| 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 | 97.5 | Very high | 98.1 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 10% | 0.099 | 24% | 0.24 | C | C | . | . | 0 | 130.5 | 0 | 178.4 | -177.2 | -75.8 | 0 | 0 | 110.3 | C9 V11 Y104 F138 E139 V140 R141 F196 | M1-C9 HydrophobicContact CE-CB 4.16Å; M1-C9 HydrophobicContact SD-CB 3.85Å; M1-V11 HydrophobicContact CE-CG2 3.71Å; M1-Y104 HydrophobicContact SD-CE2 3.88Å; M1-F138 HydrophobicContact CB-CD2 3.85Å; M1-F138 HydrophobicContact CB-CE2 4.1Å; M1-F138 HydrophobicContact CE-CD2 4.31Å; M1-F138 HydrophobicContact CE-CE2 3.61Å; M1-F138 HydrophobicContact CE-CZ 3.99Å; M1-F138 HydrophobicContact SD-CD2 4.46Å; M1-F138 HydrophobicContact SD-CE2 3.75Å; M1-E139 PolarHBondContact N-O 2.95Å; M1-V140 HydrophobicContact CB-CG2 4.34Å; M1-V140 WeakPolarHBondContact O-CA 3.25Å; M1-V140 HydrophobicContact SD-CG2 4.49Å; M1-R141 PolarHBondContact O-N 3.45Å; M1-F196 HydrophobicContact CB-CD1 4.27Å; M1-F196 HydrophobicContact CB-CD2 4.35Å; M1-F196 HydrophobicContact CB-CE1 3.82Å; M1-F196 HydrophobicContact CB-CE2 3.89Å; M1-F196 HydrophobicContact CB-CZ 3.63Å; M1-F196 HydrophobicContact CE-CB 4.14Å; M1-F196 HydrophobicContact CE-CD2 3.28Å; M1-F196 HydrophobicContact CE-CE2 3.8Å; M1-F196 HydrophobicContact CE-CG 3.7Å; M1-F196 HydrophobicContact CG-CD2 4.12Å; M1-F196 HydrophobicContact CG-CE1 4.46Å; M1-F196 HydrophobicContact CG-CE2 3.61Å; M1-F196 HydrophobicContact CG-CZ 3.83Å | |||
| 2 | F | 98.5 | Very high | 98.1 | Very high | 48 Ų | 48 | 43 Ų | 43 | 21% | 0.211 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 124.7 | 170.5 | -66.3 | -105.9 | 0 | 0 | 0 | 107.8 | R141 P146 D149 R150 E153 | F2-R141 WeakPolarHBondContact CA-O 3.3Å; F2-R141 HydrophobicContact CD1-CB 3.88Å; F2-R141 HydrophobicContact CD1-CG 4.23Å; F2-R141 HydrophobicContact CE1-CB 4.07Å; F2-R141 VanDerWaalsContact CE1-CD 3.41Å; F2-R141 HydrophobicContact CE1-CG 4.36Å; F2-R141 HydrophobicContact CG-CB 4.48Å; F2-P146 HydrophobicContact CB-CB 3.75Å; F2-D149 HydrophobicContact CD1-CB 4.02Å; F2-D149 HydrophobicContact CE1-CB 4.15Å; F2-R150 HydrophobicContact CB-CB 4.46Å; F2-R150 HydrophobicContact CD1-CB 4.13Å; F2-R150 HydrophobicContact CD2-CB 3.63Å; F2-R150 HydrophobicContact CD2-CG 3.83Å; F2-R150 HydrophobicContact CE1-CB 4.28Å; F2-R150 HydrophobicContact CE2-CB 3.81Å; F2-R150 HydrophobicContact CE2-CG 3.79Å; F2-R150 HydrophobicContact CG-CB 3.83Å; F2-R150 HydrophobicContact CZ-CB 4.15Å; F2-R150 HydrophobicContact CZ-CG 4.44Å; F2-E153 HydrophobicContact CE1-CG 4.28Å; F2-E153 HydrophobicContact CZ-CB 4.02Å; F2-E153 HydrophobicContact CZ-CG 4.21Å; F2-E153 VanDerWaalsContact CZ-OE2 3.31Å; F2-E153 WeakPolarHBondContact CZ-OE2 3.35Å |
| 3 | C | 98.5 | Very high | 98.1 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 162.1 | -176 | 58.9 | 0 | 0 | 0 | 0 | 112 | C9 R141 V142 C143 P146 | C3-C9 WeakPolarHBondContact CB-SG 3.28Å; C3-R141 PolarHBondContact N-O 3.01Å; C3-V142 CarbonylContact O-C 3.51Å; C3-V142 VanDerWaalsContact O-CA 3.3Å; C3-V142 WeakPolarHBondContact O-CA 3.39Å; C3-C143 PolarHBondContact O-N 2.71Å; C3-P146 VanDerWaalsContact C-CG 3.44Å |
| 4 | Q | 98.5 | Very high | 98 | Very high | 89 Ų | 89 | 43.4 Ų | 43.4 | 42% | 0.416 | 22% | 0.223 | S | C | . | . | trans | -89.6 | 156 | 172.4 | -72.7 | -178 | -38.3 | 0 | 0 | 110.5 | A6 K7 C143 A144 P146 | Q4-A6 PolarHBondContact O-N 3.33Å; Q4-K7 HydrophobicContact CB-CB 4.2Å; Q4-K7 HydrophobicContact CB-CG 3.58Å; Q4-K7 PolarHBondContact O-N 3.07Å; Q4-C143 WeakPolarHBondContact CA-O 3.22Å; Q4-A144 PolarHBondContact NE2-O 2.88Å; Q4-P146 HydrophobicContact CG-CG 3.65Å | ||
| 5 | L | 98 | Very high | 97.9 | Very high | 57 Ų | 57 | 43.2 Ų | 43.2 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 127.5 | 174.7 | 179.1 | 64.2 | 0 | 0 | 0 | 111.3 | K7 M105 C106 V142 | L5-K7 PolarHBondContact O-N 3.39Å; L5-M105 VanDerWaalsContact CD1-C 3.43Å; L5-C106 VanDerWaalsContact CD1-N 3.32Å; L5-V142 HydrophobicContact CB-CG1 4.5Å |
| 6 | A | 97.3 | Very high | 97.7 | Very high | 48 Ų | 48 | 48.3 Ų | 48.3 | 40% | 0.397 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 24 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | Q4 Y104 M105 | Q4-A6 PolarHBondContact O-N 3.33Å; A6-Y104 PolarHBondContact N-O 2.92Å; A6-M105 HydrophobicContact CB-CE 3.69Å; A6-M105 HydrophobicContact CB-SD 3.91Å |
| 7 | K | 97.9 | Very high | 97.5 | Very high | 119 Ų | 119 | 48.4 Ų | 48.4 | 52% | 0.517 | 26% | 0.258 | S | S | . | . | trans | -93.3 | 151.8 | 171.8 | -64.6 | -53.7 | -173.8 | 179.6 | 0 | 111.1 | Q4 L5 C9 N103 | Q4-K7 HydrophobicContact CB-CB 4.2Å; Q4-K7 HydrophobicContact CB-CG 3.58Å; Q4-K7 PolarHBondContact O-N 3.07Å; L5-K7 PolarHBondContact O-N 3.39Å; K7-C9 PolarHBondContact O-N 3.21Å; K7-C9 PolarHBondContact O-SG 3.37Å; K7-C9 VanDerWaalsContact O-SG 3.33Å; K7-N103 PolarHBondContact O-ND2 2.69Å | ||
| 8 | T | 98.2 | Very high | 97.4 | Very high | 70 Ų | 70 | 51.5 Ų | 51.5 | 43% | 0.429 | 28% | 0.279 | S | S | . | . | trans | -55.5 | 126.5 | 174.1 | -52.6 | 0 | 0 | 0 | 0 | 110.9 | E66 H101 N103 | T8-E66 VanDerWaalsContact CB-OE1 3.31Å; T8-E66 WeakPolarHBondContact CB-OE1 3.42Å; T8-E66 WeakPolarHBondContact CG2-OE1 3.27Å; T8-E66 VanDerWaalsContact OG1-CD 3.22Å; T8-E66 PolarHBondContact OG1-OE1 3.13Å; T8-E66 PolarHBondContact OG1-OE2 3.06Å; T8-H101 HydrophobicContact CG2-CB 4.02Å; T8-N103 PolarHBondContact N-ND2 3.42Å | ||
| 9 | C | 98.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.027 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 92.5 | 175.4 | -60.4 | 0 | 0 | 0 | 0 | 108.1 | M1 C3 K7 V11 Y102 Y104 | M1-C9 HydrophobicContact CE-CB 4.16Å; M1-C9 HydrophobicContact SD-CB 3.85Å; C3-C9 WeakPolarHBondContact CB-SG 3.28Å; K7-C9 PolarHBondContact O-N 3.21Å; K7-C9 PolarHBondContact O-SG 3.37Å; K7-C9 VanDerWaalsContact O-SG 3.33Å; C9-V11 PolarHBondContact O-N 3.44Å; C9-Y102 VanDerWaalsContact CB-O 3.3Å; C9-Y102 WeakPolarHBondContact CB-O 3.31Å; C9-Y102 PolarHBondContact N-O 2.81Å; C9-Y102 PolarHBondContact O-N 2.98Å; C9-Y104 HydrophobicContact CB-CD2 4.49Å; C9-Y104 HydrophobicContact CB-CE2 4.21Å |
| 10 | P | 98 | Very high | 97.3 | Very high | 27 Ų | 27 | 50 Ų | 50 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 127.9 | 178.9 | 28.6 | -32.3 | 0 | 0 | 0 | 110.3 | T99 Y195 | P10-T99 HydrophobicContact CB-CG2 3.76Å; P10-Y195 HydrophobicContact CB-CD1 4.17Å; P10-Y195 HydrophobicContact CB-CE1 4.47Å; P10-Y195 HydrophobicContact CG-CD1 4.28Å |
| 11 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 121.6 | 174.5 | 176.2 | 0 | 0 | 0 | 0 | 108 | M1 C9 T99 I100 Y102 F138 L198 | M1-V11 HydrophobicContact CE-CG2 3.71Å; C9-V11 PolarHBondContact O-N 3.44Å; V11-T99 WeakPolarHBondContact O-CA 3.45Å; V11-I100 PolarHBondContact N-O 3.34Å; V11-I100 PolarHBondContact O-N 3.21Å; V11-Y102 HydrophobicContact CB-CD2 3.92Å; V11-Y102 HydrophobicContact CB-CE2 3.85Å; V11-Y102 HydrophobicContact CG1-CE2 4.35Å; V11-Y102 HydrophobicContact CG2-CD2 3.61Å; V11-Y102 HydrophobicContact CG2-CE2 3.97Å; V11-F138 HydrophobicContact CG1-CE1 4.32Å; V11-F138 HydrophobicContact CG2-CE1 4.27Å; V11-F138 HydrophobicContact CG2-CZ 3.86Å; V11-L198 HydrophobicContact CG1-CD1 3.49Å; V11-L198 VanDerWaalsContact CG1-CD1 3.49Å; V11-L198 HydrophobicContact CG1-CG 4.05Å |
| 12 | Q | 97.8 | Very high | 97.3 | Very high | 23 Ų | 23 | 55.2 Ų | 55.2 | 11% | 0.107 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 136.9 | -179.4 | -65.9 | 175.5 | -26.7 | 0 | 0 | 110.7 | T98 Y195 F196 T197 L198 | Q12-T98 CarbonylContact C-O 3.51Å; Q12-T98 WeakPolarHBondContact CA-O 3.48Å; Q12-Y195 HydrophobicContact CG-CD1 4.21Å; Q12-Y195 HydrophobicContact CG-CG 4.48Å; Q12-F196 PolarHBondContact N-O 2.93Å; Q12-T197 PolarHBondContact OE1-OG1 3.45Å; Q12-L198 WeakPolarHBondContact O-CB 3.21Å; Q12-L198 PolarHBondContact O-N 3.03Å |
| 13 | L | 97.9 | Very high | 97.3 | Very high | 16 Ų | 16 | 53.1 Ų | 53.1 | 8% | 0.084 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 113.8 | 174.9 | -54.6 | 177.2 | 0 | 0 | 0 | 108.5 | V25 Y88 C97 T98 I100 I123 L198 | L13-V25 HydrophobicContact CD1-CB 4.34Å; L13-V25 HydrophobicContact CD1-CG1 4.03Å; L13-V25 HydrophobicContact CD1-CG2 3.58Å; L13-V25 HydrophobicContact CD2-CG1 4.14Å; L13-Y88 HydrophobicContact CD1-CD2 4.34Å; L13-C97 WeakPolarHBondContact O-CB 3.39Å; L13-T98 PolarHBondContact N-O 3.24Å; L13-T98 PolarHBondContact O-N 3.09Å; L13-I100 HydrophobicContact CD1-CD1 3.7Å; L13-I100 HydrophobicContact CD1-CG1 4.09Å; L13-I100 HydrophobicContact CG-CD1 4.47Å; L13-I123 HydrophobicContact CD2-CG2 4.26Å; L13-L198 HydrophobicContact CD2-CD1 4.41Å |
| 14 | W | 97.6 | Very high | 97.3 | Very high | 76 Ų | 76 | 55.2 Ų | 55.2 | 29% | 0.288 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 132.5 | 174.6 | -62.7 | 70.8 | 0 | 0 | 0 | 108.7 | D96 C97 T197 L198 Q199 | W14-D96 HydrophobicContact CE3-CB 4.38Å; W14-D96 HydrophobicContact CH2-CB 3.8Å; W14-D96 HydrophobicContact CZ3-CB 3.53Å; W14-C97 HydrophobicContact CD2-CB 3.75Å; W14-C97 HydrophobicContact CE3-CB 4.29Å; W14-C97 HydrophobicContact CG-CB 4.03Å; W14-C97 HydrophobicContact CH2-CB 4.5Å; W14-C97 HydrophobicContact CZ2-CB 3.98Å; W14-T197 VanDerWaalsContact CD1-CG2 3.5Å; W14-T197 HydrophobicContact CD2-CG2 4.38Å; W14-T197 HydrophobicContact CG-CG2 4.15Å; W14-T197 VanDerWaalsContact NE1-CG2 3.32Å; W14-L198 VanDerWaalsContact CB-O 3.32Å; W14-L198 WeakPolarHBondContact CB-O 3.45Å; W14-L198 PolarHBondContact N-O 2.83Å; W14-L198 VanDerWaalsContact N-O 3.15Å; W14-Q199 HydrophobicContact CB-CG 4.3Å |
| 15 | V | 95.7 | Very high | 97.3 | Very high | 40 Ų | 40 | 51 Ų | 51 | 24% | 0.242 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 137.2 | 176.1 | -62.3 | 0 | 0 | 0 | 0 | 109.1 | S17 Y88 L125 | V15-S17 VanDerWaalsContact C-N 3.29Å; V15-S17 WeakPolarHBondContact CG2-O 3.4Å; V15-Y88 HydrophobicContact CG1-CE2 4.37Å; V15-Y88 VanDerWaalsContact CG2-OH 3.27Å; V15-Y88 WeakPolarHBondContact CG2-OH 3.48Å; V15-L125 HydrophobicContact CG1-CD2 4.38Å |
| 16 | D | 95.5 | Very high | 97.3 | Very high | 124 Ų | 124 | 50.1 Ų | 50.1 | 66% | 0.663 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -73.4 | -26.4 | 176.3 | -64.6 | -34.2 | 0 | 0 | 0 | 111.9 | ||
| 17 | S | 94.7 | Very high | 97.4 | Very high | 51 Ų | 51 | 47.8 Ų | 47.8 | 36% | 0.357 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -141.2 | 144.6 | 177.7 | 59.3 | 0 | 0 | 0 | 0 | 110.4 | V15 P19 | V15-S17 VanDerWaalsContact C-N 3.29Å; V15-S17 WeakPolarHBondContact CG2-O 3.4Å; S17-P19 WeakPolarHBondContact O-CD 3.36Å |
| 18 | T | 95.6 | Very high | 97.4 | Very high | 104 Ų | 104 | 44 Ų | 44 | 64% | 0.638 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 122.8 | -178.8 | -51.1 | 0 | 0 | 0 | 0 | 110.1 | P90 | T18-P90 HydrophobicContact CG2-CG 4.35Š|
| 19 | P | 96.5 | Very high | 97.5 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -70.1 | 162.7 | -180 | 30.6 | -37 | 0 | 0 | 0 | 111.6 | S17 T23 Y88 L125 L133 | S17-P19 WeakPolarHBondContact O-CD 3.36Å; P19-T23 HydrophobicContact CB-CG2 3.92Å; P19-T23 HydrophobicContact CG-CG2 3.98Å; P19-Y88 VanDerWaalsContact CD-CE1 3.45Å; P19-Y88 HydrophobicContact CG-CD1 3.44Å; P19-Y88 VanDerWaalsContact CG-CD1 3.44Å; P19-Y88 HydrophobicContact CG-CD2 4.38Å; P19-Y88 HydrophobicContact CG-CE1 3.33Å; P19-Y88 HydrophobicContact CG-CE2 4.29Å; P19-Y88 HydrophobicContact CG-CG 3.98Å; P19-L125 HydrophobicContact CB-CD2 4.32Å; P19-L125 HydrophobicContact CG-CD2 4.48Å; P19-L133 HydrophobicContact CB-CD1 4.46Å |
| 20 | P | 96.2 | Very high | 97.5 | Very high | 60 Ų | 60 | 42.2 Ų | 42.2 | 39% | 0.39 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -57.6 | 153.7 | -179.3 | -24.9 | 34.7 | 0 | 0 | 0 | 113.8 | G22 T23 | P20-G22 PolarHBondContact O-N 3.19Å; P20-T23 WeakPolarHBondContact O-CB 3.44Å; P20-T23 PolarHBondContact O-N 2.96Å; P20-T23 PolarHBondContact O-OG1 2.83Å |
| 21 | P | 96.6 | Very high | 97.5 | Very high | 131 Ų | 131 | 41 Ų | 41 | 85% | 0.851 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 138.4 | 172.1 | -25.1 | 34.8 | 0 | 0 | 0 | 112 | ||
| 22 | G | 97.2 | Very high | 97.5 | Very high | 48 Ų | 48 | 46 Ų | 46 | 50% | 0.495 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 2.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P20 | P20-G22 PolarHBondContact O-N 3.19Š|
| 23 | T | 98.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.025 | 27% | 0.271 | C | S | . | . | trans | -56.7 | 143.8 | 168.6 | -72.3 | 0 | 0 | 0 | 0 | 111.6 | P19 P20 Y88 L125 E126 L133 | P19-T23 HydrophobicContact CB-CG2 3.92Å; P19-T23 HydrophobicContact CG-CG2 3.98Å; P20-T23 WeakPolarHBondContact O-CB 3.44Å; P20-T23 PolarHBondContact O-N 2.96Å; P20-T23 PolarHBondContact O-OG1 2.83Å; T23-Y88 HydrophobicContact CG2-CG 4.23Å; T23-Y88 WeakPolarHBondContact O-CB 3.43Å; T23-Y88 PolarHBondContact O-N 3.21Å; T23-L125 HydrophobicContact CG2-CD1 3.38Å; T23-L125 HydrophobicContact CG2-CD2 4.26Å; T23-L125 HydrophobicContact CG2-CG 3.61Å; T23-E126 CarbonylContact C-O 3.48Å; T23-E126 WeakPolarHBondContact CA-O 3.41Å; T23-E126 WeakPolarHBondContact CG2-O 3.29Å; T23-L133 HydrophobicContact CG2-CD1 4.01Å; T23-L133 WeakPolarHBondContact OG1-CD1 3.37Å | ||
| 24 | R | 98.5 | Very high | 97.5 | Very high | 56 Ų | 56 | 52.6 Ų | 52.6 | 21% | 0.211 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 153.9 | -177.1 | -57.5 | -178.8 | 65.6 | 170.9 | -0.9 | 110.1 | E72 V85 V86 E126 | R24-E72 IonicContact CZ-OE1 2.79Å; R24-E72 IonicContact CZ-OE2 3.77Å; R24-E72 IonicContact NH1-OE1 3.5Å; R24-E72 IonicContact NH1-OE2 3.81Å; R24-E72 PolarHBondContact NH1-OE2 3.42Å; R24-E72 IonicContact NH2-OE1 2.7Å; R24-E72 PolarHBondContact NH2-OE1 2.9Å; R24-E72 IonicContact NH2-OE2 3.43Å; R24-E72 PolarHBondContact NH2-OE2 2.97Å; R24-V85 HydrophobicContact CB-CG1 3.71Å; R24-V85 HydrophobicContact CG-CG1 4.42Å; R24-V85 VanDerWaalsContact NH2-CG1 3.26Å; R24-V86 CarbonylContact C-O 3.55Å; R24-V86 WeakPolarHBondContact CA-O 3.41Å; R24-E126 PolarHBondContact N-O 2.92Å; R24-E126 PolarHBondContact O-N 3.35Å |
| 25 | V | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 119.4 | 175.7 | -172.1 | 0 | 0 | 0 | 0 | 108 | L13 V85 V86 Y88 I100 I123 T124 L125 | L13-V25 HydrophobicContact CD1-CB 4.34Å; L13-V25 HydrophobicContact CD1-CG1 4.03Å; L13-V25 HydrophobicContact CD1-CG2 3.58Å; L13-V25 HydrophobicContact CD2-CG1 4.14Å; V25-V85 VanDerWaalsContact O-CA 3.3Å; V25-V85 WeakPolarHBondContact O-CA 3.46Å; V25-V86 HydrophobicContact CB-CG2 4.24Å; V25-V86 PolarHBondContact N-O 3.46Å; V25-V86 PolarHBondContact O-N 3.23Å; V25-Y88 HydrophobicContact CG2-CD2 4.19Å; V25-I100 HydrophobicContact CB-CD1 3.76Å; V25-I100 HydrophobicContact CG1-CD1 3.6Å; V25-I100 HydrophobicContact CG2-CD1 4.16Å; V25-I123 HydrophobicContact CG1-CG2 3.73Å; V25-T124 WeakPolarHBondContact CA-O 3.43Å; V25-L125 HydrophobicContact CG2-CD1 3.84Å |
| 26 | R | 98.7 | Very high | 97.5 | Very high | 37 Ų | 37 | 55.3 Ų | 55.3 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 137.9 | 179.2 | 175.3 | -173.3 | -48.9 | -81.7 | -6.4 | 110.4 | S83 V84 V85 I123 T124 E126 | R26-S83 PolarHBondContact NH1-OG 3.1Å; R26-V84 CarbonylContact C-O 3.52Å; R26-V84 WeakPolarHBondContact CA-O 3.45Å; R26-V85 HydrophobicContact CB-CG1 4.43Å; R26-V85 HydrophobicContact CB-CG2 3.89Å; R26-V85 HydrophobicContact CG-CG2 3.87Å; R26-V85 VanDerWaalsContact CZ-CG2 3.46Å; R26-I123 CarbonylContact O-C 3.56Å; R26-I123 VanDerWaalsContact O-CA 3.27Å; R26-I123 WeakPolarHBondContact O-CA 3.49Å; R26-T124 WeakPolarHBondContact CB-OG1 3.43Å; R26-T124 PolarHBondContact N-O 2.82Å; R26-T124 PolarHBondContact O-N 2.91Å; R26-E126 VanDerWaalsContact CD-OE1 3.3Å; R26-E126 WeakPolarHBondContact CD-OE1 3.24Å; R26-E126 IonicContact CZ-OE1 3.21Å; R26-E126 IonicContact CZ-OE2 3.93Å; R26-E126 VanDerWaalsContact NE-CD 3.32Å; R26-E126 IonicContact NE-OE1 3.6Å; R26-E126 PolarHBondContact NE-OE1 3.33Å; R26-E126 IonicContact NE-OE2 3.71Å; R26-E126 PolarHBondContact NE-OE2 3.3Å; R26-E126 IonicContact NH2-OE1 3.6Å; R26-E126 IonicContact NH2-OE2 3.89Å; R26-E126 PolarHBondContact NH2-OE2 3.01Å |
| 27 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 132.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | I63 S83 V84 Y102 T121 I122 I123 | A27-I63 HydrophobicContact CB-CD1 4.32Å; A27-I63 HydrophobicContact CB-CG2 4.26Å; A27-S83 VanDerWaalsContact O-CA 3.32Å; A27-S83 WeakPolarHBondContact O-CA 3.43Å; A27-S83 WeakPolarHBondContact O-CB 3.25Å; A27-V84 HydrophobicContact CB-CG1 3.9Å; A27-V84 PolarHBondContact N-O 3.27Å; A27-V84 PolarHBondContact O-N 2.79Å; A27-Y102 HydrophobicContact CB-CD1 4.27Å; A27-Y102 HydrophobicContact CB-CE1 3.48Å; A27-Y102 VanDerWaalsContact CB-CE1 3.48Å; A27-T121 HydrophobicContact CB-CG2 4.31Å; A27-I122 WeakPolarHBondContact CA-O 3.13Å; A27-I123 HydrophobicContact CB-CD1 3.51Å |
| 28 | M | 98.8 | Very high | 97.6 | Very high | 40 Ų | 40 | 58.1 Ų | 58.1 | 20% | 0.197 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 137.7 | 177.3 | -175.5 | -177.6 | -65.9 | 0 | 0 | 110.5 | R81 T121 I122 | M28-R81 HydrophobicContact CE-CB 4.18Å; M28-R81 HydrophobicContact SD-CB 3.98Å; M28-R81 HydrophobicContact SD-CG 4.44Å; M28-T121 WeakPolarHBondContact O-CA 3.3Å; M28-I122 PolarHBondContact N-O 3.22Å; M28-I122 PolarHBondContact O-N 3.48Å |
| 29 | A | 98.8 | Very high | 97.7 | Very high | 9 Ų | 9 | 56.9 Ų | 56.9 | 7% | 0.074 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 136.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V41 L62 I63 I119 L120 | A29-V41 HydrophobicContact CB-CB 3.83Å; A29-V41 HydrophobicContact CB-CG1 3.72Å; A29-V41 HydrophobicContact CB-CG2 4.18Å; A29-L62 HydrophobicContact CB-CD2 4.12Å; A29-I63 HydrophobicContact CB-CD1 3.94Å; A29-I63 HydrophobicContact CB-CG1 4.36Å; A29-I119 HydrophobicContact CB-CD1 4.45Å; A29-L120 WeakPolarHBondContact CA-O 3.27Å |
| 30 | I | 98.7 | Very high | 97.8 | Very high | 26 Ų | 26 | 57 Ų | 57 | 13% | 0.133 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 153.9 | 169 | 64.6 | 162.1 | 0 | 0 | 0 | 110.4 | I119 L120 I122 | I30-I119 CarbonylContact O-C 3.58Å; I30-I119 WeakPolarHBondContact O-CA 3.37Å; I30-I119 WeakPolarHBondContact O-CB 3.35Å; I30-L120 HydrophobicContact CD1-CD1 4.4Å; I30-L120 HydrophobicContact CG1-CB 3.99Å; I30-L120 PolarHBondContact N-O 3.06Å; I30-L120 PolarHBondContact O-N 3.49Å; I30-I122 HydrophobicContact CD1-CD1 3.63Å; I30-I122 HydrophobicContact CD1-CG1 4.44Å; I30-I122 HydrophobicContact CG1-CD1 3.91Å; I30-I122 HydrophobicContact CG1-CG1 4.35Å; I30-I122 HydrophobicContact CG2-CD1 4.27Å |
| 31 | Y | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 138 | 169.4 | -68.3 | -68.2 | 0 | 0 | 0 | 110.7 | H36 E39 V41 G113 M114 R117 I119 | Y31-H36 HydrophobicContact CD2-CB 3.98Å; Y31-H36 VanDerWaalsContact CD2-O 3.3Å; Y31-H36 WeakPolarHBondContact CD2-O 3.44Å; Y31-H36 HydrophobicContact CG-CB 3.82Å; Y31-E39 HydrophobicContact CD2-CB 3.97Å; Y31-E39 HydrophobicContact CD2-CG 4.5Å; Y31-E39 HydrophobicContact CE2-CB 3.91Å; Y31-E39 HydrophobicContact CE2-CG 3.93Å; Y31-V41 HydrophobicContact CD1-CG2 4.28Å; Y31-V41 HydrophobicContact CD2-CG2 3.8Å; Y31-V41 HydrophobicContact CE1-CG2 4.24Å; Y31-V41 HydrophobicContact CE2-CG2 3.79Å; Y31-V41 HydrophobicContact CG-CG2 4.06Å; Y31-G113 PolarHBondContact OH-O 3.22Å; Y31-M114 HydrophobicContact CE1-CB 4.38Å; Y31-M114 HydrophobicContact CE1-CG 4.25Å; Y31-M114 WeakPolarHBondContact OH-CA 3.21Å; Y31-R117 HydrophobicContact CD1-CB 3.68Å; Y31-R117 HydrophobicContact CE1-CB 3.78Å; Y31-R117 PolarHBondContact OH-NH2 3.13Å; Y31-I119 HydrophobicContact CD1-CG2 3.65Å; Y31-I119 HydrophobicContact CE1-CG2 3.87Å |
| 32 | K | 98.4 | Very high | 98 | Very high | 103 Ų | 103 | 53.7 Ų | 53.7 | 45% | 0.448 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -72.8 | -36.6 | -178.4 | 179.6 | -179.8 | 175.5 | -176.9 | 0 | 112.6 | P118 L120 E139 | K32-P118 HydrophobicContact CB-CB 4.16Å; K32-P118 HydrophobicContact CB-CG 4.13Å; K32-P118 HydrophobicContact CD-CB 4.29Å; K32-P118 HydrophobicContact CD-CG 4.45Å; K32-P118 PolarHBondContact N-O 3.05Å; K32-L120 HydrophobicContact CB-CD2 4.34Å; K32-L120 HydrophobicContact CB-CG 4.03Å; K32-L120 HydrophobicContact CD-CD2 4.23Å; K32-L120 HydrophobicContact CG-CD1 4.48Å; K32-L120 HydrophobicContact CG-CD2 4.19Å; K32-L120 HydrophobicContact CG-CG 4.23Å; K32-E139 HydrophobicContact CD-CG 4.45Å; K32-E139 WeakPolarHBondContact CD-OE1 3.29Å; K32-E139 VanDerWaalsContact NZ-CD 3.31Å; K32-E139 IonicContact NZ-OE1 3.65Å; K32-E139 PolarHBondContact NZ-OE1 3.2Å; K32-E139 IonicContact NZ-OE2 2.9Å; K32-E139 PolarHBondContact NZ-OE2 3.43Å |
| 33 | Q | 97.7 | Very high | 98.1 | Very high | 77 Ų | 77 | 51.5 Ų | 51.5 | 36% | 0.36 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -76.7 | 132.5 | -178 | -69.4 | 174.1 | -35.8 | 0 | 0 | 110.5 | Q35 H36 M37 P118 | Q33-Q35 VanDerWaalsContact C-N 3.26Å; Q33-Q35 HydrophobicContact CB-CG 4.27Å; Q33-Q35 PolarHBondContact O-N 2.59Å; Q33-H36 PolarHBondContact O-N 3.3Å; Q33-H36 PolarHBondContact OE1-CD2 3.45Å; Q33-M37 PolarHBondContact O-N 2.79Å; Q33-M37 VanDerWaalsContact O-N 3.13Å; Q33-P118 HydrophobicContact CG-CG 4.09Å |
| 34 | S | 97.2 | Very high | 98.1 | Very high | 102 Ų | 102 | 51.5 Ų | 51.5 | 71% | 0.713 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -54.2 | -40.5 | -176.4 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | H36 M37 | S34-H36 PolarHBondContact O-N 2.9Å; S34-H36 VanDerWaalsContact O-N 3.09Å; S34-M37 WeakPolarHBondContact O-CB 3.44Å; S34-M37 PolarHBondContact O-N 2.84Å |
| 35 | Q | 97.5 | Very high | 98.1 | Very high | 129 Ų | 129 | 51.7 Ų | 51.7 | 60% | 0.603 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -62.2 | -16.4 | 178.3 | 72.5 | -134.2 | 41.2 | 0 | 0 | 114.8 | Q33 | Q33-Q35 VanDerWaalsContact C-N 3.26Å; Q33-Q35 HydrophobicContact CB-CG 4.27Å; Q33-Q35 PolarHBondContact O-N 2.59Å |
| 36 | H | 96.9 | Very high | 98 | Very high | 44 Ų | 44 | 58.3 Ų | 58.3 | 20% | 0.204 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -117.8 | -3.9 | -179.1 | -59.9 | -49.6 | 0 | 0 | 0 | 112.4 | Y31 Q33 S34 T38 E39 R117 | Y31-H36 HydrophobicContact CD2-CB 3.98Å; Y31-H36 VanDerWaalsContact CD2-O 3.3Å; Y31-H36 WeakPolarHBondContact CD2-O 3.44Å; Y31-H36 HydrophobicContact CG-CB 3.82Å; Q33-H36 PolarHBondContact O-N 3.3Å; Q33-H36 PolarHBondContact OE1-CD2 3.45Å; S34-H36 PolarHBondContact O-N 2.9Å; S34-H36 VanDerWaalsContact O-N 3.09Å; H36-T38 PolarHBondContact O-N 2.68Å; H36-T38 VanDerWaalsContact O-N 3.15Å; H36-E39 WeakPolarHBondContact O-CB 3.47Å; H36-E39 PolarHBondContact O-N 2.86Å; H36-R117 WeakPolarHBondContact CD2-CD 3.3Å; H36-R117 WeakPolarHBondContact NE2-CD 3.44Å |
| 37 | M | 95.2 | Very high | 98 | Very high | 108 Ų | 108 | 57.7 Ų | 57.7 | 53% | 0.532 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -36.1 | -173.8 | 170.1 | -179.3 | -177.8 | 0 | 0 | 113.4 | Q33 S34 E39 R81 | Q33-M37 PolarHBondContact O-N 2.79Å; Q33-M37 VanDerWaalsContact O-N 3.13Å; S34-M37 WeakPolarHBondContact O-CB 3.44Å; S34-M37 PolarHBondContact O-N 2.84Å; M37-E39 VanDerWaalsContact C-N 3.31Å; M37-R81 PolarHBondContact O-NH2 2.88Å |
| 38 | T | 96.6 | Very high | 97.8 | Very high | 125 Ų | 125 | 60.6 Ų | 60.6 | 77% | 0.767 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -16.3 | -178.8 | 54.9 | 0 | 0 | 0 | 0 | 113.1 | H36 | H36-T38 PolarHBondContact O-N 2.68Å; H36-T38 VanDerWaalsContact O-N 3.15Å |
| 39 | E | 98.3 | Very high | 97.7 | Very high | 78 Ų | 78 | 69 Ų | 69 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -74.5 | 141.7 | 177.1 | -168.8 | -178.1 | 135.2 | 0 | 0 | 110.9 | Y31 H36 M37 R81 R117 | Y31-E39 HydrophobicContact CD2-CB 3.97Å; Y31-E39 HydrophobicContact CD2-CG 4.5Å; Y31-E39 HydrophobicContact CE2-CB 3.91Å; Y31-E39 HydrophobicContact CE2-CG 3.93Å; H36-E39 WeakPolarHBondContact O-CB 3.47Å; H36-E39 PolarHBondContact O-N 2.86Å; M37-E39 VanDerWaalsContact C-N 3.31Å; E39-R81 PolarHBondContact O-NH1 3.17Å; E39-R117 IonicContact OE1-CZ 3.15Å; E39-R117 VanDerWaalsContact OE1-CZ 3.32Å; E39-R117 IonicContact OE1-NH1 2.71Å; E39-R117 PolarHBondContact OE1-NH1 3.27Å; E39-R117 IonicContact OE1-NH2 2.97Å; E39-R117 PolarHBondContact OE1-NH2 2.96Å; E39-R117 IonicContact OE2-CZ 3.36Å; E39-R117 IonicContact OE2-NH1 3.33Å; E39-R117 PolarHBondContact OE2-NH1 3.21Å; E39-R117 IonicContact OE2-NH2 2.68Å |
| 40 | V | 98.5 | Very high | 97.4 | Very high | 15 Ų | 15 | 71.3 Ų | 71.3 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 123.3 | 175.4 | 175.2 | 0 | 0 | 0 | 0 | 109.7 | R42 F80 R81 | V40-R42 PolarHBondContact O-N 2.87Å; V40-F80 VanDerWaalsContact CG1-O 3.29Å; V40-F80 WeakPolarHBondContact CG1-O 3.36Å; V40-F80 HydrophobicContact CG2-CB 4.11Å; V40-F80 WeakPolarHBondContact CG2-O 3.38Å; V40-R81 HydrophobicContact CG2-CG 4.35Å |
| 41 | V | 98.7 | Very high | 96.7 | Very high | 6 Ų | 6 | 76.2 Ų | 76.2 | 4% | 0.036 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 119.3 | 171 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | A29 Y31 L62 M114 I119 | A29-V41 HydrophobicContact CB-CB 3.83Å; A29-V41 HydrophobicContact CB-CG1 3.72Å; A29-V41 HydrophobicContact CB-CG2 4.18Å; Y31-V41 HydrophobicContact CD1-CG2 4.28Å; Y31-V41 HydrophobicContact CD2-CG2 3.8Å; Y31-V41 HydrophobicContact CE1-CG2 4.24Å; Y31-V41 HydrophobicContact CE2-CG2 3.79Å; Y31-V41 HydrophobicContact CG-CG2 4.06Å; V41-L62 HydrophobicContact CG1-CB 4.39Å; V41-L62 HydrophobicContact CG1-CD2 3.39Å; V41-L62 HydrophobicContact CG1-CG 4.49Å; V41-M114 HydrophobicContact CG1-CG 4.38Å; V41-I119 HydrophobicContact CG1-CG2 4.24Å; V41-I119 HydrophobicContact CG2-CG2 4.09Å |
| 42 | R | 98.3 | Very high | 96.2 | Very high | 117 Ų | 117 | 78.5 Ų | 78.5 | 44% | 0.442 | 40% | 0.4 | S | S | . | . | trans | -139.3 | 162 | 179.8 | 61.3 | -176 | 68.5 | -179.6 | -3.2 | 110.8 | V40 | V40-R42 PolarHBondContact O-N 2.87Š| ||
| 43 | R | 98.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 77 Ų | 77 | 1% | 0.008 | 40% | 0.402 | C | S | . | . | trans | -61.3 | 153.4 | 171.2 | -67.8 | -177.4 | 70.4 | -164.3 | 16 | 110.4 | H47 D52 P59 Q60 H61 M105 C106 | R43-H47 HydrophobicContact CB-CB 4.38Å; R43-H47 PolarHBondContact NH1-O 2.85Å; R43-H47 PolarHBondContact NH2-O 3.39Å; R43-D52 IonicContact CZ-OD1 3.06Å; R43-D52 IonicContact CZ-OD2 3.91Å; R43-D52 IonicContact NH1-OD1 3.81Å; R43-D52 PolarHBondContact NH1-OD1 3.5Å; R43-D52 IonicContact NH1-OD2 2.73Å; R43-D52 IonicContact NH2-OD1 3.67Å; R43-D52 PolarHBondContact NH2-OD1 3.04Å; R43-D52 IonicContact NH2-OD2 3.32Å; R43-D52 PolarHBondContact NH2-OD2 3.04Å; R43-P59 VanDerWaalsContact CD-O 3.26Å; R43-P59 WeakPolarHBondContact CD-O 3.32Å; R43-P59 PolarHBondContact NH1-O 2.74Å; R43-Q60 PolarHBondContact N-O 3.04Å; R43-H61 WeakPolarHBondContact CD-O 3.26Å; R43-H61 WeakPolarHBondContact CG-O 3.37Å; R43-M105 HydrophobicContact CG-CB 4.34Å; R43-M105 PolarHBondContact NE-O 2.73Å; R43-M105 PolarHBondContact NH2-O 2.87Å; R43-C106 HydrophobicContact CG-CB 4.47Å | ||
| 44 | C | 98.4 | Very high | 95 | Very high | 4 Ų | 4 | 77 Ų | 77 | 3% | 0.027 | 41% | 0.405 | C | S | . | . | trans | -72.7 | 159.6 | 175.3 | 70.8 | 0 | 0 | 0 | 0 | 111 | H46 H47 E48 C106 C110 M111 | C44-H46 PolarHBondContact O-N 2.67Å; C44-H47 PolarHBondContact O-N 2.78Å; C44-H47 PolarHBondContact SG-ND1 2.79Å; C44-H47 VanDerWaalsContact SG-ND1 3.39Å; C44-E48 WeakPolarHBondContact O-CB 3.2Å; C44-E48 PolarHBondContact O-N 3.17Å; C44-C106 PolarHBondContact N-SG 3.04Å; C44-C106 VanDerWaalsContact SG-SG 3.62Å; C44-C110 HydrophobicContact CB-CB 3.86Å; C44-M111 VanDerWaalsContact CB-O 3.27Å; C44-M111 WeakPolarHBondContact CB-O 3.13Å | ||
| 45 | P | 97.9 | Very high | 94.6 | Very high | 59 Ų | 59 | 75.3 Ų | 75.3 | 38% | 0.383 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -55.3 | -31.1 | -178.6 | -28.8 | 35.4 | 0 | 0 | 0 | 114.6 | R49 | P45-R49 WeakPolarHBondContact O-CB 3.42Å; P45-R49 WeakPolarHBondContact O-CD 3.46Å; P45-R49 VanDerWaalsContact O-CG 3.24Å; P45-R49 WeakPolarHBondContact O-CG 3.44Å; P45-R49 PolarHBondContact O-N 3.03Å |
| 46 | H | 97.7 | Very high | 94.4 | Very high | 141 Ų | 141 | 73.6 Ų | 73.6 | 65% | 0.653 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67.3 | -48.3 | 176.6 | 175.5 | 67.6 | 0 | 0 | 0 | 112 | C44 R49 C50 | C44-H46 PolarHBondContact O-N 2.67Å; H46-R49 PolarHBondContact O-N 2.78Å; H46-C50 PolarHBondContact O-N 3.25Å |
| 47 | H | 97.5 | Very high | 94.4 | Very high | 23 Ų | 23 | 71.7 Ų | 71.7 | 11% | 0.106 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -75.6 | -33.4 | -178 | -83 | 128.7 | 0 | 0 | 0 | 112.4 | R43 C44 R49 C50 C106 C110 | R43-H47 HydrophobicContact CB-CB 4.38Å; R43-H47 PolarHBondContact NH1-O 2.85Å; R43-H47 PolarHBondContact NH2-O 3.39Å; C44-H47 PolarHBondContact O-N 2.78Å; C44-H47 PolarHBondContact SG-ND1 2.79Å; C44-H47 VanDerWaalsContact SG-ND1 3.39Å; H47-R49 VanDerWaalsContact C-N 3.25Å; H47-R49 PolarHBondContact O-N 2.97Å; H47-C50 WeakPolarHBondContact O-CB 3.42Å; H47-C50 PolarHBondContact O-N 2.82Å; H47-C106 PolarHBondContact ND1-SG 2.76Å; H47-C110 PolarHBondContact CE1-SG 3.18Å; H47-C110 PolarHBondContact ND1-SG 2.78Å; H47-C110 VanDerWaalsContact ND1-SG 3.45Å |
| 48 | E | 96.4 | Very high | 94.4 | Very high | 62 Ų | 62 | 68.1 Ų | 68.1 | 29% | 0.29 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.5 | -35.6 | 172.6 | -177.5 | -176.1 | 169.8 | 0 | 0 | 112.2 | C44 P59 Q60 | C44-E48 WeakPolarHBondContact O-CB 3.2Å; C44-E48 PolarHBondContact O-N 3.17Å; E48-P59 WeakPolarHBondContact CA-O 3.47Å; E48-P59 HydrophobicContact CG-CB 4.25Å; E48-P59 VanDerWaalsContact O-CB 3.29Å; E48-P59 WeakPolarHBondContact O-CB 3.3Å; E48-Q60 HydrophobicContact CG-CG 4.04Å; E48-Q60 WeakPolarHBondContact OE1-CG 3.29Å; E48-Q60 PolarHBondContact OE1-NE2 2.91Å |
| 49 | R | 96 | Very high | 94.4 | Very high | 215 Ų | 215 | 64.7 Ų | 64.7 | 81% | 0.811 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -6.2 | 179.7 | -65.3 | 173.3 | -174.4 | -173.9 | 0.5 | 113.7 | P45 H46 H47 | P45-R49 WeakPolarHBondContact O-CB 3.42Å; P45-R49 WeakPolarHBondContact O-CD 3.46Å; P45-R49 VanDerWaalsContact O-CG 3.24Å; P45-R49 WeakPolarHBondContact O-CG 3.44Å; P45-R49 PolarHBondContact O-N 3.03Å; H46-R49 PolarHBondContact O-N 2.78Å; H47-R49 VanDerWaalsContact C-N 3.25Å; H47-R49 PolarHBondContact O-N 2.97Å |
| 50 | C | 92.3 | Very high | 94.4 | Very high | 58 Ų | 58 | 63.7 Ų | 63.7 | 39% | 0.392 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -74.1 | 136.8 | 177.7 | -161.3 | 0 | 0 | 0 | 0 | 109.3 | H46 H47 D52 | H46-C50 PolarHBondContact O-N 3.25Å; H47-C50 WeakPolarHBondContact O-CB 3.42Å; H47-C50 PolarHBondContact O-N 2.82Å; C50-D52 PolarHBondContact O-N 2.89Å |
| 51 | S | 83.3 | Confident | 94.3 | Very high | 129 Ų | 129 | 63 Ų | 63 | 90% | 0.902 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -79.4 | 58.4 | 177.7 | 56.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 52 | D | 88.6 | Confident | 94.3 | Very high | 52 Ų | 52 | 63 Ų | 63 | 28% | 0.278 | 35% | 0.346 | S | S | . | . | trans | -110.6 | 22.9 | 179.9 | 71.8 | 1.4 | 0 | 0 | 0 | 113.2 | R43 C50 R64 | R43-D52 IonicContact CZ-OD1 3.06Å; R43-D52 IonicContact CZ-OD2 3.91Å; R43-D52 IonicContact NH1-OD1 3.81Å; R43-D52 PolarHBondContact NH1-OD1 3.5Å; R43-D52 IonicContact NH1-OD2 2.73Å; R43-D52 IonicContact NH2-OD1 3.67Å; R43-D52 PolarHBondContact NH2-OD1 3.04Å; R43-D52 IonicContact NH2-OD2 3.32Å; R43-D52 PolarHBondContact NH2-OD2 3.04Å; C50-D52 PolarHBondContact O-N 2.89Å; D52-R64 PolarHBondContact O-NH1 3.08Å; D52-R64 PolarHBondContact O-NH2 2.7Å; D52-R64 IonicContact OD1-NH2 2.66Å; D52-R64 PolarHBondContact OD1-NH2 2.93Å; D52-R64 VanDerWaalsContact OD1-NH2 3.09Å | ||
| 53 | S | 85 | Confident | 94.4 | Very high | 70 Ų | 70 | 57.8 Ų | 57.8 | 49% | 0.49 | 33% | 0.327 | S | S | . | . | trans | -68.4 | 141.8 | 176.7 | -176.1 | 0 | 0 | 0 | 0 | 110.9 | G55 | S53-G55 VanDerWaalsContact C-N 3.27Å; S53-G55 PolarHBondContact OG-N 2.84Å | ||
| 54 | D | 85.9 | Confident | 94.3 | Very high | 77 Ų | 77 | 58.1 Ų | 58.1 | 41% | 0.412 | 33% | 0.328 | S | S | . | . | trans | -88.5 | 6 | 169.2 | 50.7 | 25.7 | 0 | 0 | 0 | 112.2 | L56 A57 R64 | D54-L56 VanDerWaalsContact C-N 3.27Å; D54-L56 PolarHBondContact O-N 2.96Å; D54-L56 PolarHBondContact OD1-N 2.6Å; D54-A57 WeakPolarHBondContact OD1-CB 3.32Å; D54-A57 PolarHBondContact OD1-N 2.82Å; D54-R64 WeakPolarHBondContact OD2-CD 3.08Å; D54-R64 IonicContact OD2-NH1 3.09Å; D54-R64 PolarHBondContact OD2-NH1 2.84Å | ||
| 55 | G | 89.9 | Confident | 94.3 | Very high | 68 Ų | 68 | 58.3 Ų | 58.3 | 70% | 0.701 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 84.3 | -10.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S53 | S53-G55 VanDerWaalsContact C-N 3.27Å; S53-G55 PolarHBondContact OG-N 2.84Å |
| 56 | L | 93.5 | Very high | 94.2 | Very high | 93 Ų | 93 | 58.6 Ų | 58.6 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -112.7 | -44 | -179.4 | -62.3 | 175.3 | 0 | 0 | 0 | 111.9 | D54 P58 V71 Y73 | D54-L56 VanDerWaalsContact C-N 3.27Å; D54-L56 PolarHBondContact O-N 2.96Å; D54-L56 PolarHBondContact OD1-N 2.6Å; L56-P58 WeakPolarHBondContact O-CD 3.47Å; L56-V71 HydrophobicContact CB-CG1 4.46Å; L56-V71 HydrophobicContact CD1-CG1 3.76Å; L56-Y73 HydrophobicContact CB-CD2 4.47Å; L56-Y73 HydrophobicContact CB-CE2 4.04Å; L56-Y73 WeakPolarHBondContact O-CD2 3.45Å |
| 57 | A | 95.2 | Very high | 94 | Very high | 3 Ų | 3 | 56.1 Ų | 56.1 | 3% | 0.025 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -77.3 | 124.8 | -176 | 0 | 0 | 0 | 0 | 0 | 111.5 | D54 R64 Y73 | D54-A57 WeakPolarHBondContact OD1-CB 3.32Å; D54-A57 PolarHBondContact OD1-N 2.82Å; A57-R64 HydrophobicContact CB-CG 3.81Å; A57-Y73 VanDerWaalsContact CA-CE2 3.47Å; A57-Y73 HydrophobicContact CB-CD1 4.39Å; A57-Y73 HydrophobicContact CB-CD2 4.27Å; A57-Y73 HydrophobicContact CB-CE1 3.82Å; A57-Y73 HydrophobicContact CB-CE2 3.7Å; A57-Y73 VanDerWaalsContact CB-CZ 3.45Å |
| 58 | P | 96.3 | Very high | 93.9 | Very high | 34 Ų | 34 | 56.6 Ų | 56.6 | 22% | 0.221 | 34% | 0.342 | C | S | . | . | trans | -60.3 | 143.4 | 169.6 | -19.2 | 30.5 | 0 | 0 | 0 | 110.5 | L56 Q60 H61 Y73 | L56-P58 WeakPolarHBondContact O-CD 3.47Å; P58-Q60 PolarHBondContact O-N 3.07Å; P58-H61 PolarHBondContact O-N 2.88Å; P58-H61 VanDerWaalsContact O-N 3.09Å; P58-Y73 VanDerWaalsContact CD-CB 3.44Å | ||
| 59 | P | 96.6 | Very high | 93.8 | Very high | 53 Ų | 53 | 61.3 Ų | 61.3 | 34% | 0.344 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.3 | -171.5 | 22 | -31.2 | 0 | 0 | 0 | 114.2 | R43 E48 | R43-P59 VanDerWaalsContact CD-O 3.26Å; R43-P59 WeakPolarHBondContact CD-O 3.32Å; R43-P59 PolarHBondContact NH1-O 2.74Å; E48-P59 WeakPolarHBondContact CA-O 3.47Å; E48-P59 HydrophobicContact CG-CB 4.25Å; E48-P59 VanDerWaalsContact O-CB 3.29Å; E48-P59 WeakPolarHBondContact O-CB 3.3Å |
| 60 | Q | 97.3 | Very high | 93.9 | Very high | 56 Ų | 56 | 57.2 Ų | 57.2 | 26% | 0.262 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -18.8 | 178.5 | -60.9 | 79.2 | 8.2 | 0 | 0 | 114.2 | R43 E48 P58 L62 | R43-Q60 PolarHBondContact N-O 3.04Å; E48-Q60 HydrophobicContact CG-CG 4.04Å; E48-Q60 WeakPolarHBondContact OE1-CG 3.29Å; E48-Q60 PolarHBondContact OE1-NE2 2.91Å; P58-Q60 PolarHBondContact O-N 3.07Å; Q60-L62 PolarHBondContact O-N 3.4Å |
| 61 | H | 98.2 | Very high | 94.2 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.009 | 34% | 0.339 | C | S | . | . | trans | -72.7 | 123 | -171.2 | -81.3 | -119.8 | 0 | 0 | 0 | 111.6 | R43 P58 Y73 D75 H82 | R43-H61 WeakPolarHBondContact CD-O 3.26Å; R43-H61 WeakPolarHBondContact CG-O 3.37Å; P58-H61 PolarHBondContact O-N 2.88Å; P58-H61 VanDerWaalsContact O-N 3.09Å; H61-Y73 HydrophobicContact CB-CD1 4.32Å; H61-Y73 AromaticContact CG-CD1 3.99Å; H61-Y73 AromaticContact ND1-CD1 3.44Å; H61-Y73 WeakPolarHBondContact ND1-CD1 3.37Å; H61-D75 IonicContact CD2-OD1 2.59Å; H61-D75 IonicContact CE1-OD1 3.72Å; H61-D75 PolarHBondContact CE1-OD1 3.22Å; H61-D75 IonicContact NE2-OD1 2.64Å; H61-D75 PolarHBondContact NE2-OD1 2.75Å; H61-H82 AromaticContact CD2-CG 3.98Å; H61-H82 AromaticContact NE2-CG 3.88Å | ||
| 62 | L | 98.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -71.9 | -41.9 | 179.1 | 175 | 64.4 | 0 | 0 | 0 | 112.2 | A29 V41 Q60 Y104 M105 C106 M114 I119 | A29-L62 HydrophobicContact CB-CD2 4.12Å; V41-L62 HydrophobicContact CG1-CB 4.39Å; V41-L62 HydrophobicContact CG1-CD2 3.39Å; V41-L62 HydrophobicContact CG1-CG 4.49Å; Q60-L62 PolarHBondContact O-N 3.4Å; L62-Y104 HydrophobicContact CD2-CD1 4.48Å; L62-Y104 HydrophobicContact CG-CD1 4.35Å; L62-Y104 WeakPolarHBondContact O-CA 3.5Å; L62-M105 WeakPolarHBondContact O-CG 3.26Å; L62-M105 PolarHBondContact O-N 3.26Å; L62-C106 HydrophobicContact CD1-CB 3.45Å; L62-C106 VanDerWaalsContact CD1-CB 3.45Å; L62-M114 HydrophobicContact CD1-CE 3.91Å; L62-M114 HydrophobicContact CD2-CE 4.13Å; L62-M114 HydrophobicContact CD2-SD 3.99Å; L62-I119 HydrophobicContact CD2-CD1 3.63Å |
| 63 | I | 98.7 | Very high | 95.3 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 128.2 | -175.3 | -52 | 179.6 | 0 | 0 | 0 | 108 | A27 A29 V84 Y102 N103 Y104 T121 | A27-I63 HydrophobicContact CB-CD1 4.32Å; A27-I63 HydrophobicContact CB-CG2 4.26Å; A29-I63 HydrophobicContact CB-CD1 3.94Å; A29-I63 HydrophobicContact CB-CG1 4.36Å; I63-V84 HydrophobicContact CB-CG1 4.19Å; I63-V84 HydrophobicContact CG2-CG1 3.8Å; I63-Y102 HydrophobicContact CG2-CD1 3.6Å; I63-Y102 HydrophobicContact CG2-CE1 4.27Å; I63-Y102 HydrophobicContact CG2-CG 4.28Å; I63-N103 WeakPolarHBondContact CA-O 2.96Å; I63-Y104 HydrophobicContact CD1-CE1 4.06Å; I63-Y104 HydrophobicContact CG1-CD1 4.14Å; I63-Y104 HydrophobicContact CG1-CE1 3.81Å; I63-T121 HydrophobicContact CD1-CG2 3.93Å |
| 64 | R | 98.2 | Very high | 95.9 | Very high | 9 Ų | 9 | 52.1 Ų | 52.1 | 3% | 0.034 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 160.8 | 170.3 | -64.1 | -170.8 | -172.6 | 176.6 | 11 | 110.8 | D52 D54 A57 Y73 Y102 N103 M105 | D52-R64 PolarHBondContact O-NH1 3.08Å; D52-R64 PolarHBondContact O-NH2 2.7Å; D52-R64 IonicContact OD1-NH2 2.66Å; D52-R64 PolarHBondContact OD1-NH2 2.93Å; D52-R64 VanDerWaalsContact OD1-NH2 3.09Å; D54-R64 WeakPolarHBondContact OD2-CD 3.08Å; D54-R64 IonicContact OD2-NH1 3.09Å; D54-R64 PolarHBondContact OD2-NH1 2.84Å; A57-R64 HydrophobicContact CB-CG 3.81Å; R64-Y73 WeakPolarHBondContact CA-OH 3.36Å; R64-Y73 HydrophobicContact CB-CE1 4.49Å; R64-Y73 WeakPolarHBondContact CB-OH 3.08Å; R64-Y73 HydrophobicContact CG-CE1 4.24Å; R64-Y102 CarbonylContact O-C 3.56Å; R64-Y102 VanDerWaalsContact O-CA 3.25Å; R64-Y102 WeakPolarHBondContact O-CA 3.29Å; R64-N103 HydrophobicContact CB-CB 4.41Å; R64-N103 PolarHBondContact N-O 2.72Å; R64-N103 PolarHBondContact O-N 2.86Å; R64-M105 HydrophobicContact CB-CG 4.38Å; R64-M105 HydrophobicContact CG-CG 3.67Å; R64-M105 HydrophobicContact CG-SD 4.28Å |
| 65 | V | 98.2 | Very high | 96.5 | Very high | 9 Ų | 9 | 52.6 Ų | 52.6 | 6% | 0.055 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128.6 | 169.4 | 176.3 | 0 | 0 | 0 | 0 | 108.6 | N68 V71 Y73 V84 V86 I100 H101 Y102 | V65-N68 HydrophobicContact CG1-CB 3.93Å; V65-V71 HydrophobicContact CB-CG2 4.02Å; V65-V71 HydrophobicContact CG2-CG2 4.37Å; V65-Y73 PolarHBondContact N-OH 2.88Å; V65-V84 HydrophobicContact CB-CG2 4.29Å; V65-V84 HydrophobicContact CG2-CG1 4.03Å; V65-V84 HydrophobicContact CG2-CG2 3.64Å; V65-V86 HydrophobicContact CB-CG1 4.33Å; V65-V86 HydrophobicContact CG1-CG1 3.97Å; V65-V86 HydrophobicContact CG2-CG1 4.22Å; V65-I100 HydrophobicContact CG1-CG2 3.94Å; V65-I100 HydrophobicContact CG2-CG2 4.07Å; V65-H101 WeakPolarHBondContact CA-O 3.28Å; V65-Y102 HydrophobicContact CG2-CD1 3.67Å; V65-Y102 HydrophobicContact CG2-CE1 3.53Å |
| 66 | E | 95.1 | Very high | 96.9 | Very high | 64 Ų | 64 | 52.4 Ų | 52.4 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -94.8 | 150.2 | 174.1 | 66.9 | -176.5 | -148.3 | 0 | 0 | 111.5 | T8 N68 H101 N103 | T8-E66 VanDerWaalsContact CB-OE1 3.31Å; T8-E66 WeakPolarHBondContact CB-OE1 3.42Å; T8-E66 WeakPolarHBondContact CG2-OE1 3.27Å; T8-E66 VanDerWaalsContact OG1-CD 3.22Å; T8-E66 PolarHBondContact OG1-OE1 3.13Å; T8-E66 PolarHBondContact OG1-OE2 3.06Å; E66-N68 VanDerWaalsContact C-N 3.27Å; E66-N68 PolarHBondContact O-N 3.43Å; E66-H101 HydrophobicContact CG-CB 3.27Å; E66-H101 PolarHBondContact N-O 3.42Å; E66-H101 IonicContact OE1-CG 3.07Å; E66-N103 PolarHBondContact OE2-ND2 3.44Å; E66-N103 PolarHBondContact OE2-OD1 3.01Å |
| 67 | G | 94 | Very high | 97 | Very high | 90 Ų | 90 | 58.8 Ų | 58.8 | 93% | 0.928 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 72.8 | 9.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 68 | N | 94.6 | Very high | 97.1 | Very high | 32 Ų | 32 | 65.4 Ų | 65.4 | 17% | 0.171 | 34% | 0.339 | C | S | . | . | trans | -125.2 | 112 | 178.1 | -163.3 | -43.3 | 0 | 0 | 0 | 111.6 | V65 E66 R70 V71 V86 | V65-N68 HydrophobicContact CG1-CB 3.93Å; E66-N68 VanDerWaalsContact C-N 3.27Å; E66-N68 PolarHBondContact O-N 3.43Å; N68-R70 VanDerWaalsContact C-N 3.3Å; N68-R70 PolarHBondContact O-N 3.09Å; N68-R70 WeakPolarHBondContact OD1-CA 3.41Å; N68-R70 WeakPolarHBondContact OD1-CB 3.27Å; N68-R70 PolarHBondContact OD1-N 3Å; N68-V71 WeakPolarHBondContact O-CB 3.42Å; N68-V71 WeakPolarHBondContact O-CG1 3.19Å; N68-V86 HydrophobicContact CB-CG1 4.14Å | ||
| 69 | L | 94.9 | Very high | 97.2 | Very high | 162 Ų | 162 | 67.1 Ų | 67.1 | 85% | 0.848 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -14.2 | 179.7 | -63.3 | 177.6 | 0 | 0 | 0 | 113.7 | V71 | L69-V71 PolarHBondContact O-N 2.92Š|
| 70 | R | 97.2 | Very high | 97.2 | Very high | 129 Ų | 129 | 71 Ų | 71 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 15.8 | 177 | -55.1 | -172.1 | -68.9 | 163.8 | -0.4 | 111.8 | N68 P87 E89 | N68-R70 VanDerWaalsContact C-N 3.3Å; N68-R70 PolarHBondContact O-N 3.09Å; N68-R70 WeakPolarHBondContact OD1-CA 3.41Å; N68-R70 WeakPolarHBondContact OD1-CB 3.27Å; N68-R70 PolarHBondContact OD1-N 3Å; R70-P87 HydrophobicContact CB-CG 3.76Å; R70-P87 WeakPolarHBondContact O-CD 3.46Å; R70-E89 IonicContact CZ-OE1 3.04Å; R70-E89 IonicContact NE-OE1 3.37Å; R70-E89 VanDerWaalsContact NH2-CD 3.33Å; R70-E89 IonicContact NH2-OE1 3.79Å; R70-E89 PolarHBondContact NH2-OE1 3.39Å |
| 71 | V | 98.1 | Very high | 97.3 | Very high | 16 Ų | 16 | 70.4 Ų | 70.4 | 10% | 0.097 | 36% | 0.356 | C | S | . | . | trans | -68.9 | 134.3 | 176.2 | 66.8 | 0 | 0 | 0 | 0 | 110.7 | L56 V65 N68 L69 Y73 V84 V85 V86 | L56-V71 HydrophobicContact CB-CG1 4.46Å; L56-V71 HydrophobicContact CD1-CG1 3.76Å; V65-V71 HydrophobicContact CB-CG2 4.02Å; V65-V71 HydrophobicContact CG2-CG2 4.37Å; N68-V71 WeakPolarHBondContact O-CB 3.42Å; N68-V71 WeakPolarHBondContact O-CG1 3.19Å; L69-V71 PolarHBondContact O-N 2.92Å; V71-Y73 HydrophobicContact CG1-CE2 3.92Å; V71-Y73 HydrophobicContact CG2-CD2 4.27Å; V71-Y73 HydrophobicContact CG2-CE2 3.76Å; V71-V84 HydrophobicContact CG2-CG2 3.24Å; V71-V85 WeakPolarHBondContact CA-O 3.46Å; V71-V86 HydrophobicContact CB-CG1 4.01Å; V71-V86 HydrophobicContact CG2-CG1 4.08Å | ||
| 72 | E | 98 | Very high | 97.3 | Very high | 92 Ų | 92 | 71.7 Ų | 71.7 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126.8 | 172.9 | -69.7 | 173.6 | -139.4 | 0 | 0 | 109.1 | R24 L74 V85 | R24-E72 IonicContact CZ-OE1 2.79Å; R24-E72 IonicContact CZ-OE2 3.77Å; R24-E72 IonicContact NH1-OE1 3.5Å; R24-E72 IonicContact NH1-OE2 3.81Å; R24-E72 PolarHBondContact NH1-OE2 3.42Å; R24-E72 IonicContact NH2-OE1 2.7Å; R24-E72 PolarHBondContact NH2-OE1 2.9Å; R24-E72 IonicContact NH2-OE2 3.43Å; R24-E72 PolarHBondContact NH2-OE2 2.97Å; E72-L74 HydrophobicContact CB-CD1 3.94Å; E72-V85 PolarHBondContact N-O 3.27Å; E72-V85 PolarHBondContact O-N 2.87Å |
| 73 | Y | 98.3 | Very high | 97.3 | Very high | 36 Ų | 36 | 71.8 Ų | 71.8 | 14% | 0.141 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 126.1 | 173.2 | -67.9 | -84.9 | 0 | 0 | 0 | 109.1 | L56 A57 P58 H61 R64 V65 V71 V84 | L56-Y73 HydrophobicContact CB-CD2 4.47Å; L56-Y73 HydrophobicContact CB-CE2 4.04Å; L56-Y73 WeakPolarHBondContact O-CD2 3.45Å; A57-Y73 VanDerWaalsContact CA-CE2 3.47Å; A57-Y73 HydrophobicContact CB-CD1 4.39Å; A57-Y73 HydrophobicContact CB-CD2 4.27Å; A57-Y73 HydrophobicContact CB-CE1 3.82Å; A57-Y73 HydrophobicContact CB-CE2 3.7Å; A57-Y73 VanDerWaalsContact CB-CZ 3.45Å; P58-Y73 VanDerWaalsContact CD-CB 3.44Å; H61-Y73 HydrophobicContact CB-CD1 4.32Å; H61-Y73 AromaticContact CG-CD1 3.99Å; H61-Y73 AromaticContact ND1-CD1 3.44Å; H61-Y73 WeakPolarHBondContact ND1-CD1 3.37Å; R64-Y73 WeakPolarHBondContact CA-OH 3.36Å; R64-Y73 HydrophobicContact CB-CE1 4.49Å; R64-Y73 WeakPolarHBondContact CB-OH 3.08Å; R64-Y73 HydrophobicContact CG-CE1 4.24Å; V65-Y73 PolarHBondContact N-OH 2.88Å; V71-Y73 HydrophobicContact CG1-CE2 3.92Å; V71-Y73 HydrophobicContact CG2-CD2 4.27Å; V71-Y73 HydrophobicContact CG2-CE2 3.76Å; Y73-V84 HydrophobicContact CD1-CB 3.87Å; Y73-V84 HydrophobicContact CD1-CG2 3.79Å; Y73-V84 HydrophobicContact CE1-CB 3.81Å; Y73-V84 HydrophobicContact CE1-CG2 3.48Å; Y73-V84 VanDerWaalsContact CE1-CG2 3.48Å; Y73-V84 HydrophobicContact CG-CG2 4.46Å |
| 74 | L | 97.7 | Very high | 97.3 | Very high | 58 Ų | 58 | 71.4 Ų | 71.4 | 30% | 0.304 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.3 | -177.3 | -77.9 | 85.9 | 0 | 0 | 0 | 111.3 | E72 H82 S83 V85 | E72-L74 HydrophobicContact CB-CD1 3.94Å; L74-H82 WeakPolarHBondContact O-CA 3.29Å; L74-S83 PolarHBondContact N-O 3.27Å; L74-S83 PolarHBondContact O-N 2.9Å; L74-V85 HydrophobicContact CD1-CB 4.39Å; L74-V85 HydrophobicContact CD1-CG2 3.78Å |
| 75 | D | 98 | Very high | 97.3 | Very high | 87 Ų | 87 | 71 Ų | 71 | 47% | 0.465 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 106.2 | 163.4 | -64.6 | -29.5 | 0 | 0 | 0 | 108.3 | H61 R77 H82 | H61-D75 IonicContact CD2-OD1 2.59Å; H61-D75 IonicContact CE1-OD1 3.72Å; H61-D75 PolarHBondContact CE1-OD1 3.22Å; H61-D75 IonicContact NE2-OD1 2.64Å; H61-D75 PolarHBondContact NE2-OD1 2.75Å; D75-R77 PolarHBondContact O-N 2.76Å; D75-H82 IonicContact OD1-CD2 3.51Å; D75-H82 PolarHBondContact OD1-CD2 3.3Å; D75-H82 IonicContact OD1-CG 3.3Å; D75-H82 IonicContact OD1-NE2 2.84Å |
| 76 | D | 97.6 | Very high | 97.3 | Very high | 63 Ų | 63 | 70.7 Ų | 70.7 | 34% | 0.337 | 36% | 0.357 | S | S | . | . | trans | -65.2 | 124.9 | -178.1 | -176 | -82 | 0 | 0 | 0 | 110.6 | N78 T79 F80 R81 | D76-N78 VanDerWaalsContact C-N 3.25Å; D76-N78 PolarHBondContact O-N 3.17Å; D76-N78 PolarHBondContact OD1-N 3.15Å; D76-T79 VanDerWaalsContact CB-OG1 3.28Å; D76-T79 WeakPolarHBondContact CB-OG1 3.41Å; D76-T79 WeakPolarHBondContact OD1-CB 3.35Å; D76-T79 PolarHBondContact OD1-N 2.83Å; D76-T79 PolarHBondContact OD1-OG1 2.94Å; D76-F80 WeakPolarHBondContact O-CA 3.37Å; D76-F80 PolarHBondContact O-N 3.23Å; D76-R81 PolarHBondContact N-O 2.93Å | ||
| 77 | R | 96.8 | Very high | 97.5 | Very high | 227 Ų | 227 | 69 Ų | 69 | 86% | 0.857 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -19.5 | -173 | -66.1 | -175.6 | 177.7 | -176.9 | 0.6 | 114.1 | D75 | D75-R77 PolarHBondContact O-N 2.76Š|
| 78 | N | 97.2 | Very high | 97.7 | Very high | 143 Ų | 143 | 65.8 Ų | 65.8 | 77% | 0.765 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -42.3 | -175.8 | -61.2 | -41.6 | 0 | 0 | 0 | 111.4 | D76 | D76-N78 VanDerWaalsContact C-N 3.25Å; D76-N78 PolarHBondContact O-N 3.17Å; D76-N78 PolarHBondContact OD1-N 3.15Å |
| 79 | T | 97.2 | Very high | 97.8 | Very high | 70 Ų | 70 | 68.5 Ų | 68.5 | 43% | 0.429 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -13.1 | -174.4 | 67.5 | 0 | 0 | 0 | 0 | 113.1 | D76 R81 | D76-T79 VanDerWaalsContact CB-OG1 3.28Å; D76-T79 WeakPolarHBondContact CB-OG1 3.41Å; D76-T79 WeakPolarHBondContact OD1-CB 3.35Å; D76-T79 PolarHBondContact OD1-N 2.83Å; D76-T79 PolarHBondContact OD1-OG1 2.94Å; T79-R81 PolarHBondContact O-N 2.78Å; T79-R81 VanDerWaalsContact O-N 3.07Å; T79-R81 PolarHBondContact OG1-N 2.83Å |
| 80 | F | 97.8 | Very high | 97.8 | Very high | 134 Ų | 134 | 64.5 Ų | 64.5 | 59% | 0.588 | 31% | 0.307 | S | S | * | . | trans | 58.4 | 14.3 | -174.6 | -49.1 | -70 | 0 | 0 | 0 | 114 | V40 D76 | V40-F80 VanDerWaalsContact CG1-O 3.29Å; V40-F80 WeakPolarHBondContact CG1-O 3.36Å; V40-F80 HydrophobicContact CG2-CB 4.11Å; V40-F80 WeakPolarHBondContact CG2-O 3.38Å; D76-F80 WeakPolarHBondContact O-CA 3.37Å; D76-F80 PolarHBondContact O-N 3.23Å | ||
| 81 | R | 98.5 | Very high | 97.7 | Very high | 44 Ų | 44 | 60.3 Ų | 60.3 | 17% | 0.166 | 30% | 0.297 | C | S | . | . | trans | -76.5 | 138.2 | 179.3 | -66.9 | -170.5 | -175.6 | -76.5 | -0.1 | 110.1 | M28 M37 E39 V40 D76 T79 | M28-R81 HydrophobicContact CE-CB 4.18Å; M28-R81 HydrophobicContact SD-CB 3.98Å; M28-R81 HydrophobicContact SD-CG 4.44Å; M37-R81 PolarHBondContact O-NH2 2.88Å; E39-R81 PolarHBondContact O-NH1 3.17Å; V40-R81 HydrophobicContact CG2-CG 4.35Å; D76-R81 PolarHBondContact N-O 2.93Å; T79-R81 PolarHBondContact O-N 2.78Å; T79-R81 VanDerWaalsContact O-N 3.07Å; T79-R81 PolarHBondContact OG1-N 2.83Å | ||
| 82 | H | 98.7 | Very high | 97.5 | Very high | 28 Ų | 28 | 67.5 Ų | 67.5 | 13% | 0.13 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 135.6 | 174.6 | -53.5 | 155.7 | 0 | 0 | 0 | 109.3 | H61 L74 D75 | H61-H82 AromaticContact CD2-CG 3.98Å; H61-H82 AromaticContact NE2-CG 3.88Å; L74-H82 WeakPolarHBondContact O-CA 3.29Å; D75-H82 IonicContact OD1-CD2 3.51Å; D75-H82 PolarHBondContact OD1-CD2 3.3Å; D75-H82 IonicContact OD1-CG 3.3Å; D75-H82 IonicContact OD1-NE2 2.84Å |
| 83 | S | 98.7 | Very high | 97.3 | Very high | 6 Ų | 6 | 70.8 Ų | 70.8 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 155.3 | 170.7 | 60.2 | 0 | 0 | 0 | 0 | 110.9 | R26 A27 L74 | R26-S83 PolarHBondContact NH1-OG 3.1Å; A27-S83 VanDerWaalsContact O-CA 3.32Å; A27-S83 WeakPolarHBondContact O-CA 3.43Å; A27-S83 WeakPolarHBondContact O-CB 3.25Å; L74-S83 PolarHBondContact N-O 3.27Å; L74-S83 PolarHBondContact O-N 2.9Å |
| 84 | V | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.006 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.8 | 173.6 | 61.4 | 0 | 0 | 0 | 0 | 108.5 | R26 A27 I63 V65 V71 Y73 Y102 | R26-V84 CarbonylContact C-O 3.52Å; R26-V84 WeakPolarHBondContact CA-O 3.45Å; A27-V84 HydrophobicContact CB-CG1 3.9Å; A27-V84 PolarHBondContact N-O 3.27Å; A27-V84 PolarHBondContact O-N 2.79Å; I63-V84 HydrophobicContact CB-CG1 4.19Å; I63-V84 HydrophobicContact CG2-CG1 3.8Å; V65-V84 HydrophobicContact CB-CG2 4.29Å; V65-V84 HydrophobicContact CG2-CG1 4.03Å; V65-V84 HydrophobicContact CG2-CG2 3.64Å; V71-V84 HydrophobicContact CG2-CG2 3.24Å; Y73-V84 HydrophobicContact CD1-CB 3.87Å; Y73-V84 HydrophobicContact CD1-CG2 3.79Å; Y73-V84 HydrophobicContact CE1-CB 3.81Å; Y73-V84 HydrophobicContact CE1-CG2 3.48Å; Y73-V84 VanDerWaalsContact CE1-CG2 3.48Å; Y73-V84 HydrophobicContact CG-CG2 4.46Å; V84-Y102 HydrophobicContact CG1-CE1 4.18Å |
| 85 | V | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 137.6 | -174.4 | -168.2 | 0 | 0 | 0 | 0 | 110.1 | R24 V25 R26 V71 E72 L74 | R24-V85 HydrophobicContact CB-CG1 3.71Å; R24-V85 HydrophobicContact CG-CG1 4.42Å; R24-V85 VanDerWaalsContact NH2-CG1 3.26Å; V25-V85 VanDerWaalsContact O-CA 3.3Å; V25-V85 WeakPolarHBondContact O-CA 3.46Å; R26-V85 HydrophobicContact CB-CG1 4.43Å; R26-V85 HydrophobicContact CB-CG2 3.89Å; R26-V85 HydrophobicContact CG-CG2 3.87Å; R26-V85 VanDerWaalsContact CZ-CG2 3.46Å; V71-V85 WeakPolarHBondContact CA-O 3.46Å; E72-V85 PolarHBondContact N-O 3.27Å; E72-V85 PolarHBondContact O-N 2.87Å; L74-V85 HydrophobicContact CD1-CB 4.39Å; L74-V85 HydrophobicContact CD1-CG2 3.78Å |
| 86 | V | 98.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 74.9 Ų | 74.9 | 1% | 0.012 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 154.4 | 170.2 | -68.8 | 0 | 0 | 0 | 0 | 110.4 | R24 V25 V65 N68 V71 I100 | R24-V86 CarbonylContact C-O 3.55Å; R24-V86 WeakPolarHBondContact CA-O 3.41Å; V25-V86 HydrophobicContact CB-CG2 4.24Å; V25-V86 PolarHBondContact N-O 3.46Å; V25-V86 PolarHBondContact O-N 3.23Å; V65-V86 HydrophobicContact CB-CG1 4.33Å; V65-V86 HydrophobicContact CG1-CG1 3.97Å; V65-V86 HydrophobicContact CG2-CG1 4.22Å; N68-V86 HydrophobicContact CB-CG1 4.14Å; V71-V86 HydrophobicContact CB-CG1 4.01Å; V71-V86 HydrophobicContact CG2-CG1 4.08Å; V86-I100 HydrophobicContact CG2-CD1 3.47Å; V86-I100 VanDerWaalsContact CG2-CD1 3.47Å; V86-I100 HydrophobicContact CG2-CG1 4.19Å |
| 87 | P | 98.3 | Very high | 96.8 | Very high | 30 Ų | 30 | 72.4 Ų | 72.4 | 20% | 0.195 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 139.8 | 167.2 | -22.6 | 34.6 | 0 | 0 | 0 | 110.5 | R70 E89 | R70-P87 HydrophobicContact CB-CG 3.76Å; R70-P87 WeakPolarHBondContact O-CD 3.46Å; P87-E89 PolarHBondContact O-N 3.34Å |
| 88 | Y | 98 | Very high | 96.8 | Very high | 22 Ų | 22 | 62.4 Ų | 62.4 | 9% | 0.086 | 36% | 0.356 | C | S | . | . | trans | -68.8 | 127.5 | 166.1 | 172.7 | -93.4 | 0 | 0 | 0 | 109 | L13 V15 P19 T23 V25 P90 L125 | L13-Y88 HydrophobicContact CD1-CD2 4.34Å; V15-Y88 HydrophobicContact CG1-CE2 4.37Å; V15-Y88 VanDerWaalsContact CG2-OH 3.27Å; V15-Y88 WeakPolarHBondContact CG2-OH 3.48Å; P19-Y88 VanDerWaalsContact CD-CE1 3.45Å; P19-Y88 HydrophobicContact CG-CD1 3.44Å; P19-Y88 VanDerWaalsContact CG-CD1 3.44Å; P19-Y88 HydrophobicContact CG-CD2 4.38Å; P19-Y88 HydrophobicContact CG-CE1 3.33Å; P19-Y88 HydrophobicContact CG-CE2 4.29Å; P19-Y88 HydrophobicContact CG-CG 3.98Å; T23-Y88 HydrophobicContact CG2-CG 4.23Å; T23-Y88 WeakPolarHBondContact O-CB 3.43Å; T23-Y88 PolarHBondContact O-N 3.21Å; V25-Y88 HydrophobicContact CG2-CD2 4.19Å; Y88-P90 HydrophobicContact CE1-CB 4.38Å; Y88-P90 HydrophobicContact CE1-CG 4.06Å; Y88-L125 HydrophobicContact CD2-CD1 4.08Å; Y88-L125 HydrophobicContact CG-CD1 4.45Å | ||
| 89 | E | 96.6 | Very high | 96.8 | Very high | 88 Ų | 88 | 58 Ų | 58 | 41% | 0.411 | 33% | 0.334 | S | S | . | . | trans | -108.5 | 127.8 | 170.7 | -69.3 | 176.2 | -179.9 | 0 | 0 | 107.7 | R70 P87 T98 | R70-E89 IonicContact CZ-OE1 3.04Å; R70-E89 IonicContact NE-OE1 3.37Å; R70-E89 VanDerWaalsContact NH2-CD 3.33Å; R70-E89 IonicContact NH2-OE1 3.79Å; R70-E89 PolarHBondContact NH2-OE1 3.39Å; P87-E89 PolarHBondContact O-N 3.34Å; E89-T98 HydrophobicContact CB-CG2 4.46Å; E89-T98 WeakPolarHBondContact O-CB 3.24Å; E89-T98 VanDerWaalsContact O-CG2 3.29Å; E89-T98 WeakPolarHBondContact O-CG2 3.46Å; E89-T98 PolarHBondContact O-OG1 3.06Å | ||
| 90 | P | 95.6 | Very high | 96.8 | Very high | 78 Ų | 78 | 55.3 Ų | 55.3 | 51% | 0.506 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 152.5 | 170.6 | -22.7 | 33.2 | 0 | 0 | 0 | 111.5 | T18 Y88 | T18-P90 HydrophobicContact CG2-CG 4.35Å; Y88-P90 HydrophobicContact CE1-CB 4.38Å; Y88-P90 HydrophobicContact CE1-CG 4.06Å |
| 91 | P | 96 | Very high | 96.8 | Very high | 42 Ų | 42 | 52.5 Ų | 52.5 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 142.4 | 178.1 | -25.5 | 34 | 0 | 0 | 0 | 112.1 | S95 | P91-S95 VanDerWaalsContact CB-O 3.26Å; P91-S95 WeakPolarHBondContact CB-O 3.32Å |
| 92 | E | 93.2 | Very high | 96.8 | Very high | 166 Ų | 166 | 50.4 Ų | 50.4 | 78% | 0.776 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 155.3 | 171.4 | -66.3 | -173.4 | 174.2 | 0 | 0 | 110.9 | G94 S95 | E92-G94 PolarHBondContact O-N 2.88Å; E92-G94 VanDerWaalsContact O-N 3.08Å; E92-S95 WeakPolarHBondContact O-CB 3.33Å; E92-S95 PolarHBondContact O-N 2.64Å |
| 93 | V | 93.8 | Very high | 96.8 | Very high | 161 Ų | 161 | 49.9 Ų | 49.9 | 98% | 0.976 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 118.8 | 179 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 94 | G | 94.8 | Very high | 96.8 | Very high | 83 Ų | 83 | 49.6 Ų | 49.6 | 86% | 0.856 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.6 | -1.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | E92 | E92-G94 PolarHBondContact O-N 2.88Å; E92-G94 VanDerWaalsContact O-N 3.08Å |
| 95 | S | 95.2 | Very high | 96.8 | Very high | 54 Ų | 54 | 50.2 Ų | 50.2 | 38% | 0.378 | 30% | 0.297 | S | S | . | . | trans | -104.8 | 143.3 | 169.6 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | P91 E92 C97 | P91-S95 VanDerWaalsContact CB-O 3.26Å; P91-S95 WeakPolarHBondContact CB-O 3.32Å; E92-S95 WeakPolarHBondContact O-CB 3.33Å; E92-S95 PolarHBondContact O-N 2.64Å; S95-C97 PolarHBondContact OG-N 3.3Å; S95-C97 PolarHBondContact OG-O 2.84Å | ||
| 96 | D | 95.3 | Very high | 96.8 | Very high | 130 Ų | 130 | 50.2 Ų | 50.2 | 70% | 0.695 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -87.1 | -12.6 | 174.2 | -60 | -42.1 | 0 | 0 | 0 | 112.8 | W14 | W14-D96 HydrophobicContact CE3-CB 4.38Å; W14-D96 HydrophobicContact CH2-CB 3.8Å; W14-D96 HydrophobicContact CZ3-CB 3.53Å |
| 97 | C | 96 | Very high | 96.8 | Very high | 11 Ų | 11 | 52 Ų | 52 | 7% | 0.074 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -146.7 | 162.4 | -174.2 | 69.8 | 0 | 0 | 0 | 0 | 113.3 | L13 W14 S95 | L13-C97 WeakPolarHBondContact O-CB 3.39Å; W14-C97 HydrophobicContact CD2-CB 3.75Å; W14-C97 HydrophobicContact CE3-CB 4.29Å; W14-C97 HydrophobicContact CG-CB 4.03Å; W14-C97 HydrophobicContact CH2-CB 4.5Å; W14-C97 HydrophobicContact CZ2-CB 3.98Å; S95-C97 PolarHBondContact OG-N 3.3Å; S95-C97 PolarHBondContact OG-O 2.84Å |
| 98 | T | 96 | Very high | 96.8 | Very high | 18 Ų | 18 | 51 Ų | 51 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 140 | 172.4 | -60.7 | 0 | 0 | 0 | 0 | 109.4 | Q12 L13 E89 | Q12-T98 CarbonylContact C-O 3.51Å; Q12-T98 WeakPolarHBondContact CA-O 3.48Å; L13-T98 PolarHBondContact N-O 3.24Å; L13-T98 PolarHBondContact O-N 3.09Å; E89-T98 HydrophobicContact CB-CG2 4.46Å; E89-T98 WeakPolarHBondContact O-CB 3.24Å; E89-T98 VanDerWaalsContact O-CG2 3.29Å; E89-T98 WeakPolarHBondContact O-CG2 3.46Å; E89-T98 PolarHBondContact O-OG1 3.06Å |
| 99 | T | 97.2 | Very high | 96.8 | Very high | 50 Ų | 50 | 52.9 Ų | 52.9 | 31% | 0.307 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 129.9 | 179.8 | -60.2 | 0 | 0 | 0 | 0 | 111 | P10 V11 | P10-T99 HydrophobicContact CB-CG2 3.76Å; V11-T99 WeakPolarHBondContact O-CA 3.45Å |
| 100 | I | 98.1 | Very high | 96.9 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 131.7 | 167.6 | -60.5 | 173.4 | 0 | 0 | 0 | 108.9 | V11 L13 V25 V65 V86 Y102 | V11-I100 PolarHBondContact N-O 3.34Å; V11-I100 PolarHBondContact O-N 3.21Å; L13-I100 HydrophobicContact CD1-CD1 3.7Å; L13-I100 HydrophobicContact CD1-CG1 4.09Å; L13-I100 HydrophobicContact CG-CD1 4.47Å; V25-I100 HydrophobicContact CB-CD1 3.76Å; V25-I100 HydrophobicContact CG1-CD1 3.6Å; V25-I100 HydrophobicContact CG2-CD1 4.16Å; V65-I100 HydrophobicContact CG1-CG2 3.94Å; V65-I100 HydrophobicContact CG2-CG2 4.07Å; V86-I100 HydrophobicContact CG2-CD1 3.47Å; V86-I100 VanDerWaalsContact CG2-CD1 3.47Å; V86-I100 HydrophobicContact CG2-CG1 4.19Å; I100-Y102 HydrophobicContact CB-CD2 4.42Å; I100-Y102 HydrophobicContact CB-CE2 3.82Å; I100-Y102 HydrophobicContact CG2-CD1 4.15Å; I100-Y102 HydrophobicContact CG2-CD2 4.03Å; I100-Y102 HydrophobicContact CG2-CE1 3.72Å; I100-Y102 HydrophobicContact CG2-CE2 3.6Å; I100-Y102 HydrophobicContact CG2-CG 4.3Å; I100-Y102 VanDerWaalsContact CG2-CZ 3.42Å |
| 101 | H | 98.2 | Very high | 97 | Very high | 75 Ų | 75 | 53.4 Ų | 53.4 | 35% | 0.347 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 106.5 | 176.7 | -62.1 | 116.5 | 0 | 0 | 0 | 110.1 | T8 V65 E66 | T8-H101 HydrophobicContact CG2-CB 4.02Å; V65-H101 WeakPolarHBondContact CA-O 3.28Å; E66-H101 HydrophobicContact CG-CB 3.27Å; E66-H101 PolarHBondContact N-O 3.42Å; E66-H101 IonicContact OE1-CG 3.07Å |
| 102 | Y | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 154.8 | 177.1 | -66.3 | -73.3 | 0 | 0 | 0 | 111.9 | C9 V11 A27 I63 R64 V65 V84 I100 I123 | C9-Y102 VanDerWaalsContact CB-O 3.3Å; C9-Y102 WeakPolarHBondContact CB-O 3.31Å; C9-Y102 PolarHBondContact N-O 2.81Å; C9-Y102 PolarHBondContact O-N 2.98Å; V11-Y102 HydrophobicContact CB-CD2 3.92Å; V11-Y102 HydrophobicContact CB-CE2 3.85Å; V11-Y102 HydrophobicContact CG1-CE2 4.35Å; V11-Y102 HydrophobicContact CG2-CD2 3.61Å; V11-Y102 HydrophobicContact CG2-CE2 3.97Å; A27-Y102 HydrophobicContact CB-CD1 4.27Å; A27-Y102 HydrophobicContact CB-CE1 3.48Å; A27-Y102 VanDerWaalsContact CB-CE1 3.48Å; I63-Y102 HydrophobicContact CG2-CD1 3.6Å; I63-Y102 HydrophobicContact CG2-CE1 4.27Å; I63-Y102 HydrophobicContact CG2-CG 4.28Å; R64-Y102 CarbonylContact O-C 3.56Å; R64-Y102 VanDerWaalsContact O-CA 3.25Å; R64-Y102 WeakPolarHBondContact O-CA 3.29Å; V65-Y102 HydrophobicContact CG2-CD1 3.67Å; V65-Y102 HydrophobicContact CG2-CE1 3.53Å; V84-Y102 HydrophobicContact CG1-CE1 4.18Å; I100-Y102 HydrophobicContact CB-CD2 4.42Å; I100-Y102 HydrophobicContact CB-CE2 3.82Å; I100-Y102 HydrophobicContact CG2-CD1 4.15Å; I100-Y102 HydrophobicContact CG2-CD2 4.03Å; I100-Y102 HydrophobicContact CG2-CE1 3.72Å; I100-Y102 HydrophobicContact CG2-CE2 3.6Å; I100-Y102 HydrophobicContact CG2-CG 4.3Å; I100-Y102 VanDerWaalsContact CG2-CZ 3.42Å; Y102-I123 HydrophobicContact CE2-CD1 4.1Å |
| 103 | N | 98.4 | Very high | 97.2 | Very high | 17 Ų | 17 | 46.1 Ų | 46.1 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 139.9 | 165.5 | -48 | 117.2 | 0 | 0 | 0 | 110.5 | K7 T8 I63 R64 E66 M105 | K7-N103 PolarHBondContact O-ND2 2.69Å; T8-N103 PolarHBondContact N-ND2 3.42Å; I63-N103 WeakPolarHBondContact CA-O 2.96Å; R64-N103 HydrophobicContact CB-CB 4.41Å; R64-N103 PolarHBondContact N-O 2.72Å; R64-N103 PolarHBondContact O-N 2.86Å; E66-N103 PolarHBondContact OE2-ND2 3.44Å; E66-N103 PolarHBondContact OE2-OD1 3.01Å; N103-M105 HydrophobicContact CB-SD 3.6Å |
| 104 | Y | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 116.4 | 173.4 | -65.4 | -94.1 | 0 | 0 | 0 | 110.2 | M1 A6 C9 L62 I63 C106 T121 V140 V142 | M1-Y104 HydrophobicContact SD-CE2 3.88Å; A6-Y104 PolarHBondContact N-O 2.92Å; C9-Y104 HydrophobicContact CB-CD2 4.49Å; C9-Y104 HydrophobicContact CB-CE2 4.21Å; L62-Y104 HydrophobicContact CD2-CD1 4.48Å; L62-Y104 HydrophobicContact CG-CD1 4.35Å; L62-Y104 WeakPolarHBondContact O-CA 3.5Å; I63-Y104 HydrophobicContact CD1-CE1 4.06Å; I63-Y104 HydrophobicContact CG1-CD1 4.14Å; I63-Y104 HydrophobicContact CG1-CE1 3.81Å; Y104-C106 VanDerWaalsContact C-N 3.31Å; Y104-C106 PolarHBondContact O-N 3.42Å; Y104-T121 WeakPolarHBondContact CE1-OG1 3.49Å; Y104-T121 WeakPolarHBondContact OH-CB 3.14Å; Y104-T121 PolarHBondContact OH-OG1 2.86Å; Y104-V140 HydrophobicContact CD1-CG1 3.94Å; Y104-V140 HydrophobicContact CD2-CG1 4.16Å; Y104-V140 HydrophobicContact CE1-CB 4.19Å; Y104-V140 HydrophobicContact CE1-CG1 3.79Å; Y104-V140 HydrophobicContact CE1-CG2 3.95Å; Y104-V140 HydrophobicContact CE2-CG1 4.03Å; Y104-V140 HydrophobicContact CE2-CG2 4.45Å; Y104-V140 HydrophobicContact CG-CG1 4.13Å; Y104-V140 WeakPolarHBondContact OH-CG2 3.46Å; Y104-V142 VanDerWaalsContact CB-CG2 3.45Å; Y104-V142 HydrophobicContact CD1-CG2 4.28Å; Y104-V142 HydrophobicContact CG-CG2 3.93Å |
| 105 | M | 98.2 | Very high | 97.5 | Very high | 14 Ų | 14 | 38.5 Ų | 38.5 | 7% | 0.069 | 23% | 0.227 | C | C | . | . | trans | -95.1 | 18.8 | -163.5 | -53 | -49 | -68.2 | 0 | 0 | 113.9 | L5 A6 R43 L62 R64 N103 | L5-M105 VanDerWaalsContact CD1-C 3.43Å; A6-M105 HydrophobicContact CB-CE 3.69Å; A6-M105 HydrophobicContact CB-SD 3.91Å; R43-M105 HydrophobicContact CG-CB 4.34Å; R43-M105 PolarHBondContact NE-O 2.73Å; R43-M105 PolarHBondContact NH2-O 2.87Å; L62-M105 WeakPolarHBondContact O-CG 3.26Å; L62-M105 PolarHBondContact O-N 3.26Å; R64-M105 HydrophobicContact CB-CG 4.38Å; R64-M105 HydrophobicContact CG-CG 3.67Å; R64-M105 HydrophobicContact CG-SD 4.28Å; N103-M105 HydrophobicContact CB-SD 3.6Å | ||
| 106 | C | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -153.9 | 138.1 | 176.9 | -126.2 | 0 | 0 | 0 | 0 | 109.7 | L5 R43 C44 H47 L62 Y104 C110 M114 V142 | L5-C106 VanDerWaalsContact CD1-N 3.32Å; R43-C106 HydrophobicContact CG-CB 4.47Å; C44-C106 PolarHBondContact N-SG 3.04Å; C44-C106 VanDerWaalsContact SG-SG 3.62Å; H47-C106 PolarHBondContact ND1-SG 2.76Å; L62-C106 HydrophobicContact CD1-CB 3.45Å; L62-C106 VanDerWaalsContact CD1-CB 3.45Å; Y104-C106 VanDerWaalsContact C-N 3.31Å; Y104-C106 PolarHBondContact O-N 3.42Å; C106-C110 VanDerWaalsContact SG-SG 3.66Å; C106-M114 HydrophobicContact CB-CE 4.01Å; C106-M114 WeakPolarHBondContact O-CE 3.39Å; C106-V142 VanDerWaalsContact O-CB 3.29Å; C106-V142 WeakPolarHBondContact O-CB 3.48Å; C106-V142 VanDerWaalsContact O-CG1 3.32Å; C106-V142 WeakPolarHBondContact O-CG1 3.48Å; C106-V142 WeakPolarHBondContact O-CG2 3.38Å |
| 107 | N | 98.5 | Very high | 97.8 | Very high | 38 Ų | 38 | 40.8 Ų | 40.8 | 20% | 0.203 | 22% | 0.218 | C | C | . | . | trans | -67.8 | 146.7 | 169 | -71.9 | -51.6 | 0 | 0 | 0 | 110.1 | S109 C110 M114 | N107-S109 PolarHBondContact O-N 3.33Å; N107-S109 VanDerWaalsContact O-N 3.08Å; N107-C110 PolarHBondContact N-SG 2.98Å; N107-C110 VanDerWaalsContact N-SG 3.42Å; N107-C110 VanDerWaalsContact O-CB 3.29Å; N107-C110 WeakPolarHBondContact O-CB 3.5Å; N107-C110 PolarHBondContact O-N 2.76Å; N107-C110 PolarHBondContact O-SG 2.73Å; N107-M114 WeakPolarHBondContact O-CE 3.36Å | ||
| 108 | S | 98.5 | Very high | 97.9 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 8% | 0.077 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -27.9 | 175.2 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | M114 N115 R116 V142 | S108-M114 WeakPolarHBondContact O-CB 3.43Å; S108-N115 PolarHBondContact O-N 2.98Å; S108-R116 VanDerWaalsContact O-CA 3.25Å; S108-R116 WeakPolarHBondContact O-CA 3.3Å; S108-R116 PolarHBondContact O-N 3.37Å; S108-V142 PolarHBondContact N-O 2.96Å; S108-V142 PolarHBondContact OG-N 2.95Å; S108-V142 PolarHBondContact OG-O 3.08Å |
| 109 | S | 98.3 | Very high | 98.1 | Very high | 60 Ų | 60 | 41 Ų | 41 | 42% | 0.42 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -2.9 | 177.8 | 58.1 | 0 | 0 | 0 | 0 | 115.5 | N107 M111 | N107-S109 PolarHBondContact O-N 3.33Å; N107-S109 VanDerWaalsContact O-N 3.08Å; S109-M111 PolarHBondContact O-N 3.06Å; S109-M111 VanDerWaalsContact O-N 3.16Å |
| 110 | C | 98.2 | Very high | 98.1 | Very high | 16 Ų | 16 | 40.4 Ų | 40.4 | 11% | 0.108 | 21% | 0.214 | C | C | . | . | trans | -60.3 | 119.3 | -176 | -79.2 | 0 | 0 | 0 | 0 | 112 | C44 H47 C106 N107 G113 N115 | C44-C110 HydrophobicContact CB-CB 3.86Å; H47-C110 PolarHBondContact CE1-SG 3.18Å; H47-C110 PolarHBondContact ND1-SG 2.78Å; H47-C110 VanDerWaalsContact ND1-SG 3.45Å; C106-C110 VanDerWaalsContact SG-SG 3.66Å; N107-C110 PolarHBondContact N-SG 2.98Å; N107-C110 VanDerWaalsContact N-SG 3.42Å; N107-C110 VanDerWaalsContact O-CB 3.29Å; N107-C110 WeakPolarHBondContact O-CB 3.5Å; N107-C110 PolarHBondContact O-N 2.76Å; N107-C110 PolarHBondContact O-SG 2.73Å; C110-G113 PolarHBondContact O-N 2.94Å; C110-N115 WeakPolarHBondContact O-CA 3.45Å; C110-N115 PolarHBondContact O-N 3.44Å | ||
| 111 | M | 97.8 | Very high | 98.2 | Very high | 161 Ų | 161 | 39.8 Ų | 39.8 | 79% | 0.793 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 136.2 | 176.2 | -172.3 | 175.2 | 71.3 | 0 | 0 | 110.7 | C44 S109 G113 | C44-M111 VanDerWaalsContact CB-O 3.27Å; C44-M111 WeakPolarHBondContact CB-O 3.13Å; S109-M111 PolarHBondContact O-N 3.06Å; S109-M111 VanDerWaalsContact O-N 3.16Å; M111-G113 PolarHBondContact O-N 2.86Å |
| 112 | G | 96.1 | Very high | 98.2 | Very high | 54 Ų | 54 | 37.7 Ų | 37.7 | 56% | 0.557 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | -1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 113 | G | 97 | Very high | 98.2 | Very high | 2 Ų | 2 | 38 Ų | 38 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -119.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y31 C110 M111 N115 R117 | Y31-G113 PolarHBondContact OH-O 3.22Å; C110-G113 PolarHBondContact O-N 2.94Å; M111-G113 PolarHBondContact O-N 2.86Å; G113-N115 PolarHBondContact O-N 2.98Å; G113-R117 PolarHBondContact O-NH2 3.02Å |
| 114 | M | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -33.8 | 175.6 | -73.4 | -172.1 | -81.8 | 0 | 0 | 113.5 | Y31 V41 L62 C106 N107 S108 R116 R117 I119 V142 | Y31-M114 HydrophobicContact CE1-CB 4.38Å; Y31-M114 HydrophobicContact CE1-CG 4.25Å; Y31-M114 WeakPolarHBondContact OH-CA 3.21Å; V41-M114 HydrophobicContact CG1-CG 4.38Å; L62-M114 HydrophobicContact CD1-CE 3.91Å; L62-M114 HydrophobicContact CD2-CE 4.13Å; L62-M114 HydrophobicContact CD2-SD 3.99Å; C106-M114 HydrophobicContact CB-CE 4.01Å; C106-M114 WeakPolarHBondContact O-CE 3.39Å; N107-M114 WeakPolarHBondContact O-CE 3.36Å; S108-M114 WeakPolarHBondContact O-CB 3.43Å; M114-R116 PolarHBondContact O-N 2.8Å; M114-R117 WeakPolarHBondContact O-CB 3.35Å; M114-R117 WeakPolarHBondContact O-CG 3.38Å; M114-R117 PolarHBondContact O-N 2.99Å; M114-R117 PolarHBondContact O-NE 3.09Å; M114-I119 HydrophobicContact CG-CG2 4.11Å; M114-I119 HydrophobicContact SD-CB 4.49Å; M114-I119 HydrophobicContact SD-CD1 3.66Å; M114-I119 HydrophobicContact SD-CG1 3.9Å; M114-I119 HydrophobicContact SD-CG2 3.76Å; M114-V142 HydrophobicContact CE-CG2 4.35Å |
| 115 | N | 98 | Very high | 98.2 | Very high | 83 Ų | 83 | 39 Ų | 39 | 44% | 0.444 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 50.3 | 173 | -163.8 | 34.4 | 0 | 0 | 0 | 114.4 | S108 C110 G113 R117 | S108-N115 PolarHBondContact O-N 2.98Å; C110-N115 WeakPolarHBondContact O-CA 3.45Å; C110-N115 PolarHBondContact O-N 3.44Å; G113-N115 PolarHBondContact O-N 2.98Å; N115-R117 PolarHBondContact O-N 3.15Å |
| 116 | R | 97.9 | Very high | 98.2 | Very high | 199 Ų | 199 | 39.2 Ų | 39.2 | 75% | 0.751 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 10.3 | -179.3 | -53.7 | 174.2 | -178.8 | -94 | 0.3 | 115.2 | S108 M114 | S108-R116 VanDerWaalsContact O-CA 3.25Å; S108-R116 WeakPolarHBondContact O-CA 3.3Å; S108-R116 PolarHBondContact O-N 3.37Å; M114-R116 PolarHBondContact O-N 2.8Å |
| 117 | R | 98.3 | Very high | 98.2 | Very high | 34 Ų | 34 | 40.8 Ų | 40.8 | 13% | 0.128 | 22% | 0.218 | C | C | . | . | trans | -83.2 | 130.3 | 174.6 | -59.9 | 171.6 | -72.7 | 177.3 | -0.8 | 109.9 | Y31 H36 E39 G113 M114 N115 | Y31-R117 HydrophobicContact CD1-CB 3.68Å; Y31-R117 HydrophobicContact CE1-CB 3.78Å; Y31-R117 PolarHBondContact OH-NH2 3.13Å; H36-R117 WeakPolarHBondContact CD2-CD 3.3Å; H36-R117 WeakPolarHBondContact NE2-CD 3.44Å; E39-R117 IonicContact OE1-CZ 3.15Å; E39-R117 VanDerWaalsContact OE1-CZ 3.32Å; E39-R117 IonicContact OE1-NH1 2.71Å; E39-R117 PolarHBondContact OE1-NH1 3.27Å; E39-R117 IonicContact OE1-NH2 2.97Å; E39-R117 PolarHBondContact OE1-NH2 2.96Å; E39-R117 IonicContact OE2-CZ 3.36Å; E39-R117 IonicContact OE2-NH1 3.33Å; E39-R117 PolarHBondContact OE2-NH1 3.21Å; E39-R117 IonicContact OE2-NH2 2.68Å; G113-R117 PolarHBondContact O-NH2 3.02Å; M114-R117 WeakPolarHBondContact O-CB 3.35Å; M114-R117 WeakPolarHBondContact O-CG 3.38Å; M114-R117 PolarHBondContact O-N 2.99Å; M114-R117 PolarHBondContact O-NE 3.09Å; N115-R117 PolarHBondContact O-N 3.15Å | ||
| 118 | P | 98.3 | Very high | 98.1 | Very high | 32 Ų | 32 | 43.2 Ų | 43.2 | 21% | 0.208 | 24% | 0.238 | C | C | . | . | trans | -68.2 | 145.5 | 178.5 | 26.5 | -32.3 | 0 | 0 | 0 | 111.2 | K32 Q33 E139 | K32-P118 HydrophobicContact CB-CB 4.16Å; K32-P118 HydrophobicContact CB-CG 4.13Å; K32-P118 HydrophobicContact CD-CB 4.29Å; K32-P118 HydrophobicContact CD-CG 4.45Å; K32-P118 PolarHBondContact N-O 3.05Å; Q33-P118 HydrophobicContact CG-CG 4.09Å; P118-E139 WeakPolarHBondContact CB-OE1 3.18Å | ||
| 119 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 152 | 178.9 | 58.6 | 158.6 | 0 | 0 | 0 | 111.2 | A29 I30 Y31 V41 L62 M114 E139 V140 | A29-I119 HydrophobicContact CB-CD1 4.45Å; I30-I119 CarbonylContact O-C 3.58Å; I30-I119 WeakPolarHBondContact O-CA 3.37Å; I30-I119 WeakPolarHBondContact O-CB 3.35Å; Y31-I119 HydrophobicContact CD1-CG2 3.65Å; Y31-I119 HydrophobicContact CE1-CG2 3.87Å; V41-I119 HydrophobicContact CG1-CG2 4.24Å; V41-I119 HydrophobicContact CG2-CG2 4.09Å; L62-I119 HydrophobicContact CD2-CD1 3.63Å; M114-I119 HydrophobicContact CG-CG2 4.11Å; M114-I119 HydrophobicContact SD-CB 4.49Å; M114-I119 HydrophobicContact SD-CD1 3.66Å; M114-I119 HydrophobicContact SD-CG1 3.9Å; M114-I119 HydrophobicContact SD-CG2 3.76Å; I119-E139 WeakPolarHBondContact O-CA 3.16Å; I119-V140 HydrophobicContact CD1-CB 4.1Å; I119-V140 HydrophobicContact CG1-CB 4.11Å; I119-V140 WeakPolarHBondContact CG1-O 3.49Å; I119-V140 PolarHBondContact O-N 3.42Å |
| 120 | L | 98.8 | Very high | 97.7 | Very high | 39 Ų | 39 | 46.5 Ų | 46.5 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 137.4 | 164.1 | -58.5 | 177.1 | 0 | 0 | 0 | 108.2 | A29 I30 K32 F138 E139 | A29-L120 WeakPolarHBondContact CA-O 3.27Å; I30-L120 HydrophobicContact CD1-CD1 4.4Å; I30-L120 HydrophobicContact CG1-CB 3.99Å; I30-L120 PolarHBondContact N-O 3.06Å; I30-L120 PolarHBondContact O-N 3.49Å; K32-L120 HydrophobicContact CB-CD2 4.34Å; K32-L120 HydrophobicContact CB-CG 4.03Å; K32-L120 HydrophobicContact CD-CD2 4.23Å; K32-L120 HydrophobicContact CG-CD1 4.48Å; K32-L120 HydrophobicContact CG-CD2 4.19Å; K32-L120 HydrophobicContact CG-CG 4.23Å; L120-F138 WeakPolarHBondContact CA-O 3.4Å; L120-E139 HydrophobicContact CD2-CB 3.88Å |
| 121 | T | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 122.1 | 159.3 | -65.3 | 0 | 0 | 0 | 0 | 107.6 | A27 M28 I63 Y104 I123 S137 F138 V140 | A27-T121 HydrophobicContact CB-CG2 4.31Å; M28-T121 WeakPolarHBondContact O-CA 3.3Å; I63-T121 HydrophobicContact CD1-CG2 3.93Å; Y104-T121 WeakPolarHBondContact CE1-OG1 3.49Å; Y104-T121 WeakPolarHBondContact OH-CB 3.14Å; Y104-T121 PolarHBondContact OH-OG1 2.86Å; T121-I123 HydrophobicContact CG2-CD1 3.63Å; T121-I123 HydrophobicContact CG2-CG1 4.31Å; T121-S137 CarbonylContact O-C 3.47Å; T121-S137 WeakPolarHBondContact O-CA 3.39Å; T121-S137 WeakPolarHBondContact O-CB 3.34Å; T121-F138 HydrophobicContact CG2-CE1 4.22Å; T121-F138 HydrophobicContact CG2-CE2 4.36Å; T121-F138 HydrophobicContact CG2-CZ 3.83Å; T121-F138 PolarHBondContact N-O 3.39Å; T121-F138 PolarHBondContact O-N 3.3Å; T121-V140 WeakPolarHBondContact OG1-CG2 3.47Å |
| 122 | I | 98.7 | Very high | 97.7 | Very high | 30 Ų | 30 | 47.5 Ų | 47.5 | 15% | 0.154 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125.7 | 172 | -58.2 | 175.4 | 0 | 0 | 0 | 106.9 | A27 M28 I30 T124 R135 | A27-I122 WeakPolarHBondContact CA-O 3.13Å; M28-I122 PolarHBondContact N-O 3.22Å; M28-I122 PolarHBondContact O-N 3.48Å; I30-I122 HydrophobicContact CD1-CD1 3.63Å; I30-I122 HydrophobicContact CD1-CG1 4.44Å; I30-I122 HydrophobicContact CG1-CD1 3.91Å; I30-I122 HydrophobicContact CG1-CG1 4.35Å; I30-I122 HydrophobicContact CG2-CD1 4.27Å; I122-T124 HydrophobicContact CG2-CG2 4.1Å; I122-R135 HydrophobicContact CG2-CG 3.81Å |
| 123 | I | 98.8 | Very high | 97.8 | Very high | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 125.3 | 171.2 | -54.6 | -57.6 | 0 | 0 | 0 | 107.7 | L13 V25 R26 A27 Y102 T121 R135 N136 F138 L198 | L13-I123 HydrophobicContact CD2-CG2 4.26Å; V25-I123 HydrophobicContact CG1-CG2 3.73Å; R26-I123 CarbonylContact O-C 3.56Å; R26-I123 VanDerWaalsContact O-CA 3.27Å; R26-I123 WeakPolarHBondContact O-CA 3.49Å; A27-I123 HydrophobicContact CB-CD1 3.51Å; Y102-I123 HydrophobicContact CE2-CD1 4.1Å; T121-I123 HydrophobicContact CG2-CD1 3.63Å; T121-I123 HydrophobicContact CG2-CG1 4.31Å; I123-R135 WeakPolarHBondContact O-CA 3.46Å; I123-N136 PolarHBondContact N-O 3.47Å; I123-N136 PolarHBondContact O-N 2.88Å; I123-N136 VanDerWaalsContact O-O 3.08Å; I123-F138 HydrophobicContact CD1-CE1 4.37Å; I123-F138 HydrophobicContact CG1-CE1 3.84Å; I123-L198 HydrophobicContact CB-CD1 3.94Å; I123-L198 HydrophobicContact CG1-CD1 3.76Å; I123-L198 HydrophobicContact CG2-CD1 4.13Å |
| 124 | T | 98.7 | Very high | 97.8 | Very high | 16 Ų | 16 | 47.4 Ų | 47.4 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.5 | 174.1 | 45.6 | 0 | 0 | 0 | 0 | 110.3 | V25 R26 I122 E126 L132 G134 R135 | V25-T124 WeakPolarHBondContact CA-O 3.43Å; R26-T124 WeakPolarHBondContact CB-OG1 3.43Å; R26-T124 PolarHBondContact N-O 2.82Å; R26-T124 PolarHBondContact O-N 2.91Å; I122-T124 HydrophobicContact CG2-CG2 4.1Å; T124-E126 PolarHBondContact OG1-OE1 3.27Å; T124-L132 HydrophobicContact CG2-CD1 3.54Å; T124-G134 WeakPolarHBondContact CA-O 3.41Å; T124-R135 HydrophobicContact CG2-CB 4.15Å; T124-R135 HydrophobicContact CG2-CG 3.82Å |
| 125 | L | 98.6 | Very high | 97.8 | Very high | 24 Ų | 24 | 54.8 Ų | 54.8 | 13% | 0.126 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 124 | 165.8 | -166.5 | 71.3 | 0 | 0 | 0 | 107 | V15 P19 T23 V25 Y88 L133 G134 | V15-L125 HydrophobicContact CG1-CD2 4.38Å; P19-L125 HydrophobicContact CB-CD2 4.32Å; P19-L125 HydrophobicContact CG-CD2 4.48Å; T23-L125 HydrophobicContact CG2-CD1 3.38Å; T23-L125 HydrophobicContact CG2-CD2 4.26Å; T23-L125 HydrophobicContact CG2-CG 3.61Å; V25-L125 HydrophobicContact CG2-CD1 3.84Å; Y88-L125 HydrophobicContact CD2-CD1 4.08Å; Y88-L125 HydrophobicContact CG-CD1 4.45Å; L125-L133 HydrophobicContact CB-CB 4.3Å; L125-L133 HydrophobicContact CD2-CB 4.21Å; L125-L133 HydrophobicContact CG-CB 4.24Å; L125-L133 HydrophobicContact CG-CD1 4.43Å; L125-L133 WeakPolarHBondContact O-CA 3.41Å; L125-L133 WeakPolarHBondContact O-CB 3.48Å; L125-L133 PolarHBondContact O-N 2.98Å; L125-G134 PolarHBondContact N-O 2.66Å; L125-G134 PolarHBondContact O-N 3.45Å |
| 126 | E | 98.6 | Very high | 97.8 | Very high | 17 Ų | 17 | 53.2 Ų | 53.2 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 143.5 | -171.3 | -67.6 | 168.9 | -161.2 | 0 | 0 | 110.3 | T23 R24 R26 T124 N131 | T23-E126 CarbonylContact C-O 3.48Å; T23-E126 WeakPolarHBondContact CA-O 3.41Å; T23-E126 WeakPolarHBondContact CG2-O 3.29Å; R24-E126 PolarHBondContact N-O 2.92Å; R24-E126 PolarHBondContact O-N 3.35Å; R26-E126 VanDerWaalsContact CD-OE1 3.3Å; R26-E126 WeakPolarHBondContact CD-OE1 3.24Å; R26-E126 IonicContact CZ-OE1 3.21Å; R26-E126 IonicContact CZ-OE2 3.93Å; R26-E126 VanDerWaalsContact NE-CD 3.32Å; R26-E126 IonicContact NE-OE1 3.6Å; R26-E126 PolarHBondContact NE-OE1 3.33Å; R26-E126 IonicContact NE-OE2 3.71Å; R26-E126 PolarHBondContact NE-OE2 3.3Å; R26-E126 IonicContact NH2-OE1 3.6Å; R26-E126 IonicContact NH2-OE2 3.89Å; R26-E126 PolarHBondContact NH2-OE2 3.01Å; T124-E126 PolarHBondContact OG1-OE1 3.27Å; E126-N131 CarbonylContact C-O 3.57Å; E126-N131 WeakPolarHBondContact CA-O 3.32Å |
| 127 | D | 97.6 | Very high | 97.9 | Very high | 33 Ų | 33 | 46.4 Ų | 46.4 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | trans | -73.9 | 178.7 | 170.3 | 74.9 | 11.2 | 0 | 0 | 0 | 111.8 | S129 G130 N131 L133 | D127-S129 PolarHBondContact O-N 3.28Å; D127-S129 VanDerWaalsContact OD1-C 3.32Å; D127-S129 VanDerWaalsContact OD1-CA 3.28Å; D127-S129 WeakPolarHBondContact OD1-CA 2.98Å; D127-S129 WeakPolarHBondContact OD1-CB 3.49Å; D127-S129 PolarHBondContact OD1-N 2.96Å; D127-G130 PolarHBondContact O-N 2.82Å; D127-G130 PolarHBondContact OD1-N 2.96Å; D127-N131 PolarHBondContact N-O 3.27Å; D127-N131 PolarHBondContact OD1-N 2.87Å; D127-N131 PolarHBondContact OD1-ND2 3.33Å; D127-N131 WeakPolarHBondContact OD2-CB 3.41Å; D127-N131 PolarHBondContact OD2-ND2 3.24Å; D127-L133 HydrophobicContact CB-CD1 4.11Å; D127-L133 HydrophobicContact CB-CD2 4.24Å; D127-L133 HydrophobicContact CB-CG 4.25Å | ||
| 128 | S | 96.5 | Very high | 97.9 | Very high | 89 Ų | 89 | 45.9 Ų | 45.9 | 62% | 0.622 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.3 | 179.2 | 57.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 129 | S | 95.8 | Very high | 97.9 | Very high | 96 Ų | 96 | 47.7 Ų | 47.7 | 67% | 0.671 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -3.7 | 176 | -57.4 | 0 | 0 | 0 | 0 | 112.6 | D127 | D127-S129 PolarHBondContact O-N 3.28Å; D127-S129 VanDerWaalsContact OD1-C 3.32Å; D127-S129 VanDerWaalsContact OD1-CA 3.28Å; D127-S129 WeakPolarHBondContact OD1-CA 2.98Å; D127-S129 WeakPolarHBondContact OD1-CB 3.49Å; D127-S129 PolarHBondContact OD1-N 2.96Å |
| 130 | G | 92.9 | Very high | 97.9 | Very high | 45 Ų | 45 | 47.7 Ų | 47.7 | 46% | 0.464 | 27% | 0.27 | S | S | . | . | trans | 83.7 | 12.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D127 | D127-G130 PolarHBondContact O-N 2.82Å; D127-G130 PolarHBondContact OD1-N 2.96Å | ||
| 131 | N | 97 | Very high | 97.9 | Very high | 94 Ų | 94 | 50.4 Ų | 50.4 | 50% | 0.503 | 28% | 0.277 | S | S | . | . | trans | -74.8 | 144.1 | 173.9 | -55.1 | -57.3 | 0 | 0 | 0 | 110.5 | E126 D127 L133 | E126-N131 CarbonylContact C-O 3.57Å; E126-N131 WeakPolarHBondContact CA-O 3.32Å; D127-N131 PolarHBondContact N-O 3.27Å; D127-N131 PolarHBondContact OD1-N 2.87Å; D127-N131 PolarHBondContact OD1-ND2 3.33Å; D127-N131 WeakPolarHBondContact OD2-CB 3.41Å; D127-N131 PolarHBondContact OD2-ND2 3.24Å; N131-L133 PolarHBondContact O-N 2.71Å | ||
| 132 | L | 98.2 | Very high | 97.9 | Very high | 103 Ų | 103 | 50.5 Ų | 50.5 | 54% | 0.539 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 120.9 | -179 | -171.9 | 69.3 | 0 | 0 | 0 | 111.3 | T124 G134 R135 | T124-L132 HydrophobicContact CG2-CD1 3.54Å; L132-G134 WeakPolarHBondContact CD1-O 3.37Å; L132-R135 HydrophobicContact CD1-CB 4.27Å; L132-R135 HydrophobicContact CD2-CB 4.38Å |
| 133 | L | 98 | Very high | 97.9 | Very high | 46 Ų | 46 | 49.5 Ų | 49.5 | 24% | 0.241 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -35.5 | 171.3 | -58.5 | 178.7 | 0 | 0 | 0 | 111.7 | P19 T23 L125 D127 N131 T202 | P19-L133 HydrophobicContact CB-CD1 4.46Å; T23-L133 HydrophobicContact CG2-CD1 4.01Å; T23-L133 WeakPolarHBondContact OG1-CD1 3.37Å; L125-L133 HydrophobicContact CB-CB 4.3Å; L125-L133 HydrophobicContact CD2-CB 4.21Å; L125-L133 HydrophobicContact CG-CB 4.24Å; L125-L133 HydrophobicContact CG-CD1 4.43Å; L125-L133 WeakPolarHBondContact O-CA 3.41Å; L125-L133 WeakPolarHBondContact O-CB 3.48Å; L125-L133 PolarHBondContact O-N 2.98Å; D127-L133 HydrophobicContact CB-CD1 4.11Å; D127-L133 HydrophobicContact CB-CD2 4.24Å; D127-L133 HydrophobicContact CB-CG 4.25Å; N131-L133 PolarHBondContact O-N 2.71Å; L133-T202 WeakPolarHBondContact O-CG2 3.19Å |
| 134 | G | 97.5 | Very high | 97.8 | Very high | 8 Ų | 8 | 52.8 Ų | 52.8 | 8% | 0.082 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 156.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T124 L125 L132 D200 | T124-G134 WeakPolarHBondContact CA-O 3.41Å; L125-G134 PolarHBondContact N-O 2.66Å; L125-G134 PolarHBondContact O-N 3.45Å; L132-G134 WeakPolarHBondContact CD1-O 3.37Å; G134-D200 WeakPolarHBondContact CA-OD2 3.37Å |
| 135 | R | 98.5 | Very high | 97.8 | Very high | 155 Ų | 155 | 54.6 Ų | 54.6 | 59% | 0.585 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 128.3 | 179 | -174.6 | 169.4 | 62.3 | 117.5 | 1.8 | 111.7 | I122 I123 T124 L132 D200 | I122-R135 HydrophobicContact CG2-CG 3.81Å; I123-R135 WeakPolarHBondContact O-CA 3.46Å; T124-R135 HydrophobicContact CG2-CB 4.15Å; T124-R135 HydrophobicContact CG2-CG 3.82Å; L132-R135 HydrophobicContact CD1-CB 4.27Å; L132-R135 HydrophobicContact CD2-CB 4.38Å; R135-D200 PolarHBondContact N-OD2 3.49Å |
| 136 | N | 98.5 | Very high | 97.7 | Very high | 51 Ų | 51 | 54.6 Ų | 54.6 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 164.7 | 170.2 | -152.8 | -32.7 | 0 | 0 | 0 | 110.3 | I123 L198 Q199 | I123-N136 PolarHBondContact N-O 3.47Å; I123-N136 PolarHBondContact O-N 2.88Å; I123-N136 VanDerWaalsContact O-O 3.08Å; N136-L198 HydrophobicContact CB-CB 4.41Å; N136-L198 HydrophobicContact CB-CD2 3.94Å; N136-Q199 PolarHBondContact ND2-O 3.28Å |
| 137 | S | 98.4 | Very high | 97.7 | Very high | 55 Ų | 55 | 55.2 Ų | 55.2 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 153.4 | -179.8 | 67.7 | 0 | 0 | 0 | 0 | 112.7 | T121 | T121-S137 CarbonylContact O-C 3.47Å; T121-S137 WeakPolarHBondContact O-CA 3.39Å; T121-S137 WeakPolarHBondContact O-CB 3.34Å |
| 138 | F | 98.6 | Very high | 97.7 | Very high | 24 Ų | 24 | 60.3 Ų | 60.3 | 11% | 0.105 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 148 | 176.5 | 53.9 | -89.1 | 0 | 0 | 0 | 111 | M1 V11 L120 T121 I123 V140 L198 | M1-F138 HydrophobicContact CB-CD2 3.85Å; M1-F138 HydrophobicContact CB-CE2 4.1Å; M1-F138 HydrophobicContact CE-CD2 4.31Å; M1-F138 HydrophobicContact CE-CE2 3.61Å; M1-F138 HydrophobicContact CE-CZ 3.99Å; M1-F138 HydrophobicContact SD-CD2 4.46Å; M1-F138 HydrophobicContact SD-CE2 3.75Å; V11-F138 HydrophobicContact CG1-CE1 4.32Å; V11-F138 HydrophobicContact CG2-CE1 4.27Å; V11-F138 HydrophobicContact CG2-CZ 3.86Å; L120-F138 WeakPolarHBondContact CA-O 3.4Å; T121-F138 HydrophobicContact CG2-CE1 4.22Å; T121-F138 HydrophobicContact CG2-CE2 4.36Å; T121-F138 HydrophobicContact CG2-CZ 3.83Å; T121-F138 PolarHBondContact N-O 3.39Å; T121-F138 PolarHBondContact O-N 3.3Å; I123-F138 HydrophobicContact CD1-CE1 4.37Å; I123-F138 HydrophobicContact CG1-CE1 3.84Å; F138-V140 HydrophobicContact CD2-CG2 3.6Å; F138-V140 HydrophobicContact CE2-CG2 3.48Å; F138-V140 VanDerWaalsContact CE2-CG2 3.48Å; F138-L198 HydrophobicContact CD1-CD2 4.06Å; F138-L198 HydrophobicContact CE1-CD1 4.45Å |
| 139 | E | 98.5 | Very high | 97.8 | Very high | 69 Ų | 69 | 57 Ų | 57 | 32% | 0.322 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 140 | 173.9 | -179.3 | 165.9 | -161.7 | 0 | 0 | 111 | M1 K32 P118 I119 L120 | M1-E139 PolarHBondContact N-O 2.95Å; K32-E139 HydrophobicContact CD-CG 4.45Å; K32-E139 WeakPolarHBondContact CD-OE1 3.29Å; K32-E139 VanDerWaalsContact NZ-CD 3.31Å; K32-E139 IonicContact NZ-OE1 3.65Å; K32-E139 PolarHBondContact NZ-OE1 3.2Å; K32-E139 IonicContact NZ-OE2 2.9Å; K32-E139 PolarHBondContact NZ-OE2 3.43Å; P118-E139 WeakPolarHBondContact CB-OE1 3.18Å; I119-E139 WeakPolarHBondContact O-CA 3.16Å; L120-E139 HydrophobicContact CD2-CB 3.88Å |
| 140 | V | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 128.3 | 178.8 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | M1 Y104 I119 T121 F138 V142 | M1-V140 HydrophobicContact CB-CG2 4.34Å; M1-V140 WeakPolarHBondContact O-CA 3.25Å; M1-V140 HydrophobicContact SD-CG2 4.49Å; Y104-V140 HydrophobicContact CD1-CG1 3.94Å; Y104-V140 HydrophobicContact CD2-CG1 4.16Å; Y104-V140 HydrophobicContact CE1-CB 4.19Å; Y104-V140 HydrophobicContact CE1-CG1 3.79Å; Y104-V140 HydrophobicContact CE1-CG2 3.95Å; Y104-V140 HydrophobicContact CE2-CG1 4.03Å; Y104-V140 HydrophobicContact CE2-CG2 4.45Å; Y104-V140 HydrophobicContact CG-CG1 4.13Å; Y104-V140 WeakPolarHBondContact OH-CG2 3.46Å; I119-V140 HydrophobicContact CD1-CB 4.1Å; I119-V140 HydrophobicContact CG1-CB 4.11Å; I119-V140 WeakPolarHBondContact CG1-O 3.49Å; I119-V140 PolarHBondContact O-N 3.42Å; T121-V140 WeakPolarHBondContact OG1-CG2 3.47Å; F138-V140 HydrophobicContact CD2-CG2 3.6Å; F138-V140 HydrophobicContact CE2-CG2 3.48Å; F138-V140 VanDerWaalsContact CE2-CG2 3.48Å; V140-V142 HydrophobicContact CG1-CG2 3.97Å |
| 141 | R | 98.6 | Very high | 98.2 | Very high | 95 Ų | 95 | 61.5 Ų | 61.5 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 111.3 | 167.5 | -174 | -173.4 | 174.9 | 92.1 | -0.2 | 110.3 | M1 F2 C3 C143 D149 E153 | M1-R141 PolarHBondContact O-N 3.45Å; F2-R141 WeakPolarHBondContact CA-O 3.3Å; F2-R141 HydrophobicContact CD1-CB 3.88Å; F2-R141 HydrophobicContact CD1-CG 4.23Å; F2-R141 HydrophobicContact CE1-CB 4.07Å; F2-R141 VanDerWaalsContact CE1-CD 3.41Å; F2-R141 HydrophobicContact CE1-CG 4.36Å; F2-R141 HydrophobicContact CG-CB 4.48Å; C3-R141 PolarHBondContact N-O 3.01Å; R141-C143 HydrophobicContact CG-CB 4.27Å; R141-D149 IonicContact CZ-OD2 3.3Å; R141-D149 IonicContact NE-OD2 2.66Å; R141-D149 PolarHBondContact NE-OD2 3Å; R141-D149 IonicContact NH2-OD2 3.64Å; R141-D149 PolarHBondContact NH2-OD2 3.26Å; R141-E153 VanDerWaalsContact CD-OE1 3.3Å; R141-E153 WeakPolarHBondContact CD-OE1 3.25Å; R141-E153 IonicContact CZ-OE1 3.82Å; R141-E153 IonicContact NE-OE1 3.96Å; R141-E153 IonicContact NH1-OE1 2.74Å; R141-E153 PolarHBondContact NH1-OE1 3.16Å |
| 142 | V | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 111.5 | 175.2 | -166.1 | 0 | 0 | 0 | 0 | 108.5 | C3 L5 Y104 C106 S108 M114 V140 | C3-V142 CarbonylContact O-C 3.51Å; C3-V142 VanDerWaalsContact O-CA 3.3Å; C3-V142 WeakPolarHBondContact O-CA 3.39Å; L5-V142 HydrophobicContact CB-CG1 4.5Å; Y104-V142 VanDerWaalsContact CB-CG2 3.45Å; Y104-V142 HydrophobicContact CD1-CG2 4.28Å; Y104-V142 HydrophobicContact CG-CG2 3.93Å; C106-V142 VanDerWaalsContact O-CB 3.29Å; C106-V142 WeakPolarHBondContact O-CB 3.48Å; C106-V142 VanDerWaalsContact O-CG1 3.32Å; C106-V142 WeakPolarHBondContact O-CG1 3.48Å; C106-V142 WeakPolarHBondContact O-CG2 3.38Å; S108-V142 PolarHBondContact N-O 2.96Å; S108-V142 PolarHBondContact OG-N 2.95Å; S108-V142 PolarHBondContact OG-O 3.08Å; M114-V142 HydrophobicContact CE-CG2 4.35Å; V140-V142 HydrophobicContact CG1-CG2 3.97Å |
| 143 | C | 98.4 | Very high | 98.1 | Very high | 10 Ų | 10 | 58.2 Ų | 58.2 | 7% | 0.068 | 29% | 0.291 | C | S | . | . | trans | -148 | 161.8 | -169.9 | 59.6 | 0 | 0 | 0 | 0 | 112.5 | C3 Q4 R141 C145 | C3-C143 PolarHBondContact O-N 2.71Å; Q4-C143 WeakPolarHBondContact CA-O 3.22Å; R141-C143 HydrophobicContact CG-CB 4.27Å; C143-C145 VanDerWaalsContact C-N 3.35Å; C143-C145 PolarHBondContact O-N 3.48Å | ||
| 144 | A | 98 | Very high | 98.1 | Very high | 75 Ų | 75 | 60.7 Ų | 60.7 | 62% | 0.62 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -68.9 | -31.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q4 | Q4-A144 PolarHBondContact NE2-O 2.88Š|
| 145 | C | 98 | Very high | 98 | Very high | 55 Ų | 55 | 65 Ų | 65 | 37% | 0.372 | 32% | 0.319 | S | S | . | . | trans | -129 | 69.3 | -175.2 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | C143 G147 R148 D149 | C143-C145 VanDerWaalsContact C-N 3.35Å; C143-C145 PolarHBondContact O-N 3.48Å; C145-G147 VanDerWaalsContact C-N 3.35Å; C145-G147 PolarHBondContact O-N 3.47Å; C145-R148 HydrophobicContact CB-CB 4.02Å; C145-R148 PolarHBondContact O-N 2.95Å; C145-D149 PolarHBondContact O-N 2.82Å | ||
| 146 | P | 97.8 | Very high | 97.9 | Very high | 23 Ų | 23 | 61.2 Ų | 61.2 | 15% | 0.149 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -50.8 | -47.2 | -174.4 | -32.2 | 39 | 0 | 0 | 0 | 114.8 | F2 C3 Q4 R148 D149 R150 | F2-P146 HydrophobicContact CB-CB 3.75Å; C3-P146 VanDerWaalsContact C-CG 3.44Å; Q4-P146 HydrophobicContact CG-CG 3.65Å; P146-R148 VanDerWaalsContact C-N 3.3Å; P146-R148 PolarHBondContact O-N 3Å; P146-D149 PolarHBondContact O-N 3.07Å; P146-R150 VanDerWaalsContact O-CB 3.3Å; P146-R150 WeakPolarHBondContact O-CB 3.38Å; P146-R150 PolarHBondContact O-N 2.97Å |
| 147 | G | 97.8 | Very high | 97.7 | Very high | 30 Ų | 30 | 64.7 Ų | 64.7 | 31% | 0.309 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.9 | -30.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | C145 R151 | C145-G147 VanDerWaalsContact C-N 3.35Å; C145-G147 PolarHBondContact O-N 3.47Å; G147-R151 WeakPolarHBondContact O-CG 3.46Å; G147-R151 PolarHBondContact O-N 2.71Å; G147-R151 PolarHBondContact O-NE 2.64Å |
| 148 | R | 98.2 | Very high | 97.5 | Very high | 141 Ų | 141 | 71.7 Ų | 71.7 | 53% | 0.532 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -74.7 | -52.1 | 173.8 | -177.2 | -166.4 | 65.4 | -173.1 | -3.1 | 110 | C145 P146 R150 R151 T152 | C145-R148 HydrophobicContact CB-CB 4.02Å; C145-R148 PolarHBondContact O-N 2.95Å; P146-R148 VanDerWaalsContact C-N 3.3Å; P146-R148 PolarHBondContact O-N 3Å; R148-R150 VanDerWaalsContact C-N 3.29Å; R148-R150 PolarHBondContact O-N 2.92Å; R148-R151 PolarHBondContact O-N 2.95Å; R148-T152 PolarHBondContact O-N 2.9Å; R148-T152 PolarHBondContact O-OG1 3.22Å |
| 149 | D | 97.9 | Very high | 97.3 | Very high | 18 Ų | 18 | 76.4 Ų | 76.4 | 10% | 0.096 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.5 | -40.4 | -176.2 | -77 | 27.4 | 0 | 0 | 0 | 110.8 | F2 R141 C145 P146 T152 E153 | F2-D149 HydrophobicContact CD1-CB 4.02Å; F2-D149 HydrophobicContact CE1-CB 4.15Å; R141-D149 IonicContact CZ-OD2 3.3Å; R141-D149 IonicContact NE-OD2 2.66Å; R141-D149 PolarHBondContact NE-OD2 3Å; R141-D149 IonicContact NH2-OD2 3.64Å; R141-D149 PolarHBondContact NH2-OD2 3.26Å; C145-D149 PolarHBondContact O-N 2.82Å; P146-D149 PolarHBondContact O-N 3.07Å; D149-T152 PolarHBondContact O-N 3.06Å; D149-E153 WeakPolarHBondContact O-CG 3.3Å; D149-E153 PolarHBondContact O-N 3.22Å |
| 150 | R | 98 | Very high | 96.6 | Very high | 72 Ų | 72 | 81.8 Ų | 81.8 | 27% | 0.272 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.9 | -52.5 | 172.5 | -178.3 | 174.6 | 61.7 | 157.1 | -9.2 | 112.7 | F2 P146 R148 T152 E153 E154 E194 | F2-R150 HydrophobicContact CB-CB 4.46Å; F2-R150 HydrophobicContact CD1-CB 4.13Å; F2-R150 HydrophobicContact CD2-CB 3.63Å; F2-R150 HydrophobicContact CD2-CG 3.83Å; F2-R150 HydrophobicContact CE1-CB 4.28Å; F2-R150 HydrophobicContact CE2-CB 3.81Å; F2-R150 HydrophobicContact CE2-CG 3.79Å; F2-R150 HydrophobicContact CG-CB 3.83Å; F2-R150 HydrophobicContact CZ-CB 4.15Å; F2-R150 HydrophobicContact CZ-CG 4.44Å; P146-R150 VanDerWaalsContact O-CB 3.3Å; P146-R150 WeakPolarHBondContact O-CB 3.38Å; P146-R150 PolarHBondContact O-N 2.97Å; R148-R150 VanDerWaalsContact C-N 3.29Å; R148-R150 PolarHBondContact O-N 2.92Å; R150-T152 PolarHBondContact O-N 2.61Å; R150-E153 PolarHBondContact O-N 3.37Å; R150-E153 VanDerWaalsContact O-N 3.15Å; R150-E154 WeakPolarHBondContact CD-OE1 3.31Å; R150-E154 HydrophobicContact CG-CG 4.27Å; R150-E154 VanDerWaalsContact CG-OE1 3.25Å; R150-E154 WeakPolarHBondContact CG-OE1 3.49Å; R150-E154 WeakPolarHBondContact O-CG 3.3Å; R150-E154 PolarHBondContact O-N 2.95Å; R150-E194 IonicContact CZ-OE1 3.37Å; R150-E194 IonicContact CZ-OE2 2.64Å; R150-E194 IonicContact NH1-OE1 2.95Å; R150-E194 PolarHBondContact NH1-OE1 3.02Å; R150-E194 IonicContact NH1-OE2 2.61Å; R150-E194 PolarHBondContact NH1-OE2 3.02Å; R150-E194 VanDerWaalsContact NH2-CD 3.26Å; R150-E194 IonicContact NH2-OE1 3.37Å; R150-E194 PolarHBondContact NH2-OE1 3.26Å; R150-E194 IonicContact NH2-OE2 3.09Å; R150-E194 PolarHBondContact NH2-OE2 3.31Å; R150-E194 VanDerWaalsContact NH2-OE2 3.07Å |
| 151 | R | 98.1 | Very high | 95.2 | Very high | 164 Ų | 164 | 84.8 Ų | 84.8 | 62% | 0.619 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -56.3 | -42.8 | 178.5 | -77.9 | -172.4 | -64.5 | -109.4 | 3.1 | 111.4 | G147 R148 E155 | G147-R151 WeakPolarHBondContact O-CG 3.46Å; G147-R151 PolarHBondContact O-N 2.71Å; G147-R151 PolarHBondContact O-NE 2.64Å; R148-R151 PolarHBondContact O-N 2.95Å; R151-E155 VanDerWaalsContact O-CB 3.26Å; R151-E155 WeakPolarHBondContact O-CB 3.33Å; R151-E155 PolarHBondContact O-N 3.36Å |
| 152 | T | 97.8 | Very high | 93.3 | Very high | 64 Ų | 64 | 87.3 Ų | 87.3 | 39% | 0.393 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 177.5 | -60.6 | 0 | 0 | 0 | 0 | 112 | R148 D149 R150 E155 N156 | R148-T152 PolarHBondContact O-N 2.9Å; R148-T152 PolarHBondContact O-OG1 3.22Å; D149-T152 PolarHBondContact O-N 3.06Å; R150-T152 PolarHBondContact O-N 2.61Å; T152-E155 PolarHBondContact O-N 3Å; T152-N156 WeakPolarHBondContact O-CB 3.26Å; T152-N156 PolarHBondContact O-N 3.03Å; T152-N156 PolarHBondContact O-ND2 2.91Å; T152-N156 VanDerWaalsContact O-ND2 3.12Å |
| 153 | E | 96.4 | Very high | 91 | Very high | 65 Ų | 65 | 92.5 Ų | 92.5 | 30% | 0.304 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 178.8 | -73.8 | -170.8 | -156.6 | 0 | 0 | 112.3 | F2 R141 D149 R150 N156 L157 | F2-E153 HydrophobicContact CE1-CG 4.28Å; F2-E153 HydrophobicContact CZ-CB 4.02Å; F2-E153 HydrophobicContact CZ-CG 4.21Å; F2-E153 VanDerWaalsContact CZ-OE2 3.31Å; F2-E153 WeakPolarHBondContact CZ-OE2 3.35Å; R141-E153 VanDerWaalsContact CD-OE1 3.3Å; R141-E153 WeakPolarHBondContact CD-OE1 3.25Å; R141-E153 IonicContact CZ-OE1 3.82Å; R141-E153 IonicContact NE-OE1 3.96Å; R141-E153 IonicContact NH1-OE1 2.74Å; R141-E153 PolarHBondContact NH1-OE1 3.16Å; D149-E153 WeakPolarHBondContact O-CG 3.3Å; D149-E153 PolarHBondContact O-N 3.22Å; R150-E153 PolarHBondContact O-N 3.37Å; R150-E153 VanDerWaalsContact O-N 3.15Å; E153-N156 PolarHBondContact O-N 3.34Å; E153-L157 WeakPolarHBondContact O-CG 3.4Å; E153-L157 PolarHBondContact O-N 2.86Å |
| 154 | E | 97 | Very high | 88.6 | Confident | 98 Ų | 98 | 100.6 Ų | 100.6 | 46% | 0.458 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 174.6 | -71.6 | 173.3 | -177.3 | 0 | 0 | 112.3 | R150 L157 R158 | R150-E154 WeakPolarHBondContact CD-OE1 3.31Å; R150-E154 HydrophobicContact CG-CG 4.27Å; R150-E154 VanDerWaalsContact CG-OE1 3.25Å; R150-E154 WeakPolarHBondContact CG-OE1 3.49Å; R150-E154 WeakPolarHBondContact O-CG 3.3Å; R150-E154 PolarHBondContact O-N 2.95Å; E154-L157 PolarHBondContact O-N 3.36Å; E154-R158 WeakPolarHBondContact O-CG 3.44Å; E154-R158 PolarHBondContact O-N 3.15Å |
| 155 | E | 97 | Very high | 86.3 | Confident | 97 Ų | 97 | 105.3 Ų | 105.3 | 45% | 0.453 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 174.9 | -173.1 | -175.7 | 163.4 | 0 | 0 | 111.6 | R151 T152 L157 R158 K159 | R151-E155 VanDerWaalsContact O-CB 3.26Å; R151-E155 WeakPolarHBondContact O-CB 3.33Å; R151-E155 PolarHBondContact O-N 3.36Å; T152-E155 PolarHBondContact O-N 3Å; E155-L157 VanDerWaalsContact C-N 3.31Å; E155-L157 PolarHBondContact O-N 3.18Å; E155-R158 PolarHBondContact O-N 3.37Å; E155-K159 HydrophobicContact CG-CD 4.49Å; E155-K159 WeakPolarHBondContact O-CG 3.33Å; E155-K159 PolarHBondContact O-N 3.33Å; E155-K159 WeakPolarHBondContact OE1-CE 3.35Å; E155-K159 IonicContact OE1-NZ 3.04Å; E155-K159 PolarHBondContact OE1-NZ 3.24Å |
| 156 | N | 95.8 | Very high | 83.5 | Confident | 76 Ų | 76 | 111.4 Ų | 111.4 | 41% | 0.406 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64 | -35.9 | 176 | -72.7 | -25.5 | 0 | 0 | 0 | 112.3 | T152 E153 K160 | T152-N156 WeakPolarHBondContact O-CB 3.26Å; T152-N156 PolarHBondContact O-N 3.03Å; T152-N156 PolarHBondContact O-ND2 2.91Å; T152-N156 VanDerWaalsContact O-ND2 3.12Å; E153-N156 PolarHBondContact O-N 3.34Å; N156-K160 WeakPolarHBondContact O-CG 3.38Å; N156-K160 PolarHBondContact O-N 3.3Å |
| 157 | L | 94.2 | Very high | 81 | Confident | 125 Ų | 125 | 117.9 Ų | 117.9 | 65% | 0.654 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66 | -43.3 | 173.9 | -72.9 | 168.6 | 0 | 0 | 0 | 111.3 | E153 E154 E155 K159 K160 G161 | E153-L157 WeakPolarHBondContact O-CG 3.4Å; E153-L157 PolarHBondContact O-N 2.86Å; E154-L157 PolarHBondContact O-N 3.36Å; E155-L157 VanDerWaalsContact C-N 3.31Å; E155-L157 PolarHBondContact O-N 3.18Å; L157-K159 PolarHBondContact O-N 2.96Å; L157-K160 PolarHBondContact O-N 3.31Å; L157-G161 PolarHBondContact O-N 2.89Å |
| 158 | R | 93.8 | Very high | 78.3 | Confident | 201 Ų | 201 | 121.7 Ų | 121.7 | 76% | 0.758 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.5 | -46.1 | 176.8 | -70.3 | 175.6 | 70.5 | -175.5 | 2 | 112.1 | E154 E155 K160 G161 | E154-R158 WeakPolarHBondContact O-CG 3.44Å; E154-R158 PolarHBondContact O-N 3.15Å; E155-R158 PolarHBondContact O-N 3.37Å; R158-K160 VanDerWaalsContact C-N 3.27Å; R158-K160 PolarHBondContact O-N 3.41Å; R158-G161 PolarHBondContact O-N 3.34Å; R158-G161 VanDerWaalsContact O-N 3.15Å |
| 159 | K | 93.8 | Very high | 75.4 | Confident | 123 Ų | 123 | 121.5 Ų | 121.5 | 54% | 0.535 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64 | -28.9 | 178.9 | -71.4 | 176.8 | -176.5 | 169.5 | 0 | 113.8 | E155 L157 | E155-K159 HydrophobicContact CG-CD 4.49Å; E155-K159 WeakPolarHBondContact O-CG 3.33Å; E155-K159 PolarHBondContact O-N 3.33Å; E155-K159 WeakPolarHBondContact OE1-CE 3.35Å; E155-K159 IonicContact OE1-NZ 3.04Å; E155-K159 PolarHBondContact OE1-NZ 3.24Å; L157-K159 PolarHBondContact O-N 2.96Å |
| 160 | K | 85.5 | Confident | 72.6 | Confident | 183 Ų | 183 | 123.8 Ų | 123.8 | 80% | 0.796 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -78.8 | -19.6 | 177 | -75.7 | 178.6 | 178.9 | -174.4 | 0 | 113.5 | N156 L157 R158 | N156-K160 WeakPolarHBondContact O-CG 3.38Å; N156-K160 PolarHBondContact O-N 3.3Å; L157-K160 PolarHBondContact O-N 3.31Å; R158-K160 VanDerWaalsContact C-N 3.27Å; R158-K160 PolarHBondContact O-N 3.41Å |
| 161 | G | 68.5 | Low | 70 | Confident | 64 Ų | 64 | 126.2 Ų | 126.2 | 66% | 0.66 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -89.1 | -11.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L157 R158 | L157-G161 PolarHBondContact O-N 2.89Å; R158-G161 PolarHBondContact O-N 3.34Å; R158-G161 VanDerWaalsContact O-N 3.15Å |
| 162 | E | 58.6 | Low | 67.1 | Low | 147 Ų | 147 | 124.9 Ų | 124.9 | 69% | 0.687 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -80.4 | 123.1 | 175.3 | -71.4 | -175.4 | 143.4 | 0 | 0 | 109.7 | H164 | E162-H164 PolarHBondContact O-N 2.96Š|
| 163 | P | 50.2 | Low | 64.5 | Low | 112 Ų | 112 | 130 Ų | 130 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | trans | -61.6 | 124.3 | 173.4 | 25 | -30 | 0 | 0 | 0 | 107.7 | H165 | P163-H165 PolarHBondContact O-N 3.16Š| ||
| 164 | H | 49.3 | Very low | 61.6 | Low | 180 Ų | 180 | 137.5 Ų | 137.5 | 83% | 0.833 | 72% | 0.715 | S | S | * | * | trans | -54.3 | 102.2 | 176.5 | -127.6 | -93.3 | 0 | 0 | 0 | 108.2 | E162 E166 | E162-H164 PolarHBondContact O-N 2.96Å; H164-E166 PolarHBondContact O-N 3.12Å; H164-E166 VanDerWaalsContact O-N 3.08Å | ||
| 165 | H | 48.9 | Very low | 58.6 | Low | 173 Ų | 173 | 137.2 Ų | 137.2 | 80% | 0.801 | 73% | 0.73 | S | S | * | * | trans | -64.2 | 110.4 | 160.8 | -104.4 | -88.3 | 0 | 0 | 0 | 105.7 | P163 L167 | P163-H165 PolarHBondContact O-N 3.16Å; H165-L167 PolarHBondContact O-N 2.96Å | ||
| 166 | E | 38.1 | Very low | 56.1 | Low | 183 Ų | 183 | 140 Ų | 140 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | trans | -52 | 110.9 | 171.7 | -71.5 | -172.5 | 144.8 | 0 | 0 | 108.9 | H164 | H164-E166 PolarHBondContact O-N 3.12Å; H164-E166 VanDerWaalsContact O-N 3.08Å | ||
| 167 | L | 45.3 | Very low | 53.5 | Low | 160 Ų | 160 | 142.1 Ų | 142.1 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -77.2 | 133.9 | 162.3 | -77 | 162.7 | 0 | 0 | 0 | 107.4 | H165 | H165-L167 PolarHBondContact O-N 2.96Š| ||
| 168 | P | 41.2 | Very low | 50.5 | Low | 109 Ų | 109 | 142.9 Ų | 142.9 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | trans | -66.1 | 149.5 | -172.3 | 25.6 | -32.5 | 0 | 0 | 0 | 111.6 | G170 | P168-G170 PolarHBondContact O-N 3.5Å; P168-G170 VanDerWaalsContact O-N 3.09Å | ||
| 169 | P | 38.3 | Very low | 47.8 | Very low | 138 Ų | 138 | 141 Ų | 141 | 90% | 0.896 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -75.4 | 103.5 | -177.2 | 30.3 | -31.3 | 0 | 0 | 0 | 109.5 | ||
| 170 | G | 39.9 | Very low | 44.8 | Very low | 66 Ų | 66 | 141.9 Ų | 141.9 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | trans | 170.2 | 87.6 | 172 | 0 | 0 | 0 | 0 | 0 | 115.2 | P168 | P168-G170 PolarHBondContact O-N 3.5Å; P168-G170 VanDerWaalsContact O-N 3.09Å | ||
| 171 | S | 41.6 | Very low | 42.5 | Very low | 123 Ų | 123 | 138 Ų | 138 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | 178 | 126.9 | 123.4 | 43 | 0 | 0 | 0 | 0 | 112 | |||||
| 172 | T | 37.4 | Very low | 40.9 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | trans | -72.9 | 152.8 | 176.1 | -34.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 173 | K | 43.1 | Very low | 40 | Very low | 171 Ų | 171 | 138.3 Ų | 138.3 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | 83.8 | 107 | 157.6 | -88.3 | 176.9 | 173.2 | 174.1 | 0 | 120.3 | ||||
| 174 | R | 36.6 | Very low | 39.2 | Very low | 223 Ų | 223 | 138.9 Ų | 138.9 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | 80.9 | 130.1 | 110.4 | -158.2 | -176.6 | -81.2 | -164 | -4.3 | 119.5 | |||||
| 175 | A | 32.9 | Very low | 38.9 | Very low | 92 Ų | 92 | 139.2 Ų | 139.2 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | 101.6 | 126.7 | 149.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 176 | L | 44.8 | Very low | 38.3 | Very low | 156 Ų | 156 | 137 Ų | 137 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | -49 | 158.9 | 168.2 | -92.6 | 73.6 | 0 | 0 | 0 | 112.9 | ||||
| 177 | P | 40.7 | Very low | 38 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | trans | -123.9 | 127.6 | 133.1 | 25.3 | -9.2 | 0 | 0 | 0 | 112.4 | ||||
| 178 | N | 32.9 | Very low | 37.1 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | trans | -52.6 | 137.3 | 149.8 | -95.5 | -9.4 | 0 | 0 | 0 | 108.5 | ||||
| 179 | N | 35.2 | Very low | 36.8 | Very low | 163 Ų | 163 | 144.2 Ų | 144.2 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | trans | -159.6 | 125.3 | 141.3 | -97.6 | -13.3 | 0 | 0 | 0 | 111.9 | ||||
| 180 | T | 32.4 | Very low | 36.4 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | -79.6 | 121.8 | 168.1 | -35.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 181 | S | 37.3 | Very low | 36.2 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 71% | 0.713 | 82% | 0.82 | S | S | * | * | trans | -174.2 | 121.6 | 147.6 | 48.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 182 | S | 33.5 | Very low | 35.8 | Very low | 109 Ų | 109 | 150 Ų | 150 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | 36.2 | 116 | 142.2 | 56.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 183 | S | 40.4 | Very low | 35.9 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -29.1 | 155.6 | 157.6 | 50.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 184 | P | 34.3 | Very low | 35.9 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | -127.9 | 134.9 | 123.9 | 18.5 | 0.4 | 0 | 0 | 0 | 113 | |||||
| 185 | Q | 41.1 | Very low | 36.3 | Very low | 187 Ų | 187 | 137.9 Ų | 137.9 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -63.7 | 145.7 | 169 | -67.8 | -172.4 | -25.1 | 0 | 0 | 111.7 | ||||
| 186 | P | 36.9 | Very low | 37 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | trans | -105.8 | 136.5 | 152.2 | 20.6 | -3.4 | 0 | 0 | 0 | 111.6 | ||||
| 187 | K | 31.2 | Very low | 37 | Very low | 200 Ų | 200 | 132.7 Ų | 132.7 | 87% | 0.87 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 136.7 | -179 | -64.5 | 167 | 176.5 | 177.6 | 0 | 112.7 | K189 | K187-K189 PolarHBondContact O-N 2.94Š|
| 188 | K | 28.3 | Very low | 37.3 | Very low | 214 Ų | 214 | 127.7 Ų | 127.7 | 93% | 0.93 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 116.3 | 166 | -70.1 | 178.9 | 177.6 | 177.4 | 0 | 108.9 | ||
| 189 | K | 34.4 | Very low | 37.6 | Very low | 191 Ų | 191 | 127.9 Ų | 127.9 | 83% | 0.83 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 147.7 | 156.3 | -75.6 | -172.7 | 176 | -174.6 | 0 | 108.5 | K187 | K187-K189 PolarHBondContact O-N 2.94Š|
| 190 | P | 29.5 | Very low | 38.4 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 81% | 0.805 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 140.8 | 177.2 | -14.9 | 29.1 | 0 | 0 | 0 | 110 | D192 | P190-D192 PolarHBondContact O-N 3.27Š|
| 191 | L | 35.3 | Very low | 38.5 | Very low | 178 Ų | 178 | 124.1 Ų | 124.1 | 93% | 0.932 | 66% | 0.661 | S | S | * | * | trans | -65.4 | 97 | 170.6 | -82.4 | 141.6 | 0 | 0 | 0 | 108 | ||||
| 192 | D | 32.7 | Very low | 38.3 | Very low | 145 Ų | 145 | 120.7 Ų | 120.7 | 78% | 0.775 | 64% | 0.636 | S | S | * | * | trans | -73.2 | 123.7 | 158.6 | -138.9 | -7.9 | 0 | 0 | 0 | 106.3 | P190 E194 | P190-D192 PolarHBondContact O-N 3.27Å; D192-E194 PolarHBondContact O-N 3.5Å | ||
| 193 | G | 39.7 | Very low | 38.1 | Very low | 41 Ų | 41 | 120.3 Ų | 120.3 | 42% | 0.423 | 63% | 0.633 | S | S | . | * | trans | -58.9 | 114.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y195 | G193-Y195 WeakPolarHBondContact O-CD2 3.46Å; G193-Y195 VanDerWaalsContact O-CE2 3.24Å; G193-Y195 WeakPolarHBondContact O-CE2 3.41Å; G193-Y195 PolarHBondContact O-N 3.29Å | ||
| 194 | E | 44.3 | Very low | 37.7 | Very low | 103 Ų | 103 | 121.1 Ų | 121.1 | 48% | 0.481 | 62% | 0.623 | S | S | . | * | trans | -74 | 95.3 | 176.7 | -71 | -168.9 | 151.7 | 0 | 0 | 109.2 | R150 D192 | R150-E194 IonicContact CZ-OE1 3.37Å; R150-E194 IonicContact CZ-OE2 2.64Å; R150-E194 IonicContact NH1-OE1 2.95Å; R150-E194 PolarHBondContact NH1-OE1 3.02Å; R150-E194 IonicContact NH1-OE2 2.61Å; R150-E194 PolarHBondContact NH1-OE2 3.02Å; R150-E194 VanDerWaalsContact NH2-CD 3.26Å; R150-E194 IonicContact NH2-OE1 3.37Å; R150-E194 PolarHBondContact NH2-OE1 3.26Å; R150-E194 IonicContact NH2-OE2 3.09Å; R150-E194 PolarHBondContact NH2-OE2 3.31Å; R150-E194 VanDerWaalsContact NH2-OE2 3.07Å; D192-E194 PolarHBondContact O-N 3.5Å | ||
| 195 | Y | 44.2 | Very low | 37.4 | Very low | 132 Ų | 132 | 122.6 Ų | 122.6 | 52% | 0.518 | 62% | 0.619 | S | S | . | * | trans | -74.7 | 135.6 | 169.6 | -57.3 | -83 | 0 | 0 | 0 | 109.6 | P10 Q12 G193 | P10-Y195 HydrophobicContact CB-CD1 4.17Å; P10-Y195 HydrophobicContact CB-CE1 4.47Å; P10-Y195 HydrophobicContact CG-CD1 4.28Å; Q12-Y195 HydrophobicContact CG-CD1 4.21Å; Q12-Y195 HydrophobicContact CG-CG 4.48Å; G193-Y195 WeakPolarHBondContact O-CD2 3.46Å; G193-Y195 VanDerWaalsContact O-CE2 3.24Å; G193-Y195 WeakPolarHBondContact O-CE2 3.41Å; G193-Y195 PolarHBondContact O-N 3.29Å | ||
| 196 | F | 48.6 | Very low | 36.7 | Very low | 61 Ų | 61 | 123 Ų | 123 | 27% | 0.268 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.2 | 110.2 | 168 | -72.2 | -90.8 | 0 | 0 | 0 | 108.3 | M1 Q12 | M1-F196 HydrophobicContact CB-CD1 4.27Å; M1-F196 HydrophobicContact CB-CD2 4.35Å; M1-F196 HydrophobicContact CB-CE1 3.82Å; M1-F196 HydrophobicContact CB-CE2 3.89Å; M1-F196 HydrophobicContact CB-CZ 3.63Å; M1-F196 HydrophobicContact CE-CB 4.14Å; M1-F196 HydrophobicContact CE-CD2 3.28Å; M1-F196 HydrophobicContact CE-CE2 3.8Å; M1-F196 HydrophobicContact CE-CG 3.7Å; M1-F196 HydrophobicContact CG-CD2 4.12Å; M1-F196 HydrophobicContact CG-CE1 4.46Å; M1-F196 HydrophobicContact CG-CE2 3.61Å; M1-F196 HydrophobicContact CG-CZ 3.83Å; Q12-F196 PolarHBondContact N-O 2.93Å |
| 197 | T | 43.9 | Very low | 36.3 | Very low | 78 Ų | 78 | 124.7 Ų | 124.7 | 48% | 0.479 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.7 | 121 | 179.3 | -52.3 | 0 | 0 | 0 | 0 | 110 | Q12 W14 Q199 | Q12-T197 PolarHBondContact OE1-OG1 3.45Å; W14-T197 VanDerWaalsContact CD1-CG2 3.5Å; W14-T197 HydrophobicContact CD2-CG2 4.38Å; W14-T197 HydrophobicContact CG-CG2 4.15Å; W14-T197 VanDerWaalsContact NE1-CG2 3.32Å; T197-Q199 HydrophobicContact CG2-CG 4.23Å |
| 198 | L | 46.7 | Very low | 36 | Very low | 15 Ų | 15 | 122.1 Ų | 122.1 | 8% | 0.079 | 61% | 0.611 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.9 | 110.5 | 166.3 | -58 | 174.4 | 0 | 0 | 0 | 108.1 | V11 Q12 L13 W14 I123 N136 F138 | V11-L198 HydrophobicContact CG1-CD1 3.49Å; V11-L198 VanDerWaalsContact CG1-CD1 3.49Å; V11-L198 HydrophobicContact CG1-CG 4.05Å; Q12-L198 WeakPolarHBondContact O-CB 3.21Å; Q12-L198 PolarHBondContact O-N 3.03Å; L13-L198 HydrophobicContact CD2-CD1 4.41Å; W14-L198 VanDerWaalsContact CB-O 3.32Å; W14-L198 WeakPolarHBondContact CB-O 3.45Å; W14-L198 PolarHBondContact N-O 2.83Å; W14-L198 VanDerWaalsContact N-O 3.15Å; I123-L198 HydrophobicContact CB-CD1 3.94Å; I123-L198 HydrophobicContact CG1-CD1 3.76Å; I123-L198 HydrophobicContact CG2-CD1 4.13Å; N136-L198 HydrophobicContact CB-CB 4.41Å; N136-L198 HydrophobicContact CB-CD2 3.94Å; F138-L198 HydrophobicContact CD1-CD2 4.06Å; F138-L198 HydrophobicContact CE1-CD1 4.45Å |
| 199 | Q | 39.5 | Very low | 36.2 | Very low | 145 Ų | 145 | 121.9 Ų | 121.9 | 68% | 0.678 | 63% | 0.634 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.3 | 128.4 | 165 | -76.3 | -179.6 | -28.3 | 0 | 0 | 108.1 | W14 N136 T197 | W14-Q199 HydrophobicContact CB-CG 4.3Å; N136-Q199 PolarHBondContact ND2-O 3.28Å; T197-Q199 HydrophobicContact CG2-CG 4.23Å |
| 200 | D | 51.4 | Low | 36.3 | Very low | 53 Ų | 53 | 118.4 Ų | 118.4 | 28% | 0.283 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.3 | 118.6 | 170.4 | -146.7 | -7.9 | 0 | 0 | 0 | 108.5 | G134 R135 T202 | G134-D200 WeakPolarHBondContact CA-OD2 3.37Å; R135-D200 PolarHBondContact N-OD2 3.49Å; D200-T202 PolarHBondContact O-N 3.15Å; D200-T202 VanDerWaalsContact O-N 3.13Å |
| 201 | Q | 35.8 | Very low | 36.7 | Very low | 170 Ų | 170 | 118.1 Ų | 118.1 | 79% | 0.794 | 61% | 0.614 | S | S | * | * | trans | -83.2 | 84.1 | 177.7 | -76.6 | -176.7 | -18.8 | 0 | 0 | 108.7 | S203 | Q201-S203 PolarHBondContact O-N 3.32Š| ||
| 202 | T | 33.3 | Very low | 36.8 | Very low | 31 Ų | 31 | 114.8 Ų | 114.8 | 19% | 0.19 | 60% | 0.597 | C | S | . | * | trans | -74.4 | 93.1 | 168.2 | 36.2 | 0 | 0 | 0 | 0 | 110.1 | L133 D200 F204 | L133-T202 WeakPolarHBondContact O-CG2 3.19Å; D200-T202 PolarHBondContact O-N 3.15Å; D200-T202 VanDerWaalsContact O-N 3.13Å; T202-F204 PolarHBondContact O-N 2.66Å | ||
| 203 | S | 29.4 | Very low | 37 | Very low | 101 Ų | 101 | 113 Ų | 113 | 71% | 0.706 | 59% | 0.586 | S | S | * | * | trans | -70.4 | 96.7 | 159.4 | 152.9 | 0 | 0 | 0 | 0 | 108.6 | Q201 Q205 | Q201-S203 PolarHBondContact O-N 3.32Å; S203-Q205 PolarHBondContact O-N 3.18Å | ||
| 204 | F | 32.2 | Very low | 36.8 | Very low | 126 Ų | 126 | 117.5 Ų | 117.5 | 55% | 0.553 | 60% | 0.596 | S | S | * | * | trans | -66.4 | 99.6 | 163.1 | -94.4 | -88.6 | 0 | 0 | 0 | 108.7 | T202 K206 | T202-F204 PolarHBondContact O-N 2.66Å; F204-K206 PolarHBondContact O-N 2.84Å; F204-K206 VanDerWaalsContact O-N 3.1Å | ||
| 205 | Q | 26.9 | Very low | 36.3 | Very low | 154 Ų | 154 | 118.5 Ų | 118.5 | 72% | 0.72 | 60% | 0.604 | S | S | * | * | trans | -70.2 | 103.9 | 160.5 | -92.4 | -165.7 | -27.5 | 0 | 0 | 108 | S203 E207 | S203-Q205 PolarHBondContact O-N 3.18Å; Q205-E207 PolarHBondContact O-N 3.08Å | ||
| 206 | K | 25.8 | Very low | 35.8 | Very low | 195 Ų | 195 | 117.5 Ų | 117.5 | 85% | 0.848 | 61% | 0.61 | S | S | * | * | trans | -73.5 | 84.5 | 162 | -140.4 | -178.8 | -169.6 | 179 | 0 | 106.8 | F204 N208 | F204-K206 PolarHBondContact O-N 2.84Å; F204-K206 VanDerWaalsContact O-N 3.1Å; K206-N208 PolarHBondContact O-N 3.01Å | ||
| 207 | E | 30.1 | Very low | 34.8 | Very low | 162 Ų | 162 | 121.8 Ų | 121.8 | 76% | 0.757 | 64% | 0.636 | S | S | * | * | trans | -77.7 | 108.2 | 163.6 | -74.1 | -164.6 | 152.5 | 0 | 0 | 108 | Q205 C209 | Q205-E207 PolarHBondContact O-N 3.08Å; E207-C209 PolarHBondContact O-N 3.09Å | ||
| 208 | N | 24 | Very low | 34 | Very low | 145 Ų | 145 | 125.5 Ų | 125.5 | 78% | 0.775 | 65% | 0.65 | S | S | * | * | trans | -64.2 | 117 | 165.8 | -80.8 | -17.8 | 0 | 0 | 0 | 109.4 | K206 | K206-N208 PolarHBondContact O-N 3.01Š| ||
| 209 | C | 33.6 | Very low | 32.9 | Very low | 209 Ų | 209 | 135.5 Ų | 135.5 | 100% | 1.412 | 70% | 0.702 | S | S | * | * | trans | -156.8 | 0 | 138.7 | -95.7 | 0 | 0 | 0 | 0 | 109.2 | E207 | E207-C209 PolarHBondContact O-N 3.09Š|
Retrieved 209 of 209 residues in 52.4 ms
(Link to these results)