| 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 | 93.2 | Very high | 95.8 | Very high | 20 Ų | 20 | 43.8 Ų | 43.8 | 10% | 0.099 | 24% | 0.235 | C | C | . | . | 0 | 128.6 | 0 | -179.1 | -175.6 | -75.8 | 0 | 0 | 110.1 | C9 V11 Y104 F138 E139 V140 R141 F196 | M1-C9 HydrophobicContact CE-CB 4.25Å; M1-C9 HydrophobicContact SD-CB 3.93Å; M1-V11 HydrophobicContact CE-CG2 3.8Å; M1-Y104 HydrophobicContact SD-CE2 3.93Å; M1-F138 HydrophobicContact CB-CD2 3.88Å; M1-F138 HydrophobicContact CB-CE2 4.1Å; M1-F138 HydrophobicContact CE-CD2 4.16Å; M1-F138 HydrophobicContact CE-CE2 3.47Å; M1-F138 VanDerWaalsContact CE-CE2 3.47Å; M1-F138 HydrophobicContact CE-CZ 4.01Å; M1-F138 HydrophobicContact SD-CD2 4.43Å; M1-F138 HydrophobicContact SD-CE2 3.7Å; M1-E139 PolarHBondContact N-O 3.23Å; M1-V140 HydrophobicContact CB-CG2 4.31Å; M1-V140 CarbonylContact O-C 3.57Å; M1-V140 WeakPolarHBondContact O-CA 3.48Å; M1-V140 HydrophobicContact SD-CG2 4.49Å; M1-R141 PolarHBondContact O-N 3.25Å; M1-F196 VanDerWaalsContact CA-CE1 3.49Å; M1-F196 HydrophobicContact CB-CD1 3.96Å; M1-F196 HydrophobicContact CB-CD2 4.01Å; M1-F196 HydrophobicContact CB-CE1 3.67Å; M1-F196 HydrophobicContact CB-CE2 3.7Å; M1-F196 HydrophobicContact CB-CG 4.16Å; M1-F196 HydrophobicContact CB-CZ 3.57Å; M1-F196 HydrophobicContact CE-CB 3.36Å; M1-F196 HydrophobicContact CE-CD1 4.04Å; M1-F196 HydrophobicContact CE-CD2 3.37Å; M1-F196 HydrophobicContact CE-CE2 4.24Å; M1-F196 HydrophobicContact CE-CG 3.27Å; M1-F196 HydrophobicContact CG-CD1 4.5Å; M1-F196 HydrophobicContact CG-CD2 3.68Å; M1-F196 HydrophobicContact CG-CE1 4.4Å; M1-F196 HydrophobicContact CG-CE2 3.54Å; M1-F196 HydrophobicContact CG-CG 4.19Å; M1-F196 HydrophobicContact CG-CZ 3.97Å; M1-F196 HydrophobicContact SD-CD2 4.31Å | |||
| 2 | F | 95.3 | Very high | 95.6 | Very high | 42 Ų | 42 | 42.7 Ų | 42.7 | 18% | 0.184 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.7 | 168.1 | -63.8 | -105.4 | 0 | 0 | 0 | 107.3 | R141 P146 D149 R150 E153 | F2-R141 WeakPolarHBondContact CA-O 3.3Å; F2-R141 HydrophobicContact CD1-CB 3.89Å; F2-R141 HydrophobicContact CD1-CG 4.07Å; F2-R141 HydrophobicContact CE1-CB 4.11Å; F2-R141 HydrophobicContact CE1-CG 4.23Å; F2-R141 HydrophobicContact CG-CB 4.5Å; F2-P146 HydrophobicContact CB-CB 3.72Å; F2-D149 HydrophobicContact CD1-CB 3.84Å; F2-D149 HydrophobicContact CE1-CB 3.96Å; F2-R150 HydrophobicContact CD1-CB 4.42Å; F2-R150 HydrophobicContact CD2-CB 3.64Å; F2-R150 HydrophobicContact CD2-CG 3.98Å; F2-R150 HydrophobicContact CE2-CB 3.81Å; F2-R150 HydrophobicContact CE2-CG 3.93Å; F2-R150 HydrophobicContact CG-CB 3.99Å; F2-R150 HydrophobicContact CZ-CB 4.25Å; F2-E153 HydrophobicContact CE1-CG 4.2Å; F2-E153 HydrophobicContact CZ-CB 3.93Å; F2-E153 HydrophobicContact CZ-CG 3.99Å; F2-E153 VanDerWaalsContact CZ-OE2 3.28Å; F2-E153 WeakPolarHBondContact CZ-OE2 3.35Å |
| 3 | C | 96.6 | Very high | 95.5 | Very high | 10 Ų | 10 | 39.5 Ų | 39.5 | 7% | 0.068 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 163.7 | -178.5 | 59.6 | 0 | 0 | 0 | 0 | 111.5 | C9 R141 V142 C143 P146 | C3-C9 WeakPolarHBondContact CB-SG 3.34Å; C3-R141 PolarHBondContact N-O 3.46Å; C3-V142 CarbonylContact O-C 3.49Å; C3-V142 VanDerWaalsContact O-CA 3.31Å; C3-V142 WeakPolarHBondContact O-CA 3.28Å; C3-C143 PolarHBondContact O-N 3.46Å; C3-P146 VanDerWaalsContact C-CG 3.49Å |
| 4 | Q | 96.5 | Very high | 95.4 | Very high | 87 Ų | 87 | 43.3 Ų | 43.3 | 41% | 0.407 | 22% | 0.221 | S | C | . | . | trans | -89.7 | 155.3 | 172.1 | -75 | -178.8 | -34.4 | 0 | 0 | 111 | A6 K7 C143 A144 P146 | Q4-A6 PolarHBondContact O-N 3.24Å; Q4-K7 HydrophobicContact CB-CB 4.1Å; Q4-K7 HydrophobicContact CB-CG 3.55Å; Q4-K7 PolarHBondContact O-N 2.81Å; Q4-C143 WeakPolarHBondContact CA-O 3.31Å; Q4-A144 PolarHBondContact NE2-O 3.43Å; Q4-P146 HydrophobicContact CG-CG 3.69Å | ||
| 5 | L | 96.6 | Very high | 95.1 | Very high | 55 Ų | 55 | 42.7 Ų | 42.7 | 29% | 0.288 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 129.6 | 173.4 | 179.6 | 66.6 | 0 | 0 | 0 | 110.9 | K7 C106 V142 | L5-K7 PolarHBondContact O-N 3.41Å; L5-C106 VanDerWaalsContact CD1-N 3.26Å; L5-V142 HydrophobicContact CB-CG1 4.44Å |
| 6 | A | 95.5 | Very high | 94.7 | Very high | 49 Ų | 49 | 46 Ų | 46 | 41% | 0.405 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 24.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q4 Y104 M105 | Q4-A6 PolarHBondContact O-N 3.24Å; A6-Y104 PolarHBondContact N-O 3.47Å; A6-M105 HydrophobicContact CB-CE 3.89Å; A6-M105 HydrophobicContact CB-SD 3.88Å |
| 7 | K | 95.9 | Very high | 94.4 | Very high | 121 Ų | 121 | 45.9 Ų | 45.9 | 53% | 0.526 | 24% | 0.242 | S | C | . | . | trans | -97.3 | 149.9 | 171.5 | -65.6 | -53.4 | -172.2 | 178.4 | 0 | 111.1 | Q4 L5 C9 N103 | Q4-K7 HydrophobicContact CB-CB 4.1Å; Q4-K7 HydrophobicContact CB-CG 3.55Å; Q4-K7 PolarHBondContact O-N 2.81Å; L5-K7 PolarHBondContact O-N 3.41Å; K7-C9 PolarHBondContact O-N 2.94Å; K7-C9 PolarHBondContact O-SG 2.84Å; K7-C9 VanDerWaalsContact O-SG 3.35Å; K7-N103 PolarHBondContact O-ND2 2.94Å | ||
| 8 | T | 96.2 | Very high | 94.3 | Very high | 68 Ų | 68 | 49.6 Ų | 49.6 | 42% | 0.417 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 126 | 177.8 | -45.4 | 0 | 0 | 0 | 0 | 110.6 | E66 H101 N103 | T8-E66 WeakPolarHBondContact CB-OE2 3.29Å; T8-E66 WeakPolarHBondContact CG2-OE2 3.41Å; T8-E66 PolarHBondContact OG1-OE2 3.03Å; T8-H101 HydrophobicContact CG2-CB 3.82Å; T8-N103 WeakPolarHBondContact CA-ND2 3.46Å; T8-N103 PolarHBondContact N-ND2 2.87Å |
| 9 | C | 96.6 | Very high | 94.3 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 5% | 0.054 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 91.7 | 177.4 | -60.4 | 0 | 0 | 0 | 0 | 107.9 | M1 C3 K7 V11 Y102 Y104 | M1-C9 HydrophobicContact CE-CB 4.25Å; M1-C9 HydrophobicContact SD-CB 3.93Å; C3-C9 WeakPolarHBondContact CB-SG 3.34Å; K7-C9 PolarHBondContact O-N 2.94Å; K7-C9 PolarHBondContact O-SG 2.84Å; K7-C9 VanDerWaalsContact O-SG 3.35Å; C9-V11 PolarHBondContact O-N 3.04Å; C9-Y102 WeakPolarHBondContact CA-O 3.36Å; C9-Y102 VanDerWaalsContact CB-O 3.3Å; C9-Y102 WeakPolarHBondContact CB-O 3.38Å; C9-Y102 PolarHBondContact N-O 2.87Å; C9-Y102 PolarHBondContact O-N 2.99Å; C9-Y104 HydrophobicContact CB-CE2 4.19Å |
| 10 | P | 95.4 | Very high | 94.3 | Very high | 22 Ų | 22 | 48.3 Ų | 48.3 | 14% | 0.143 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 123.9 | 179.3 | 27.6 | -32.8 | 0 | 0 | 0 | 110.4 | T99 Y195 F196 | P10-T99 HydrophobicContact CB-CG2 3.82Å; P10-Y195 HydrophobicContact CB-CD1 3.66Å; P10-Y195 HydrophobicContact CB-CE1 3.92Å; P10-Y195 HydrophobicContact CG-CD1 3.95Å; P10-Y195 HydrophobicContact CG-CE1 4.28Å; P10-Y195 HydrophobicContact CG-CG 4.48Å; P10-F196 PolarHBondContact O-N 3.19Å |
| 11 | V | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 117.9 | 175.5 | 175.5 | 0 | 0 | 0 | 0 | 108.6 | M1 C9 T99 I100 Y102 F138 F196 L198 | M1-V11 HydrophobicContact CE-CG2 3.8Å; C9-V11 PolarHBondContact O-N 3.04Å; V11-T99 WeakPolarHBondContact O-CA 3.28Å; V11-I100 PolarHBondContact N-O 2.79Å; V11-I100 PolarHBondContact O-N 3.24Å; V11-Y102 HydrophobicContact CB-CD2 3.9Å; V11-Y102 HydrophobicContact CB-CE2 3.87Å; V11-Y102 HydrophobicContact CG1-CE2 4.35Å; V11-Y102 HydrophobicContact CG2-CD2 3.63Å; V11-Y102 HydrophobicContact CG2-CE2 4.02Å; V11-F138 HydrophobicContact CG2-CE1 4.4Å; V11-F138 HydrophobicContact CG2-CZ 3.94Å; V11-F196 WeakPolarHBondContact CA-O 3.36Å; V11-F196 HydrophobicContact CG2-CB 4.46Å; V11-L198 HydrophobicContact CG1-CD1 3.39Å; V11-L198 HydrophobicContact CG1-CG 3.98Å |
| 12 | Q | 94.3 | Very high | 94.4 | Very high | 30 Ų | 30 | 53.4 Ų | 53.4 | 14% | 0.14 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 134.7 | 178.6 | -64.8 | 174.5 | -32.4 | 0 | 0 | 110.4 | C97 T98 Y195 F196 T197 L198 | Q12-C97 HydrophobicContact CB-CB 4.48Å; Q12-T98 CarbonylContact C-O 3.56Å; Q12-T98 WeakPolarHBondContact CA-O 3.45Å; Q12-Y195 HydrophobicContact CG-CD1 3.97Å; Q12-Y195 HydrophobicContact CG-CG 4.39Å; Q12-F196 PolarHBondContact N-O 3.41Å; Q12-T197 PolarHBondContact OE1-OG1 2.62Å; Q12-L198 PolarHBondContact O-N 2.91Å; Q12-L198 VanDerWaalsContact O-O 3.04Å |
| 13 | L | 94 | Very high | 94.5 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 111.6 | 176.1 | -55.7 | 176.5 | 0 | 0 | 0 | 108.8 | V25 C97 T98 I100 I123 M200 | L13-V25 HydrophobicContact CD1-CB 4.36Å; L13-V25 HydrophobicContact CD1-CG1 3.95Å; L13-V25 HydrophobicContact CD1-CG2 3.63Å; L13-V25 HydrophobicContact CD2-CG1 4.4Å; L13-C97 VanDerWaalsContact O-CB 3.32Å; L13-C97 WeakPolarHBondContact O-CB 3.23Å; L13-T98 WeakPolarHBondContact CB-O 3.35Å; L13-T98 PolarHBondContact N-O 3.22Å; L13-T98 PolarHBondContact O-N 3.18Å; L13-I100 HydrophobicContact CD1-CD1 3.68Å; L13-I100 HydrophobicContact CD1-CG1 4.14Å; L13-I123 HydrophobicContact CD2-CG2 3.97Å; L13-M200 HydrophobicContact CD2-SD 4.13Å |
| 14 | W | 93.7 | Very high | 94.6 | Very high | 93 Ų | 93 | 53.9 Ų | 53.9 | 35% | 0.352 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 131.6 | 173 | -65.6 | 65.9 | 0 | 0 | 0 | 108.9 | D96 C97 T197 L198 Q199 M200 | W14-D96 HydrophobicContact CH2-CB 3.97Å; W14-D96 HydrophobicContact CZ3-CB 3.82Å; W14-C97 HydrophobicContact CD2-CB 3.96Å; W14-C97 HydrophobicContact CG-CB 4.02Å; W14-C97 HydrophobicContact CZ2-CB 4.28Å; W14-T197 HydrophobicContact CG-CG2 4.44Å; W14-T197 VanDerWaalsContact NE1-CG2 3.32Å; W14-L198 PolarHBondContact N-O 3.26Å; W14-Q199 HydrophobicContact CB-CG 4.3Å; W14-M200 WeakPolarHBondContact O-CA 3.39Å; W14-M200 WeakPolarHBondContact O-CB 3.29Å; W14-M200 PolarHBondContact O-N 2.85Å |
| 15 | V | 91 | Very high | 94.7 | Very high | 34 Ų | 34 | 49.8 Ų | 49.8 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 138.4 | 179.4 | -65.5 | 0 | 0 | 0 | 0 | 109.3 | S17 P19 Y88 L125 L202 | V15-S17 VanDerWaalsContact C-N 3.33Å; V15-S17 WeakPolarHBondContact CG2-O 3.25Å; V15-P19 HydrophobicContact CG1-CG 4.33Å; V15-Y88 HydrophobicContact CG1-CE2 4.44Å; V15-Y88 WeakPolarHBondContact CG2-OH 3.35Å; V15-L125 HydrophobicContact CG1-CD2 4.32Å; V15-L202 HydrophobicContact CB-CD1 3.98Å; V15-L202 HydrophobicContact CG1-CD1 4.34Å |
| 16 | D | 88.8 | Confident | 94.7 | Very high | 96 Ų | 96 | 49.3 Ų | 49.3 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -79.3 | -21.2 | -179.3 | -53.5 | -44.4 | 0 | 0 | 0 | 112.4 | L201 | D16-L201 WeakPolarHBondContact OD2-CD2 3.4Š|
| 17 | S | 90.4 | Very high | 94.9 | Very high | 45 Ų | 45 | 47 Ų | 47 | 32% | 0.315 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -144.1 | 156.5 | 175.9 | 54.1 | 0 | 0 | 0 | 0 | 109.9 | V15 P19 L202 | V15-S17 VanDerWaalsContact C-N 3.33Å; V15-S17 WeakPolarHBondContact CG2-O 3.25Å; S17-P19 VanDerWaalsContact O-CD 3.3Å; S17-P19 WeakPolarHBondContact O-CD 3.23Å; S17-L202 WeakPolarHBondContact O-CD1 3.35Å; S17-L202 WeakPolarHBondContact OG-CD1 3.42Å |
| 18 | T | 91.6 | Very high | 95 | Very high | 111 Ų | 111 | 43.1 Ų | 43.1 | 68% | 0.681 | 25% | 0.25 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 122.2 | -179.6 | -52.6 | 0 | 0 | 0 | 0 | 110.2 | ||
| 19 | P | 93.8 | Very high | 95.1 | Very high | 10 Ų | 10 | 40.3 Ų | 40.3 | 7% | 0.065 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 155.5 | 175.6 | -20.6 | 32.1 | 0 | 0 | 0 | 112.3 | V15 S17 T23 Y88 L125 L133 L202 | V15-P19 HydrophobicContact CG1-CG 4.33Å; S17-P19 VanDerWaalsContact O-CD 3.3Å; S17-P19 WeakPolarHBondContact O-CD 3.23Å; P19-T23 HydrophobicContact CB-CG2 3.78Å; P19-T23 WeakPolarHBondContact CB-OG1 3.43Å; P19-T23 HydrophobicContact CG-CG2 4.46Å; P19-Y88 HydrophobicContact CB-CD1 4.26Å; P19-Y88 HydrophobicContact CB-CE1 4.27Å; P19-Y88 VanDerWaalsContact CD-CE1 3.48Å; P19-Y88 HydrophobicContact CG-CD1 3.98Å; P19-Y88 HydrophobicContact CG-CE1 3.65Å; P19-Y88 HydrophobicContact CG-CE2 4.23Å; P19-Y88 HydrophobicContact CG-CG 4.42Å; P19-L125 HydrophobicContact CB-CD2 4.24Å; P19-L125 HydrophobicContact CG-CD2 3.76Å; P19-L133 HydrophobicContact CB-CD1 4.48Å; P19-L202 HydrophobicContact CG-CD1 4.19Å |
| 20 | P | 94.6 | Very high | 95.1 | Very high | 64 Ų | 64 | 40.6 Ų | 40.6 | 42% | 0.416 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -61.9 | 154.1 | 177.8 | 25.2 | -33 | 0 | 0 | 0 | 112.3 | T23 L133 | P20-T23 WeakPolarHBondContact O-CB 3.37Å; P20-T23 PolarHBondContact O-N 3.26Å; P20-T23 PolarHBondContact O-OG1 3.21Å; P20-L133 HydrophobicContact CG-CD1 4.01Å |
| 21 | P | 94.9 | Very high | 95.3 | Very high | 127 Ų | 127 | 39.7 Ų | 39.7 | 83% | 0.825 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 142.1 | 174.6 | -25.2 | 34.6 | 0 | 0 | 0 | 112.4 | T23 | P21-T23 VanDerWaalsContact C-N 3.3Š|
| 22 | G | 96 | Very high | 95.4 | Very high | 49 Ų | 49 | 44.5 Ų | 44.5 | 51% | 0.505 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 4.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 23 | T | 97.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.025 | 26% | 0.26 | C | S | . | . | trans | -57.8 | 144 | 170.5 | -65.2 | 0 | 0 | 0 | 0 | 111.1 | P19 P20 P21 Y88 L125 E126 L133 | P19-T23 HydrophobicContact CB-CG2 3.78Å; P19-T23 WeakPolarHBondContact CB-OG1 3.43Å; P19-T23 HydrophobicContact CG-CG2 4.46Å; P20-T23 WeakPolarHBondContact O-CB 3.37Å; P20-T23 PolarHBondContact O-N 3.26Å; P20-T23 PolarHBondContact O-OG1 3.21Å; P21-T23 VanDerWaalsContact C-N 3.3Å; T23-Y88 HydrophobicContact CG2-CG 4.19Å; T23-Y88 WeakPolarHBondContact O-CB 3.44Å; T23-Y88 PolarHBondContact O-N 2.66Å; T23-L125 HydrophobicContact CG2-CD1 3.32Å; T23-L125 HydrophobicContact CG2-CD2 4.27Å; T23-L125 HydrophobicContact CG2-CG 3.52Å; T23-E126 CarbonylContact C-O 3.47Å; T23-E126 VanDerWaalsContact CA-O 3.25Å; T23-E126 WeakPolarHBondContact CA-O 3.46Å; T23-E126 WeakPolarHBondContact CG2-O 3.4Å; T23-L133 HydrophobicContact CG2-CD1 3.98Å | ||
| 24 | R | 97.9 | Very high | 95.5 | Very high | 58 Ų | 58 | 51.5 Ų | 51.5 | 22% | 0.219 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 150.9 | 179.6 | -56.2 | -178.3 | 67.4 | 177.9 | -1.5 | 110.1 | E72 V85 V86 L125 E126 | R24-E72 IonicContact CZ-OE1 3.66Å; R24-E72 IonicContact CZ-OE2 2.92Å; R24-E72 IonicContact NH1-OE2 3.18Å; R24-E72 PolarHBondContact NH1-OE2 3.22Å; R24-E72 IonicContact NH2-OE1 2.66Å; R24-E72 PolarHBondContact NH2-OE1 3.18Å; R24-E72 IonicContact NH2-OE2 3.84Å; R24-E72 PolarHBondContact NH2-OE2 2.88Å; R24-V85 HydrophobicContact CB-CG1 3.69Å; R24-V85 HydrophobicContact CG-CG1 4.42Å; R24-V85 VanDerWaalsContact CZ-CG1 3.49Å; R24-V85 VanDerWaalsContact NH2-CG1 3.26Å; R24-V86 CarbonylContact C-O 3.53Å; R24-V86 WeakPolarHBondContact CA-O 2.9Å; R24-L125 WeakPolarHBondContact O-CA 3.3Å; R24-E126 PolarHBondContact N-O 2.88Å; R24-E126 PolarHBondContact O-N 2.95Å |
| 25 | V | 97.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121.7 | 173.6 | -171.7 | 0 | 0 | 0 | 0 | 108.4 | L13 V85 V86 Y88 I100 I123 T124 L125 | L13-V25 HydrophobicContact CD1-CB 4.36Å; L13-V25 HydrophobicContact CD1-CG1 3.95Å; L13-V25 HydrophobicContact CD1-CG2 3.63Å; L13-V25 HydrophobicContact CD2-CG1 4.4Å; V25-V85 CarbonylContact O-C 3.56Å; V25-V85 VanDerWaalsContact O-CA 3.3Å; V25-V85 WeakPolarHBondContact O-CA 3.34Å; V25-V86 HydrophobicContact CB-CG2 4.12Å; V25-V86 PolarHBondContact N-O 3Å; V25-V86 PolarHBondContact O-N 3.31Å; V25-Y88 HydrophobicContact CG2-CD2 4.1Å; V25-I100 HydrophobicContact CB-CD1 3.74Å; V25-I100 HydrophobicContact CG1-CD1 3.59Å; V25-I100 HydrophobicContact CG2-CD1 4.07Å; V25-I123 HydrophobicContact CG1-CG2 3.64Å; V25-T124 WeakPolarHBondContact CA-O 3.48Å; V25-L125 HydrophobicContact CG2-CD1 3.81Å |
| 26 | R | 98.1 | Very high | 95.7 | Very high | 44 Ų | 44 | 53.4 Ų | 53.4 | 17% | 0.166 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 136.3 | 177.7 | 172.3 | -170.7 | -48.5 | -85.1 | -4.7 | 110.4 | L74 S83 V84 V85 I123 T124 E126 | R26-L74 VanDerWaalsContact NH1-CD1 3.31Å; R26-S83 PolarHBondContact NH1-OG 2.89Å; R26-V84 CarbonylContact C-O 3.53Å; R26-V84 WeakPolarHBondContact CA-O 3.24Å; R26-V85 HydrophobicContact CB-CG1 4.41Å; R26-V85 HydrophobicContact CB-CG2 3.88Å; R26-V85 HydrophobicContact CG-CG2 3.91Å; R26-I123 CarbonylContact O-C 3.59Å; R26-I123 VanDerWaalsContact O-CA 3.3Å; R26-I123 WeakPolarHBondContact O-CA 3.47Å; R26-T124 WeakPolarHBondContact CB-OG1 3.43Å; R26-T124 PolarHBondContact N-O 2.65Å; R26-T124 PolarHBondContact O-N 3.49Å; R26-E126 VanDerWaalsContact CD-OE1 3.29Å; R26-E126 WeakPolarHBondContact CD-OE1 3.38Å; R26-E126 IonicContact CZ-OE1 3.99Å; R26-E126 IonicContact CZ-OE2 3.26Å; R26-E126 VanDerWaalsContact NE-CD 3.31Å; R26-E126 IonicContact NE-OE1 3.26Å; R26-E126 PolarHBondContact NE-OE1 3.05Å; R26-E126 IonicContact NE-OE2 2.68Å; R26-E126 PolarHBondContact NE-OE2 3.11Å; R26-E126 IonicContact NH2-OE2 3.18Å; R26-E126 PolarHBondContact NH2-OE2 3.26Å |
| 27 | A | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 133.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I63 S83 V84 Y102 T121 I122 I123 | A27-I63 HydrophobicContact CB-CD1 4.36Å; A27-I63 HydrophobicContact CB-CG2 4.26Å; A27-S83 VanDerWaalsContact O-CA 3.31Å; A27-S83 WeakPolarHBondContact O-CA 3.46Å; A27-S83 WeakPolarHBondContact O-CB 3.32Å; A27-V84 HydrophobicContact CB-CG1 3.87Å; A27-V84 PolarHBondContact N-O 2.86Å; A27-V84 PolarHBondContact O-N 2.85Å; A27-Y102 HydrophobicContact CB-CD1 4.28Å; A27-Y102 HydrophobicContact CB-CE1 3.48Å; A27-Y102 VanDerWaalsContact CB-CE1 3.48Å; A27-T121 HydrophobicContact CB-CG2 4.4Å; A27-I122 WeakPolarHBondContact CA-O 3.37Å; A27-I123 HydrophobicContact CB-CD1 3.52Å |
| 28 | M | 98.3 | Very high | 95.8 | Very high | 41 Ų | 41 | 57.8 Ų | 57.8 | 20% | 0.202 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 139.2 | 177.5 | -175.7 | -176.5 | -64.6 | 0 | 0 | 110.6 | R81 T121 I122 | M28-R81 HydrophobicContact CE-CB 4.22Å; M28-R81 HydrophobicContact SD-CB 3.98Å; M28-R81 VanDerWaalsContact SD-CD 3.56Å; M28-R81 HydrophobicContact SD-CG 4.41Å; M28-T121 WeakPolarHBondContact O-CA 3.47Å; M28-I122 PolarHBondContact N-O 3.02Å; M28-I122 PolarHBondContact O-N 3.05Å |
| 29 | A | 98.3 | Very high | 96.1 | Very high | 9 Ų | 9 | 56.3 Ų | 56.3 | 7% | 0.074 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 135.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V41 L62 I63 I119 L120 | A29-V41 HydrophobicContact CB-CB 3.84Å; A29-V41 HydrophobicContact CB-CG1 3.78Å; A29-V41 HydrophobicContact CB-CG2 4.19Å; A29-L62 HydrophobicContact CB-CD2 4.11Å; A29-I63 HydrophobicContact CB-CD1 3.95Å; A29-I63 HydrophobicContact CB-CG1 4.4Å; A29-I119 HydrophobicContact CB-CD1 4.34Å; A29-L120 WeakPolarHBondContact CA-O 3.39Å |
| 30 | I | 97.8 | Very high | 96.2 | Very high | 14 Ų | 14 | 56.5 Ų | 56.5 | 7% | 0.072 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 153.5 | 169 | 64.5 | 161.6 | 0 | 0 | 0 | 110.2 | M37 I119 L120 I122 | I30-M37 HydrophobicContact CD1-CE 4.02Å; I30-I119 CarbonylContact O-C 3.58Å; I30-I119 WeakPolarHBondContact O-CA 3.41Å; I30-I119 WeakPolarHBondContact O-CB 3.48Å; I30-L120 HydrophobicContact CD1-CD1 4.37Å; I30-L120 HydrophobicContact CG1-CB 3.98Å; I30-L120 PolarHBondContact N-O 3.27Å; I30-L120 PolarHBondContact O-N 2.78Å; I30-I122 HydrophobicContact CD1-CD1 3.6Å; I30-I122 HydrophobicContact CD1-CG1 4.42Å; I30-I122 HydrophobicContact CG1-CD1 3.87Å; I30-I122 HydrophobicContact CG1-CG1 4.32Å; I30-I122 HydrophobicContact CG2-CD1 4.24Å |
| 31 | Y | 98.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 138.4 | 170.2 | -69.6 | -67.6 | 0 | 0 | 0 | 110.7 | H36 E39 V41 G113 M114 R117 I119 | Y31-H36 HydrophobicContact CD2-CB 3.93Å; Y31-H36 WeakPolarHBondContact CD2-O 3.08Å; Y31-H36 HydrophobicContact CG-CB 3.81Å; Y31-E39 HydrophobicContact CD2-CB 3.99Å; Y31-E39 HydrophobicContact CD2-CG 4.49Å; Y31-E39 HydrophobicContact CE2-CB 3.98Å; Y31-E39 HydrophobicContact CE2-CG 3.97Å; Y31-V41 HydrophobicContact CD1-CG2 4.22Å; Y31-V41 HydrophobicContact CD2-CG2 3.76Å; Y31-V41 HydrophobicContact CE1-CG2 4.16Å; Y31-V41 HydrophobicContact CE2-CB 4.49Å; Y31-V41 HydrophobicContact CE2-CG2 3.72Å; Y31-V41 HydrophobicContact CG-CG2 4.02Å; Y31-G113 PolarHBondContact OH-O 2.93Å; Y31-M114 HydrophobicContact CE1-CG 4.33Å; Y31-R117 HydrophobicContact CD1-CB 3.66Å; Y31-R117 HydrophobicContact CE1-CB 3.71Å; Y31-R117 PolarHBondContact OH-NH2 3.4Å; Y31-I119 HydrophobicContact CD1-CG2 3.69Å; Y31-I119 HydrophobicContact CE1-CG2 3.84Å |
| 32 | K | 97.3 | Very high | 96.5 | Very high | 101 Ų | 101 | 52.9 Ų | 52.9 | 44% | 0.439 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -72.6 | -35.1 | -179.3 | 179.2 | 179.3 | 174.2 | -176.9 | 0 | 112.5 | P118 L120 E139 | K32-P118 HydrophobicContact CB-CB 4.26Å; K32-P118 HydrophobicContact CB-CG 4.2Å; K32-P118 HydrophobicContact CD-CB 4.34Å; K32-P118 HydrophobicContact CD-CG 4.45Å; K32-P118 PolarHBondContact N-O 3.35Å; K32-L120 HydrophobicContact CB-CD2 4.45Å; K32-L120 HydrophobicContact CB-CG 4.05Å; K32-L120 HydrophobicContact CD-CD2 4.35Å; K32-L120 HydrophobicContact CG-CD2 4.29Å; K32-L120 HydrophobicContact CG-CG 4.26Å; K32-E139 HydrophobicContact CD-CG 4.44Å; K32-E139 WeakPolarHBondContact CD-OE1 3.33Å; K32-E139 IonicContact NZ-OE1 3.81Å; K32-E139 PolarHBondContact NZ-OE1 2.87Å; K32-E139 VanDerWaalsContact NZ-OE1 3.15Å; K32-E139 IonicContact NZ-OE2 2.7Å; K32-E139 PolarHBondContact NZ-OE2 3.01Å |
| 33 | Q | 95.9 | Very high | 96.6 | Very high | 78 Ų | 78 | 50.6 Ų | 50.6 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -80 | 133.9 | -176.1 | -67.2 | 177.8 | -30.5 | 0 | 0 | 110.8 | Q35 H36 M37 P118 | Q33-Q35 VanDerWaalsContact C-N 3.29Å; Q33-Q35 PolarHBondContact O-N 2.93Å; Q33-H36 PolarHBondContact O-N 2.76Å; Q33-M37 PolarHBondContact O-N 3.42Å; Q33-P118 HydrophobicContact CG-CG 4.09Å |
| 34 | S | 94.4 | Very high | 96.6 | Very high | 100 Ų | 100 | 50.6 Ų | 50.6 | 70% | 0.699 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -57.5 | -39 | -173.1 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | H36 M37 | S34-H36 PolarHBondContact O-N 2.86Å; S34-H36 VanDerWaalsContact O-N 3.11Å; S34-M37 WeakPolarHBondContact O-CB 3.3Å; S34-M37 PolarHBondContact O-N 3.31Å |
| 35 | Q | 95.7 | Very high | 96.6 | Very high | 119 Ų | 119 | 50.4 Ų | 50.4 | 56% | 0.556 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -64.8 | -15 | 179.2 | 70.5 | -86.4 | 15.8 | 0 | 0 | 114.4 | Q33 | Q33-Q35 VanDerWaalsContact C-N 3.29Å; Q33-Q35 PolarHBondContact O-N 2.93Å |
| 36 | H | 93.9 | Very high | 96.5 | Very high | 49 Ų | 49 | 57.3 Ų | 57.3 | 23% | 0.227 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -115.4 | 1 | 178.7 | -60.3 | -53 | 0 | 0 | 0 | 112.6 | Y31 Q33 S34 T38 E39 R117 | Y31-H36 HydrophobicContact CD2-CB 3.93Å; Y31-H36 WeakPolarHBondContact CD2-O 3.08Å; Y31-H36 HydrophobicContact CG-CB 3.81Å; Q33-H36 PolarHBondContact O-N 2.76Å; S34-H36 PolarHBondContact O-N 2.86Å; S34-H36 VanDerWaalsContact O-N 3.11Å; H36-T38 PolarHBondContact O-N 2.77Å; H36-E39 WeakPolarHBondContact O-CB 3.46Å; H36-E39 PolarHBondContact O-N 3.21Å; H36-R117 VanDerWaalsContact CD2-CD 3.46Å; H36-R117 WeakPolarHBondContact CD2-CD 3.29Å |
| 37 | M | 89.8 | Confident | 96.5 | Very high | 102 Ų | 102 | 56.3 Ų | 56.3 | 50% | 0.502 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -28 | -169.1 | -165 | 179.9 | -178.3 | 0 | 0 | 112.9 | I30 Q33 S34 R81 | I30-M37 HydrophobicContact CD1-CE 4.02Å; Q33-M37 PolarHBondContact O-N 3.42Å; S34-M37 WeakPolarHBondContact O-CB 3.3Å; S34-M37 PolarHBondContact O-N 3.31Å; M37-R81 PolarHBondContact O-NH2 3.28Å |
| 38 | T | 92.4 | Very high | 96.3 | Very high | 130 Ų | 130 | 58.8 Ų | 58.8 | 80% | 0.798 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -17.2 | 176.2 | 54.1 | 0 | 0 | 0 | 0 | 113.5 | H36 | H36-T38 PolarHBondContact O-N 2.77Š|
| 39 | E | 96.6 | Very high | 96.1 | Very high | 80 Ų | 80 | 66.9 Ų | 66.9 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -74.6 | 144.4 | 178.9 | -168.4 | 179.4 | 145 | 0 | 0 | 111 | Y31 H36 R81 R117 | Y31-E39 HydrophobicContact CD2-CB 3.99Å; Y31-E39 HydrophobicContact CD2-CG 4.49Å; Y31-E39 HydrophobicContact CE2-CB 3.98Å; Y31-E39 HydrophobicContact CE2-CG 3.97Å; H36-E39 WeakPolarHBondContact O-CB 3.46Å; H36-E39 PolarHBondContact O-N 3.21Å; E39-R81 PolarHBondContact O-NH1 3.41Å; E39-R81 VanDerWaalsContact O-NH1 3.09Å; E39-R117 IonicContact OE1-CZ 3.86Å; E39-R117 VanDerWaalsContact OE1-CZ 3.3Å; E39-R117 IonicContact OE1-NH1 3.12Å; E39-R117 PolarHBondContact OE1-NH1 2.84Å; E39-R117 IonicContact OE1-NH2 2.81Å; E39-R117 PolarHBondContact OE1-NH2 2.75Å; E39-R117 IonicContact OE2-CZ 2.62Å; E39-R117 IonicContact OE2-NH1 3.88Å; E39-R117 PolarHBondContact OE2-NH1 3.32Å; E39-R117 IonicContact OE2-NH2 3.33Å |
| 40 | V | 97.4 | Very high | 95.7 | Very high | 15 Ų | 15 | 69.4 Ų | 69.4 | 9% | 0.091 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 123.8 | 175.5 | 175.8 | 0 | 0 | 0 | 0 | 109.3 | R42 F80 R81 | V40-R42 PolarHBondContact O-N 2.96Å; V40-F80 VanDerWaalsContact CG1-O 3.29Å; V40-F80 WeakPolarHBondContact CG1-O 3.36Å; V40-F80 HydrophobicContact CG2-CB 4.06Å; V40-F80 WeakPolarHBondContact CG2-O 3.39Å; V40-R81 HydrophobicContact CG2-CG 4.33Å |
| 41 | V | 98.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 74.6 Ų | 74.6 | 3% | 0.03 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -73 | 117.2 | 170.4 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | A29 Y31 L62 M114 I119 | A29-V41 HydrophobicContact CB-CB 3.84Å; A29-V41 HydrophobicContact CB-CG1 3.78Å; A29-V41 HydrophobicContact CB-CG2 4.19Å; Y31-V41 HydrophobicContact CD1-CG2 4.22Å; Y31-V41 HydrophobicContact CD2-CG2 3.76Å; Y31-V41 HydrophobicContact CE1-CG2 4.16Å; Y31-V41 HydrophobicContact CE2-CB 4.49Å; Y31-V41 HydrophobicContact CE2-CG2 3.72Å; Y31-V41 HydrophobicContact CG-CG2 4.02Å; V41-L62 HydrophobicContact CG1-CB 4.46Å; V41-L62 HydrophobicContact CG1-CD2 3.41Å; V41-L62 VanDerWaalsContact CG1-CD2 3.41Å; V41-M114 HydrophobicContact CG1-CG 4.4Å; V41-I119 HydrophobicContact CG1-CG2 4.14Å; V41-I119 HydrophobicContact CG2-CG2 4.04Å |
| 42 | R | 97.3 | Very high | 94 | Very high | 109 Ų | 109 | 77.1 Ų | 77.1 | 41% | 0.411 | 39% | 0.394 | S | S | . | . | trans | -134.8 | 164.2 | 178.5 | 55.9 | -175.4 | 62.2 | 160.1 | -4.8 | 111.3 | V40 | V40-R42 PolarHBondContact O-N 2.96Š| ||
| 43 | R | 97.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 75.6 Ų | 75.6 | 0% | 0.004 | 40% | 0.396 | C | S | . | . | trans | -63.3 | 156.2 | 172.4 | -68.8 | -179.5 | 70 | -166.6 | 16.2 | 109.6 | H47 E48 D52 P59 Q60 H61 M105 C106 | R43-H47 HydrophobicContact CB-CB 4.29Å; R43-H47 PolarHBondContact NH1-O 2.94Å; R43-H47 VanDerWaalsContact NH1-O 3.15Å; R43-H47 PolarHBondContact NH2-O 3.3Å; R43-E48 HydrophobicContact CB-CG 3.66Å; R43-D52 IonicContact CZ-OD1 3.35Å; R43-D52 IonicContact CZ-OD2 2.95Å; R43-D52 IonicContact NH1-OD1 2.64Å; R43-D52 PolarHBondContact NH1-OD1 2.92Å; R43-D52 IonicContact NH1-OD2 2.62Å; R43-D52 IonicContact NH2-OD1 3.23Å; R43-D52 PolarHBondContact NH2-OD1 2.78Å; R43-D52 IonicContact NH2-OD2 3.15Å; R43-D52 PolarHBondContact NH2-OD2 3.47Å; R43-P59 VanDerWaalsContact CD-O 3.24Å; R43-P59 WeakPolarHBondContact CD-O 3.48Å; R43-P59 PolarHBondContact NH1-O 3.36Å; R43-Q60 PolarHBondContact N-O 3.01Å; R43-H61 WeakPolarHBondContact CD-O 3.42Å; R43-M105 HydrophobicContact CG-CB 4.32Å; R43-M105 PolarHBondContact NE-O 3.36Å; R43-M105 PolarHBondContact NH2-O 3.4Å; R43-C106 HydrophobicContact CG-CB 4.26Å | ||
| 44 | C | 97.9 | Very high | 92.4 | Very high | 4 Ų | 4 | 75.8 Ų | 75.8 | 3% | 0.027 | 40% | 0.399 | C | S | . | . | trans | -73.1 | 158.1 | 175.1 | 69.3 | 0 | 0 | 0 | 0 | 110.8 | H46 H47 E48 C110 M111 | C44-H46 PolarHBondContact O-N 3.26Å; C44-H47 PolarHBondContact O-N 3.06Å; C44-H47 PolarHBondContact SG-ND1 2.97Å; C44-E48 WeakPolarHBondContact O-CG 3.24Å; C44-E48 PolarHBondContact O-N 2.84Å; C44-C110 HydrophobicContact CB-CB 3.75Å; C44-M111 WeakPolarHBondContact CB-O 3.38Å | ||
| 45 | P | 97.1 | Very high | 91.9 | Very high | 55 Ų | 55 | 74.2 Ų | 74.2 | 36% | 0.357 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -55.4 | -26.4 | -178.9 | -29 | 35.4 | 0 | 0 | 0 | 115.1 | R49 | P45-R49 WeakPolarHBondContact O-CD 3.46Å; P45-R49 VanDerWaalsContact O-CG 3.25Å; P45-R49 WeakPolarHBondContact O-CG 3.46Å; P45-R49 PolarHBondContact O-NE 2.83Å |
| 46 | H | 96.8 | Very high | 91.6 | Very high | 145 Ų | 145 | 73.1 Ų | 73.1 | 67% | 0.671 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -71.1 | -47.8 | 175.5 | 178.6 | 67.5 | 0 | 0 | 0 | 111.8 | C44 R49 C50 | C44-H46 PolarHBondContact O-N 3.26Å; H46-R49 PolarHBondContact O-N 3.15Å; H46-C50 PolarHBondContact O-N 2.75Å |
| 47 | H | 96.3 | Very high | 91.6 | Very high | 23 Ų | 23 | 70.9 Ų | 70.9 | 11% | 0.106 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -74 | -31 | -180 | -77.8 | 136.6 | 0 | 0 | 0 | 112.7 | R43 C44 R49 C50 C106 C110 | R43-H47 HydrophobicContact CB-CB 4.29Å; R43-H47 PolarHBondContact NH1-O 2.94Å; R43-H47 VanDerWaalsContact NH1-O 3.15Å; R43-H47 PolarHBondContact NH2-O 3.3Å; C44-H47 PolarHBondContact O-N 3.06Å; C44-H47 PolarHBondContact SG-ND1 2.97Å; H47-R49 PolarHBondContact O-N 2.62Å; H47-C50 WeakPolarHBondContact O-CB 3.5Å; H47-C50 PolarHBondContact O-N 2.73Å; H47-C106 PolarHBondContact ND1-SG 2.84Å; H47-C106 VanDerWaalsContact ND1-SG 3.39Å; H47-C110 PolarHBondContact CE1-SG 2.81Å |
| 48 | E | 95.3 | Very high | 91.8 | Very high | 52 Ų | 52 | 67.6 Ų | 67.6 | 24% | 0.243 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.7 | -27.5 | 172.9 | -69.7 | -174.5 | 161 | 0 | 0 | 113 | R43 C44 P59 Q60 | R43-E48 HydrophobicContact CB-CG 3.66Å; C44-E48 WeakPolarHBondContact O-CG 3.24Å; C44-E48 PolarHBondContact O-N 2.84Å; E48-P59 WeakPolarHBondContact O-CB 3.37Å; E48-Q60 HydrophobicContact CG-CG 4.46Å |
| 49 | R | 94.7 | Very high | 92 | Very high | 212 Ų | 212 | 63.8 Ų | 63.8 | 80% | 0.8 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -4 | 178.1 | -64.4 | 175.6 | -154.9 | -133.8 | 2.1 | 113.2 | P45 H46 H47 | P45-R49 WeakPolarHBondContact O-CD 3.46Å; P45-R49 VanDerWaalsContact O-CG 3.25Å; P45-R49 WeakPolarHBondContact O-CG 3.46Å; P45-R49 PolarHBondContact O-NE 2.83Å; H46-R49 PolarHBondContact O-N 3.15Å; H47-R49 PolarHBondContact O-N 2.62Å |
| 50 | C | 89.9 | Confident | 91.9 | Very high | 61 Ų | 61 | 63.5 Ų | 63.5 | 41% | 0.412 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -74.1 | 137.1 | 178.5 | -164.3 | 0 | 0 | 0 | 0 | 109.5 | H46 H47 D52 | H46-C50 PolarHBondContact O-N 2.75Å; H47-C50 WeakPolarHBondContact O-CB 3.5Å; H47-C50 PolarHBondContact O-N 2.73Å; C50-D52 PolarHBondContact O-N 2.87Å |
| 51 | S | 78.2 | Confident | 91.9 | Very high | 124 Ų | 124 | 62.9 Ų | 62.9 | 87% | 0.867 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -77.9 | 40.7 | 179.2 | -42.2 | 0 | 0 | 0 | 0 | 112.7 | S53 | S51-S53 VanDerWaalsContact C-N 3.32Å; S51-S53 PolarHBondContact O-N 3.02Å |
| 52 | D | 82.1 | Confident | 91.9 | Very high | 54 Ų | 54 | 62.8 Ų | 62.8 | 29% | 0.289 | 35% | 0.345 | S | S | . | . | trans | -96.2 | 27.2 | -177.5 | 69.5 | -0.5 | 0 | 0 | 0 | 113.1 | R43 C50 R64 | R43-D52 IonicContact CZ-OD1 3.35Å; R43-D52 IonicContact CZ-OD2 2.95Å; R43-D52 IonicContact NH1-OD1 2.64Å; R43-D52 PolarHBondContact NH1-OD1 2.92Å; R43-D52 IonicContact NH1-OD2 2.62Å; R43-D52 IonicContact NH2-OD1 3.23Å; R43-D52 PolarHBondContact NH2-OD1 2.78Å; R43-D52 IonicContact NH2-OD2 3.15Å; R43-D52 PolarHBondContact NH2-OD2 3.47Å; C50-D52 PolarHBondContact O-N 2.87Å; D52-R64 PolarHBondContact O-NH1 3.33Å; D52-R64 PolarHBondContact O-NH2 3.4Å; D52-R64 IonicContact OD1-NH2 3.15Å; D52-R64 PolarHBondContact OD1-NH2 3.08Å | ||
| 53 | S | 79.8 | Confident | 92 | Very high | 70 Ų | 70 | 58 Ų | 58 | 49% | 0.49 | 33% | 0.327 | S | S | . | . | trans | -73.9 | 135.7 | 178.8 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | S51 G55 | S51-S53 VanDerWaalsContact C-N 3.32Å; S51-S53 PolarHBondContact O-N 3.02Å; S53-G55 PolarHBondContact OG-N 2.92Å; S53-G55 VanDerWaalsContact OG-N 3.08Å | ||
| 54 | D | 79.7 | Confident | 91.9 | Very high | 81 Ų | 81 | 58.4 Ų | 58.4 | 43% | 0.433 | 33% | 0.329 | S | S | . | . | trans | -85.1 | 5.5 | 168.6 | 46.1 | 37.8 | 0 | 0 | 0 | 112 | L56 A57 R64 | D54-L56 PolarHBondContact O-N 2.81Å; D54-L56 PolarHBondContact OD1-N 2.89Å; D54-A57 WeakPolarHBondContact OD1-CB 3.13Å; D54-A57 PolarHBondContact OD1-N 2.64Å; D54-R64 WeakPolarHBondContact OD2-CD 3.3Å; D54-R64 IonicContact OD2-CZ 3.01Å; D54-R64 IonicContact OD2-NE 3.38Å; D54-R64 IonicContact OD2-NH1 2.65Å; D54-R64 PolarHBondContact OD2-NH1 2.65Å | ||
| 55 | G | 83.9 | Confident | 91.9 | Very high | 67 Ų | 67 | 58.9 Ų | 58.9 | 69% | 0.691 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 82.7 | -14 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S53 | S53-G55 PolarHBondContact OG-N 2.92Å; S53-G55 VanDerWaalsContact OG-N 3.08Å |
| 56 | L | 89.3 | Confident | 91.7 | Very high | 96 Ų | 96 | 60.4 Ų | 60.4 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -106.1 | -44 | -179.2 | -63.9 | 174.8 | 0 | 0 | 0 | 111.9 | D54 P58 V71 Y73 | D54-L56 PolarHBondContact O-N 2.81Å; D54-L56 PolarHBondContact OD1-N 2.89Å; L56-P58 WeakPolarHBondContact O-CD 3.46Å; L56-V71 HydrophobicContact CD1-CG1 3.88Å; L56-Y73 HydrophobicContact CB-CD2 4.37Å; L56-Y73 HydrophobicContact CB-CE2 4.03Å; L56-Y73 WeakPolarHBondContact O-CD2 3.43Å |
| 57 | A | 93.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 3% | 0.025 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -81.7 | 124.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D54 R64 Y73 | D54-A57 WeakPolarHBondContact OD1-CB 3.13Å; D54-A57 PolarHBondContact OD1-N 2.64Å; A57-R64 HydrophobicContact CB-CG 3.9Å; A57-Y73 HydrophobicContact CB-CD1 4.18Å; A57-Y73 HydrophobicContact CB-CD2 4.19Å; A57-Y73 HydrophobicContact CB-CE1 3.67Å; A57-Y73 HydrophobicContact CB-CE2 3.72Å; A57-Y73 HydrophobicContact CB-CG 4.41Å; A57-Y73 VanDerWaalsContact CB-CZ 3.43Å |
| 58 | P | 94.6 | Very high | 91.2 | Very high | 32 Ų | 32 | 58.2 Ų | 58.2 | 21% | 0.208 | 35% | 0.348 | C | S | . | . | trans | -60.3 | 144.2 | 170.2 | -19.5 | 30.7 | 0 | 0 | 0 | 110.7 | L56 Q60 H61 Y73 | L56-P58 WeakPolarHBondContact O-CD 3.46Å; P58-Q60 PolarHBondContact O-N 2.88Å; P58-H61 PolarHBondContact O-N 3.23Å; P58-H61 VanDerWaalsContact O-N 3.11Å; P58-Y73 VanDerWaalsContact CD-CB 3.43Å | ||
| 59 | P | 95.1 | Very high | 91.1 | Very high | 51 Ų | 51 | 63.6 Ų | 63.6 | 33% | 0.331 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -13.1 | -171.8 | 23.3 | -32.8 | 0 | 0 | 0 | 114.4 | R43 E48 | R43-P59 VanDerWaalsContact CD-O 3.24Å; R43-P59 WeakPolarHBondContact CD-O 3.48Å; R43-P59 PolarHBondContact NH1-O 3.36Å; E48-P59 WeakPolarHBondContact O-CB 3.37Å |
| 60 | Q | 96 | Very high | 91.2 | Very high | 74 Ų | 74 | 59.3 Ų | 59.3 | 35% | 0.346 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -16 | 179.6 | -53.4 | 83.8 | -7.6 | 0 | 0 | 113.9 | R43 E48 P58 L62 H82 | R43-Q60 PolarHBondContact N-O 3.01Å; E48-Q60 HydrophobicContact CG-CG 4.46Å; P58-Q60 PolarHBondContact O-N 2.88Å; Q60-L62 PolarHBondContact O-N 2.8Å; Q60-H82 PolarHBondContact O-ND1 3.5Å |
| 61 | H | 97.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | trans | -72.8 | 123 | -174.3 | -80.9 | -119.6 | 0 | 0 | 0 | 111.6 | R43 P58 Y73 L74 D75 H82 S83 | R43-H61 WeakPolarHBondContact CD-O 3.42Å; P58-H61 PolarHBondContact O-N 3.23Å; P58-H61 VanDerWaalsContact O-N 3.11Å; H61-Y73 HydrophobicContact CB-CD1 4.3Å; H61-Y73 AromaticContact CG-CD1 3.98Å; H61-Y73 AromaticContact ND1-CD1 3.46Å; H61-Y73 WeakPolarHBondContact ND1-CD1 3.21Å; H61-L74 PolarHBondContact CE1-O 3.12Å; H61-D75 IonicContact CD2-OD1 2.75Å; H61-D75 IonicContact CE1-OD1 3.93Å; H61-D75 IonicContact NE2-OD1 3.3Å; H61-D75 PolarHBondContact NE2-OD1 3.06Å; H61-H82 AromaticContact CD2-CG 3.95Å; H61-H82 AromaticContact NE2-CG 3.9Å; H61-S83 PolarHBondContact CE1-O 2.7Å | ||
| 62 | L | 98 | Very high | 92.4 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -72.5 | -41.1 | 178.5 | 177 | 64.1 | 0 | 0 | 0 | 112.3 | A29 V41 Q60 Y104 M105 C106 M114 I119 | A29-L62 HydrophobicContact CB-CD2 4.11Å; V41-L62 HydrophobicContact CG1-CB 4.46Å; V41-L62 HydrophobicContact CG1-CD2 3.41Å; V41-L62 VanDerWaalsContact CG1-CD2 3.41Å; Q60-L62 PolarHBondContact O-N 2.8Å; L62-Y104 HydrophobicContact CG-CD1 4.36Å; L62-Y104 WeakPolarHBondContact O-CA 3.33Å; L62-M105 PolarHBondContact O-N 3.5Å; L62-C106 HydrophobicContact CD1-CB 3.5Å; L62-C106 VanDerWaalsContact CD1-CB 3.5Å; L62-M114 HydrophobicContact CD1-CE 4.03Å; L62-M114 HydrophobicContact CD2-CE 4.23Å; L62-M114 HydrophobicContact CD2-SD 4.14Å; L62-I119 HydrophobicContact CD2-CD1 3.58Å |
| 63 | I | 98.1 | Very high | 93.1 | Very high | 8 Ų | 8 | 54.6 Ų | 54.6 | 4% | 0.041 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 128.1 | -174.8 | -52.6 | 177.7 | 0 | 0 | 0 | 108.2 | A27 A29 V84 Y102 N103 Y104 T121 | A27-I63 HydrophobicContact CB-CD1 4.36Å; A27-I63 HydrophobicContact CB-CG2 4.26Å; A29-I63 HydrophobicContact CB-CD1 3.95Å; A29-I63 HydrophobicContact CB-CG1 4.4Å; I63-V84 HydrophobicContact CB-CG1 4.22Å; I63-V84 HydrophobicContact CG2-CG1 3.82Å; I63-Y102 HydrophobicContact CG2-CD1 3.54Å; I63-Y102 HydrophobicContact CG2-CE1 4.21Å; I63-Y102 HydrophobicContact CG2-CG 4.19Å; I63-N103 WeakPolarHBondContact CA-O 3.43Å; I63-Y104 HydrophobicContact CD1-CE1 4.13Å; I63-Y104 HydrophobicContact CG1-CD1 4.16Å; I63-Y104 HydrophobicContact CG1-CE1 3.83Å; I63-T121 HydrophobicContact CD1-CG2 3.91Å |
| 64 | R | 97.2 | Very high | 93.9 | Very high | 10 Ų | 10 | 54 Ų | 54 | 4% | 0.038 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 161.2 | 170.9 | -63.8 | -169.2 | -173 | 177.9 | 12.8 | 110.8 | D52 D54 A57 Y73 Y102 N103 M105 | D52-R64 PolarHBondContact O-NH1 3.33Å; D52-R64 PolarHBondContact O-NH2 3.4Å; D52-R64 IonicContact OD1-NH2 3.15Å; D52-R64 PolarHBondContact OD1-NH2 3.08Å; D54-R64 WeakPolarHBondContact OD2-CD 3.3Å; D54-R64 IonicContact OD2-CZ 3.01Å; D54-R64 IonicContact OD2-NE 3.38Å; D54-R64 IonicContact OD2-NH1 2.65Å; D54-R64 PolarHBondContact OD2-NH1 2.65Å; A57-R64 HydrophobicContact CB-CG 3.9Å; R64-Y73 WeakPolarHBondContact CA-OH 3.3Å; R64-Y73 HydrophobicContact CB-CE1 4.39Å; R64-Y73 WeakPolarHBondContact CB-OH 3.5Å; R64-Y73 HydrophobicContact CG-CE1 4.13Å; R64-Y102 CarbonylContact O-C 3.58Å; R64-Y102 VanDerWaalsContact O-CA 3.23Å; R64-Y102 WeakPolarHBondContact O-CA 3.46Å; R64-N103 HydrophobicContact CB-CB 4.43Å; R64-N103 PolarHBondContact N-O 3.47Å; R64-N103 PolarHBondContact O-N 3.5Å; R64-M105 HydrophobicContact CB-CG 4.39Å; R64-M105 HydrophobicContact CG-CG 3.67Å; R64-M105 HydrophobicContact CG-SD 4.35Å |
| 65 | V | 97.1 | Very high | 94.8 | Very high | 13 Ų | 13 | 54.2 Ų | 54.2 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 133.2 | 172.4 | 176.3 | 0 | 0 | 0 | 0 | 109.4 | N68 V71 Y73 V84 V86 I100 H101 Y102 | V65-N68 HydrophobicContact CG1-CB 3.98Å; V65-V71 HydrophobicContact CB-CG2 3.99Å; V65-V71 HydrophobicContact CG2-CG2 4.3Å; V65-Y73 PolarHBondContact N-OH 3.08Å; V65-V84 HydrophobicContact CB-CG2 4.3Å; V65-V84 HydrophobicContact CG2-CB 4.49Å; V65-V84 HydrophobicContact CG2-CG1 4.01Å; V65-V84 HydrophobicContact CG2-CG2 3.62Å; V65-V86 HydrophobicContact CB-CG1 4.31Å; V65-V86 HydrophobicContact CG1-CG1 3.96Å; V65-V86 HydrophobicContact CG2-CG1 4.15Å; V65-I100 HydrophobicContact CG1-CG2 3.94Å; V65-I100 HydrophobicContact CG2-CG2 4.11Å; V65-H101 WeakPolarHBondContact CA-O 3.46Å; V65-Y102 HydrophobicContact CG2-CD1 3.68Å; V65-Y102 HydrophobicContact CG2-CE1 3.53Å |
| 66 | E | 93 | Very high | 95.3 | Very high | 88 Ų | 88 | 54 Ų | 54 | 41% | 0.411 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 142 | 178.1 | -171.2 | 176.2 | 172.3 | 0 | 0 | 110.6 | T8 N68 H101 N103 | T8-E66 WeakPolarHBondContact CB-OE2 3.29Å; T8-E66 WeakPolarHBondContact CG2-OE2 3.41Å; T8-E66 PolarHBondContact OG1-OE2 3.03Å; E66-N68 VanDerWaalsContact C-N 3.32Å; E66-N68 PolarHBondContact O-N 3.09Å; E66-H101 HydrophobicContact CB-CB 3.97Å; E66-H101 PolarHBondContact N-O 2.84Å; E66-N103 PolarHBondContact OE2-ND2 2.9Å |
| 67 | G | 91.2 | Very high | 95.6 | Very high | 86 Ų | 86 | 60.2 Ų | 60.2 | 89% | 0.887 | 31% | 0.31 | S | S | * | . | S | Bend | trans | 73.3 | 14.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 68 | N | 92 | Very high | 95.7 | Very high | 36 Ų | 36 | 66.8 Ų | 66.8 | 19% | 0.193 | 34% | 0.344 | C | S | . | . | trans | -128.4 | 112.1 | 177.1 | -165.2 | -36.7 | 0 | 0 | 0 | 111.7 | V65 E66 R70 V71 V86 | V65-N68 HydrophobicContact CG1-CB 3.98Å; E66-N68 VanDerWaalsContact C-N 3.32Å; E66-N68 PolarHBondContact O-N 3.09Å; N68-R70 VanDerWaalsContact C-N 3.33Å; N68-R70 PolarHBondContact OD1-N 2.91Å; N68-V71 WeakPolarHBondContact O-CB 3.31Å; N68-V71 WeakPolarHBondContact O-CG1 3.37Å; N68-V71 PolarHBondContact O-N 2.96Å; N68-V86 HydrophobicContact CB-CG1 4.24Å | ||
| 69 | L | 92.6 | Very high | 95.8 | Very high | 164 Ų | 164 | 68.5 Ų | 68.5 | 86% | 0.859 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -14.3 | -179.4 | -63.2 | 177.2 | 0 | 0 | 0 | 114 | ||
| 70 | R | 95.7 | Very high | 95.8 | Very high | 122 Ų | 122 | 72.6 Ų | 72.6 | 46% | 0.46 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 17.6 | 175.6 | -63.9 | 175.7 | -64.4 | -172.6 | -7.6 | 111.9 | N68 P87 E89 | N68-R70 VanDerWaalsContact C-N 3.33Å; N68-R70 PolarHBondContact OD1-N 2.91Å; R70-P87 HydrophobicContact CB-CG 3.77Å; R70-P87 WeakPolarHBondContact O-CD 3.33Å; R70-E89 IonicContact CZ-OE1 3.49Å; R70-E89 IonicContact NH1-OE1 3.34Å; R70-E89 PolarHBondContact NH1-OE1 2.75Å; R70-E89 IonicContact NH2-OE1 3.56Å; R70-E89 PolarHBondContact NH2-OE1 2.89Å; R70-E89 IonicContact NH2-OE2 3.8Å; R70-E89 PolarHBondContact NH2-OE2 2.93Å; R70-E89 VanDerWaalsContact NH2-OE2 3.15Å |
| 71 | V | 97.2 | Very high | 95.9 | Very high | 14 Ų | 14 | 71.1 Ų | 71.1 | 9% | 0.085 | 36% | 0.358 | C | S | . | . | trans | -68.6 | 135.9 | 175.4 | 66.5 | 0 | 0 | 0 | 0 | 110.5 | L56 V65 N68 Y73 V84 V85 V86 | L56-V71 HydrophobicContact CD1-CG1 3.88Å; V65-V71 HydrophobicContact CB-CG2 3.99Å; V65-V71 HydrophobicContact CG2-CG2 4.3Å; N68-V71 WeakPolarHBondContact O-CB 3.31Å; N68-V71 WeakPolarHBondContact O-CG1 3.37Å; N68-V71 PolarHBondContact O-N 2.96Å; V71-Y73 HydrophobicContact CB-CE2 4.48Å; V71-Y73 HydrophobicContact CG1-CE2 3.84Å; V71-Y73 HydrophobicContact CG2-CD2 4.3Å; V71-Y73 HydrophobicContact CG2-CE2 3.77Å; V71-V84 HydrophobicContact CG2-CG2 3.22Å; V71-V85 WeakPolarHBondContact CA-O 3.37Å; V71-V86 HydrophobicContact CB-CG1 4.01Å; V71-V86 HydrophobicContact CG2-CG1 4Å | ||
| 72 | E | 96.9 | Very high | 95.9 | Very high | 94 Ų | 94 | 72.4 Ų | 72.4 | 44% | 0.439 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128.3 | 172.4 | -70.9 | 175.4 | -150 | 0 | 0 | 109.4 | R24 V85 | R24-E72 IonicContact CZ-OE1 3.66Å; R24-E72 IonicContact CZ-OE2 2.92Å; R24-E72 IonicContact NH1-OE2 3.18Å; R24-E72 PolarHBondContact NH1-OE2 3.22Å; R24-E72 IonicContact NH2-OE1 2.66Å; R24-E72 PolarHBondContact NH2-OE1 3.18Å; R24-E72 IonicContact NH2-OE2 3.84Å; R24-E72 PolarHBondContact NH2-OE2 2.88Å; E72-V85 PolarHBondContact N-O 3.19Å; E72-V85 PolarHBondContact O-N 2.75Å |
| 73 | Y | 97.6 | Very high | 96 | Very high | 32 Ų | 32 | 72.5 Ų | 72.5 | 13% | 0.125 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125 | 173.1 | -67.7 | -87.9 | 0 | 0 | 0 | 109 | L56 A57 P58 H61 R64 V65 V71 V84 | L56-Y73 HydrophobicContact CB-CD2 4.37Å; L56-Y73 HydrophobicContact CB-CE2 4.03Å; L56-Y73 WeakPolarHBondContact O-CD2 3.43Å; A57-Y73 HydrophobicContact CB-CD1 4.18Å; A57-Y73 HydrophobicContact CB-CD2 4.19Å; A57-Y73 HydrophobicContact CB-CE1 3.67Å; A57-Y73 HydrophobicContact CB-CE2 3.72Å; A57-Y73 HydrophobicContact CB-CG 4.41Å; A57-Y73 VanDerWaalsContact CB-CZ 3.43Å; P58-Y73 VanDerWaalsContact CD-CB 3.43Å; H61-Y73 HydrophobicContact CB-CD1 4.3Å; H61-Y73 AromaticContact CG-CD1 3.98Å; H61-Y73 AromaticContact ND1-CD1 3.46Å; H61-Y73 WeakPolarHBondContact ND1-CD1 3.21Å; R64-Y73 WeakPolarHBondContact CA-OH 3.3Å; R64-Y73 HydrophobicContact CB-CE1 4.39Å; R64-Y73 WeakPolarHBondContact CB-OH 3.5Å; R64-Y73 HydrophobicContact CG-CE1 4.13Å; V65-Y73 PolarHBondContact N-OH 3.08Å; V71-Y73 HydrophobicContact CB-CE2 4.48Å; V71-Y73 HydrophobicContact CG1-CE2 3.84Å; V71-Y73 HydrophobicContact CG2-CD2 4.3Å; V71-Y73 HydrophobicContact CG2-CE2 3.77Å; Y73-V84 HydrophobicContact CD1-CB 3.97Å; Y73-V84 HydrophobicContact CD1-CG2 3.87Å; Y73-V84 HydrophobicContact CE1-CB 3.93Å; Y73-V84 HydrophobicContact CE1-CG2 3.58Å; Y73-V84 HydrophobicContact CE2-CG2 4.49Å; Y73-V84 HydrophobicContact CG-CG2 4.48Å |
| 74 | L | 96.8 | Very high | 96 | Very high | 58 Ų | 58 | 72.1 Ų | 72.1 | 30% | 0.304 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 128.4 | -174 | -63.1 | 178.1 | 0 | 0 | 0 | 111.3 | R26 H61 S83 V85 | R26-L74 VanDerWaalsContact NH1-CD1 3.31Å; H61-L74 PolarHBondContact CE1-O 3.12Å; L74-S83 PolarHBondContact N-O 2.73Å; L74-S83 PolarHBondContact O-N 2.83Å; L74-V85 HydrophobicContact CD1-CG2 3.8Å; L74-V85 HydrophobicContact CG-CG2 4.45Å |
| 75 | D | 97.1 | Very high | 96 | Very high | 85 Ų | 85 | 71.7 Ų | 71.7 | 46% | 0.455 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 107.6 | 166.6 | -65.1 | -31.3 | 0 | 0 | 0 | 108.5 | H61 R77 H82 | H61-D75 IonicContact CD2-OD1 2.75Å; H61-D75 IonicContact CE1-OD1 3.93Å; H61-D75 IonicContact NE2-OD1 3.3Å; H61-D75 PolarHBondContact NE2-OD1 3.06Å; D75-R77 PolarHBondContact O-N 2.92Å; D75-H82 IonicContact OD1-CD2 2.93Å; D75-H82 PolarHBondContact OD1-CD2 2.82Å; D75-H82 IonicContact OD1-CG 3.72Å; D75-H82 IonicContact OD1-NE2 2.78Å |
| 76 | D | 96 | Very high | 96 | Very high | 63 Ų | 63 | 71.1 Ų | 71.1 | 34% | 0.337 | 36% | 0.359 | S | S | . | . | trans | -66.6 | 123.6 | -179.6 | -176.8 | -87.7 | 0 | 0 | 0 | 110.5 | N78 T79 F80 R81 | D76-N78 VanDerWaalsContact C-N 3.26Å; D76-N78 PolarHBondContact O-N 3.11Å; D76-N78 PolarHBondContact OD1-N 2.99Å; D76-T79 WeakPolarHBondContact CB-OG1 3.49Å; D76-T79 WeakPolarHBondContact OD1-CB 3.47Å; D76-T79 PolarHBondContact OD1-N 3.08Å; D76-T79 PolarHBondContact OD1-OG1 3.28Å; D76-F80 WeakPolarHBondContact O-CA 3.18Å; D76-F80 PolarHBondContact O-N 2.92Å; D76-R81 PolarHBondContact N-O 2.79Å | ||
| 77 | R | 95 | Very high | 96.2 | Very high | 227 Ų | 227 | 68.7 Ų | 68.7 | 86% | 0.857 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -20.2 | -172.7 | -66.8 | -174.6 | 176.8 | -174.5 | -0.2 | 114.2 | D75 | D75-R77 PolarHBondContact O-N 2.92Š|
| 78 | N | 95.7 | Very high | 96.5 | Very high | 141 Ų | 141 | 65.9 Ų | 65.9 | 75% | 0.754 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -42.8 | -175 | -62.3 | -36.7 | 0 | 0 | 0 | 111.2 | D76 | D76-N78 VanDerWaalsContact C-N 3.26Å; D76-N78 PolarHBondContact O-N 3.11Å; D76-N78 PolarHBondContact OD1-N 2.99Å |
| 79 | T | 95.3 | Very high | 96.6 | Very high | 68 Ų | 68 | 68.5 Ų | 68.5 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -12.5 | -174.7 | 66.6 | 0 | 0 | 0 | 0 | 113 | D76 R81 | D76-T79 WeakPolarHBondContact CB-OG1 3.49Å; D76-T79 WeakPolarHBondContact OD1-CB 3.47Å; D76-T79 PolarHBondContact OD1-N 3.08Å; D76-T79 PolarHBondContact OD1-OG1 3.28Å; T79-R81 PolarHBondContact O-N 3.21Å; T79-R81 VanDerWaalsContact O-N 3.08Å; T79-R81 PolarHBondContact OG1-N 3.31Å |
| 80 | F | 96.4 | Very high | 96.6 | Very high | 137 Ų | 137 | 64.7 Ų | 64.7 | 60% | 0.601 | 31% | 0.309 | S | S | * | . | trans | 57.8 | 15.6 | -173.9 | -51.3 | -74.7 | 0 | 0 | 0 | 113.9 | V40 D76 | V40-F80 VanDerWaalsContact CG1-O 3.29Å; V40-F80 WeakPolarHBondContact CG1-O 3.36Å; V40-F80 HydrophobicContact CG2-CB 4.06Å; V40-F80 WeakPolarHBondContact CG2-O 3.39Å; D76-F80 WeakPolarHBondContact O-CA 3.18Å; D76-F80 PolarHBondContact O-N 2.92Å | ||
| 81 | R | 97.6 | Very high | 96.5 | Very high | 43 Ų | 43 | 61 Ų | 61 | 16% | 0.162 | 30% | 0.301 | C | S | . | . | trans | -77.4 | 138.4 | 179 | -67.1 | -171.1 | -174.1 | -75.6 | -1.9 | 110.2 | M28 M37 E39 V40 D76 T79 | M28-R81 HydrophobicContact CE-CB 4.22Å; M28-R81 HydrophobicContact SD-CB 3.98Å; M28-R81 VanDerWaalsContact SD-CD 3.56Å; M28-R81 HydrophobicContact SD-CG 4.41Å; M37-R81 PolarHBondContact O-NH2 3.28Å; E39-R81 PolarHBondContact O-NH1 3.41Å; E39-R81 VanDerWaalsContact O-NH1 3.09Å; V40-R81 HydrophobicContact CG2-CG 4.33Å; D76-R81 PolarHBondContact N-O 2.79Å; T79-R81 PolarHBondContact O-N 3.21Å; T79-R81 VanDerWaalsContact O-N 3.08Å; T79-R81 PolarHBondContact OG1-N 3.31Å | ||
| 82 | H | 98.2 | Very high | 96.2 | Very high | 27 Ų | 27 | 68.3 Ų | 68.3 | 13% | 0.125 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 135.7 | 175.4 | -52.3 | 156.9 | 0 | 0 | 0 | 109.1 | Q60 H61 D75 | Q60-H82 PolarHBondContact O-ND1 3.5Å; H61-H82 AromaticContact CD2-CG 3.95Å; H61-H82 AromaticContact NE2-CG 3.9Å; D75-H82 IonicContact OD1-CD2 2.93Å; D75-H82 PolarHBondContact OD1-CD2 2.82Å; D75-H82 IonicContact OD1-CG 3.72Å; D75-H82 IonicContact OD1-NE2 2.78Å |
| 83 | S | 98.3 | Very high | 95.9 | Very high | 6 Ų | 6 | 71.4 Ų | 71.4 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 155.5 | 171.6 | 60.3 | 0 | 0 | 0 | 0 | 111 | R26 A27 H61 L74 | R26-S83 PolarHBondContact NH1-OG 2.89Å; A27-S83 VanDerWaalsContact O-CA 3.31Å; A27-S83 WeakPolarHBondContact O-CA 3.46Å; A27-S83 WeakPolarHBondContact O-CB 3.32Å; H61-S83 PolarHBondContact CE1-O 2.7Å; L74-S83 PolarHBondContact N-O 2.73Å; L74-S83 PolarHBondContact O-N 2.83Å |
| 84 | V | 98.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.006 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 136.6 | 173.6 | 61.6 | 0 | 0 | 0 | 0 | 108.5 | R26 A27 I63 V65 V71 Y73 Y102 | R26-V84 CarbonylContact C-O 3.53Å; R26-V84 WeakPolarHBondContact CA-O 3.24Å; A27-V84 HydrophobicContact CB-CG1 3.87Å; A27-V84 PolarHBondContact N-O 2.86Å; A27-V84 PolarHBondContact O-N 2.85Å; I63-V84 HydrophobicContact CB-CG1 4.22Å; I63-V84 HydrophobicContact CG2-CG1 3.82Å; V65-V84 HydrophobicContact CB-CG2 4.3Å; V65-V84 HydrophobicContact CG2-CB 4.49Å; V65-V84 HydrophobicContact CG2-CG1 4.01Å; V65-V84 HydrophobicContact CG2-CG2 3.62Å; V71-V84 HydrophobicContact CG2-CG2 3.22Å; Y73-V84 HydrophobicContact CD1-CB 3.97Å; Y73-V84 HydrophobicContact CD1-CG2 3.87Å; Y73-V84 HydrophobicContact CE1-CB 3.93Å; Y73-V84 HydrophobicContact CE1-CG2 3.58Å; Y73-V84 HydrophobicContact CE2-CG2 4.49Å; Y73-V84 HydrophobicContact CG-CG2 4.48Å; V84-Y102 HydrophobicContact CG1-CD1 4.48Å; V84-Y102 HydrophobicContact CG1-CE1 4.12Å |
| 85 | V | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 136 | -174.5 | -168.3 | 0 | 0 | 0 | 0 | 110.2 | R24 V25 R26 V71 E72 L74 | R24-V85 HydrophobicContact CB-CG1 3.69Å; R24-V85 HydrophobicContact CG-CG1 4.42Å; R24-V85 VanDerWaalsContact CZ-CG1 3.49Å; R24-V85 VanDerWaalsContact NH2-CG1 3.26Å; V25-V85 CarbonylContact O-C 3.56Å; V25-V85 VanDerWaalsContact O-CA 3.3Å; V25-V85 WeakPolarHBondContact O-CA 3.34Å; R26-V85 HydrophobicContact CB-CG1 4.41Å; R26-V85 HydrophobicContact CB-CG2 3.88Å; R26-V85 HydrophobicContact CG-CG2 3.91Å; V71-V85 WeakPolarHBondContact CA-O 3.37Å; E72-V85 PolarHBondContact N-O 3.19Å; E72-V85 PolarHBondContact O-N 2.75Å; L74-V85 HydrophobicContact CD1-CG2 3.8Å; L74-V85 HydrophobicContact CG-CG2 4.45Å |
| 86 | V | 97.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 75.8 Ų | 75.8 | 1% | 0.012 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 152.3 | 171.5 | -67.9 | 0 | 0 | 0 | 0 | 110.5 | R24 V25 V65 N68 V71 Y88 I100 | R24-V86 CarbonylContact C-O 3.53Å; R24-V86 WeakPolarHBondContact CA-O 2.9Å; V25-V86 HydrophobicContact CB-CG2 4.12Å; V25-V86 PolarHBondContact N-O 3Å; V25-V86 PolarHBondContact O-N 3.31Å; V65-V86 HydrophobicContact CB-CG1 4.31Å; V65-V86 HydrophobicContact CG1-CG1 3.96Å; V65-V86 HydrophobicContact CG2-CG1 4.15Å; N68-V86 HydrophobicContact CB-CG1 4.24Å; V71-V86 HydrophobicContact CB-CG1 4.01Å; V71-V86 HydrophobicContact CG2-CG1 4Å; V86-Y88 PolarHBondContact O-N 2.86Å; V86-I100 HydrophobicContact CG2-CD1 3.55Å; V86-I100 HydrophobicContact CG2-CG1 4.29Å |
| 87 | P | 97.5 | Very high | 94.9 | Very high | 37 Ų | 37 | 73.2 Ų | 73.2 | 24% | 0.24 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 136.9 | 166.8 | -22.6 | 33.8 | 0 | 0 | 0 | 110.4 | R70 | R70-P87 HydrophobicContact CB-CG 3.77Å; R70-P87 WeakPolarHBondContact O-CD 3.33Å |
| 88 | Y | 96.5 | Very high | 94.8 | Very high | 26 Ų | 26 | 63.4 Ų | 63.4 | 10% | 0.102 | 36% | 0.362 | C | S | . | . | trans | -70.7 | 130.3 | 167.6 | 171.4 | -94.6 | 0 | 0 | 0 | 108.8 | V15 P19 T23 V25 V86 P90 L125 | V15-Y88 HydrophobicContact CG1-CE2 4.44Å; V15-Y88 WeakPolarHBondContact CG2-OH 3.35Å; P19-Y88 HydrophobicContact CB-CD1 4.26Å; P19-Y88 HydrophobicContact CB-CE1 4.27Å; P19-Y88 VanDerWaalsContact CD-CE1 3.48Å; P19-Y88 HydrophobicContact CG-CD1 3.98Å; P19-Y88 HydrophobicContact CG-CE1 3.65Å; P19-Y88 HydrophobicContact CG-CE2 4.23Å; P19-Y88 HydrophobicContact CG-CG 4.42Å; T23-Y88 HydrophobicContact CG2-CG 4.19Å; T23-Y88 WeakPolarHBondContact O-CB 3.44Å; T23-Y88 PolarHBondContact O-N 2.66Å; V25-Y88 HydrophobicContact CG2-CD2 4.1Å; V86-Y88 PolarHBondContact O-N 2.86Å; Y88-P90 HydrophobicContact CE1-CG 4.37Å; Y88-L125 HydrophobicContact CD2-CD1 3.94Å; Y88-L125 HydrophobicContact CG-CD1 4.24Å | ||
| 89 | E | 94.4 | Very high | 94.7 | Very high | 92 Ų | 92 | 59 Ų | 59 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | trans | -115.6 | 136.9 | 170.5 | -61.9 | -160.6 | 121.6 | 0 | 0 | 109.3 | R70 T98 | R70-E89 IonicContact CZ-OE1 3.49Å; R70-E89 IonicContact NH1-OE1 3.34Å; R70-E89 PolarHBondContact NH1-OE1 2.75Å; R70-E89 IonicContact NH2-OE1 3.56Å; R70-E89 PolarHBondContact NH2-OE1 2.89Å; R70-E89 IonicContact NH2-OE2 3.8Å; R70-E89 PolarHBondContact NH2-OE2 2.93Å; R70-E89 VanDerWaalsContact NH2-OE2 3.15Å; E89-T98 WeakPolarHBondContact O-CB 3.18Å; E89-T98 VanDerWaalsContact O-CG2 3.24Å; E89-T98 WeakPolarHBondContact O-CG2 3.36Å; E89-T98 PolarHBondContact O-OG1 3.17Å | ||
| 90 | P | 92.6 | Very high | 94.7 | Very high | 84 Ų | 84 | 56.3 Ų | 56.3 | 55% | 0.545 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 154.6 | 170.8 | -23.4 | 33.8 | 0 | 0 | 0 | 111.6 | Y88 | Y88-P90 HydrophobicContact CE1-CG 4.37Š|
| 91 | P | 93.2 | Very high | 94.7 | Very high | 43 Ų | 43 | 53.4 Ų | 53.4 | 28% | 0.279 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 144.5 | 176.9 | -25.6 | 34.7 | 0 | 0 | 0 | 112.4 | S95 | P91-S95 WeakPolarHBondContact CB-O 3.38Š|
| 92 | E | 91.2 | Very high | 94.7 | Very high | 169 Ų | 169 | 51.4 Ų | 51.4 | 79% | 0.79 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 154.8 | 171.2 | -65.6 | -177.3 | -173.1 | 0 | 0 | 110.9 | G94 S95 | E92-G94 PolarHBondContact O-N 2.82Å; E92-G94 VanDerWaalsContact O-N 3.08Å; E92-S95 WeakPolarHBondContact O-CB 3.42Å; E92-S95 PolarHBondContact O-N 2.81Å |
| 93 | V | 91.7 | Very high | 94.7 | Very high | 159 Ų | 159 | 51.1 Ų | 51.1 | 96% | 0.964 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 118.8 | 179.4 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | ||
| 94 | G | 91.9 | Very high | 94.7 | Very high | 88 Ų | 88 | 50.8 Ų | 50.8 | 91% | 0.907 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.8 | 0.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | E92 | E92-G94 PolarHBondContact O-N 2.82Å; E92-G94 VanDerWaalsContact O-N 3.08Å |
| 95 | S | 91.7 | Very high | 94.6 | Very high | 51 Ų | 51 | 51.3 Ų | 51.3 | 36% | 0.357 | 30% | 0.304 | S | S | . | . | trans | -108 | 143.6 | 170.5 | -174.7 | 0 | 0 | 0 | 0 | 111.2 | P91 E92 C97 | P91-S95 WeakPolarHBondContact CB-O 3.38Å; E92-S95 WeakPolarHBondContact O-CB 3.42Å; E92-S95 PolarHBondContact O-N 2.81Å; S95-C97 PolarHBondContact OG-N 2.94Å; S95-C97 PolarHBondContact OG-O 2.99Å | ||
| 96 | D | 90.1 | Very high | 94.6 | Very high | 127 Ų | 127 | 51.3 Ų | 51.3 | 68% | 0.679 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -88.9 | -7.4 | 173.2 | -61.1 | -38.7 | 0 | 0 | 0 | 112.6 | W14 | W14-D96 HydrophobicContact CH2-CB 3.97Å; W14-D96 HydrophobicContact CZ3-CB 3.82Å |
| 97 | C | 92.1 | Very high | 94.6 | Very high | 10 Ų | 10 | 53 Ų | 53 | 7% | 0.068 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -144.6 | 158.1 | -173.6 | 68.4 | 0 | 0 | 0 | 0 | 113.2 | Q12 L13 W14 S95 | Q12-C97 HydrophobicContact CB-CB 4.48Å; L13-C97 VanDerWaalsContact O-CB 3.32Å; L13-C97 WeakPolarHBondContact O-CB 3.23Å; W14-C97 HydrophobicContact CD2-CB 3.96Å; W14-C97 HydrophobicContact CG-CB 4.02Å; W14-C97 HydrophobicContact CZ2-CB 4.28Å; S95-C97 PolarHBondContact OG-N 2.94Å; S95-C97 PolarHBondContact OG-O 2.99Å |
| 98 | T | 92.6 | Very high | 94.6 | Very high | 20 Ų | 20 | 52 Ų | 52 | 12% | 0.123 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 135.7 | 173.7 | -55 | 0 | 0 | 0 | 0 | 108.8 | Q12 L13 E89 | Q12-T98 CarbonylContact C-O 3.56Å; Q12-T98 WeakPolarHBondContact CA-O 3.45Å; L13-T98 WeakPolarHBondContact CB-O 3.35Å; L13-T98 PolarHBondContact N-O 3.22Å; L13-T98 PolarHBondContact O-N 3.18Å; E89-T98 WeakPolarHBondContact O-CB 3.18Å; E89-T98 VanDerWaalsContact O-CG2 3.24Å; E89-T98 WeakPolarHBondContact O-CG2 3.36Å; E89-T98 PolarHBondContact O-OG1 3.17Å |
| 99 | T | 94 | Very high | 94.7 | Very high | 49 Ų | 49 | 53.8 Ų | 53.8 | 30% | 0.301 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.4 | 179.4 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | P10 V11 Y195 | P10-T99 HydrophobicContact CB-CG2 3.82Å; V11-T99 WeakPolarHBondContact O-CA 3.28Å; T99-Y195 HydrophobicContact CG2-CD1 4.5Å; T99-Y195 HydrophobicContact CG2-CE1 4.44Å |
| 100 | I | 95.7 | Very high | 94.9 | Very high | 12 Ų | 12 | 50.3 Ų | 50.3 | 6% | 0.062 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 131.3 | 169.6 | -58.6 | 174.1 | 0 | 0 | 0 | 109.1 | V11 L13 V25 V65 V86 Y102 | V11-I100 PolarHBondContact N-O 2.79Å; V11-I100 PolarHBondContact O-N 3.24Å; L13-I100 HydrophobicContact CD1-CD1 3.68Å; L13-I100 HydrophobicContact CD1-CG1 4.14Å; V25-I100 HydrophobicContact CB-CD1 3.74Å; V25-I100 HydrophobicContact CG1-CD1 3.59Å; V25-I100 HydrophobicContact CG2-CD1 4.07Å; V65-I100 HydrophobicContact CG1-CG2 3.94Å; V65-I100 HydrophobicContact CG2-CG2 4.11Å; V86-I100 HydrophobicContact CG2-CD1 3.55Å; V86-I100 HydrophobicContact CG2-CG1 4.29Å; I100-Y102 HydrophobicContact CB-CD2 4.45Å; I100-Y102 HydrophobicContact CB-CE2 3.82Å; I100-Y102 HydrophobicContact CG2-CD1 4.21Å; I100-Y102 HydrophobicContact CG2-CD2 4.1Å; I100-Y102 HydrophobicContact CG2-CE1 3.75Å; I100-Y102 HydrophobicContact CG2-CE2 3.63Å; I100-Y102 HydrophobicContact CG2-CG 4.38Å; I100-Y102 VanDerWaalsContact CG2-CZ 3.43Å |
| 101 | H | 96.3 | Very high | 95.1 | Very high | 75 Ų | 75 | 54.1 Ų | 54.1 | 35% | 0.347 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 105.9 | 177.6 | -64.9 | 128.3 | 0 | 0 | 0 | 110.4 | T8 V65 E66 | T8-H101 HydrophobicContact CG2-CB 3.82Å; V65-H101 WeakPolarHBondContact CA-O 3.46Å; E66-H101 HydrophobicContact CB-CB 3.97Å; E66-H101 PolarHBondContact N-O 2.84Å |
| 102 | Y | 97.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 0% | 0.004 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 152.6 | 176.6 | -66 | -72.5 | 0 | 0 | 0 | 112.1 | C9 V11 A27 I63 R64 V65 V84 I100 I123 | C9-Y102 WeakPolarHBondContact CA-O 3.36Å; C9-Y102 VanDerWaalsContact CB-O 3.3Å; C9-Y102 WeakPolarHBondContact CB-O 3.38Å; C9-Y102 PolarHBondContact N-O 2.87Å; C9-Y102 PolarHBondContact O-N 2.99Å; V11-Y102 HydrophobicContact CB-CD2 3.9Å; V11-Y102 HydrophobicContact CB-CE2 3.87Å; V11-Y102 HydrophobicContact CG1-CE2 4.35Å; V11-Y102 HydrophobicContact CG2-CD2 3.63Å; V11-Y102 HydrophobicContact CG2-CE2 4.02Å; A27-Y102 HydrophobicContact CB-CD1 4.28Å; A27-Y102 HydrophobicContact CB-CE1 3.48Å; A27-Y102 VanDerWaalsContact CB-CE1 3.48Å; I63-Y102 HydrophobicContact CG2-CD1 3.54Å; I63-Y102 HydrophobicContact CG2-CE1 4.21Å; I63-Y102 HydrophobicContact CG2-CG 4.19Å; R64-Y102 CarbonylContact O-C 3.58Å; R64-Y102 VanDerWaalsContact O-CA 3.23Å; R64-Y102 WeakPolarHBondContact O-CA 3.46Å; V65-Y102 HydrophobicContact CG2-CD1 3.68Å; V65-Y102 HydrophobicContact CG2-CE1 3.53Å; V84-Y102 HydrophobicContact CG1-CD1 4.48Å; V84-Y102 HydrophobicContact CG1-CE1 4.12Å; I100-Y102 HydrophobicContact CB-CD2 4.45Å; I100-Y102 HydrophobicContact CB-CE2 3.82Å; I100-Y102 HydrophobicContact CG2-CD1 4.21Å; I100-Y102 HydrophobicContact CG2-CD2 4.1Å; I100-Y102 HydrophobicContact CG2-CE1 3.75Å; I100-Y102 HydrophobicContact CG2-CE2 3.63Å; I100-Y102 HydrophobicContact CG2-CG 4.38Å; I100-Y102 VanDerWaalsContact CG2-CZ 3.43Å; Y102-I123 HydrophobicContact CE2-CD1 4.03Å |
| 103 | N | 97.2 | Very high | 95.5 | Very high | 21 Ų | 21 | 46.6 Ų | 46.6 | 11% | 0.112 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 139.5 | 165.5 | -46 | 113.9 | 0 | 0 | 0 | 110 | K7 T8 I63 R64 E66 M105 | K7-N103 PolarHBondContact O-ND2 2.94Å; T8-N103 WeakPolarHBondContact CA-ND2 3.46Å; T8-N103 PolarHBondContact N-ND2 2.87Å; I63-N103 WeakPolarHBondContact CA-O 3.43Å; R64-N103 HydrophobicContact CB-CB 4.43Å; R64-N103 PolarHBondContact N-O 3.47Å; R64-N103 PolarHBondContact O-N 3.5Å; E66-N103 PolarHBondContact OE2-ND2 2.9Å; N103-M105 HydrophobicContact CB-SD 3.8Å |
| 104 | Y | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 119.4 | 173.9 | -66.1 | -93.6 | 0 | 0 | 0 | 110 | M1 A6 C9 L62 I63 C106 T121 V140 V142 | M1-Y104 HydrophobicContact SD-CE2 3.93Å; A6-Y104 PolarHBondContact N-O 3.47Å; C9-Y104 HydrophobicContact CB-CE2 4.19Å; L62-Y104 HydrophobicContact CG-CD1 4.36Å; L62-Y104 WeakPolarHBondContact O-CA 3.33Å; I63-Y104 HydrophobicContact CD1-CE1 4.13Å; I63-Y104 HydrophobicContact CG1-CD1 4.16Å; I63-Y104 HydrophobicContact CG1-CE1 3.83Å; Y104-C106 PolarHBondContact O-N 3.22Å; Y104-T121 WeakPolarHBondContact CE1-OG1 3.49Å; Y104-T121 PolarHBondContact OH-OG1 2.75Å; Y104-V140 HydrophobicContact CD1-CG1 3.96Å; Y104-V140 HydrophobicContact CD2-CG1 4.22Å; Y104-V140 HydrophobicContact CE1-CB 4.19Å; Y104-V140 HydrophobicContact CE1-CG1 3.75Å; Y104-V140 HydrophobicContact CE1-CG2 4Å; Y104-V140 HydrophobicContact CE2-CG1 4.03Å; Y104-V140 HydrophobicContact CG-CG1 4.2Å; Y104-V140 WeakPolarHBondContact OH-CG2 3.33Å; Y104-V142 VanDerWaalsContact CB-CG2 3.49Å; Y104-V142 HydrophobicContact CD1-CG2 4.26Å; Y104-V142 HydrophobicContact CG-CG2 3.94Å |
| 105 | M | 97.3 | Very high | 96 | Very high | 12 Ų | 12 | 38.8 Ų | 38.8 | 6% | 0.059 | 23% | 0.229 | C | C | . | . | trans | -98.5 | 18.3 | -164.2 | -55.1 | -52.2 | -70.4 | 0 | 0 | 113.8 | A6 R43 L62 R64 N103 | A6-M105 HydrophobicContact CB-CE 3.89Å; A6-M105 HydrophobicContact CB-SD 3.88Å; R43-M105 HydrophobicContact CG-CB 4.32Å; R43-M105 PolarHBondContact NE-O 3.36Å; R43-M105 PolarHBondContact NH2-O 3.4Å; L62-M105 PolarHBondContact O-N 3.5Å; R64-M105 HydrophobicContact CB-CG 4.39Å; R64-M105 HydrophobicContact CG-CG 3.67Å; R64-M105 HydrophobicContact CG-SD 4.35Å; N103-M105 HydrophobicContact CB-SD 3.8Å | ||
| 106 | C | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -153.9 | 140.8 | 174.1 | -160.8 | 0 | 0 | 0 | 0 | 110.5 | L5 R43 H47 L62 Y104 C110 M114 V142 | L5-C106 VanDerWaalsContact CD1-N 3.26Å; R43-C106 HydrophobicContact CG-CB 4.26Å; H47-C106 PolarHBondContact ND1-SG 2.84Å; H47-C106 VanDerWaalsContact ND1-SG 3.39Å; L62-C106 HydrophobicContact CD1-CB 3.5Å; L62-C106 VanDerWaalsContact CD1-CB 3.5Å; Y104-C106 PolarHBondContact O-N 3.22Å; C106-C110 WeakPolarHBondContact SG-CB 3.2Å; C106-C110 PolarHBondContact SG-SG 3.18Å; C106-M114 HydrophobicContact CB-CE 4.19Å; C106-M114 WeakPolarHBondContact O-CE 3.4Å; C106-V142 VanDerWaalsContact O-CB 3.3Å; C106-V142 WeakPolarHBondContact O-CB 3.4Å; C106-V142 WeakPolarHBondContact O-CG1 3.45Å; C106-V142 WeakPolarHBondContact O-CG2 3.34Å |
| 107 | N | 98 | Very high | 96.6 | Very high | 38 Ų | 38 | 41.5 Ų | 41.5 | 20% | 0.203 | 22% | 0.222 | C | C | . | . | trans | -71.3 | 147.3 | 172.1 | -70.8 | -52.7 | 0 | 0 | 0 | 110.8 | S109 C110 M114 | N107-S109 PolarHBondContact O-N 3.38Å; N107-S109 VanDerWaalsContact O-N 3.13Å; N107-C110 WeakPolarHBondContact O-CB 3.38Å; N107-C110 PolarHBondContact O-N 3.35Å; N107-M114 VanDerWaalsContact C-CE 3.46Å; N107-M114 WeakPolarHBondContact O-CE 3.45Å | ||
| 108 | S | 98.1 | Very high | 96.8 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 10% | 0.098 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.6 | 175.2 | -63 | 0 | 0 | 0 | 0 | 112 | N115 R116 V142 | S108-N115 PolarHBondContact O-N 2.86Å; S108-R116 VanDerWaalsContact O-CA 3.31Å; S108-R116 WeakPolarHBondContact O-CA 3.44Å; S108-R116 PolarHBondContact O-N 3.43Å; S108-V142 PolarHBondContact N-O 3.38Å; S108-V142 PolarHBondContact OG-N 2.92Å; S108-V142 PolarHBondContact OG-O 3.26Å |
| 109 | S | 97.9 | Very high | 97.1 | Very high | 64 Ų | 64 | 41.6 Ų | 41.6 | 45% | 0.448 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -6.3 | 178.3 | 57 | 0 | 0 | 0 | 0 | 115.2 | N107 M111 | N107-S109 PolarHBondContact O-N 3.38Å; N107-S109 VanDerWaalsContact O-N 3.13Å; S109-M111 PolarHBondContact O-N 3.26Å |
| 110 | C | 97.8 | Very high | 97.3 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 13% | 0.128 | 22% | 0.218 | C | C | . | . | trans | -63.2 | 121.9 | -173.7 | -75.9 | 0 | 0 | 0 | 0 | 112.2 | C44 H47 C106 N107 G113 N115 | C44-C110 HydrophobicContact CB-CB 3.75Å; H47-C110 PolarHBondContact CE1-SG 2.81Å; C106-C110 WeakPolarHBondContact SG-CB 3.2Å; C106-C110 PolarHBondContact SG-SG 3.18Å; N107-C110 WeakPolarHBondContact O-CB 3.38Å; N107-C110 PolarHBondContact O-N 3.35Å; C110-G113 PolarHBondContact O-N 2.68Å; C110-N115 WeakPolarHBondContact O-CA 3.14Å; C110-N115 PolarHBondContact O-N 3.15Å | ||
| 111 | M | 97.4 | Very high | 97.4 | Very high | 164 Ų | 164 | 40.6 Ų | 40.6 | 81% | 0.808 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 137.3 | 174.7 | -172.8 | 173.6 | 69.9 | 0 | 0 | 110.6 | C44 S109 G113 | C44-M111 WeakPolarHBondContact CB-O 3.38Å; S109-M111 PolarHBondContact O-N 3.26Å; M111-G113 PolarHBondContact O-N 3.26Å |
| 112 | G | 95.6 | Very high | 97.5 | Very high | 53 Ų | 53 | 38 Ų | 38 | 55% | 0.546 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | -2.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 113 | G | 96.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -119.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y31 C110 M111 N115 R117 | Y31-G113 PolarHBondContact OH-O 2.93Å; C110-G113 PolarHBondContact O-N 2.68Å; M111-G113 PolarHBondContact O-N 3.26Å; G113-N115 VanDerWaalsContact C-N 3.28Å; G113-N115 PolarHBondContact O-N 3.29Å; G113-R117 PolarHBondContact O-NH2 2.82Å |
| 114 | M | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -34.5 | 174.5 | -74.3 | -172.5 | -83.4 | 0 | 0 | 113.7 | Y31 V41 L62 C106 N107 R116 R117 I119 V142 | Y31-M114 HydrophobicContact CE1-CG 4.33Å; V41-M114 HydrophobicContact CG1-CG 4.4Å; L62-M114 HydrophobicContact CD1-CE 4.03Å; L62-M114 HydrophobicContact CD2-CE 4.23Å; L62-M114 HydrophobicContact CD2-SD 4.14Å; C106-M114 HydrophobicContact CB-CE 4.19Å; C106-M114 WeakPolarHBondContact O-CE 3.4Å; N107-M114 VanDerWaalsContact C-CE 3.46Å; N107-M114 WeakPolarHBondContact O-CE 3.45Å; M114-R116 PolarHBondContact O-N 3.33Å; M114-R117 WeakPolarHBondContact O-CB 3.48Å; M114-R117 WeakPolarHBondContact O-CG 3.25Å; M114-R117 PolarHBondContact O-N 3.19Å; M114-R117 PolarHBondContact O-NE 2.68Å; M114-I119 HydrophobicContact CG-CG2 4.16Å; M114-I119 HydrophobicContact SD-CD1 3.79Å; M114-I119 HydrophobicContact SD-CG1 4.09Å; M114-I119 HydrophobicContact SD-CG2 3.82Å; M114-V142 HydrophobicContact CE-CG2 4.24Å |
| 115 | N | 97.4 | Very high | 97.4 | Very high | 84 Ų | 84 | 37.8 Ų | 37.8 | 45% | 0.449 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 51.6 | 174.1 | -165 | 33.5 | 0 | 0 | 0 | 114.4 | S108 C110 G113 R117 | S108-N115 PolarHBondContact O-N 2.86Å; C110-N115 WeakPolarHBondContact O-CA 3.14Å; C110-N115 PolarHBondContact O-N 3.15Å; G113-N115 VanDerWaalsContact C-N 3.28Å; G113-N115 PolarHBondContact O-N 3.29Å; N115-R117 PolarHBondContact O-N 2.85Å |
| 116 | R | 96.8 | Very high | 97.5 | Very high | 200 Ų | 200 | 38.2 Ų | 38.2 | 76% | 0.755 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 12.7 | -179.5 | -53.1 | 175.6 | -179.4 | -89.2 | 0.4 | 115.3 | S108 M114 | S108-R116 VanDerWaalsContact O-CA 3.31Å; S108-R116 WeakPolarHBondContact O-CA 3.44Å; S108-R116 PolarHBondContact O-N 3.43Å; M114-R116 PolarHBondContact O-N 3.33Å |
| 117 | R | 97.4 | Very high | 97.4 | Very high | 35 Ų | 35 | 39.6 Ų | 39.6 | 13% | 0.132 | 21% | 0.212 | C | C | . | . | trans | -86.7 | 127.5 | 174.8 | -59.4 | 172.2 | -71.3 | 174.8 | 0.3 | 110 | Y31 H36 E39 G113 M114 N115 | Y31-R117 HydrophobicContact CD1-CB 3.66Å; Y31-R117 HydrophobicContact CE1-CB 3.71Å; Y31-R117 PolarHBondContact OH-NH2 3.4Å; H36-R117 VanDerWaalsContact CD2-CD 3.46Å; H36-R117 WeakPolarHBondContact CD2-CD 3.29Å; E39-R117 IonicContact OE1-CZ 3.86Å; E39-R117 VanDerWaalsContact OE1-CZ 3.3Å; E39-R117 IonicContact OE1-NH1 3.12Å; E39-R117 PolarHBondContact OE1-NH1 2.84Å; E39-R117 IonicContact OE1-NH2 2.81Å; E39-R117 PolarHBondContact OE1-NH2 2.75Å; E39-R117 IonicContact OE2-CZ 2.62Å; E39-R117 IonicContact OE2-NH1 3.88Å; E39-R117 PolarHBondContact OE2-NH1 3.32Å; E39-R117 IonicContact OE2-NH2 3.33Å; G113-R117 PolarHBondContact O-NH2 2.82Å; M114-R117 WeakPolarHBondContact O-CB 3.48Å; M114-R117 WeakPolarHBondContact O-CG 3.25Å; M114-R117 PolarHBondContact O-N 3.19Å; M114-R117 PolarHBondContact O-NE 2.68Å; N115-R117 PolarHBondContact O-N 2.85Å | ||
| 118 | P | 96.9 | Very high | 97.2 | Very high | 32 Ų | 32 | 42.1 Ų | 42.1 | 21% | 0.208 | 23% | 0.233 | C | C | . | . | trans | -69.1 | 146.2 | 178.6 | 26.7 | -32.2 | 0 | 0 | 0 | 111.2 | K32 Q33 E139 | K32-P118 HydrophobicContact CB-CB 4.26Å; K32-P118 HydrophobicContact CB-CG 4.2Å; K32-P118 HydrophobicContact CD-CB 4.34Å; K32-P118 HydrophobicContact CD-CG 4.45Å; K32-P118 PolarHBondContact N-O 3.35Å; Q33-P118 HydrophobicContact CG-CG 4.09Å; P118-E139 WeakPolarHBondContact CB-OE1 3.48Å | ||
| 119 | I | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 154 | 179.6 | 62.3 | 164.7 | 0 | 0 | 0 | 111.2 | A29 I30 Y31 V41 L62 M114 E139 V140 | A29-I119 HydrophobicContact CB-CD1 4.34Å; I30-I119 CarbonylContact O-C 3.58Å; I30-I119 WeakPolarHBondContact O-CA 3.41Å; I30-I119 WeakPolarHBondContact O-CB 3.48Å; Y31-I119 HydrophobicContact CD1-CG2 3.69Å; Y31-I119 HydrophobicContact CE1-CG2 3.84Å; V41-I119 HydrophobicContact CG1-CG2 4.14Å; V41-I119 HydrophobicContact CG2-CG2 4.04Å; L62-I119 HydrophobicContact CD2-CD1 3.58Å; M114-I119 HydrophobicContact CG-CG2 4.16Å; M114-I119 HydrophobicContact SD-CD1 3.79Å; M114-I119 HydrophobicContact SD-CG1 4.09Å; M114-I119 HydrophobicContact SD-CG2 3.82Å; I119-E139 WeakPolarHBondContact O-CA 3.5Å; I119-V140 HydrophobicContact CD1-CB 4.14Å; I119-V140 HydrophobicContact CG1-CB 4.04Å; I119-V140 WeakPolarHBondContact CG1-O 3.45Å; I119-V140 PolarHBondContact O-N 3.4Å |
| 120 | L | 98.1 | Very high | 96.5 | Very high | 39 Ų | 39 | 45.3 Ų | 45.3 | 20% | 0.204 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 135.8 | 163.2 | -60.4 | 174.5 | 0 | 0 | 0 | 108.3 | A29 I30 K32 F138 E139 | A29-L120 WeakPolarHBondContact CA-O 3.39Å; I30-L120 HydrophobicContact CD1-CD1 4.37Å; I30-L120 HydrophobicContact CG1-CB 3.98Å; I30-L120 PolarHBondContact N-O 3.27Å; I30-L120 PolarHBondContact O-N 2.78Å; K32-L120 HydrophobicContact CB-CD2 4.45Å; K32-L120 HydrophobicContact CB-CG 4.05Å; K32-L120 HydrophobicContact CD-CD2 4.35Å; K32-L120 HydrophobicContact CG-CD2 4.29Å; K32-L120 HydrophobicContact CG-CG 4.26Å; L120-F138 WeakPolarHBondContact CA-O 3.3Å; L120-E139 HydrophobicContact CD2-CB 4.04Å |
| 121 | T | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 119.7 | 160.2 | -65.7 | 0 | 0 | 0 | 0 | 107.5 | A27 M28 I63 Y104 I123 S137 F138 V140 | A27-T121 HydrophobicContact CB-CG2 4.4Å; M28-T121 WeakPolarHBondContact O-CA 3.47Å; I63-T121 HydrophobicContact CD1-CG2 3.91Å; Y104-T121 WeakPolarHBondContact CE1-OG1 3.49Å; Y104-T121 PolarHBondContact OH-OG1 2.75Å; T121-I123 HydrophobicContact CG2-CD1 3.71Å; T121-I123 HydrophobicContact CG2-CG1 4.38Å; T121-S137 CarbonylContact O-C 3.53Å; T121-S137 WeakPolarHBondContact O-CA 3.44Å; T121-S137 WeakPolarHBondContact O-CB 3.07Å; T121-F138 HydrophobicContact CG2-CE1 3.78Å; T121-F138 HydrophobicContact CG2-CE2 4.41Å; T121-F138 HydrophobicContact CG2-CZ 3.65Å; T121-F138 PolarHBondContact N-O 3.36Å; T121-F138 PolarHBondContact O-N 3.31Å; T121-V140 WeakPolarHBondContact OG1-CG2 3.37Å |
| 122 | I | 97.4 | Very high | 96.2 | Very high | 22 Ų | 22 | 44.3 Ų | 44.3 | 11% | 0.113 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 127.6 | 172.9 | -58.8 | 174.9 | 0 | 0 | 0 | 107.3 | A27 M28 I30 T124 R135 | A27-I122 WeakPolarHBondContact CA-O 3.37Å; M28-I122 PolarHBondContact N-O 3.02Å; M28-I122 PolarHBondContact O-N 3.05Å; I30-I122 HydrophobicContact CD1-CD1 3.6Å; I30-I122 HydrophobicContact CD1-CG1 4.42Å; I30-I122 HydrophobicContact CG1-CD1 3.87Å; I30-I122 HydrophobicContact CG1-CG1 4.32Å; I30-I122 HydrophobicContact CG2-CD1 4.24Å; I122-T124 HydrophobicContact CG2-CG2 4.05Å; I122-R135 HydrophobicContact CG2-CG 3.77Å |
| 123 | I | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122.8 | 170.8 | -53.7 | -58.7 | 0 | 0 | 0 | 108.1 | L13 V25 R26 A27 Y102 T121 R135 N136 F138 L198 M200 | L13-I123 HydrophobicContact CD2-CG2 3.97Å; V25-I123 HydrophobicContact CG1-CG2 3.64Å; R26-I123 CarbonylContact O-C 3.59Å; R26-I123 VanDerWaalsContact O-CA 3.3Å; R26-I123 WeakPolarHBondContact O-CA 3.47Å; A27-I123 HydrophobicContact CB-CD1 3.52Å; Y102-I123 HydrophobicContact CE2-CD1 4.03Å; T121-I123 HydrophobicContact CG2-CD1 3.71Å; T121-I123 HydrophobicContact CG2-CG1 4.38Å; I123-R135 WeakPolarHBondContact O-CA 3.43Å; I123-N136 PolarHBondContact N-O 3.36Å; I123-N136 PolarHBondContact O-N 2.89Å; I123-N136 VanDerWaalsContact O-O 3.13Å; I123-F138 HydrophobicContact CD1-CE1 4.26Å; I123-F138 HydrophobicContact CG1-CE1 3.85Å; I123-L198 HydrophobicContact CB-CD1 4.2Å; I123-L198 HydrophobicContact CG1-CD1 3.6Å; I123-M200 HydrophobicContact CG2-SD 4.03Å |
| 124 | T | 97.4 | Very high | 96.1 | Very high | 15 Ų | 15 | 42.7 Ų | 42.7 | 9% | 0.092 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 141.4 | 174.6 | 47 | 0 | 0 | 0 | 0 | 110.1 | V25 R26 I122 E126 L132 G134 R135 | V25-T124 WeakPolarHBondContact CA-O 3.48Å; R26-T124 WeakPolarHBondContact CB-OG1 3.43Å; R26-T124 PolarHBondContact N-O 2.65Å; R26-T124 PolarHBondContact O-N 3.49Å; I122-T124 HydrophobicContact CG2-CG2 4.05Å; T124-E126 WeakPolarHBondContact CB-OE1 3.38Å; T124-E126 PolarHBondContact OG1-OE1 3.17Å; T124-L132 HydrophobicContact CG2-CD1 3.49Å; T124-L132 VanDerWaalsContact CG2-CD1 3.49Å; T124-G134 WeakPolarHBondContact CA-O 3.38Å; T124-R135 HydrophobicContact CG2-CB 4.22Å; T124-R135 HydrophobicContact CG2-CG 3.8Å |
| 125 | L | 97.4 | Very high | 96 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 121.2 | 169 | -168.1 | 71.8 | 0 | 0 | 0 | 106.5 | V15 P19 T23 R24 V25 Y88 L133 G134 M200 L202 | V15-L125 HydrophobicContact CG1-CD2 4.32Å; P19-L125 HydrophobicContact CB-CD2 4.24Å; P19-L125 HydrophobicContact CG-CD2 3.76Å; T23-L125 HydrophobicContact CG2-CD1 3.32Å; T23-L125 HydrophobicContact CG2-CD2 4.27Å; T23-L125 HydrophobicContact CG2-CG 3.52Å; R24-L125 WeakPolarHBondContact O-CA 3.3Å; V25-L125 HydrophobicContact CG2-CD1 3.81Å; Y88-L125 HydrophobicContact CD2-CD1 3.94Å; Y88-L125 HydrophobicContact CG-CD1 4.24Å; L125-L133 HydrophobicContact CB-CB 4.39Å; L125-L133 HydrophobicContact CD2-CB 4.3Å; L125-L133 HydrophobicContact CG-CB 4.33Å; L125-L133 HydrophobicContact CG-CD1 4.45Å; L125-L133 WeakPolarHBondContact O-CB 3.38Å; L125-L133 PolarHBondContact O-N 3.34Å; L125-G134 PolarHBondContact N-O 3.39Å; L125-G134 PolarHBondContact O-N 3.48Å; L125-M200 HydrophobicContact CB-CE 3.52Å; L125-M200 HydrophobicContact CB-SD 4.1Å; L125-L202 HydrophobicContact CD2-CD2 3.63Å; L125-L202 HydrophobicContact CD2-CG 4.27Å |
| 126 | E | 97.5 | Very high | 95.9 | Very high | 22 Ų | 22 | 48.6 Ų | 48.6 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 139 | -169.6 | -68.3 | 166.6 | -157.4 | 0 | 0 | 110 | T23 R24 R26 T124 N131 | T23-E126 CarbonylContact C-O 3.47Å; T23-E126 VanDerWaalsContact CA-O 3.25Å; T23-E126 WeakPolarHBondContact CA-O 3.46Å; T23-E126 WeakPolarHBondContact CG2-O 3.4Å; R24-E126 PolarHBondContact N-O 2.88Å; R24-E126 PolarHBondContact O-N 2.95Å; R26-E126 VanDerWaalsContact CD-OE1 3.29Å; R26-E126 WeakPolarHBondContact CD-OE1 3.38Å; R26-E126 IonicContact CZ-OE1 3.99Å; R26-E126 IonicContact CZ-OE2 3.26Å; R26-E126 VanDerWaalsContact NE-CD 3.31Å; R26-E126 IonicContact NE-OE1 3.26Å; R26-E126 PolarHBondContact NE-OE1 3.05Å; R26-E126 IonicContact NE-OE2 2.68Å; R26-E126 PolarHBondContact NE-OE2 3.11Å; R26-E126 IonicContact NH2-OE2 3.18Å; R26-E126 PolarHBondContact NH2-OE2 3.26Å; T124-E126 WeakPolarHBondContact CB-OE1 3.38Å; T124-E126 PolarHBondContact OG1-OE1 3.17Å; E126-N131 CarbonylContact C-O 3.48Å; E126-N131 VanDerWaalsContact CA-O 3.23Å; E126-N131 WeakPolarHBondContact CA-O 3.19Å |
| 127 | D | 95.6 | Very high | 95.9 | Very high | 28 Ų | 28 | 41.4 Ų | 41.4 | 15% | 0.15 | 24% | 0.239 | C | C | . | . | trans | -73.6 | 178.1 | 171.4 | 74.5 | 11.7 | 0 | 0 | 0 | 111.9 | S129 G130 N131 L133 | D127-S129 PolarHBondContact O-N 3.01Å; D127-S129 VanDerWaalsContact OD1-CA 3.28Å; D127-S129 WeakPolarHBondContact OD1-CA 3.43Å; D127-S129 WeakPolarHBondContact OD1-CB 3.33Å; D127-S129 PolarHBondContact OD1-N 2.68Å; D127-G130 PolarHBondContact O-N 3.24Å; D127-G130 PolarHBondContact OD1-N 3.15Å; D127-N131 PolarHBondContact N-O 3.01Å; D127-N131 PolarHBondContact OD1-N 2.62Å; D127-N131 PolarHBondContact OD1-ND2 2.92Å; D127-N131 WeakPolarHBondContact OD2-CB 3.36Å; D127-N131 PolarHBondContact OD2-ND2 2.98Å; D127-L133 HydrophobicContact CB-CD1 4.15Å; D127-L133 HydrophobicContact CB-CD2 4.28Å; D127-L133 HydrophobicContact CB-CG 4.29Å | ||
| 128 | S | 93.9 | Very high | 95.8 | Very high | 92 Ų | 92 | 40.7 Ų | 40.7 | 64% | 0.643 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -17.5 | 179.1 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 129 | S | 93.5 | Very high | 95.8 | Very high | 96 Ų | 96 | 42.4 Ų | 42.4 | 67% | 0.671 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -4.4 | 176 | -56.7 | 0 | 0 | 0 | 0 | 112.4 | D127 | D127-S129 PolarHBondContact O-N 3.01Å; D127-S129 VanDerWaalsContact OD1-CA 3.28Å; D127-S129 WeakPolarHBondContact OD1-CA 3.43Å; D127-S129 WeakPolarHBondContact OD1-CB 3.33Å; D127-S129 PolarHBondContact OD1-N 2.68Å |
| 130 | G | 88.5 | Confident | 95.7 | Very high | 48 Ų | 48 | 42.5 Ų | 42.5 | 50% | 0.495 | 24% | 0.243 | S | C | . | . | trans | 85.4 | 10.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D127 | D127-G130 PolarHBondContact O-N 3.24Å; D127-G130 PolarHBondContact OD1-N 3.15Å | ||
| 131 | N | 93.7 | Very high | 95.7 | Very high | 69 Ų | 69 | 45.4 Ų | 45.4 | 37% | 0.369 | 25% | 0.251 | S | S | . | . | trans | -75 | 141.8 | 175.5 | -55.6 | -58.6 | 0 | 0 | 0 | 110.7 | E126 D127 L133 | E126-N131 CarbonylContact C-O 3.48Å; E126-N131 VanDerWaalsContact CA-O 3.23Å; E126-N131 WeakPolarHBondContact CA-O 3.19Å; D127-N131 PolarHBondContact N-O 3.01Å; D127-N131 PolarHBondContact OD1-N 2.62Å; D127-N131 PolarHBondContact OD1-ND2 2.92Å; D127-N131 WeakPolarHBondContact OD2-CB 3.36Å; D127-N131 PolarHBondContact OD2-ND2 2.98Å; N131-L133 PolarHBondContact O-N 2.97Å | ||
| 132 | L | 96.1 | Very high | 95.7 | Very high | 93 Ų | 93 | 45.5 Ų | 45.5 | 49% | 0.487 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 119.3 | -179.9 | -171.9 | 69.9 | 0 | 0 | 0 | 111.1 | T124 G134 R135 | T124-L132 HydrophobicContact CG2-CD1 3.49Å; T124-L132 VanDerWaalsContact CG2-CD1 3.49Å; L132-G134 VanDerWaalsContact CD1-O 3.3Å; L132-G134 WeakPolarHBondContact CD1-O 3.38Å; L132-R135 HydrophobicContact CD1-CB 4.37Å; L132-R135 HydrophobicContact CD2-CB 4.33Å |
| 133 | L | 95.6 | Very high | 95.7 | Very high | 14 Ų | 14 | 45 Ų | 45 | 7% | 0.073 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -30.3 | 174.9 | -57.4 | 178.8 | 0 | 0 | 0 | 112.4 | P19 P20 T23 L125 D127 N131 L202 D203 | P19-L133 HydrophobicContact CB-CD1 4.48Å; P20-L133 HydrophobicContact CG-CD1 4.01Å; T23-L133 HydrophobicContact CG2-CD1 3.98Å; L125-L133 HydrophobicContact CB-CB 4.39Å; L125-L133 HydrophobicContact CD2-CB 4.3Å; L125-L133 HydrophobicContact CG-CB 4.33Å; L125-L133 HydrophobicContact CG-CD1 4.45Å; L125-L133 WeakPolarHBondContact O-CB 3.38Å; L125-L133 PolarHBondContact O-N 3.34Å; D127-L133 HydrophobicContact CB-CD1 4.15Å; D127-L133 HydrophobicContact CB-CD2 4.28Å; D127-L133 HydrophobicContact CB-CG 4.29Å; N131-L133 PolarHBondContact O-N 2.97Å; L133-L202 HydrophobicContact CB-CD2 3.69Å; L133-D203 PolarHBondContact O-N 3.47Å |
| 134 | G | 93.5 | Very high | 95.6 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 7% | 0.072 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.5 | 158.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T124 L125 L132 M200 | T124-G134 WeakPolarHBondContact CA-O 3.38Å; L125-G134 PolarHBondContact N-O 3.39Å; L125-G134 PolarHBondContact O-N 3.48Å; L132-G134 VanDerWaalsContact CD1-O 3.3Å; L132-G134 WeakPolarHBondContact CD1-O 3.38Å; G134-M200 WeakPolarHBondContact O-CE 3.35Å |
| 135 | R | 95.7 | Very high | 95.6 | Very high | 155 Ų | 155 | 50.5 Ų | 50.5 | 59% | 0.585 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 136.8 | 178.4 | -173 | 172.7 | 81.6 | 115.4 | 1.8 | 111.5 | I122 I123 T124 L132 | I122-R135 HydrophobicContact CG2-CG 3.77Å; I123-R135 WeakPolarHBondContact O-CA 3.43Å; T124-R135 HydrophobicContact CG2-CB 4.22Å; T124-R135 HydrophobicContact CG2-CG 3.8Å; L132-R135 HydrophobicContact CD1-CB 4.37Å; L132-R135 HydrophobicContact CD2-CB 4.33Å |
| 136 | N | 95.5 | Very high | 95.4 | Very high | 53 Ų | 53 | 51.8 Ų | 51.8 | 28% | 0.283 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 167.5 | 165.8 | -152.7 | -27.4 | 0 | 0 | 0 | 109.9 | I123 L198 Q199 | I123-N136 PolarHBondContact N-O 3.36Å; I123-N136 PolarHBondContact O-N 2.89Å; I123-N136 VanDerWaalsContact O-O 3.13Å; N136-L198 HydrophobicContact CB-CD2 4.43Å; N136-Q199 PolarHBondContact ND2-O 3.05Å |
| 137 | S | 95.6 | Very high | 95.2 | Very high | 49 Ų | 49 | 52.2 Ų | 52.2 | 34% | 0.343 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 152.6 | 177.5 | 65.2 | 0 | 0 | 0 | 0 | 112 | T121 | T121-S137 CarbonylContact O-C 3.53Å; T121-S137 WeakPolarHBondContact O-CA 3.44Å; T121-S137 WeakPolarHBondContact O-CB 3.07Å |
| 138 | F | 96.1 | Very high | 95.2 | Very high | 20 Ų | 20 | 57.8 Ų | 57.8 | 9% | 0.088 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 147.6 | 177.1 | 57.4 | -81.8 | 0 | 0 | 0 | 110.6 | M1 V11 L120 T121 I123 V140 L198 | M1-F138 HydrophobicContact CB-CD2 3.88Å; M1-F138 HydrophobicContact CB-CE2 4.1Å; M1-F138 HydrophobicContact CE-CD2 4.16Å; M1-F138 HydrophobicContact CE-CE2 3.47Å; M1-F138 VanDerWaalsContact CE-CE2 3.47Å; M1-F138 HydrophobicContact CE-CZ 4.01Å; M1-F138 HydrophobicContact SD-CD2 4.43Å; M1-F138 HydrophobicContact SD-CE2 3.7Å; V11-F138 HydrophobicContact CG2-CE1 4.4Å; V11-F138 HydrophobicContact CG2-CZ 3.94Å; L120-F138 WeakPolarHBondContact CA-O 3.3Å; T121-F138 HydrophobicContact CG2-CE1 3.78Å; T121-F138 HydrophobicContact CG2-CE2 4.41Å; T121-F138 HydrophobicContact CG2-CZ 3.65Å; T121-F138 PolarHBondContact N-O 3.36Å; T121-F138 PolarHBondContact O-N 3.31Å; I123-F138 HydrophobicContact CD1-CE1 4.26Å; I123-F138 HydrophobicContact CG1-CE1 3.85Å; F138-V140 HydrophobicContact CD2-CG2 3.6Å; F138-V140 HydrophobicContact CE2-CG2 3.41Å; F138-V140 VanDerWaalsContact CE2-CG2 3.41Å; F138-V140 HydrophobicContact CZ-CG2 4.43Å; F138-L198 HydrophobicContact CB-CD2 4.36Å; F138-L198 HydrophobicContact CD1-CD1 3.57Å; F138-L198 HydrophobicContact CD1-CD2 3.75Å; F138-L198 HydrophobicContact CD1-CG 4.15Å; F138-L198 HydrophobicContact CE1-CD1 3.54Å; F138-L198 HydrophobicContact CE1-CG 4.46Å; F138-L198 HydrophobicContact CG-CD2 4.4Å |
| 139 | E | 96.8 | Very high | 95.2 | Very high | 68 Ų | 68 | 54.4 Ų | 54.4 | 32% | 0.318 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 139.9 | 175.3 | -179.4 | 165.5 | -157.5 | 0 | 0 | 111 | M1 K32 P118 I119 L120 | M1-E139 PolarHBondContact N-O 3.23Å; K32-E139 HydrophobicContact CD-CG 4.44Å; K32-E139 WeakPolarHBondContact CD-OE1 3.33Å; K32-E139 IonicContact NZ-OE1 3.81Å; K32-E139 PolarHBondContact NZ-OE1 2.87Å; K32-E139 VanDerWaalsContact NZ-OE1 3.15Å; K32-E139 IonicContact NZ-OE2 2.7Å; K32-E139 PolarHBondContact NZ-OE2 3.01Å; P118-E139 WeakPolarHBondContact CB-OE1 3.48Å; I119-E139 WeakPolarHBondContact O-CA 3.5Å; L120-E139 HydrophobicContact CD2-CB 4.04Å |
| 140 | V | 97.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132.1 | 179.3 | -175 | 0 | 0 | 0 | 0 | 110.9 | M1 Y104 I119 T121 F138 V142 | M1-V140 HydrophobicContact CB-CG2 4.31Å; M1-V140 CarbonylContact O-C 3.57Å; M1-V140 WeakPolarHBondContact O-CA 3.48Å; M1-V140 HydrophobicContact SD-CG2 4.49Å; Y104-V140 HydrophobicContact CD1-CG1 3.96Å; Y104-V140 HydrophobicContact CD2-CG1 4.22Å; Y104-V140 HydrophobicContact CE1-CB 4.19Å; Y104-V140 HydrophobicContact CE1-CG1 3.75Å; Y104-V140 HydrophobicContact CE1-CG2 4Å; Y104-V140 HydrophobicContact CE2-CG1 4.03Å; Y104-V140 HydrophobicContact CG-CG1 4.2Å; Y104-V140 WeakPolarHBondContact OH-CG2 3.33Å; I119-V140 HydrophobicContact CD1-CB 4.14Å; I119-V140 HydrophobicContact CG1-CB 4.04Å; I119-V140 WeakPolarHBondContact CG1-O 3.45Å; I119-V140 PolarHBondContact O-N 3.4Å; T121-V140 WeakPolarHBondContact OG1-CG2 3.37Å; F138-V140 HydrophobicContact CD2-CG2 3.6Å; F138-V140 HydrophobicContact CE2-CG2 3.41Å; F138-V140 VanDerWaalsContact CE2-CG2 3.41Å; F138-V140 HydrophobicContact CZ-CG2 4.43Å; V140-V142 HydrophobicContact CG1-CG2 4.06Å |
| 141 | R | 97.4 | Very high | 95.5 | Very high | 101 Ų | 101 | 57.8 Ų | 57.8 | 38% | 0.381 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 111.1 | 170 | -178.1 | 163.5 | 167.6 | 149.8 | 2 | 110.4 | M1 F2 C3 C143 D149 E153 | M1-R141 PolarHBondContact O-N 3.25Å; F2-R141 WeakPolarHBondContact CA-O 3.3Å; F2-R141 HydrophobicContact CD1-CB 3.89Å; F2-R141 HydrophobicContact CD1-CG 4.07Å; F2-R141 HydrophobicContact CE1-CB 4.11Å; F2-R141 HydrophobicContact CE1-CG 4.23Å; F2-R141 HydrophobicContact CG-CB 4.5Å; C3-R141 PolarHBondContact N-O 3.46Å; R141-C143 HydrophobicContact CG-CB 4.44Å; R141-D149 IonicContact CZ-OD2 3.32Å; R141-D149 IonicContact NE-OD2 3.5Å; R141-D149 PolarHBondContact NE-OD2 2.96Å; R141-D149 IonicContact NH2-OD2 2.65Å; R141-D149 PolarHBondContact NH2-OD2 3.04Å; R141-D149 VanDerWaalsContact NH2-OD2 3.14Å; R141-E153 WeakPolarHBondContact CD-OE1 3.4Å; R141-E153 IonicContact CZ-OE1 3.54Å; R141-E153 VanDerWaalsContact CZ-OE1 3.32Å; R141-E153 IonicContact NE-OE1 3.73Å; R141-E153 PolarHBondContact NE-OE1 2.96Å; R141-E153 IonicContact NH1-OE1 3.68Å; R141-E153 PolarHBondContact NH1-OE1 2.91Å |
| 142 | V | 98.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 113.9 | 178.1 | -167.8 | 0 | 0 | 0 | 0 | 108.4 | C3 L5 Y104 C106 S108 M114 V140 | C3-V142 CarbonylContact O-C 3.49Å; C3-V142 VanDerWaalsContact O-CA 3.31Å; C3-V142 WeakPolarHBondContact O-CA 3.28Å; L5-V142 HydrophobicContact CB-CG1 4.44Å; Y104-V142 VanDerWaalsContact CB-CG2 3.49Å; Y104-V142 HydrophobicContact CD1-CG2 4.26Å; Y104-V142 HydrophobicContact CG-CG2 3.94Å; C106-V142 VanDerWaalsContact O-CB 3.3Å; C106-V142 WeakPolarHBondContact O-CB 3.4Å; C106-V142 WeakPolarHBondContact O-CG1 3.45Å; C106-V142 WeakPolarHBondContact O-CG2 3.34Å; S108-V142 PolarHBondContact N-O 3.38Å; S108-V142 PolarHBondContact OG-N 2.92Å; S108-V142 PolarHBondContact OG-O 3.26Å; M114-V142 HydrophobicContact CE-CG2 4.24Å; V140-V142 HydrophobicContact CG1-CG2 4.06Å |
| 143 | C | 97.2 | Very high | 95.4 | Very high | 11 Ų | 11 | 55.8 Ų | 55.8 | 7% | 0.074 | 28% | 0.279 | C | S | . | . | trans | -148 | 161.4 | -170 | 59.9 | 0 | 0 | 0 | 0 | 112.3 | C3 Q4 R141 C145 P146 | C3-C143 PolarHBondContact O-N 3.46Å; Q4-C143 WeakPolarHBondContact CA-O 3.31Å; R141-C143 HydrophobicContact CG-CB 4.44Å; C143-C145 PolarHBondContact O-N 3.13Å; C143-P146 VanDerWaalsContact SG-CA 3.59Å | ||
| 144 | A | 95.9 | Very high | 95.3 | Very high | 75 Ų | 75 | 60 Ų | 60 | 62% | 0.62 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -68.7 | -33 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q4 | Q4-A144 PolarHBondContact NE2-O 3.43Š|
| 145 | C | 96 | Very high | 95.4 | Very high | 57 Ų | 57 | 64.5 Ų | 64.5 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | trans | -128.3 | 70.6 | -174.5 | -58.1 | 0 | 0 | 0 | 0 | 112 | C143 G147 R148 D149 | C143-C145 PolarHBondContact O-N 3.13Å; C145-G147 VanDerWaalsContact C-N 3.34Å; C145-G147 PolarHBondContact O-N 3.27Å; C145-R148 HydrophobicContact CB-CB 4.05Å; C145-R148 PolarHBondContact O-N 3.05Å; C145-D149 PolarHBondContact O-N 2.82Å | ||
| 146 | P | 94.4 | Very high | 95.3 | Very high | 27 Ų | 27 | 60.8 Ų | 60.8 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -51.3 | -46 | -174.2 | -31.4 | 37.9 | 0 | 0 | 0 | 114.9 | F2 C3 Q4 C143 R148 D149 R150 | F2-P146 HydrophobicContact CB-CB 3.72Å; C3-P146 VanDerWaalsContact C-CG 3.49Å; Q4-P146 HydrophobicContact CG-CG 3.69Å; C143-P146 VanDerWaalsContact SG-CA 3.59Å; P146-R148 VanDerWaalsContact C-N 3.31Å; P146-R148 PolarHBondContact O-N 3.24Å; P146-D149 PolarHBondContact O-N 3Å; P146-R150 VanDerWaalsContact O-CB 3.3Å; P146-R150 WeakPolarHBondContact O-CB 3.22Å; P146-R150 PolarHBondContact O-N 2.84Å |
| 147 | G | 93 | Very high | 95 | Very high | 31 Ų | 31 | 64 Ų | 64 | 32% | 0.32 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.6 | -31.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | C145 R151 | C145-G147 VanDerWaalsContact C-N 3.34Å; C145-G147 PolarHBondContact O-N 3.27Å; G147-R151 WeakPolarHBondContact O-CG 3.47Å; G147-R151 PolarHBondContact O-N 3.2Å; G147-R151 PolarHBondContact O-NE 3.14Å |
| 148 | R | 95.8 | Very high | 94.8 | Very high | 145 Ų | 145 | 71 Ų | 71 | 55% | 0.547 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -74.8 | -50.9 | 174.7 | -176 | -169.8 | 66.1 | -176.9 | -1.6 | 110.3 | C145 P146 R150 R151 T152 | C145-R148 HydrophobicContact CB-CB 4.05Å; C145-R148 PolarHBondContact O-N 3.05Å; P146-R148 VanDerWaalsContact C-N 3.31Å; P146-R148 PolarHBondContact O-N 3.24Å; R148-R150 VanDerWaalsContact C-N 3.29Å; R148-R150 PolarHBondContact O-N 3.14Å; R148-R151 PolarHBondContact O-N 3.48Å; R148-T152 PolarHBondContact O-N 2.72Å; R148-T152 PolarHBondContact O-OG1 3.22Å |
| 149 | D | 94.5 | Very high | 94.5 | Very high | 21 Ų | 21 | 77 Ų | 77 | 11% | 0.112 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.7 | -38.3 | -177.1 | -79 | 30.9 | 0 | 0 | 0 | 111.1 | F2 R141 C145 P146 T152 E153 | F2-D149 HydrophobicContact CD1-CB 3.84Å; F2-D149 HydrophobicContact CE1-CB 3.96Å; R141-D149 IonicContact CZ-OD2 3.32Å; R141-D149 IonicContact NE-OD2 3.5Å; R141-D149 PolarHBondContact NE-OD2 2.96Å; R141-D149 IonicContact NH2-OD2 2.65Å; R141-D149 PolarHBondContact NH2-OD2 3.04Å; R141-D149 VanDerWaalsContact NH2-OD2 3.14Å; C145-D149 PolarHBondContact O-N 2.82Å; P146-D149 PolarHBondContact O-N 3Å; D149-T152 PolarHBondContact O-N 3.44Å; D149-E153 PolarHBondContact O-N 3.45Å |
| 150 | R | 93.8 | Very high | 93.7 | Very high | 67 Ų | 67 | 82.3 Ų | 82.3 | 25% | 0.253 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.9 | -53.9 | 171.4 | -179.3 | 172.5 | 68.7 | -173.6 | -0.9 | 112.1 | F2 P146 R148 T152 E153 E154 E194 | F2-R150 HydrophobicContact CD1-CB 4.42Å; F2-R150 HydrophobicContact CD2-CB 3.64Å; F2-R150 HydrophobicContact CD2-CG 3.98Å; F2-R150 HydrophobicContact CE2-CB 3.81Å; F2-R150 HydrophobicContact CE2-CG 3.93Å; F2-R150 HydrophobicContact CG-CB 3.99Å; F2-R150 HydrophobicContact CZ-CB 4.25Å; P146-R150 VanDerWaalsContact O-CB 3.3Å; P146-R150 WeakPolarHBondContact O-CB 3.22Å; P146-R150 PolarHBondContact O-N 2.84Å; R148-R150 VanDerWaalsContact C-N 3.29Å; R148-R150 PolarHBondContact O-N 3.14Å; R150-T152 VanDerWaalsContact C-N 3.28Å; R150-T152 PolarHBondContact O-N 3.23Å; R150-E153 PolarHBondContact O-N 2.64Å; R150-E154 WeakPolarHBondContact CD-OE1 3.31Å; R150-E154 HydrophobicContact CG-CG 4.31Å; R150-E154 WeakPolarHBondContact CG-OE1 3.36Å; R150-E154 WeakPolarHBondContact O-CG 3.3Å; R150-E154 PolarHBondContact O-N 2.65Å; R150-E194 IonicContact CZ-OE1 3.54Å; R150-E194 IonicContact CZ-OE2 3.66Å; R150-E194 VanDerWaalsContact NH1-CD 3.34Å; R150-E194 IonicContact NH1-OE1 3.29Å; R150-E194 PolarHBondContact NH1-OE1 3.4Å; R150-E194 IonicContact NH1-OE2 3.37Å; R150-E194 PolarHBondContact NH1-OE2 3.01Å; R150-E194 IonicContact NH2-OE1 2.85Å; R150-E194 PolarHBondContact NH2-OE1 2.95Å; R150-E194 IonicContact NH2-OE2 3.14Å; R150-E194 PolarHBondContact NH2-OE2 3.1Å |
| 151 | R | 94.6 | Very high | 92.1 | Very high | 149 Ų | 149 | 85.3 Ų | 85.3 | 56% | 0.562 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -56.5 | -44.5 | 179.1 | -76.8 | -174.4 | -67.6 | -113.5 | 2.3 | 111.4 | G147 R148 E154 E155 | G147-R151 WeakPolarHBondContact O-CG 3.47Å; G147-R151 PolarHBondContact O-N 3.2Å; G147-R151 PolarHBondContact O-NE 3.14Å; R148-R151 PolarHBondContact O-N 3.48Å; R151-E154 PolarHBondContact O-N 3.5Å; R151-E155 WeakPolarHBondContact O-CB 3.33Å; R151-E155 VanDerWaalsContact O-CG 3.29Å; R151-E155 WeakPolarHBondContact O-CG 3.43Å; R151-E155 PolarHBondContact O-N 2.9Å |
| 152 | T | 95.1 | Very high | 90 | Very high | 64 Ų | 64 | 87.6 Ų | 87.6 | 39% | 0.393 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 178.4 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | R148 D149 R150 N156 | R148-T152 PolarHBondContact O-N 2.72Å; R148-T152 PolarHBondContact O-OG1 3.22Å; D149-T152 PolarHBondContact O-N 3.44Å; R150-T152 VanDerWaalsContact C-N 3.28Å; R150-T152 PolarHBondContact O-N 3.23Å; T152-N156 WeakPolarHBondContact O-CB 3.16Å; T152-N156 PolarHBondContact O-N 3.37Å; T152-N156 PolarHBondContact O-ND2 3.37Å; T152-N156 VanDerWaalsContact O-ND2 3.1Å |
| 153 | E | 92.3 | Very high | 87.6 | Confident | 55 Ų | 55 | 93 Ų | 93 | 26% | 0.257 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 177.3 | -76.6 | -168.2 | -158.2 | 0 | 0 | 112.5 | F2 R141 D149 R150 N156 L157 | F2-E153 HydrophobicContact CE1-CG 4.2Å; F2-E153 HydrophobicContact CZ-CB 3.93Å; F2-E153 HydrophobicContact CZ-CG 3.99Å; F2-E153 VanDerWaalsContact CZ-OE2 3.28Å; F2-E153 WeakPolarHBondContact CZ-OE2 3.35Å; R141-E153 WeakPolarHBondContact CD-OE1 3.4Å; R141-E153 IonicContact CZ-OE1 3.54Å; R141-E153 VanDerWaalsContact CZ-OE1 3.32Å; R141-E153 IonicContact NE-OE1 3.73Å; R141-E153 PolarHBondContact NE-OE1 2.96Å; R141-E153 IonicContact NH1-OE1 3.68Å; R141-E153 PolarHBondContact NH1-OE1 2.91Å; D149-E153 PolarHBondContact O-N 3.45Å; R150-E153 PolarHBondContact O-N 2.64Å; E153-N156 PolarHBondContact O-N 3.39Å; E153-L157 VanDerWaalsContact O-CG 3.32Å; E153-L157 WeakPolarHBondContact O-CG 3.28Å; E153-L157 PolarHBondContact O-N 3.12Å |
| 154 | E | 92.7 | Very high | 85 | Confident | 102 Ų | 102 | 100.6 Ų | 100.6 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 175.8 | -71.9 | 172.7 | -177.1 | 0 | 0 | 111.9 | R150 R151 N156 L157 R158 | R150-E154 WeakPolarHBondContact CD-OE1 3.31Å; R150-E154 HydrophobicContact CG-CG 4.31Å; R150-E154 WeakPolarHBondContact CG-OE1 3.36Å; R150-E154 WeakPolarHBondContact O-CG 3.3Å; R150-E154 PolarHBondContact O-N 2.65Å; R151-E154 PolarHBondContact O-N 3.5Å; E154-N156 VanDerWaalsContact C-N 3.34Å; E154-N156 PolarHBondContact O-N 2.95Å; E154-L157 PolarHBondContact O-N 3.36Å; E154-R158 WeakPolarHBondContact O-CG 3.21Å; E154-R158 PolarHBondContact O-N 3.29Å |
| 155 | E | 95 | Very high | 82.6 | Confident | 103 Ų | 103 | 105.2 Ų | 105.2 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 174.6 | -76.6 | 174.1 | -166.4 | 0 | 0 | 112.3 | R151 L157 R158 K159 | R151-E155 WeakPolarHBondContact O-CB 3.33Å; R151-E155 VanDerWaalsContact O-CG 3.29Å; R151-E155 WeakPolarHBondContact O-CG 3.43Å; R151-E155 PolarHBondContact O-N 2.9Å; E155-L157 VanDerWaalsContact C-N 3.33Å; E155-L157 PolarHBondContact O-N 3.38Å; E155-R158 PolarHBondContact O-N 3.46Å; E155-K159 WeakPolarHBondContact O-CG 3.32Å; E155-K159 PolarHBondContact O-N 3.41Å |
| 156 | N | 93.9 | Very high | 80 | Confident | 77 Ų | 77 | 110.3 Ų | 110.3 | 41% | 0.412 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66 | -35.5 | 177 | -73.9 | -24.5 | 0 | 0 | 0 | 112.2 | T152 E153 E154 K160 | T152-N156 WeakPolarHBondContact O-CB 3.16Å; T152-N156 PolarHBondContact O-N 3.37Å; T152-N156 PolarHBondContact O-ND2 3.37Å; T152-N156 VanDerWaalsContact O-ND2 3.1Å; E153-N156 PolarHBondContact O-N 3.39Å; E154-N156 VanDerWaalsContact C-N 3.34Å; E154-N156 PolarHBondContact O-N 2.95Å; N156-K160 WeakPolarHBondContact O-CG 3.43Å; N156-K160 PolarHBondContact O-N 2.87Å |
| 157 | L | 90 | Very high | 77.4 | Confident | 119 Ų | 119 | 116.2 Ų | 116.2 | 62% | 0.623 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.8 | -42.2 | 174.1 | -72.1 | 169 | 0 | 0 | 0 | 111.2 | E153 E154 E155 K160 G161 | E153-L157 VanDerWaalsContact O-CG 3.32Å; E153-L157 WeakPolarHBondContact O-CG 3.28Å; E153-L157 PolarHBondContact O-N 3.12Å; E154-L157 PolarHBondContact O-N 3.36Å; E155-L157 VanDerWaalsContact C-N 3.33Å; E155-L157 PolarHBondContact O-N 3.38Å; L157-K160 PolarHBondContact O-N 2.85Å; L157-G161 PolarHBondContact O-N 2.95Å |
| 158 | R | 90.2 | Very high | 74.9 | Confident | 198 Ų | 198 | 120 Ų | 120 | 75% | 0.747 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.5 | -45.6 | 176.9 | -67.4 | 176.8 | 92 | -169.8 | 5.7 | 111.9 | E154 E155 K160 G161 E162 | E154-R158 WeakPolarHBondContact O-CG 3.21Å; E154-R158 PolarHBondContact O-N 3.29Å; E155-R158 PolarHBondContact O-N 3.46Å; R158-K160 VanDerWaalsContact C-N 3.25Å; R158-K160 PolarHBondContact O-N 3.27Å; R158-G161 PolarHBondContact O-N 3.34Å; R158-G161 VanDerWaalsContact O-N 3.08Å; R158-E162 PolarHBondContact O-N 2.92Å |
| 159 | K | 91.5 | Very high | 72.1 | Confident | 145 Ų | 145 | 119.8 Ų | 119.8 | 63% | 0.63 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.1 | -28.6 | 177.5 | -71.4 | 175.7 | -177.3 | 174.8 | 0 | 113.7 | E155 G161 | E155-K159 WeakPolarHBondContact O-CG 3.32Å; E155-K159 PolarHBondContact O-N 3.41Å; K159-G161 VanDerWaalsContact C-N 3.33Å |
| 160 | K | 79.3 | Confident | 69.4 | Low | 180 Ų | 180 | 121.7 Ų | 121.7 | 78% | 0.783 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -78.5 | -17.6 | 176.3 | -74.9 | 177.7 | 179.5 | -173.4 | 0 | 113.3 | N156 L157 R158 | N156-K160 WeakPolarHBondContact O-CG 3.43Å; N156-K160 PolarHBondContact O-N 2.87Å; L157-K160 PolarHBondContact O-N 2.85Å; R158-K160 VanDerWaalsContact C-N 3.25Å; R158-K160 PolarHBondContact O-N 3.27Å |
| 161 | G | 63.8 | Low | 66.8 | Low | 63 Ų | 63 | 124.6 Ų | 124.6 | 65% | 0.649 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -92.8 | -15 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L157 R158 K159 | L157-G161 PolarHBondContact O-N 2.95Å; R158-G161 PolarHBondContact O-N 3.34Å; R158-G161 VanDerWaalsContact O-N 3.08Å; K159-G161 VanDerWaalsContact C-N 3.33Å |
| 162 | E | 54.2 | Low | 64 | Low | 149 Ų | 149 | 124.4 Ų | 124.4 | 70% | 0.696 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -83 | 121.6 | 174.8 | -71.3 | -172.8 | 139.8 | 0 | 0 | 109.9 | R158 H164 | R158-E162 PolarHBondContact O-N 2.92Å; E162-H164 PolarHBondContact O-N 3.32Å |
| 163 | P | 45.9 | Very low | 61.4 | Low | 115 Ų | 115 | 131.2 Ų | 131.2 | 75% | 0.747 | 70% | 0.695 | S | S | * | * | trans | -62.5 | 123.8 | 169.3 | 15.9 | -12.8 | 0 | 0 | 0 | 107.4 | H165 | P163-H165 PolarHBondContact O-N 3.17Š| ||
| 164 | H | 43.8 | Very low | 58.6 | Low | 170 Ų | 170 | 140.4 Ų | 140.4 | 79% | 0.787 | 73% | 0.727 | S | S | * | * | trans | -54 | 100.7 | 176.5 | -141.1 | -96.8 | 0 | 0 | 0 | 108.3 | E162 E166 | E162-H164 PolarHBondContact O-N 3.32Å; H164-E166 PolarHBondContact O-N 3.01Å | ||
| 165 | H | 45.2 | Very low | 55.8 | Low | 173 Ų | 173 | 140.2 Ų | 140.2 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | trans | -70.5 | 93.9 | 162.2 | -116.7 | -78.6 | 0 | 0 | 0 | 105.2 | P163 L167 | P163-H165 PolarHBondContact O-N 3.17Å; H165-L167 VanDerWaalsContact C-N 3.31Å; H165-L167 PolarHBondContact O-N 3.49Å | ||
| 166 | E | 40.2 | Very low | 53.1 | Low | 163 Ų | 163 | 143.3 Ų | 143.3 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | trans | -58.2 | 101.6 | 162.6 | -66.4 | -154.4 | 155.8 | 0 | 0 | 107.4 | H164 | H164-E166 PolarHBondContact O-N 3.01Š| ||
| 167 | L | 40.8 | Very low | 50.6 | Low | 152 Ų | 152 | 144.2 Ų | 144.2 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | -65.6 | 128.3 | 163.4 | -76.3 | 158.9 | 0 | 0 | 0 | 106.8 | H165 | H165-L167 VanDerWaalsContact C-N 3.31Å; H165-L167 PolarHBondContact O-N 3.49Å | ||
| 168 | P | 39.6 | Very low | 47.8 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | trans | -62.5 | 145.8 | -175.8 | 23.7 | -32 | 0 | 0 | 0 | 111.1 | G170 | P168-G170 PolarHBondContact O-N 3.25Š| ||
| 169 | P | 38.5 | Very low | 45.2 | Very low | 141 Ų | 141 | 143 Ų | 143 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -74.8 | 94.4 | -179 | 31.2 | -31.4 | 0 | 0 | 0 | 108.8 | ||
| 170 | G | 36.4 | Very low | 42.3 | Very low | 61 Ų | 61 | 143.4 Ų | 143.4 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | trans | 172.6 | 85.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | P168 | P168-G170 PolarHBondContact O-N 3.25Š| ||
| 171 | S | 39.8 | Very low | 40.1 | Very low | 127 Ų | 127 | 140 Ų | 140 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -170.3 | 92.7 | 149.7 | -79.8 | 0 | 0 | 0 | 0 | 110.6 | K173 | S171-K173 PolarHBondContact O-N 3.45Š| ||
| 172 | T | 35.7 | Very low | 38.6 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | trans | -75.3 | 108.6 | 169.3 | -52.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 173 | K | 40.5 | Very low | 37.6 | Very low | 206 Ų | 206 | 140.4 Ų | 140.4 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | trans | -177 | 135.8 | 135.1 | -128.3 | 166.8 | 172.4 | 174.6 | 0 | 113.5 | S171 | S171-K173 PolarHBondContact O-N 3.45Š| ||
| 174 | R | 33.3 | Very low | 36.9 | Very low | 249 Ų | 249 | 140.3 Ų | 140.3 | 94% | 0.94 | 80% | 0.803 | S | S | * | * | trans | -65.6 | 141.3 | 176.5 | -61.1 | 170.5 | -167.7 | 169.5 | 4.3 | 112.6 | ||||
| 175 | A | 33.8 | Very low | 36.4 | Very low | 98 Ų | 98 | 140 Ų | 140 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | -169.1 | 132.8 | 126.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 176 | L | 38.7 | Very low | 36 | Very low | 167 Ų | 167 | 138 Ų | 138 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -114.3 | 168.9 | 159.9 | -106.5 | 88.5 | 0 | 0 | 0 | 106.5 | ||||
| 177 | P | 42.3 | Very low | 35.5 | Very low | 97 Ų | 97 | 139 Ų | 139 | 63% | 0.63 | 81% | 0.806 | S | S | * | * | cis | -135.7 | 168.3 | -33.3 | 35.4 | -18.1 | 0 | 0 | 0 | 112 | ||||
| 178 | N | 30.4 | Very low | 35.2 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | trans | 153.9 | 106.1 | 137.3 | -86.9 | -10.9 | 0 | 0 | 0 | 112.5 | ||||
| 179 | N | 35.1 | Very low | 34.9 | Very low | 149 Ų | 149 | 145.1 Ų | 145.1 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | -173.9 | 102.6 | 150.8 | 21.9 | 14.2 | 0 | 0 | 0 | 110.8 | S181 | N179-S181 PolarHBondContact O-N 3.31Š| ||
| 180 | T | 31.3 | Very low | 34.7 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | trans | 17 | 96.9 | 136.1 | -29.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 181 | S | 33.9 | Very low | 34.7 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -121.5 | 117.2 | 160.6 | 79.5 | 0 | 0 | 0 | 0 | 110.4 | N179 S183 | N179-S181 PolarHBondContact O-N 3.31Å; S181-S183 PolarHBondContact O-N 3.08Å; S181-S183 VanDerWaalsContact O-N 3.09Å | ||
| 182 | S | 30.5 | Very low | 34.4 | Very low | 118 Ų | 118 | 150.1 Ų | 150.1 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -62.8 | 98.2 | 169.5 | 48.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 183 | S | 33.9 | Very low | 34.9 | Very low | 102 Ų | 102 | 145.2 Ų | 145.2 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | -76.9 | 124.7 | 162.8 | -173.9 | 0 | 0 | 0 | 0 | 108.6 | S181 Q185 | S181-S183 PolarHBondContact O-N 3.08Å; S181-S183 VanDerWaalsContact O-N 3.09Å; S183-Q185 PolarHBondContact O-N 3.25Å; S183-Q185 VanDerWaalsContact O-N 3.09Å | ||
| 184 | P | 32.3 | Very low | 35.7 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -65 | 112.1 | 170.8 | -11.5 | 25.7 | 0 | 0 | 0 | 108.3 | P186 | P184-P186 VanDerWaalsContact O-CD 3.29Å; P184-P186 WeakPolarHBondContact O-CD 3.36Å | ||
| 185 | Q | 32.2 | Very low | 36.8 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 77% | 0.771 | 75% | 0.752 | S | S | * | * | trans | -57 | 123.4 | 166.2 | -76.7 | -169.6 | -29.3 | 0 | 0 | 108.9 | S183 K187 | S183-Q185 PolarHBondContact O-N 3.25Å; S183-Q185 VanDerWaalsContact O-N 3.09Å; Q185-K187 VanDerWaalsContact C-N 3.27Å; Q185-K187 PolarHBondContact O-N 3.04Å | ||
| 186 | P | 37.3 | Very low | 38.1 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 84% | 0.844 | 73% | 0.726 | S | S | * | * | trans | -71.8 | 92.6 | 163.8 | -5 | 21.6 | 0 | 0 | 0 | 107.5 | P184 K188 | P184-P186 VanDerWaalsContact O-CD 3.29Å; P184-P186 WeakPolarHBondContact O-CD 3.36Å; P186-K188 VanDerWaalsContact C-N 3.31Å; P186-K188 PolarHBondContact O-N 3.03Å | ||
| 187 | K | 30.3 | Very low | 39 | Very low | 185 Ų | 185 | 128.6 Ų | 128.6 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | -65.4 | 92.7 | 159.8 | -83.5 | -177 | 176.6 | 175.8 | 0 | 108.2 | Q185 | Q185-K187 VanDerWaalsContact C-N 3.27Å; Q185-K187 PolarHBondContact O-N 3.04Å | ||
| 188 | K | 34.7 | Very low | 39.8 | Very low | 195 Ų | 195 | 124.5 Ų | 124.5 | 85% | 0.848 | 68% | 0.681 | S | S | * | * | trans | -144.9 | 111.9 | 139.7 | -71 | -163 | 178.6 | 177.8 | 0 | 107.8 | P186 | P186-K188 VanDerWaalsContact C-N 3.31Å; P186-K188 PolarHBondContact O-N 3.03Å | ||
| 189 | K | 31.8 | Very low | 41.2 | Very low | 194 Ų | 194 | 123 Ų | 123 | 84% | 0.843 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -54 | 136.4 | 155 | -71.7 | 179.7 | 176.5 | -178.2 | 0 | 106 | L191 | K189-L191 PolarHBondContact O-N 3.31Å; K189-L191 VanDerWaalsContact O-N 3.12Å |
| 190 | P | 35.1 | Very low | 42.6 | Very low | 102 Ų | 102 | 116 Ų | 116 | 66% | 0.662 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 125 | 166.8 | -4.9 | 18.3 | 0 | 0 | 0 | 105.9 | D192 | P190-D192 PolarHBondContact O-N 3.15Š|
| 191 | L | 36.4 | Very low | 44 | Very low | 155 Ų | 155 | 114.5 Ų | 114.5 | 81% | 0.812 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 133.6 | 167 | -83.1 | 144.5 | 0 | 0 | 0 | 106.9 | K189 G193 | K189-L191 PolarHBondContact O-N 3.31Å; K189-L191 VanDerWaalsContact O-N 3.12Å; L191-G193 PolarHBondContact O-N 3.17Å; L191-G193 VanDerWaalsContact O-N 3.14Å |
| 192 | D | 33.5 | Very low | 45 | Very low | 177 Ų | 177 | 110.4 Ų | 110.4 | 95% | 0.947 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -51.3 | 119.3 | 172.7 | -115 | -27.8 | 0 | 0 | 0 | 108.4 | P190 | P190-D192 PolarHBondContact O-N 3.15Š|
| 193 | G | 45.5 | Very low | 46 | Very low | 43 Ų | 43 | 108.3 Ų | 108.3 | 44% | 0.443 | 57% | 0.567 | S | S | . | * | trans | 89.2 | 72 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | L191 Y195 | L191-G193 PolarHBondContact O-N 3.17Å; L191-G193 VanDerWaalsContact O-N 3.14Å; G193-Y195 WeakPolarHBondContact O-CD2 3.36Å; G193-Y195 WeakPolarHBondContact O-CE2 3.34Å; G193-Y195 PolarHBondContact O-N 3Å; G193-Y195 VanDerWaalsContact O-N 3.17Å | ||
| 194 | E | 57.2 | Low | 46 | Very low | 99 Ų | 99 | 108.7 Ų | 108.7 | 46% | 0.463 | 56% | 0.56 | S | S | . | * | trans | -70.4 | 106.3 | 160.6 | -80.8 | -176.8 | 170.6 | 0 | 0 | 109.1 | R150 | R150-E194 IonicContact CZ-OE1 3.54Å; R150-E194 IonicContact CZ-OE2 3.66Å; R150-E194 VanDerWaalsContact NH1-CD 3.34Å; R150-E194 IonicContact NH1-OE1 3.29Å; R150-E194 PolarHBondContact NH1-OE1 3.4Å; R150-E194 IonicContact NH1-OE2 3.37Å; R150-E194 PolarHBondContact NH1-OE2 3.01Å; R150-E194 IonicContact NH2-OE1 2.85Å; R150-E194 PolarHBondContact NH2-OE1 2.95Å; R150-E194 IonicContact NH2-OE2 3.14Å; R150-E194 PolarHBondContact NH2-OE2 3.1Å | ||
| 195 | Y | 57.1 | Low | 46 | Very low | 129 Ų | 129 | 112.7 Ų | 112.7 | 51% | 0.506 | 56% | 0.561 | S | S | . | * | trans | -72.1 | 138.4 | 172.2 | -65.3 | -93.2 | 0 | 0 | 0 | 110.4 | P10 Q12 T99 G193 | P10-Y195 HydrophobicContact CB-CD1 3.66Å; P10-Y195 HydrophobicContact CB-CE1 3.92Å; P10-Y195 HydrophobicContact CG-CD1 3.95Å; P10-Y195 HydrophobicContact CG-CE1 4.28Å; P10-Y195 HydrophobicContact CG-CG 4.48Å; Q12-Y195 HydrophobicContact CG-CD1 3.97Å; Q12-Y195 HydrophobicContact CG-CG 4.39Å; T99-Y195 HydrophobicContact CG2-CD1 4.5Å; T99-Y195 HydrophobicContact CG2-CE1 4.44Å; G193-Y195 WeakPolarHBondContact O-CD2 3.36Å; G193-Y195 WeakPolarHBondContact O-CE2 3.34Å; G193-Y195 PolarHBondContact O-N 3Å; G193-Y195 VanDerWaalsContact O-N 3.17Å | ||
| 196 | F | 61 | Low | 45.9 | Very low | 60 Ų | 60 | 112.5 Ų | 112.5 | 26% | 0.263 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.8 | 110.8 | 164.3 | -95.1 | -91.8 | 0 | 0 | 0 | 109.2 | M1 P10 V11 Q12 | M1-F196 VanDerWaalsContact CA-CE1 3.49Å; M1-F196 HydrophobicContact CB-CD1 3.96Å; M1-F196 HydrophobicContact CB-CD2 4.01Å; M1-F196 HydrophobicContact CB-CE1 3.67Å; M1-F196 HydrophobicContact CB-CE2 3.7Å; M1-F196 HydrophobicContact CB-CG 4.16Å; M1-F196 HydrophobicContact CB-CZ 3.57Å; M1-F196 HydrophobicContact CE-CB 3.36Å; M1-F196 HydrophobicContact CE-CD1 4.04Å; M1-F196 HydrophobicContact CE-CD2 3.37Å; M1-F196 HydrophobicContact CE-CE2 4.24Å; M1-F196 HydrophobicContact CE-CG 3.27Å; M1-F196 HydrophobicContact CG-CD1 4.5Å; M1-F196 HydrophobicContact CG-CD2 3.68Å; M1-F196 HydrophobicContact CG-CE1 4.4Å; M1-F196 HydrophobicContact CG-CE2 3.54Å; M1-F196 HydrophobicContact CG-CG 4.19Å; M1-F196 HydrophobicContact CG-CZ 3.97Å; M1-F196 HydrophobicContact SD-CD2 4.31Å; P10-F196 PolarHBondContact O-N 3.19Å; V11-F196 WeakPolarHBondContact CA-O 3.36Å; V11-F196 HydrophobicContact CG2-CB 4.46Å; Q12-F196 PolarHBondContact N-O 3.41Å |
| 197 | T | 57.9 | Low | 45.6 | Very low | 84 Ų | 84 | 109.2 Ų | 109.2 | 52% | 0.515 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 125.4 | -178.8 | -53.4 | 0 | 0 | 0 | 0 | 111.1 | Q12 W14 | Q12-T197 PolarHBondContact OE1-OG1 2.62Å; W14-T197 HydrophobicContact CG-CG2 4.44Å; W14-T197 VanDerWaalsContact NE1-CG2 3.32Å |
| 198 | L | 57.9 | Low | 45.5 | Very low | 11 Ų | 11 | 109 Ų | 109 | 6% | 0.058 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.4 | 170.1 | -64.6 | 173.4 | 0 | 0 | 0 | 109.9 | V11 Q12 W14 I123 N136 F138 | V11-L198 HydrophobicContact CG1-CD1 3.39Å; V11-L198 HydrophobicContact CG1-CG 3.98Å; Q12-L198 PolarHBondContact O-N 2.91Å; Q12-L198 VanDerWaalsContact O-O 3.04Å; W14-L198 PolarHBondContact N-O 3.26Å; I123-L198 HydrophobicContact CB-CD1 4.2Å; I123-L198 HydrophobicContact CG1-CD1 3.6Å; N136-L198 HydrophobicContact CB-CD2 4.43Å; F138-L198 HydrophobicContact CB-CD2 4.36Å; F138-L198 HydrophobicContact CD1-CD1 3.57Å; F138-L198 HydrophobicContact CD1-CD2 3.75Å; F138-L198 HydrophobicContact CD1-CG 4.15Å; F138-L198 HydrophobicContact CE1-CD1 3.54Å; F138-L198 HydrophobicContact CE1-CG 4.46Å; F138-L198 HydrophobicContact CG-CD2 4.4Å |
| 199 | Q | 60.6 | Low | 45.1 | Very low | 112 Ų | 112 | 106.8 Ų | 106.8 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 122 | 169.6 | -164.9 | 170.7 | -1.6 | 0 | 0 | 109.8 | W14 N136 | W14-Q199 HydrophobicContact CB-CG 4.3Å; N136-Q199 PolarHBondContact ND2-O 3.05Å |
| 200 | M | 64.9 | Low | 45 | Very low | 1 Ų | 1 | 103.2 Ų | 103.2 | 1% | 0.005 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 98.5 | 175.9 | -64.2 | -151.4 | 61.3 | 0 | 0 | 108.6 | L13 W14 I123 L125 G134 L202 | L13-M200 HydrophobicContact CD2-SD 4.13Å; W14-M200 WeakPolarHBondContact O-CA 3.39Å; W14-M200 WeakPolarHBondContact O-CB 3.29Å; W14-M200 PolarHBondContact O-N 2.85Å; I123-M200 HydrophobicContact CG2-SD 4.03Å; L125-M200 HydrophobicContact CB-CE 3.52Å; L125-M200 HydrophobicContact CB-SD 4.1Å; G134-M200 WeakPolarHBondContact O-CE 3.35Å; M200-L202 PolarHBondContact O-N 3.04Å |
| 201 | L | 60 | Low | 45 | Very low | 122 Ų | 122 | 104.3 Ų | 104.3 | 64% | 0.639 | 51% | 0.507 | S | S | * | . | trans | -67.7 | 115.8 | 168.8 | -77.4 | 136.9 | 0 | 0 | 0 | 108.2 | D16 D203 | D16-L201 WeakPolarHBondContact OD2-CD2 3.4Å; L201-D203 PolarHBondContact O-N 3.29Å | ||
| 202 | L | 55.6 | Low | 44.6 | Very low | 22 Ų | 22 | 103.2 Ų | 103.2 | 12% | 0.115 | 50% | 0.502 | C | S | . | . | trans | -76.1 | 102.8 | 170.1 | -81.1 | 157.2 | 0 | 0 | 0 | 107.7 | V15 S17 P19 L125 L133 M200 L204 | V15-L202 HydrophobicContact CB-CD1 3.98Å; V15-L202 HydrophobicContact CG1-CD1 4.34Å; S17-L202 WeakPolarHBondContact O-CD1 3.35Å; S17-L202 WeakPolarHBondContact OG-CD1 3.42Å; P19-L202 HydrophobicContact CG-CD1 4.19Å; L125-L202 HydrophobicContact CD2-CD2 3.63Å; L125-L202 HydrophobicContact CD2-CG 4.27Å; L133-L202 HydrophobicContact CB-CD2 3.69Å; M200-L202 PolarHBondContact O-N 3.04Å; L202-L204 VanDerWaalsContact C-N 3.28Å; L202-L204 PolarHBondContact O-N 2.84Å | ||
| 203 | D | 50.1 | Low | 44.4 | Very low | 75 Ų | 75 | 99.8 Ų | 99.8 | 40% | 0.401 | 49% | 0.492 | S | S | . | . | trans | -80.2 | 83.5 | 174.4 | -167.3 | 2.6 | 0 | 0 | 0 | 109.2 | L133 L201 R205 W206 | L133-D203 PolarHBondContact O-N 3.47Å; L201-D203 PolarHBondContact O-N 3.29Å; D203-R205 PolarHBondContact O-N 3.4Å; D203-R205 VanDerWaalsContact OD1-CB 3.28Å; D203-R205 WeakPolarHBondContact OD1-CB 3.29Å; D203-R205 PolarHBondContact OD1-N 2.89Å; D203-W206 PolarHBondContact O-N 3.19Å; D203-W206 PolarHBondContact OD2-NE1 3.09Å | ||
| 204 | L | 35.5 | Very low | 43.7 | Very low | 110 Ų | 110 | 106.8 Ų | 106.8 | 58% | 0.576 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -10.7 | 175.4 | -70.6 | 170.5 | 0 | 0 | 0 | 113 | L202 W206 | L202-L204 VanDerWaalsContact C-N 3.28Å; L202-L204 PolarHBondContact O-N 2.84Å; L204-W206 VanDerWaalsContact C-N 3.33Å |
| 205 | R | 32.6 | Very low | 43 | Very low | 196 Ų | 196 | 107.2 Ų | 107.2 | 74% | 0.74 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -24.8 | 177.7 | -65.9 | -178.3 | 175.7 | -170 | -0.9 | 113 | D203 Y208 | D203-R205 PolarHBondContact O-N 3.4Å; D203-R205 VanDerWaalsContact OD1-CB 3.28Å; D203-R205 WeakPolarHBondContact OD1-CB 3.29Å; D203-R205 PolarHBondContact OD1-N 2.89Å; R205-Y208 PolarHBondContact O-N 3.09Å |
| 206 | W | 28.5 | Very low | 42.3 | Very low | 160 Ų | 160 | 106.1 Ų | 106.1 | 61% | 0.606 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -74.8 | -26.3 | 178.6 | -71.4 | 89.9 | 0 | 0 | 0 | 113.5 | D203 L204 Y208 F209 L210 | D203-W206 PolarHBondContact O-N 3.19Å; D203-W206 PolarHBondContact OD2-NE1 3.09Å; L204-W206 VanDerWaalsContact C-N 3.33Å; W206-Y208 PolarHBondContact O-N 2.91Å; W206-F209 PolarHBondContact O-N 2.96Å; W206-L210 PolarHBondContact O-N 2.95Å |
| 207 | C | 31.2 | Very low | 41.3 | Very low | 61 Ų | 61 | 108.6 Ų | 108.6 | 41% | 0.412 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.5 | -23.6 | 176.1 | -68.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 208 | Y | 28.2 | Very low | 40.3 | Very low | 181 Ų | 181 | 110.1 Ų | 110.1 | 71% | 0.71 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -89.2 | -24.4 | 176.7 | -81.9 | -80.8 | 0 | 0 | 0 | 114 | R205 W206 | R205-Y208 PolarHBondContact O-N 3.09Å; W206-Y208 PolarHBondContact O-N 2.91Å |
| 209 | F | 27.6 | Very low | 39.2 | Very low | 148 Ų | 148 | 116.3 Ų | 116.3 | 65% | 0.649 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -81.7 | -28.1 | -178.5 | -90.2 | -83.9 | 0 | 0 | 0 | 113.4 | W206 I211 N212 | W206-F209 PolarHBondContact O-N 2.96Å; F209-I211 VanDerWaalsContact C-N 3.3Å; F209-I211 PolarHBondContact O-N 3.38Å; F209-N212 PolarHBondContact O-N 3.48Å |
| 210 | L | 29.5 | Very low | 37.8 | Very low | 120 Ų | 120 | 116.5 Ų | 116.5 | 63% | 0.628 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -8.7 | 176.5 | -76.2 | 167.1 | 0 | 0 | 0 | 114.4 | W206 | W206-L210 PolarHBondContact O-N 2.95Š|
| 211 | I | 34.7 | Very low | 35.8 | Very low | 125 Ų | 125 | 124.8 Ų | 124.8 | 64% | 0.641 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -12.4 | 174.5 | -63 | 173.3 | 0 | 0 | 0 | 111.9 | F209 | F209-I211 VanDerWaalsContact C-N 3.3Å; F209-I211 PolarHBondContact O-N 3.38Å |
| 212 | N | 28.1 | Very low | 34 | Very low | 131 Ų | 131 | 125 Ų | 125 | 70% | 0.701 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -121.7 | 27.2 | -174.4 | -73.1 | -65.6 | 0 | 0 | 0 | 114.7 | F209 | F209-N212 PolarHBondContact O-N 3.48Š|
| 213 | S | 28.7 | Very low | 32.2 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 74% | 0.741 | 68% | 0.678 | S | S | * | * | trans | -133.9 | 76.1 | 167.8 | -64.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 214 | S | 31.5 | Very low | 30.5 | Very low | 190 Ų | 190 | 138.9 Ų | 138.9 | 100% | 1.329 | 70% | 0.703 | S | S | * | * | trans | -97.4 | 0 | 161 | -53.9 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 214 of 214 residues in 158.9 ms
(Link to these results)