticContact CG-CZ 3.85Å; H131-Y170 AromaticContact ND1-CE1 3.7Å; H131-Y170 AromaticContact ND1-CE2 3.93Å; H131-Y170 AromaticContact ND1-CZ 3.48Å; H131-Y170 AromaticContact NE2-CD2 3.52Å; H131-Y170 AromaticContact NE2-CE2 3.04Å; H131-Y170 WeakPolarHBondContact NE2-CE2 3.3Å; H131-Y170 AromaticContact NE2-CZ 3.41Å; H131-Y219 HydrophobicContact CB-CE1 4.49Å; H131-Y220 AromaticContact CD2-CE1 3.71Å; H131-Y220 AromaticContact CE1-CE1 3.45Å; H131-Y220 VanDerWaalsContact CE1-CE1 3.45Å; H131-Y220 WeakPolarHBondContact CE1-CE1 3.49Å; H131-Y220 AromaticContact CG-CE1 3.96Å; H131-Y220 AromaticContact ND1-CE1 3.8Å; H131-Y220 PolarHBondContact ND1-OH 2.92Å; H131-Y220 AromaticContact NE2-CE1 3.35Å; H131-Y220 WeakPolarHBondContact NE2-CE1 3.4Å | ||
| 132 | P | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -54.3 | 145.4 | 174.6 | -26.1 | 34.8 | 0 | 0 | 0 | 114.2 | S98 M105 V130 F136 W137 Y170 | S98-P132 WeakPolarHBondContact OG-CA 3.28Å; M105-P132 HydrophobicContact CE-CG 3.67Å; V130-P132 HydrophobicContact CG1-CG 4.44Å; P132-F136 HydrophobicContact CB-CB 4.31Å; P132-W137 PolarHBondContact O-NE1 3.43Å; P132-Y170 WeakPolarHBondContact CD-OH 3.45Å; P132-Y170 PolarHBondContact O-OH 3.27Å | ||
| 133 | N | 97.2 | Very high | 97.3 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 3% | 0.027 | 16% | 0.159 | C | C | . | . | trans | -65.6 | 159.3 | 172.9 | 76 | 55.2 | 0 | 0 | 0 | 111.4 | D62 P64 S98 G135 F136 W137 | D62-N133 PolarHBondContact OD1-ND2 2.93Å; P64-N133 WeakPolarHBondContact CA-OD1 3.15Å; P64-N133 HydrophobicContact CG-CB 4.28Å; S98-N133 PolarHBondContact OG-N 3.29Å; S98-N133 VanDerWaalsContact OG-N 3.08Å; N133-G135 PolarHBondContact O-N 3.08Å; N133-G135 WeakPolarHBondContact OD1-CA 3.15Å; N133-G135 PolarHBondContact OD1-N 3.47Å; N133-F136 WeakPolarHBondContact ND2-CD2 3.06Å; N133-F136 WeakPolarHBondContact ND2-CE2 3.14Å; N133-F136 VanDerWaalsContact ND2-CZ 3.35Å; N133-F136 WeakPolarHBondContact ND2-CZ 3.32Å; N133-F136 PolarHBondContact O-N 3.39Å; N133-F136 VanDerWaalsContact O-N 3.17Å; N133-F136 PolarHBondContact OD1-N 3.29Å; N133-W137 VanDerWaalsContact O-CD1 3.29Å; N133-W137 PolarHBondContact O-N 3.18Å | ||
| 134 | V | 96.6 | Very high | 97.3 | Very high | 49 Ų | 49 | 28.3 Ų | 28.3 | 30% | 0.297 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.1 | -27.5 | -174.6 | -64.2 | 0 | 0 | 0 | 0 | 113.9 | P64 W137 K138 M155 Q165 V166 | P64-V134 HydrophobicContact CB-CG2 4.16Å; P64-V134 HydrophobicContact CG-CG2 4.32Å; V134-W137 PolarHBondContact O-N 3.37Å; V134-K138 WeakPolarHBondContact O-CG 3.43Å; V134-K138 PolarHBondContact O-N 3.07Å; V134-M155 HydrophobicContact CB-CE 4.29Å; V134-Q165 WeakPolarHBondContact CG1-O 3.32Å; V134-V166 HydrophobicContact CG1-CG1 4.39Å |
| 135 | G | 97.4 | Very high | 97.4 | Very high | 7 Ų | 7 | 32 Ų | 32 | 7% | 0.072 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.1 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P64 N133 W137 K138 Q139 | P64-G135 VanDerWaalsContact O-CA 3.27Å; P64-G135 WeakPolarHBondContact O-CA 3.04Å; N133-G135 PolarHBondContact O-N 3.08Å; N133-G135 WeakPolarHBondContact OD1-CA 3.15Å; N133-G135 PolarHBondContact OD1-N 3.47Å; G135-W137 VanDerWaalsContact C-N 3.31Å; G135-W137 PolarHBondContact O-N 3.26Å; G135-K138 PolarHBondContact O-N 3.25Å; G135-Q139 WeakPolarHBondContact O-CG 3.19Å; G135-Q139 PolarHBondContact O-N 3.48Å; G135-Q139 VanDerWaalsContact O-N 3.08Å; G135-Q139 PolarHBondContact O-NE2 2.82Å |
| 136 | F | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.9 | -34.7 | 175.2 | -66.9 | -9.1 | 0 | 0 | 0 | 112.2 | E61 E66 L68 S98 R99 T102 P132 N133 Q139 L140 | E61-F136 WeakPolarHBondContact O-CZ 3.24Å; E66-F136 HydrophobicContact CB-CE1 4.07Å; E66-F136 HydrophobicContact CB-CZ 4.42Å; L68-F136 HydrophobicContact CB-CD1 3.8Å; L68-F136 HydrophobicContact CB-CE1 3.48Å; L68-F136 VanDerWaalsContact CB-CE1 3.48Å; L68-F136 HydrophobicContact CB-CZ 3.99Å; L68-F136 HydrophobicContact CD2-CD1 4.06Å; L68-F136 HydrophobicContact CD2-CD2 3.84Å; L68-F136 HydrophobicContact CD2-CE1 3.91Å; L68-F136 HydrophobicContact CD2-CE2 3.67Å; L68-F136 HydrophobicContact CD2-CG 4.04Å; L68-F136 HydrophobicContact CD2-CZ 3.71Å; L68-F136 HydrophobicContact CG-CE1 4.34Å; L68-F136 HydrophobicContact CG-CZ 4.45Å; S98-F136 WeakPolarHBondContact OG-CD2 3.36Å; S98-F136 WeakPolarHBondContact OG-CE2 3.3Å; R99-F136 HydrophobicContact CB-CE2 4.34Å; R99-F136 HydrophobicContact CG-CE2 3.68Å; R99-F136 HydrophobicContact CG-CZ 4.02Å; T102-F136 HydrophobicContact CG2-CB 3.86Å; T102-F136 HydrophobicContact CG2-CD2 4.47Å; T102-F136 HydrophobicContact CG2-CG 4.24Å; P132-F136 HydrophobicContact CB-CB 4.31Å; N133-F136 WeakPolarHBondContact ND2-CD2 3.06Å; N133-F136 WeakPolarHBondContact ND2-CE2 3.14Å; N133-F136 VanDerWaalsContact ND2-CZ 3.35Å; N133-F136 WeakPolarHBondContact ND2-CZ 3.32Å; N133-F136 PolarHBondContact O-N 3.39Å; N133-F136 VanDerWaalsContact O-N 3.17Å; N133-F136 PolarHBondContact OD1-N 3.29Å; F136-Q139 PolarHBondContact O-N 3.2Å; F136-L140 WeakPolarHBondContact O-CB 3.31Å; F136-L140 WeakPolarHBondContact O-CG 3.33Å; F136-L140 PolarHBondContact O-N 3.3Å |
| 137 | W | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.4 | -48.6 | 170.9 | -82.3 | 106.1 | 0 | 0 | 0 | 112.8 | L116 Y120 P132 N133 V134 G135 Q139 L140 I141 I153 M155 P167 V169 Y170 | L116-W137 HydrophobicContact CD1-CZ3 4.04Å; L116-W137 HydrophobicContact CD2-CE3 4.2Å; L116-W137 HydrophobicContact CD2-CZ3 4.08Å; L116-W137 HydrophobicContact CG-CZ3 4.03Å; Y120-W137 HydrophobicContact CD1-CH2 4.13Å; Y120-W137 AromaticContact CD2-CH2 3.43Å; Y120-W137 HydrophobicContact CD2-CH2 3.43Å; Y120-W137 VanDerWaalsContact CD2-CH2 3.43Å; Y120-W137 AromaticContact CD2-CZ2 3.58Å; Y120-W137 HydrophobicContact CD2-CZ2 3.58Å; Y120-W137 AromaticContact CE2-CH2 3.91Å; Y120-W137 HydrophobicContact CE2-CH2 3.91Å; Y120-W137 AromaticContact CE2-CZ2 3.58Å; Y120-W137 HydrophobicContact CE2-CZ2 3.58Å; Y120-W137 AromaticContact CG-CH2 3.56Å; Y120-W137 HydrophobicContact CG-CH2 3.56Å; Y120-W137 HydrophobicContact CG-CZ2 4.12Å; P132-W137 PolarHBondContact O-NE1 3.43Å; N133-W137 VanDerWaalsContact O-CD1 3.29Å; N133-W137 PolarHBondContact O-N 3.18Å; V134-W137 PolarHBondContact O-N 3.37Å; G135-W137 VanDerWaalsContact C-N 3.31Å; G135-W137 PolarHBondContact O-N 3.26Å; W137-Q139 VanDerWaalsContact C-N 3.27Å; W137-Q139 PolarHBondContact O-N 3.38Å; W137-L140 PolarHBondContact O-N 2.86Å; W137-I141 VanDerWaalsContact O-CG1 3.28Å; W137-I141 WeakPolarHBondContact O-CG1 3.39Å; W137-I141 PolarHBondContact O-N 3.4Å; W137-I153 HydrophobicContact CE3-CG2 4.29Å; W137-I153 HydrophobicContact CH2-CD1 3.84Å; W137-I153 HydrophobicContact CZ3-CD1 3.47Å; W137-I153 VanDerWaalsContact CZ3-CD1 3.47Å; W137-I153 HydrophobicContact CZ3-CG2 4.19Å; W137-M155 HydrophobicContact CB-SD 4.11Å; W137-P167 HydrophobicContact CD2-CB 3.79Å; W137-P167 HydrophobicContact CD2-CG 3.74Å; W137-P167 HydrophobicContact CE3-CB 4.02Å; W137-P167 HydrophobicContact CE3-CG 4.44Å; W137-P167 HydrophobicContact CG-CB 4.03Å; W137-P167 HydrophobicContact CG-CG 3.75Å; W137-P167 HydrophobicContact CZ2-CG 4.24Å; W137-V169 HydrophobicContact CH2-CG2 3.73Å; W137-V169 HydrophobicContact CZ2-CG2 3.94Å; W137-V169 HydrophobicContact CZ3-CG2 4.42Å; W137-Y170 AromaticContact CE2-CZ 3.85Å; W137-Y170 AromaticContact CZ2-CE1 3.84Å; W137-Y170 HydrophobicContact CZ2-CE1 3.84Å; W137-Y170 AromaticContact NE1-CE1 3.83Å; W137-Y170 AromaticContact NE1-CE2 3.61Å; W137-Y170 AromaticContact NE1-CZ 3.15Å; W137-Y170 PolarHBondContact NE1-OH 3.07Å |
| 138 | K | 98.2 | Very high | 97.7 | Very high | 106 Ų | 106 | 36.3 Ų | 36.3 | 46% | 0.461 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -57.4 | -43.1 | 176.8 | -70 | 175.4 | 179.1 | -175.3 | 0 | 111.6 | V134 G135 I141 E142 M155 | V134-K138 WeakPolarHBondContact O-CG 3.43Å; V134-K138 PolarHBondContact O-N 3.07Å; G135-K138 PolarHBondContact O-N 3.25Å; K138-I141 PolarHBondContact O-N 3.4Å; K138-E142 PolarHBondContact O-N 2.97Å; K138-E142 VanDerWaalsContact O-N 3.08Å; K138-M155 HydrophobicContact CG-CE 4.25Å; K138-M155 HydrophobicContact CG-CG 4.16Å; K138-M155 HydrophobicContact CG-SD 4.25Å |
| 139 | Q | 98.7 | Very high | 97.9 | Very high | 38 Ų | 38 | 37 Ų | 37 | 18% | 0.178 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.6 | -40 | 177.6 | -68.5 | 173.1 | 64.5 | 0 | 0 | 112.4 | E66 L68 F72 G135 F136 W137 E142 Y143 | E66-Q139 PolarHBondContact O-NE2 3.42Å; L68-Q139 VanDerWaalsContact N-OE1 3.08Å; F72-Q139 HydrophobicContact CE2-CB 4.14Å; F72-Q139 HydrophobicContact CZ-CB 4.16Å; G135-Q139 WeakPolarHBondContact O-CG 3.19Å; G135-Q139 PolarHBondContact O-N 3.48Å; G135-Q139 VanDerWaalsContact O-N 3.08Å; G135-Q139 PolarHBondContact O-NE2 2.82Å; F136-Q139 PolarHBondContact O-N 3.2Å; W137-Q139 VanDerWaalsContact C-N 3.27Å; W137-Q139 PolarHBondContact O-N 3.38Å; Q139-E142 PolarHBondContact O-N 3.06Å; Q139-Y143 VanDerWaalsContact O-CB 3.3Å; Q139-Y143 WeakPolarHBondContact O-CB 3.47Å; Q139-Y143 PolarHBondContact O-N 2.93Å |
| 140 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.8 | -38.1 | 175.1 | -81.7 | 171.3 | 0 | 0 | 0 | 113 | F72 T102 M105 A106 I109 L116 F136 W137 Y143 E144 | F72-L140 HydrophobicContact CE2-CD2 3.98Å; F72-L140 HydrophobicContact CE2-CG 4.27Å; F72-L140 HydrophobicContact CZ-CD2 3.92Å; F72-L140 HydrophobicContact CZ-CG 4.02Å; T102-L140 HydrophobicContact CG2-CD1 3.72Å; T102-L140 HydrophobicContact CG2-CD2 4.22Å; T102-L140 HydrophobicContact CG2-CG 3.82Å; M105-L140 HydrophobicContact CB-CD1 4.29Å; M105-L140 HydrophobicContact CB-CD2 4.22Å; M105-L140 HydrophobicContact CE-CD1 3.52Å; M105-L140 HydrophobicContact SD-CD1 4.35Å; A106-L140 HydrophobicContact CB-CD2 4.17Å; I109-L140 HydrophobicContact CD1-CD2 4.21Å; L116-L140 HydrophobicContact CD1-CB 3.87Å; L116-L140 HydrophobicContact CD1-CD1 3.92Å; L116-L140 HydrophobicContact CD1-CD2 4.35Å; L116-L140 HydrophobicContact CD1-CG 4.29Å; L116-L140 HydrophobicContact CD2-CB 3.82Å; F136-L140 WeakPolarHBondContact O-CB 3.31Å; F136-L140 WeakPolarHBondContact O-CG 3.33Å; F136-L140 PolarHBondContact O-N 3.3Å; W137-L140 PolarHBondContact O-N 2.86Å; L140-Y143 PolarHBondContact O-N 2.73Å; L140-E144 WeakPolarHBondContact O-CB 3.14Å; L140-E144 PolarHBondContact O-N 3.05Å |
| 141 | I | 98.7 | Very high | 98.2 | Very high | 23 Ų | 23 | 47.3 Ų | 47.3 | 12% | 0.118 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.7 | -49 | 175.4 | -69.9 | 166.2 | 0 | 0 | 0 | 109.1 | L116 W137 K138 Y143 E144 K145 N151 I153 M155 | L116-I141 HydrophobicContact CD2-CB 4.49Å; L116-I141 HydrophobicContact CD2-CG1 3.73Å; W137-I141 VanDerWaalsContact O-CG1 3.28Å; W137-I141 WeakPolarHBondContact O-CG1 3.39Å; W137-I141 PolarHBondContact O-N 3.4Å; K138-I141 PolarHBondContact O-N 3.4Å; I141-Y143 VanDerWaalsContact C-N 3.29Å; I141-Y143 PolarHBondContact O-N 3.23Å; I141-E144 PolarHBondContact O-N 3.41Å; I141-K145 PolarHBondContact O-N 2.9Å; I141-K145 VanDerWaalsContact O-N 3.08Å; I141-N151 HydrophobicContact CG2-CB 4.45Å; I141-N151 WeakPolarHBondContact CG2-ND2 3.4Å; I141-N151 PolarHBondContact O-ND2 3.31Å; I141-I153 HydrophobicContact CD1-CG2 4.22Å; I141-I153 HydrophobicContact CG1-CG2 4.49Å; I141-M155 HydrophobicContact CD1-CG 3.79Å; I141-M155 HydrophobicContact CD1-SD 3.81Å |
| 142 | E | 98.6 | Very high | 98.3 | Very high | 114 Ų | 114 | 47.6 Ų | 47.6 | 53% | 0.533 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.1 | -39.4 | 176.6 | -173.8 | 54.7 | -147.6 | 0 | 0 | 111.9 | K138 Q139 K145 R146 | K138-E142 PolarHBondContact O-N 2.97Å; K138-E142 VanDerWaalsContact O-N 3.08Å; Q139-E142 PolarHBondContact O-N 3.06Å; E142-K145 WeakPolarHBondContact O-CB 3.14Å; E142-K145 PolarHBondContact O-N 2.95Å; E142-R146 PolarHBondContact O-N 3.16Å |
| 143 | Y | 98.8 | Very high | 98.3 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 2% | 0.02 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 176.5 | -171.9 | -109.3 | 0 | 0 | 0 | 113 | F72 D73 A106 I109 K110 Q139 L140 I141 K145 R146 I147 | F72-Y143 HydrophobicContact CB-CD2 4.01Å; F72-Y143 HydrophobicContact CB-CE1 4.39Å; F72-Y143 HydrophobicContact CB-CE2 3.63Å; F72-Y143 HydrophobicContact CD2-CD1 4.01Å; F72-Y143 AromaticContact CD2-CD2 3.61Å; F72-Y143 HydrophobicContact CD2-CD2 3.61Å; F72-Y143 HydrophobicContact CD2-CE1 4.48Å; F72-Y143 HydrophobicContact CD2-CE2 4.11Å; F72-Y143 AromaticContact CD2-CG 3.52Å; F72-Y143 HydrophobicContact CD2-CG 3.52Å; F72-Y143 HydrophobicContact CE2-CG 4.16Å; F72-Y143 HydrophobicContact CG-CD2 4.32Å; F72-Y143 HydrophobicContact CG-CE2 4.39Å; F72-Y143 HydrophobicContact CG-CG 4.45Å; D73-Y143 PolarHBondContact OD1-OH 2.74Å; A106-Y143 HydrophobicContact CB-CD1 4.19Å; A106-Y143 HydrophobicContact CB-CE1 3.82Å; A106-Y143 WeakPolarHBondContact O-CE1 3.47Å; I109-Y143 HydrophobicContact CB-CD1 4.45Å; I109-Y143 HydrophobicContact CB-CE1 4.37Å; I109-Y143 HydrophobicContact CD1-CD1 4.44Å; I109-Y143 HydrophobicContact CG2-CD1 4.1Å; I109-Y143 HydrophobicContact CG2-CE1 4.2Å; K110-Y143 HydrophobicContact CB-CE1 4.41Å; K110-Y143 WeakPolarHBondContact CD-OH 3.43Å; Q139-Y143 VanDerWaalsContact O-CB 3.3Å; Q139-Y143 WeakPolarHBondContact O-CB 3.47Å; Q139-Y143 PolarHBondContact O-N 2.93Å; L140-Y143 PolarHBondContact O-N 2.73Å; I141-Y143 VanDerWaalsContact C-N 3.29Å; I141-Y143 PolarHBondContact O-N 3.23Å; Y143-K145 VanDerWaalsContact C-N 3.31Å; Y143-K145 PolarHBondContact O-N 3.02Å; Y143-R146 PolarHBondContact O-N 3.12Å; Y143-I147 HydrophobicContact CD1-CG1 4.17Å; Y143-I147 HydrophobicContact CD2-CG1 4.16Å; Y143-I147 HydrophobicContact CE1-CG1 3.89Å; Y143-I147 HydrophobicContact CE2-CD1 4.12Å; Y143-I147 HydrophobicContact CE2-CG1 3.9Å; Y143-I147 HydrophobicContact CG-CG1 4.31Å; Y143-I147 WeakPolarHBondContact O-CB 3.34Å; Y143-I147 VanDerWaalsContact O-CG1 3.28Å; Y143-I147 WeakPolarHBondContact O-CG1 3.29Å; Y143-I147 PolarHBondContact O-N 3.3Å |
| 144 | E | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.6 | -45 | 174.7 | -170.3 | -167.9 | -157.7 | 0 | 0 | 111.1 | I109 S115 L116 L140 I141 R146 I147 L148 R150 N151 S152 | I109-E144 HydrophobicContact CD1-CB 4.42Å; S115-E144 WeakPolarHBondContact CA-OE1 3.28Å; S115-E144 WeakPolarHBondContact CB-OE1 3.16Å; L116-E144 HydrophobicContact CB-CB 4.21Å; L116-E144 VanDerWaalsContact CB-CD 3.46Å; L116-E144 HydrophobicContact CB-CG 4.09Å; L116-E144 WeakPolarHBondContact CB-OE2 3.5Å; L116-E144 PolarHBondContact N-OE1 3.04Å; L140-E144 WeakPolarHBondContact O-CB 3.14Å; L140-E144 PolarHBondContact O-N 3.05Å; I141-E144 PolarHBondContact O-N 3.41Å; E144-R146 VanDerWaalsContact C-N 3.34Å; E144-R146 PolarHBondContact O-N 3.38Å; E144-I147 PolarHBondContact O-N 3.03Å; E144-L148 HydrophobicContact CG-CD1 4.03Å; E144-L148 WeakPolarHBondContact O-CB 3.49Å; E144-L148 PolarHBondContact O-N 3.2Å; E144-R150 CarbonylContact C-O 3.57Å; E144-R150 WeakPolarHBondContact CG-O 3.43Å; E144-N151 VanDerWaalsContact OE2-CA 3.28Å; E144-N151 WeakPolarHBondContact OE2-CA 3.37Å; E144-S152 VanDerWaalsContact OE1-CB 3.26Å; E144-S152 WeakPolarHBondContact OE1-CB 3.36Å; E144-S152 PolarHBondContact OE1-N 2.82Å; E144-S152 PolarHBondContact OE1-OG 3.29Å; E144-S152 PolarHBondContact OE2-N 3.18Å; E144-S152 PolarHBondContact OE2-OG 3.29Å |
| 145 | K | 98.7 | Very high | 98.3 | Very high | 110 Ų | 110 | 55.8 Ų | 55.8 | 48% | 0.478 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 177 | -172 | 179.9 | 177.4 | -174.1 | 0 | 111.2 | I141 E142 Y143 G149 | I141-K145 PolarHBondContact O-N 2.9Å; I141-K145 VanDerWaalsContact O-N 3.08Å; E142-K145 WeakPolarHBondContact O-CB 3.14Å; E142-K145 PolarHBondContact O-N 2.95Å; Y143-K145 VanDerWaalsContact C-N 3.31Å; Y143-K145 PolarHBondContact O-N 3.02Å; K145-G149 WeakPolarHBondContact O-CA 3.44Å; K145-G149 PolarHBondContact O-N 3.2Å |
| 146 | R | 98.5 | Very high | 98.1 | Very high | 136 Ų | 136 | 57.7 Ų | 57.7 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 177.9 | 178.9 | 168.7 | 62 | 96.4 | -20.1 | 112.9 | D73 E142 Y143 E144 | D73-R146 IonicContact OD1-NH1 2.85Å; D73-R146 IonicContact OD2-CZ 3.36Å; D73-R146 IonicContact OD2-NH1 3.36Å; D73-R146 PolarHBondContact OD2-NH1 3.25Å; D73-R146 IonicContact OD2-NH2 2.82Å; D73-R146 PolarHBondContact OD2-NH2 3.18Å; E142-R146 PolarHBondContact O-N 3.16Å; Y143-R146 PolarHBondContact O-N 3.12Å; E144-R146 VanDerWaalsContact C-N 3.34Å; E144-R146 PolarHBondContact O-N 3.38Å |
| 147 | I | 98.6 | Very high | 97.7 | Very high | 35 Ų | 35 | 62.6 Ų | 62.6 | 18% | 0.179 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -86.5 | -36.3 | -172.9 | -64.9 | -60.4 | 0 | 0 | 0 | 113.1 | I109 R113 Y143 E144 | I109-I147 HydrophobicContact CG2-CB 4.08Å; I109-I147 HydrophobicContact CG2-CG2 3.99Å; R113-I147 PolarHBondContact NH1-O 3.25Å; Y143-I147 HydrophobicContact CD1-CG1 4.17Å; Y143-I147 HydrophobicContact CD2-CG1 4.16Å; Y143-I147 HydrophobicContact CE1-CG1 3.89Å; Y143-I147 HydrophobicContact CE2-CD1 4.12Å; Y143-I147 HydrophobicContact CE2-CG1 3.9Å; Y143-I147 HydrophobicContact CG-CG1 4.31Å; Y143-I147 WeakPolarHBondContact O-CB 3.34Å; Y143-I147 VanDerWaalsContact O-CG1 3.28Å; Y143-I147 WeakPolarHBondContact O-CG1 3.29Å; Y143-I147 PolarHBondContact O-N 3.3Å; E144-I147 PolarHBondContact O-N 3.03Å |
| 148 | L | 98.5 | Very high | 96.9 | Very high | 39 Ų | 39 | 65.5 Ų | 65.5 | 20% | 0.204 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -116.8 | -4.6 | -172.5 | -56 | -178.2 | 0 | 0 | 0 | 113.8 | I109 C114 E144 R150 | I109-L148 HydrophobicContact CG2-CD1 4.16Å; I109-L148 HydrophobicContact CG2-CG 4.22Å; C114-L148 WeakPolarHBondContact O-CD1 3.47Å; E144-L148 HydrophobicContact CG-CD1 4.03Å; E144-L148 WeakPolarHBondContact O-CB 3.49Å; E144-L148 PolarHBondContact O-N 3.2Å; L148-R150 HydrophobicContact CB-CG 4.44Å; L148-R150 PolarHBondContact O-N 2.94Å |
| 149 | G | 98.4 | Very high | 95.9 | Very high | 67 Ų | 67 | 66.2 Ų | 66.2 | 69% | 0.691 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 74.3 | 5.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | K145 | K145-G149 WeakPolarHBondContact O-CA 3.44Å; K145-G149 PolarHBondContact O-N 3.2Å |
| 150 | R | 98.1 | Very high | 94.6 | Very high | 164 Ų | 164 | 71.7 Ų | 71.7 | 62% | 0.619 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -149.9 | 164.5 | -175.7 | 65.3 | -178.4 | 178.5 | -174.2 | -2.2 | 112.5 | E144 L148 | E144-R150 CarbonylContact C-O 3.57Å; E144-R150 WeakPolarHBondContact CG-O 3.43Å; L148-R150 HydrophobicContact CB-CG 4.44Å; L148-R150 PolarHBondContact O-N 2.94Å |
| 151 | N | 98.4 | Very high | 93.2 | Very high | 72 Ų | 72 | 73.9 Ų | 73.9 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | trans | -116.4 | 136.4 | 172.8 | -67.7 | 126 | 0 | 0 | 0 | 112.4 | I141 E144 | I141-N151 HydrophobicContact CG2-CB 4.45Å; I141-N151 WeakPolarHBondContact CG2-ND2 3.4Å; I141-N151 PolarHBondContact O-ND2 3.31Å; E144-N151 VanDerWaalsContact OE2-CA 3.28Å; E144-N151 WeakPolarHBondContact OE2-CA 3.37Å | ||
| 152 | S | 98.4 | Very high | 91.7 | Very high | 29 Ų | 29 | 77.7 Ų | 77.7 | 20% | 0.203 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -110.8 | -7 | 177.1 | 63.8 | 0 | 0 | 0 | 0 | 114.5 | S115 L116 R117 E144 | S115-S152 WeakPolarHBondContact CB-OG 3.38Å; L116-S152 PolarHBondContact N-OG 3.3Å; L116-S152 VanDerWaalsContact N-OG 3.17Å; R117-S152 PolarHBondContact N-OG 3.49Å; R117-S152 PolarHBondContact NE-O 3.24Å; E144-S152 VanDerWaalsContact OE1-CB 3.26Å; E144-S152 WeakPolarHBondContact OE1-CB 3.36Å; E144-S152 PolarHBondContact OE1-N 2.82Å; E144-S152 PolarHBondContact OE1-OG 3.29Å; E144-S152 PolarHBondContact OE2-N 3.18Å; E144-S152 PolarHBondContact OE2-OG 3.29Å |
| 153 | I | 98 | Very high | 90.3 | Very high | 1 Ų | 1 | 80.5 Ų | 80.5 | 1% | 0.005 | 42% | 0.416 | C | S | . | . | trans | -129.7 | 139.2 | 174 | -71.2 | -174.2 | 0 | 0 | 0 | 109.3 | L116 R117 W137 I141 P167 E168 V169 | L116-I153 HydrophobicContact CD2-CB 4.25Å; L116-I153 HydrophobicContact CG-CD1 4.15Å; R117-I153 HydrophobicContact CB-CD1 4.09Å; R117-I153 HydrophobicContact CB-CG1 3.9Å; W137-I153 HydrophobicContact CE3-CG2 4.29Å; W137-I153 HydrophobicContact CH2-CD1 3.84Å; W137-I153 HydrophobicContact CZ3-CD1 3.47Å; W137-I153 VanDerWaalsContact CZ3-CD1 3.47Å; W137-I153 HydrophobicContact CZ3-CG2 4.19Å; I141-I153 HydrophobicContact CD1-CG2 4.22Å; I141-I153 HydrophobicContact CG1-CG2 4.49Å; I153-P167 HydrophobicContact CG2-CB 3.88Å; I153-E168 WeakPolarHBondContact CA-OE1 3.29Å; I153-E168 HydrophobicContact CG2-CG 4.44Å; I153-V169 HydrophobicContact CD1-CB 4.5Å; I153-V169 HydrophobicContact CD1-CG1 3.61Å; I153-V169 HydrophobicContact CD1-CG2 4.03Å; I153-V169 HydrophobicContact CG1-CG1 4.17Å | ||
| 154 | R | 96.9 | Very high | 89.5 | Confident | 186 Ų | 186 | 81 Ų | 81 | 70% | 0.702 | 42% | 0.421 | S | S | * | . | trans | -113.6 | 151.8 | 174.7 | -58 | 179 | -175.1 | -134.5 | 0.6 | 111.4 | P167 E168 | R154-P167 WeakPolarHBondContact O-CA 3.49Å; R154-E168 PolarHBondContact N-OE1 3.19Å; R154-E168 PolarHBondContact O-N 3.09Å | ||
| 155 | M | 96.4 | Very high | 89.1 | Confident | 39 Ų | 39 | 84.1 Ų | 84.1 | 19% | 0.192 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 126.2 | 165.6 | -61.8 | -58.4 | -66.9 | 0 | 0 | 108.7 | V134 W137 K138 I141 Q165 V166 P167 | V134-M155 HydrophobicContact CB-CE 4.29Å; W137-M155 HydrophobicContact CB-SD 4.11Å; K138-M155 HydrophobicContact CG-CE 4.25Å; K138-M155 HydrophobicContact CG-CG 4.16Å; K138-M155 HydrophobicContact CG-SD 4.25Å; I141-M155 HydrophobicContact CD1-CG 3.79Å; I141-M155 HydrophobicContact CD1-SD 3.81Å; M155-Q165 HydrophobicContact CB-CB 4.26Å; M155-Q165 HydrophobicContact CE-CB 3.99Å; M155-Q165 WeakPolarHBondContact CE-O 3.36Å; M155-V166 CarbonylContact C-O 3.15Å; M155-V166 WeakPolarHBondContact CA-O 3.38Å; M155-P167 HydrophobicContact SD-CB 4.23Å |
| 156 | V | 93.9 | Very high | 88.9 | Confident | 47 Ų | 47 | 80 Ų | 80 | 29% | 0.285 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 143.4 | 179.3 | -62.8 | 0 | 0 | 0 | 0 | 110.2 | Q165 V166 E168 V171 | V156-Q165 VanDerWaalsContact O-CA 3.3Å; V156-Q165 WeakPolarHBondContact O-CA 3.38Å; V156-V166 HydrophobicContact CG2-CG2 4.03Å; V156-V166 WeakPolarHBondContact CG2-O 3.49Å; V156-V166 PolarHBondContact N-O 3.36Å; V156-V166 PolarHBondContact O-N 3Å; V156-E168 HydrophobicContact CG1-CB 3.89Å; V156-E168 HydrophobicContact CG2-CB 4.36Å; V156-V171 HydrophobicContact CG2-CG2 3.75Å |
| 157 | Q | 88.9 | Confident | 88.7 | Confident | 103 Ų | 103 | 73.5 Ų | 73.5 | 48% | 0.481 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 137.8 | 173.4 | -67.6 | -70.5 | 2.4 | 0 | 0 | 109.7 | A164 Q165 | Q157-A164 PolarHBondContact OE1-O 2.79Å; Q157-Q165 VanDerWaalsContact CD-CG 3.42Å; Q157-Q165 HydrophobicContact CG-CG 4.25Å; Q157-Q165 VanDerWaalsContact NE2-CG 3.33Å |
| 158 | L | 82.5 | Confident | 88.6 | Confident | 61 Ų | 61 | 73.8 Ų | 73.8 | 32% | 0.319 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 134.7 | 171.2 | -66.8 | 174.2 | 0 | 0 | 0 | 109.6 | N160 S161 A164 V166 V171 | L158-N160 PolarHBondContact O-N 2.61Å; L158-S161 PolarHBondContact O-N 3.42Å; L158-S161 VanDerWaalsContact O-N 3.15Å; L158-S161 VanDerWaalsContact O-O 3.1Å; L158-A164 HydrophobicContact CD1-CB 4.38Å; L158-A164 PolarHBondContact N-O 3.29Å; L158-V166 HydrophobicContact CD1-CG1 3.97Å; L158-V166 HydrophobicContact CD1-CG2 4.45Å; L158-V166 HydrophobicContact CD2-CG2 3.7Å; L158-V166 HydrophobicContact CG-CG1 4.35Å; L158-V166 HydrophobicContact CG-CG2 4.01Å; L158-V171 HydrophobicContact CD2-CG2 4.41Å |
| 159 | S | 76.4 | Confident | 88.4 | Confident | 122 Ų | 122 | 72.2 Ų | 72.2 | 85% | 0.853 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -27.9 | -179.1 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 160 | N | 72.2 | Confident | 88.2 | Confident | 152 Ų | 152 | 69.5 Ų | 69.5 | 81% | 0.813 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 5.4 | -172.5 | -57.5 | 2.5 | 0 | 0 | 0 | 112.8 | L158 | L158-N160 PolarHBondContact O-N 2.61Š|
| 161 | S | 69.7 | Low | 87.8 | Confident | 47 Ų | 47 | 64.1 Ų | 64.1 | 33% | 0.329 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 112.1 | 178.6 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | L158 F163 A164 | L158-S161 PolarHBondContact O-N 3.42Å; L158-S161 VanDerWaalsContact O-N 3.15Å; L158-S161 VanDerWaalsContact O-O 3.1Å; S161-F163 PolarHBondContact O-N 3.22Å; S161-F163 VanDerWaalsContact O-N 3.11Å; S161-A164 PolarHBondContact O-N 3.04Å; S161-A164 WeakPolarHBondContact OG-CB 3.23Å; S161-A164 PolarHBondContact OG-N 2.9Å |
| 162 | S | 67 | Low | 87.5 | Confident | 102 Ų | 102 | 64.9 Ų | 64.9 | 71% | 0.713 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | -16.1 | -178.3 | -47.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 163 | F | 68.9 | Low | 87 | Confident | 173 Ų | 173 | 65.3 Ų | 65.3 | 76% | 0.759 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.2 | -14.7 | -173.6 | -61.2 | -73.3 | 0 | 0 | 0 | 113.6 | S161 | S161-F163 PolarHBondContact O-N 3.22Å; S161-F163 VanDerWaalsContact O-N 3.11Å |
| 164 | A | 81.5 | Confident | 86.2 | Confident | 15 Ų | 15 | 70.3 Ų | 70.3 | 12% | 0.124 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 108.3 | -174 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q157 L158 S161 A227 | Q157-A164 PolarHBondContact OE1-O 2.79Å; L158-A164 HydrophobicContact CD1-CB 4.38Å; L158-A164 PolarHBondContact N-O 3.29Å; S161-A164 PolarHBondContact O-N 3.04Å; S161-A164 WeakPolarHBondContact OG-CB 3.23Å; S161-A164 PolarHBondContact OG-N 2.9Å; A164-A227 HydrophobicContact CB-CB 4.36Å |
| 165 | Q | 91.3 | Very high | 85.5 | Confident | 66 Ų | 66 | 64.7 Ų | 64.7 | 31% | 0.308 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 137.8 | 168.6 | -68.5 | -177.6 | -16.6 | 0 | 0 | 111.6 | V134 M155 V156 Q157 | V134-Q165 WeakPolarHBondContact CG1-O 3.32Å; M155-Q165 HydrophobicContact CB-CB 4.26Å; M155-Q165 HydrophobicContact CE-CB 3.99Å; M155-Q165 WeakPolarHBondContact CE-O 3.36Å; V156-Q165 VanDerWaalsContact O-CA 3.3Å; V156-Q165 WeakPolarHBondContact O-CA 3.38Å; Q157-Q165 VanDerWaalsContact CD-CG 3.42Å; Q157-Q165 HydrophobicContact CG-CG 4.25Å; Q157-Q165 VanDerWaalsContact NE2-CG 3.33Å |
| 166 | V | 93.4 | Very high | 84.5 | Confident | 23 Ų | 23 | 68.4 Ų | 68.4 | 14% | 0.139 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 154.9 | 173.3 | -62.9 | 0 | 0 | 0 | 0 | 110.1 | V134 M155 V156 L158 V171 | V134-V166 HydrophobicContact CG1-CG1 4.39Å; M155-V166 CarbonylContact C-O 3.15Å; M155-V166 WeakPolarHBondContact CA-O 3.38Å; V156-V166 HydrophobicContact CG2-CG2 4.03Å; V156-V166 WeakPolarHBondContact CG2-O 3.49Å; V156-V166 PolarHBondContact N-O 3.36Å; V156-V166 PolarHBondContact O-N 3Å; L158-V166 HydrophobicContact CD1-CG1 3.97Å; L158-V166 HydrophobicContact CD1-CG2 4.45Å; L158-V166 HydrophobicContact CD2-CG2 3.7Å; L158-V166 HydrophobicContact CG-CG1 4.35Å; L158-V166 HydrophobicContact CG-CG2 4.01Å; V166-V171 HydrophobicContact CG2-CG2 3.89Å |
| 167 | P | 96.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 140.7 | 170.8 | 32.1 | -40 | 0 | 0 | 0 | 110 | W137 I153 R154 M155 V169 Y170 | W137-P167 HydrophobicContact CD2-CB 3.79Å; W137-P167 HydrophobicContact CD2-CG 3.74Å; W137-P167 HydrophobicContact CE3-CB 4.02Å; W137-P167 HydrophobicContact CE3-CG 4.44Å; W137-P167 HydrophobicContact CG-CB 4.03Å; W137-P167 HydrophobicContact CG-CG 3.75Å; W137-P167 HydrophobicContact CZ2-CG 4.24Å; I153-P167 HydrophobicContact CG2-CB 3.88Å; R154-P167 WeakPolarHBondContact O-CA 3.49Å; M155-P167 HydrophobicContact SD-CB 4.23Å; P167-V169 HydrophobicContact CB-CG2 4.01Å; P167-V169 HydrophobicContact CG-CG2 4.22Å; P167-V169 PolarHBondContact O-N 2.96Å; P167-V169 VanDerWaalsContact O-N 3.08Å; P167-Y170 HydrophobicContact CG-CD1 3.95Å; P167-Y170 HydrophobicContact CG-CD2 3.51Å; P167-Y170 HydrophobicContact CG-CE1 4.17Å; P167-Y170 HydrophobicContact CG-CE2 3.74Å; P167-Y170 HydrophobicContact CG-CG 3.63Å; P167-Y170 WeakPolarHBondContact O-CB 3.44Å; P167-Y170 PolarHBondContact O-N 3.32Å |
| 168 | E | 94.8 | Very high | 82.7 | Confident | 42 Ų | 42 | 71.3 Ų | 71.3 | 20% | 0.196 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -54.6 | -31.7 | -177.7 | 64.6 | -169.7 | 170.6 | 0 | 0 | 113.6 | R117 I153 R154 V156 Y170 V171 E172 | R117-E168 IonicContact CZ-OE1 2.99Å; R117-E168 VanDerWaalsContact NH2-CG 3.32Å; R117-E168 IonicContact NH2-OE1 3.78Å; R117-E168 PolarHBondContact NH2-OE1 3.2Å; I153-E168 WeakPolarHBondContact CA-OE1 3.29Å; I153-E168 HydrophobicContact CG2-CG 4.44Å; R154-E168 PolarHBondContact N-OE1 3.19Å; R154-E168 PolarHBondContact O-N 3.09Å; V156-E168 HydrophobicContact CG1-CB 3.89Å; V156-E168 HydrophobicContact CG2-CB 4.36Å; E168-Y170 PolarHBondContact O-N 3.05Å; E168-Y170 VanDerWaalsContact O-N 3.15Å; E168-V171 WeakPolarHBondContact O-CB 3.36Å; E168-V171 PolarHBondContact O-N 3.34Å; E168-E172 WeakPolarHBondContact O-CG 3.29Å; E168-E172 PolarHBondContact O-N 3.47Å |
| 169 | V | 95.5 | Very high | 82 | Confident | 5 Ų | 5 | 74.1 Ų | 74.1 | 3% | 0.03 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61 | -23.5 | 175.9 | -67.1 | 0 | 0 | 0 | 0 | 113.8 | Y120 W137 I153 P167 E173 | Y120-V169 HydrophobicContact CD1-CB 4.23Å; Y120-V169 HydrophobicContact CD1-CG1 4.36Å; Y120-V169 HydrophobicContact CD1-CG2 4.05Å; Y120-V169 HydrophobicContact CE1-CB 4.01Å; Y120-V169 HydrophobicContact CE1-CG2 3.86Å; W137-V169 HydrophobicContact CH2-CG2 3.73Å; W137-V169 HydrophobicContact CZ2-CG2 3.94Å; W137-V169 HydrophobicContact CZ3-CG2 4.42Å; I153-V169 HydrophobicContact CD1-CB 4.5Å; I153-V169 HydrophobicContact CD1-CG1 3.61Å; I153-V169 HydrophobicContact CD1-CG2 4.03Å; I153-V169 HydrophobicContact CG1-CG1 4.17Å; P167-V169 HydrophobicContact CB-CG2 4.01Å; P167-V169 HydrophobicContact CG-CG2 4.22Å; P167-V169 PolarHBondContact O-N 2.96Å; P167-V169 VanDerWaalsContact O-N 3.08Å; V169-E173 WeakPolarHBondContact O-CB 3.25Å; V169-E173 WeakPolarHBondContact O-CG 3.38Å; V169-E173 PolarHBondContact O-N 2.95Å |
| 170 | Y | 94.2 | Very high | 81.8 | Confident | 10 Ų | 10 | 74.6 Ų | 74.6 | 4% | 0.039 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -76.7 | -32.6 | 175 | -72.3 | -0.9 | 0 | 0 | 0 | 112.2 | Y120 H131 P132 W137 P167 E168 Q174 | Y120-Y170 HydrophobicContact CE2-CE1 4.39Å; Y120-Y170 WeakPolarHBondContact OH-CE1 3.33Å; H131-Y170 VanDerWaalsContact CA-OH 3.28Å; H131-Y170 WeakPolarHBondContact CA-OH 3.26Å; H131-Y170 AromaticContact CD2-CE2 3.77Å; H131-Y170 AromaticContact CD2-CZ 3.81Å; H131-Y170 AromaticContact CE1-CD1 3.76Å; H131-Y170 AromaticContact CE1-CD2 3.41Å; H131-Y170 VanDerWaalsContact CE1-CD2 3.41Å; H131-Y170 WeakPolarHBondContact CE1-CD2 3.26Å; H131-Y170 AromaticContact CE1-CE1 3.52Å; H131-Y170 AromaticContact CE1-CE2 3.15Å; H131-Y170 WeakPolarHBondContact CE1-CE2 3.37Å; H131-Y170 AromaticContact CE1-CG 3.7Å; H131-Y170 AromaticContact CE1-CZ 3.17Å; H131-Y170 AromaticContact CG-CZ 3.85Å; H131-Y170 AromaticContact ND1-CE1 3.7Å; H131-Y170 AromaticContact ND1-CE2 3.93Å; H131-Y170 AromaticContact ND1-CZ 3.48Å; H131-Y170 AromaticContact NE2-CD2 3.52Å; H131-Y170 AromaticContact NE2-CE2 3.04Å; H131-Y170 WeakPolarHBondContact NE2-CE2 3.3Å; H131-Y170 AromaticContact NE2-CZ 3.41Å; P132-Y170 WeakPolarHBondContact CD-OH 3.45Å; P132-Y170 PolarHBondContact O-OH 3.27Å; W137-Y170 AromaticContact CE2-CZ 3.85Å; W137-Y170 AromaticContact CZ2-CE1 3.84Å; W137-Y170 HydrophobicContact CZ2-CE1 3.84Å; W137-Y170 AromaticContact NE1-CE1 3.83Å; W137-Y170 AromaticContact NE1-CE2 3.61Å; W137-Y170 AromaticContact NE1-CZ 3.15Å; W137-Y170 PolarHBondContact NE1-OH 3.07Å; P167-Y170 HydrophobicContact CG-CD1 3.95Å; P167-Y170 HydrophobicContact CG-CD2 3.51Å; P167-Y170 HydrophobicContact CG-CE1 4.17Å; P167-Y170 HydrophobicContact CG-CE2 3.74Å; P167-Y170 HydrophobicContact CG-CG 3.63Å; P167-Y170 WeakPolarHBondContact O-CB 3.44Å; P167-Y170 PolarHBondContact O-N 3.32Å; E168-Y170 PolarHBondContact O-N 3.05Å; E168-Y170 VanDerWaalsContact O-N 3.15Å; Y170-Q174 VanDerWaalsContact O-CG 3.31Å; Y170-Q174 WeakPolarHBondContact O-CG 3.24Å; Y170-Q174 PolarHBondContact O-N 3.1Å; Y170-Q174 VanDerWaalsContact O-N 3.17Å |
| 171 | V | 90.1 | Very high | 81.4 | Confident | 52 Ų | 52 | 74.3 Ų | 74.3 | 32% | 0.315 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.2 | -45 | 172.3 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | V156 L158 V166 E168 E173 Q174 T175 | V156-V171 HydrophobicContact CG2-CG2 3.75Å; L158-V171 HydrophobicContact CD2-CG2 4.41Å; V166-V171 HydrophobicContact CG2-CG2 3.89Å; E168-V171 WeakPolarHBondContact O-CB 3.36Å; E168-V171 PolarHBondContact O-N 3.34Å; V171-E173 VanDerWaalsContact C-N 3.33Å; V171-E173 PolarHBondContact O-N 2.95Å; V171-Q174 PolarHBondContact O-N 3.16Å; V171-T175 PolarHBondContact O-N 2.85Å; V171-T175 PolarHBondContact O-OG1 3.28Å; V171-T175 VanDerWaalsContact O-OG1 3.11Å |
| 172 | E | 90.5 | Very high | 80.9 | Confident | 88 Ų | 88 | 76.1 Ų | 76.1 | 41% | 0.411 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -55.5 | -45.7 | 175.3 | -66 | 168.8 | -156.8 | 0 | 0 | 112 | R117 E168 T175 Y176 | R117-E172 IonicContact CZ-OE1 2.69Å; R117-E172 IonicContact CZ-OE2 3.76Å; R117-E172 VanDerWaalsContact NH1-CD 3.31Å; R117-E172 IonicContact NH1-OE1 2.71Å; R117-E172 PolarHBondContact NH1-OE1 2.82Å; R117-E172 IonicContact NH1-OE2 2.76Å; R117-E172 PolarHBondContact NH1-OE2 3.11Å; R117-E172 IonicContact NH2-OE1 3.99Å; R117-E172 PolarHBondContact NH2-OE1 3.46Å; E168-E172 WeakPolarHBondContact O-CG 3.29Å; E168-E172 PolarHBondContact O-N 3.47Å; E172-T175 PolarHBondContact O-N 2.79Å; E172-Y176 PolarHBondContact O-N 2.78Å |
| 173 | E | 88.4 | Confident | 80.6 | Confident | 38 Ų | 38 | 75.3 Ų | 75.3 | 18% | 0.178 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 176.9 | -80.9 | -179 | -166.9 | 0 | 0 | 111.9 | Y120 K124 V169 V171 T175 Y176 F177 | Y120-E173 VanDerWaalsContact CE1-OE1 3.3Å; Y120-E173 WeakPolarHBondContact CE1-OE1 3.3Å; Y120-E173 VanDerWaalsContact CZ-OE1 3.28Å; Y120-E173 PolarHBondContact OH-OE1 2.97Å; K124-E173 WeakPolarHBondContact CE-OE1 3.38Å; K124-E173 WeakPolarHBondContact CE-OE2 3.44Å; K124-E173 IonicContact NZ-OE1 2.61Å; K124-E173 PolarHBondContact NZ-OE1 3.26Å; K124-E173 VanDerWaalsContact NZ-OE1 3.1Å; K124-E173 IonicContact NZ-OE2 3.24Å; K124-E173 PolarHBondContact NZ-OE2 2.9Å; V169-E173 WeakPolarHBondContact O-CB 3.25Å; V169-E173 WeakPolarHBondContact O-CG 3.38Å; V169-E173 PolarHBondContact O-N 2.95Å; V171-E173 VanDerWaalsContact C-N 3.33Å; V171-E173 PolarHBondContact O-N 2.95Å; E173-T175 PolarHBondContact O-N 3.27Å; E173-Y176 PolarHBondContact O-N 3.22Å; E173-F177 HydrophobicContact CB-CE2 4.36Å; E173-F177 WeakPolarHBondContact O-CD2 3.4Å; E173-F177 PolarHBondContact O-N 3.33Å |
| 174 | Q | 81.9 | Confident | 80.1 | Confident | 105 Ų | 105 | 73.5 Ų | 73.5 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 178.3 | -72 | 174.9 | 15.1 | 0 | 0 | 111.2 | Y170 V171 Y176 F177 H178 | Y170-Q174 VanDerWaalsContact O-CG 3.31Å; Y170-Q174 WeakPolarHBondContact O-CG 3.24Å; Y170-Q174 PolarHBondContact O-N 3.1Å; Y170-Q174 VanDerWaalsContact O-N 3.17Å; V171-Q174 PolarHBondContact O-N 3.16Å; Q174-Y176 VanDerWaalsContact C-N 3.33Å; Q174-Y176 PolarHBondContact O-N 2.83Å; Q174-F177 PolarHBondContact O-N 3.45Å; Q174-H178 PolarHBondContact O-N 3.01Å; Q174-H178 VanDerWaalsContact O-N 3.09Å; Q174-H178 PolarHBondContact O-ND1 3.35Å |
| 175 | T | 82.1 | Confident | 78.4 | Confident | 69 Ų | 69 | 79.4 Ų | 79.4 | 42% | 0.423 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 178.3 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | V171 E172 E173 F177 H178 Q179 | V171-T175 PolarHBondContact O-N 2.85Å; V171-T175 PolarHBondContact O-OG1 3.28Å; V171-T175 VanDerWaalsContact O-OG1 3.11Å; E172-T175 PolarHBondContact O-N 2.79Å; E173-T175 PolarHBondContact O-N 3.27Å; T175-F177 VanDerWaalsContact C-N 3.31Å; T175-F177 PolarHBondContact O-N 2.78Å; T175-H178 PolarHBondContact O-N 3.43Å; T175-Q179 WeakPolarHBondContact O-CG 3.43Å; T175-Q179 PolarHBondContact O-N 3.4Å |
| 176 | Y | 75.8 | Confident | 75.9 | Confident | 116 Ų | 116 | 82.3 Ų | 82.3 | 46% | 0.455 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.8 | -39.1 | 176.9 | -173.2 | -96.3 | 0 | 0 | 0 | 112.7 | E172 E173 Q174 R180 | E172-Y176 PolarHBondContact O-N 2.78Å; E173-Y176 PolarHBondContact O-N 3.22Å; Q174-Y176 VanDerWaalsContact C-N 3.33Å; Q174-Y176 PolarHBondContact O-N 2.83Å; Y176-R180 HydrophobicContact CE1-CG 4.33Å; Y176-R180 PolarHBondContact O-N 2.9Å; Y176-R180 PolarHBondContact OH-NE 3.16Å; Y176-R180 VanDerWaalsContact OH-NE 3.16Å; Y176-R180 PolarHBondContact OH-NH2 2.84Å |
| 177 | F | 73.2 | Confident | 73.2 | Confident | 79 Ų | 79 | 86.1 Ų | 86.1 | 35% | 0.346 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 176.1 | -77.7 | -64.9 | 0 | 0 | 0 | 113.3 | E173 Q174 T175 K181 | E173-F177 HydrophobicContact CB-CE2 4.36Å; E173-F177 WeakPolarHBondContact O-CD2 3.4Å; E173-F177 PolarHBondContact O-N 3.33Å; Q174-F177 PolarHBondContact O-N 3.45Å; T175-F177 VanDerWaalsContact C-N 3.31Å; T175-F177 PolarHBondContact O-N 2.78Å; F177-K181 PolarHBondContact O-N 3.39Å |
| 178 | H | 72 | Confident | 70.6 | Confident | 133 Ų | 133 | 98 Ų | 98 | 62% | 0.616 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -68.4 | -42.1 | 177.9 | -70.7 | 89.7 | 0 | 0 | 0 | 111.6 | Q174 T175 R180 K181 S182 | Q174-H178 PolarHBondContact O-N 3.01Å; Q174-H178 VanDerWaalsContact O-N 3.09Å; Q174-H178 PolarHBondContact O-ND1 3.35Å; T175-H178 PolarHBondContact O-N 3.43Å; H178-R180 PolarHBondContact O-N 3.23Å; H178-K181 PolarHBondContact O-N 3.02Å; H178-S182 PolarHBondContact O-N 2.9Å |
| 179 | Q | 66.9 | Low | 68 | Low | 120 Ų | 120 | 101.8 Ų | 101.8 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.6 | -44.3 | 177.8 | -72.2 | 174.5 | -7.6 | 0 | 0 | 112.2 | T175 K181 S182 C183 | T175-Q179 WeakPolarHBondContact O-CG 3.43Å; T175-Q179 PolarHBondContact O-N 3.4Å; Q179-K181 PolarHBondContact O-N 2.95Å; Q179-S182 WeakPolarHBondContact O-CB 3.44Å; Q179-S182 PolarHBondContact O-N 2.94Å; Q179-S182 VanDerWaalsContact O-N 3.17Å; Q179-C183 PolarHBondContact O-N 3.35Å; Q179-C183 VanDerWaalsContact O-N 3.1Å |
| 180 | R | 72.5 | Confident | 65.2 | Low | 132 Ų | 132 | 106.6 Ų | 106.6 | 50% | 0.498 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 177.6 | -87.2 | -167.3 | 166.1 | -176.1 | -2.6 | 113.4 | Y176 H178 S182 C183 D184 | Y176-R180 HydrophobicContact CE1-CG 4.33Å; Y176-R180 PolarHBondContact O-N 2.9Å; Y176-R180 PolarHBondContact OH-NE 3.16Å; Y176-R180 VanDerWaalsContact OH-NE 3.16Å; Y176-R180 PolarHBondContact OH-NH2 2.84Å; H178-R180 PolarHBondContact O-N 3.23Å; R180-S182 PolarHBondContact O-N 3.41Å; R180-C183 PolarHBondContact O-N 3.27Å; R180-C183 VanDerWaalsContact O-N 3.16Å; R180-D184 PolarHBondContact O-N 3.47Å |
| 181 | K | 63 | Low | 62.7 | Low | 146 Ų | 146 | 112.2 Ų | 112.2 | 64% | 0.635 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.9 | -31.4 | 176.4 | -74.8 | -171.5 | 176.5 | -174.7 | 0 | 112.5 | F177 H178 Q179 N185 | F177-K181 PolarHBondContact O-N 3.39Å; H178-K181 PolarHBondContact O-N 3.02Å; Q179-K181 PolarHBondContact O-N 2.95Å; K181-N185 PolarHBondContact O-ND2 2.85Å |
| 182 | S | 60.5 | Low | 59.9 | Low | 85 Ų | 85 | 115.4 Ų | 115.4 | 59% | 0.594 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.7 | -37.5 | 175.5 | -163.4 | 0 | 0 | 0 | 0 | 112.5 | H178 Q179 R180 N185 | H178-S182 PolarHBondContact O-N 2.9Å; Q179-S182 WeakPolarHBondContact O-CB 3.44Å; Q179-S182 PolarHBondContact O-N 2.94Å; Q179-S182 VanDerWaalsContact O-N 3.17Å; R180-S182 PolarHBondContact O-N 3.41Å; S182-N185 PolarHBondContact O-N 3.25Å |
| 183 | C | 59.2 | Low | 57.4 | Low | 85 Ų | 85 | 116.3 Ų | 116.3 | 57% | 0.574 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.8 | -33.3 | 177.5 | -70.5 | 0 | 0 | 0 | 0 | 113.3 | Q179 R180 N185 L186 | Q179-C183 PolarHBondContact O-N 3.35Å; Q179-C183 VanDerWaalsContact O-N 3.1Å; R180-C183 PolarHBondContact O-N 3.27Å; R180-C183 VanDerWaalsContact O-N 3.16Å; C183-N185 PolarHBondContact O-N 3.47Å; C183-L186 WeakPolarHBondContact O-CD1 3.47Å; C183-L186 PolarHBondContact O-N 2.82Å |
| 184 | D | 58.3 | Low | 54.7 | Low | 134 Ų | 134 | 121.5 Ų | 121.5 | 72% | 0.717 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -10 | 176.7 | -68.5 | -23.8 | 0 | 0 | 0 | 112.8 | R180 | R180-D184 PolarHBondContact O-N 3.47Š|
| 185 | N | 46.2 | Very low | 52.5 | Low | 139 Ų | 139 | 122.6 Ų | 122.6 | 74% | 0.743 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 13.6 | 174.9 | -76.1 | -23.6 | 0 | 0 | 0 | 113.8 | K181 S182 C183 | K181-N185 PolarHBondContact O-ND2 2.85Å; S182-N185 PolarHBondContact O-N 3.25Å; C183-N185 PolarHBondContact O-N 3.47Å |
| 186 | L | 40.4 | Very low | 50.3 | Low | 127 Ų | 127 | 126.6 Ų | 126.6 | 67% | 0.665 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -67.4 | 135.6 | 168.4 | -98 | 96.2 | 0 | 0 | 0 | 110.5 | C183 R188 | C183-L186 WeakPolarHBondContact O-CD1 3.47Å; C183-L186 PolarHBondContact O-N 2.82Å; L186-R188 PolarHBondContact O-N 2.86Å |
| 187 | P | 36.7 | Very low | 48.1 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | trans | -60.4 | 126.1 | 177.9 | 0.8 | 7 | 0 | 0 | 0 | 109 | T189 | P187-T189 PolarHBondContact O-N 3.38Š| ||
| 188 | R | 40.9 | Very low | 46 | Very low | 250 Ų | 250 | 136.6 Ų | 136.6 | 94% | 0.943 | 72% | 0.718 | S | S | * | * | trans | -60 | 93.5 | 162.4 | -82.6 | -179.7 | 172.8 | -178.6 | -3.2 | 107.2 | L186 S190 | L186-R188 PolarHBondContact O-N 2.86Å; R188-S190 PolarHBondContact O-N 3.13Å | ||
| 189 | T | 40.6 | Very low | 44.1 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | trans | -64.9 | 117 | 169.1 | 49.7 | 0 | 0 | 0 | 0 | 107.4 | P187 V191 | P187-T189 PolarHBondContact O-N 3.38Å; T189-V191 PolarHBondContact O-N 3.38Å | ||
| 190 | S | 36.1 | Very low | 42.5 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | trans | -62.2 | 98.2 | 177.3 | 52.9 | 0 | 0 | 0 | 0 | 110.2 | R188 | R188-S190 PolarHBondContact O-N 3.13Š| ||
| 191 | V | 41 | Very low | 40.7 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 78% | 0.782 | 75% | 0.747 | S | S | * | * | trans | -91.6 | 98.2 | 155.1 | -171.1 | 0 | 0 | 0 | 0 | 106 | T189 | T189-V191 PolarHBondContact O-N 3.38Š| ||
| 192 | V | 31.8 | Very low | 39.1 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | trans | -73 | 119.6 | 167.8 | 179.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 193 | S | 39.1 | Very low | 37.8 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -162 | 127.3 | 156.1 | -69.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 194 | D | 30.8 | Very low | 36.4 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -60.6 | 156.4 | -166.8 | -57.2 | -71.1 | 0 | 0 | 0 | 115.1 | ||||
| 195 | V | 36.1 | Very low | 34.9 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | 164.9 | 104.4 | 127.2 | 163 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 196 | I | 35.7 | Very low | 34.3 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | 65.7 | 103.4 | 137 | -51.8 | 176.3 | 0 | 0 | 0 | 120.4 | ||||
| 197 | R | 29.3 | Very low | 33.9 | Very low | 233 Ų | 233 | 138.8 Ų | 138.8 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | trans | 20 | 133.6 | 140.1 | -75.3 | 178.9 | 174.4 | -176.6 | -1.7 | 121 | ||||
| 198 | L | 28.9 | Very low | 34.1 | Very low | 173 Ų | 173 | 138 Ų | 138 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | -162.4 | 146.9 | 107 | -94.1 | 168.1 | 0 | 0 | 0 | 111.1 | |||||
| 199 | P | 33 | Very low | 34 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 69% | 0.688 | 74% | 0.743 | S | S | * | * | trans | -100.5 | 144.6 | -163.3 | 37.2 | -31.7 | 0 | 0 | 0 | 116.3 | ||||
| 200 | V | 31.8 | Very low | 33.7 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 65% | 0.648 | 73% | 0.729 | S | S | * | * | trans | 40.1 | 117.8 | 133.2 | -169.3 | 0 | 0 | 0 | 0 | 120 | T202 | V200-T202 VanDerWaalsContact CG1-OG1 3.26Å; V200-T202 WeakPolarHBondContact CG1-OG1 3.24Å | ||
| 201 | H | 35.9 | Very low | 33.6 | Very low | 203 Ų | 203 | 130.6 Ų | 130.6 | 94% | 0.94 | 73% | 0.725 | S | S | * | * | -129.8 | 115 | 125.8 | -86.3 | -70.3 | 0 | 0 | 0 | 110.5 | |||||
| 202 | T | 28.7 | Very low | 33.8 | Very low | 107 Ų | 107 | 126.1 Ų | 126.1 | 66% | 0.656 | 70% | 0.7 | S | S | * | * | trans | -75.5 | 126.1 | 176.5 | -49.1 | 0 | 0 | 0 | 0 | 110.3 | V200 | V200-T202 VanDerWaalsContact CG1-OG1 3.26Å; V200-T202 WeakPolarHBondContact CG1-OG1 3.24Å | ||
| 203 | L | 32.9 | Very low | 34.4 | Very low | 171 Ų | 171 | 123.8 Ų | 123.8 | 90% | 0.895 | 68% | 0.683 | S | S | * | * | trans | -131.9 | 124.8 | 149.4 | -77.9 | 176.3 | 0 | 0 | 0 | 109.1 | A205 | L203-A205 PolarHBondContact O-N 2.93Š| ||
| 204 | H | 29.4 | Very low | 34.9 | Very low | 175 Ų | 175 | 125.9 Ų | 125.9 | 81% | 0.81 | 68% | 0.675 | S | S | * | * | trans | -41.1 | 114.7 | -176 | -93.5 | -100.1 | 0 | 0 | 0 | 114.4 | ||||
| 205 | A | 28.5 | Very low | 35.8 | Very low | 96 Ų | 96 | 123.6 Ų | 123.6 | 79% | 0.793 | 66% | 0.658 | S | S | * | * | trans | -101.2 | 89.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109 | L203 S207 | L203-A205 PolarHBondContact O-N 2.93Å; A205-S207 PolarHBondContact O-N 2.88Å | ||
| 206 | T | 32.4 | Very low | 36.2 | Very low | 113 Ų | 113 | 120.1 Ų | 120.1 | 69% | 0.693 | 63% | 0.633 | S | S | * | * | trans | -65.2 | 127.6 | 160.3 | 46.1 | 0 | 0 | 0 | 0 | 108.6 | T208 | T206-T208 PolarHBondContact O-N 3.46Š| ||
| 207 | S | 33.2 | Very low | 37 | Very low | 69 Ų | 69 | 119 Ų | 119 | 48% | 0.483 | 62% | 0.623 | S | S | . | * | trans | -43.3 | 88.3 | -168.2 | 50.9 | 0 | 0 | 0 | 0 | 117 | A205 T209 E210 | A205-S207 PolarHBondContact O-N 2.88Å; S207-T209 PolarHBondContact O-N 3.15Å; S207-E210 PolarHBondContact O-N 2.88Å | ||
| 208 | T | 39.8 | Very low | 38.2 | Very low | 87 Ų | 87 | 116.8 Ų | 116.8 | 53% | 0.534 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.3 | -10.5 | 176.5 | 47.6 | 0 | 0 | 0 | 0 | 114.8 | T206 | T206-T208 PolarHBondContact O-N 3.46Š|
| 209 | T | 38.5 | Very low | 39 | Very low | 100 Ų | 100 | 110.4 Ų | 110.4 | 61% | 0.613 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.4 | -34.9 | 175.2 | 23.4 | 0 | 0 | 0 | 0 | 112.6 | S207 L211 S212 D213 | S207-T209 PolarHBondContact O-N 3.15Å; T209-L211 PolarHBondContact O-N 2.9Å; T209-S212 PolarHBondContact O-OG 3.47Å; T209-S212 VanDerWaalsContact O-OG 3.12Å; T209-D213 PolarHBondContact O-N 3Å |
| 210 | E | 34.9 | Very low | 39.7 | Very low | 94 Ų | 94 | 108.9 Ų | 108.9 | 44% | 0.439 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68 | -34.3 | -176.5 | -72.6 | -161.1 | -173.6 | 0 | 0 | 113.8 | S207 S212 D213 R214 | S207-E210 PolarHBondContact O-N 2.88Å; E210-S212 PolarHBondContact O-N 2.62Å; E210-D213 PolarHBondContact O-N 3.11Å; E210-R214 WeakPolarHBondContact O-CB 3.29Å; E210-R214 VanDerWaalsContact O-CG 3.27Å; E210-R214 WeakPolarHBondContact O-CG 3.39Å; E210-R214 PolarHBondContact O-N 2.76Å; E210-R214 IonicContact OE2-CZ 3.55Å; E210-R214 IonicContact OE2-NE 3.58Å; E210-R214 IonicContact OE2-NH2 2.78Å; E210-R214 PolarHBondContact OE2-NH2 3.48Å |
| 211 | L | 33 | Very low | 40.8 | Very low | 126 Ų | 126 | 113.1 Ų | 113.1 | 66% | 0.66 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.9 | -38.6 | -175.6 | -71.7 | 171.7 | 0 | 0 | 0 | 112.1 | T209 F215 | T209-L211 PolarHBondContact O-N 2.9Å; L211-F215 PolarHBondContact O-N 2.9Å; L211-F215 VanDerWaalsContact O-N 3.09Å |
| 212 | S | 45.4 | Very low | 41.4 | Very low | 35 Ų | 35 | 112.3 Ų | 112.3 | 25% | 0.245 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -67.8 | -40.6 | 176.1 | 73.9 | 0 | 0 | 0 | 0 | 111.8 | T209 E210 F215 Q216 | T209-S212 PolarHBondContact O-OG 3.47Å; T209-S212 VanDerWaalsContact O-OG 3.12Å; E210-S212 PolarHBondContact O-N 2.62Å; S212-F215 PolarHBondContact O-N 2.84Å; S212-Q216 WeakPolarHBondContact O-CB 3.32Å; S212-Q216 PolarHBondContact O-N 2.78Å |
| 213 | D | 44.4 | Very low | 42.1 | Very low | 69 Ų | 69 | 109.2 Ų | 109.2 | 37% | 0.369 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70 | -38.8 | -178.3 | -140.4 | 50.5 | 0 | 0 | 0 | 110.9 | T209 E210 Q216 K217 | T209-D213 PolarHBondContact O-N 3Å; E210-D213 PolarHBondContact O-N 3.11Å; D213-Q216 PolarHBondContact O-N 3.17Å; D213-K217 VanDerWaalsContact O-CB 3.28Å; D213-K217 WeakPolarHBondContact O-CB 3.5Å; D213-K217 VanDerWaalsContact O-CG 3.24Å; D213-K217 WeakPolarHBondContact O-CG 3.31Å; D213-K217 PolarHBondContact O-N 3.37Å; D213-K217 WeakPolarHBondContact OD2-CE 3.46Å; D213-K217 IonicContact OD2-NZ 3.25Å; D213-K217 PolarHBondContact OD2-NZ 2.83Å |
| 214 | R | 51 | Low | 42.6 | Very low | 152 Ų | 152 | 104.7 Ų | 104.7 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.9 | -42.2 | 173.3 | -74.1 | 179.3 | -168.5 | -156.5 | 5.7 | 112 | E210 R218 | E210-R214 WeakPolarHBondContact O-CB 3.29Å; E210-R214 VanDerWaalsContact O-CG 3.27Å; E210-R214 WeakPolarHBondContact O-CG 3.39Å; E210-R214 PolarHBondContact O-N 2.76Å; E210-R214 IonicContact OE2-CZ 3.55Å; E210-R214 IonicContact OE2-NE 3.58Å; E210-R214 IonicContact OE2-NH2 2.78Å; E210-R214 PolarHBondContact OE2-NH2 3.48Å; R214-R218 WeakPolarHBondContact O-CB 3.5Å; R214-R218 WeakPolarHBondContact O-CG 3.16Å; R214-R218 PolarHBondContact O-N 3.15Å |
| 215 | F | 48 | Very low | 43.3 | Very low | 99 Ų | 99 | 99.1 Ų | 99.1 | 43% | 0.434 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 176.8 | -171.7 | -88.8 | 0 | 0 | 0 | 111.1 | F7 L211 S212 R218 Y219 | F7-F215 HydrophobicContact CE1-CD1 4.21Å; F7-F215 AromaticContact CE1-CE1 3.89Å; F7-F215 HydrophobicContact CE1-CE1 3.89Å; F7-F215 AromaticContact CZ-CD1 3.74Å; F7-F215 HydrophobicContact CZ-CD1 3.74Å; F7-F215 AromaticContact CZ-CE1 3.88Å; F7-F215 HydrophobicContact CZ-CE1 3.88Å; L211-F215 PolarHBondContact O-N 2.9Å; L211-F215 VanDerWaalsContact O-N 3.09Å; S212-F215 PolarHBondContact O-N 2.84Å; F215-R218 PolarHBondContact O-N 2.83Å; F215-Y219 WeakPolarHBondContact O-CB 3.48Å; F215-Y219 PolarHBondContact O-N 3.42Å |
| 216 | Q | 46.2 | Very low | 43.9 | Very low | 55 Ų | 55 | 100.2 Ų | 100.2 | 26% | 0.257 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.2 | -49.5 | 175.4 | -121.8 | 176.8 | -56.5 | 0 | 0 | 110.7 | S212 D213 R218 Y219 Y220 | S212-Q216 WeakPolarHBondContact O-CB 3.32Å; S212-Q216 PolarHBondContact O-N 2.78Å; D213-Q216 PolarHBondContact O-N 3.17Å; Q216-R218 VanDerWaalsContact C-N 3.3Å; Q216-R218 PolarHBondContact O-N 3.44Å; Q216-Y219 PolarHBondContact O-N 3.23Å; Q216-Y219 VanDerWaalsContact O-N 3.15Å; Q216-Y220 VanDerWaalsContact C-CD2 3.44Å; Q216-Y220 HydrophobicContact CB-CD2 4.08Å; Q216-Y220 HydrophobicContact CB-CE2 3.84Å; Q216-Y220 HydrophobicContact CG-CD2 4.1Å; Q216-Y220 HydrophobicContact CG-CE2 3.43Å; Q216-Y220 VanDerWaalsContact CG-CE2 3.43Å; Q216-Y220 PolarHBondContact NE2-OH 3.17Å; Q216-Y220 WeakPolarHBondContact O-CB 3.4Å; Q216-Y220 WeakPolarHBondContact O-CD2 3.46Å; Q216-Y220 PolarHBondContact O-N 3Å |
| 217 | K | 51 | Low | 44.2 | Very low | 129 Ų | 129 | 97.2 Ų | 97.2 | 56% | 0.561 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -56.9 | -40.8 | 175.8 | -76.7 | 172.6 | -177.2 | 167.7 | 0 | 112.3 | D213 R221 | D213-K217 VanDerWaalsContact O-CB 3.28Å; D213-K217 WeakPolarHBondContact O-CB 3.5Å; D213-K217 VanDerWaalsContact O-CG 3.24Å; D213-K217 WeakPolarHBondContact O-CG 3.31Å; D213-K217 PolarHBondContact O-N 3.37Å; D213-K217 WeakPolarHBondContact OD2-CE 3.46Å; D213-K217 IonicContact OD2-NZ 3.25Å; D213-K217 PolarHBondContact OD2-NZ 2.83Å; K217-R221 WeakPolarHBondContact O-CB 3.3Å; K217-R221 PolarHBondContact O-N 3.42Å |
| 218 | R | 54.6 | Low | 44.4 | Very low | 187 Ų | 187 | 98 Ų | 98 | 71% | 0.706 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -67.2 | -42.9 | 175.3 | -82.6 | -179 | 169.3 | 165.7 | -2.7 | 112.4 | R214 F215 Q216 R221 R222 | R214-R218 WeakPolarHBondContact O-CB 3.5Å; R214-R218 WeakPolarHBondContact O-CG 3.16Å; R214-R218 PolarHBondContact O-N 3.15Å; F215-R218 PolarHBondContact O-N 2.83Å; Q216-R218 VanDerWaalsContact C-N 3.3Å; Q216-R218 PolarHBondContact O-N 3.44Å; R218-R221 PolarHBondContact O-N 2.93Å; R218-R222 PolarHBondContact O-N 3.12Å |
| 219 | Y | 45.5 | Very low | 44.4 | Very low | 38 Ų | 38 | 98.3 Ų | 98.3 | 15% | 0.149 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 176.5 | -175.4 | -97.5 | 0 | 0 | 0 | 110.6 | D62 V97 H131 F215 Q216 R222 Q223 | D62-Y219 PolarHBondContact OD2-OH 3.08Å; D62-Y219 VanDerWaalsContact OD2-OH 3.07Å; V97-Y219 HydrophobicContact CG1-CD1 4.48Å; V97-Y219 HydrophobicContact CG1-CE1 3.73Å; V97-Y219 HydrophobicContact CG1-CE2 4.38Å; H131-Y219 HydrophobicContact CB-CE1 4.49Å; F215-Y219 WeakPolarHBondContact O-CB 3.48Å; F215-Y219 PolarHBondContact O-N 3.42Å; Q216-Y219 PolarHBondContact O-N 3.23Å; Q216-Y219 VanDerWaalsContact O-N 3.15Å; Y219-R222 PolarHBondContact O-N 2.83Å; Y219-Q223 HydrophobicContact CD1-CG 4.35Å; Y219-Q223 HydrophobicContact CE1-CG 4.02Å; Y219-Q223 WeakPolarHBondContact O-CG 3.24Å; Y219-Q223 PolarHBondContact O-N 3.21Å; Y219-Q223 PolarHBondContact OH-NE2 2.64Å |
| 220 | Y | 49.2 | Very low | 44.6 | Very low | 74 Ų | 74 | 96.5 Ų | 96.5 | 29% | 0.29 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.4 | -47.8 | 174.4 | -73.7 | -59.6 | 0 | 0 | 0 | 112.5 | H131 Q216 R222 Q223 S224 | H131-Y220 AromaticContact CD2-CE1 3.71Å; H131-Y220 AromaticContact CE1-CE1 3.45Å; H131-Y220 VanDerWaalsContact CE1-CE1 3.45Å; H131-Y220 WeakPolarHBondContact CE1-CE1 3.49Å; H131-Y220 AromaticContact CG-CE1 3.96Å; H131-Y220 AromaticContact ND1-CE1 3.8Å; H131-Y220 PolarHBondContact ND1-OH 2.92Å; H131-Y220 AromaticContact NE2-CE1 3.35Å; H131-Y220 WeakPolarHBondContact NE2-CE1 3.4Å; Q216-Y220 VanDerWaalsContact C-CD2 3.44Å; Q216-Y220 HydrophobicContact CB-CD2 4.08Å; Q216-Y220 HydrophobicContact CB-CE2 3.84Å; Q216-Y220 HydrophobicContact CG-CD2 4.1Å; Q216-Y220 HydrophobicContact CG-CE2 3.43Å; Q216-Y220 VanDerWaalsContact CG-CE2 3.43Å; Q216-Y220 PolarHBondContact NE2-OH 3.17Å; Q216-Y220 WeakPolarHBondContact O-CB 3.4Å; Q216-Y220 WeakPolarHBondContact O-CD2 3.46Å; Q216-Y220 PolarHBondContact O-N 3Å; Y220-R222 VanDerWaalsContact C-N 3.32Å; Y220-R222 PolarHBondContact O-N 3.16Å; Y220-Q223 PolarHBondContact O-N 3.43Å; Y220-S224 PolarHBondContact O-N 2.63Å; Y220-S224 PolarHBondContact O-OG 3.3Å |
| 221 | R | 53.7 | Low | 44.8 | Very low | 196 Ų | 196 | 93.9 Ų | 93.9 | 74% | 0.74 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.5 | -39.8 | -179.6 | -170.7 | -173.8 | -70.8 | -170.2 | -4.1 | 111.9 | K217 R218 S224 S225 | K217-R221 WeakPolarHBondContact O-CB 3.3Å; K217-R221 PolarHBondContact O-N 3.42Å; R218-R221 PolarHBondContact O-N 2.93Å; R221-S224 WeakPolarHBondContact CA-OG 3.42Å; R221-S224 PolarHBondContact O-OG 3.32Å; R221-S225 PolarHBondContact O-N 3.49Å; R221-S225 PolarHBondContact O-OG 2.91Å |
| 222 | R | 48.6 | Very low | 45.2 | Very low | 187 Ų | 187 | 92.7 Ų | 92.7 | 71% | 0.706 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.7 | -42.3 | 174.8 | -79.7 | -173.5 | 176.3 | -164.5 | -0.9 | 111.9 | R218 Y219 Y220 S225 F226 | R218-R222 PolarHBondContact O-N 3.12Å; Y219-R222 PolarHBondContact O-N 2.83Å; Y220-R222 VanDerWaalsContact C-N 3.32Å; Y220-R222 PolarHBondContact O-N 3.16Å; R222-S225 PolarHBondContact O-N 3.37Å; R222-S225 PolarHBondContact O-OG 2.85Å; R222-F226 WeakPolarHBondContact O-CD2 3.03Å; R222-F226 WeakPolarHBondContact O-CE2 3.27Å |
| 223 | Q | 44.6 | Very low | 44.7 | Very low | 41 Ų | 41 | 97.8 Ų | 97.8 | 19% | 0.192 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -67.7 | -37.8 | 178.7 | -68.6 | -78 | 33.9 | 0 | 0 | 112 | Y219 Y220 F226 | Y219-Q223 HydrophobicContact CD1-CG 4.35Å; Y219-Q223 HydrophobicContact CE1-CG 4.02Å; Y219-Q223 WeakPolarHBondContact O-CG 3.24Å; Y219-Q223 PolarHBondContact O-N 3.21Å; Y219-Q223 PolarHBondContact OH-NE2 2.64Å; Y220-Q223 PolarHBondContact O-N 3.43Å; Q223-F226 PolarHBondContact O-N 3.31Å |
| 224 | S | 42 | Very low | 44.3 | Very low | 76 Ų | 76 | 104 Ų | 104 | 53% | 0.531 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.1 | -30.3 | 177.6 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | Y220 R221 F226 A227 | Y220-S224 PolarHBondContact O-N 2.63Å; Y220-S224 PolarHBondContact O-OG 3.3Å; R221-S224 WeakPolarHBondContact CA-OG 3.42Å; R221-S224 PolarHBondContact O-OG 3.32Å; S224-F226 VanDerWaalsContact C-N 3.26Å; S224-F226 PolarHBondContact O-N 3.11Å; S224-A227 WeakPolarHBondContact O-CB 3.2Å; S224-A227 PolarHBondContact O-N 3.39Å |
| 225 | S | 44.2 | Very low | 43.8 | Very low | 58 Ų | 58 | 101.8 Ų | 101.8 | 41% | 0.406 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.3 | -25.4 | 177.3 | 51.1 | 0 | 0 | 0 | 0 | 113.4 | R221 R222 A227 S231 | R221-S225 PolarHBondContact O-N 3.49Å; R221-S225 PolarHBondContact O-OG 2.91Å; R222-S225 PolarHBondContact O-N 3.37Å; R222-S225 PolarHBondContact O-OG 2.85Å; S225-A227 VanDerWaalsContact C-N 3.31Å; S225-S231 PolarHBondContact O-OG 3.5Å |
| 226 | F | 41.9 | Very low | 43.3 | Very low | 119 Ų | 119 | 100.3 Ų | 100.3 | 52% | 0.522 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -8.1 | 176.5 | -66.1 | -66.7 | 0 | 0 | 0 | 113.6 | R222 Q223 S224 | R222-F226 WeakPolarHBondContact O-CD2 3.03Å; R222-F226 WeakPolarHBondContact O-CE2 3.27Å; Q223-F226 PolarHBondContact O-N 3.31Å; S224-F226 VanDerWaalsContact C-N 3.26Å; S224-F226 PolarHBondContact O-N 3.11Å |
| 227 | A | 38.9 | Very low | 42.8 | Very low | 51 Ų | 51 | 103.4 Ų | 103.4 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -6.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A164 S224 S225 P229 | A164-A227 HydrophobicContact CB-CB 4.36Å; S224-A227 WeakPolarHBondContact O-CB 3.2Å; S224-A227 PolarHBondContact O-N 3.39Å; S225-A227 VanDerWaalsContact C-N 3.31Å; A227-P229 WeakPolarHBondContact O-CD 3.17Å |
| 228 | D | 37.6 | Very low | 42.2 | Very low | 84 Ų | 84 | 108.1 Ų | 108.1 | 45% | 0.449 | 53% | 0.528 | S | S | . | . | trans | -99.4 | 111.4 | 176.8 | -167.3 | -20.6 | 0 | 0 | 0 | 110.4 | S230 S231 | D228-S230 PolarHBondContact O-N 3.02Å; D228-S230 VanDerWaalsContact O-N 3.07Å; D228-S230 WeakPolarHBondContact OD1-CB 3.33Å; D228-S230 PolarHBondContact OD1-N 3.46Å; D228-S230 PolarHBondContact OD1-OG 3.28Å; D228-S230 PolarHBondContact OD2-OG 2.92Å; D228-S231 PolarHBondContact O-N 3.12Å; D228-S231 VanDerWaalsContact O-N 3.1Å; D228-S231 PolarHBondContact O-OG 2.67Å | ||
| 229 | P | 39.2 | Very low | 41.4 | Very low | 95 Ų | 95 | 106.5 Ų | 106.5 | 62% | 0.617 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -57.3 | -21.7 | 178.8 | -22 | 32.1 | 0 | 0 | 0 | 113.9 | A227 S231 | A227-P229 WeakPolarHBondContact O-CD 3.17Å; P229-S231 PolarHBondContact O-N 2.81Å |
| 230 | S | 42.2 | Very low | 41.1 | Very low | 61 Ų | 61 | 112.5 Ų | 112.5 | 43% | 0.427 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -72.2 | -13.5 | 179.1 | 69.3 | 0 | 0 | 0 | 0 | 114 | D228 | D228-S230 PolarHBondContact O-N 3.02Å; D228-S230 VanDerWaalsContact O-N 3.07Å; D228-S230 WeakPolarHBondContact OD1-CB 3.33Å; D228-S230 PolarHBondContact OD1-N 3.46Å; D228-S230 PolarHBondContact OD1-OG 3.28Å; D228-S230 PolarHBondContact OD2-OG 2.92Å |
| 231 | S | 40.5 | Very low | 40.4 | Very low | 39 Ų | 39 | 116.3 Ų | 116.3 | 27% | 0.273 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -81.2 | -18 | 179.2 | 66.5 | 0 | 0 | 0 | 0 | 113.9 | S225 D228 P229 | S225-S231 PolarHBondContact O-OG 3.5Å; D228-S231 PolarHBondContact O-N 3.12Å; D228-S231 VanDerWaalsContact O-N 3.1Å; D228-S231 PolarHBondContact O-OG 2.67Å; P229-S231 PolarHBondContact O-N 2.81Å |
| 232 | V | 40.6 | Very low | 39.6 | Very low | 101 Ų | 101 | 112.8 Ų | 112.8 | 61% | 0.612 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -76.8 | -21.6 | -176.9 | -177.9 | 0 | 0 | 0 | 0 | 112.4 | ||
| 233 | Q | 35.8 | Very low | 39 | Very low | 142 Ų | 142 | 108.4 Ų | 108.4 | 66% | 0.664 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -81.4 | -15.5 | 178.2 | -77.5 | 173.3 | -39.6 | 0 | 0 | 114 | S236 | Q233-S236 PolarHBondContact O-OG 3.39Š|
| 234 | R | 35.3 | Very low | 38.5 | Very low | 200 Ų | 200 | 113.7 Ų | 113.7 | 76% | 0.755 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -88.2 | -8.9 | -177.2 | -67 | -170.1 | -156.6 | -160.5 | 4.4 | 114.7 | ||
| 235 | T | 39.7 | Very low | 38.2 | Very low | 106 Ų | 106 | 114.5 Ų | 114.5 | 65% | 0.65 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -16.9 | 179.2 | 52.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 236 | S | 38.5 | Very low | 37.8 | Very low | 68 Ų | 68 | 118.3 Ų | 118.3 | 48% | 0.476 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.5 | -30.2 | 170 | 50.8 | 0 | 0 | 0 | 0 | 113 | Q233 R238 | Q233-S236 PolarHBondContact O-OG 3.39Å; S236-R238 VanDerWaalsContact C-N 3.35Å; S236-R238 PolarHBondContact O-N 2.69Å |
| 237 | D | 35.9 | Very low | 37.6 | Very low | 120 Ų | 120 | 118.6 Ų | 118.6 | 64% | 0.642 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -1.2 | -171.1 | -63.8 | -4.5 | 0 | 0 | 0 | 113.9 | ||
| 238 | R | 37.5 | Very low | 37.7 | Very low | 228 Ų | 228 | 124.2 Ų | 124.2 | 86% | 0.86 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -1 | 175.7 | -102.8 | -176.8 | -175.5 | -157.7 | 0 | 115 | S236 | S236-R238 VanDerWaalsContact C-N 3.35Å; S236-R238 PolarHBondContact O-N 2.69Å |
| 239 | L | 38.7 | Very low | 37.6 | Very low | 152 Ų | 152 | 132 Ų | 132 | 80% | 0.796 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -107 | 7.5 | 175.9 | -73.6 | 169.1 | 0 | 0 | 0 | 113.4 | ||
| 240 | H | 38.3 | Very low | 37.5 | Very low | 165 Ų | 165 | 133 Ų | 133 | 76% | 0.764 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -121.7 | 15.9 | -176.1 | -97.9 | 68.6 | 0 | 0 | 0 | 115.4 | ||
| 241 | N | 34.6 | Very low | 37.3 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | trans | -141.1 | 73.2 | 175.1 | -94.9 | -20.1 | 0 | 0 | 0 | 111.6 | ||||
| 242 | S | 36.7 | Very low | 37.3 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | trans | -147.2 | 81.8 | 153 | 59.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 243 | S | 35.7 | Very low | 37.2 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | trans | -73.7 | 150.4 | 172.3 | 52.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 244 | I | 35.2 | Very low | 37.2 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | 118.6 | 127.4 | 146.2 | -60.1 | 160.9 | 0 | 0 | 0 | 115.6 | ||||
| 245 | S | 35.9 | Very low | 37.1 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | trans | 63.5 | 114.2 | 168.2 | 64.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 246 | D | 34.4 | Very low | 36.8 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | -170.9 | 141 | 53.6 | -101.1 | -31.1 | 0 | 0 | 0 | 112.6 | |||||
| 247 | N | 39.3 | Very low | 36.5 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | trans | 60.9 | 116.5 | 140 | -70.7 | -24.4 | 0 | 0 | 0 | 123.9 | ||||
| 248 | H | 41.1 | Very low | 36.4 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | trans | 72.1 | 92.8 | 135.1 | -69.3 | -59.1 | 0 | 0 | 0 | 120.4 | ||||
| 249 | R | 34.7 | Very low | 36.1 | Very low | 248 Ų | 248 | 135.2 Ų | 135.2 | 94% | 0.936 | 78% | 0.779 | S | S | * | * | 167.8 | 134.6 | 102.2 | -98.1 | 178.4 | 176.3 | -175.3 | -1 | 110.8 | |||||
| 250 | S | 36.9 | Very low | 35.7 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -84.1 | 167.9 | -171.1 | 47.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 251 | P | 39 | Very low | 35.4 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -118.4 | 176 | -154.2 | 41.4 | -28.3 | 0 | 0 | 0 | 115.1 | ||||
| 252 | S | 40.4 | Very low | 35.2 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -155.5 | 105.4 | 161.8 | 55.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 253 | S | 38.1 | Very low | 35 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | 95.3 | 143.5 | 87.4 | 74.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 254 | L | 35.5 | Very low | 34.8 | Very low | 162 Ų | 162 | 134.5 Ų | 134.5 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | 87.6 | 131.2 | 173.4 | -53.7 | 167.7 | 0 | 0 | 0 | 114.9 | ||||
| 255 | S | 33.1 | Very low | 34.6 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | cis | 174.2 | 153.1 | -13.9 | 39.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 256 | A | 33.3 | Very low | 34.3 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | trans | 78.7 | 109.3 | 147.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 257 | L | 32.5 | Very low | 34.3 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | trans | -20.4 | 126.7 | 144.7 | -75.1 | 151.6 | 0 | 0 | 0 | 116.3 | ||||
| 258 | A | 33.2 | Very low | 34.1 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -137.4 | 104.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 259 | L | 32 | Very low | 33.9 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -70.1 | 152.7 | 164.6 | -85.3 | 165.8 | 0 | 0 | 0 | 109.9 | ||||
| 260 | L | 30.9 | Very low | 34.1 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 80% | 0.801 | 76% | 0.763 | S | S | * | * | trans | 90.7 | 126.6 | 156.1 | -66.2 | 159.9 | 0 | 0 | 0 | 119.1 | ||||
| 261 | T | 31.4 | Very low | 34.1 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | trans | 66.1 | 105.1 | 151.4 | 61.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 262 | S | 30.1 | Very low | 34 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | trans | -171.7 | 144.4 | 133.4 | -82.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 263 | P | 32.4 | Very low | 33.5 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -82.2 | 140.5 | -167.5 | 32.5 | -33.1 | 0 | 0 | 0 | 112.8 | K265 | P263-K265 VanDerWaalsContact C-N 3.25Å; P263-K265 PolarHBondContact O-N 3.08Å | ||
| 264 | I | 30.5 | Very low | 33.3 | Very low | 165 Ų | 165 | 142.1 Ų | 142.1 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -74.4 | 78.8 | 176.5 | -57.6 | 173.2 | 0 | 0 | 0 | 109.5 | ||||
| 265 | K | 31.9 | Very low | 33.3 | Very low | 194 Ų | 194 | 138.2 Ų | 138.2 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | trans | -101.4 | 88.5 | 152.5 | -82.4 | -174.3 | 178.7 | 179.3 | 0 | 107.4 | P263 | P263-K265 VanDerWaalsContact C-N 3.25Å; P263-K265 PolarHBondContact O-N 3.08Å | ||
| 266 | S | 28.8 | Very low | 33.7 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | trans | 176.4 | 88.4 | 159 | 42.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 267 | R | 35.1 | Very low | 33.7 | Very low | 240 Ų | 240 | 140.4 Ų | 140.4 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | trans | -166.6 | 51.4 | 154.5 | -107.4 | 170.4 | -160.9 | -155.3 | 6.6 | 110.1 | ||||
| 268 | V | 35.5 | Very low | 33.6 | Very low | 93 Ų | 93 | 136.5 Ų | 136.5 | 56% | 0.564 | 75% | 0.753 | S | S | * | * | trans | -117 | 80.5 | 167.2 | 178.7 | 0 | 0 | 0 | 0 | 106.4 | V270 | V268-V270 HydrophobicContact CG1-CG2 3.58Å; V268-V270 PolarHBondContact O-N 3.11Å | ||
| 269 | K | 37 | Very low | 33.7 | Very low | 196 Ų | 196 | 139.8 Ų | 139.8 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | trans | -83.6 | 98.6 | 161.7 | -84.5 | -173.5 | 175.6 | -177 | 0 | 106.5 | ||||
| 270 | V | 37.9 | Very low | 33.8 | Very low | 48 Ų | 48 | 142.1 Ų | 142.1 | 29% | 0.291 | 76% | 0.757 | S | S | . | * | trans | -95.1 | 115.9 | 161.8 | -168.3 | 0 | 0 | 0 | 0 | 105.5 | Y71 V268 L272 | Y71-V270 HydrophobicContact CE1-CG2 4.42Å; V268-V270 HydrophobicContact CG1-CG2 3.58Å; V268-V270 PolarHBondContact O-N 3.11Å; V270-L272 HydrophobicContact CB-CB 4.41Å; V270-L272 HydrophobicContact CG1-CB 3.93Å; V270-L272 HydrophobicContact CG1-CD1 4.28Å; V270-L272 PolarHBondContact O-N 2.88Å | ||
| 271 | D | 38.4 | Very low | 33.9 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | trans | -71.4 | 81.1 | 165.3 | -71.6 | -33.1 | 0 | 0 | 0 | 107.3 | ||||
| 272 | L | 36.2 | Very low | 34.1 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 56% | 0.56 | 75% | 0.752 | S | S | * | * | trans | -106 | 68 | 177.7 | -161.4 | 80.2 | 0 | 0 | 0 | 108.7 | V270 I276 | V270-L272 HydrophobicContact CB-CB 4.41Å; V270-L272 HydrophobicContact CG1-CB 3.93Å; V270-L272 HydrophobicContact CG1-CD1 4.28Å; V270-L272 PolarHBondContact O-N 2.88Å; L272-I276 HydrophobicContact CD2-CD1 3.92Å; L272-I276 HydrophobicContact CG-CD1 4.34Å | ||
| 273 | F | 30.9 | Very low | 34.5 | Very low | 199 Ų | 199 | 141.2 Ų | 141.2 | 87% | 0.873 | 75% | 0.752 | S | S | * | * | trans | -144.4 | 74.6 | 177 | -136.1 | -90.2 | 0 | 0 | 0 | 111.1 | ||||
| 274 | Q | 33.8 | Very low | 34.5 | Very low | 194 Ų | 194 | 143.2 Ų | 143.2 | 91% | 0.907 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 174 | 14.5 | 151.4 | -104.2 | 168.3 | -14.2 | 0 | 0 | 116.2 | ||
| 275 | S | 35.1 | Very low | 34.9 | Very low | 80 Ų | 80 | 140.3 Ų | 140.3 | 56% | 0.559 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -118.6 | 3.6 | -177.9 | -155.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 276 | I | 40.5 | Very low | 35.2 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 70% | 0.703 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -109.6 | -16 | -175.3 | -63.9 | 177.5 | 0 | 0 | 0 | 113.7 | L272 | L272-I276 HydrophobicContact CD2-CD1 3.92Å; L272-I276 HydrophobicContact CG-CD1 4.34Å |
| 277 | C | 33.1 | Very low | 35.8 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | trans | -120.8 | 102.6 | 172.9 | -65.8 | 0 | 0 | 0 | 0 | 110.3 | M279 | C277-M279 VanDerWaalsContact C-N 3.27Å; C277-M279 HydrophobicContact CB-CG 4.36Å; C277-M279 PolarHBondContact O-N 3.45Å | ||
| 278 | G | 31.3 | Very low | 35.9 | Very low | 88 Ų | 88 | 133.8 Ų | 133.8 | 91% | 0.907 | 75% | 0.752 | S | S | * | * | trans | -64.5 | 91.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 279 | M | 35.7 | Very low | 36.2 | Very low | 171 Ų | 171 | 135 Ų | 135 | 84% | 0.842 | 76% | 0.762 | S | S | * | * | trans | -100.2 | 109.2 | 165.5 | -70.1 | -164.9 | 83.1 | 0 | 0 | 108.3 | C277 S281 | C277-M279 VanDerWaalsContact C-N 3.27Å; C277-M279 HydrophobicContact CB-CG 4.36Å; C277-M279 PolarHBondContact O-N 3.45Å; M279-S281 PolarHBondContact O-N 3.41Å | ||
| 280 | K | 32.9 | Very low | 36.1 | Very low | 199 Ų | 199 | 130.3 Ų | 130.3 | 87% | 0.865 | 75% | 0.754 | S | S | * | * | trans | -58.3 | 119.3 | 160.9 | -65.7 | 173.3 | 174.1 | 179.7 | 0 | 107.4 | ||||
| 281 | S | 34.3 | Very low | 36.4 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -89.4 | 105.5 | 157.9 | 71.2 | 0 | 0 | 0 | 0 | 107.8 | M279 | M279-S281 PolarHBondContact O-N 3.41Š| ||
| 282 | V | 34.7 | Very low | 37 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 71% | 0.709 | 79% | 0.792 | S | S | * | * | trans | -81.6 | 114.8 | 159.2 | 176.8 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 283 | N | 38.2 | Very low | 37 | Very low | 151 Ų | 151 | 141.9 Ų | 141.9 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | trans | -111.7 | 107.7 | 163.2 | -88.9 | -2 | 0 | 0 | 0 | 107.4 | ||||
| 284 | D | 32.3 | Very low | 37.4 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -62 | 133.3 | 158.3 | -88.1 | -39.9 | 0 | 0 | 0 | 110 | ||||
| 285 | S | 38.7 | Very low | 37.5 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -174 | 104.4 | 138.7 | 56.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 286 | S | 38.5 | Very low | 37.7 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | 47 | 111.5 | 132.7 | 62.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 287 | S | 41.9 | Very low | 37.5 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | -172.4 | 112 | 123.1 | 55.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 288 | L | 37.5 | Very low | 37.8 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -64.1 | 168.8 | 161.5 | -85.6 | 172.8 | 0 | 0 | 0 | 110.7 | ||||
| 289 | P | 41.3 | Very low | 38.3 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | cis | -145.7 | 170.2 | 39.2 | 37.3 | -14 | 0 | 0 | 0 | 119.6 | ||||
| 290 | S | 35.1 | Very low | 38.5 | Very low | 98 Ų | 98 | 143.5 Ų | 143.5 | 69% | 0.685 | 82% | 0.815 | S | S | * | * | trans | -45.7 | 155.3 | 167.6 | 53.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 291 | L | 43.6 | Very low | 38.9 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | -170.1 | 126.3 | 126.7 | -94.9 | 159.5 | 0 | 0 | 0 | 108.5 | |||||
| 292 | F | 51.2 | Low | 39.4 | Very low | 271 Ų | 271 | 141.7 Ų | 141.7 | 100% | 1.189 | 82% | 0.816 | S | S | * | * | trans | 45.4 | 0 | 162.4 | -71.4 | -84.5 | 0 | 0 | 0 | 121 |
Retrieved 292 of 292 residues in 210.1 ms
(Link to these results)