| 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 | 50.9 | Low | 85.7 | Confident | 241 Ų | 241 | 92.9 Ų | 92.9 | 100% | 1.187 | 46% | 0.464 | S | S | * | . | 0 | 121.4 | 0 | -71.1 | 175.2 | 178.3 | 0 | 0 | 106.5 | |||||
| 2 | N | 68.5 | Low | 86.6 | Confident | 152 Ų | 152 | 85.2 Ų | 85.2 | 81% | 0.813 | 43% | 0.426 | S | S | * | . | trans | -66.6 | 141.3 | 173.2 | -85.6 | 2.3 | 0 | 0 | 0 | 108.5 | ||||
| 3 | P | 76.8 | Confident | 87.3 | Confident | 76 Ų | 76 | 78.7 Ų | 78.7 | 49% | 0.494 | 39% | 0.393 | S | S | . | . | trans | -61.8 | 138.4 | 172.8 | 24.5 | -30.7 | 0 | 0 | 0 | 110.1 | Y5 | P3-Y5 HydrophobicContact CB-CD1 3.76Å; P3-Y5 HydrophobicContact CB-CD2 4.44Å; P3-Y5 HydrophobicContact CB-CE1 3.47Å; P3-Y5 VanDerWaalsContact CB-CE1 3.47Å; P3-Y5 HydrophobicContact CB-CE2 4.18Å; P3-Y5 HydrophobicContact CB-CG 4.25Å; P3-Y5 PolarHBondContact O-N 3.13Å | ||
| 4 | D | 87.7 | Confident | 87.8 | Confident | 157 Ų | 157 | 73.1 Ų | 73.1 | 84% | 0.84 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -73.8 | 26.4 | 174.9 | -55.8 | -42 | 0 | 0 | 0 | 112.7 | V56 | D4-V56 WeakPolarHBondContact O-CG1 3.39Š|
| 5 | Y | 91.3 | Very high | 88.3 | Confident | 72 Ų | 72 | 68.2 Ų | 68.2 | 28% | 0.282 | 34% | 0.341 | S | S | . | . | trans | -147 | 146.2 | -178.5 | 63 | -94.7 | 0 | 0 | 0 | 111.1 | P3 Y7 L8 V56 K58 | P3-Y5 HydrophobicContact CB-CD1 3.76Å; P3-Y5 HydrophobicContact CB-CD2 4.44Å; P3-Y5 HydrophobicContact CB-CE1 3.47Å; P3-Y5 VanDerWaalsContact CB-CE1 3.47Å; P3-Y5 HydrophobicContact CB-CE2 4.18Å; P3-Y5 HydrophobicContact CB-CG 4.25Å; P3-Y5 PolarHBondContact O-N 3.13Å; Y5-Y7 VanDerWaalsContact CD2-C 3.49Å; Y5-Y7 WeakPolarHBondContact CD2-O 3.4Å; Y5-L8 HydrophobicContact CD2-CB 4.36Å; Y5-L8 HydrophobicContact CE2-CB 3.66Å; Y5-V56 CarbonylContact C-O 3.5Å; Y5-K58 HydrophobicContact CD1-CB 4.37Å; Y5-K58 HydrophobicContact CD1-CD 4.24Å; Y5-K58 HydrophobicContact CD2-CB 4.44Å; Y5-K58 HydrophobicContact CE1-CD 4.33Å; Y5-K58 HydrophobicContact CG-CB 4.11Å | ||
| 6 | D | 92.2 | Very high | 88.7 | Confident | 74 Ų | 74 | 65.2 Ų | 65.2 | 40% | 0.396 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -77.4 | -39.8 | 175.7 | -64.9 | -91.8 | 0 | 0 | 0 | 111.6 | K55 V56 | D6-K55 HydrophobicContact CB-CB 4.17Å; D6-K55 HydrophobicContact CB-CD 3.94Å; D6-K55 VanDerWaalsContact CG-CD 3.41Å; D6-K55 WeakPolarHBondContact OD1-CD 3.3Å; D6-K55 IonicContact OD1-NZ 3.48Å; D6-K55 PolarHBondContact OD1-NZ 2.75Å; D6-K55 WeakPolarHBondContact OD2-CA 3.46Å; D6-V56 PolarHBondContact N-O 3.24Å; D6-V56 PolarHBondContact OD2-N 2.84Å |
| 7 | Y | 93.5 | Very high | 88.9 | Confident | 110 Ų | 110 | 64.1 Ų | 64.1 | 43% | 0.431 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 144.4 | -176 | -57.9 | -76.7 | 0 | 0 | 0 | 112.7 | Y5 K55 V56 V57 K58 | Y5-Y7 VanDerWaalsContact CD2-C 3.49Å; Y5-Y7 WeakPolarHBondContact CD2-O 3.4Å; Y7-K55 HydrophobicContact CD2-CB 4.2Å; Y7-K55 HydrophobicContact CE2-CB 4.08Å; Y7-K55 HydrophobicContact CE2-CD 4.19Å; Y7-K55 HydrophobicContact CE2-CG 4Å; Y7-V56 PolarHBondContact N-O 2.83Å; Y7-V57 HydrophobicContact CD2-CG2 4.2Å; Y7-V57 WeakPolarHBondContact O-CA 3.37Å; Y7-K58 PolarHBondContact O-N 3.07Å |
| 8 | L | 94.3 | Very high | 89.2 | Confident | 55 Ų | 55 | 62.2 Ų | 62.2 | 29% | 0.288 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 118.4 | 169.3 | -175.7 | 68.7 | 0 | 0 | 0 | 108.6 | Y5 K58 Q60 Q82 | Y5-L8 HydrophobicContact CD2-CB 4.36Å; Y5-L8 HydrophobicContact CE2-CB 3.66Å; L8-K58 WeakPolarHBondContact CA-O 3.3Å; L8-K58 HydrophobicContact CD1-CB 3.85Å; L8-K58 HydrophobicContact CD1-CD 3.98Å; L8-K58 HydrophobicContact CD1-CG 3.73Å; L8-Q60 HydrophobicContact CD1-CG 3.79Å; L8-Q82 PolarHBondContact O-OE1 3.39Å |
| 9 | L | 95.7 | Very high | 89.6 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 132.4 | 179.4 | -53.2 | -176.2 | 0 | 0 | 0 | 110.9 | V57 K58 L59 Q60 Q82 A166 I169 | L9-V57 HydrophobicContact CD1-CG1 3.68Å; L9-V57 HydrophobicContact CG-CG1 3.73Å; L9-K58 PolarHBondContact N-O 2.9Å; L9-L59 HydrophobicContact CB-CD2 3.84Å; L9-L59 HydrophobicContact CD1-CD2 4.04Å; L9-L59 HydrophobicContact CG-CD2 4.31Å; L9-L59 CarbonylContact O-C 3.4Å; L9-L59 WeakPolarHBondContact O-CA 3.36Å; L9-Q60 PolarHBondContact O-N 3.11Å; L9-Q82 VanDerWaalsContact CA-OE1 3.31Å; L9-A166 HydrophobicContact CD1-CB 3.99Å; L9-I169 HydrophobicContact CD1-CB 4.31Å; L9-I169 HydrophobicContact CD1-CD1 4.28Å; L9-I169 HydrophobicContact CD1-CG2 4.26Å; L9-I169 HydrophobicContact CD2-CG2 3.83Å |
| 10 | K | 95.4 | Very high | 89.9 | Confident | 78 Ų | 78 | 56.5 Ų | 56.5 | 34% | 0.339 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 117 | 176.2 | -66.8 | -179.4 | 179.6 | -177.7 | 0 | 110.3 | Q60 G80 Q82 G83 | K10-Q60 CarbonylContact C-O 3.59Å; K10-Q60 WeakPolarHBondContact CA-O 3.05Å; K10-Q60 VanDerWaalsContact CE-OE1 3.32Å; K10-Q60 HydrophobicContact CG-CB 4.16Å; K10-G80 WeakPolarHBondContact CD-O 3.34Å; K10-Q82 PolarHBondContact O-N 3.04Å; K10-G83 PolarHBondContact O-N 3.1Å |
| 11 | L | 96.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 141.3 | 178 | -53.2 | -171.6 | 0 | 0 | 0 | 110.3 | L59 Q60 I61 W62 G83 F162 M165 I169 | L11-L59 HydrophobicContact CD1-CD1 4.19Å; L11-L59 HydrophobicContact CD1-CD2 4.31Å; L11-Q60 PolarHBondContact N-O 2.94Å; L11-I61 HydrophobicContact CB-CG1 4.27Å; L11-I61 HydrophobicContact CB-CG2 4.39Å; L11-I61 HydrophobicContact CD1-CG1 4.29Å; L11-I61 WeakPolarHBondContact O-CA 3.2Å; L11-W62 PolarHBondContact O-N 2.78Å; L11-G83 VanDerWaalsContact CA-O 3.31Å; L11-G83 WeakPolarHBondContact CA-O 3.45Å; L11-F162 HydrophobicContact CD1-CD1 4.03Å; L11-M165 HydrophobicContact CD1-CG 4.15Å; L11-M165 HydrophobicContact CD2-CG 3.6Å; L11-I169 HydrophobicContact CD2-CD1 3.36Å |
| 12 | L | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 127.9 | 174.6 | -170.9 | 67 | 0 | 0 | 0 | 109.6 | I14 W62 T64 Y78 A81 G83 I84 I85 | L12-I14 HydrophobicContact CD2-CG2 3.78Å; L12-I14 HydrophobicContact CG-CG2 3.78Å; L12-W62 HydrophobicContact CD1-CB 3.58Å; L12-T64 HydrophobicContact CD1-CG2 3.45Å; L12-T64 VanDerWaalsContact CD1-CG2 3.45Å; L12-T64 HydrophobicContact CG-CG2 4.16Å; L12-Y78 HydrophobicContact CD2-CD1 3.99Å; L12-Y78 HydrophobicContact CD2-CD2 4.13Å; L12-Y78 HydrophobicContact CD2-CE1 4.13Å; L12-Y78 HydrophobicContact CD2-CE2 4.31Å; L12-Y78 HydrophobicContact CD2-CG 3.98Å; L12-A81 HydrophobicContact CB-CB 4.18Å; L12-G83 PolarHBondContact N-O 3.33Å; L12-I84 HydrophobicContact CB-CG1 4.22Å; L12-I84 WeakPolarHBondContact O-CA 3.3Å; L12-I85 PolarHBondContact O-N 3.27Å |
| 13 | L | 96.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 122.1 | 170.6 | -54.2 | -177.3 | 0 | 0 | 0 | 109 | K21 L25 I61 W62 D63 T64 I85 F162 | L13-K21 HydrophobicContact CB-CB 4.26Å; L13-K21 HydrophobicContact CB-CD 4.38Å; L13-K21 HydrophobicContact CD1-CB 4.45Å; L13-L25 HydrophobicContact CD1-CB 3.89Å; L13-I61 HydrophobicContact CD1-CG2 4.2Å; L13-I61 HydrophobicContact CD2-CG2 4.4Å; L13-I61 HydrophobicContact CG-CG2 4.01Å; L13-W62 PolarHBondContact N-O 3.26Å; L13-D63 HydrophobicContact CD1-CB 4.37Å; L13-T64 PolarHBondContact O-N 2.97Å; L13-T64 PolarHBondContact O-OG1 3.37Å; L13-I85 HydrophobicContact CD2-CB 3.66Å; L13-I85 HydrophobicContact CD2-CD1 3.79Å; L13-I85 HydrophobicContact CD2-CG1 4.13Å; L13-I85 HydrophobicContact CD2-CG2 4.1Å; L13-F162 HydrophobicContact CD1-CZ 4.39Å; L13-F162 HydrophobicContact CD2-CE1 3.99Å; L13-F162 HydrophobicContact CD2-CZ 4.19Å |
| 14 | I | 94.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 166.9 | 176 | 70.8 | 174.3 | 0 | 0 | 0 | 110.9 | L12 K21 Y78 I84 I85 I86 V87 W102 I106 | L12-I14 HydrophobicContact CD2-CG2 3.78Å; L12-I14 HydrophobicContact CG-CG2 3.78Å; I14-K21 WeakPolarHBondContact O-CD 3.4Å; I14-Y78 HydrophobicContact CD1-CE1 4Å; I14-Y78 WeakPolarHBondContact CD1-OH 3.48Å; I14-Y78 HydrophobicContact CG2-CE1 4.4Å; I14-I84 HydrophobicContact CD1-CG2 3.67Å; I14-I84 HydrophobicContact CG1-CG2 3.84Å; I14-I84 HydrophobicContact CG2-CG2 4.42Å; I14-I85 PolarHBondContact N-O 2.63Å; I14-I86 HydrophobicContact CD1-CG1 4.03Å; I14-I86 HydrophobicContact CG1-CB 4.3Å; I14-I86 HydrophobicContact CG1-CG1 3.96Å; I14-I86 HydrophobicContact CG1-CG2 4.3Å; I14-V87 PolarHBondContact O-N 2.92Å; I14-W102 HydrophobicContact CB-CE3 4.02Å; I14-W102 HydrophobicContact CB-CZ3 4.24Å; I14-W102 HydrophobicContact CD1-CB 3.97Å; I14-W102 HydrophobicContact CD1-CD2 4.4Å; I14-W102 HydrophobicContact CD1-CE3 3.94Å; I14-W102 HydrophobicContact CD1-CG 4.47Å; I14-W102 HydrophobicContact CG1-CE3 4.29Å; I14-I106 HydrophobicContact CD1-CD1 3.85Å; I14-I106 HydrophobicContact CD1-CG1 3.9Å |
| 15 | G | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | 134.8 | 168.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K21 G66 V87 W102 | G15-K21 PolarHBondContact O-NZ 2.92Å; G15-G66 VanDerWaalsContact O-CA 3.22Å; G15-G66 WeakPolarHBondContact O-CA 3.29Å; G15-V87 WeakPolarHBondContact CA-O 3.44Å; G15-W102 VanDerWaalsContact O-CZ2 3.3Å; G15-W102 WeakPolarHBondContact O-CZ2 3.26Å | ||
| 16 | D | 94 | Very high | 95.1 | Very high | 20 Ų | 20 | 27 Ų | 27 | 11% | 0.107 | 15% | 0.15 | C | C | . | . | trans | -61.5 | 165.6 | -174.1 | -73.4 | 8.1 | 0 | 0 | 0 | 113.1 | V19 K21 T95 N98 W102 | D16-V19 HydrophobicContact CB-CG1 3.8Å; D16-V19 VanDerWaalsContact O-CG2 3.23Å; D16-V19 WeakPolarHBondContact O-CG2 3.09Å; D16-K21 PolarHBondContact O-NZ 3.12Å; D16-T95 HydrophobicContact CB-CG2 4.11Å; D16-N98 WeakPolarHBondContact OD2-CB 3.24Å; D16-N98 PolarHBondContact OD2-ND2 2.89Å; D16-W102 PolarHBondContact OD1-NE1 2.98Å | ||
| 17 | S | 92.7 | Very high | 95.2 | Very high | 47 Ų | 47 | 26 Ų | 26 | 33% | 0.329 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 139.6 | 173.4 | -148.7 | 0 | 0 | 0 | 0 | 110.3 | V19 Y37 G66 | S17-V19 VanDerWaalsContact C-N 3.29Å; S17-V19 PolarHBondContact O-N 3.46Å; S17-Y37 PolarHBondContact OG-OH 3.39Å; S17-G66 PolarHBondContact N-O 3.39Å |
| 18 | G | 93.5 | Very high | 95.4 | Very high | 29 Ų | 29 | 20.8 Ų | 20.8 | 30% | 0.299 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | -5.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | G20 K122 | G18-G20 PolarHBondContact O-N 3.47Å; G18-K122 WeakPolarHBondContact O-CE 3.16Å; G18-K122 PolarHBondContact O-NZ 2.58Å |
| 19 | V | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -68.3 | -16.5 | 177.2 | -56.1 | 0 | 0 | 0 | 0 | 113.6 | D16 S17 K21 V87 D89 T95 N121 | D16-V19 HydrophobicContact CB-CG1 3.8Å; D16-V19 VanDerWaalsContact O-CG2 3.23Å; D16-V19 WeakPolarHBondContact O-CG2 3.09Å; S17-V19 VanDerWaalsContact C-N 3.29Å; S17-V19 PolarHBondContact O-N 3.46Å; V19-K21 HydrophobicContact CG2-CD 4.35Å; V19-K21 HydrophobicContact CG2-CG 3.68Å; V19-V87 HydrophobicContact CB-CG1 4.27Å; V19-V87 HydrophobicContact CG2-CB 3.88Å; V19-V87 HydrophobicContact CG2-CG1 3.82Å; V19-D89 HydrophobicContact CB-CB 4.45Å; V19-D89 HydrophobicContact CG1-CB 4.35Å; V19-T95 HydrophobicContact CG1-CG2 3.76Å; V19-N121 PolarHBondContact O-ND2 3.44Å |
| 20 | G | 96.2 | Very high | 95 | Very high | 11 Ų | 11 | 22.5 Ų | 22.5 | 11% | 0.113 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 101.5 | 23.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | G18 C23 L24 | G18-G20 PolarHBondContact O-N 3.47Å; G20-C23 PolarHBondContact O-N 2.99Å; G20-L24 WeakPolarHBondContact O-CG 3.27Å; G20-L24 PolarHBondContact O-N 3.44Å |
| 21 | K | 96.1 | Very high | 94.9 | Very high | 10 Ų | 10 | 26 Ų | 26 | 4% | 0.043 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -53.4 | -53.8 | 176.5 | -57.2 | -174.7 | -60.8 | -73.7 | 0 | 113 | L13 I14 G15 D16 V19 C23 L24 L25 D63 T64 V87 | L13-K21 HydrophobicContact CB-CB 4.26Å; L13-K21 HydrophobicContact CB-CD 4.38Å; L13-K21 HydrophobicContact CD1-CB 4.45Å; I14-K21 WeakPolarHBondContact O-CD 3.4Å; G15-K21 PolarHBondContact O-NZ 2.92Å; D16-K21 PolarHBondContact O-NZ 3.12Å; V19-K21 HydrophobicContact CG2-CD 4.35Å; V19-K21 HydrophobicContact CG2-CG 3.68Å; K21-C23 VanDerWaalsContact C-N 3.28Å; K21-C23 PolarHBondContact O-N 3.49Å; K21-L24 WeakPolarHBondContact O-CB 3.43Å; K21-L24 PolarHBondContact O-N 3.13Å; K21-L24 VanDerWaalsContact O-N 3.16Å; K21-L25 PolarHBondContact O-N 3.24Å; K21-D63 WeakPolarHBondContact CB-OD1 3.16Å; K21-T64 WeakPolarHBondContact CE-O 3.44Å; K21-V87 HydrophobicContact CG-CB 3.96Å; K21-V87 HydrophobicContact CG-CG2 3.99Å |
| 22 | S | 94.7 | Very high | 94.5 | Very high | 30 Ų | 30 | 29.3 Ų | 29.3 | 21% | 0.21 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63 | -36 | 178.3 | -38.5 | 0 | 0 | 0 | 0 | 112 | L25 L26 T40 D63 | S22-L25 PolarHBondContact O-N 2.96Å; S22-L26 WeakPolarHBondContact O-CB 3.5Å; S22-L26 VanDerWaalsContact O-CG 3.29Å; S22-L26 WeakPolarHBondContact O-CG 3.35Å; S22-L26 PolarHBondContact O-N 3.39Å; S22-T40 PolarHBondContact OG-OG1 2.97Å; S22-D63 WeakPolarHBondContact CA-OD2 3.38Å; S22-D63 VanDerWaalsContact CB-OD2 3.24Å; S22-D63 WeakPolarHBondContact CB-OD2 3.46Å; S22-D63 PolarHBondContact OG-OD2 3.04Å |
| 23 | C | 95.9 | Very high | 94.1 | Very high | 35 Ų | 35 | 32.7 Ų | 32.7 | 24% | 0.236 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67 | -39.5 | 176.3 | -52.2 | 0 | 0 | 0 | 0 | 111.7 | G20 K21 R27 F33 A152 | G20-C23 PolarHBondContact O-N 2.99Å; K21-C23 VanDerWaalsContact C-N 3.28Å; K21-C23 PolarHBondContact O-N 3.49Å; C23-R27 WeakPolarHBondContact O-CB 3.43Å; C23-R27 PolarHBondContact O-N 3.12Å; C23-F33 HydrophobicContact CB-CD2 4.24Å; C23-F33 HydrophobicContact CB-CE2 4.16Å; C23-A152 HydrophobicContact CB-CB 3.61Å |
| 24 | L | 97 | Very high | 93.5 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.4 | -43.9 | 172.3 | -72.5 | 170.3 | 0 | 0 | 0 | 111.1 | G20 K21 R27 F28 V87 V119 N121 T150 A152 V158 | G20-L24 WeakPolarHBondContact O-CG 3.27Å; G20-L24 PolarHBondContact O-N 3.44Å; K21-L24 WeakPolarHBondContact O-CB 3.43Å; K21-L24 PolarHBondContact O-N 3.13Å; K21-L24 VanDerWaalsContact O-N 3.16Å; L24-R27 PolarHBondContact O-N 3.49Å; L24-F28 VanDerWaalsContact O-CB 3.31Å; L24-F28 WeakPolarHBondContact O-CB 3.47Å; L24-F28 PolarHBondContact O-N 3.13Å; L24-V87 HydrophobicContact CD1-CG1 3.84Å; L24-V87 HydrophobicContact CD1-CG2 4.07Å; L24-V119 HydrophobicContact CD1-CG1 4.07Å; L24-N121 HydrophobicContact CD1-CB 4.29Å; L24-T150 WeakPolarHBondContact CD2-OG1 3.41Å; L24-A152 HydrophobicContact CD2-CB 3.97Å; L24-A152 HydrophobicContact CG-CB 4.21Å; L24-V158 HydrophobicContact CD2-CG1 4.24Å; L24-V158 HydrophobicContact CD2-CG2 3.72Å |
| 25 | L | 95.9 | Very high | 93 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.4 | -48.1 | 177.3 | -178 | 55.2 | 0 | 0 | 0 | 111.8 | L13 K21 S22 F28 A29 K46 I61 D63 | L13-L25 HydrophobicContact CD1-CB 3.89Å; K21-L25 PolarHBondContact O-N 3.24Å; S22-L25 PolarHBondContact O-N 2.96Å; L25-F28 PolarHBondContact O-N 3.03Å; L25-A29 WeakPolarHBondContact O-CB 3.3Å; L25-A29 PolarHBondContact O-N 2.86Å; L25-K46 HydrophobicContact CD1-CB 3.93Å; L25-K46 HydrophobicContact CD1-CG 4.2Å; L25-K46 HydrophobicContact CD2-CB 4.21Å; L25-K46 HydrophobicContact CD2-CG 3.9Å; L25-K46 HydrophobicContact CG-CB 4.24Å; L25-K46 HydrophobicContact CG-CG 3.97Å; L25-I61 HydrophobicContact CD1-CB 3.75Å; L25-I61 HydrophobicContact CD1-CD1 3.94Å; L25-I61 HydrophobicContact CD1-CG1 4.46Å; L25-I61 HydrophobicContact CD1-CG2 3.55Å; L25-D63 HydrophobicContact CD2-CB 3.59Å |
| 26 | L | 93.8 | Very high | 92.3 | Very high | 53 Ų | 53 | 48.2 Ų | 48.2 | 28% | 0.277 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 178.6 | -71.1 | 173.7 | 0 | 0 | 0 | 111.9 | S22 F28 A29 D30 E31 | S22-L26 WeakPolarHBondContact O-CB 3.5Å; S22-L26 VanDerWaalsContact O-CG 3.29Å; S22-L26 WeakPolarHBondContact O-CG 3.35Å; S22-L26 PolarHBondContact O-N 3.39Å; L26-F28 VanDerWaalsContact C-N 3.3Å; L26-F28 PolarHBondContact O-N 2.98Å; L26-A29 PolarHBondContact O-N 3.07Å; L26-D30 WeakPolarHBondContact O-CA 3.23Å; L26-D30 PolarHBondContact O-N 3.16Å; L26-E31 PolarHBondContact O-N 2.95Å |
| 27 | R | 96 | Very high | 91.6 | Very high | 51 Ų | 51 | 53.4 Ų | 53.4 | 19% | 0.192 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62 | -41.3 | 176.7 | 176.4 | 56.6 | 74.2 | -171.5 | 9.8 | 111.2 | C23 L24 E31 T32 A152 K153 A155 V158 | C23-R27 WeakPolarHBondContact O-CB 3.43Å; C23-R27 PolarHBondContact O-N 3.12Å; L24-R27 PolarHBondContact O-N 3.49Å; R27-E31 VanDerWaalsContact NH1-C 3.28Å; R27-E31 PolarHBondContact NH1-O 3.36Å; R27-E31 WeakPolarHBondContact O-CA 3.49Å; R27-E31 PolarHBondContact O-N 3.46Å; R27-T32 VanDerWaalsContact CA-O 3.31Å; R27-T32 WeakPolarHBondContact CA-O 3.5Å; R27-T32 PolarHBondContact N-O 2.89Å; R27-A152 PolarHBondContact NE-O 2.97Å; R27-K153 PolarHBondContact NH2-O 3.04Å; R27-A155 HydrophobicContact CG-CB 4.09Å; R27-V158 HydrophobicContact CB-CG1 4.16Å; R27-V158 HydrophobicContact CG-CB 4.08Å; R27-V158 HydrophobicContact CG-CG1 3.87Å; R27-V158 HydrophobicContact CG-CG2 3.92Å |
| 28 | F | 96.1 | Very high | 91 | Very high | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -72.4 | -47.2 | 176.1 | -178.3 | -107.3 | 0 | 0 | 0 | 112.2 | L24 L25 L26 R48 I50 L59 I61 V158 E159 F162 | L24-F28 VanDerWaalsContact O-CB 3.31Å; L24-F28 WeakPolarHBondContact O-CB 3.47Å; L24-F28 PolarHBondContact O-N 3.13Å; L25-F28 PolarHBondContact O-N 3.03Å; L26-F28 VanDerWaalsContact C-N 3.3Å; L26-F28 PolarHBondContact O-N 2.98Å; F28-R48 HydrophobicContact CE1-CB 3.91Å; F28-R48 HydrophobicContact CE1-CG 4.16Å; F28-R48 HydrophobicContact CZ-CG 4.46Å; F28-R48 VanDerWaalsContact O-CD 3.3Å; F28-R48 WeakPolarHBondContact O-CD 3.37Å; F28-R48 VanDerWaalsContact O-CZ 3.28Å; F28-R48 PolarHBondContact O-NE 2.69Å; F28-R48 PolarHBondContact O-NH1 3.17Å; F28-I50 HydrophobicContact CZ-CG2 4.09Å; F28-L59 HydrophobicContact CE1-CD1 4Å; F28-L59 HydrophobicContact CZ-CD1 3.89Å; F28-I61 HydrophobicContact CD1-CD1 3.61Å; F28-I61 HydrophobicContact CE1-CD1 3.54Å; F28-V158 HydrophobicContact CB-CG1 3.94Å; F28-E159 WeakPolarHBondContact CD2-OE2 3.41Å; F28-E159 WeakPolarHBondContact CE2-OE2 3.3Å; F28-F162 HydrophobicContact CB-CD2 3.65Å; F28-F162 HydrophobicContact CB-CE2 3.44Å; F28-F162 VanDerWaalsContact CB-CE2 3.44Å; F28-F162 HydrophobicContact CB-CZ 4.16Å; F28-F162 HydrophobicContact CD1-CB 4.38Å; F28-F162 HydrophobicContact CD1-CD1 4.13Å; F28-F162 AromaticContact CD1-CD2 3.83Å; F28-F162 HydrophobicContact CD1-CD2 3.83Å; F28-F162 HydrophobicContact CD1-CE1 4.38Å; F28-F162 HydrophobicContact CD1-CE2 4.1Å; F28-F162 AromaticContact CD1-CG 3.85Å; F28-F162 HydrophobicContact CD1-CG 3.85Å; F28-F162 HydrophobicContact CD1-CZ 4.36Å; F28-F162 HydrophobicContact CD2-CB 3.85Å; F28-F162 AromaticContact CD2-CD2 3.33Å; F28-F162 HydrophobicContact CD2-CD2 3.33Å; F28-F162 HydrophobicContact CD2-CE2 4.08Å; F28-F162 AromaticContact CD2-CG 3.76Å; F28-F162 HydrophobicContact CD2-CG 3.76Å; F28-F162 HydrophobicContact CE1-CB 4Å; F28-F162 HydrophobicContact CE1-CD1 4.19Å; F28-F162 HydrophobicContact CE1-CD2 4.31Å; F28-F162 AromaticContact CE1-CG 3.92Å; F28-F162 HydrophobicContact CE1-CG 3.92Å; F28-F162 HydrophobicContact CE2-CB 3.43Å; F28-F162 VanDerWaalsContact CE2-CB 3.43Å; F28-F162 AromaticContact CE2-CD2 3.89Å; F28-F162 HydrophobicContact CE2-CD2 3.89Å; F28-F162 AromaticContact CE2-CG 3.84Å; F28-F162 HydrophobicContact CE2-CG 3.84Å; F28-F162 HydrophobicContact CG-CB 4.32Å; F28-F162 HydrophobicContact CG-CD1 4.44Å; F28-F162 AromaticContact CG-CD2 3.3Å; F28-F162 HydrophobicContact CG-CD2 3.3Å; F28-F162 AromaticContact CG-CE2 3.62Å; F28-F162 HydrophobicContact CG-CE2 3.62Å; F28-F162 AromaticContact CG-CG 3.78Å; F28-F162 HydrophobicContact CG-CG 3.78Å; F28-F162 HydrophobicContact CG-CZ 4.3Å; F28-F162 HydrophobicContact CZ-CB 3.52Å; F28-F162 HydrophobicContact CZ-CD2 4.35Å; F28-F162 AromaticContact CZ-CG 3.92Å; F28-F162 HydrophobicContact CZ-CG 3.92Å |
| 29 | A | 92.6 | Very high | 90.4 | Very high | 25 Ų | 25 | 57.7 Ų | 57.7 | 21% | 0.207 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -76.2 | -39.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L25 L26 K46 | L25-A29 WeakPolarHBondContact O-CB 3.3Å; L25-A29 PolarHBondContact O-N 2.86Å; L26-A29 PolarHBondContact O-N 3.07Å; A29-K46 HydrophobicContact CB-CB 4.11Å; A29-K46 HydrophobicContact CB-CD 4.1Å; A29-K46 HydrophobicContact CB-CG 4.02Å |
| 30 | D | 90.7 | Very high | 89.4 | Confident | 73 Ų | 73 | 59 Ų | 59 | 39% | 0.39 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -126.3 | 1.3 | -165.4 | -53.3 | -22.8 | 0 | 0 | 0 | 113 | L26 T32 K46 | L26-D30 WeakPolarHBondContact O-CA 3.23Å; L26-D30 PolarHBondContact O-N 3.16Å; D30-T32 HydrophobicContact CB-CG2 4.33Å; D30-T32 WeakPolarHBondContact O-CG2 3.35Å; D30-T32 PolarHBondContact O-N 3.28Å; D30-T32 VanDerWaalsContact O-N 3.15Å; D30-K46 IonicContact OD1-NZ 2.75Å; D30-K46 PolarHBondContact OD1-NZ 2.66Å; D30-K46 IonicContact OD2-NZ 3.37Å; D30-K46 PolarHBondContact OD2-NZ 3.45Å |
| 31 | E | 91.5 | Very high | 88.5 | Confident | 152 Ų | 152 | 65.3 Ų | 65.3 | 71% | 0.71 | 34% | 0.339 | S | S | * | . | S | Bend | trans | 53.1 | 30.3 | -172.9 | -63.7 | -173.4 | 172.5 | 0 | 0 | 114.1 | L26 R27 | L26-E31 PolarHBondContact O-N 2.95Å; R27-E31 VanDerWaalsContact NH1-C 3.28Å; R27-E31 PolarHBondContact NH1-O 3.36Å; R27-E31 WeakPolarHBondContact O-CA 3.49Å; R27-E31 PolarHBondContact O-N 3.46Å |
| 32 | T | 90 | Very high | 87.5 | Confident | 70 Ų | 70 | 65.5 Ų | 65.5 | 43% | 0.429 | 34% | 0.343 | S | S | . | . | trans | -113.3 | 157.6 | 179.1 | 60.3 | 0 | 0 | 0 | 0 | 112.5 | R27 D30 | R27-T32 VanDerWaalsContact CA-O 3.31Å; R27-T32 WeakPolarHBondContact CA-O 3.5Å; R27-T32 PolarHBondContact N-O 2.89Å; D30-T32 HydrophobicContact CB-CG2 4.33Å; D30-T32 WeakPolarHBondContact O-CG2 3.35Å; D30-T32 PolarHBondContact O-N 3.28Å; D30-T32 VanDerWaalsContact O-N 3.15Å | ||
| 33 | F | 86.8 | Confident | 86.9 | Confident | 70 Ų | 70 | 65.7 Ų | 65.7 | 31% | 0.307 | 34% | 0.344 | S | S | . | . | trans | -141.6 | 135.8 | 171.9 | 175.7 | -102.9 | 0 | 0 | 0 | 109.7 | C23 E35 A152 K153 | C23-F33 HydrophobicContact CB-CD2 4.24Å; C23-F33 HydrophobicContact CB-CE2 4.16Å; F33-E35 HydrophobicContact CD1-CG 4.23Å; F33-E35 HydrophobicContact CE1-CB 4.47Å; F33-E35 HydrophobicContact CE1-CG 3.5Å; F33-E35 VanDerWaalsContact CE1-CG 3.5Å; F33-E35 HydrophobicContact CZ-CG 4.3Å; F33-A152 HydrophobicContact CD2-CB 4.18Å; F33-A152 WeakPolarHBondContact CD2-O 3.36Å; F33-A152 HydrophobicContact CE2-CB 4.2Å; F33-K153 HydrophobicContact CD1-CG 4.27Å; F33-K153 HydrophobicContact CE1-CB 4.03Å; F33-K153 HydrophobicContact CE1-CD 4.47Å; F33-K153 HydrophobicContact CE1-CG 3.74Å; F33-K153 HydrophobicContact CE2-CB 4.12Å; F33-K153 HydrophobicContact CZ-CB 3.82Å; F33-K153 HydrophobicContact CZ-CG 4.01Å | ||
| 34 | N | 83.8 | Confident | 86.4 | Confident | 80 Ų | 80 | 67.7 Ų | 67.7 | 43% | 0.428 | 35% | 0.352 | S | S | . | . | trans | -120.4 | 122.2 | 176 | -171 | -11.1 | 0 | 0 | 0 | 108.7 | T36 | N34-T36 PolarHBondContact O-N 3.02Å; N34-T36 VanDerWaalsContact OD1-CB 3.26Å; N34-T36 WeakPolarHBondContact OD1-CB 3.39Å; N34-T36 PolarHBondContact OD1-N 3.19Å; N34-T36 PolarHBondContact OD1-OG1 3Å | ||
| 35 | E | 83.1 | Confident | 86 | Confident | 154 Ų | 154 | 70.7 Ų | 70.7 | 72% | 0.72 | 37% | 0.365 | S | S | * | . | trans | -70.1 | -22.9 | 175.8 | -73.3 | -173.4 | 168.7 | 0 | 0 | 112.6 | F33 Y37 | F33-E35 HydrophobicContact CD1-CG 4.23Å; F33-E35 HydrophobicContact CE1-CB 4.47Å; F33-E35 HydrophobicContact CE1-CG 3.5Å; F33-E35 VanDerWaalsContact CE1-CG 3.5Å; F33-E35 HydrophobicContact CZ-CG 4.3Å; E35-Y37 PolarHBondContact O-N 3.39Å | ||
| 36 | T | 81.7 | Confident | 85.9 | Confident | 94 Ų | 94 | 73.2 Ų | 73.2 | 58% | 0.577 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -71.8 | 115.4 | 179 | -51.5 | 0 | 0 | 0 | 0 | 109.5 | N34 I38 | N34-T36 PolarHBondContact O-N 3.02Å; N34-T36 VanDerWaalsContact OD1-CB 3.26Å; N34-T36 WeakPolarHBondContact OD1-CB 3.39Å; N34-T36 PolarHBondContact OD1-N 3.19Å; N34-T36 PolarHBondContact OD1-OG1 3Å; T36-I38 HydrophobicContact CG2-CG1 4.3Å; T36-I38 PolarHBondContact O-N 3.08Å |
| 37 | Y | 78.4 | Confident | 85.9 | Confident | 128 Ų | 128 | 74.5 Ų | 74.5 | 50% | 0.502 | 38% | 0.382 | S | S | . | . | trans | -71.4 | 110.2 | 173.9 | 177 | -106.7 | 0 | 0 | 0 | 110.6 | S17 E35 S39 | S17-Y37 PolarHBondContact OG-OH 3.39Å; E35-Y37 PolarHBondContact O-N 3.39Å; Y37-S39 WeakPolarHBondContact CE1-OG 3.49Å; Y37-S39 PolarHBondContact OH-OG 2.97Å | ||
| 38 | I | 80.1 | Confident | 85.8 | Confident | 124 Ų | 124 | 74.8 Ų | 74.8 | 64% | 0.636 | 38% | 0.383 | S | S | * | . | trans | -110 | 120.1 | 169.6 | -57.2 | 175.7 | 0 | 0 | 0 | 106.8 | T36 T40 | T36-I38 HydrophobicContact CG2-CG1 4.3Å; T36-I38 PolarHBondContact O-N 3.08Å; I38-T40 PolarHBondContact O-N 3.41Å | ||
| 39 | S | 81.6 | Confident | 85.8 | Confident | 42 Ų | 42 | 78.2 Ų | 78.2 | 29% | 0.294 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 125.8 | 177.4 | -68.3 | 0 | 0 | 0 | 0 | 110.1 | Y37 I41 | Y37-S39 WeakPolarHBondContact CE1-OG 3.49Å; Y37-S39 PolarHBondContact OH-OG 2.97Å; S39-I41 PolarHBondContact O-N 3.07Å |
| 40 | T | 76.4 | Confident | 85.9 | Confident | 29 Ų | 29 | 77.7 Ų | 77.7 | 18% | 0.178 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 127.7 | 170.7 | -43.3 | 0 | 0 | 0 | 0 | 109.6 | S22 I38 D44 D63 A65 | S22-T40 PolarHBondContact OG-OG1 2.97Å; I38-T40 PolarHBondContact O-N 3.41Å; T40-D44 HydrophobicContact CG2-CB 4.46Å; T40-D63 PolarHBondContact OG1-OD2 3.37Å; T40-A65 VanDerWaalsContact O-CB 3.24Å; T40-A65 WeakPolarHBondContact O-CB 3.49Å |
| 41 | I | 75.9 | Confident | 86.1 | Confident | 142 Ų | 142 | 79.4 Ų | 79.4 | 73% | 0.728 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -100.4 | 118 | 174 | -59.7 | 176.2 | 0 | 0 | 0 | 107.3 | S39 V43 F70 | S39-I41 PolarHBondContact O-N 3.07Å; I41-V43 PolarHBondContact O-N 3.18Å; I41-F70 HydrophobicContact CG2-CZ 4.33Å |
| 42 | G | 74.8 | Confident | 86.1 | Confident | 14 Ų | 14 | 72.5 Ų | 72.5 | 14% | 0.144 | 38% | 0.375 | C | S | . | . | S | Bend | trans | 72.1 | -113.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A65 | G42-A65 WeakPolarHBondContact O-CB 3.36Å; G42-A65 PolarHBondContact O-N 3.32Å |
| 43 | V | 82 | Confident | 86.1 | Confident | 35 Ų | 35 | 75.3 Ų | 75.3 | 21% | 0.212 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 136.8 | -176.3 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | I41 W62 D63 T64 Y77 | I41-V43 PolarHBondContact O-N 3.18Å; V43-W62 HydrophobicContact CG1-CB 4.25Å; V43-W62 HydrophobicContact CG1-CE3 3.71Å; V43-D63 CarbonylContact C-O 3.58Å; V43-D63 WeakPolarHBondContact CA-O 3.44Å; V43-D63 WeakPolarHBondContact CG1-O 3.43Å; V43-T64 HydrophobicContact CG2-CG2 4.29Å; V43-Y77 HydrophobicContact CB-CE1 4.44Å; V43-Y77 HydrophobicContact CB-CE2 4.29Å; V43-Y77 HydrophobicContact CG1-CD1 4.35Å; V43-Y77 HydrophobicContact CG1-CE1 4Å; V43-Y77 HydrophobicContact CG2-CD2 4Å; V43-Y77 HydrophobicContact CG2-CE1 4.43Å; V43-Y77 HydrophobicContact CG2-CE2 3.54Å |
| 44 | D | 87.1 | Confident | 86.4 | Confident | 76 Ų | 76 | 74.7 Ų | 74.7 | 41% | 0.406 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 158.6 | 169.3 | -165.6 | 13.6 | 0 | 0 | 0 | 110.5 | T40 W62 D63 | T40-D44 HydrophobicContact CG2-CB 4.46Å; D44-W62 WeakPolarHBondContact O-CA 3.3Å; D44-D63 HydrophobicContact CB-CB 4.34Å; D44-D63 PolarHBondContact N-O 3.18Å; D44-D63 PolarHBondContact O-N 3.17Å |
| 45 | F | 88.8 | Confident | 86.8 | Confident | 69 Ų | 69 | 74.8 Ų | 74.8 | 30% | 0.303 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 127.4 | -171.5 | 176.2 | -104.6 | 0 | 0 | 0 | 112.2 | I47 Q60 I61 W62 | F45-I47 HydrophobicContact CE1-CD1 3.68Å; F45-I47 HydrophobicContact CE1-CG1 3.48Å; F45-I47 VanDerWaalsContact CE1-CG1 3.48Å; F45-I47 HydrophobicContact CE2-CG1 4.36Å; F45-I47 HydrophobicContact CZ-CD1 3.69Å; F45-I47 HydrophobicContact CZ-CG1 3.4Å; F45-Q60 HydrophobicContact CE2-CB 3.79Å; F45-Q60 HydrophobicContact CE2-CG 3.97Å; F45-Q60 HydrophobicContact CZ-CB 4.18Å; F45-Q60 HydrophobicContact CZ-CG 3.83Å; F45-I61 WeakPolarHBondContact CA-O 3.32Å; F45-W62 HydrophobicContact CB-CE3 4.03Å; F45-W62 HydrophobicContact CB-CZ3 4.03Å; F45-W62 AromaticContact CD2-CD2 3.58Å; F45-W62 HydrophobicContact CD2-CD2 3.58Å; F45-W62 AromaticContact CD2-CE2 3.55Å; F45-W62 AromaticContact CD2-CE3 3.69Å; F45-W62 HydrophobicContact CD2-CE3 3.69Å; F45-W62 HydrophobicContact CD2-CG 4.2Å; F45-W62 AromaticContact CD2-CH2 3.89Å; F45-W62 HydrophobicContact CD2-CH2 3.89Å; F45-W62 AromaticContact CD2-CZ2 3.74Å; F45-W62 HydrophobicContact CD2-CZ2 3.74Å; F45-W62 AromaticContact CD2-CZ3 3.84Å; F45-W62 HydrophobicContact CD2-CZ3 3.84Å; F45-W62 HydrophobicContact CE2-CD2 4.16Å; F45-W62 AromaticContact CE2-CE2 3.66Å; F45-W62 HydrophobicContact CE2-CH2 4.22Å; F45-W62 AromaticContact CE2-CZ2 3.71Å; F45-W62 HydrophobicContact CE2-CZ2 3.71Å; F45-W62 AromaticContact CE2-NE1 3.88Å; F45-W62 HydrophobicContact CG-CE3 4.22Å; F45-W62 HydrophobicContact CG-CH2 4.34Å; F45-W62 HydrophobicContact CG-CZ3 4.12Å |
| 46 | K | 93.1 | Very high | 87.3 | Confident | 56 Ų | 56 | 70 Ų | 70 | 24% | 0.243 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 149.8 | 172.9 | -69.7 | -76.6 | -167.7 | 155.5 | 0 | 110.9 | L25 A29 D30 I61 | L25-K46 HydrophobicContact CD1-CB 3.93Å; L25-K46 HydrophobicContact CD1-CG 4.2Å; L25-K46 HydrophobicContact CD2-CB 4.21Å; L25-K46 HydrophobicContact CD2-CG 3.9Å; L25-K46 HydrophobicContact CG-CB 4.24Å; L25-K46 HydrophobicContact CG-CG 3.97Å; A29-K46 HydrophobicContact CB-CB 4.11Å; A29-K46 HydrophobicContact CB-CD 4.1Å; A29-K46 HydrophobicContact CB-CG 4.02Å; D30-K46 IonicContact OD1-NZ 2.75Å; D30-K46 PolarHBondContact OD1-NZ 2.66Å; D30-K46 IonicContact OD2-NZ 3.37Å; D30-K46 PolarHBondContact OD2-NZ 3.45Å; K46-I61 PolarHBondContact N-O 2.81Å; K46-I61 PolarHBondContact O-N 3.05Å |
| 47 | I | 93.5 | Very high | 88 | Confident | 80 Ų | 80 | 65.5 Ų | 65.5 | 41% | 0.41 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 129.7 | 170.2 | -60.2 | -178.2 | 0 | 0 | 0 | 108.3 | F45 K58 L59 Q60 | F45-I47 HydrophobicContact CE1-CD1 3.68Å; F45-I47 HydrophobicContact CE1-CG1 3.48Å; F45-I47 VanDerWaalsContact CE1-CG1 3.48Å; F45-I47 HydrophobicContact CE2-CG1 4.36Å; F45-I47 HydrophobicContact CZ-CD1 3.69Å; F45-I47 HydrophobicContact CZ-CG1 3.4Å; I47-K58 HydrophobicContact CG2-CD 3.67Å; I47-K58 HydrophobicContact CG2-CG 3.46Å; I47-K58 VanDerWaalsContact CG2-CG 3.46Å; I47-L59 VanDerWaalsContact CA-O 3.25Å; I47-L59 WeakPolarHBondContact CA-O 3.18Å; I47-Q60 HydrophobicContact CD1-CG 4.44Å; I47-Q60 HydrophobicContact CG1-CG 4.24Å |
| 48 | R | 94.4 | Very high | 88.9 | Confident | 56 Ų | 56 | 62.4 Ų | 62.4 | 21% | 0.211 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 133.5 | 168.8 | -171 | 168 | 173.3 | -146.8 | -14.1 | 109.7 | F28 I50 L59 E159 | F28-R48 HydrophobicContact CE1-CB 3.91Å; F28-R48 HydrophobicContact CE1-CG 4.16Å; F28-R48 HydrophobicContact CZ-CG 4.46Å; F28-R48 VanDerWaalsContact O-CD 3.3Å; F28-R48 WeakPolarHBondContact O-CD 3.37Å; F28-R48 VanDerWaalsContact O-CZ 3.28Å; F28-R48 PolarHBondContact O-NE 2.69Å; F28-R48 PolarHBondContact O-NH1 3.17Å; R48-I50 HydrophobicContact CG-CG2 4.43Å; R48-L59 PolarHBondContact N-O 2.74Å; R48-L59 WeakPolarHBondContact O-CB 3.24Å; R48-L59 PolarHBondContact O-N 2.68Å; R48-E159 IonicContact CZ-OE1 2.69Å; R48-E159 IonicContact CZ-OE2 2.64Å; R48-E159 IonicContact NH1-OE1 3.22Å; R48-E159 PolarHBondContact NH1-OE1 2.55Å; R48-E159 IonicContact NH1-OE2 3.04Å; R48-E159 PolarHBondContact NH1-OE2 3.35Å; R48-E159 IonicContact NH2-OE1 3.42Å; R48-E159 PolarHBondContact NH2-OE1 2.83Å; R48-E159 IonicContact NH2-OE2 2.89Å; R48-E159 PolarHBondContact NH2-OE2 2.88Å |
| 49 | T | 95 | Very high | 89.7 | Confident | 74 Ų | 74 | 56.5 Ų | 56.5 | 45% | 0.454 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.7 | 172.5 | -56.7 | 0 | 0 | 0 | 0 | 108.7 | V56 V57 | T49-V56 HydrophobicContact CG2-CG1 3.38Å; T49-V57 CarbonylContact C-O 3.6Å; T49-V57 WeakPolarHBondContact CA-O 3.48Å |
| 50 | I | 95.2 | Very high | 90.3 | Very high | 13 Ų | 13 | 56.2 Ų | 56.2 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 156.2 | 177.8 | 60.5 | 169 | 0 | 0 | 0 | 109.6 | F28 R48 L52 V57 L59 L163 A166 | F28-I50 HydrophobicContact CZ-CG2 4.09Å; R48-I50 HydrophobicContact CG-CG2 4.43Å; I50-L52 HydrophobicContact CD1-CB 4.42Å; I50-V57 HydrophobicContact CD1-CB 4.43Å; I50-V57 HydrophobicContact CG1-CB 3.93Å; I50-V57 WeakPolarHBondContact CG1-O 3.45Å; I50-V57 PolarHBondContact N-O 3.37Å; I50-V57 PolarHBondContact O-N 3.31Å; I50-L59 HydrophobicContact CD1-CD1 3.83Å; I50-L59 HydrophobicContact CD1-CD2 4.33Å; I50-L59 HydrophobicContact CD1-CG 4.11Å; I50-L59 HydrophobicContact CG1-CD1 4.36Å; I50-L59 HydrophobicContact CG1-CG 4.29Å; I50-L59 HydrophobicContact CG2-CD1 4.46Å; I50-L163 HydrophobicContact CB-CD2 4.32Å; I50-L163 HydrophobicContact CD1-CD2 3.51Å; I50-L163 HydrophobicContact CG1-CD2 4.47Å; I50-L163 HydrophobicContact CG2-CD2 4.41Å; I50-A166 HydrophobicContact CD1-CB 4.05Å |
| 51 | D | 94.1 | Very high | 91.3 | Very high | 110 Ų | 110 | 54.8 Ų | 54.8 | 59% | 0.588 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 126.7 | 161.4 | -171.7 | -66.6 | 0 | 0 | 0 | 108.1 | G54 | D51-G54 WeakPolarHBondContact OD1-CA 3.5Å; D51-G54 PolarHBondContact OD1-N 3.33Å |
| 52 | L | 93.1 | Very high | 92.1 | Very high | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 108.6 | 174.2 | -168 | 70.8 | 0 | 0 | 0 | 109.5 | I50 G54 K55 V57 L163 A166 E167 Q170 | I50-L52 HydrophobicContact CD1-CB 4.42Å; L52-G54 VanDerWaalsContact C-N 3.29Å; L52-G54 PolarHBondContact O-N 2.86Å; L52-K55 PolarHBondContact N-O 3.47Å; L52-K55 VanDerWaalsContact O-CB 3.3Å; L52-K55 WeakPolarHBondContact O-CB 3.29Å; L52-K55 PolarHBondContact O-N 2.87Å; L52-V57 HydrophobicContact CB-CG2 3.85Å; L52-L163 HydrophobicContact CD1-CD2 4.43Å; L52-A166 HydrophobicContact CD2-CB 3.78Å; L52-E167 HydrophobicContact CD1-CG 3.53Å; L52-E167 HydrophobicContact CD2-CG 4.01Å; L52-E167 HydrophobicContact CG-CG 4.18Å; L52-Q170 HydrophobicContact CD2-CG 4.35Å |
| 53 | N | 90.2 | Very high | 92.9 | Very high | 129 Ų | 129 | 50.6 Ų | 50.6 | 69% | 0.69 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 40.2 | -177.7 | -58.6 | -47.3 | 0 | 0 | 0 | 113.3 | K55 | N53-K55 PolarHBondContact O-N 3.07Š|
| 54 | G | 91.4 | Very high | 93.2 | Very high | 58 Ų | 58 | 48.9 Ų | 48.9 | 60% | 0.598 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 13.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D51 L52 | D51-G54 WeakPolarHBondContact OD1-CA 3.5Å; D51-G54 PolarHBondContact OD1-N 3.33Å; L52-G54 VanDerWaalsContact C-N 3.29Å; L52-G54 PolarHBondContact O-N 2.86Å |
| 55 | K | 93 | Very high | 93 | Very high | 82 Ų | 82 | 45.4 Ų | 45.4 | 36% | 0.357 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 134.4 | 173.7 | -62.7 | -67.6 | -174.9 | -176.3 | 0 | 109.7 | D6 Y7 L52 N53 V57 | D6-K55 HydrophobicContact CB-CB 4.17Å; D6-K55 HydrophobicContact CB-CD 3.94Å; D6-K55 VanDerWaalsContact CG-CD 3.41Å; D6-K55 WeakPolarHBondContact OD1-CD 3.3Å; D6-K55 IonicContact OD1-NZ 3.48Å; D6-K55 PolarHBondContact OD1-NZ 2.75Å; D6-K55 WeakPolarHBondContact OD2-CA 3.46Å; Y7-K55 HydrophobicContact CD2-CB 4.2Å; Y7-K55 HydrophobicContact CE2-CB 4.08Å; Y7-K55 HydrophobicContact CE2-CD 4.19Å; Y7-K55 HydrophobicContact CE2-CG 4Å; L52-K55 PolarHBondContact N-O 3.47Å; L52-K55 VanDerWaalsContact O-CB 3.3Å; L52-K55 WeakPolarHBondContact O-CB 3.29Å; L52-K55 PolarHBondContact O-N 2.87Å; N53-K55 PolarHBondContact O-N 3.07Å; K55-V57 HydrophobicContact CB-CG2 4.46Å; K55-V57 PolarHBondContact O-N 3.11Å |
| 56 | V | 94.5 | Very high | 92.1 | Very high | 53 Ų | 53 | 42.5 Ų | 42.5 | 32% | 0.321 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 109.3 | 176.4 | -178.1 | 0 | 0 | 0 | 0 | 108 | D4 Y5 D6 Y7 T49 | D4-V56 WeakPolarHBondContact O-CG1 3.39Å; Y5-V56 CarbonylContact C-O 3.5Å; D6-V56 PolarHBondContact N-O 3.24Å; D6-V56 PolarHBondContact OD2-N 2.84Å; Y7-V56 PolarHBondContact N-O 2.83Å; T49-V56 HydrophobicContact CG2-CG1 3.38Å |
| 57 | V | 95.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.2 | -177.7 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | Y7 L9 T49 I50 L52 K55 L59 | Y7-V57 HydrophobicContact CD2-CG2 4.2Å; Y7-V57 WeakPolarHBondContact O-CA 3.37Å; L9-V57 HydrophobicContact CD1-CG1 3.68Å; L9-V57 HydrophobicContact CG-CG1 3.73Å; T49-V57 CarbonylContact C-O 3.6Å; T49-V57 WeakPolarHBondContact CA-O 3.48Å; I50-V57 HydrophobicContact CD1-CB 4.43Å; I50-V57 HydrophobicContact CG1-CB 3.93Å; I50-V57 WeakPolarHBondContact CG1-O 3.45Å; I50-V57 PolarHBondContact N-O 3.37Å; I50-V57 PolarHBondContact O-N 3.31Å; L52-V57 HydrophobicContact CB-CG2 3.85Å; K55-V57 HydrophobicContact CB-CG2 4.46Å; K55-V57 PolarHBondContact O-N 3.11Å; V57-L59 HydrophobicContact CG1-CD2 3.87Å |
| 58 | K | 96 | Very high | 89.3 | Confident | 62 Ų | 62 | 44 Ų | 44 | 27% | 0.27 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 115.5 | 172.2 | -176.2 | 168.3 | -84.4 | 178.9 | 0 | 109.5 | Y5 Y7 L8 L9 I47 | Y5-K58 HydrophobicContact CD1-CB 4.37Å; Y5-K58 HydrophobicContact CD1-CD 4.24Å; Y5-K58 HydrophobicContact CD2-CB 4.44Å; Y5-K58 HydrophobicContact CE1-CD 4.33Å; Y5-K58 HydrophobicContact CG-CB 4.11Å; Y7-K58 PolarHBondContact O-N 3.07Å; L8-K58 WeakPolarHBondContact CA-O 3.3Å; L8-K58 HydrophobicContact CD1-CB 3.85Å; L8-K58 HydrophobicContact CD1-CD 3.98Å; L8-K58 HydrophobicContact CD1-CG 3.73Å; L9-K58 PolarHBondContact N-O 2.9Å; I47-K58 HydrophobicContact CG2-CD 3.67Å; I47-K58 HydrophobicContact CG2-CG 3.46Å; I47-K58 VanDerWaalsContact CG2-CG 3.46Å |
| 59 | L | 96.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 126.5 | 173.8 | -56.7 | -175.8 | 0 | 0 | 0 | 109.8 | L9 L11 F28 I47 R48 I50 V57 I61 A166 | L9-L59 HydrophobicContact CB-CD2 3.84Å; L9-L59 HydrophobicContact CD1-CD2 4.04Å; L9-L59 HydrophobicContact CG-CD2 4.31Å; L9-L59 CarbonylContact O-C 3.4Å; L9-L59 WeakPolarHBondContact O-CA 3.36Å; L11-L59 HydrophobicContact CD1-CD1 4.19Å; L11-L59 HydrophobicContact CD1-CD2 4.31Å; F28-L59 HydrophobicContact CE1-CD1 4Å; F28-L59 HydrophobicContact CZ-CD1 3.89Å; I47-L59 VanDerWaalsContact CA-O 3.25Å; I47-L59 WeakPolarHBondContact CA-O 3.18Å; R48-L59 PolarHBondContact N-O 2.74Å; R48-L59 WeakPolarHBondContact O-CB 3.24Å; R48-L59 PolarHBondContact O-N 2.68Å; I50-L59 HydrophobicContact CD1-CD1 3.83Å; I50-L59 HydrophobicContact CD1-CD2 4.33Å; I50-L59 HydrophobicContact CD1-CG 4.11Å; I50-L59 HydrophobicContact CG1-CD1 4.36Å; I50-L59 HydrophobicContact CG1-CG 4.29Å; I50-L59 HydrophobicContact CG2-CD1 4.46Å; V57-L59 HydrophobicContact CG1-CD2 3.87Å; L59-I61 HydrophobicContact CB-CD1 4.24Å; L59-I61 HydrophobicContact CB-CG1 4.06Å; L59-A166 HydrophobicContact CD2-CB 4.11Å |
| 60 | Q | 95.8 | Very high | 86.1 | Confident | 36 Ų | 36 | 48.8 Ų | 48.8 | 17% | 0.168 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 106 | 168.3 | -80 | -168.8 | -9.1 | 0 | 0 | 108 | L8 L9 K10 L11 F45 I47 | L8-Q60 HydrophobicContact CD1-CG 3.79Å; L9-Q60 PolarHBondContact O-N 3.11Å; K10-Q60 CarbonylContact C-O 3.59Å; K10-Q60 WeakPolarHBondContact CA-O 3.05Å; K10-Q60 VanDerWaalsContact CE-OE1 3.32Å; K10-Q60 HydrophobicContact CG-CB 4.16Å; L11-Q60 PolarHBondContact N-O 2.94Å; F45-Q60 HydrophobicContact CE2-CB 3.79Å; F45-Q60 HydrophobicContact CE2-CG 3.97Å; F45-Q60 HydrophobicContact CZ-CB 4.18Å; F45-Q60 HydrophobicContact CZ-CG 3.83Å; I47-Q60 HydrophobicContact CD1-CG 4.44Å; I47-Q60 HydrophobicContact CG1-CG 4.24Å |
| 61 | I | 96 | Very high | 84.5 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 121.2 | -171.8 | -50.3 | 167.3 | 0 | 0 | 0 | 109.1 | L11 L13 L25 F28 F45 K46 L59 F162 | L11-I61 HydrophobicContact CB-CG1 4.27Å; L11-I61 HydrophobicContact CB-CG2 4.39Å; L11-I61 HydrophobicContact CD1-CG1 4.29Å; L11-I61 WeakPolarHBondContact O-CA 3.2Å; L13-I61 HydrophobicContact CD1-CG2 4.2Å; L13-I61 HydrophobicContact CD2-CG2 4.4Å; L13-I61 HydrophobicContact CG-CG2 4.01Å; L25-I61 HydrophobicContact CD1-CB 3.75Å; L25-I61 HydrophobicContact CD1-CD1 3.94Å; L25-I61 HydrophobicContact CD1-CG1 4.46Å; L25-I61 HydrophobicContact CD1-CG2 3.55Å; F28-I61 HydrophobicContact CD1-CD1 3.61Å; F28-I61 HydrophobicContact CE1-CD1 3.54Å; F45-I61 WeakPolarHBondContact CA-O 3.32Å; K46-I61 PolarHBondContact N-O 2.81Å; K46-I61 PolarHBondContact O-N 3.05Å; L59-I61 HydrophobicContact CB-CD1 4.24Å; L59-I61 HydrophobicContact CB-CG1 4.06Å; I61-F162 HydrophobicContact CD1-CD1 3.84Å; I61-F162 HydrophobicContact CD1-CE1 3.76Å; I61-F162 HydrophobicContact CG1-CE1 4.44Å; I61-F162 HydrophobicContact CG2-CE1 4.01Å |
| 62 | W | 93.8 | Very high | 83 | Confident | 66 Ų | 66 | 52.4 Ų | 52.4 | 25% | 0.25 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 117.8 | 178.6 | -60.7 | 89.6 | 0 | 0 | 0 | 108.9 | L11 L12 L13 V43 D44 F45 Y77 | L11-W62 PolarHBondContact O-N 2.78Å; L12-W62 HydrophobicContact CD1-CB 3.58Å; L13-W62 PolarHBondContact N-O 3.26Å; V43-W62 HydrophobicContact CG1-CB 4.25Å; V43-W62 HydrophobicContact CG1-CE3 3.71Å; D44-W62 WeakPolarHBondContact O-CA 3.3Å; F45-W62 HydrophobicContact CB-CE3 4.03Å; F45-W62 HydrophobicContact CB-CZ3 4.03Å; F45-W62 AromaticContact CD2-CD2 3.58Å; F45-W62 HydrophobicContact CD2-CD2 3.58Å; F45-W62 AromaticContact CD2-CE2 3.55Å; F45-W62 AromaticContact CD2-CE3 3.69Å; F45-W62 HydrophobicContact CD2-CE3 3.69Å; F45-W62 HydrophobicContact CD2-CG 4.2Å; F45-W62 AromaticContact CD2-CH2 3.89Å; F45-W62 HydrophobicContact CD2-CH2 3.89Å; F45-W62 AromaticContact CD2-CZ2 3.74Å; F45-W62 HydrophobicContact CD2-CZ2 3.74Å; F45-W62 AromaticContact CD2-CZ3 3.84Å; F45-W62 HydrophobicContact CD2-CZ3 3.84Å; F45-W62 HydrophobicContact CE2-CD2 4.16Å; F45-W62 AromaticContact CE2-CE2 3.66Å; F45-W62 HydrophobicContact CE2-CH2 4.22Å; F45-W62 AromaticContact CE2-CZ2 3.71Å; F45-W62 HydrophobicContact CE2-CZ2 3.71Å; F45-W62 AromaticContact CE2-NE1 3.88Å; F45-W62 HydrophobicContact CG-CE3 4.22Å; F45-W62 HydrophobicContact CG-CH2 4.34Å; F45-W62 HydrophobicContact CG-CZ3 4.12Å; W62-Y77 AromaticContact CD2-CD1 3.78Å; W62-Y77 HydrophobicContact CD2-CD1 3.78Å; W62-Y77 AromaticContact CD2-CE1 3.98Å; W62-Y77 HydrophobicContact CD2-CE1 3.98Å; W62-Y77 AromaticContact CE3-CD1 3.64Å; W62-Y77 HydrophobicContact CE3-CD1 3.64Å; W62-Y77 AromaticContact CE3-CE1 3.35Å; W62-Y77 HydrophobicContact CE3-CE1 3.35Å; W62-Y77 HydrophobicContact CG-CD1 4.23Å; W62-Y77 HydrophobicContact CH2-CE1 4.06Å; W62-Y77 HydrophobicContact CZ3-CD1 4.09Å; W62-Y77 AromaticContact CZ3-CE1 3.41Å; W62-Y77 HydrophobicContact CZ3-CE1 3.41Å; W62-Y77 VanDerWaalsContact CZ3-CE1 3.41Å |
| 63 | D | 92.3 | Very high | 81.6 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 121.1 | 173.6 | 175 | 45.2 | 0 | 0 | 0 | 110 | L13 K21 S22 L25 T40 V43 D44 | L13-D63 HydrophobicContact CD1-CB 4.37Å; K21-D63 WeakPolarHBondContact CB-OD1 3.16Å; S22-D63 WeakPolarHBondContact CA-OD2 3.38Å; S22-D63 VanDerWaalsContact CB-OD2 3.24Å; S22-D63 WeakPolarHBondContact CB-OD2 3.46Å; S22-D63 PolarHBondContact OG-OD2 3.04Å; L25-D63 HydrophobicContact CD2-CB 3.59Å; T40-D63 PolarHBondContact OG1-OD2 3.37Å; V43-D63 CarbonylContact C-O 3.58Å; V43-D63 WeakPolarHBondContact CA-O 3.44Å; V43-D63 WeakPolarHBondContact CG1-O 3.43Å; D44-D63 HydrophobicContact CB-CB 4.34Å; D44-D63 PolarHBondContact N-O 3.18Å; D44-D63 PolarHBondContact O-N 3.17Å |
| 64 | T | 87.8 | Confident | 80.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 150.1 | -178.2 | 72.4 | 0 | 0 | 0 | 0 | 112.3 | L12 L13 K21 V43 G66 T74 | L12-T64 HydrophobicContact CD1-CG2 3.45Å; L12-T64 VanDerWaalsContact CD1-CG2 3.45Å; L12-T64 HydrophobicContact CG-CG2 4.16Å; L13-T64 PolarHBondContact O-N 2.97Å; L13-T64 PolarHBondContact O-OG1 3.37Å; K21-T64 WeakPolarHBondContact CE-O 3.44Å; V43-T64 HydrophobicContact CG2-CG2 4.29Å; T64-G66 PolarHBondContact O-N 3.38Å; T64-T74 HydrophobicContact CG2-CG2 3.96Å |
| 65 | A | 81.6 | Confident | 79.8 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 3% | 0.025 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -57.7 | 136.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T40 G42 F70 | T40-A65 VanDerWaalsContact O-CB 3.24Å; T40-A65 WeakPolarHBondContact O-CB 3.49Å; G42-A65 WeakPolarHBondContact O-CB 3.36Å; G42-A65 PolarHBondContact O-N 3.32Å; A65-F70 HydrophobicContact CB-CB 4Å; A65-F70 HydrophobicContact CB-CD2 3.62Å; A65-F70 HydrophobicContact CB-CE2 4.41Å; A65-F70 HydrophobicContact CB-CG 4.04Å |
| 66 | G | 70.7 | Confident | 79.1 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 8% | 0.082 | 25% | 0.245 | C | C | . | . | trans | -92.1 | 0.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G15 S17 T64 | G15-G66 VanDerWaalsContact O-CA 3.22Å; G15-G66 WeakPolarHBondContact O-CA 3.29Å; S17-G66 PolarHBondContact N-O 3.39Å; T64-G66 PolarHBondContact O-N 3.38Å | ||
| 67 | Q | 67.4 | Low | 78.7 | Confident | 38 Ų | 38 | 50 Ų | 50 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -81.2 | 139.5 | 179.8 | -64.5 | -174.8 | 41.4 | 0 | 0 | 110.7 | R69 F70 | Q67-R69 PolarHBondContact O-N 2.6Å; Q67-R69 VanDerWaalsContact O-N 3.13Å; Q67-F70 HydrophobicContact CB-CD2 4.09Å; Q67-F70 PolarHBondContact O-N 3.4Å |
| 68 | E | 60.8 | Low | 78.4 | Confident | 130 Ų | 130 | 50 Ų | 50 | 61% | 0.607 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -55.8 | -33.8 | -180 | 65 | -69.8 | 148.6 | 0 | 0 | 113.2 | F70 R71 | E68-F70 PolarHBondContact O-N 2.89Å; E68-R71 WeakPolarHBondContact O-CB 3.33Å; E68-R71 PolarHBondContact O-N 3.09Å |
| 69 | R | 60.1 | Low | 78 | Confident | 182 Ų | 182 | 56.3 Ų | 56.3 | 69% | 0.687 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -58.2 | -18.9 | 178.8 | -65.8 | -173.1 | -67.7 | 168.1 | -0.7 | 114.2 | Q67 | Q67-R69 PolarHBondContact O-N 2.6Å; Q67-R69 VanDerWaalsContact O-N 3.13Å |
| 70 | F | 62.1 | Low | 77.6 | Confident | 48 Ų | 48 | 58 Ų | 58 | 21% | 0.211 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -106.2 | 1.6 | 179.9 | -62.3 | -65 | 0 | 0 | 0 | 114.3 | I41 A65 Q67 E68 T72 I73 | I41-F70 HydrophobicContact CG2-CZ 4.33Å; A65-F70 HydrophobicContact CB-CB 4Å; A65-F70 HydrophobicContact CB-CD2 3.62Å; A65-F70 HydrophobicContact CB-CE2 4.41Å; A65-F70 HydrophobicContact CB-CG 4.04Å; Q67-F70 HydrophobicContact CB-CD2 4.09Å; Q67-F70 PolarHBondContact O-N 3.4Å; E68-F70 PolarHBondContact O-N 2.89Å; F70-T72 PolarHBondContact O-N 3.35Å; F70-T72 VanDerWaalsContact O-N 3.14Å; F70-I73 HydrophobicContact CD1-CD1 3.9Å; F70-I73 WeakPolarHBondContact O-CB 3.49Å; F70-I73 PolarHBondContact O-N 3.02Å |
| 71 | R | 62.2 | Low | 77.5 | Confident | 72 Ų | 72 | 56.6 Ų | 56.6 | 27% | 0.272 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.8 | -28.9 | -177.6 | -75.4 | 176.7 | -176.7 | -112.6 | 0.7 | 114.1 | E68 I73 T74 E105 | E68-R71 WeakPolarHBondContact O-CB 3.33Å; E68-R71 PolarHBondContact O-N 3.09Å; R71-I73 VanDerWaalsContact C-N 3.32Å; R71-I73 PolarHBondContact O-N 3.24Å; R71-T74 PolarHBondContact O-N 3.45Å; R71-T74 PolarHBondContact O-OG1 3.2Å; R71-E105 VanDerWaalsContact CD-OE1 3.24Å; R71-E105 WeakPolarHBondContact CD-OE1 3.26Å; R71-E105 WeakPolarHBondContact CG-OE1 3.28Å; R71-E105 IonicContact CZ-OE1 2.8Å; R71-E105 IonicContact NE-OE1 3.46Å; R71-E105 IonicContact NH1-OE1 2.74Å; R71-E105 PolarHBondContact NH1-OE1 3Å |
| 72 | T | 61.4 | Low | 77.5 | Confident | 126 Ų | 126 | 59.9 Ų | 59.9 | 77% | 0.773 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -66.9 | -34.8 | 176.3 | -48.3 | 0 | 0 | 0 | 0 | 112.2 | F70 T74 S75 | F70-T72 PolarHBondContact O-N 3.35Å; F70-T72 VanDerWaalsContact O-N 3.14Å; T72-T74 VanDerWaalsContact C-N 3.31Å; T72-T74 PolarHBondContact O-N 2.89Å; T72-S75 PolarHBondContact O-OG 2.94Å; T72-S75 VanDerWaalsContact O-OG 3.06Å |
| 73 | I | 64.5 | Low | 77.7 | Confident | 84 Ų | 84 | 56.8 Ų | 56.8 | 43% | 0.431 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -71.2 | -29.8 | -177.8 | -57.2 | -178.6 | 0 | 0 | 0 | 110.8 | F70 R71 S75 S76 Y77 | F70-I73 HydrophobicContact CD1-CD1 3.9Å; F70-I73 WeakPolarHBondContact O-CB 3.49Å; F70-I73 PolarHBondContact O-N 3.02Å; R71-I73 VanDerWaalsContact C-N 3.32Å; R71-I73 PolarHBondContact O-N 3.24Å; I73-S75 PolarHBondContact O-N 2.74Å; I73-S76 PolarHBondContact O-OG 3.38Å; I73-Y77 HydrophobicContact CG2-CE2 4.32Å; I73-Y77 WeakPolarHBondContact O-CD2 3.43Å; I73-Y77 WeakPolarHBondContact O-CE2 3.16Å |
| 74 | T | 68.4 | Low | 77.9 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -75.6 | -24.7 | -172.6 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | T64 R71 T72 S76 Y77 Y78 | T64-T74 HydrophobicContact CG2-CG2 3.96Å; R71-T74 PolarHBondContact O-N 3.45Å; R71-T74 PolarHBondContact O-OG1 3.2Å; T72-T74 VanDerWaalsContact C-N 3.31Å; T72-T74 PolarHBondContact O-N 2.89Å; T74-S76 VanDerWaalsContact C-N 3.28Å; T74-S76 PolarHBondContact O-N 3.2Å; T74-S76 VanDerWaalsContact O-N 3.13Å; T74-Y77 WeakPolarHBondContact O-CB 3.4Å; T74-Y77 PolarHBondContact O-N 3.29Å; T74-Y78 VanDerWaalsContact O-CD2 3.23Å; T74-Y78 WeakPolarHBondContact O-CD2 3.31Å; T74-Y78 PolarHBondContact O-N 3.08Å |
| 75 | S | 74.8 | Confident | 78.4 | Confident | 41 Ų | 41 | 56.9 Ų | 56.9 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -52.2 | -38.6 | -175.3 | 61.7 | 0 | 0 | 0 | 0 | 114.5 | T72 I73 Y77 Y78 | T72-S75 PolarHBondContact O-OG 2.94Å; T72-S75 VanDerWaalsContact O-OG 3.06Å; I73-S75 PolarHBondContact O-N 2.74Å; S75-Y77 VanDerWaalsContact C-N 3.32Å; S75-Y77 PolarHBondContact O-N 3.1Å; S75-Y78 PolarHBondContact O-N 3.35Å |
| 76 | S | 79.2 | Confident | 79.2 | Confident | 81 Ų | 81 | 56.7 Ų | 56.7 | 57% | 0.566 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -68.5 | -29 | 179.1 | 60.6 | 0 | 0 | 0 | 0 | 113.4 | I73 T74 | I73-S76 PolarHBondContact O-OG 3.38Å; T74-S76 VanDerWaalsContact C-N 3.28Å; T74-S76 PolarHBondContact O-N 3.2Å; T74-S76 VanDerWaalsContact O-N 3.13Å |
| 77 | Y | 85.1 | Confident | 80.5 | Confident | 69 Ų | 69 | 56.4 Ų | 56.4 | 27% | 0.271 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -76.1 | -27.6 | -180 | -63.1 | -84.9 | 0 | 0 | 0 | 112.4 | V43 W62 I73 T74 S75 | V43-Y77 HydrophobicContact CB-CE1 4.44Å; V43-Y77 HydrophobicContact CB-CE2 4.29Å; V43-Y77 HydrophobicContact CG1-CD1 4.35Å; V43-Y77 HydrophobicContact CG1-CE1 4Å; V43-Y77 HydrophobicContact CG2-CD2 4Å; V43-Y77 HydrophobicContact CG2-CE1 4.43Å; V43-Y77 HydrophobicContact CG2-CE2 3.54Å; W62-Y77 AromaticContact CD2-CD1 3.78Å; W62-Y77 HydrophobicContact CD2-CD1 3.78Å; W62-Y77 AromaticContact CD2-CE1 3.98Å; W62-Y77 HydrophobicContact CD2-CE1 3.98Å; W62-Y77 AromaticContact CE3-CD1 3.64Å; W62-Y77 HydrophobicContact CE3-CD1 3.64Å; W62-Y77 AromaticContact CE3-CE1 3.35Å; W62-Y77 HydrophobicContact CE3-CE1 3.35Å; W62-Y77 HydrophobicContact CG-CD1 4.23Å; W62-Y77 HydrophobicContact CH2-CE1 4.06Å; W62-Y77 HydrophobicContact CZ3-CD1 4.09Å; W62-Y77 AromaticContact CZ3-CE1 3.41Å; W62-Y77 HydrophobicContact CZ3-CE1 3.41Å; W62-Y77 VanDerWaalsContact CZ3-CE1 3.41Å; I73-Y77 HydrophobicContact CG2-CE2 4.32Å; I73-Y77 WeakPolarHBondContact O-CD2 3.43Å; I73-Y77 WeakPolarHBondContact O-CE2 3.16Å; T74-Y77 WeakPolarHBondContact O-CB 3.4Å; T74-Y77 PolarHBondContact O-N 3.29Å; S75-Y77 VanDerWaalsContact C-N 3.32Å; S75-Y77 PolarHBondContact O-N 3.1Å |
| 78 | Y | 90.4 | Very high | 82 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 175.1 | -76.6 | -90.7 | 0 | 0 | 0 | 112.6 | L12 I14 T74 S75 G80 A81 I84 E105 I106 Y109 A110 | L12-Y78 HydrophobicContact CD2-CD1 3.99Å; L12-Y78 HydrophobicContact CD2-CD2 4.13Å; L12-Y78 HydrophobicContact CD2-CE1 4.13Å; L12-Y78 HydrophobicContact CD2-CE2 4.31Å; L12-Y78 HydrophobicContact CD2-CG 3.98Å; I14-Y78 HydrophobicContact CD1-CE1 4Å; I14-Y78 WeakPolarHBondContact CD1-OH 3.48Å; I14-Y78 HydrophobicContact CG2-CE1 4.4Å; T74-Y78 VanDerWaalsContact O-CD2 3.23Å; T74-Y78 WeakPolarHBondContact O-CD2 3.31Å; T74-Y78 PolarHBondContact O-N 3.08Å; S75-Y78 PolarHBondContact O-N 3.35Å; Y78-G80 PolarHBondContact O-N 3.15Å; Y78-G80 VanDerWaalsContact O-N 3.13Å; Y78-A81 WeakPolarHBondContact O-CB 3.13Å; Y78-A81 PolarHBondContact O-N 3.43Å; Y78-A81 VanDerWaalsContact O-N 3.08Å; Y78-I84 HydrophobicContact CD1-CD1 3.64Å; Y78-I84 HydrophobicContact CE1-CD1 4.08Å; Y78-E105 HydrophobicContact CE1-CB 4.42Å; Y78-E105 PolarHBondContact OH-OE2 3.06Å; Y78-I106 HydrophobicContact CD1-CG1 4.24Å; Y78-I106 HydrophobicContact CE1-CB 4.46Å; Y78-I106 HydrophobicContact CE1-CG1 3.69Å; Y78-Y109 HydrophobicContact CD2-CD2 4.48Å; Y78-A110 HydrophobicContact CD1-CB 4.3Å |
| 79 | R | 87 | Confident | 83.8 | Confident | 194 Ų | 194 | 49 Ų | 49 | 73% | 0.732 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -58.4 | -32.4 | -172.2 | -173.1 | -179.7 | 179.1 | 97.7 | 0.3 | 113.6 | N111 | R79-N111 PolarHBondContact O-ND2 2.71Å |
| 80 | G | 88.4 | Confident | 85.6 | Confident | 37 Ų | 37 | 40.3 Ų | 40.3 | 38% | 0.381 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -4.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K10 Y78 | K10-G80 WeakPolarHBondContact CD-O 3.34Å; Y78-G80 PolarHBondContact O-N 3.15Å; Y78-G80 VanDerWaalsContact O-N 3.13Å |
| 81 | A | 94 | Very high | 87.3 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | trans | -71.8 | 133.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L12 Y78 I84 | L12-A81 HydrophobicContact CB-CB 4.18Å; Y78-A81 WeakPolarHBondContact O-CB 3.13Å; Y78-A81 PolarHBondContact O-N 3.43Å; Y78-A81 VanDerWaalsContact O-N 3.08Å; A81-I84 HydrophobicContact CB-CD1 4.21Å; A81-I84 HydrophobicContact CB-CG1 3.83Å | ||
| 82 | Q | 95.6 | Very high | 89 | Confident | 70 Ų | 70 | 39.5 Ų | 39.5 | 33% | 0.327 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -94.7 | -29.6 | 171.1 | -69.3 | 154.6 | -76.7 | 0 | 0 | 110.7 | L8 L9 K10 S115 I169 | L8-Q82 PolarHBondContact O-OE1 3.39Å; L9-Q82 VanDerWaalsContact CA-OE1 3.31Å; K10-Q82 PolarHBondContact O-N 3.04Å; Q82-S115 PolarHBondContact O-N 3.05Å; Q82-I169 HydrophobicContact CB-CD1 4.12Å; Q82-I169 HydrophobicContact CB-CG1 4.45Å; Q82-I169 HydrophobicContact CB-CG2 3.92Å |
| 83 | G | 97.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 141.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | K10 L11 L12 S115 M165 | K10-G83 PolarHBondContact O-N 3.1Å; L11-G83 VanDerWaalsContact CA-O 3.31Å; L11-G83 WeakPolarHBondContact CA-O 3.45Å; L12-G83 PolarHBondContact N-O 3.33Å; G83-S115 CarbonylContact C-O 3.58Å; G83-S115 VanDerWaalsContact CA-O 3.3Å; G83-S115 WeakPolarHBondContact CA-O 3.48Å; G83-M165 VanDerWaalsContact CA-SD 3.55Å |
| 84 | I | 97.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 124.6 | 175.4 | -60.6 | 175.9 | 0 | 0 | 0 | 108.8 | L12 I14 Y78 A81 I86 I106 A110 V114 S115 R116 L117 M165 | L12-I84 HydrophobicContact CB-CG1 4.22Å; L12-I84 WeakPolarHBondContact O-CA 3.3Å; I14-I84 HydrophobicContact CD1-CG2 3.67Å; I14-I84 HydrophobicContact CG1-CG2 3.84Å; I14-I84 HydrophobicContact CG2-CG2 4.42Å; Y78-I84 HydrophobicContact CD1-CD1 3.64Å; Y78-I84 HydrophobicContact CE1-CD1 4.08Å; A81-I84 HydrophobicContact CB-CD1 4.21Å; A81-I84 HydrophobicContact CB-CG1 3.83Å; I84-I86 HydrophobicContact CG2-CG1 4.43Å; I84-I106 HydrophobicContact CB-CD1 4.3Å; I84-I106 HydrophobicContact CD1-CD1 4.38Å; I84-I106 HydrophobicContact CD1-CG1 3.89Å; I84-I106 HydrophobicContact CD1-CG2 4.07Å; I84-I106 HydrophobicContact CG2-CD1 3.75Å; I84-I106 HydrophobicContact CG2-CG1 4.13Å; I84-A110 HydrophobicContact CD1-CB 3.83Å; I84-V114 HydrophobicContact CB-CG2 4.47Å; I84-V114 HydrophobicContact CD1-CG1 4.34Å; I84-V114 HydrophobicContact CD1-CG2 3.78Å; I84-V114 HydrophobicContact CG1-CG2 3.68Å; I84-S115 PolarHBondContact N-O 3.38Å; I84-R116 WeakPolarHBondContact O-CA 3.21Å; I84-L117 PolarHBondContact O-N 3.01Å; I84-M165 WeakPolarHBondContact O-CE 3.48Å |
| 85 | I | 98.2 | Very high | 93.8 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 115 | 177.5 | -56.8 | 179.8 | 0 | 0 | 0 | 107.5 | L12 L13 I14 V87 L117 V119 F162 M165 | L12-I85 PolarHBondContact O-N 3.27Å; L13-I85 HydrophobicContact CD2-CB 3.66Å; L13-I85 HydrophobicContact CD2-CD1 3.79Å; L13-I85 HydrophobicContact CD2-CG1 4.13Å; L13-I85 HydrophobicContact CD2-CG2 4.1Å; I14-I85 PolarHBondContact N-O 2.63Å; I85-V87 HydrophobicContact CG2-CG2 4.03Å; I85-L117 CarbonylContact C-O 3.35Å; I85-L117 WeakPolarHBondContact CA-O 3.4Å; I85-L117 HydrophobicContact CD1-CD2 4.34Å; I85-L117 HydrophobicContact CG1-CB 4.38Å; I85-L117 HydrophobicContact CG1-CD2 4.24Å; I85-L117 HydrophobicContact CG2-CD2 4.36Å; I85-V119 HydrophobicContact CG2-CB 4.18Å; I85-V119 HydrophobicContact CG2-CG2 3.4Å; I85-V119 VanDerWaalsContact CG2-CG2 3.4Å; I85-F162 HydrophobicContact CD1-CD1 3.92Å; I85-F162 HydrophobicContact CD1-CE1 3.91Å; I85-M165 HydrophobicContact CD1-CB 4.27Å; I85-M165 HydrophobicContact CD1-CG 4.39Å; I85-M165 HydrophobicContact CG1-CB 4.49Å; I85-M165 HydrophobicContact CG1-CE 3.62Å; I85-M165 HydrophobicContact CG1-CG 4.28Å |
| 86 | I | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 118.5 | 176.5 | -47.1 | 170.7 | 0 | 0 | 0 | 107.6 | I14 I84 V99 W102 L103 I106 L117 L118 V119 M145 | I14-I86 HydrophobicContact CD1-CG1 4.03Å; I14-I86 HydrophobicContact CG1-CB 4.3Å; I14-I86 HydrophobicContact CG1-CG1 3.96Å; I14-I86 HydrophobicContact CG1-CG2 4.3Å; I84-I86 HydrophobicContact CG2-CG1 4.43Å; I86-V99 HydrophobicContact CD1-CG1 4.47Å; I86-V99 HydrophobicContact CG2-CG1 4.08Å; I86-V99 HydrophobicContact CG2-CG2 4.23Å; I86-W102 HydrophobicContact CG2-CB 4.1Å; I86-W102 HydrophobicContact CG2-CG 4.46Å; I86-L103 HydrophobicContact CD1-CD2 3.79Å; I86-L103 HydrophobicContact CD1-CG 4.11Å; I86-I106 HydrophobicContact CD1-CD1 3.6Å; I86-I106 HydrophobicContact CG1-CD1 3.93Å; I86-L117 PolarHBondContact N-O 3.12Å; I86-L118 HydrophobicContact CB-CD1 4.24Å; I86-L118 HydrophobicContact CG2-CD1 4.37Å; I86-V119 PolarHBondContact O-N 2.61Å; I86-M145 HydrophobicContact CD1-CE 4.47Å; I86-M145 HydrophobicContact CD1-SD 3.66Å |
| 87 | V | 98.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 132 | -176.7 | -169.4 | 0 | 0 | 0 | 0 | 109.8 | I14 G15 V19 K21 L24 I85 V119 N121 | I14-V87 PolarHBondContact O-N 2.92Å; G15-V87 WeakPolarHBondContact CA-O 3.44Å; V19-V87 HydrophobicContact CB-CG1 4.27Å; V19-V87 HydrophobicContact CG2-CB 3.88Å; V19-V87 HydrophobicContact CG2-CG1 3.82Å; K21-V87 HydrophobicContact CG-CB 3.96Å; K21-V87 HydrophobicContact CG-CG2 3.99Å; L24-V87 HydrophobicContact CD1-CG1 3.84Å; L24-V87 HydrophobicContact CD1-CG2 4.07Å; I85-V87 HydrophobicContact CG2-CG2 4.03Å; V87-V119 WeakPolarHBondContact CA-O 3.49Å; V87-V119 HydrophobicContact CG1-CG1 4.4Å; V87-V119 HydrophobicContact CG2-CB 4.34Å; V87-N121 HydrophobicContact CG1-CB 3.76Å |
| 88 | Y | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 165 | 167.2 | 77.5 | -82.4 | 0 | 0 | 0 | 110.1 | I90 F96 L118 V119 G120 N121 V131 A136 F147 | Y88-I90 HydrophobicContact CE2-CB 4.49Å; Y88-I90 HydrophobicContact CE2-CG2 3.99Å; Y88-F96 HydrophobicContact CD1-CD2 4.06Å; Y88-F96 HydrophobicContact CD2-CB 3.73Å; Y88-F96 AromaticContact CD2-CD2 3.91Å; Y88-F96 HydrophobicContact CD2-CD2 3.91Å; Y88-F96 HydrophobicContact CD2-CG 4.27Å; Y88-F96 AromaticContact CE1-CD2 3.98Å; Y88-F96 HydrophobicContact CE1-CD2 3.98Å; Y88-F96 HydrophobicContact CE1-CE2 4.42Å; Y88-F96 HydrophobicContact CE2-CB 4.19Å; Y88-F96 AromaticContact CE2-CD2 3.85Å; Y88-F96 HydrophobicContact CE2-CD2 3.85Å; Y88-F96 HydrophobicContact CE2-CG 4.35Å; Y88-F96 HydrophobicContact CG-CB 4.21Å; Y88-F96 HydrophobicContact CG-CD2 4.02Å; Y88-F96 AromaticContact CZ-CD2 3.89Å; Y88-L118 HydrophobicContact CD1-CD1 3.78Å; Y88-L118 HydrophobicContact CD1-CG 4.19Å; Y88-L118 HydrophobicContact CE1-CD1 4.13Å; Y88-L118 HydrophobicContact CE1-CD2 4.24Å; Y88-L118 HydrophobicContact CE1-CG 4.02Å; Y88-V119 VanDerWaalsContact CD1-O 3.29Å; Y88-V119 WeakPolarHBondContact CD1-O 3.43Å; Y88-V119 PolarHBondContact N-O 2.94Å; Y88-G120 VanDerWaalsContact CZ-CA 3.44Å; Y88-N121 PolarHBondContact O-N 3.33Å; Y88-V131 HydrophobicContact CD2-CG2 4.36Å; Y88-V131 HydrophobicContact CE2-CB 3.89Å; Y88-V131 HydrophobicContact CE2-CG1 3.83Å; Y88-V131 HydrophobicContact CE2-CG2 3.98Å; Y88-A136 HydrophobicContact CE1-CB 4.34Å; Y88-A136 WeakPolarHBondContact OH-CB 3.44Å; Y88-F147 HydrophobicContact CE1-CE2 4.21Å |
| 89 | D | 98.5 | Very high | 96.6 | Very high | 11 Ų | 11 | 34.3 Ų | 34.3 | 6% | 0.059 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 121.8 | 176.1 | -178.1 | -17.3 | 0 | 0 | 0 | 109.4 | V19 T91 D92 T95 K122 | V19-D89 HydrophobicContact CB-CB 4.45Å; V19-D89 HydrophobicContact CG1-CB 4.35Å; D89-T91 VanDerWaalsContact CG-OG1 3.23Å; D89-T91 PolarHBondContact O-N 3.31Å; D89-T91 VanDerWaalsContact O-N 3.07Å; D89-T91 WeakPolarHBondContact OD1-CB 3.44Å; D89-T91 PolarHBondContact OD1-N 3.34Å; D89-T91 PolarHBondContact OD1-OG1 2.98Å; D89-T91 PolarHBondContact OD2-OG1 2.87Å; D89-D92 HydrophobicContact CB-CB 4.17Å; D89-D92 PolarHBondContact O-N 3Å; D89-T95 HydrophobicContact CB-CG2 4.48Å; D89-T95 PolarHBondContact N-OG1 3.12Å; D89-T95 PolarHBondContact O-OG1 3.34Å; D89-K122 VanDerWaalsContact OD2-CD 3.28Å; D89-K122 WeakPolarHBondContact OD2-CD 3.5Å; D89-K122 WeakPolarHBondContact OD2-CE 3.42Å; D89-K122 IonicContact OD2-NZ 3.48Å; D89-K122 PolarHBondContact OD2-NZ 3.46Å |
| 90 | I | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -17.5 | -179.2 | 66.7 | 147.3 | 0 | 0 | 0 | 113.6 | Y88 N121 K122 C123 R129 A130 V131 | Y88-I90 HydrophobicContact CE2-CB 4.49Å; Y88-I90 HydrophobicContact CE2-CG2 3.99Å; I90-N121 WeakPolarHBondContact CG1-O 3.31Å; I90-N121 WeakPolarHBondContact CG2-O 3.21Å; I90-N121 PolarHBondContact N-O 3.29Å; I90-K122 WeakPolarHBondContact CD1-O 3.27Å; I90-K122 WeakPolarHBondContact CG1-O 3.23Å; I90-C123 HydrophobicContact CD1-CB 4.44Å; I90-R129 HydrophobicContact CD1-CB 4.39Å; I90-R129 HydrophobicContact CD1-CG 4.47Å; I90-A130 PolarHBondContact O-N 3.23Å; I90-V131 PolarHBondContact O-N 3.36Å |
| 91 | T | 98.5 | Very high | 97.3 | Very high | 40 Ų | 40 | 31 Ų | 31 | 25% | 0.245 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -5.3 | 178.9 | 72.1 | 0 | 0 | 0 | 0 | 113.2 | D89 L125 R128 A130 | D89-T91 VanDerWaalsContact CG-OG1 3.23Å; D89-T91 PolarHBondContact O-N 3.31Å; D89-T91 VanDerWaalsContact O-N 3.07Å; D89-T91 WeakPolarHBondContact OD1-CB 3.44Å; D89-T91 PolarHBondContact OD1-N 3.34Å; D89-T91 PolarHBondContact OD1-OG1 2.98Å; D89-T91 PolarHBondContact OD2-OG1 2.87Å; T91-L125 HydrophobicContact CG2-CB 3.61Å; T91-L125 HydrophobicContact CG2-CD1 4.04Å; T91-L125 HydrophobicContact CG2-CG 4.48Å; T91-R128 WeakPolarHBondContact CA-O 3.46Å; T91-R128 WeakPolarHBondContact CB-O 3.46Å; T91-R128 HydrophobicContact CG2-CB 3.9Å; T91-A130 WeakPolarHBondContact O-CB 3.14Å |
| 92 | D | 98 | Very high | 97.3 | Very high | 64 Ų | 64 | 30.9 Ų | 30.9 | 34% | 0.342 | 18% | 0.175 | S | C | . | . | trans | -130.5 | 101.4 | -177.6 | -170.9 | -18.8 | 0 | 0 | 0 | 111.6 | D89 S94 T95 | D89-D92 HydrophobicContact CB-CB 4.17Å; D89-D92 PolarHBondContact O-N 3Å; D92-S94 VanDerWaalsContact CG-OG 3.31Å; D92-S94 PolarHBondContact O-N 3Å; D92-S94 VanDerWaalsContact OD1-CB 3.3Å; D92-S94 WeakPolarHBondContact OD1-CB 3.3Å; D92-S94 PolarHBondContact OD1-N 2.84Å; D92-S94 PolarHBondContact OD1-OG 3.28Å; D92-S94 PolarHBondContact OD2-OG 2.68Å; D92-T95 HydrophobicContact CB-CG2 3.87Å; D92-T95 PolarHBondContact O-N 2.89Å; D92-T95 PolarHBondContact O-OG1 3.22Å | ||
| 93 | Q | 98 | Very high | 97.2 | Very high | 90 Ų | 90 | 28.2 Ų | 28.2 | 42% | 0.421 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -57.6 | -29.5 | 178.5 | -175.2 | 63.1 | 50 | 0 | 0 | 113.2 | F96 A97 A130 | Q93-F96 PolarHBondContact O-N 3.02Å; Q93-A97 PolarHBondContact O-N 3.34Å; Q93-A130 HydrophobicContact CB-CB 4.29Å; Q93-A130 PolarHBondContact OE1-O 3.05Å; Q93-A130 VanDerWaalsContact OE1-O 3.12Å |
| 94 | S | 97.8 | Very high | 97 | Very high | 61 Ų | 61 | 33.9 Ų | 33.9 | 43% | 0.427 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.8 | -39 | -179.6 | 74.4 | 0 | 0 | 0 | 0 | 111.5 | D92 F96 A97 N98 | D92-S94 VanDerWaalsContact CG-OG 3.31Å; D92-S94 PolarHBondContact O-N 3Å; D92-S94 VanDerWaalsContact OD1-CB 3.3Å; D92-S94 WeakPolarHBondContact OD1-CB 3.3Å; D92-S94 PolarHBondContact OD1-N 2.84Å; D92-S94 PolarHBondContact OD1-OG 3.28Å; D92-S94 PolarHBondContact OD2-OG 2.68Å; S94-F96 VanDerWaalsContact C-N 3.28Å; S94-F96 PolarHBondContact O-N 2.74Å; S94-A97 PolarHBondContact O-N 3.14Å; S94-N98 PolarHBondContact O-N 3.48Å; S94-N98 PolarHBondContact O-ND2 3.46Å |
| 95 | T | 97.9 | Very high | 96.7 | Very high | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.043 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.6 | -33.9 | 178 | 71 | 0 | 0 | 0 | 0 | 111.9 | D16 V19 D89 D92 | D16-T95 HydrophobicContact CB-CG2 4.11Å; V19-T95 HydrophobicContact CG1-CG2 3.76Å; D89-T95 HydrophobicContact CB-CG2 4.48Å; D89-T95 PolarHBondContact N-OG1 3.12Å; D89-T95 PolarHBondContact O-OG1 3.34Å; D92-T95 HydrophobicContact CB-CG2 3.87Å; D92-T95 PolarHBondContact O-N 2.89Å; D92-T95 PolarHBondContact O-OG1 3.22Å |
| 96 | F | 98.6 | Very high | 96.5 | Very high | 15 Ų | 15 | 35 Ų | 35 | 7% | 0.066 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.1 | -42.6 | 172.9 | -179.5 | -104.1 | 0 | 0 | 0 | 112.1 | Y88 Q93 S94 N98 V99 L118 V131 V135 A136 F139 | Y88-F96 HydrophobicContact CD1-CD2 4.06Å; Y88-F96 HydrophobicContact CD2-CB 3.73Å; Y88-F96 AromaticContact CD2-CD2 3.91Å; Y88-F96 HydrophobicContact CD2-CD2 3.91Å; Y88-F96 HydrophobicContact CD2-CG 4.27Å; Y88-F96 AromaticContact CE1-CD2 3.98Å; Y88-F96 HydrophobicContact CE1-CD2 3.98Å; Y88-F96 HydrophobicContact CE1-CE2 4.42Å; Y88-F96 HydrophobicContact CE2-CB 4.19Å; Y88-F96 AromaticContact CE2-CD2 3.85Å; Y88-F96 HydrophobicContact CE2-CD2 3.85Å; Y88-F96 HydrophobicContact CE2-CG 4.35Å; Y88-F96 HydrophobicContact CG-CB 4.21Å; Y88-F96 HydrophobicContact CG-CD2 4.02Å; Y88-F96 AromaticContact CZ-CD2 3.89Å; Q93-F96 PolarHBondContact O-N 3.02Å; S94-F96 VanDerWaalsContact C-N 3.28Å; S94-F96 PolarHBondContact O-N 2.74Å; F96-N98 PolarHBondContact O-N 3.48Å; F96-V99 HydrophobicContact CD2-CG2 4.44Å; F96-V99 VanDerWaalsContact O-CB 3.23Å; F96-V99 WeakPolarHBondContact O-CB 3.22Å; F96-V99 VanDerWaalsContact O-CG2 3.27Å; F96-V99 WeakPolarHBondContact O-CG2 3.23Å; F96-V99 PolarHBondContact O-N 3.37Å; F96-V99 VanDerWaalsContact O-N 3.08Å; F96-L118 HydrophobicContact CE2-CD2 4.23Å; F96-V131 HydrophobicContact CB-CG1 4.27Å; F96-V131 HydrophobicContact CB-CG2 3.72Å; F96-V131 HydrophobicContact CD1-CG1 4.01Å; F96-V131 HydrophobicContact CD2-CG1 3.97Å; F96-V131 HydrophobicContact CE1-CG1 4.34Å; F96-V131 HydrophobicContact CE2-CG1 4.31Å; F96-V131 HydrophobicContact CG-CG1 3.81Å; F96-V131 HydrophobicContact CG-CG2 4.17Å; F96-V131 HydrophobicContact CZ-CG1 4.48Å; F96-V135 HydrophobicContact CE1-CG1 4.08Å; F96-V135 HydrophobicContact CZ-CG1 4.33Å; F96-A136 HydrophobicContact CD2-CB 4.45Å; F96-A136 HydrophobicContact CE2-CB 3.73Å; F96-A136 HydrophobicContact CZ-CB 4.21Å; F96-F139 HydrophobicContact CE2-CB 4.43Å; F96-F139 HydrophobicContact CE2-CD1 4.39Å; F96-F139 HydrophobicContact CE2-CG 4.41Å; F96-F139 HydrophobicContact CZ-CB 3.78Å; F96-F139 HydrophobicContact CZ-CD1 4.32Å; F96-F139 HydrophobicContact CZ-CD2 4.37Å; F96-F139 AromaticContact CZ-CG 3.9Å; F96-F139 HydrophobicContact CZ-CG 3.9Å |
| 97 | A | 97.7 | Very high | 96.3 | Very high | 60 Ų | 60 | 39.1 Ų | 39.1 | 50% | 0.496 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.9 | -36.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q93 S94 V99 | Q93-A97 PolarHBondContact O-N 3.34Å; S94-A97 PolarHBondContact O-N 3.14Å; A97-V99 VanDerWaalsContact C-N 3.25Å; A97-V99 PolarHBondContact O-N 3.16Å |
| 98 | N | 96.3 | Very high | 95.9 | Very high | 61 Ų | 61 | 42.2 Ų | 42.2 | 33% | 0.326 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -12 | 178.5 | -72.4 | -24.7 | 0 | 0 | 0 | 114.4 | D16 S94 F96 Q100 S101 W102 | D16-N98 WeakPolarHBondContact OD2-CB 3.24Å; D16-N98 PolarHBondContact OD2-ND2 2.89Å; S94-N98 PolarHBondContact O-N 3.48Å; S94-N98 PolarHBondContact O-ND2 3.46Å; F96-N98 PolarHBondContact O-N 3.48Å; N98-Q100 PolarHBondContact O-N 3.1Å; N98-S101 WeakPolarHBondContact O-CB 3.5Å; N98-S101 PolarHBondContact O-N 3.33Å; N98-W102 PolarHBondContact O-N 3.32Å |
| 99 | V | 97 | Very high | 95.6 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55.4 | -34.2 | 174.5 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | I86 F96 A97 S101 W102 L103 L118 F139 | I86-V99 HydrophobicContact CD1-CG1 4.47Å; I86-V99 HydrophobicContact CG2-CG1 4.08Å; I86-V99 HydrophobicContact CG2-CG2 4.23Å; F96-V99 HydrophobicContact CD2-CG2 4.44Å; F96-V99 VanDerWaalsContact O-CB 3.23Å; F96-V99 WeakPolarHBondContact O-CB 3.22Å; F96-V99 VanDerWaalsContact O-CG2 3.27Å; F96-V99 WeakPolarHBondContact O-CG2 3.23Å; F96-V99 PolarHBondContact O-N 3.37Å; F96-V99 VanDerWaalsContact O-N 3.08Å; A97-V99 VanDerWaalsContact C-N 3.25Å; A97-V99 PolarHBondContact O-N 3.16Å; V99-S101 VanDerWaalsContact C-N 3.3Å; V99-S101 PolarHBondContact O-N 3.03Å; V99-W102 PolarHBondContact O-N 3.06Å; V99-L103 HydrophobicContact CG1-CD1 4.42Å; V99-L103 HydrophobicContact CG1-CG 4.5Å; V99-L103 PolarHBondContact O-N 2.82Å; V99-L118 HydrophobicContact CG1-CD1 3.88Å; V99-L118 HydrophobicContact CG2-CD1 4.02Å; V99-F139 HydrophobicContact CB-CE1 4.28Å; V99-F139 HydrophobicContact CB-CZ 4.44Å; V99-F139 HydrophobicContact CG1-CD1 4.44Å; V99-F139 HydrophobicContact CG1-CE1 3.49Å; V99-F139 VanDerWaalsContact CG1-CE1 3.49Å; V99-F139 HydrophobicContact CG1-CZ 3.98Å |
| 100 | Q | 95.6 | Very high | 95.3 | Very high | 104 Ų | 104 | 48.2 Ų | 48.2 | 49% | 0.486 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 175.8 | -171.3 | 64.2 | 36 | 0 | 0 | 112.4 | N98 L103 H104 | N98-Q100 PolarHBondContact O-N 3.1Å; Q100-L103 WeakPolarHBondContact O-CB 3.19Å; Q100-L103 PolarHBondContact O-N 3.07Å; Q100-H104 PolarHBondContact O-N 3.29Å |
| 101 | S | 93.4 | Very high | 95 | Very high | 57 Ų | 57 | 52.2 Ų | 52.2 | 40% | 0.399 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.9 | -37.4 | 176.6 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | N98 V99 H104 E105 | N98-S101 WeakPolarHBondContact O-CB 3.5Å; N98-S101 PolarHBondContact O-N 3.33Å; V99-S101 VanDerWaalsContact C-N 3.3Å; V99-S101 PolarHBondContact O-N 3.03Å; S101-H104 WeakPolarHBondContact O-CB 3.44Å; S101-H104 PolarHBondContact O-N 2.97Å; S101-E105 PolarHBondContact O-N 2.95Å; S101-E105 VanDerWaalsContact O-N 3.1Å |
| 102 | W | 94.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 1% | 0.011 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 173.7 | -67.9 | 111.6 | 0 | 0 | 0 | 112.4 | I14 G15 D16 I86 N98 V99 H104 E105 I106 | I14-W102 HydrophobicContact CB-CE3 4.02Å; I14-W102 HydrophobicContact CB-CZ3 4.24Å; I14-W102 HydrophobicContact CD1-CB 3.97Å; I14-W102 HydrophobicContact CD1-CD2 4.4Å; I14-W102 HydrophobicContact CD1-CE3 3.94Å; I14-W102 HydrophobicContact CD1-CG 4.47Å; I14-W102 HydrophobicContact CG1-CE3 4.29Å; G15-W102 VanDerWaalsContact O-CZ2 3.3Å; G15-W102 WeakPolarHBondContact O-CZ2 3.26Å; D16-W102 PolarHBondContact OD1-NE1 2.98Å; I86-W102 HydrophobicContact CG2-CB 4.1Å; I86-W102 HydrophobicContact CG2-CG 4.46Å; N98-W102 PolarHBondContact O-N 3.32Å; V99-W102 PolarHBondContact O-N 3.06Å; W102-H104 VanDerWaalsContact C-N 3.3Å; W102-H104 PolarHBondContact O-N 3.49Å; W102-E105 WeakPolarHBondContact CZ3-OE2 3.13Å; W102-E105 PolarHBondContact O-N 3.22Å; W102-I106 WeakPolarHBondContact O-CG1 3.45Å; W102-I106 PolarHBondContact O-N 2.84Å |
| 103 | L | 94.5 | Very high | 94.2 | Very high | 14 Ų | 14 | 58.6 Ų | 58.6 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 171.9 | -78.5 | 173.1 | 0 | 0 | 0 | 112.3 | I86 V99 Q100 I106 S107 F139 N143 M145 | I86-L103 HydrophobicContact CD1-CD2 3.79Å; I86-L103 HydrophobicContact CD1-CG 4.11Å; V99-L103 HydrophobicContact CG1-CD1 4.42Å; V99-L103 HydrophobicContact CG1-CG 4.5Å; V99-L103 PolarHBondContact O-N 2.82Å; Q100-L103 WeakPolarHBondContact O-CB 3.19Å; Q100-L103 PolarHBondContact O-N 3.07Å; L103-I106 HydrophobicContact CD2-CD1 4.38Å; L103-I106 PolarHBondContact O-N 3.01Å; L103-S107 PolarHBondContact O-N 2.65Å; L103-F139 HydrophobicContact CD1-CE1 3.88Å; L103-F139 HydrophobicContact CD1-CZ 3.76Å; L103-N143 HydrophobicContact CD1-CB 4.05Å; L103-M145 HydrophobicContact CD1-CE 4.16Å; L103-M145 HydrophobicContact CD2-CE 4.22Å; L103-M145 HydrophobicContact CD2-SD 3.68Å |
| 104 | H | 93 | Very high | 94.1 | Very high | 119 Ų | 119 | 54.9 Ų | 54.9 | 55% | 0.551 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62 | -44.7 | 174.5 | -176.8 | 56.6 | 0 | 0 | 0 | 111.5 | Q100 S101 W102 I106 S107 C108 | Q100-H104 PolarHBondContact O-N 3.29Å; S101-H104 WeakPolarHBondContact O-CB 3.44Å; S101-H104 PolarHBondContact O-N 2.97Å; W102-H104 VanDerWaalsContact C-N 3.3Å; W102-H104 PolarHBondContact O-N 3.49Å; H104-I106 PolarHBondContact O-N 2.83Å; H104-S107 PolarHBondContact O-N 3.3Å; H104-S107 VanDerWaalsContact O-N 3.15Å; H104-S107 PolarHBondContact O-OG 2.79Å; H104-C108 VanDerWaalsContact CE1-SG 3.58Å; H104-C108 PolarHBondContact O-N 3.41Å; H104-C108 VanDerWaalsContact O-N 3.08Å; H104-C108 PolarHBondContact O-SG 2.9Å; H104-C108 VanDerWaalsContact O-SG 3.33Å |
| 105 | E | 90.5 | Very high | 94 | Very high | 18 Ų | 18 | 52.2 Ų | 52.2 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 174.3 | -70.9 | -166.7 | -176.5 | 0 | 0 | 112.8 | R71 Y78 S101 W102 S107 C108 Y109 | R71-E105 VanDerWaalsContact CD-OE1 3.24Å; R71-E105 WeakPolarHBondContact CD-OE1 3.26Å; R71-E105 WeakPolarHBondContact CG-OE1 3.28Å; R71-E105 IonicContact CZ-OE1 2.8Å; R71-E105 IonicContact NE-OE1 3.46Å; R71-E105 IonicContact NH1-OE1 2.74Å; R71-E105 PolarHBondContact NH1-OE1 3Å; Y78-E105 HydrophobicContact CE1-CB 4.42Å; Y78-E105 PolarHBondContact OH-OE2 3.06Å; S101-E105 PolarHBondContact O-N 2.95Å; S101-E105 VanDerWaalsContact O-N 3.1Å; W102-E105 WeakPolarHBondContact CZ3-OE2 3.13Å; W102-E105 PolarHBondContact O-N 3.22Å; E105-S107 VanDerWaalsContact C-N 3.27Å; E105-S107 PolarHBondContact O-N 3.01Å; E105-C108 PolarHBondContact O-N 2.93Å; E105-C108 VanDerWaalsContact O-N 3.1Å; E105-Y109 HydrophobicContact CB-CD2 4.33Å; E105-Y109 VanDerWaalsContact O-CD2 3.24Å; E105-Y109 WeakPolarHBondContact O-CD2 3.19Å; E105-Y109 PolarHBondContact O-N 3.42Å |
| 106 | I | 93.6 | Very high | 94 | Very high | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.036 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.5 | -46.7 | 175.4 | -66.6 | 169 | 0 | 0 | 0 | 110 | I14 Y78 I84 I86 W102 L103 H104 C108 Y109 A110 V114 | I14-I106 HydrophobicContact CD1-CD1 3.85Å; I14-I106 HydrophobicContact CD1-CG1 3.9Å; Y78-I106 HydrophobicContact CD1-CG1 4.24Å; Y78-I106 HydrophobicContact CE1-CB 4.46Å; Y78-I106 HydrophobicContact CE1-CG1 3.69Å; I84-I106 HydrophobicContact CB-CD1 4.3Å; I84-I106 HydrophobicContact CD1-CD1 4.38Å; I84-I106 HydrophobicContact CD1-CG1 3.89Å; I84-I106 HydrophobicContact CD1-CG2 4.07Å; I84-I106 HydrophobicContact CG2-CD1 3.75Å; I84-I106 HydrophobicContact CG2-CG1 4.13Å; I86-I106 HydrophobicContact CD1-CD1 3.6Å; I86-I106 HydrophobicContact CG1-CD1 3.93Å; W102-I106 WeakPolarHBondContact O-CG1 3.45Å; W102-I106 PolarHBondContact O-N 2.84Å; L103-I106 HydrophobicContact CD2-CD1 4.38Å; L103-I106 PolarHBondContact O-N 3.01Å; H104-I106 PolarHBondContact O-N 2.83Å; I106-C108 PolarHBondContact O-N 2.91Å; I106-Y109 PolarHBondContact O-N 2.85Å; I106-A110 HydrophobicContact CG2-CB 3.91Å; I106-A110 VanDerWaalsContact O-CB 3.3Å; I106-A110 WeakPolarHBondContact O-CB 3.4Å; I106-A110 PolarHBondContact O-N 2.84Å; I106-V114 HydrophobicContact CG2-CG1 3.83Å |
| 107 | S | 92.7 | Very high | 94 | Very high | 87 Ų | 87 | 54.3 Ų | 54.3 | 61% | 0.608 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63.7 | -27.9 | -179.3 | 74.6 | 0 | 0 | 0 | 0 | 113.7 | L103 H104 E105 | L103-S107 PolarHBondContact O-N 2.65Å; H104-S107 PolarHBondContact O-N 3.3Å; H104-S107 VanDerWaalsContact O-N 3.15Å; H104-S107 PolarHBondContact O-OG 2.79Å; E105-S107 VanDerWaalsContact C-N 3.27Å; E105-S107 PolarHBondContact O-N 3.01Å |
| 108 | C | 91.3 | Very high | 94.1 | Very high | 68 Ų | 68 | 51.4 Ų | 51.4 | 46% | 0.459 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -83.3 | -33.7 | 180 | -69.6 | 0 | 0 | 0 | 0 | 113.2 | H104 E105 I106 | H104-C108 VanDerWaalsContact CE1-SG 3.58Å; H104-C108 PolarHBondContact O-N 3.41Å; H104-C108 VanDerWaalsContact O-N 3.08Å; H104-C108 PolarHBondContact O-SG 2.9Å; H104-C108 VanDerWaalsContact O-SG 3.33Å; E105-C108 PolarHBondContact O-N 2.93Å; E105-C108 VanDerWaalsContact O-N 3.1Å; I106-C108 PolarHBondContact O-N 2.91Å |
| 109 | Y | 91.6 | Very high | 94.2 | Very high | 118 Ų | 118 | 48.6 Ų | 48.6 | 46% | 0.463 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -122.7 | -21.5 | -165.5 | -55.5 | -58.4 | 0 | 0 | 0 | 115.8 | Y78 E105 I106 | Y78-Y109 HydrophobicContact CD2-CD2 4.48Å; E105-Y109 HydrophobicContact CB-CD2 4.33Å; E105-Y109 VanDerWaalsContact O-CD2 3.24Å; E105-Y109 WeakPolarHBondContact O-CD2 3.19Å; E105-Y109 PolarHBondContact O-N 3.42Å; I106-Y109 PolarHBondContact O-N 2.85Å |
| 110 | A | 92.8 | Very high | 94.3 | Very high | 19 Ų | 19 | 48.5 Ų | 48.5 | 16% | 0.157 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -92.4 | 164.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y78 I84 I106 V114 | Y78-A110 HydrophobicContact CD1-CB 4.3Å; I84-A110 HydrophobicContact CD1-CB 3.83Å; I106-A110 HydrophobicContact CG2-CB 3.91Å; I106-A110 VanDerWaalsContact O-CB 3.3Å; I106-A110 WeakPolarHBondContact O-CB 3.4Å; I106-A110 PolarHBondContact O-N 2.84Å; A110-V114 HydrophobicContact CB-CB 4.31Å; A110-V114 HydrophobicContact CB-CG1 3.88Å |
| 111 | N | 91.4 | Very high | 94.4 | Very high | 83 Ų | 83 | 43.7 Ų | 43.7 | 44% | 0.444 | 25% | 0.249 | S | C | . | . | trans | -68.1 | 145.5 | 170.6 | -61 | -56.9 | 0 | 0 | 0 | 110.2 | R79 T113 V114 | R79-N111 PolarHBondContact O-ND2 2.71Å; N111-T113 PolarHBondContact O-N 3.06Å; N111-T113 VanDerWaalsContact O-N 3.09Å; N111-V114 VanDerWaalsContact O-CB 3.27Å; N111-V114 WeakPolarHBondContact O-CB 3.37Å; N111-V114 WeakPolarHBondContact O-CG1 3.39Å; N111-V114 PolarHBondContact O-N 3.01Å | ||
| 112 | S | 89.8 | Confident | 94.6 | Very high | 127 Ų | 127 | 43.6 Ų | 43.6 | 89% | 0.888 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20.9 | 179.9 | 54.7 | 0 | 0 | 0 | 0 | 114 | V114 | S112-V114 VanDerWaalsContact C-N 3.35Š|
| 113 | T | 90.8 | Very high | 94.8 | Very high | 112 Ų | 112 | 44.6 Ų | 44.6 | 69% | 0.687 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | 6.3 | 178.5 | 62.5 | 0 | 0 | 0 | 0 | 113.4 | N111 S115 | N111-T113 PolarHBondContact O-N 3.06Å; N111-T113 VanDerWaalsContact O-N 3.09Å; T113-S115 PolarHBondContact O-N 3.4Å |
| 114 | V | 95.2 | Very high | 95 | Very high | 12 Ų | 12 | 46.3 Ų | 46.3 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | trans | -64.1 | 131.4 | -179 | 72.6 | 0 | 0 | 0 | 0 | 110.7 | I84 I106 A110 N111 S112 R116 | I84-V114 HydrophobicContact CB-CG2 4.47Å; I84-V114 HydrophobicContact CD1-CG1 4.34Å; I84-V114 HydrophobicContact CD1-CG2 3.78Å; I84-V114 HydrophobicContact CG1-CG2 3.68Å; I106-V114 HydrophobicContact CG2-CG1 3.83Å; A110-V114 HydrophobicContact CB-CB 4.31Å; A110-V114 HydrophobicContact CB-CG1 3.88Å; N111-V114 VanDerWaalsContact O-CB 3.27Å; N111-V114 WeakPolarHBondContact O-CB 3.37Å; N111-V114 WeakPolarHBondContact O-CG1 3.39Å; N111-V114 PolarHBondContact O-N 3.01Å; S112-V114 VanDerWaalsContact C-N 3.35Å; V114-R116 HydrophobicContact CG1-CG 4.3Å | ||
| 115 | S | 97.2 | Very high | 95.2 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 139.5 | 176.2 | -58.6 | 0 | 0 | 0 | 0 | 109.8 | Q82 G83 I84 T113 N172 | Q82-S115 PolarHBondContact O-N 3.05Å; G83-S115 CarbonylContact C-O 3.58Å; G83-S115 VanDerWaalsContact CA-O 3.3Å; G83-S115 WeakPolarHBondContact CA-O 3.48Å; I84-S115 PolarHBondContact N-O 3.38Å; T113-S115 PolarHBondContact O-N 3.4Å; S115-N172 PolarHBondContact OG-ND2 3.45Å |
| 116 | R | 97.3 | Very high | 95.5 | Very high | 64 Ų | 64 | 45 Ų | 45 | 24% | 0.242 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132.7 | -173.6 | -64.9 | 173.1 | -66.9 | 170.3 | 5.8 | 110.9 | I84 V114 N143 Q144 M145 S146 | I84-R116 WeakPolarHBondContact O-CA 3.21Å; V114-R116 HydrophobicContact CG1-CG 4.3Å; R116-N143 PolarHBondContact NH1-O 3.43Å; R116-N143 PolarHBondContact NH2-O 3.13Å; R116-Q144 PolarHBondContact NH2-O 3.19Å; R116-M145 HydrophobicContact CB-CB 4.27Å; R116-M145 HydrophobicContact CB-CG 3.67Å; R116-M145 HydrophobicContact CB-SD 4Å; R116-M145 WeakPolarHBondContact O-CA 3.31Å; R116-S146 PolarHBondContact O-N 3.13Å |
| 117 | L | 98.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 126.1 | 176.6 | 177.1 | 68.2 | 0 | 0 | 0 | 108.8 | I84 I85 I86 V119 S146 I148 A161 K164 M165 | I84-L117 PolarHBondContact O-N 3.01Å; I85-L117 CarbonylContact C-O 3.35Å; I85-L117 WeakPolarHBondContact CA-O 3.4Å; I85-L117 HydrophobicContact CD1-CD2 4.34Å; I85-L117 HydrophobicContact CG1-CB 4.38Å; I85-L117 HydrophobicContact CG1-CD2 4.24Å; I85-L117 HydrophobicContact CG2-CD2 4.36Å; I86-L117 PolarHBondContact N-O 3.12Å; L117-V119 HydrophobicContact CD2-CG2 3.89Å; L117-V119 HydrophobicContact CG-CG2 3.91Å; L117-S146 WeakPolarHBondContact CA-O 3.16Å; L117-S146 VanDerWaalsContact CD1-CB 3.42Å; L117-I148 HydrophobicContact CD1-CG2 4.07Å; L117-I148 HydrophobicContact CD2-CG2 4.3Å; L117-I148 HydrophobicContact CG-CG2 4.44Å; L117-A161 HydrophobicContact CD2-CB 4.24Å; L117-A161 WeakPolarHBondContact CD2-O 3.31Å; L117-K164 HydrophobicContact CD1-CD 4.27Å; L117-M165 HydrophobicContact CB-CE 3.37Å; L117-M165 HydrophobicContact CD2-CB 4.29Å |
| 118 | L | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 128.5 | 168.2 | -176.5 | 65.3 | 0 | 0 | 0 | 109.4 | I86 Y88 F96 V99 F139 A140 M145 S146 F147 I148 | I86-L118 HydrophobicContact CB-CD1 4.24Å; I86-L118 HydrophobicContact CG2-CD1 4.37Å; Y88-L118 HydrophobicContact CD1-CD1 3.78Å; Y88-L118 HydrophobicContact CD1-CG 4.19Å; Y88-L118 HydrophobicContact CE1-CD1 4.13Å; Y88-L118 HydrophobicContact CE1-CD2 4.24Å; Y88-L118 HydrophobicContact CE1-CG 4.02Å; F96-L118 HydrophobicContact CE2-CD2 4.23Å; V99-L118 HydrophobicContact CG1-CD1 3.88Å; V99-L118 HydrophobicContact CG2-CD1 4.02Å; L118-F139 HydrophobicContact CD2-CD1 4.13Å; L118-A140 HydrophobicContact CB-CB 4.28Å; L118-A140 HydrophobicContact CD2-CB 4.05Å; L118-M145 HydrophobicContact CB-CE 4.04Å; L118-M145 HydrophobicContact CD2-CE 4.35Å; L118-S146 PolarHBondContact N-O 3.06Å; L118-F147 HydrophobicContact CB-CD2 4.12Å; L118-F147 HydrophobicContact CD2-CD2 4Å; L118-F147 HydrophobicContact CD2-CE2 4.37Å; L118-F147 HydrophobicContact CG-CD2 4.02Å; L118-F147 HydrophobicContact CG-CE2 4.45Å; L118-F147 WeakPolarHBondContact O-CA 3.4Å; L118-F147 WeakPolarHBondContact O-CD2 3.46Å; L118-I148 PolarHBondContact O-N 3.49Å; L118-I148 VanDerWaalsContact O-N 3.11Å |
| 119 | V | 98.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 115.2 | 179.3 | 176.1 | 0 | 0 | 0 | 0 | 110 | L24 I85 I86 V87 Y88 L117 N121 I148 T150 A161 | L24-V119 HydrophobicContact CD1-CG1 4.07Å; I85-V119 HydrophobicContact CG2-CB 4.18Å; I85-V119 HydrophobicContact CG2-CG2 3.4Å; I85-V119 VanDerWaalsContact CG2-CG2 3.4Å; I86-V119 PolarHBondContact O-N 2.61Å; V87-V119 WeakPolarHBondContact CA-O 3.49Å; V87-V119 HydrophobicContact CG1-CG1 4.4Å; V87-V119 HydrophobicContact CG2-CB 4.34Å; Y88-V119 VanDerWaalsContact CD1-O 3.29Å; Y88-V119 WeakPolarHBondContact CD1-O 3.43Å; Y88-V119 PolarHBondContact N-O 2.94Å; L117-V119 HydrophobicContact CD2-CG2 3.89Å; L117-V119 HydrophobicContact CG-CG2 3.91Å; V119-N121 PolarHBondContact O-N 2.89Å; V119-I148 VanDerWaalsContact CA-O 3.32Å; V119-I148 WeakPolarHBondContact CA-O 3.44Å; V119-I148 HydrophobicContact CG2-CG2 3.87Å; V119-T150 HydrophobicContact CG1-CG2 3.71Å; V119-T150 WeakPolarHBondContact CG1-OG1 3.49Å; V119-A161 HydrophobicContact CG2-CB 4.44Å |
| 120 | G | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 98.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y88 I148 E149 T150 | Y88-G120 VanDerWaalsContact CZ-CA 3.44Å; G120-I148 PolarHBondContact N-O 3.48Å; G120-E149 CarbonylContact O-C 3.59Å; G120-E149 WeakPolarHBondContact O-CA 3.29Å; G120-T150 PolarHBondContact O-N 3.14Å |
| 121 | N | 98.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 164.4 | -176.5 | -167.3 | 34.2 | 0 | 0 | 0 | 112.5 | V19 L24 V87 Y88 I90 V119 T150 A152 | V19-N121 PolarHBondContact O-ND2 3.44Å; L24-N121 HydrophobicContact CD1-CB 4.29Å; V87-N121 HydrophobicContact CG1-CB 3.76Å; Y88-N121 PolarHBondContact O-N 3.33Å; I90-N121 WeakPolarHBondContact CG1-O 3.31Å; I90-N121 WeakPolarHBondContact CG2-O 3.21Å; I90-N121 PolarHBondContact N-O 3.29Å; V119-N121 PolarHBondContact O-N 2.89Å; N121-T150 CarbonylContact C-O 3.51Å; N121-T150 VanDerWaalsContact CA-O 3.3Å; N121-T150 WeakPolarHBondContact CA-O 3.49Å; N121-T150 PolarHBondContact OD1-O 2.99Å; N121-T150 PolarHBondContact OD1-OG1 3.37Å; N121-T150 VanDerWaalsContact OD1-OG1 3.05Å; N121-A152 PolarHBondContact OD1-N 3.22Å |
| 122 | K | 98.2 | Very high | 97.1 | Very high | 55 Ų | 55 | 52.3 Ų | 52.3 | 24% | 0.239 | 28% | 0.282 | C | S | . | . | trans | 69.4 | 36 | -177.9 | -44.8 | -170.9 | -166 | 169 | 0 | 113.5 | G18 D89 I90 D124 L125 T150 | G18-K122 WeakPolarHBondContact O-CE 3.16Å; G18-K122 PolarHBondContact O-NZ 2.58Å; D89-K122 VanDerWaalsContact OD2-CD 3.28Å; D89-K122 WeakPolarHBondContact OD2-CD 3.5Å; D89-K122 WeakPolarHBondContact OD2-CE 3.42Å; D89-K122 IonicContact OD2-NZ 3.48Å; D89-K122 PolarHBondContact OD2-NZ 3.46Å; I90-K122 WeakPolarHBondContact CD1-O 3.27Å; I90-K122 WeakPolarHBondContact CG1-O 3.23Å; K122-D124 WeakPolarHBondContact CA-OD1 3.28Å; K122-D124 PolarHBondContact O-N 3.35Å; K122-D124 VanDerWaalsContact O-N 3.12Å; K122-L125 HydrophobicContact CB-CD1 4.26Å; K122-L125 HydrophobicContact CD-CD1 4.4Å; K122-L125 PolarHBondContact O-N 2.84Å; K122-T150 PolarHBondContact N-O 3.36Å | ||
| 123 | C | 98.3 | Very high | 97.5 | Very high | 24 Ų | 24 | 48.8 Ų | 48.8 | 16% | 0.162 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -62.6 | -16.3 | 177.9 | 71.8 | 0 | 0 | 0 | 0 | 114 | I90 L125 A126 E149 T150 | I90-C123 HydrophobicContact CD1-CB 4.44Å; C123-L125 PolarHBondContact O-N 3.33Å; C123-A126 PolarHBondContact O-N 3.13Å; C123-E149 HydrophobicContact CB-CB 4.18Å; C123-T150 PolarHBondContact N-O 2.95Å; C123-T150 PolarHBondContact SG-O 2.98Å; C123-T150 VanDerWaalsContact SG-O 3.34Å |
| 124 | D | 98 | Very high | 97.9 | Very high | 50 Ų | 50 | 47.2 Ų | 47.2 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -62.5 | -22.4 | 170.1 | 60 | -73.7 | 0 | 0 | 0 | 113.1 | K122 A126 S151 K153 | K122-D124 WeakPolarHBondContact CA-OD1 3.28Å; K122-D124 PolarHBondContact O-N 3.35Å; K122-D124 VanDerWaalsContact O-N 3.12Å; D124-A126 VanDerWaalsContact C-N 3.3Å; D124-A126 PolarHBondContact O-N 3.01Å; D124-S151 VanDerWaalsContact CG-OG 3.26Å; D124-S151 VanDerWaalsContact OD1-CB 3.26Å; D124-S151 WeakPolarHBondContact OD1-CB 3.24Å; D124-S151 PolarHBondContact OD1-OG 2.8Å; D124-K153 WeakPolarHBondContact OD2-CD 3.28Å |
| 125 | L | 97.1 | Very high | 98 | Very high | 47 Ų | 47 | 50 Ų | 50 | 25% | 0.246 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -93.7 | 40.2 | 177.9 | -57.4 | -179.2 | 0 | 0 | 0 | 112.4 | T91 K122 C123 N127 R128 R129 | T91-L125 HydrophobicContact CG2-CB 3.61Å; T91-L125 HydrophobicContact CG2-CD1 4.04Å; T91-L125 HydrophobicContact CG2-CG 4.48Å; K122-L125 HydrophobicContact CB-CD1 4.26Å; K122-L125 HydrophobicContact CD-CD1 4.4Å; K122-L125 PolarHBondContact O-N 2.84Å; C123-L125 PolarHBondContact O-N 3.33Å; L125-N127 PolarHBondContact O-N 2.88Å; L125-R128 PolarHBondContact O-N 2.97Å; L125-R129 PolarHBondContact O-N 3.14Å |
| 126 | A | 95.9 | Very high | 98.1 | Very high | 61 Ų | 61 | 49.7 Ų | 49.7 | 50% | 0.504 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -54.8 | -30.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | C123 D124 R128 R129 | C123-A126 PolarHBondContact O-N 3.13Å; D124-A126 VanDerWaalsContact C-N 3.3Å; D124-A126 PolarHBondContact O-N 3.01Å; A126-R128 PolarHBondContact O-N 3.25Å; A126-R129 WeakPolarHBondContact O-CB 3.41Å; A126-R129 PolarHBondContact O-N 3.17Å |
| 127 | N | 97.4 | Very high | 98.1 | Very high | 139 Ų | 139 | 52.2 Ų | 52.2 | 74% | 0.743 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -70.7 | -12.7 | 176 | 65.7 | -32.9 | 0 | 0 | 0 | 114.5 | L125 | L125-N127 PolarHBondContact O-N 2.88Š|
| 128 | R | 97.4 | Very high | 98.1 | Very high | 174 Ų | 174 | 58.9 Ų | 58.9 | 66% | 0.657 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -114 | 14.3 | 176.3 | -61.5 | -175.3 | -179.6 | -178.3 | 1 | 112.1 | T91 L125 A126 A130 | T91-R128 WeakPolarHBondContact CA-O 3.46Å; T91-R128 WeakPolarHBondContact CB-O 3.46Å; T91-R128 HydrophobicContact CG2-CB 3.9Å; L125-R128 PolarHBondContact O-N 2.97Å; A126-R128 PolarHBondContact O-N 3.25Å; R128-A130 PolarHBondContact O-N 2.93Å |
| 129 | R | 98.4 | Very high | 98.1 | Very high | 62 Ų | 62 | 60.8 Ų | 60.8 | 23% | 0.234 | 32% | 0.316 | C | S | . | . | trans | -57.1 | 124.3 | -180 | 179.2 | 178 | -68.3 | -85.8 | 7 | 110.1 | I90 L125 A126 V131 T133 E149 | I90-R129 HydrophobicContact CD1-CB 4.39Å; I90-R129 HydrophobicContact CD1-CG 4.47Å; L125-R129 PolarHBondContact O-N 3.14Å; A126-R129 WeakPolarHBondContact O-CB 3.41Å; A126-R129 PolarHBondContact O-N 3.17Å; R129-V131 VanDerWaalsContact CD-O 3.3Å; R129-V131 WeakPolarHBondContact CD-O 3.31Å; R129-V131 WeakPolarHBondContact CG-O 2.88Å; R129-V131 PolarHBondContact NH1-O 3.07Å; R129-T133 PolarHBondContact NH1-OG1 3.5Å; R129-E149 IonicContact CZ-OE1 3.64Å; R129-E149 IonicContact CZ-OE2 2.63Å; R129-E149 IonicContact NH1-OE1 3.46Å; R129-E149 PolarHBondContact NH1-OE1 3.44Å; R129-E149 IonicContact NH1-OE2 2.94Å; R129-E149 IonicContact NH2-OE1 3.63Å; R129-E149 PolarHBondContact NH2-OE1 3.23Å; R129-E149 IonicContact NH2-OE2 2.65Å; R129-E149 PolarHBondContact NH2-OE2 3.44Å | ||
| 130 | A | 98.3 | Very high | 98.1 | Very high | 46 Ų | 46 | 60.8 Ų | 60.8 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | trans | -104.2 | -25 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I90 T91 Q93 R128 | I90-A130 PolarHBondContact O-N 3.23Å; T91-A130 WeakPolarHBondContact O-CB 3.14Å; Q93-A130 HydrophobicContact CB-CB 4.29Å; Q93-A130 PolarHBondContact OE1-O 3.05Å; Q93-A130 VanDerWaalsContact OE1-O 3.12Å; R128-A130 PolarHBondContact O-N 2.93Å | ||
| 131 | V | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -111.7 | 115.2 | -178.7 | -172.6 | 0 | 0 | 0 | 0 | 110.2 | Y88 I90 F96 R129 A136 | Y88-V131 HydrophobicContact CD2-CG2 4.36Å; Y88-V131 HydrophobicContact CE2-CB 3.89Å; Y88-V131 HydrophobicContact CE2-CG1 3.83Å; Y88-V131 HydrophobicContact CE2-CG2 3.98Å; I90-V131 PolarHBondContact O-N 3.36Å; F96-V131 HydrophobicContact CB-CG1 4.27Å; F96-V131 HydrophobicContact CB-CG2 3.72Å; F96-V131 HydrophobicContact CD1-CG1 4.01Å; F96-V131 HydrophobicContact CD2-CG1 3.97Å; F96-V131 HydrophobicContact CE1-CG1 4.34Å; F96-V131 HydrophobicContact CE2-CG1 4.31Å; F96-V131 HydrophobicContact CG-CG1 3.81Å; F96-V131 HydrophobicContact CG-CG2 4.17Å; F96-V131 HydrophobicContact CZ-CG1 4.48Å; R129-V131 VanDerWaalsContact CD-O 3.3Å; R129-V131 WeakPolarHBondContact CD-O 3.31Å; R129-V131 WeakPolarHBondContact CG-O 2.88Å; R129-V131 PolarHBondContact NH1-O 3.07Å; V131-A136 HydrophobicContact CG1-CB 4.22Å |
| 132 | E | 98.1 | Very high | 98 | Very high | 114 Ų | 114 | 74 Ų | 74 | 53% | 0.533 | 38% | 0.378 | S | S | . | . | trans | -64.2 | 135.5 | 175 | -70.2 | -59 | 150.1 | 0 | 0 | 111.7 | S134 V135 A136 | E132-S134 PolarHBondContact O-N 3.37Å; E132-V135 HydrophobicContact CB-CB 4.3Å; E132-V135 HydrophobicContact CB-CG2 3.91Å; E132-V135 PolarHBondContact O-N 2.91Å; E132-V135 VanDerWaalsContact O-N 3.13Å; E132-A136 PolarHBondContact O-N 3.24Å; E132-A136 VanDerWaalsContact O-N 3.13Å | ||
| 133 | T | 98.2 | Very high | 97.9 | Very high | 53 Ų | 53 | 73 Ų | 73 | 33% | 0.325 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.7 | -35.6 | -179.8 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | R129 K137 F147 E149 | R129-T133 PolarHBondContact NH1-OG1 3.5Å; T133-K137 VanDerWaalsContact O-CB 3.29Å; T133-K137 WeakPolarHBondContact O-CB 3.47Å; T133-K137 PolarHBondContact O-N 2.86Å; T133-F147 HydrophobicContact CG2-CE1 3.82Å; T133-F147 HydrophobicContact CG2-CZ 4.29Å; T133-E149 WeakPolarHBondContact CB-OE1 3.45Å; T133-E149 HydrophobicContact CG2-CG 4.49Å; T133-E149 WeakPolarHBondContact CG2-OE1 3.49Å; T133-E149 PolarHBondContact OG1-OE1 2.99Å; T133-E149 PolarHBondContact OG1-OE2 2.99Å |
| 134 | S | 98.2 | Very high | 97.8 | Very high | 79 Ų | 79 | 79.5 Ų | 79.5 | 55% | 0.552 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65 | -43.3 | 177.4 | 52.7 | 0 | 0 | 0 | 0 | 112.3 | E132 K137 E138 | E132-S134 PolarHBondContact O-N 3.37Å; S134-K137 PolarHBondContact O-N 2.86Å; S134-E138 WeakPolarHBondContact O-CB 3.33Å; S134-E138 PolarHBondContact O-N 3.21Å |
| 135 | V | 98.1 | Very high | 97.7 | Very high | 70 Ų | 70 | 77.5 Ų | 77.5 | 42% | 0.424 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 178.1 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | F96 E132 F139 | F96-V135 HydrophobicContact CE1-CG1 4.08Å; F96-V135 HydrophobicContact CZ-CG1 4.33Å; E132-V135 HydrophobicContact CB-CB 4.3Å; E132-V135 HydrophobicContact CB-CG2 3.91Å; E132-V135 PolarHBondContact O-N 2.91Å; E132-V135 VanDerWaalsContact O-N 3.13Å; V135-F139 WeakPolarHBondContact O-CB 3.3Å; V135-F139 PolarHBondContact O-N 2.99Å |
| 136 | A | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y88 F96 V131 E132 F139 A140 F147 | Y88-A136 HydrophobicContact CE1-CB 4.34Å; Y88-A136 WeakPolarHBondContact OH-CB 3.44Å; F96-A136 HydrophobicContact CD2-CB 4.45Å; F96-A136 HydrophobicContact CE2-CB 3.73Å; F96-A136 HydrophobicContact CZ-CB 4.21Å; V131-A136 HydrophobicContact CG1-CB 4.22Å; E132-A136 PolarHBondContact O-N 3.24Å; E132-A136 VanDerWaalsContact O-N 3.13Å; A136-F139 PolarHBondContact O-N 2.71Å; A136-A140 PolarHBondContact O-N 3.03Å; A136-F147 HydrophobicContact CB-CE2 3.72Å; A136-F147 HydrophobicContact CB-CZ 3.72Å |
| 137 | K | 98.5 | Very high | 97.9 | Very high | 116 Ų | 116 | 75.2 Ų | 75.2 | 50% | 0.504 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.5 | -48.2 | 175.6 | -173 | -174 | 174.6 | -163.2 | 0 | 111.8 | T133 S134 F139 A140 D141 F147 | T133-K137 VanDerWaalsContact O-CB 3.29Å; T133-K137 WeakPolarHBondContact O-CB 3.47Å; T133-K137 PolarHBondContact O-N 2.86Å; S134-K137 PolarHBondContact O-N 2.86Å; K137-F139 VanDerWaalsContact C-N 3.29Å; K137-F139 PolarHBondContact O-N 3.02Å; K137-A140 WeakPolarHBondContact O-CB 3.46Å; K137-A140 PolarHBondContact O-N 3.24Å; K137-A140 VanDerWaalsContact O-N 3.12Å; K137-D141 PolarHBondContact O-N 2.83Å; K137-F147 HydrophobicContact CB-CD1 3.78Å; K137-F147 HydrophobicContact CB-CE1 4.06Å; K137-F147 HydrophobicContact CG-CD1 4.09Å |
| 138 | E | 98.5 | Very high | 97.9 | Very high | 142 Ų | 142 | 69.6 Ų | 69.6 | 66% | 0.664 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -59.9 | -41.4 | 177.3 | -175.4 | -178.6 | 173.5 | 0 | 0 | 111.4 | S134 A140 D141 K142 | S134-E138 WeakPolarHBondContact O-CB 3.33Å; S134-E138 PolarHBondContact O-N 3.21Å; E138-A140 PolarHBondContact O-N 2.88Å; E138-D141 PolarHBondContact O-N 2.79Å; E138-K142 WeakPolarHBondContact O-CB 3.36Å; E138-K142 PolarHBondContact O-N 3.42Å |
| 139 | F | 98.5 | Very high | 98 | Very high | 40 Ų | 40 | 62.7 Ų | 62.7 | 18% | 0.175 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 174 | 179.6 | -85.9 | 0 | 0 | 0 | 112.4 | F96 V99 L103 L118 V135 A136 K137 N143 M145 | F96-F139 HydrophobicContact CE2-CB 4.43Å; F96-F139 HydrophobicContact CE2-CD1 4.39Å; F96-F139 HydrophobicContact CE2-CG 4.41Å; F96-F139 HydrophobicContact CZ-CB 3.78Å; F96-F139 HydrophobicContact CZ-CD1 4.32Å; F96-F139 HydrophobicContact CZ-CD2 4.37Å; F96-F139 AromaticContact CZ-CG 3.9Å; F96-F139 HydrophobicContact CZ-CG 3.9Å; V99-F139 HydrophobicContact CB-CE1 4.28Å; V99-F139 HydrophobicContact CB-CZ 4.44Å; V99-F139 HydrophobicContact CG1-CD1 4.44Å; V99-F139 HydrophobicContact CG1-CE1 3.49Å; V99-F139 VanDerWaalsContact CG1-CE1 3.49Å; V99-F139 HydrophobicContact CG1-CZ 3.98Å; L103-F139 HydrophobicContact CD1-CE1 3.88Å; L103-F139 HydrophobicContact CD1-CZ 3.76Å; L118-F139 HydrophobicContact CD2-CD1 4.13Å; V135-F139 WeakPolarHBondContact O-CB 3.3Å; V135-F139 PolarHBondContact O-N 2.99Å; A136-F139 PolarHBondContact O-N 2.71Å; K137-F139 VanDerWaalsContact C-N 3.29Å; K137-F139 PolarHBondContact O-N 3.02Å; F139-N143 WeakPolarHBondContact CZ-ND2 3.37Å; F139-N143 WeakPolarHBondContact O-CB 3.49Å; F139-N143 PolarHBondContact O-N 2.89Å; F139-N143 VanDerWaalsContact O-N 3.16Å; F139-N143 PolarHBondContact O-ND2 3.08Å; F139-M145 HydrophobicContact CD1-CE 4.14Å; F139-M145 HydrophobicContact CE1-CE 3.83Å |
| 140 | A | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L118 A136 K137 E138 K142 N143 Q144 M145 F147 | L118-A140 HydrophobicContact CB-CB 4.28Å; L118-A140 HydrophobicContact CD2-CB 4.05Å; A136-A140 PolarHBondContact O-N 3.03Å; K137-A140 WeakPolarHBondContact O-CB 3.46Å; K137-A140 PolarHBondContact O-N 3.24Å; K137-A140 VanDerWaalsContact O-N 3.12Å; E138-A140 PolarHBondContact O-N 2.88Å; A140-K142 PolarHBondContact O-N 2.95Å; A140-N143 CarbonylContact O-C 3.43Å; A140-N143 PolarHBondContact O-N 3.36Å; A140-N143 VanDerWaalsContact O-N 3.13Å; A140-Q144 PolarHBondContact O-N 3.43Å; A140-M145 HydrophobicContact CB-CB 4.21Å; A140-M145 PolarHBondContact O-N 2.83Å; A140-F147 HydrophobicContact CB-CB 3.78Å; A140-F147 HydrophobicContact CB-CG 4.46Å |
| 141 | D | 97.8 | Very high | 98 | Very high | 101 Ų | 101 | 57.6 Ų | 57.6 | 54% | 0.54 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 178.2 | -69.3 | -22.2 | 0 | 0 | 0 | 110.6 | K137 E138 N143 Q144 | K137-D141 PolarHBondContact O-N 2.83Å; E138-D141 PolarHBondContact O-N 2.79Å; D141-N143 PolarHBondContact O-N 3.13Å; D141-Q144 PolarHBondContact O-N 3.48Å; D141-Q144 VanDerWaalsContact O-N 3.11Å |
| 142 | K | 97.9 | Very high | 98 | Very high | 179 Ų | 179 | 57.7 Ų | 57.7 | 78% | 0.778 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -59.3 | -33.8 | 176.6 | -176.1 | 178.4 | 178.1 | 178.7 | 0 | 113 | E138 A140 | E138-K142 WeakPolarHBondContact O-CB 3.36Å; E138-K142 PolarHBondContact O-N 3.42Å; A140-K142 PolarHBondContact O-N 2.95Å |
| 143 | N | 96.6 | Very high | 97.9 | Very high | 36 Ų | 36 | 56.8 Ų | 56.8 | 19% | 0.193 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 10 | -179.3 | -72.4 | -77.1 | 0 | 0 | 0 | 113.5 | L103 R116 F139 A140 D141 M145 | L103-N143 HydrophobicContact CD1-CB 4.05Å; R116-N143 PolarHBondContact NH1-O 3.43Å; R116-N143 PolarHBondContact NH2-O 3.13Å; F139-N143 WeakPolarHBondContact CZ-ND2 3.37Å; F139-N143 WeakPolarHBondContact O-CB 3.49Å; F139-N143 PolarHBondContact O-N 2.89Å; F139-N143 VanDerWaalsContact O-N 3.16Å; F139-N143 PolarHBondContact O-ND2 3.08Å; A140-N143 CarbonylContact O-C 3.43Å; A140-N143 PolarHBondContact O-N 3.36Å; A140-N143 VanDerWaalsContact O-N 3.13Å; D141-N143 PolarHBondContact O-N 3.13Å; N143-M145 HydrophobicContact CB-CE 4.02Å; N143-M145 HydrophobicContact CB-CG 4.3Å; N143-M145 PolarHBondContact O-N 3.05Å |
| 144 | Q | 95.1 | Very high | 97.8 | Very high | 160 Ų | 160 | 58.5 Ų | 58.5 | 75% | 0.748 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 49.7 | -179.3 | -54.5 | 170.4 | 11.4 | 0 | 0 | 112.4 | R116 A140 D141 | R116-Q144 PolarHBondContact NH2-O 3.19Å; A140-Q144 PolarHBondContact O-N 3.43Å; D141-Q144 PolarHBondContact O-N 3.48Å; D141-Q144 VanDerWaalsContact O-N 3.11Å |
| 145 | M | 96.9 | Very high | 97.7 | Very high | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.039 | 28% | 0.283 | C | S | . | . | trans | -118.6 | 146.2 | 175.2 | -56.7 | -166.2 | -74.1 | 0 | 0 | 110.2 | I86 L103 R116 L118 F139 A140 N143 | I86-M145 HydrophobicContact CD1-CE 4.47Å; I86-M145 HydrophobicContact CD1-SD 3.66Å; L103-M145 HydrophobicContact CD1-CE 4.16Å; L103-M145 HydrophobicContact CD2-CE 4.22Å; L103-M145 HydrophobicContact CD2-SD 3.68Å; R116-M145 HydrophobicContact CB-CB 4.27Å; R116-M145 HydrophobicContact CB-CG 3.67Å; R116-M145 HydrophobicContact CB-SD 4Å; R116-M145 WeakPolarHBondContact O-CA 3.31Å; L118-M145 HydrophobicContact CB-CE 4.04Å; L118-M145 HydrophobicContact CD2-CE 4.35Å; F139-M145 HydrophobicContact CD1-CE 4.14Å; F139-M145 HydrophobicContact CE1-CE 3.83Å; A140-M145 HydrophobicContact CB-CB 4.21Å; A140-M145 PolarHBondContact O-N 2.83Å; N143-M145 HydrophobicContact CB-CE 4.02Å; N143-M145 HydrophobicContact CB-CG 4.3Å; N143-M145 PolarHBondContact O-N 3.05Å | ||
| 146 | S | 97.3 | Very high | 97.7 | Very high | 31 Ų | 31 | 56.3 Ų | 56.3 | 22% | 0.217 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 155.1 | 161.6 | -74.1 | 0 | 0 | 0 | 0 | 109.9 | R116 L117 L118 | R116-S146 PolarHBondContact O-N 3.13Å; L117-S146 WeakPolarHBondContact CA-O 3.16Å; L117-S146 VanDerWaalsContact CD1-CB 3.42Å; L118-S146 PolarHBondContact N-O 3.06Å |
| 147 | F | 98.6 | Very high | 97.7 | Very high | 29 Ų | 29 | 59.1 Ų | 59.1 | 13% | 0.127 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 146.3 | 174.5 | 177 | -115.3 | 0 | 0 | 0 | 112 | Y88 L118 T133 A136 K137 A140 E149 K164 | Y88-F147 HydrophobicContact CE1-CE2 4.21Å; L118-F147 HydrophobicContact CB-CD2 4.12Å; L118-F147 HydrophobicContact CD2-CD2 4Å; L118-F147 HydrophobicContact CD2-CE2 4.37Å; L118-F147 HydrophobicContact CG-CD2 4.02Å; L118-F147 HydrophobicContact CG-CE2 4.45Å; L118-F147 WeakPolarHBondContact O-CA 3.4Å; L118-F147 WeakPolarHBondContact O-CD2 3.46Å; T133-F147 HydrophobicContact CG2-CE1 3.82Å; T133-F147 HydrophobicContact CG2-CZ 4.29Å; A136-F147 HydrophobicContact CB-CE2 3.72Å; A136-F147 HydrophobicContact CB-CZ 3.72Å; K137-F147 HydrophobicContact CB-CD1 3.78Å; K137-F147 HydrophobicContact CB-CE1 4.06Å; K137-F147 HydrophobicContact CG-CD1 4.09Å; A140-F147 HydrophobicContact CB-CB 3.78Å; A140-F147 HydrophobicContact CB-CG 4.46Å; F147-E149 HydrophobicContact CE1-CG 4.14Å; F147-E149 HydrophobicContact CE2-CG 4.33Å; F147-E149 HydrophobicContact CZ-CG 3.57Å; F147-K164 PolarHBondContact O-NZ 3.45Å |
| 148 | I | 98.7 | Very high | 97.7 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 11% | 0.108 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 148.6 | 170.1 | -166.1 | 165.7 | 0 | 0 | 0 | 110.1 | L117 L118 V119 G120 T150 N157 N160 A161 | L117-I148 HydrophobicContact CD1-CG2 4.07Å; L117-I148 HydrophobicContact CD2-CG2 4.3Å; L117-I148 HydrophobicContact CG-CG2 4.44Å; L118-I148 PolarHBondContact O-N 3.49Å; L118-I148 VanDerWaalsContact O-N 3.11Å; V119-I148 VanDerWaalsContact CA-O 3.32Å; V119-I148 WeakPolarHBondContact CA-O 3.44Å; V119-I148 HydrophobicContact CG2-CG2 3.87Å; G120-I148 PolarHBondContact N-O 3.48Å; I148-T150 HydrophobicContact CG2-CG2 4.24Å; I148-N157 HydrophobicContact CD1-CB 3.75Å; I148-N157 HydrophobicContact CG1-CB 4.01Å; I148-N160 HydrophobicContact CD1-CB 3.83Å; I148-A161 HydrophobicContact CG2-CB 3.83Å |
| 149 | E | 98.8 | Very high | 97.7 | Very high | 29 Ų | 29 | 50.3 Ų | 50.3 | 14% | 0.136 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 141.4 | 168.1 | -66.8 | -170 | 165.6 | 0 | 0 | 110.4 | G120 C123 R129 T133 F147 N157 | G120-E149 CarbonylContact O-C 3.59Å; G120-E149 WeakPolarHBondContact O-CA 3.29Å; C123-E149 HydrophobicContact CB-CB 4.18Å; R129-E149 IonicContact CZ-OE1 3.64Å; R129-E149 IonicContact CZ-OE2 2.63Å; R129-E149 IonicContact NH1-OE1 3.46Å; R129-E149 PolarHBondContact NH1-OE1 3.44Å; R129-E149 IonicContact NH1-OE2 2.94Å; R129-E149 IonicContact NH2-OE1 3.63Å; R129-E149 PolarHBondContact NH2-OE1 3.23Å; R129-E149 IonicContact NH2-OE2 2.65Å; R129-E149 PolarHBondContact NH2-OE2 3.44Å; T133-E149 WeakPolarHBondContact CB-OE1 3.45Å; T133-E149 HydrophobicContact CG2-CG 4.49Å; T133-E149 WeakPolarHBondContact CG2-OE1 3.49Å; T133-E149 PolarHBondContact OG1-OE1 2.99Å; T133-E149 PolarHBondContact OG1-OE2 2.99Å; F147-E149 HydrophobicContact CE1-CG 4.14Å; F147-E149 HydrophobicContact CE2-CG 4.33Å; F147-E149 HydrophobicContact CZ-CG 3.57Å; E149-N157 WeakPolarHBondContact O-CB 3.42Å; E149-N157 PolarHBondContact O-ND2 2.9Å |
| 150 | T | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 159.5 | -173.7 | 62 | 0 | 0 | 0 | 0 | 112.1 | L24 V119 G120 N121 K122 C123 I148 T156 N157 A161 | L24-T150 WeakPolarHBondContact CD2-OG1 3.41Å; V119-T150 HydrophobicContact CG1-CG2 3.71Å; V119-T150 WeakPolarHBondContact CG1-OG1 3.49Å; G120-T150 PolarHBondContact O-N 3.14Å; N121-T150 CarbonylContact C-O 3.51Å; N121-T150 VanDerWaalsContact CA-O 3.3Å; N121-T150 WeakPolarHBondContact CA-O 3.49Å; N121-T150 PolarHBondContact OD1-O 2.99Å; N121-T150 PolarHBondContact OD1-OG1 3.37Å; N121-T150 VanDerWaalsContact OD1-OG1 3.05Å; K122-T150 PolarHBondContact N-O 3.36Å; C123-T150 PolarHBondContact N-O 2.95Å; C123-T150 PolarHBondContact SG-O 2.98Å; C123-T150 VanDerWaalsContact SG-O 3.34Å; I148-T150 HydrophobicContact CG2-CG2 4.24Å; T150-T156 CarbonylContact C-O 3.53Å; T150-T156 VanDerWaalsContact CA-O 3.26Å; T150-T156 WeakPolarHBondContact CA-O 3.49Å; T150-N157 HydrophobicContact CG2-CB 4.01Å; T150-A161 HydrophobicContact CG2-CB 3.97Å |
| 151 | S | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -130.2 | 117.7 | 159.6 | 174.2 | 0 | 0 | 0 | 0 | 109.9 | D124 K153 D154 A155 T156 V158 | D124-S151 VanDerWaalsContact CG-OG 3.26Å; D124-S151 VanDerWaalsContact OD1-CB 3.26Å; D124-S151 WeakPolarHBondContact OD1-CB 3.24Å; D124-S151 PolarHBondContact OD1-OG 2.8Å; S151-K153 PolarHBondContact O-N 3.05Å; S151-K153 WeakPolarHBondContact OG-CB 3.47Å; S151-K153 PolarHBondContact OG-N 3.46Å; S151-K153 VanDerWaalsContact OG-N 3.13Å; S151-D154 WeakPolarHBondContact CB-OD1 3.21Å; S151-D154 PolarHBondContact OG-N 2.69Å; S151-D154 PolarHBondContact OG-OD1 2.93Å; S151-A155 CarbonylContact O-C 3.57Å; S151-A155 WeakPolarHBondContact O-CA 3.43Å; S151-A155 PolarHBondContact O-N 2.87Å; S151-T156 PolarHBondContact N-O 2.85Å; S151-T156 PolarHBondContact O-N 3.3Å; S151-V158 VanDerWaalsContact O-CG2 3.28Å; S151-V158 WeakPolarHBondContact O-CG2 3.17Å | ||
| 152 | A | 97.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 48 Ų | 48 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -26.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | C23 L24 R27 F33 N121 | C23-A152 HydrophobicContact CB-CB 3.61Å; L24-A152 HydrophobicContact CD2-CB 3.97Å; L24-A152 HydrophobicContact CG-CB 4.21Å; R27-A152 PolarHBondContact NE-O 2.97Å; F33-A152 HydrophobicContact CD2-CB 4.18Å; F33-A152 WeakPolarHBondContact CD2-O 3.36Å; F33-A152 HydrophobicContact CE2-CB 4.2Å; N121-A152 PolarHBondContact OD1-N 3.22Å |
| 153 | K | 96.4 | Very high | 97.6 | Very high | 96 Ų | 96 | 41.3 Ų | 41.3 | 42% | 0.417 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -57.1 | -175.7 | -176.3 | 177.8 | -176.1 | 176.8 | 0 | 111.2 | R27 F33 D124 S151 | R27-K153 PolarHBondContact NH2-O 3.04Å; F33-K153 HydrophobicContact CD1-CG 4.27Å; F33-K153 HydrophobicContact CE1-CB 4.03Å; F33-K153 HydrophobicContact CE1-CD 4.47Å; F33-K153 HydrophobicContact CE1-CG 3.74Å; F33-K153 HydrophobicContact CE2-CB 4.12Å; F33-K153 HydrophobicContact CZ-CB 3.82Å; F33-K153 HydrophobicContact CZ-CG 4.01Å; D124-K153 WeakPolarHBondContact OD2-CD 3.28Å; S151-K153 PolarHBondContact O-N 3.05Å; S151-K153 WeakPolarHBondContact OG-CB 3.47Å; S151-K153 PolarHBondContact OG-N 3.46Å; S151-K153 VanDerWaalsContact OG-N 3.13Å |
| 154 | D | 95.8 | Very high | 97.6 | Very high | 89 Ų | 89 | 43.2 Ų | 43.2 | 48% | 0.476 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 5.8 | -177.7 | 68.4 | 21.3 | 0 | 0 | 0 | 114 | S151 T156 | S151-D154 WeakPolarHBondContact CB-OD1 3.21Å; S151-D154 PolarHBondContact OG-N 2.69Å; S151-D154 PolarHBondContact OG-OD1 2.93Å; D154-T156 VanDerWaalsContact CG-OG1 3.3Å; D154-T156 PolarHBondContact O-N 3.16Å; D154-T156 WeakPolarHBondContact OD1-CB 3.24Å; D154-T156 PolarHBondContact OD1-N 3.36Å; D154-T156 PolarHBondContact OD1-OG1 3.23Å |
| 155 | A | 97.4 | Very high | 97.7 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 37% | 0.372 | 19% | 0.189 | S | C | . | . | trans | 69.4 | 6.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.8 | R27 S151 N157 V158 | R27-A155 HydrophobicContact CG-CB 4.09Å; S151-A155 CarbonylContact O-C 3.57Å; S151-A155 WeakPolarHBondContact O-CA 3.43Å; S151-A155 PolarHBondContact O-N 2.87Å; A155-N157 PolarHBondContact O-N 2.78Å; A155-N157 VanDerWaalsContact O-N 3.12Å; A155-V158 PolarHBondContact O-N 3.48Å | ||
| 156 | T | 98.5 | Very high | 97.7 | Very high | 57 Ų | 57 | 35.3 Ų | 35.3 | 35% | 0.35 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 121.9 | 177.8 | -63.6 | 0 | 0 | 0 | 0 | 110.7 | T150 S151 D154 V158 | T150-T156 CarbonylContact C-O 3.53Å; T150-T156 VanDerWaalsContact CA-O 3.26Å; T150-T156 WeakPolarHBondContact CA-O 3.49Å; S151-T156 PolarHBondContact N-O 2.85Å; S151-T156 PolarHBondContact O-N 3.3Å; D154-T156 VanDerWaalsContact CG-OG1 3.3Å; D154-T156 PolarHBondContact O-N 3.16Å; D154-T156 WeakPolarHBondContact OD1-CB 3.24Å; D154-T156 PolarHBondContact OD1-N 3.36Å; D154-T156 PolarHBondContact OD1-OG1 3.23Å; T156-V158 PolarHBondContact O-N 2.87Å |
| 157 | N | 98.4 | Very high | 97.6 | Very high | 60 Ų | 60 | 37.5 Ų | 37.5 | 32% | 0.321 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 10.1 | 177.2 | -73.4 | -31.6 | 0 | 0 | 0 | 116.8 | I148 E149 T150 A155 N160 A161 | I148-N157 HydrophobicContact CD1-CB 3.75Å; I148-N157 HydrophobicContact CG1-CB 4.01Å; E149-N157 WeakPolarHBondContact O-CB 3.42Å; E149-N157 PolarHBondContact O-ND2 2.9Å; T150-N157 HydrophobicContact CG2-CB 4.01Å; A155-N157 PolarHBondContact O-N 2.78Å; A155-N157 VanDerWaalsContact O-N 3.12Å; N157-N160 HydrophobicContact CB-CB 4.47Å; N157-N160 PolarHBondContact O-N 2.85Å; N157-N160 PolarHBondContact OD1-ND2 2.92Å; N157-A161 WeakPolarHBondContact O-CB 3.32Å; N157-A161 PolarHBondContact O-N 3.35Å |
| 158 | V | 98.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.024 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.1 | -52 | -178.2 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | L24 R27 F28 S151 A155 T156 N160 A161 F162 | L24-V158 HydrophobicContact CD2-CG1 4.24Å; L24-V158 HydrophobicContact CD2-CG2 3.72Å; R27-V158 HydrophobicContact CB-CG1 4.16Å; R27-V158 HydrophobicContact CG-CB 4.08Å; R27-V158 HydrophobicContact CG-CG1 3.87Å; R27-V158 HydrophobicContact CG-CG2 3.92Å; F28-V158 HydrophobicContact CB-CG1 3.94Å; S151-V158 VanDerWaalsContact O-CG2 3.28Å; S151-V158 WeakPolarHBondContact O-CG2 3.17Å; A155-V158 PolarHBondContact O-N 3.48Å; T156-V158 PolarHBondContact O-N 2.87Å; V158-N160 VanDerWaalsContact C-N 3.32Å; V158-N160 PolarHBondContact O-N 2.87Å; V158-A161 PolarHBondContact O-N 3.29Å; V158-F162 HydrophobicContact CG1-CD2 4.4Å; V158-F162 HydrophobicContact CG1-CE2 4.16Å; V158-F162 VanDerWaalsContact O-CD2 3.31Å; V158-F162 WeakPolarHBondContact O-CD2 3.45Å |
| 159 | E | 97.1 | Very high | 97.2 | Very high | 69 Ų | 69 | 38.7 Ų | 38.7 | 32% | 0.322 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -55.4 | -49.2 | 175 | -166 | 75 | -177.5 | 0 | 0 | 111 | F28 R48 A161 F162 L163 | F28-E159 WeakPolarHBondContact CD2-OE2 3.41Å; F28-E159 WeakPolarHBondContact CE2-OE2 3.3Å; R48-E159 IonicContact CZ-OE1 2.69Å; R48-E159 IonicContact CZ-OE2 2.64Å; R48-E159 IonicContact NH1-OE1 3.22Å; R48-E159 PolarHBondContact NH1-OE1 2.55Å; R48-E159 IonicContact NH1-OE2 3.04Å; R48-E159 PolarHBondContact NH1-OE2 3.35Å; R48-E159 IonicContact NH2-OE1 3.42Å; R48-E159 PolarHBondContact NH2-OE1 2.83Å; R48-E159 IonicContact NH2-OE2 2.89Å; R48-E159 PolarHBondContact NH2-OE2 2.88Å; E159-A161 VanDerWaalsContact C-N 3.26Å; E159-A161 PolarHBondContact O-N 2.8Å; E159-F162 PolarHBondContact O-N 3.42Å; E159-L163 HydrophobicContact CG-CD1 3.89Å; E159-L163 HydrophobicContact CG-CG 4.25Å; E159-L163 WeakPolarHBondContact O-CG 3.42Å; E159-L163 PolarHBondContact O-N 2.79Å |
| 160 | N | 97.8 | Very high | 96.8 | Very high | 84 Ų | 84 | 38.9 Ų | 38.9 | 45% | 0.449 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.4 | -35.9 | -178.6 | -66.1 | -21.4 | 0 | 0 | 0 | 112.6 | I148 N157 V158 K164 | I148-N160 HydrophobicContact CD1-CB 3.83Å; N157-N160 HydrophobicContact CB-CB 4.47Å; N157-N160 PolarHBondContact O-N 2.85Å; N157-N160 PolarHBondContact OD1-ND2 2.92Å; V158-N160 VanDerWaalsContact C-N 3.32Å; V158-N160 PolarHBondContact O-N 2.87Å; N160-K164 WeakPolarHBondContact O-CB 3.45Å; N160-K164 PolarHBondContact O-N 2.86Å |
| 161 | A | 98.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 3% | 0.033 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.6 | -45.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L117 V119 I148 T150 N157 V158 E159 M165 | L117-A161 HydrophobicContact CD2-CB 4.24Å; L117-A161 WeakPolarHBondContact CD2-O 3.31Å; V119-A161 HydrophobicContact CG2-CB 4.44Å; I148-A161 HydrophobicContact CG2-CB 3.83Å; T150-A161 HydrophobicContact CG2-CB 3.97Å; N157-A161 WeakPolarHBondContact O-CB 3.32Å; N157-A161 PolarHBondContact O-N 3.35Å; V158-A161 PolarHBondContact O-N 3.29Å; E159-A161 VanDerWaalsContact C-N 3.26Å; E159-A161 PolarHBondContact O-N 2.8Å; A161-M165 PolarHBondContact O-N 3.46Å; A161-M165 VanDerWaalsContact O-N 3.14Å |
| 162 | F | 97.9 | Very high | 95.7 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.3 | -39.6 | 179 | -71.5 | -81.2 | 0 | 0 | 0 | 112.3 | L11 L13 F28 I61 I85 V158 E159 M165 A166 | L11-F162 HydrophobicContact CD1-CD1 4.03Å; L13-F162 HydrophobicContact CD1-CZ 4.39Å; L13-F162 HydrophobicContact CD2-CE1 3.99Å; L13-F162 HydrophobicContact CD2-CZ 4.19Å; F28-F162 HydrophobicContact CB-CD2 3.65Å; F28-F162 HydrophobicContact CB-CE2 3.44Å; F28-F162 VanDerWaalsContact CB-CE2 3.44Å; F28-F162 HydrophobicContact CB-CZ 4.16Å; F28-F162 HydrophobicContact CD1-CB 4.38Å; F28-F162 HydrophobicContact CD1-CD1 4.13Å; F28-F162 AromaticContact CD1-CD2 3.83Å; F28-F162 HydrophobicContact CD1-CD2 3.83Å; F28-F162 HydrophobicContact CD1-CE1 4.38Å; F28-F162 HydrophobicContact CD1-CE2 4.1Å; F28-F162 AromaticContact CD1-CG 3.85Å; F28-F162 HydrophobicContact CD1-CG 3.85Å; F28-F162 HydrophobicContact CD1-CZ 4.36Å; F28-F162 HydrophobicContact CD2-CB 3.85Å; F28-F162 AromaticContact CD2-CD2 3.33Å; F28-F162 HydrophobicContact CD2-CD2 3.33Å; F28-F162 HydrophobicContact CD2-CE2 4.08Å; F28-F162 AromaticContact CD2-CG 3.76Å; F28-F162 HydrophobicContact CD2-CG 3.76Å; F28-F162 HydrophobicContact CE1-CB 4Å; F28-F162 HydrophobicContact CE1-CD1 4.19Å; F28-F162 HydrophobicContact CE1-CD2 4.31Å; F28-F162 AromaticContact CE1-CG 3.92Å; F28-F162 HydrophobicContact CE1-CG 3.92Å; F28-F162 HydrophobicContact CE2-CB 3.43Å; F28-F162 VanDerWaalsContact CE2-CB 3.43Å; F28-F162 AromaticContact CE2-CD2 3.89Å; F28-F162 HydrophobicContact CE2-CD2 3.89Å; F28-F162 AromaticContact CE2-CG 3.84Å; F28-F162 HydrophobicContact CE2-CG 3.84Å; F28-F162 HydrophobicContact CG-CB 4.32Å; F28-F162 HydrophobicContact CG-CD1 4.44Å; F28-F162 AromaticContact CG-CD2 3.3Å; F28-F162 HydrophobicContact CG-CD2 3.3Å; F28-F162 AromaticContact CG-CE2 3.62Å; F28-F162 HydrophobicContact CG-CE2 3.62Å; F28-F162 AromaticContact CG-CG 3.78Å; F28-F162 HydrophobicContact CG-CG 3.78Å; F28-F162 HydrophobicContact CG-CZ 4.3Å; F28-F162 HydrophobicContact CZ-CB 3.52Å; F28-F162 HydrophobicContact CZ-CD2 4.35Å; F28-F162 AromaticContact CZ-CG 3.92Å; F28-F162 HydrophobicContact CZ-CG 3.92Å; I61-F162 HydrophobicContact CD1-CD1 3.84Å; I61-F162 HydrophobicContact CD1-CE1 3.76Å; I61-F162 HydrophobicContact CG1-CE1 4.44Å; I61-F162 HydrophobicContact CG2-CE1 4.01Å; I85-F162 HydrophobicContact CD1-CD1 3.92Å; I85-F162 HydrophobicContact CD1-CE1 3.91Å; V158-F162 HydrophobicContact CG1-CD2 4.4Å; V158-F162 HydrophobicContact CG1-CE2 4.16Å; V158-F162 VanDerWaalsContact O-CD2 3.31Å; V158-F162 WeakPolarHBondContact O-CD2 3.45Å; E159-F162 PolarHBondContact O-N 3.42Å; F162-M165 PolarHBondContact O-N 2.64Å; F162-A166 PolarHBondContact O-N 3.15Å |
| 163 | L | 97 | Very high | 94.9 | Very high | 39 Ų | 39 | 52.1 Ų | 52.1 | 20% | 0.204 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.6 | -48.2 | 174.2 | -65.7 | -178.6 | 0 | 0 | 0 | 111.4 | I50 L52 E159 M165 A166 E167 | I50-L163 HydrophobicContact CB-CD2 4.32Å; I50-L163 HydrophobicContact CD1-CD2 3.51Å; I50-L163 HydrophobicContact CG1-CD2 4.47Å; I50-L163 HydrophobicContact CG2-CD2 4.41Å; L52-L163 HydrophobicContact CD1-CD2 4.43Å; E159-L163 HydrophobicContact CG-CD1 3.89Å; E159-L163 HydrophobicContact CG-CG 4.25Å; E159-L163 WeakPolarHBondContact O-CG 3.42Å; E159-L163 PolarHBondContact O-N 2.79Å; L163-M165 PolarHBondContact O-N 2.8Å; L163-A166 WeakPolarHBondContact O-CB 3.48Å; L163-A166 PolarHBondContact O-N 3.31Å; L163-E167 WeakPolarHBondContact O-CG 3.21Å; L163-E167 PolarHBondContact O-N 2.88Å |
| 164 | K | 96.8 | Very high | 93.3 | Very high | 75 Ų | 75 | 52 Ų | 52 | 33% | 0.326 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.8 | -37.3 | 177 | -174.8 | 173.9 | -168.8 | 172.4 | 0 | 112.4 | L117 F147 N160 K168 | L117-K164 HydrophobicContact CD1-CD 4.27Å; F147-K164 PolarHBondContact O-NZ 3.45Å; N160-K164 WeakPolarHBondContact O-CB 3.45Å; N160-K164 PolarHBondContact O-N 2.86Å; K164-K168 WeakPolarHBondContact O-CB 3.26Å; K164-K168 PolarHBondContact O-N 3.43Å |
| 165 | M | 97.5 | Very high | 91.2 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.8 | -46.6 | 173.3 | 177.1 | 56.1 | 82.4 | 0 | 0 | 111.5 | L11 G83 I84 I85 L117 A161 F162 L163 E167 K168 I169 | L11-M165 HydrophobicContact CD1-CG 4.15Å; L11-M165 HydrophobicContact CD2-CG 3.6Å; G83-M165 VanDerWaalsContact CA-SD 3.55Å; I84-M165 WeakPolarHBondContact O-CE 3.48Å; I85-M165 HydrophobicContact CD1-CB 4.27Å; I85-M165 HydrophobicContact CD1-CG 4.39Å; I85-M165 HydrophobicContact CG1-CB 4.49Å; I85-M165 HydrophobicContact CG1-CE 3.62Å; I85-M165 HydrophobicContact CG1-CG 4.28Å; L117-M165 HydrophobicContact CB-CE 3.37Å; L117-M165 HydrophobicContact CD2-CB 4.29Å; A161-M165 PolarHBondContact O-N 3.46Å; A161-M165 VanDerWaalsContact O-N 3.14Å; F162-M165 PolarHBondContact O-N 2.64Å; L163-M165 PolarHBondContact O-N 2.8Å; M165-E167 PolarHBondContact O-N 3.26Å; M165-K168 PolarHBondContact O-N 3.37Å; M165-I169 HydrophobicContact CG-CD1 3.99Å; M165-I169 VanDerWaalsContact O-CG1 3.28Å; M165-I169 WeakPolarHBondContact O-CG1 3.38Å; M165-I169 PolarHBondContact O-N 2.88Å; M165-I169 HydrophobicContact SD-CD1 4.02Å; M165-I169 HydrophobicContact SD-CG1 4.09Å |
| 166 | A | 96.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | L9 I50 L52 L59 F162 L163 K168 I169 Q170 | L9-A166 HydrophobicContact CD1-CB 3.99Å; I50-A166 HydrophobicContact CD1-CB 4.05Å; L52-A166 HydrophobicContact CD2-CB 3.78Å; L59-A166 HydrophobicContact CD2-CB 4.11Å; F162-A166 PolarHBondContact O-N 3.15Å; L163-A166 WeakPolarHBondContact O-CB 3.48Å; L163-A166 PolarHBondContact O-N 3.31Å; A166-K168 VanDerWaalsContact C-N 3.35Å; A166-K168 PolarHBondContact O-N 2.92Å; A166-I169 PolarHBondContact O-N 3.32Å; A166-Q170 PolarHBondContact O-N 3.44Å; A166-Q170 VanDerWaalsContact O-N 3.07Å |
| 167 | E | 95 | Very high | 85.8 | Confident | 77 Ų | 77 | 60.9 Ų | 60.9 | 36% | 0.36 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.1 | -48.1 | 172.5 | -71.5 | 172.5 | 173.6 | 0 | 0 | 110.9 | L52 L163 M165 I169 Q170 E171 | L52-E167 HydrophobicContact CD1-CG 3.53Å; L52-E167 HydrophobicContact CD2-CG 4.01Å; L52-E167 HydrophobicContact CG-CG 4.18Å; L163-E167 WeakPolarHBondContact O-CG 3.21Å; L163-E167 PolarHBondContact O-N 2.88Å; M165-E167 PolarHBondContact O-N 3.26Å; E167-I169 VanDerWaalsContact C-N 3.28Å; E167-I169 PolarHBondContact O-N 3.33Å; E167-Q170 PolarHBondContact O-N 2.86Å; E167-E171 WeakPolarHBondContact O-CG 3.25Å; E167-E171 PolarHBondContact O-N 2.8Å |
| 168 | K | 94.3 | Very high | 83.1 | Confident | 67 Ų | 67 | 65.2 Ų | 65.2 | 29% | 0.291 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.5 | -38.1 | -178.5 | -169.6 | 65 | -168.4 | 164.1 | 0 | 112.8 | K164 M165 A166 E171 N172 | K164-K168 WeakPolarHBondContact O-CB 3.26Å; K164-K168 PolarHBondContact O-N 3.43Å; M165-K168 PolarHBondContact O-N 3.37Å; A166-K168 VanDerWaalsContact C-N 3.35Å; A166-K168 PolarHBondContact O-N 2.92Å; K168-E171 WeakPolarHBondContact CD-OE2 3.44Å; K168-E171 IonicContact NZ-OE2 3.67Å; K168-E171 PolarHBondContact NZ-OE2 2.76Å; K168-N172 WeakPolarHBondContact O-CB 3.34Å; K168-N172 VanDerWaalsContact O-CG 3.29Å; K168-N172 PolarHBondContact O-N 3.17Å; K168-N172 VanDerWaalsContact O-N 3.14Å; K168-N172 PolarHBondContact O-ND2 3.44Å |
| 169 | I | 94.9 | Very high | 80.6 | Confident | 9 Ų | 9 | 72.5 Ų | 72.5 | 5% | 0.046 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66 | -42.7 | 175.7 | -65 | 163.7 | 0 | 0 | 0 | 110.7 | L9 L11 Q82 M165 A166 E167 N172 A173 | L9-I169 HydrophobicContact CD1-CB 4.31Å; L9-I169 HydrophobicContact CD1-CD1 4.28Å; L9-I169 HydrophobicContact CD1-CG2 4.26Å; L9-I169 HydrophobicContact CD2-CG2 3.83Å; L11-I169 HydrophobicContact CD2-CD1 3.36Å; Q82-I169 HydrophobicContact CB-CD1 4.12Å; Q82-I169 HydrophobicContact CB-CG1 4.45Å; Q82-I169 HydrophobicContact CB-CG2 3.92Å; M165-I169 HydrophobicContact CG-CD1 3.99Å; M165-I169 VanDerWaalsContact O-CG1 3.28Å; M165-I169 WeakPolarHBondContact O-CG1 3.38Å; M165-I169 PolarHBondContact O-N 2.88Å; M165-I169 HydrophobicContact SD-CD1 4.02Å; M165-I169 HydrophobicContact SD-CG1 4.09Å; A166-I169 PolarHBondContact O-N 3.32Å; E167-I169 VanDerWaalsContact C-N 3.28Å; E167-I169 PolarHBondContact O-N 3.33Å; I169-N172 PolarHBondContact O-N 3.23Å; I169-A173 WeakPolarHBondContact O-CB 3.4Å; I169-A173 PolarHBondContact O-N 3.01Å |
| 170 | Q | 90.7 | Very high | 77.9 | Confident | 32 Ų | 32 | 77.6 Ų | 77.6 | 15% | 0.15 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 177.7 | -74.2 | -170.1 | -10.3 | 0 | 0 | 112.1 | L52 A166 E167 N172 A173 T174 | L52-Q170 HydrophobicContact CD2-CG 4.35Å; A166-Q170 PolarHBondContact O-N 3.44Å; A166-Q170 VanDerWaalsContact O-N 3.07Å; E167-Q170 PolarHBondContact O-N 2.86Å; Q170-N172 VanDerWaalsContact C-N 3.29Å; Q170-N172 PolarHBondContact O-N 2.88Å; Q170-A173 PolarHBondContact O-N 2.81Å; Q170-A173 VanDerWaalsContact O-N 3.16Å; Q170-T174 PolarHBondContact O-N 3.31Å; Q170-T174 VanDerWaalsContact O-N 3.1Å; Q170-T174 PolarHBondContact O-OG1 2.94Å |
| 171 | E | 88.9 | Confident | 75 | Confident | 118 Ų | 118 | 78.6 Ų | 78.6 | 55% | 0.551 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -54.8 | -46.1 | 173.8 | -72.4 | 176.1 | -179 | 0 | 0 | 111.6 | E167 K168 A173 T174 | E167-E171 WeakPolarHBondContact O-CG 3.25Å; E167-E171 PolarHBondContact O-N 2.8Å; K168-E171 WeakPolarHBondContact CD-OE2 3.44Å; K168-E171 IonicContact NZ-OE2 3.67Å; K168-E171 PolarHBondContact NZ-OE2 2.76Å; E171-A173 VanDerWaalsContact C-N 3.33Å; E171-A173 PolarHBondContact O-N 2.83Å; E171-T174 PolarHBondContact O-N 3.05Å |
| 172 | N | 85.5 | Confident | 72.2 | Confident | 91 Ų | 91 | 83.2 Ų | 83.2 | 49% | 0.487 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -73.1 | -24.3 | -178.9 | -71.4 | -20.4 | 0 | 0 | 0 | 113.1 | S115 K168 I169 Q170 | S115-N172 PolarHBondContact OG-ND2 3.45Å; K168-N172 WeakPolarHBondContact O-CB 3.34Å; K168-N172 VanDerWaalsContact O-CG 3.29Å; K168-N172 PolarHBondContact O-N 3.17Å; K168-N172 VanDerWaalsContact O-N 3.14Å; K168-N172 PolarHBondContact O-ND2 3.44Å; I169-N172 PolarHBondContact O-N 3.23Å; Q170-N172 VanDerWaalsContact C-N 3.29Å; Q170-N172 PolarHBondContact O-N 2.88Å |
| 173 | A | 80 | Confident | 69.5 | Low | 73 Ų | 73 | 89.4 Ų | 89.4 | 60% | 0.603 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -83.3 | -20.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I169 Q170 E171 P175 | I169-A173 WeakPolarHBondContact O-CB 3.4Å; I169-A173 PolarHBondContact O-N 3.01Å; Q170-A173 PolarHBondContact O-N 2.81Å; Q170-A173 VanDerWaalsContact O-N 3.16Å; E171-A173 VanDerWaalsContact C-N 3.33Å; E171-A173 PolarHBondContact O-N 2.83Å; A173-P175 VanDerWaalsContact O-CD 3.31Å; A173-P175 WeakPolarHBondContact O-CD 3.45Å |
| 174 | T | 63.3 | Low | 67.1 | Low | 94 Ų | 94 | 93 Ų | 93 | 58% | 0.577 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -85.4 | 113 | -179.6 | -38.3 | 0 | 0 | 0 | 0 | 108.5 | Q170 E171 V176 | Q170-T174 PolarHBondContact O-N 3.31Å; Q170-T174 VanDerWaalsContact O-N 3.1Å; Q170-T174 PolarHBondContact O-OG1 2.94Å; E171-T174 PolarHBondContact O-N 3.05Å; T174-V176 PolarHBondContact O-N 2.64Å |
| 175 | P | 50.2 | Low | 64.4 | Low | 95 Ų | 95 | 95.5 Ų | 95.5 | 62% | 0.617 | 55% | 0.545 | S | S | * | . | trans | -58.2 | 137.3 | 172.2 | -17.1 | 30.2 | 0 | 0 | 0 | 108.4 | A173 Q177 | A173-P175 VanDerWaalsContact O-CD 3.31Å; A173-P175 WeakPolarHBondContact O-CD 3.45Å; P175-Q177 VanDerWaalsContact C-N 3.27Å; P175-Q177 PolarHBondContact O-N 2.89Å | ||
| 176 | V | 45.1 | Very low | 61.9 | Low | 111 Ų | 111 | 102 Ų | 102 | 67% | 0.673 | 59% | 0.585 | S | S | * | * | trans | -53.4 | 87.8 | 176.7 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | T174 M179 | T174-V176 PolarHBondContact O-N 2.64Å; V176-M179 HydrophobicContact CG1-CB 3.96Å; V176-M179 HydrophobicContact CG1-CE 4.17Å; V176-M179 HydrophobicContact CG1-CG 3.59Å; V176-M179 HydrophobicContact CG1-SD 3.96Å | ||
| 177 | Q | 38.4 | Very low | 59.4 | Low | 170 Ų | 170 | 109.1 Ų | 109.1 | 79% | 0.794 | 62% | 0.623 | S | S | * | * | trans | -98.1 | -0.2 | 173.2 | -89.4 | 179.1 | -18.2 | 0 | 0 | 112.2 | P175 | P175-Q177 VanDerWaalsContact C-N 3.27Å; P175-Q177 PolarHBondContact O-N 2.89Å | ||
| 178 | N | 41 | Very low | 57 | Low | 151 Ų | 151 | 110.2 Ų | 110.2 | 81% | 0.807 | 64% | 0.639 | S | S | * | * | trans | -107.2 | 20 | -176.4 | -72.4 | -6 | 0 | 0 | 0 | 115.5 | ||||
| 179 | M | 45.2 | Very low | 54.6 | Low | 158 Ų | 158 | 113.3 Ų | 113.3 | 78% | 0.778 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -102 | 12.4 | 176.8 | -79.1 | -163.9 | -169.3 | 0 | 0 | 115.8 | V176 | V176-M179 HydrophobicContact CG1-CB 3.96Å; V176-M179 HydrophobicContact CG1-CE 4.17Å; V176-M179 HydrophobicContact CG1-CG 3.59Å; V176-M179 HydrophobicContact CG1-SD 3.96Å |
| 180 | L | 40.9 | Very low | 52.5 | Low | 175 Ų | 175 | 121.7 Ų | 121.7 | 92% | 0.916 | 70% | 0.703 | S | S | * | * | trans | -119.4 | 62.3 | 175.4 | -70.6 | 170.1 | 0 | 0 | 0 | 111.9 | ||||
| 181 | S | 36.3 | Very low | 50.1 | Low | 105 Ų | 105 | 126 Ų | 126 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | -153.6 | 66.8 | 166.6 | 44 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 182 | S | 41.3 | Very low | 48.2 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | -168.6 | 122.1 | 157.3 | 49.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 183 | T | 41.2 | Very low | 46.4 | Very low | 134 Ų | 134 | 132.6 Ų | 132.6 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | 68.7 | 125.6 | 147 | 60 | 0 | 0 | 0 | 0 | 117 | ||||
| 184 | V | 46.1 | Very low | 45.1 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 70% | 0.703 | 78% | 0.78 | S | S | * | * | cis | -164.5 | 145.1 | 37.3 | 179.1 | 0 | 0 | 0 | 0 | 108.3 | V186 | V184-V186 HydrophobicContact CG1-CG2 4.12Š| ||
| 185 | P | 39 | Very low | 44.5 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -92.5 | 129.1 | 167.6 | 33.7 | -25.8 | 0 | 0 | 0 | 111.1 | ||||
| 186 | V | 46 | Very low | 44.8 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | trans | -135.6 | 131.8 | 166.3 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | V184 | V184-V186 HydrophobicContact CG1-CG2 4.12Š| ||
| 187 | N | 43.5 | Very low | 45.2 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -87.9 | 164 | -167.3 | -143.8 | -0.8 | 0 | 0 | 0 | 112.1 | ||||
| 188 | S | 45.7 | Very low | 45.9 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | trans | 69 | 117 | 154.7 | 57.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 189 | T | 43.3 | Very low | 46.7 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 82% | 0.816 | 84% | 0.841 | S | S | * | * | -171.5 | 111 | 115.2 | 28.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 190 | Q | 49.9 | Very low | 46.7 | Very low | 185 Ų | 185 | 137.2 Ų | 137.2 | 86% | 0.864 | 84% | 0.844 | S | S | * | * | trans | 61.9 | 140 | 141.1 | -58.1 | -170.5 | 5.2 | 0 | 0 | 123.9 | ||||
| 191 | P | 40.8 | Very low | 47 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 80% | 0.799 | 84% | 0.84 | S | S | * | * | trans | -101 | 155.3 | -172.8 | 39.5 | -32.4 | 0 | 0 | 0 | 114.6 | ||||
| 192 | V | 50.2 | Low | 47.6 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 88% | 0.879 | 85% | 0.846 | S | S | * | * | trans | -109.5 | 122.8 | 171.4 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 193 | K | 47 | Very low | 48 | Very low | 201 Ų | 201 | 138.9 Ų | 138.9 | 87% | 0.874 | 85% | 0.854 | S | S | * | * | trans | -77.9 | 139.9 | 175 | -74.9 | 177.3 | 173.1 | 177.7 | 0 | 112.4 | ||||
| 194 | K | 52.3 | Low | 48.4 | Very low | 198 Ų | 198 | 139.3 Ų | 139.3 | 86% | 0.861 | 86% | 0.857 | S | S | * | * | trans | -150.3 | 100.4 | 150.4 | -79.1 | -170.7 | 178.1 | 179.3 | 0 | 107 | ||||
| 195 | S | 51.2 | Low | 48.6 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 80% | 0.804 | 87% | 0.867 | S | S | * | * | 76.5 | 114.1 | 81.6 | 70.9 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 196 | G | 55.6 | Low | 49.3 | Very low | 88 Ų | 88 | 141.9 Ų | 141.9 | 91% | 0.907 | 87% | 0.87 | S | S | * | * | trans | 102 | 126.3 | 163 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 197 | G | 53.5 | Low | 49.5 | Very low | 76 Ų | 76 | 142.1 Ų | 142.1 | 78% | 0.784 | 87% | 0.872 | S | S | * | * | cis | 152.6 | 112.7 | 6.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 198 | C | 53.3 | Low | 50 | Low | 132 Ų | 132 | 141.5 Ų | 141.5 | 89% | 0.892 | 88% | 0.879 | S | S | * | * | trans | 29 | 115.3 | 161.3 | -122.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 199 | C | 57.5 | Low | 50.4 | Low | 202 Ų | 202 | 145.3 Ų | 145.3 | 100% | 1.365 | 90% | 0.895 | S | S | * | * | -165.9 | 0 | 106.8 | -93.3 | 0 | 0 | 0 | 0 | 108.6 |
Retrieved 199 of 199 residues in 242 ms
(Link to these results)