| 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 | 33.7 | Very low | 44.7 | Very low | 233 Ų | 233 | 111.8 Ų | 111.8 | 100% | 1.148 | 65% | 0.654 | S | S | * | * | 0 | 121.7 | 0 | -65.4 | -143.4 | 174.6 | 0 | 0 | 107.6 | S3 | M1-S3 PolarHBondContact O-N 3.35Š| |||
| 2 | P | 34.1 | Very low | 47.8 | Very low | 127 Ų | 127 | 110.6 Ų | 110.6 | 83% | 0.825 | 65% | 0.648 | S | S | * | * | trans | -66 | 132.4 | 174.7 | 29 | -29.7 | 0 | 0 | 0 | 107.8 | S4 | P2-S4 PolarHBondContact O-N 3.27Š| ||
| 3 | S | 36.1 | Very low | 50.7 | Low | 118 Ų | 118 | 102.5 Ų | 102.5 | 83% | 0.825 | 60% | 0.602 | S | S | * | * | trans | -49.6 | 102 | 174.7 | 38 | 0 | 0 | 0 | 0 | 109.8 | M1 N5 | M1-S3 PolarHBondContact O-N 3.35Å; S3-N5 PolarHBondContact O-N 2.9Å | ||
| 4 | S | 35.4 | Very low | 53.3 | Low | 97 Ų | 97 | 99.2 Ų | 99.2 | 68% | 0.678 | 59% | 0.585 | S | S | * | * | trans | -58.7 | 101.1 | 176.1 | 52.8 | 0 | 0 | 0 | 0 | 110.2 | P2 C6 | P2-S4 PolarHBondContact O-N 3.27Å; S4-C6 VanDerWaalsContact C-N 3.32Å; S4-C6 PolarHBondContact O-N 2.92Å | ||
| 5 | N | 34.7 | Very low | 55.8 | Low | 141 Ų | 141 | 97.3 Ų | 97.3 | 75% | 0.754 | 57% | 0.57 | S | S | * | * | trans | 39.9 | 41.8 | 142.9 | -74.3 | -15.9 | 0 | 0 | 0 | 118.5 | S3 S7 | S3-N5 PolarHBondContact O-N 2.9Å; N5-S7 VanDerWaalsContact C-N 3.28Å; N5-S7 PolarHBondContact O-N 2.9Å | ||
| 6 | C | 36.5 | Very low | 58 | Low | 66 Ų | 66 | 100.1 Ų | 100.1 | 45% | 0.446 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -77.4 | -9.9 | 175.2 | -92.4 | 0 | 0 | 0 | 0 | 114.7 | S4 C8 R135 | S4-C6 VanDerWaalsContact C-N 3.32Å; S4-C6 PolarHBondContact O-N 2.92Å; C6-C8 PolarHBondContact O-N 3.05Å; C6-R135 PolarHBondContact SG-NH1 2.86Å; C6-R135 PolarHBondContact SG-NH2 3.23Å |
| 7 | S | 39.5 | Very low | 60.1 | Low | 119 Ų | 119 | 95.1 Ų | 95.1 | 83% | 0.832 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -75.2 | -4.6 | -178.1 | 49.2 | 0 | 0 | 0 | 0 | 114.5 | N5 | N5-S7 VanDerWaalsContact C-N 3.28Å; N5-S7 PolarHBondContact O-N 2.9Å |
| 8 | C | 47.1 | Very low | 62.1 | Low | 83 Ų | 83 | 90.7 Ų | 90.7 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -110.2 | 3.7 | -171.9 | -155 | 0 | 0 | 0 | 0 | 115.7 | C6 M10 | C6-C8 PolarHBondContact O-N 3.05Å; C8-M10 VanDerWaalsContact C-N 3.33Å; C8-M10 PolarHBondContact O-N 3.47Å |
| 9 | I | 57 | Low | 63.8 | Low | 50 Ų | 50 | 85.9 Ų | 85.9 | 26% | 0.256 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -66 | -35 | -170.1 | -59.5 | 175.8 | 0 | 0 | 0 | 112.2 | L120 | I9-L120 HydrophobicContact CB-CD2 4.32Å; I9-L120 HydrophobicContact CD1-CB 4.34Å; I9-L120 HydrophobicContact CG2-CB 4.45Å; I9-L120 HydrophobicContact CG2-CD2 3.68Å |
| 10 | M | 64.7 | Low | 65.4 | Low | 27 Ų | 27 | 81.8 Ų | 81.8 | 13% | 0.133 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -134.4 | 113.2 | 176.8 | -73.4 | -90.4 | -92 | 0 | 0 | 109.7 | C8 K88 L91 V118 L120 M137 V139 | C8-M10 VanDerWaalsContact C-N 3.33Å; C8-M10 PolarHBondContact O-N 3.47Å; M10-K88 HydrophobicContact SD-CG 3.59Å; M10-K88 VanDerWaalsContact SD-CG 3.59Å; M10-L91 HydrophobicContact CE-CD1 3.43Å; M10-L91 VanDerWaalsContact CE-CD1 3.43Å; M10-L91 HydrophobicContact CE-CG 3.9Å; M10-L91 HydrophobicContact SD-CD1 4.09Å; M10-V118 HydrophobicContact CE-CB 4.27Å; M10-V118 HydrophobicContact CE-CG1 4.23Å; M10-V118 HydrophobicContact CE-CG2 3.71Å; M10-L120 HydrophobicContact CG-CD2 4.19Å; M10-M137 HydrophobicContact CB-CE 3.63Å; M10-M137 HydrophobicContact CB-SD 4.2Å; M10-M137 HydrophobicContact CE-CE 3.1Å; M10-M137 HydrophobicContact CG-CE 3.59Å; M10-M137 HydrophobicContact CG-SD 4.49Å; M10-M137 HydrophobicContact SD-CE 4.18Å; M10-V139 HydrophobicContact CE-CG1 4.07Å |
| 11 | K | 73.1 | Confident | 66.9 | Low | 169 Ų | 169 | 77.9 Ų | 77.9 | 74% | 0.735 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 141.9 | 172 | -68 | -174.2 | 178 | -176.4 | 0 | 109.7 | ||
| 12 | V | 81.3 | Confident | 69.8 | Low | 97 Ų | 97 | 67 Ų | 67 | 59% | 0.588 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 131.6 | 167.9 | 172.4 | 0 | 0 | 0 | 0 | 108.6 | W173 | V12-W173 HydrophobicContact CB-CZ2 4.36Å; V12-W173 HydrophobicContact CG1-CH2 3.56Å; V12-W173 HydrophobicContact CG1-CZ2 3.49Å; V12-W173 VanDerWaalsContact CG1-CZ2 3.49Å; V12-W173 HydrophobicContact CG1-CZ3 4.17Å; V12-W173 HydrophobicContact CG2-CZ2 4.06Å |
| 13 | P | 86.3 | Confident | 72.6 | Confident | 6 Ų | 6 | 63.9 Ų | 63.9 | 4% | 0.039 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 146.6 | 173.9 | 29.8 | -35 | 0 | 0 | 0 | 109.4 | L15 L91 W173 Q175 | P13-L15 PolarHBondContact O-N 3.19Å; P13-L91 WeakPolarHBondContact CB-O 3.46Å; P13-L91 HydrophobicContact CG-CB 4.41Å; P13-L91 WeakPolarHBondContact CG-O 3.38Å; P13-W173 HydrophobicContact CG-CB 3.69Å; P13-W173 HydrophobicContact CG-CD2 3.89Å; P13-W173 HydrophobicContact CG-CE3 4.4Å; P13-W173 HydrophobicContact CG-CG 3.57Å; P13-Q175 HydrophobicContact CB-CG 4.38Å; P13-Q175 HydrophobicContact CG-CG 4.42Å |
| 14 | P | 87.1 | Confident | 75.3 | Confident | 56 Ų | 56 | 62.4 Ų | 62.4 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 140.4 | 172.1 | 29.6 | -34.4 | 0 | 0 | 0 | 109.2 | Y16 R92 Q175 | P14-Y16 PolarHBondContact O-N 2.94Å; P14-R92 VanDerWaalsContact CD-NH1 3.27Å; P14-R92 VanDerWaalsContact CG-NH2 3.32Å; P14-Q175 PolarHBondContact O-NE2 2.94Å; P14-Q175 VanDerWaalsContact O-NE2 3.09Å; P14-Q175 PolarHBondContact O-OE1 3.23Å |
| 15 | L | 89.9 | Confident | 78 | Confident | 71 Ų | 71 | 61.8 Ų | 61.8 | 37% | 0.372 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -69.2 | -10.5 | 177.7 | -72.9 | 177.5 | 0 | 0 | 0 | 113.1 | P13 S66 G67 W173 | P13-L15 PolarHBondContact O-N 3.19Å; L15-S66 CarbonylContact O-C 3.58Å; L15-G67 WeakPolarHBondContact O-CA 3.4Å; L15-G67 PolarHBondContact O-N 3.28Å; L15-W173 HydrophobicContact CD2-CE3 4.06Å; L15-W173 HydrophobicContact CD2-CZ3 3.67Å |
| 16 | Y | 92.2 | Very high | 80.8 | Confident | 142 Ų | 142 | 56.2 Ų | 56.2 | 56% | 0.557 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 132.8 | 179.6 | -53.8 | -80.4 | 0 | 0 | 0 | 110 | P14 V64 I65 S66 | P14-Y16 PolarHBondContact O-N 2.94Å; Y16-V64 HydrophobicContact CD1-CG1 3.81Å; Y16-V64 HydrophobicContact CG-CG1 4.27Å; Y16-I65 WeakPolarHBondContact CA-O 3.37Å; Y16-S66 WeakPolarHBondContact CE1-OG 3.42Å |
| 17 | S | 93.4 | Very high | 83.7 | Confident | 14 Ų | 14 | 56.6 Ų | 56.6 | 10% | 0.098 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 141.8 | 166.7 | -67.4 | 0 | 0 | 0 | 0 | 109.2 | I65 Q175 | S17-I65 PolarHBondContact N-O 3.45Å; S17-I65 PolarHBondContact O-N 3.3Å; S17-Q175 PolarHBondContact OG-OE1 3.2Å |
| 18 | T | 94.9 | Very high | 86.4 | Confident | 17 Ų | 17 | 52.4 Ų | 52.4 | 10% | 0.104 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 135.6 | -177.4 | 26.6 | 0 | 0 | 0 | 0 | 110.4 | V62 L63 V64 Q189 L191 | T18-V62 HydrophobicContact CG2-CG1 3.92Å; T18-L63 WeakPolarHBondContact CA-O 3.4Å; T18-V64 HydrophobicContact CG2-CG2 4.24Å; T18-Q189 WeakPolarHBondContact CB-O 3.42Å; T18-Q189 PolarHBondContact O-N 3.08Å; T18-Q189 VanDerWaalsContact O-N 3.11Å; T18-Q189 VanDerWaalsContact O-O 3.13Å; T18-Q189 PolarHBondContact OG1-O 2.71Å; T18-L191 HydrophobicContact CG2-CB 4.25Å; T18-L191 HydrophobicContact CG2-CD1 4.49Å; T18-L191 PolarHBondContact OG1-N 3.3Å |
| 19 | I | 95.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 124.6 | 173.4 | -64.5 | 170.7 | 0 | 0 | 0 | 106.9 | M35 V62 L63 I65 L178 I182 W185 | I19-M35 HydrophobicContact CD1-CE 4.36Å; I19-M35 HydrophobicContact CD1-CG 4.14Å; I19-M35 HydrophobicContact CD1-SD 3.43Å; I19-M35 WeakPolarHBondContact CD1-SD 3.38Å; I19-V62 WeakPolarHBondContact O-CA 3.41Å; I19-L63 HydrophobicContact CB-CB 4.34Å; I19-L63 PolarHBondContact N-O 3.44Å; I19-L63 PolarHBondContact O-N 3.45Å; I19-I65 HydrophobicContact CD1-CD1 3.42Å; I19-I65 VanDerWaalsContact CD1-CD1 3.42Å; I19-I65 HydrophobicContact CD1-CG1 4.39Å; I19-I65 HydrophobicContact CG1-CD1 4.23Å; I19-L178 HydrophobicContact CD1-CD1 4.36Å; I19-L178 HydrophobicContact CD1-CD2 4.11Å; I19-L178 HydrophobicContact CG1-CD1 4Å; I19-I182 HydrophobicContact CB-CD1 4.24Å; I19-I182 HydrophobicContact CD1-CD1 3.64Å; I19-I182 HydrophobicContact CG1-CD1 3.72Å; I19-I182 HydrophobicContact CG2-CD1 3.52Å; I19-W185 HydrophobicContact CG2-CZ3 4.21Å |
| 20 | R | 95.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 121.3 | 163.5 | -179.5 | -179.3 | 56.8 | 99.9 | -4.7 | 108.8 | D61 G186 F187 I194 G217 T220 H221 | R20-D61 CarbonylContact C-O 3.59Å; R20-D61 WeakPolarHBondContact CA-O 3.35Å; R20-G186 CarbonylContact O-C 3.39Å; R20-G186 VanDerWaalsContact O-CA 3.24Å; R20-G186 WeakPolarHBondContact O-CA 3.46Å; R20-F187 PolarHBondContact N-O 3.27Å; R20-F187 PolarHBondContact O-N 3.06Å; R20-I194 HydrophobicContact CB-CD1 3.94Å; R20-I194 HydrophobicContact CB-CG1 4.16Å; R20-I194 HydrophobicContact CG-CG2 4.47Å; R20-G217 PolarHBondContact NH2-O 3Å; R20-G217 VanDerWaalsContact NH2-O 3.1Å; R20-T220 PolarHBondContact NH1-O 3.37Å; R20-T220 VanDerWaalsContact NH1-O 3.07Å; R20-T220 PolarHBondContact NH2-OG1 2.9Å; R20-H221 WeakPolarHBondContact CD-CD2 3.48Å |
| 21 | V | 96.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 135.7 | 174.9 | -178.4 | 0 | 0 | 0 | 0 | 109 | T23 M28 A31 D61 L63 W185 | V21-T23 HydrophobicContact CG1-CG2 4.41Å; V21-T23 PolarHBondContact O-N 3.02Å; V21-M28 HydrophobicContact CB-SD 3.63Å; V21-M28 HydrophobicContact CG1-SD 3.96Å; V21-M28 HydrophobicContact CG2-CE 4.04Å; V21-M28 HydrophobicContact CG2-SD 3.61Å; V21-A31 HydrophobicContact CB-CB 4.41Å; V21-A31 HydrophobicContact CG1-CB 3.6Å; V21-A31 HydrophobicContact CG2-CB 3.85Å; V21-D61 PolarHBondContact N-O 2.9Å; V21-L63 HydrophobicContact CG2-CD1 3.9Å; V21-L63 HydrophobicContact CG2-CG 3.77Å; V21-W185 HydrophobicContact CG1-CE3 4.49Å; V21-W185 HydrophobicContact CG2-CZ3 4.28Å |
| 22 | H | 93.9 | Very high | 93.5 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 2% | 0.023 | 25% | 0.253 | C | S | . | . | trans | -85.7 | 90.6 | 171.8 | -172.9 | 54.9 | 0 | 0 | 0 | 109.4 | L24 K25 L26 W185 C224 L252 | H22-L24 PolarHBondContact O-N 2.98Å; H22-L24 VanDerWaalsContact O-N 3.14Å; H22-K25 PolarHBondContact O-N 3.32Å; H22-L26 PolarHBondContact O-N 2.88Å; H22-W185 VanDerWaalsContact CB-O 3.31Å; H22-W185 WeakPolarHBondContact CB-O 3.35Å; H22-W185 PolarHBondContact N-O 3.17Å; H22-C224 WeakPolarHBondContact ND1-CB 3.18Å; H22-C224 PolarHBondContact ND1-SG 3.27Å; H22-L252 HydrophobicContact CB-CD2 4.13Å | ||
| 23 | T | 94.3 | Very high | 94.3 | Very high | 62 Ų | 62 | 51.3 Ų | 51.3 | 38% | 0.38 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -14.2 | -169.8 | 50.2 | 0 | 0 | 0 | 0 | 114.7 | V21 K25 L26 M28 D61 | V21-T23 HydrophobicContact CG1-CG2 4.41Å; V21-T23 PolarHBondContact O-N 3.02Å; T23-K25 VanDerWaalsContact C-N 3.28Å; T23-L26 WeakPolarHBondContact CA-O 3.33Å; T23-M28 HydrophobicContact CG2-SD 4.41Å; T23-D61 HydrophobicContact CG2-CB 3.9Å |
| 24 | L | 93.3 | Very high | 94.8 | Very high | 87 Ų | 87 | 55.2 Ų | 55.2 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -19.4 | 170.7 | -59 | -179.7 | 0 | 0 | 0 | 113.3 | H22 D228 | H22-L24 PolarHBondContact O-N 2.98Å; H22-L24 VanDerWaalsContact O-N 3.14Å; L24-D228 HydrophobicContact CD1-CB 4.05Å |
| 25 | K | 91.3 | Very high | 95.2 | Very high | 83 Ų | 83 | 52.5 Ų | 52.5 | 36% | 0.361 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -34.3 | 178.5 | -80.5 | -170.9 | 178.2 | -166.9 | 0 | 114 | H22 T23 D184 K251 L252 S253 | H22-K25 PolarHBondContact O-N 3.32Å; T23-K25 VanDerWaalsContact C-N 3.28Å; K25-D184 WeakPolarHBondContact CD-O 3.45Å; K25-K251 PolarHBondContact NZ-O 3.46Å; K25-L252 VanDerWaalsContact CE-C 3.5Å; K25-L252 WeakPolarHBondContact CE-O 3.4Å; K25-L252 VanDerWaalsContact NZ-C 3.32Å; K25-L252 PolarHBondContact NZ-O 2.92Å; K25-S253 PolarHBondContact NZ-OG 2.98Å |
| 26 | L | 94 | Very high | 95.6 | Very high | 24 Ų | 24 | 52.8 Ų | 52.8 | 13% | 0.126 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -147.3 | 128.6 | -169.5 | -159.9 | 68 | 0 | 0 | 0 | 109.5 | H22 T23 E30 A31 W185 | H22-L26 PolarHBondContact O-N 2.88Å; T23-L26 WeakPolarHBondContact CA-O 3.33Å; L26-E30 HydrophobicContact CD1-CB 3.66Å; L26-E30 WeakPolarHBondContact CD1-OE2 3.43Å; L26-E30 HydrophobicContact CG-CB 3.81Å; L26-A31 VanDerWaalsContact CD2-CA 3.44Å; L26-A31 HydrophobicContact CD2-CB 3.76Å; L26-A31 HydrophobicContact CG-CB 4.19Å; L26-W185 HydrophobicContact CB-CB 4.27Å; L26-W185 HydrophobicContact CD2-CB 3.94Å; L26-W185 HydrophobicContact CD2-CD2 3.85Å; L26-W185 HydrophobicContact CD2-CE3 3.97Å; L26-W185 HydrophobicContact CD2-CG 3.85Å |
| 27 | N | 96 | Very high | 95.8 | Very high | 74 Ų | 74 | 51.2 Ų | 51.2 | 40% | 0.396 | 25% | 0.246 | S | C | . | . | trans | -72.9 | 162.1 | 174.1 | 71.8 | 58.9 | 0 | 0 | 0 | 110.8 | M29 E30 A31 | N27-M29 VanDerWaalsContact C-N 3.32Å; N27-M29 PolarHBondContact O-N 2.96Å; N27-M29 PolarHBondContact OD1-N 3.41Å; N27-M29 VanDerWaalsContact OD1-N 3.14Å; N27-E30 PolarHBondContact ND2-OE1 3.17Å; N27-E30 PolarHBondContact ND2-OE2 2.8Å; N27-E30 VanDerWaalsContact ND2-OE2 3.07Å; N27-E30 PolarHBondContact O-N 2.91Å; N27-E30 WeakPolarHBondContact OD1-CG 3.22Å; N27-E30 PolarHBondContact OD1-N 3.49Å; N27-A31 WeakPolarHBondContact O-CB 3.36Å; N27-A31 PolarHBondContact O-N 2.95Å | ||
| 28 | M | 97.3 | Very high | 95.9 | Very high | 31 Ų | 31 | 52.3 Ų | 52.3 | 15% | 0.153 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.9 | -36.2 | -173.7 | -72.5 | -58.9 | -68.7 | 0 | 0 | 113.9 | V21 T23 A31 K32 F55 K60 V62 L63 | V21-M28 HydrophobicContact CB-SD 3.63Å; V21-M28 HydrophobicContact CG1-SD 3.96Å; V21-M28 HydrophobicContact CG2-CE 4.04Å; V21-M28 HydrophobicContact CG2-SD 3.61Å; T23-M28 HydrophobicContact CG2-SD 4.41Å; M28-A31 PolarHBondContact O-N 2.73Å; M28-K32 WeakPolarHBondContact O-CB 3.35Å; M28-K32 PolarHBondContact O-N 2.88Å; M28-F55 HydrophobicContact CB-CD1 4.38Å; M28-F55 HydrophobicContact CB-CE1 3.92Å; M28-F55 HydrophobicContact CE-CD1 3.85Å; M28-F55 HydrophobicContact CE-CE1 4.27Å; M28-F55 WeakPolarHBondContact O-CE1 3.35Å; M28-K60 WeakPolarHBondContact CG-O 3.36Å; M28-K60 VanDerWaalsContact SD-O 3.39Å; M28-V62 WeakPolarHBondContact CE-O 3.4Å; M28-L63 HydrophobicContact CE-CD2 3.7Å; M28-L63 HydrophobicContact CE-CG 4Å |
| 29 | M | 97.8 | Very high | 95.9 | Very high | 129 Ų | 129 | 51.5 Ų | 51.5 | 64% | 0.635 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -67.1 | -45.1 | 179.5 | -68.8 | -63 | -67.8 | 0 | 0 | 111.1 | N27 K32 K33 F55 | N27-M29 VanDerWaalsContact C-N 3.32Å; N27-M29 PolarHBondContact O-N 2.96Å; N27-M29 PolarHBondContact OD1-N 3.41Å; N27-M29 VanDerWaalsContact OD1-N 3.14Å; M29-K32 PolarHBondContact O-N 2.81Å; M29-K33 PolarHBondContact O-N 3.1Å; M29-F55 HydrophobicContact SD-CE2 3.85Å; M29-F55 HydrophobicContact SD-CZ 3.48Å; M29-F55 WeakPolarHBondContact SD-CZ 3.49Å |
| 30 | E | 97.4 | Very high | 95.9 | Very high | 100 Ų | 100 | 53.8 Ų | 53.8 | 47% | 0.467 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 174.8 | -72.3 | 165.9 | -174.8 | 0 | 0 | 111.8 | L26 N27 K32 K33 R34 | L26-E30 HydrophobicContact CD1-CB 3.66Å; L26-E30 WeakPolarHBondContact CD1-OE2 3.43Å; L26-E30 HydrophobicContact CG-CB 3.81Å; N27-E30 PolarHBondContact ND2-OE1 3.17Å; N27-E30 PolarHBondContact ND2-OE2 2.8Å; N27-E30 VanDerWaalsContact ND2-OE2 3.07Å; N27-E30 PolarHBondContact O-N 2.91Å; N27-E30 WeakPolarHBondContact OD1-CG 3.22Å; N27-E30 PolarHBondContact OD1-N 3.49Å; E30-K32 PolarHBondContact O-N 3.2Å; E30-K33 PolarHBondContact O-N 2.85Å; E30-R34 VanDerWaalsContact O-CB 3.28Å; E30-R34 WeakPolarHBondContact O-CB 3.36Å; E30-R34 PolarHBondContact O-N 3.41Å |
| 31 | A | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V21 L26 N27 M28 M35 L63 W185 | V21-A31 HydrophobicContact CB-CB 4.41Å; V21-A31 HydrophobicContact CG1-CB 3.6Å; V21-A31 HydrophobicContact CG2-CB 3.85Å; L26-A31 VanDerWaalsContact CD2-CA 3.44Å; L26-A31 HydrophobicContact CD2-CB 3.76Å; L26-A31 HydrophobicContact CG-CB 4.19Å; N27-A31 WeakPolarHBondContact O-CB 3.36Å; N27-A31 PolarHBondContact O-N 2.95Å; M28-A31 PolarHBondContact O-N 2.73Å; A31-M35 WeakPolarHBondContact O-CB 3.49Å; A31-M35 PolarHBondContact O-N 3.16Å; A31-L63 HydrophobicContact CB-CD1 4.06Å; A31-W185 HydrophobicContact CB-CE3 4.04Å; A31-W185 HydrophobicContact CB-CZ3 3.85Å |
| 32 | K | 97.9 | Very high | 95.7 | Very high | 45 Ų | 45 | 62.9 Ų | 62.9 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.4 | -52.7 | 175.3 | 179.3 | 178.8 | 176.3 | -69.8 | 0 | 110.8 | M28 M29 E30 R34 M35 E36 V53 F55 L63 | M28-K32 WeakPolarHBondContact O-CB 3.35Å; M28-K32 PolarHBondContact O-N 2.88Å; M29-K32 PolarHBondContact O-N 2.81Å; E30-K32 PolarHBondContact O-N 3.2Å; K32-R34 PolarHBondContact O-N 2.8Å; K32-M35 WeakPolarHBondContact O-CB 3.48Å; K32-M35 PolarHBondContact O-N 2.92Å; K32-E36 IonicContact NZ-OE1 2.62Å; K32-E36 PolarHBondContact NZ-OE1 2.93Å; K32-E36 IonicContact NZ-OE2 2.85Å; K32-E36 PolarHBondContact NZ-OE2 3.36Å; K32-E36 WeakPolarHBondContact O-CG 3.33Å; K32-E36 PolarHBondContact O-N 2.82Å; K32-V53 WeakPolarHBondContact CE-O 3.32Å; K32-V53 HydrophobicContact CG-CB 4.4Å; K32-V53 HydrophobicContact CG-CG1 4.01Å; K32-F55 HydrophobicContact CB-CE1 3.85Å; K32-F55 HydrophobicContact CB-CZ 3.93Å; K32-F55 HydrophobicContact CD-CD2 4.49Å; K32-F55 HydrophobicContact CD-CE1 3.93Å; K32-F55 HydrophobicContact CD-CE2 3.75Å; K32-F55 HydrophobicContact CD-CZ 3.42Å; K32-F55 VanDerWaalsContact CD-CZ 3.42Å; K32-F55 HydrophobicContact CG-CE1 4.44Å; K32-F55 HydrophobicContact CG-CZ 4.28Å; K32-L63 HydrophobicContact CB-CD2 3.93Å |
| 33 | K | 98 | Very high | 95.7 | Very high | 130 Ų | 130 | 63.1 Ų | 63.1 | 57% | 0.565 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -57.5 | -47.6 | -179.8 | -177.4 | -177.5 | 175.7 | -173.5 | 0 | 111.8 | M29 E30 M35 E36 E37 | M29-K33 PolarHBondContact O-N 3.1Å; E30-K33 PolarHBondContact O-N 2.85Å; K33-M35 VanDerWaalsContact C-N 3.31Å; K33-M35 PolarHBondContact O-N 2.89Å; K33-E36 PolarHBondContact O-N 2.75Å; K33-E37 WeakPolarHBondContact CE-OE1 3.46Å; K33-E37 WeakPolarHBondContact O-CG 3.41Å; K33-E37 PolarHBondContact O-N 3.37Å |
| 34 | R | 96.7 | Very high | 95.8 | Very high | 87 Ų | 87 | 67.5 Ų | 67.5 | 33% | 0.328 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | 178.6 | -173.3 | 170.6 | -179.7 | -171.2 | -8.5 | 111.7 | E30 K32 E37 I38 D184 W185 | E30-R34 VanDerWaalsContact O-CB 3.28Å; E30-R34 WeakPolarHBondContact O-CB 3.36Å; E30-R34 PolarHBondContact O-N 3.41Å; K32-R34 PolarHBondContact O-N 2.8Å; R34-E37 PolarHBondContact O-N 2.77Å; R34-I38 HydrophobicContact CG-CD1 4.09Å; R34-I38 WeakPolarHBondContact O-CB 3.13Å; R34-I38 WeakPolarHBondContact O-CD1 3.4Å; R34-I38 VanDerWaalsContact O-CG1 3.22Å; R34-I38 WeakPolarHBondContact O-CG1 3.39Å; R34-I38 PolarHBondContact O-N 2.82Å; R34-D184 IonicContact CZ-OD2 2.72Å; R34-D184 VanDerWaalsContact CZ-OD2 3.24Å; R34-D184 IonicContact NH1-OD2 3.29Å; R34-D184 PolarHBondContact NH1-OD2 3.24Å; R34-D184 IonicContact NH2-OD1 3.24Å; R34-D184 PolarHBondContact NH2-OD1 3.22Å; R34-D184 IonicContact NH2-OD2 2.9Å; R34-D184 PolarHBondContact NH2-OD2 3.1Å; R34-W185 HydrophobicContact CG-CZ2 4.47Å |
| 35 | M | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 175.1 | -167.6 | 67 | -133.6 | 0 | 0 | 111.9 | I19 A31 K32 K33 E37 I38 L39 V53 L63 I65 L178 I182 W185 | I19-M35 HydrophobicContact CD1-CE 4.36Å; I19-M35 HydrophobicContact CD1-CG 4.14Å; I19-M35 HydrophobicContact CD1-SD 3.43Å; I19-M35 WeakPolarHBondContact CD1-SD 3.38Å; A31-M35 WeakPolarHBondContact O-CB 3.49Å; A31-M35 PolarHBondContact O-N 3.16Å; K32-M35 WeakPolarHBondContact O-CB 3.48Å; K32-M35 PolarHBondContact O-N 2.92Å; K33-M35 VanDerWaalsContact C-N 3.31Å; K33-M35 PolarHBondContact O-N 2.89Å; M35-E37 VanDerWaalsContact C-N 3.34Å; M35-E37 PolarHBondContact O-N 2.94Å; M35-I38 HydrophobicContact CE-CG2 4.12Å; M35-I38 PolarHBondContact O-N 3.46Å; M35-L39 HydrophobicContact CE-CD1 4.03Å; M35-L39 HydrophobicContact CE-CD2 3.5Å; M35-L39 HydrophobicContact CE-CG 3.48Å; M35-L39 VanDerWaalsContact CE-CG 3.48Å; M35-L39 HydrophobicContact CG-CD1 4.31Å; M35-L39 HydrophobicContact CG-CG 4.47Å; M35-L39 WeakPolarHBondContact O-CG 3.02Å; M35-L39 PolarHBondContact O-N 2.94Å; M35-V53 HydrophobicContact CB-CG1 4.27Å; M35-V53 HydrophobicContact CB-CG2 4.33Å; M35-V53 HydrophobicContact CG-CG1 4.26Å; M35-V53 HydrophobicContact CG-CG2 3.96Å; M35-L63 HydrophobicContact CB-CD1 4.36Å; M35-I65 HydrophobicContact CE-CD1 3.92Å; M35-I65 HydrophobicContact CG-CD1 3.93Å; M35-I65 HydrophobicContact SD-CD1 4.1Å; M35-L178 HydrophobicContact CE-CD2 3.77Å; M35-I182 HydrophobicContact CE-CG2 4.49Å; M35-I182 HydrophobicContact SD-CG2 3.75Å; M35-W185 HydrophobicContact CB-CH2 4.01Å; M35-W185 HydrophobicContact CB-CZ2 4.46Å; M35-W185 HydrophobicContact CG-CH2 4.47Å; M35-W185 HydrophobicContact SD-CH2 3.94Å; M35-W185 HydrophobicContact SD-CZ2 4.16Å |
| 36 | E | 97.3 | Very high | 95.8 | Very high | 76 Ų | 76 | 64.7 Ų | 64.7 | 36% | 0.355 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 177.2 | -71.8 | 174.2 | 136.3 | 0 | 0 | 111.6 | K32 K33 L39 A40 V53 | K32-E36 IonicContact NZ-OE1 2.62Å; K32-E36 PolarHBondContact NZ-OE1 2.93Å; K32-E36 IonicContact NZ-OE2 2.85Å; K32-E36 PolarHBondContact NZ-OE2 3.36Å; K32-E36 WeakPolarHBondContact O-CG 3.33Å; K32-E36 PolarHBondContact O-N 2.82Å; K33-E36 PolarHBondContact O-N 2.75Å; E36-L39 PolarHBondContact O-N 3.07Å; E36-A40 VanDerWaalsContact O-CB 3.31Å; E36-A40 WeakPolarHBondContact O-CB 3.31Å; E36-A40 PolarHBondContact O-N 3.1Å; E36-V53 HydrophobicContact CG-CB 3.86Å; E36-V53 HydrophobicContact CG-CG2 3.7Å |
| 37 | E | 96.6 | Very high | 95.8 | Very high | 110 Ų | 110 | 69.4 Ų | 69.4 | 51% | 0.514 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 175 | -70.2 | 169.4 | -179.8 | 0 | 0 | 112.3 | K33 R34 M35 A40 K41 | K33-E37 WeakPolarHBondContact CE-OE1 3.46Å; K33-E37 WeakPolarHBondContact O-CG 3.41Å; K33-E37 PolarHBondContact O-N 3.37Å; R34-E37 PolarHBondContact O-N 2.77Å; M35-E37 VanDerWaalsContact C-N 3.34Å; M35-E37 PolarHBondContact O-N 2.94Å; E37-A40 PolarHBondContact O-N 3.41Å; E37-K41 PolarHBondContact O-N 3.08Å; E37-K41 VanDerWaalsContact O-N 3.1Å |
| 38 | I | 95.3 | Very high | 95.8 | Very high | 36 Ų | 36 | 67.2 Ų | 67.2 | 19% | 0.185 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.9 | -46 | 176.2 | -73.2 | 166.8 | 0 | 0 | 0 | 110.7 | R34 M35 A42 L181 I182 W185 | R34-I38 HydrophobicContact CG-CD1 4.09Å; R34-I38 WeakPolarHBondContact O-CB 3.13Å; R34-I38 WeakPolarHBondContact O-CD1 3.4Å; R34-I38 VanDerWaalsContact O-CG1 3.22Å; R34-I38 WeakPolarHBondContact O-CG1 3.39Å; R34-I38 PolarHBondContact O-N 2.82Å; M35-I38 HydrophobicContact CE-CG2 4.12Å; M35-I38 PolarHBondContact O-N 3.46Å; I38-A42 VanDerWaalsContact O-CB 3.32Å; I38-A42 WeakPolarHBondContact O-CB 3.38Å; I38-A42 PolarHBondContact O-N 3.15Å; I38-L181 HydrophobicContact CG2-CB 3.98Å; I38-L181 HydrophobicContact CG2-CD1 3.58Å; I38-L181 HydrophobicContact CG2-CG 4.28Å; I38-I182 HydrophobicContact CD1-CG2 4.26Å; I38-W185 HydrophobicContact CD1-CZ2 4.2Å |
| 39 | L | 95.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.4 | -45.1 | 179.3 | -69.9 | 178.2 | 0 | 0 | 0 | 111.4 | M35 E36 K41 A42 Y43 V50 P51 V53 I65 P176 | M35-L39 HydrophobicContact CE-CD1 4.03Å; M35-L39 HydrophobicContact CE-CD2 3.5Å; M35-L39 HydrophobicContact CE-CG 3.48Å; M35-L39 VanDerWaalsContact CE-CG 3.48Å; M35-L39 HydrophobicContact CG-CD1 4.31Å; M35-L39 HydrophobicContact CG-CG 4.47Å; M35-L39 WeakPolarHBondContact O-CG 3.02Å; M35-L39 PolarHBondContact O-N 2.94Å; E36-L39 PolarHBondContact O-N 3.07Å; L39-K41 VanDerWaalsContact C-N 3.31Å; L39-K41 PolarHBondContact O-N 3.16Å; L39-A42 PolarHBondContact O-N 3.09Å; L39-Y43 HydrophobicContact CD2-CE2 4.19Å; L39-Y43 WeakPolarHBondContact O-CB 3.45Å; L39-Y43 WeakPolarHBondContact O-CD2 3.48Å; L39-Y43 PolarHBondContact O-N 3.33Å; L39-V50 HydrophobicContact CB-CG1 3.72Å; L39-P51 HydrophobicContact CD1-CB 4.32Å; L39-V53 HydrophobicContact CD1-CG2 3.54Å; L39-I65 HydrophobicContact CD1-CD1 4.35Å; L39-I65 HydrophobicContact CD1-CG2 4.01Å; L39-P176 HydrophobicContact CD2-CB 3.58Å |
| 40 | A | 96 | Very high | 95.7 | Very high | 47 Ų | 47 | 70.4 Ų | 70.4 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -53.5 | -50.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | E36 E37 Y43 E44 | E36-A40 VanDerWaalsContact O-CB 3.31Å; E36-A40 WeakPolarHBondContact O-CB 3.31Å; E36-A40 PolarHBondContact O-N 3.1Å; E37-A40 PolarHBondContact O-N 3.41Å; A40-Y43 PolarHBondContact O-N 2.76Å; A40-E44 PolarHBondContact O-N 2.84Å |
| 41 | K | 94.8 | Very high | 95.6 | Very high | 153 Ų | 153 | 66 Ų | 66 | 67% | 0.665 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.4 | -44.2 | 177.4 | -174.3 | 174.7 | -176.6 | 173.7 | 0 | 113.1 | E37 L39 Y43 E44 | E37-K41 PolarHBondContact O-N 3.08Å; E37-K41 VanDerWaalsContact O-N 3.1Å; L39-K41 VanDerWaalsContact C-N 3.31Å; L39-K41 PolarHBondContact O-N 3.16Å; K41-Y43 PolarHBondContact O-N 2.86Å; K41-E44 PolarHBondContact O-N 3.13Å |
| 42 | A | 91.7 | Very high | 95.6 | Very high | 40 Ų | 40 | 70.7 Ų | 70.7 | 33% | 0.331 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.4 | -30.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I38 L39 T45 | I38-A42 VanDerWaalsContact O-CB 3.32Å; I38-A42 WeakPolarHBondContact O-CB 3.38Å; I38-A42 PolarHBondContact O-N 3.15Å; L39-A42 PolarHBondContact O-N 3.09Å; A42-T45 PolarHBondContact O-OG1 2.79Å |
| 43 | Y | 94.8 | Very high | 95.6 | Very high | 10 Ų | 10 | 68.8 Ų | 68.8 | 4% | 0.039 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -89 | -7.5 | -177.2 | -83.9 | -108.2 | 0 | 0 | 0 | 114.3 | L39 A40 K41 T45 R46 H48 M49 V50 P51 N174 Q175 | L39-Y43 HydrophobicContact CD2-CE2 4.19Å; L39-Y43 WeakPolarHBondContact O-CB 3.45Å; L39-Y43 WeakPolarHBondContact O-CD2 3.48Å; L39-Y43 PolarHBondContact O-N 3.33Å; A40-Y43 PolarHBondContact O-N 2.76Å; K41-Y43 PolarHBondContact O-N 2.86Å; Y43-T45 PolarHBondContact O-N 3.27Å; Y43-R46 HydrophobicContact CD1-CB 4.01Å; Y43-R46 HydrophobicContact CE1-CB 4.46Å; Y43-R46 HydrophobicContact CG-CB 4.38Å; Y43-R46 PolarHBondContact O-N 2.94Å; Y43-R46 VanDerWaalsContact O-O 3.05Å; Y43-H48 HydrophobicContact CD1-CB 4.07Å; Y43-H48 HydrophobicContact CE1-CB 3.82Å; Y43-M49 WeakPolarHBondContact CE1-O 3.47Å; Y43-V50 HydrophobicContact CG-CG2 4.36Å; Y43-P51 VanDerWaalsContact CE1-CD 3.47Å; Y43-P51 HydrophobicContact CE1-CG 4.07Å; Y43-P51 HydrophobicContact CE2-CG 4.02Å; Y43-P51 WeakPolarHBondContact OH-CG 3.37Å; Y43-N174 WeakPolarHBondContact CE1-OD1 3.42Å; Y43-N174 VanDerWaalsContact CZ-OD1 3.3Å; Y43-N174 PolarHBondContact OH-OD1 3.32Å; Y43-Q175 PolarHBondContact OH-O 3.11Å |
| 44 | E | 95.2 | Very high | 95.6 | Very high | 155 Ų | 155 | 64.7 Ų | 64.7 | 72% | 0.724 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -27.3 | 169.2 | -70.5 | 172.7 | -173.4 | 0 | 0 | 112.9 | A40 K41 | A40-E44 PolarHBondContact O-N 2.84Å; K41-E44 PolarHBondContact O-N 3.13Å |
| 45 | T | 91.1 | Very high | 95.7 | Very high | 79 Ų | 79 | 64.2 Ų | 64.2 | 49% | 0.485 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 6 | 179.5 | 65.4 | 0 | 0 | 0 | 0 | 113.6 | A42 Y43 | A42-T45 PolarHBondContact O-OG1 2.79Å; Y43-T45 PolarHBondContact O-N 3.27Å |
| 46 | R | 94.2 | Very high | 95.7 | Very high | 32 Ų | 32 | 66.4 Ų | 66.4 | 12% | 0.121 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -113.1 | 136.8 | 179 | -67.3 | -164 | 163.8 | -176.7 | -0.4 | 110.5 | Y43 H48 G93 D95 T169 Q175 | Y43-R46 HydrophobicContact CD1-CB 4.01Å; Y43-R46 HydrophobicContact CE1-CB 4.46Å; Y43-R46 HydrophobicContact CG-CB 4.38Å; Y43-R46 PolarHBondContact O-N 2.94Å; Y43-R46 VanDerWaalsContact O-O 3.05Å; R46-H48 PolarHBondContact O-N 2.83Å; R46-G93 PolarHBondContact NH2-O 3.49Å; R46-D95 IonicContact NH2-OD1 3.96Å; R46-T169 CarbonylContact C-O 3.58Å; R46-T169 WeakPolarHBondContact CA-O 3.45Å; R46-Q175 PolarHBondContact NH1-O 2.84Å; R46-Q175 VanDerWaalsContact NH1-O 3.12Å |
| 47 | D | 95.2 | Very high | 95.5 | Very high | 123 Ų | 123 | 70.7 Ų | 70.7 | 66% | 0.658 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -86.2 | 62.6 | 172.9 | -174.3 | 25.1 | 0 | 0 | 0 | 109.1 | T169 A170 | D47-T169 PolarHBondContact N-O 2.95Å; D47-A170 HydrophobicContact CB-CB 4.23Å |
| 48 | H | 95.9 | Very high | 95.4 | Very high | 28 Ų | 28 | 74.1 Ų | 74.1 | 13% | 0.13 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -151.6 | 149.7 | -178.6 | -88.3 | -63.8 | 0 | 0 | 0 | 109.9 | Y43 R46 F71 C171 N174 | Y43-H48 HydrophobicContact CD1-CB 4.07Å; Y43-H48 HydrophobicContact CE1-CB 3.82Å; R46-H48 PolarHBondContact O-N 2.83Å; H48-F71 AromaticContact CE1-CD2 3.38Å; H48-F71 WeakPolarHBondContact CE1-CD2 3.41Å; H48-F71 AromaticContact CE1-CE2 3.59Å; H48-F71 AromaticContact CE1-CG 3.86Å; H48-F71 AromaticContact ND1-CD2 3.94Å; H48-F71 AromaticContact ND1-CE2 3.66Å; H48-F71 AromaticContact ND1-CZ 3.98Å; H48-C171 PolarHBondContact CE1-O 2.83Å; H48-C171 VanDerWaalsContact CE1-O 3.29Å; H48-C171 PolarHBondContact NE2-N 3.12Å; H48-C171 PolarHBondContact NE2-O 3.47Å; H48-N174 HydrophobicContact CB-CB 4.46Å |
| 49 | M | 95.6 | Very high | 95.4 | Very high | 159 Ų | 159 | 73.4 Ų | 73.4 | 78% | 0.783 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 141.9 | 166.6 | -74.1 | 178.8 | 48.9 | 0 | 0 | 110.9 | Y43 P51 N174 | Y43-M49 WeakPolarHBondContact CE1-O 3.47Å; M49-P51 WeakPolarHBondContact O-CD 3.28Å; M49-N174 PolarHBondContact O-ND2 3.31Å |
| 50 | V | 96.5 | Very high | 95.4 | Very high | 67 Ų | 67 | 82.1 Ų | 82.1 | 41% | 0.406 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 125.7 | 173.7 | -170.7 | 0 | 0 | 0 | 0 | 109 | L39 Y43 | L39-V50 HydrophobicContact CB-CG1 3.72Å; Y43-V50 HydrophobicContact CG-CG2 4.36Å |
| 51 | P | 96.2 | Very high | 95.4 | Very high | 8 Ų | 8 | 80.1 Ų | 80.1 | 5% | 0.052 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 138.5 | 175.9 | -29.3 | 37.6 | 0 | 0 | 0 | 112 | L39 Y43 M49 I65 S66 P176 | L39-P51 HydrophobicContact CD1-CB 4.32Å; Y43-P51 VanDerWaalsContact CE1-CD 3.47Å; Y43-P51 HydrophobicContact CE1-CG 4.07Å; Y43-P51 HydrophobicContact CE2-CG 4.02Å; Y43-P51 WeakPolarHBondContact OH-CG 3.37Å; M49-P51 WeakPolarHBondContact O-CD 3.28Å; P51-I65 HydrophobicContact CB-CG2 3.41Å; P51-I65 VanDerWaalsContact CB-CG2 3.41Å; P51-I65 HydrophobicContact CG-CG2 4.44Å; P51-S66 WeakPolarHBondContact CB-O 3.49Å; P51-P176 HydrophobicContact CG-CB 4.41Å |
| 52 | V | 96.6 | Very high | 95.5 | Very high | 99 Ų | 99 | 72.9 Ų | 72.9 | 60% | 0.6 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 132.1 | 177.2 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | I65 S66 | V52-I65 WeakPolarHBondContact O-CA 3.49Å; V52-S66 PolarHBondContact O-N 3.12Å |
| 53 | V | 97.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 71 Ų | 71 | 2% | 0.024 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 124.9 | 171.4 | -169.8 | 0 | 0 | 0 | 0 | 108.6 | K32 M35 E36 L39 L63 V64 I65 | K32-V53 WeakPolarHBondContact CE-O 3.32Å; K32-V53 HydrophobicContact CG-CB 4.4Å; K32-V53 HydrophobicContact CG-CG1 4.01Å; M35-V53 HydrophobicContact CB-CG1 4.27Å; M35-V53 HydrophobicContact CB-CG2 4.33Å; M35-V53 HydrophobicContact CG-CG1 4.26Å; M35-V53 HydrophobicContact CG-CG2 3.96Å; E36-V53 HydrophobicContact CG-CB 3.86Å; E36-V53 HydrophobicContact CG-CG2 3.7Å; L39-V53 HydrophobicContact CD1-CG2 3.54Å; V53-L63 HydrophobicContact CG1-CB 4.3Å; V53-L63 HydrophobicContact CG1-CD1 4.26Å; V53-L63 HydrophobicContact CG1-CD2 4.31Å; V53-V64 WeakPolarHBondContact CA-O 3.4Å; V53-I65 HydrophobicContact CG1-CG1 4.41Å; V53-I65 HydrophobicContact CG2-CG1 4.31Å |
| 54 | S | 97.8 | Very high | 95.9 | Very high | 44 Ų | 44 | 71.4 Ų | 71.4 | 31% | 0.308 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 163 | 176 | 67.3 | 0 | 0 | 0 | 0 | 111.2 | L63 V64 | S54-L63 WeakPolarHBondContact O-CA 3.38Å; S54-V64 PolarHBondContact N-O 3.5Å; S54-V64 PolarHBondContact O-N 3.39Å |
| 55 | F | 98 | Very high | 96 | Very high | 78 Ų | 78 | 64 Ų | 64 | 34% | 0.342 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 150.8 | 166.8 | -57.8 | -60.8 | 0 | 0 | 0 | 109.8 | M28 M29 K32 L63 | M28-F55 HydrophobicContact CB-CD1 4.38Å; M28-F55 HydrophobicContact CB-CE1 3.92Å; M28-F55 HydrophobicContact CE-CD1 3.85Å; M28-F55 HydrophobicContact CE-CE1 4.27Å; M28-F55 WeakPolarHBondContact O-CE1 3.35Å; M29-F55 HydrophobicContact SD-CE2 3.85Å; M29-F55 HydrophobicContact SD-CZ 3.48Å; M29-F55 WeakPolarHBondContact SD-CZ 3.49Å; K32-F55 HydrophobicContact CB-CE1 3.85Å; K32-F55 HydrophobicContact CB-CZ 3.93Å; K32-F55 HydrophobicContact CD-CD2 4.49Å; K32-F55 HydrophobicContact CD-CE1 3.93Å; K32-F55 HydrophobicContact CD-CE2 3.75Å; K32-F55 HydrophobicContact CD-CZ 3.42Å; K32-F55 VanDerWaalsContact CD-CZ 3.42Å; K32-F55 HydrophobicContact CG-CE1 4.44Å; K32-F55 HydrophobicContact CG-CZ 4.28Å; F55-L63 HydrophobicContact CD1-CD2 3.67Å; F55-L63 HydrophobicContact CE1-CD2 3.78Å |
| 56 | H | 97.3 | Very high | 96.1 | Very high | 46 Ų | 46 | 62 Ų | 62 | 21% | 0.213 | 32% | 0.316 | C | S | . | . | trans | -76.1 | 136.3 | 165 | -172.4 | -66.5 | 0 | 0 | 0 | 109.6 | K58 L59 V62 V64 | H56-K58 VanDerWaalsContact C-N 3.33Å; H56-K58 PolarHBondContact ND1-N 3.48Å; H56-K58 VanDerWaalsContact ND1-N 3.17Å; H56-K58 PolarHBondContact O-N 3.37Å; H56-L59 HydrophobicContact CB-CB 4.41Å; H56-L59 PolarHBondContact ND1-N 2.98Å; H56-V62 HydrophobicContact CB-CB 3.72Å; H56-V62 HydrophobicContact CB-CG1 3.87Å; H56-V62 PolarHBondContact N-O 3.44Å; H56-V64 HydrophobicContact CB-CG2 3.93Å | ||
| 57 | D | 93.3 | Very high | 96 | Very high | 166 Ų | 166 | 61 Ų | 61 | 89% | 0.888 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -59.1 | -39.3 | -172 | -58.5 | -26 | 0 | 0 | 0 | 114.1 | ||
| 58 | K | 94.4 | Very high | 96 | Very high | 182 Ų | 182 | 57 Ų | 57 | 79% | 0.791 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -104.4 | -42.8 | -178.1 | -61.7 | -173.7 | 177.6 | -174.9 | 0 | 115.6 | H56 | H56-K58 VanDerWaalsContact C-N 3.33Å; H56-K58 PolarHBondContact ND1-N 3.48Å; H56-K58 VanDerWaalsContact ND1-N 3.17Å; H56-K58 PolarHBondContact O-N 3.37Å |
| 59 | L | 95.7 | Very high | 95.9 | Very high | 21 Ų | 21 | 57 Ų | 57 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | trans | -85.1 | 117.5 | -173.9 | -59.7 | -177.6 | 0 | 0 | 0 | 111 | H56 D61 V62 L191 I194 L195 H198 | H56-L59 HydrophobicContact CB-CB 4.41Å; H56-L59 PolarHBondContact ND1-N 2.98Å; L59-D61 VanDerWaalsContact C-N 3.25Å; L59-D61 PolarHBondContact O-N 3.18Å; L59-V62 HydrophobicContact CB-CB 4.07Å; L59-V62 HydrophobicContact CB-CG2 3.64Å; L59-V62 HydrophobicContact CD1-CG2 3.9Å; L59-V62 HydrophobicContact CG-CG2 4.45Å; L59-V62 PolarHBondContact O-N 3.22Å; L59-L191 HydrophobicContact CD1-CD1 3.6Å; L59-I194 HydrophobicContact CD1-CG2 4.34Å; L59-L195 HydrophobicContact CD2-CD1 4.36Å; L59-H198 HydrophobicContact CD2-CB 4.34Å | ||
| 60 | K | 94.2 | Very high | 95.9 | Very high | 184 Ų | 184 | 53.7 Ų | 53.7 | 80% | 0.8 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -3.8 | -169.8 | -62.1 | -177.5 | -179.1 | 176.7 | 0 | 115.1 | M28 | M28-K60 WeakPolarHBondContact CG-O 3.36Å; M28-K60 VanDerWaalsContact SD-O 3.39Å |
| 61 | D | 96.8 | Very high | 95.8 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.027 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | 19.9 | -178.4 | 64.1 | -18.4 | 0 | 0 | 0 | 111.8 | R20 V21 T23 L59 H198 H221 | R20-D61 CarbonylContact C-O 3.59Å; R20-D61 WeakPolarHBondContact CA-O 3.35Å; V21-D61 PolarHBondContact N-O 2.9Å; T23-D61 HydrophobicContact CG2-CB 3.9Å; L59-D61 VanDerWaalsContact C-N 3.25Å; L59-D61 PolarHBondContact O-N 3.18Å; D61-H198 IonicContact OD1-CD2 3.29Å; D61-H198 IonicContact OD1-CE1 3.9Å; D61-H198 PolarHBondContact OD1-CE1 3.26Å; D61-H198 IonicContact OD1-NE2 3.33Å; D61-H198 PolarHBondContact OD1-NE2 2.83Å; D61-H198 IonicContact OD2-CE1 2.71Å; D61-H198 IonicContact OD2-NE2 3.67Å; D61-H198 PolarHBondContact OD2-NE2 3.31Å; D61-H198 VanDerWaalsContact OD2-NE2 3.11Å; D61-H221 IonicContact OD2-CD2 3.56Å; D61-H221 IonicContact OD2-CE1 3.61Å; D61-H221 IonicContact OD2-NE2 3.96Å; D61-H221 PolarHBondContact OD2-NE2 3.22Å |
| 62 | V | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.9 | -175.4 | -177.3 | 0 | 0 | 0 | 0 | 112.2 | T18 I19 M28 H56 L59 V64 I194 | T18-V62 HydrophobicContact CG2-CG1 3.92Å; I19-V62 WeakPolarHBondContact O-CA 3.41Å; M28-V62 WeakPolarHBondContact CE-O 3.4Å; H56-V62 HydrophobicContact CB-CB 3.72Å; H56-V62 HydrophobicContact CB-CG1 3.87Å; H56-V62 PolarHBondContact N-O 3.44Å; L59-V62 HydrophobicContact CB-CB 4.07Å; L59-V62 HydrophobicContact CB-CG2 3.64Å; L59-V62 HydrophobicContact CD1-CG2 3.9Å; L59-V62 HydrophobicContact CG-CG2 4.45Å; L59-V62 PolarHBondContact O-N 3.22Å; V62-V64 HydrophobicContact CG1-CG2 4.46Å; V62-I194 HydrophobicContact CG1-CD1 4.29Å; V62-I194 HydrophobicContact CG2-CD1 3.99Å; V62-I194 HydrophobicContact CG2-CG2 3.66Å |
| 63 | L | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 139.3 | 162.9 | -62.4 | 175 | 0 | 0 | 0 | 109.8 | T18 I19 V21 M28 A31 K32 M35 V53 S54 F55 W185 | T18-L63 WeakPolarHBondContact CA-O 3.4Å; I19-L63 HydrophobicContact CB-CB 4.34Å; I19-L63 PolarHBondContact N-O 3.44Å; I19-L63 PolarHBondContact O-N 3.45Å; V21-L63 HydrophobicContact CG2-CD1 3.9Å; V21-L63 HydrophobicContact CG2-CG 3.77Å; M28-L63 HydrophobicContact CE-CD2 3.7Å; M28-L63 HydrophobicContact CE-CG 4Å; A31-L63 HydrophobicContact CB-CD1 4.06Å; K32-L63 HydrophobicContact CB-CD2 3.93Å; M35-L63 HydrophobicContact CB-CD1 4.36Å; V53-L63 HydrophobicContact CG1-CB 4.3Å; V53-L63 HydrophobicContact CG1-CD1 4.26Å; V53-L63 HydrophobicContact CG1-CD2 4.31Å; S54-L63 WeakPolarHBondContact O-CA 3.38Å; F55-L63 HydrophobicContact CD1-CD2 3.67Å; F55-L63 HydrophobicContact CE1-CD2 3.78Å; L63-W185 HydrophobicContact CD1-CH2 4.45Å; L63-W185 HydrophobicContact CD1-CZ3 4.26Å |
| 64 | V | 97.1 | Very high | 95.8 | Very high | 19 Ų | 19 | 68.1 Ų | 68.1 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.1 | 174.3 | -176.5 | 0 | 0 | 0 | 0 | 107.9 | Y16 T18 V53 S54 H56 V62 | Y16-V64 HydrophobicContact CD1-CG1 3.81Å; Y16-V64 HydrophobicContact CG-CG1 4.27Å; T18-V64 HydrophobicContact CG2-CG2 4.24Å; V53-V64 WeakPolarHBondContact CA-O 3.4Å; S54-V64 PolarHBondContact N-O 3.5Å; S54-V64 PolarHBondContact O-N 3.39Å; H56-V64 HydrophobicContact CB-CG2 3.93Å; V62-V64 HydrophobicContact CG1-CG2 4.46Å |
| 65 | I | 96.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 119.5 | 175.6 | -54.1 | 170.1 | 0 | 0 | 0 | 108.7 | Y16 S17 I19 M35 L39 P51 V52 V53 G67 P176 L178 | Y16-I65 WeakPolarHBondContact CA-O 3.37Å; S17-I65 PolarHBondContact N-O 3.45Å; S17-I65 PolarHBondContact O-N 3.3Å; I19-I65 HydrophobicContact CD1-CD1 3.42Å; I19-I65 VanDerWaalsContact CD1-CD1 3.42Å; I19-I65 HydrophobicContact CD1-CG1 4.39Å; I19-I65 HydrophobicContact CG1-CD1 4.23Å; M35-I65 HydrophobicContact CE-CD1 3.92Å; M35-I65 HydrophobicContact CG-CD1 3.93Å; M35-I65 HydrophobicContact SD-CD1 4.1Å; L39-I65 HydrophobicContact CD1-CD1 4.35Å; L39-I65 HydrophobicContact CD1-CG2 4.01Å; P51-I65 HydrophobicContact CB-CG2 3.41Å; P51-I65 VanDerWaalsContact CB-CG2 3.41Å; P51-I65 HydrophobicContact CG-CG2 4.44Å; V52-I65 WeakPolarHBondContact O-CA 3.49Å; V53-I65 HydrophobicContact CG1-CG1 4.41Å; V53-I65 HydrophobicContact CG2-CG1 4.31Å; I65-G67 PolarHBondContact O-N 3.24Å; I65-P176 HydrophobicContact CB-CG 4.32Å; I65-P176 HydrophobicContact CD1-CG 4.44Å; I65-P176 HydrophobicContact CG2-CB 4.43Å; I65-P176 HydrophobicContact CG2-CG 3.78Å; I65-L178 HydrophobicContact CD1-CD1 4.42Å; I65-L178 HydrophobicContact CD1-CD2 3.62Å |
| 66 | S | 93.9 | Very high | 95.8 | Very high | 37 Ų | 37 | 70.9 Ų | 70.9 | 26% | 0.259 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 106.6 | -177.9 | -61.1 | 0 | 0 | 0 | 0 | 110.6 | L15 Y16 P51 V52 | L15-S66 CarbonylContact O-C 3.58Å; Y16-S66 WeakPolarHBondContact CE1-OG 3.42Å; P51-S66 WeakPolarHBondContact CB-O 3.49Å; V52-S66 PolarHBondContact O-N 3.12Å |
| 67 | G | 92.2 | Very high | 95.7 | Very high | 11 Ų | 11 | 73.1 Ų | 73.1 | 11% | 0.113 | 38% | 0.376 | C | S | . | . | trans | -75.1 | 172.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L15 I65 N174 | L15-G67 WeakPolarHBondContact O-CA 3.4Å; L15-G67 PolarHBondContact O-N 3.28Å; I65-G67 PolarHBondContact O-N 3.24Å; G67-N174 CarbonylContact C-O 3.56Å; G67-N174 WeakPolarHBondContact CA-O 3.49Å | ||
| 68 | S | 94.7 | Very high | 95.9 | Very high | 38 Ų | 38 | 65.5 Ų | 65.5 | 27% | 0.266 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -143.7 | 166.5 | -175.8 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | F71 N174 | S68-F71 VanDerWaalsContact C-CE2 3.48Å; S68-F71 WeakPolarHBondContact OG-CE2 3.36Å; S68-F71 WeakPolarHBondContact OG-CZ 3.13Å; S68-N174 PolarHBondContact N-O 3.33Å; S68-N174 PolarHBondContact O-N 2.71Å; S68-N174 WeakPolarHBondContact OG-CB 3.49Å; S68-N174 PolarHBondContact OG-ND2 3.26Å |
| 69 | G | 93.8 | Very high | 96.1 | Very high | 29 Ų | 29 | 58.1 Ų | 58.1 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | trans | 127.6 | -176.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | W173 | G69-W173 WeakPolarHBondContact O-CZ3 3.33Š| ||
| 70 | P | 94.8 | Very high | 96.2 | Very high | 89 Ų | 89 | 57.1 Ų | 57.1 | 58% | 0.578 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | cis | -73.5 | 144.6 | 1.5 | 31.5 | -31.3 | 0 | 0 | 0 | 111.4 | V172 W173 | P70-V172 CarbonylContact C-O 3.51Å; P70-V172 VanDerWaalsContact CA-O 3.25Å; P70-V172 WeakPolarHBondContact CA-O 3.38Å; P70-V172 HydrophobicContact CB-CG1 3.93Å; P70-W173 HydrophobicContact CB-CD2 4.47Å; P70-W173 HydrophobicContact CB-CH2 4.11Å; P70-W173 HydrophobicContact CB-CZ2 3.73Å; P70-W173 HydrophobicContact CG-CH2 4.09Å; P70-W173 HydrophobicContact CG-CZ2 4.02Å |
| 71 | F | 95.3 | Very high | 96.4 | Very high | 78 Ų | 78 | 48.4 Ų | 48.4 | 34% | 0.342 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -99.4 | 138.3 | 173.7 | -64.2 | -82.5 | 0 | 0 | 0 | 110.7 | H48 S68 L73 V172 N174 | H48-F71 AromaticContact CE1-CD2 3.38Å; H48-F71 WeakPolarHBondContact CE1-CD2 3.41Å; H48-F71 AromaticContact CE1-CE2 3.59Å; H48-F71 AromaticContact CE1-CG 3.86Å; H48-F71 AromaticContact ND1-CD2 3.94Å; H48-F71 AromaticContact ND1-CE2 3.66Å; H48-F71 AromaticContact ND1-CZ 3.98Å; S68-F71 VanDerWaalsContact C-CE2 3.48Å; S68-F71 WeakPolarHBondContact OG-CE2 3.36Å; S68-F71 WeakPolarHBondContact OG-CZ 3.13Å; F71-L73 HydrophobicContact CB-CD2 3.96Å; F71-L73 HydrophobicContact CB-CG 4.21Å; F71-V172 WeakPolarHBondContact CD2-O 3.49Å; F71-V172 PolarHBondContact N-O 2.94Å; F71-N174 HydrophobicContact CD2-CB 4.47Å; F71-N174 HydrophobicContact CE2-CB 3.7Å |
| 72 | E | 95.9 | Very high | 96.4 | Very high | 199 Ų | 199 | 48.1 Ų | 48.1 | 93% | 0.93 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -85.3 | 119.4 | 167.3 | -170.6 | 164.5 | -160.1 | 0 | 0 | 108.7 | ||
| 73 | L | 96.7 | Very high | 96.3 | Very high | 37 Ų | 37 | 51.4 Ų | 51.4 | 19% | 0.194 | 28% | 0.277 | C | S | . | . | trans | -125 | 140.2 | -174.3 | -52.6 | 171.2 | 0 | 0 | 0 | 110.2 | F71 K75 F138 A170 | F71-L73 HydrophobicContact CB-CD2 3.96Å; F71-L73 HydrophobicContact CB-CG 4.21Å; L73-K75 PolarHBondContact O-N 2.78Å; L73-F138 HydrophobicContact CB-CE1 4.01Å; L73-F138 HydrophobicContact CB-CZ 4.3Å; L73-F138 HydrophobicContact CD1-CE1 4.25Å; L73-F138 HydrophobicContact CD1-CZ 4.46Å; L73-A170 HydrophobicContact CD1-CB 3.93Å; L73-A170 VanDerWaalsContact CD1-O 3.32Å; L73-A170 WeakPolarHBondContact CD1-O 3.39Å; L73-A170 HydrophobicContact CD2-CB 4.27Å | ||
| 74 | E | 97.4 | Very high | 96 | Very high | 167 Ų | 167 | 52.4 Ų | 52.4 | 78% | 0.78 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 126.8 | 173.5 | -169.8 | -179.2 | 174.4 | 0 | 0 | 110.7 | N141 | E74-N141 PolarHBondContact O-ND2 2.9Š|
| 75 | K | 98.1 | Very high | 95.8 | Very high | 126 Ų | 126 | 59.6 Ų | 59.6 | 55% | 0.548 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 142.4 | -176.9 | -67.6 | 160.5 | -176.1 | 160.6 | 0 | 111 | L73 S115 F117 F138 | L73-K75 PolarHBondContact O-N 2.78Å; K75-S115 WeakPolarHBondContact CA-OG 3.43Å; K75-F117 HydrophobicContact CD-CZ 4.09Å; K75-F117 HydrophobicContact CG-CZ 4.5Å; K75-F138 HydrophobicContact CG-CD2 4.22Å; K75-F138 HydrophobicContact CG-CE1 4.38Å; K75-F138 HydrophobicContact CG-CE2 4.09Å; K75-F138 HydrophobicContact CG-CG 4.42Å; K75-F138 HydrophobicContact CG-CZ 4.16Å |
| 76 | Q | 97.7 | Very high | 95.7 | Very high | 54 Ų | 54 | 60.3 Ų | 60.3 | 25% | 0.252 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 150.8 | 175 | -55.1 | -58.4 | -53.2 | 0 | 0 | 110.8 | V78 N113 S115 N141 | Q76-V78 PolarHBondContact O-N 3.25Å; Q76-N113 HydrophobicContact CG-CB 4.21Å; Q76-S115 PolarHBondContact N-OG 3.36Å; Q76-N141 HydrophobicContact CG-CB 4.39Å |
| 77 | P | 96 | Very high | 95.7 | Very high | 94 Ų | 94 | 58.6 Ų | 58.6 | 61% | 0.61 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -69.4 | -18.1 | -174.4 | 26.4 | -35.8 | 0 | 0 | 0 | 114.4 | ||
| 78 | V | 98.1 | Very high | 95.7 | Very high | 6 Ų | 6 | 63.6 Ų | 63.6 | 4% | 0.036 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -102.7 | 118.3 | 175.6 | 178.5 | 0 | 0 | 0 | 0 | 108.7 | Q76 K106 F108 V114 S115 | Q76-V78 PolarHBondContact O-N 3.25Å; V78-K106 HydrophobicContact CG2-CB 4.41Å; V78-F108 HydrophobicContact CG1-CB 4.14Å; V78-V114 HydrophobicContact CB-CG1 3.98Å; V78-V114 HydrophobicContact CG1-CG1 3.76Å; V78-V114 WeakPolarHBondContact O-CA 3.28Å; V78-S115 PolarHBondContact O-N 2.97Å |
| 79 | E | 98.3 | Very high | 95.7 | Very high | 27 Ų | 27 | 64.5 Ų | 64.5 | 13% | 0.126 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 130.7 | 178.6 | -52.2 | -173.1 | 160.4 | 0 | 0 | 109.3 | Y81 S104 S105 S115 F117 K136 | E79-Y81 HydrophobicContact CB-CE1 3.73Å; E79-Y81 VanDerWaalsContact OE2-CE1 3.27Å; E79-Y81 WeakPolarHBondContact OE2-CE1 3.35Å; E79-Y81 VanDerWaalsContact OE2-CZ 3.31Å; E79-Y81 PolarHBondContact OE2-OH 2.81Å; E79-S104 CarbonylContact O-C 3.49Å; E79-S104 WeakPolarHBondContact O-CA 3.45Å; E79-S104 WeakPolarHBondContact O-CB 3.3Å; E79-S105 PolarHBondContact N-OG 2.79Å; E79-S105 PolarHBondContact O-N 3.01Å; E79-S115 CarbonylContact C-O 3.47Å; E79-S115 VanDerWaalsContact CA-O 3.28Å; E79-S115 WeakPolarHBondContact CA-O 3.33Å; E79-F117 HydrophobicContact CB-CD2 3.85Å; E79-F117 HydrophobicContact CB-CE2 4.04Å; E79-F117 HydrophobicContact CG-CD2 4Å; E79-F117 HydrophobicContact CG-CE2 3.67Å; E79-K136 IonicContact OE1-NZ 2.69Å; E79-K136 PolarHBondContact OE1-NZ 2.55Å; E79-K136 IonicContact OE2-NZ 2.68Å; E79-K136 PolarHBondContact OE2-NZ 3.08Å |
| 80 | V | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 130 | 171.6 | 172.4 | 0 | 0 | 0 | 0 | 108.4 | I101 F108 V114 S115 V116 F117 V166 | V80-I101 HydrophobicContact CG1-CB 4.47Å; V80-I101 HydrophobicContact CG1-CD1 4.44Å; V80-I101 HydrophobicContact CG1-CG1 4.06Å; V80-I101 HydrophobicContact CG1-CG2 3.79Å; V80-F108 HydrophobicContact CG2-CD1 4.49Å; V80-V114 HydrophobicContact CG2-CB 3.92Å; V80-V114 HydrophobicContact CG2-CG1 4.1Å; V80-V114 HydrophobicContact CG2-CG2 3.9Å; V80-S115 PolarHBondContact N-O 2.82Å; V80-V116 WeakPolarHBondContact O-CA 3.26Å; V80-F117 PolarHBondContact O-N 3.28Å; V80-V166 HydrophobicContact CG1-CG2 4.22Å; V80-V166 HydrophobicContact CG2-CG2 4.37Å |
| 81 | Y | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 133.2 | -177.8 | -52.6 | -55 | 0 | 0 | 0 | 111.3 | E79 I102 G103 S105 F117 K130 L131 C132 K136 | E79-Y81 HydrophobicContact CB-CE1 3.73Å; E79-Y81 VanDerWaalsContact OE2-CE1 3.27Å; E79-Y81 WeakPolarHBondContact OE2-CE1 3.35Å; E79-Y81 VanDerWaalsContact OE2-CZ 3.31Å; E79-Y81 PolarHBondContact OE2-OH 2.81Å; Y81-I102 WeakPolarHBondContact O-CB 3.39Å; Y81-I102 PolarHBondContact O-N 2.81Å; Y81-G103 PolarHBondContact N-O 2.88Å; Y81-G103 PolarHBondContact O-N 3.35Å; Y81-S105 WeakPolarHBondContact OH-CB 3.19Å; Y81-F117 CarbonylContact C-O 3.59Å; Y81-F117 VanDerWaalsContact CA-O 3.31Å; Y81-F117 WeakPolarHBondContact CA-O 3.38Å; Y81-F117 HydrophobicContact CD1-CB 3.84Å; Y81-F117 HydrophobicContact CE1-CB 4.12Å; Y81-K130 WeakPolarHBondContact CE2-O 3.4Å; Y81-L131 WeakPolarHBondContact OH-CA 3.41Å; Y81-C132 HydrophobicContact CD1-CB 3.99Å; Y81-C132 HydrophobicContact CE1-CB 3.63Å; Y81-C132 HydrophobicContact CE2-CB 4.16Å; Y81-C132 HydrophobicContact CG-CB 4.44Å; Y81-C132 PolarHBondContact OH-N 3.24Å; Y81-K136 HydrophobicContact CE1-CD 4.29Å |
| 82 | V | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 159.8 | 177.2 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | C86 V96 G100 I102 V116 F117 V118 D119 | V82-C86 HydrophobicContact CB-CB 3.92Å; V82-C86 HydrophobicContact CG2-CB 4.17Å; V82-V96 HydrophobicContact CG1-CG1 3.68Å; V82-V96 HydrophobicContact CG1-CG2 4.2Å; V82-G100 WeakPolarHBondContact CA-O 3.43Å; V82-G100 WeakPolarHBondContact CB-O 3.37Å; V82-G100 WeakPolarHBondContact CG1-O 3.47Å; V82-I102 VanDerWaalsContact C-CD1 3.5Å; V82-V116 HydrophobicContact CG1-CG1 3.91Å; V82-V116 HydrophobicContact CG2-CG1 4.07Å; V82-F117 PolarHBondContact N-O 3.4Å; V82-V118 HydrophobicContact CG2-CG2 3.83Å; V82-V118 WeakPolarHBondContact O-CA 3.45Å; V82-D119 PolarHBondContact O-N 3.12Å |
| 83 | D | 94.2 | Very high | 95.2 | Very high | 69 Ų | 69 | 51.5 Ų | 51.5 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | trans | -74.1 | 169 | 175.2 | 71.3 | 19.4 | 0 | 0 | 0 | 111.8 | K85 C86 G87 I102 | D83-K85 PolarHBondContact O-N 3.48Å; D83-K85 WeakPolarHBondContact OD1-CA 3.35Å; D83-K85 WeakPolarHBondContact OD1-CB 3.47Å; D83-K85 PolarHBondContact OD1-N 3.46Å; D83-C86 PolarHBondContact O-N 3.37Å; D83-C86 VanDerWaalsContact OD1-CB 3.31Å; D83-C86 WeakPolarHBondContact OD1-CB 3.4Å; D83-C86 PolarHBondContact OD1-N 2.95Å; D83-G87 PolarHBondContact O-N 3.1Å; D83-I102 HydrophobicContact CB-CD1 3.91Å | ||
| 84 | S | 93.1 | Very high | 95 | Very high | 21 Ų | 21 | 50.8 Ų | 50.8 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.4 | -25 | 178.9 | -38.6 | 0 | 0 | 0 | 0 | 113.4 | K88 | S84-K88 VanDerWaalsContact O-CG 3.27Å; S84-K88 WeakPolarHBondContact O-CG 3.32Å; S84-K88 PolarHBondContact O-N 2.54Å; S84-K88 VanDerWaalsContact O-N 3.1Å |
| 85 | K | 91.9 | Very high | 94.9 | Very high | 169 Ų | 169 | 43.7 Ų | 43.7 | 74% | 0.735 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -72.4 | -50.1 | 179.3 | -176.8 | -179.5 | 179 | 179.5 | 0 | 110.2 | D83 G87 K88 S89 | D83-K85 PolarHBondContact O-N 3.48Å; D83-K85 WeakPolarHBondContact OD1-CA 3.35Å; D83-K85 WeakPolarHBondContact OD1-CB 3.47Å; D83-K85 PolarHBondContact OD1-N 3.46Å; K85-G87 VanDerWaalsContact C-N 3.32Å; K85-K88 PolarHBondContact O-N 3.3Å; K85-S89 PolarHBondContact O-N 2.91Å; K85-S89 PolarHBondContact O-OG 3.35Å |
| 86 | C | 93.9 | Very high | 94.8 | Very high | 16 Ų | 16 | 37.7 Ų | 37.7 | 11% | 0.108 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.1 | -43.5 | 172.9 | -174.7 | 0 | 0 | 0 | 0 | 110.8 | V82 D83 K88 S89 V90 | V82-C86 HydrophobicContact CB-CB 3.92Å; V82-C86 HydrophobicContact CG2-CB 4.17Å; D83-C86 PolarHBondContact O-N 3.37Å; D83-C86 VanDerWaalsContact OD1-CB 3.31Å; D83-C86 WeakPolarHBondContact OD1-CB 3.4Å; D83-C86 PolarHBondContact OD1-N 2.95Å; C86-K88 VanDerWaalsContact C-N 3.34Å; C86-K88 PolarHBondContact O-N 3.1Å; C86-S89 WeakPolarHBondContact O-CA 3.21Å; C86-S89 WeakPolarHBondContact O-CB 3.25Å; C86-S89 PolarHBondContact O-N 3.46Å; C86-V90 WeakPolarHBondContact O-CG2 3.41Å; C86-V90 PolarHBondContact O-N 2.92Å |
| 87 | G | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -53.1 | -48 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D83 K85 S89 V90 L91 | D83-G87 PolarHBondContact O-N 3.1Å; K85-G87 VanDerWaalsContact C-N 3.32Å; G87-S89 VanDerWaalsContact C-N 3.29Å; G87-S89 PolarHBondContact O-N 3.18Å; G87-V90 PolarHBondContact O-N 3.44Å; G87-L91 WeakPolarHBondContact O-CG 3.34Å; G87-L91 PolarHBondContact O-N 2.95Å |
| 88 | K | 92.4 | Very high | 94.4 | Very high | 116 Ų | 116 | 36.1 Ų | 36.1 | 50% | 0.504 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.2 | -37.2 | 176.2 | -72.8 | 171.3 | -175.3 | -179 | 0 | 112.3 | M10 S84 K85 C86 R92 | M10-K88 HydrophobicContact SD-CG 3.59Å; M10-K88 VanDerWaalsContact SD-CG 3.59Å; S84-K88 VanDerWaalsContact O-CG 3.27Å; S84-K88 WeakPolarHBondContact O-CG 3.32Å; S84-K88 PolarHBondContact O-N 2.54Å; S84-K88 VanDerWaalsContact O-N 3.1Å; K85-K88 PolarHBondContact O-N 3.3Å; C86-K88 VanDerWaalsContact C-N 3.34Å; C86-K88 PolarHBondContact O-N 3.1Å; K88-R92 WeakPolarHBondContact O-CG 3.33Å; K88-R92 PolarHBondContact O-N 2.97Å |
| 89 | S | 92.7 | Very high | 93.9 | Very high | 58 Ų | 58 | 44.3 Ų | 44.3 | 41% | 0.406 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.9 | -42.3 | 174.8 | -61 | 0 | 0 | 0 | 0 | 112.1 | K85 C86 G87 R92 G93 A94 | K85-S89 PolarHBondContact O-N 2.91Å; K85-S89 PolarHBondContact O-OG 3.35Å; C86-S89 WeakPolarHBondContact O-CA 3.21Å; C86-S89 WeakPolarHBondContact O-CB 3.25Å; C86-S89 PolarHBondContact O-N 3.46Å; G87-S89 VanDerWaalsContact C-N 3.29Å; G87-S89 PolarHBondContact O-N 3.18Å; S89-R92 CarbonylContact O-C 3.6Å; S89-R92 WeakPolarHBondContact O-CA 3.2Å; S89-R92 WeakPolarHBondContact O-CB 3.26Å; S89-R92 PolarHBondContact O-N 3.03Å; S89-G93 PolarHBondContact O-N 3.05Å; S89-A94 WeakPolarHBondContact O-CB 3.31Å; S89-A94 PolarHBondContact O-N 3.24Å |
| 90 | V | 94.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.7 | -41.9 | 176.9 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | C86 G87 R92 G93 A94 V96 V139 M168 | C86-V90 WeakPolarHBondContact O-CG2 3.41Å; C86-V90 PolarHBondContact O-N 2.92Å; G87-V90 PolarHBondContact O-N 3.44Å; V90-R92 PolarHBondContact O-N 3.44Å; V90-R92 VanDerWaalsContact O-N 3.13Å; V90-G93 PolarHBondContact O-N 3.37Å; V90-A94 WeakPolarHBondContact CA-O 3.32Å; V90-V96 HydrophobicContact CG2-CG2 3.61Å; V90-V139 HydrophobicContact CB-CG2 4.42Å; V90-V139 HydrophobicContact CG1-CB 4.1Å; V90-V139 HydrophobicContact CG1-CG2 3.82Å; V90-M168 HydrophobicContact CG1-CE 3.81Å; V90-M168 HydrophobicContact CG1-CG 4.17Å; V90-M168 HydrophobicContact CG1-SD 4.29Å |
| 91 | L | 93.1 | Very high | 93.4 | Very high | 10 Ų | 10 | 43.8 Ų | 43.8 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.9 | -21.4 | 172.4 | -73.6 | -173.6 | 0 | 0 | 0 | 113.3 | M10 P13 G87 M137 V139 W173 Q175 | M10-L91 HydrophobicContact CE-CD1 3.43Å; M10-L91 VanDerWaalsContact CE-CD1 3.43Å; M10-L91 HydrophobicContact CE-CG 3.9Å; M10-L91 HydrophobicContact SD-CD1 4.09Å; P13-L91 WeakPolarHBondContact CB-O 3.46Å; P13-L91 HydrophobicContact CG-CB 4.41Å; P13-L91 WeakPolarHBondContact CG-O 3.38Å; G87-L91 WeakPolarHBondContact O-CG 3.34Å; G87-L91 PolarHBondContact O-N 2.95Å; L91-M137 HydrophobicContact CD1-CE 4.32Å; L91-V139 HydrophobicContact CD2-CB 4.41Å; L91-V139 HydrophobicContact CD2-CG1 4.05Å; L91-V139 HydrophobicContact CG-CG1 4.31Å; L91-W173 HydrophobicContact CD2-CG 4.49Å; L91-Q175 WeakPolarHBondContact O-CG 3.42Å |
| 92 | R | 91 | Very high | 93.3 | Very high | 110 Ų | 110 | 45.1 Ų | 45.1 | 42% | 0.415 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 17.2 | 173.7 | -67.6 | -66.5 | -161.7 | 141.4 | 5.8 | 112.8 | P14 K88 S89 V90 | P14-R92 VanDerWaalsContact CD-NH1 3.27Å; P14-R92 VanDerWaalsContact CG-NH2 3.32Å; K88-R92 WeakPolarHBondContact O-CG 3.33Å; K88-R92 PolarHBondContact O-N 2.97Å; S89-R92 CarbonylContact O-C 3.6Å; S89-R92 WeakPolarHBondContact O-CA 3.2Å; S89-R92 WeakPolarHBondContact O-CB 3.26Å; S89-R92 PolarHBondContact O-N 3.03Å; V90-R92 PolarHBondContact O-N 3.44Å; V90-R92 VanDerWaalsContact O-N 3.13Å |
| 93 | G | 91.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 5.4 | 174 | 0 | 0 | 0 | 0 | 0 | 115.1 | R46 S89 V90 Q175 | R46-G93 PolarHBondContact NH2-O 3.49Å; S89-G93 PolarHBondContact O-N 3.05Å; V90-G93 PolarHBondContact O-N 3.37Å; G93-Q175 WeakPolarHBondContact CA-O 3.43Å |
| 94 | A | 92.9 | Very high | 93.4 | Very high | 23 Ų | 23 | 41.8 Ų | 41.8 | 19% | 0.19 | 20% | 0.196 | C | C | . | . | trans | -74.1 | 153.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S89 V90 | S89-A94 WeakPolarHBondContact O-CB 3.31Å; S89-A94 PolarHBondContact O-N 3.24Å; V90-A94 WeakPolarHBondContact CA-O 3.32Å | ||
| 95 | D | 94.9 | Very high | 93.5 | Very high | 17 Ų | 17 | 41.5 Ų | 41.5 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | trans | -76.8 | 163 | 164.4 | -57.4 | -62.2 | 0 | 0 | 0 | 111.2 | R46 P164 M168 K177 | R46-D95 IonicContact NH2-OD1 3.96Å; D95-P164 HydrophobicContact CB-CB 3.81Å; D95-P164 HydrophobicContact CB-CG 3.87Å; D95-M168 PolarHBondContact OD1-N 2.91Å; D95-K177 IonicContact OD2-NZ 3.57Å | ||
| 96 | V | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -87.2 | 114 | 172.3 | -179 | 0 | 0 | 0 | 0 | 108.6 | V82 V90 I101 V116 G165 V166 M168 | V82-V96 HydrophobicContact CG1-CG1 3.68Å; V82-V96 HydrophobicContact CG1-CG2 4.2Å; V90-V96 HydrophobicContact CG2-CG2 3.61Å; V96-I101 HydrophobicContact CG1-CD1 4.27Å; V96-I101 HydrophobicContact CG1-CG1 3.56Å; V96-V116 HydrophobicContact CG2-CG1 3.92Å; V96-V116 HydrophobicContact CG2-CG2 4.21Å; V96-G165 CarbonylContact O-C 3.49Å; V96-G165 WeakPolarHBondContact O-CA 3.34Å; V96-G165 PolarHBondContact O-N 3.08Å; V96-V166 HydrophobicContact CB-CB 4Å; V96-V166 HydrophobicContact CB-CG2 4.46Å; V96-V166 HydrophobicContact CG2-CB 4.39Å; V96-V166 PolarHBondContact N-O 2.8Å; V96-V166 PolarHBondContact O-N 2.84Å; V96-M168 HydrophobicContact CG2-SD 4.07Å |
| 97 | Y | 93.4 | Very high | 93.6 | Very high | 97 Ų | 97 | 42.9 Ų | 42.9 | 38% | 0.38 | 21% | 0.21 | S | C | . | . | trans | -77.8 | 154.9 | 172.3 | -68.2 | -84 | 0 | 0 | 0 | 111.3 | R99 G100 K177 | Y97-R99 PolarHBondContact O-N 3.35Å; Y97-G100 WeakPolarHBondContact O-CA 3.47Å; Y97-G100 PolarHBondContact O-N 3.13Å; Y97-K177 PolarHBondContact OH-NZ 3.19Å | ||
| 98 | P | 92 | Very high | 93.7 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 12% | 0.123 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -51.5 | -37 | -175.4 | -30.7 | 38 | 0 | 0 | 0 | 114.5 | G100 I101 V146 I151 C161 S163 | P98-G100 VanDerWaalsContact C-N 3.26Å; P98-G100 PolarHBondContact O-N 3.25Å; P98-I101 PolarHBondContact O-N 2.85Å; P98-V146 HydrophobicContact CG-CG1 4.4Å; P98-I151 HydrophobicContact CB-CG1 4.17Å; P98-C161 HydrophobicContact CG-CB 4.33Å; P98-S163 WeakPolarHBondContact CD-O 3.48Å |
| 99 | R | 87.8 | Confident | 93.8 | Very high | 178 Ų | 178 | 44.2 Ų | 44.2 | 67% | 0.672 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -68.6 | -21.4 | 178.3 | -63 | -176.8 | -177.3 | -168 | -0.8 | 114.2 | Y97 I101 K159 I160 | Y97-R99 PolarHBondContact O-N 3.35Å; R99-I101 VanDerWaalsContact C-N 3.31Å; R99-K159 PolarHBondContact NE-O 3.12Å; R99-K159 PolarHBondContact NH2-O 3.26Å; R99-I160 VanDerWaalsContact NH2-CG1 3.28Å |
| 100 | G | 91.6 | Very high | 94 | Very high | 14 Ų | 14 | 48 Ų | 48 | 14% | 0.144 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -80 | -13.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V82 Y97 P98 I102 | V82-G100 WeakPolarHBondContact CA-O 3.43Å; V82-G100 WeakPolarHBondContact CB-O 3.37Å; V82-G100 WeakPolarHBondContact CG1-O 3.47Å; Y97-G100 WeakPolarHBondContact O-CA 3.47Å; Y97-G100 PolarHBondContact O-N 3.13Å; P98-G100 VanDerWaalsContact C-N 3.26Å; P98-G100 PolarHBondContact O-N 3.25Å; G100-I102 PolarHBondContact O-N 3.22Å |
| 101 | I | 94.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 112.3 | -178.4 | -59.1 | 172.1 | 0 | 0 | 0 | 109.5 | V80 V96 P98 R99 I151 F152 V166 | V80-I101 HydrophobicContact CG1-CB 4.47Å; V80-I101 HydrophobicContact CG1-CD1 4.44Å; V80-I101 HydrophobicContact CG1-CG1 4.06Å; V80-I101 HydrophobicContact CG1-CG2 3.79Å; V96-I101 HydrophobicContact CG1-CD1 4.27Å; V96-I101 HydrophobicContact CG1-CG1 3.56Å; P98-I101 PolarHBondContact O-N 2.85Å; R99-I101 VanDerWaalsContact C-N 3.31Å; I101-I151 HydrophobicContact CB-CD1 4.47Å; I101-I151 HydrophobicContact CD1-CD1 3.68Å; I101-F152 HydrophobicContact CG2-CE2 4.38Å; I101-F152 HydrophobicContact CG2-CZ 4.04Å; I101-V166 HydrophobicContact CD1-CG2 4.15Å |
| 102 | I | 95 | Very high | 94.3 | Very high | 27 Ų | 27 | 51.4 Ų | 51.4 | 14% | 0.138 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -43.2 | 175.7 | -59.3 | 175.1 | 0 | 0 | 0 | 110.2 | Y81 V82 D83 G100 C124 R125 L126 G127 F152 | Y81-I102 WeakPolarHBondContact O-CB 3.39Å; Y81-I102 PolarHBondContact O-N 2.81Å; V82-I102 VanDerWaalsContact C-CD1 3.5Å; D83-I102 HydrophobicContact CB-CD1 3.91Å; G100-I102 PolarHBondContact O-N 3.22Å; I102-C124 HydrophobicContact CG2-CB 3.69Å; I102-C124 WeakPolarHBondContact CG2-O 3.32Å; I102-R125 WeakPolarHBondContact CG2-O 3.35Å; I102-L126 CarbonylContact O-C 3.56Å; I102-L126 WeakPolarHBondContact O-CA 3.1Å; I102-G127 PolarHBondContact O-N 3.36Å; I102-F152 WeakPolarHBondContact O-CE1 3.43Å; I102-F152 WeakPolarHBondContact O-CZ 3.4Å |
| 103 | G | 95.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.5 | -165.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y81 W128 | Y81-G103 PolarHBondContact N-O 2.88Å; Y81-G103 PolarHBondContact O-N 3.35Å; G103-W128 WeakPolarHBondContact CA-O 3.29Å |
| 104 | S | 97 | Very high | 95 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 161.7 | -179.7 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | E79 K106 F108 W128 K129 K130 R148 | E79-S104 CarbonylContact O-C 3.49Å; E79-S104 WeakPolarHBondContact O-CA 3.45Å; E79-S104 WeakPolarHBondContact O-CB 3.3Å; S104-K106 VanDerWaalsContact C-N 3.32Å; S104-K106 WeakPolarHBondContact CB-O 3.43Å; S104-K106 PolarHBondContact OG-O 3.33Å; S104-F108 WeakPolarHBondContact OG-CD1 3.34Å; S104-W128 PolarHBondContact N-O 3.36Å; S104-K129 CarbonylContact O-C 3.45Å; S104-K129 WeakPolarHBondContact O-CA 3.34Å; S104-K130 PolarHBondContact O-N 3.19Å; S104-R148 PolarHBondContact OG-NH1 3.11Å |
| 105 | S | 96.3 | Very high | 95.2 | Very high | 14 Ų | 14 | 49.3 Ų | 49.3 | 10% | 0.098 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -68 | -31.1 | 178.4 | 65.1 | 0 | 0 | 0 | 0 | 113.6 | E79 Y81 K129 K130 | E79-S105 PolarHBondContact N-OG 2.79Å; E79-S105 PolarHBondContact O-N 3.01Å; Y81-S105 WeakPolarHBondContact OH-CB 3.19Å; S105-K129 VanDerWaalsContact O-O 3.07Å; S105-K130 WeakPolarHBondContact CA-O 3.4Å |
| 106 | K | 94.3 | Very high | 95.4 | Very high | 125 Ų | 125 | 48.5 Ų | 48.5 | 54% | 0.543 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -143.3 | 171 | -178.9 | -63.4 | 178.3 | -177.6 | 173.3 | 0 | 109.4 | V78 S104 | V78-K106 HydrophobicContact CG2-CB 4.41Å; S104-K106 VanDerWaalsContact C-N 3.32Å; S104-K106 WeakPolarHBondContact CB-O 3.43Å; S104-K106 PolarHBondContact OG-O 3.33Å |
| 107 | S | 94.5 | Very high | 95.5 | Very high | 90 Ų | 90 | 48.9 Ų | 48.9 | 63% | 0.629 | 24% | 0.241 | S | C | * | . | trans | -61.7 | 150.3 | 169.2 | -161.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 108 | F | 95.1 | Very high | 95.7 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | trans | -135.3 | 155.4 | 175 | 63.1 | -97.1 | 0 | 0 | 0 | 112.1 | V78 V80 S104 C144 R148 I151 F152 | V78-F108 HydrophobicContact CG1-CB 4.14Å; V80-F108 HydrophobicContact CG2-CD1 4.49Å; S104-F108 WeakPolarHBondContact OG-CD1 3.34Å; F108-C144 HydrophobicContact CD2-CB 4.28Å; F108-C144 VanDerWaalsContact CD2-SG 3.58Å; F108-R148 HydrophobicContact CD1-CB 4.18Å; F108-R148 HydrophobicContact CD1-CG 4.43Å; F108-R148 HydrophobicContact CD2-CB 4.2Å; F108-R148 HydrophobicContact CE1-CB 3.96Å; F108-R148 HydrophobicContact CE1-CG 3.96Å; F108-R148 HydrophobicContact CE2-CB 3.97Å; F108-R148 HydrophobicContact CG-CB 4.29Å; F108-R148 HydrophobicContact CZ-CB 3.84Å; F108-R148 HydrophobicContact CZ-CG 4.11Å; F108-R148 WeakPolarHBondContact O-CB 3.23Å; F108-R148 PolarHBondContact O-N 3.36Å; F108-I151 HydrophobicContact CE2-CD1 4.09Å; F108-I151 HydrophobicContact CZ-CD1 3.82Å; F108-F152 HydrophobicContact CZ-CE2 4.49Å | ||
| 109 | Y | 96.2 | Very high | 95.9 | Very high | 139 Ų | 139 | 43.4 Ų | 43.4 | 55% | 0.545 | 22% | 0.218 | S | C | . | . | trans | -130.2 | 158.7 | -179.7 | 56.3 | -89.7 | 0 | 0 | 0 | 111.2 | G111 Q112 C144 | Y109-G111 PolarHBondContact O-N 2.72Å; Y109-Q112 HydrophobicContact CD1-CB 4.3Å; Y109-Q112 HydrophobicContact CD2-CB 4.02Å; Y109-Q112 HydrophobicContact CE1-CB 4.16Å; Y109-Q112 VanDerWaalsContact CE1-CD 3.44Å; Y109-Q112 HydrophobicContact CE1-CG 4.01Å; Y109-Q112 HydrophobicContact CE2-CB 3.84Å; Y109-Q112 HydrophobicContact CE2-CG 4.36Å; Y109-Q112 HydrophobicContact CG-CB 4.24Å; Y109-Q112 WeakPolarHBondContact O-CB 3.45Å; Y109-Q112 PolarHBondContact O-N 2.63Å; Y109-Q112 VanDerWaalsContact O-N 3.11Å; Y109-C144 VanDerWaalsContact O-CB 3.27Å; Y109-C144 WeakPolarHBondContact O-CB 3.39Å | ||
| 110 | K | 96.1 | Very high | 96.2 | Very high | 139 Ų | 139 | 36.4 Ų | 36.4 | 60% | 0.604 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 132.1 | 177.2 | -179.8 | 176 | -178.6 | -178.6 | 0 | 110.6 | G145 N147 | K110-G145 WeakPolarHBondContact CD-O 3.27Å; K110-G145 WeakPolarHBondContact CE-O 3.32Å; K110-G145 WeakPolarHBondContact CG-O 3.45Å; K110-N147 PolarHBondContact N-OD1 3.13Å |
| 111 | G | 96.6 | Very high | 96.3 | Very high | 48 Ų | 48 | 39 Ų | 39 | 50% | 0.495 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | -7.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y109 C144 | Y109-G111 PolarHBondContact O-N 2.72Å; G111-C144 PolarHBondContact N-O 3.15Å |
| 112 | Q | 97.8 | Very high | 96.1 | Very high | 33 Ų | 33 | 49.1 Ų | 49.1 | 15% | 0.154 | 24% | 0.242 | C | C | . | . | trans | -76.8 | 137.7 | 179.8 | -167.8 | 175 | 25.1 | 0 | 0 | 112.4 | Y109 V143 C144 | Y109-Q112 HydrophobicContact CD1-CB 4.3Å; Y109-Q112 HydrophobicContact CD2-CB 4.02Å; Y109-Q112 HydrophobicContact CE1-CB 4.16Å; Y109-Q112 VanDerWaalsContact CE1-CD 3.44Å; Y109-Q112 HydrophobicContact CE1-CG 4.01Å; Y109-Q112 HydrophobicContact CE2-CB 3.84Å; Y109-Q112 HydrophobicContact CE2-CG 4.36Å; Y109-Q112 HydrophobicContact CG-CB 4.24Å; Y109-Q112 WeakPolarHBondContact O-CB 3.45Å; Y109-Q112 PolarHBondContact O-N 2.63Å; Y109-Q112 VanDerWaalsContact O-N 3.11Å; Q112-V143 WeakPolarHBondContact O-CA 3.34Å; Q112-C144 PolarHBondContact O-N 3.3Å | ||
| 113 | N | 98.4 | Very high | 96 | Very high | 89 Ų | 89 | 49.5 Ų | 49.5 | 48% | 0.476 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 133.4 | 169.3 | -67.2 | -21.1 | 0 | 0 | 0 | 111 | Q76 G142 V143 | Q76-N113 HydrophobicContact CG-CB 4.21Å; N113-G142 WeakPolarHBondContact CA-O 3.24Å; N113-V143 WeakPolarHBondContact OD1-CG2 3.49Å |
| 114 | V | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 155.4 | -177.4 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | V78 V80 N141 G142 C144 V166 | V78-V114 HydrophobicContact CB-CG1 3.98Å; V78-V114 HydrophobicContact CG1-CG1 3.76Å; V78-V114 WeakPolarHBondContact O-CA 3.28Å; V80-V114 HydrophobicContact CG2-CB 3.92Å; V80-V114 HydrophobicContact CG2-CG1 4.1Å; V80-V114 HydrophobicContact CG2-CG2 3.9Å; V114-N141 CarbonylContact O-C 3.55Å; V114-N141 VanDerWaalsContact O-CA 3.26Å; V114-N141 WeakPolarHBondContact O-CA 3.36Å; V114-G142 PolarHBondContact N-O 3.34Å; V114-G142 PolarHBondContact O-N 2.89Å; V114-C144 WeakPolarHBondContact CG1-SG 3.42Å; V114-V166 HydrophobicContact CG2-CB 4.48Å; V114-V166 HydrophobicContact CG2-CG1 3.61Å; V114-V166 HydrophobicContact CG2-CG2 3.98Å |
| 115 | S | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 129.6 | 168 | -77.6 | 0 | 0 | 0 | 0 | 109.9 | K75 Q76 V78 E79 V80 F138 N141 | K75-S115 WeakPolarHBondContact CA-OG 3.43Å; Q76-S115 PolarHBondContact N-OG 3.36Å; V78-S115 PolarHBondContact O-N 2.97Å; E79-S115 CarbonylContact C-O 3.47Å; E79-S115 VanDerWaalsContact CA-O 3.28Å; E79-S115 WeakPolarHBondContact CA-O 3.33Å; V80-S115 PolarHBondContact N-O 2.82Å; S115-F138 WeakPolarHBondContact OG-CE2 3.45Å; S115-N141 PolarHBondContact OG-OD1 3.45Å |
| 116 | V | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 129.3 | 177.6 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | V80 V82 V96 F138 V139 G140 V166 M168 | V80-V116 WeakPolarHBondContact O-CA 3.26Å; V82-V116 HydrophobicContact CG1-CG1 3.91Å; V82-V116 HydrophobicContact CG2-CG1 4.07Å; V96-V116 HydrophobicContact CG2-CG1 3.92Å; V96-V116 HydrophobicContact CG2-CG2 4.21Å; V116-F138 WeakPolarHBondContact O-CD2 3.49Å; V116-V139 HydrophobicContact CB-CG2 3.87Å; V116-V139 HydrophobicContact CG1-CG2 3.63Å; V116-V139 WeakPolarHBondContact O-CG2 3.24Å; V116-V139 PolarHBondContact O-N 3.23Å; V116-G140 PolarHBondContact N-O 2.99Å; V116-V166 HydrophobicContact CG2-CB 4.4Å; V116-V166 HydrophobicContact CG2-CG1 3.99Å; V116-M168 HydrophobicContact CB-CE 4.19Å; V116-M168 HydrophobicContact CB-SD 4.25Å; V116-M168 HydrophobicContact CG2-CE 4.08Å; V116-M168 HydrophobicContact CG2-SD 3.61Å |
| 117 | F | 98 | Very high | 95.3 | Very high | 8 Ų | 8 | 60.5 Ų | 60.5 | 4% | 0.035 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 141.4 | 177.6 | -74.5 | -95.8 | 0 | 0 | 0 | 110.4 | K75 E79 V80 Y81 V82 K136 M137 F138 | K75-F117 HydrophobicContact CD-CZ 4.09Å; K75-F117 HydrophobicContact CG-CZ 4.5Å; E79-F117 HydrophobicContact CB-CD2 3.85Å; E79-F117 HydrophobicContact CB-CE2 4.04Å; E79-F117 HydrophobicContact CG-CD2 4Å; E79-F117 HydrophobicContact CG-CE2 3.67Å; V80-F117 PolarHBondContact O-N 3.28Å; Y81-F117 CarbonylContact C-O 3.59Å; Y81-F117 VanDerWaalsContact CA-O 3.31Å; Y81-F117 WeakPolarHBondContact CA-O 3.38Å; Y81-F117 HydrophobicContact CD1-CB 3.84Å; Y81-F117 HydrophobicContact CE1-CB 4.12Å; V82-F117 PolarHBondContact N-O 3.4Å; F117-K136 HydrophobicContact CB-CB 4.31Å; F117-K136 HydrophobicContact CB-CD 4.4Å; F117-K136 HydrophobicContact CD1-CB 4.12Å; F117-K136 HydrophobicContact CD1-CD 3.6Å; F117-K136 HydrophobicContact CD1-CG 3.76Å; F117-K136 HydrophobicContact CE1-CD 3.97Å; F117-K136 HydrophobicContact CE1-CG 4.26Å; F117-K136 HydrophobicContact CG-CD 4.05Å; F117-M137 CarbonylContact C-O 3.37Å; F117-M137 VanDerWaalsContact CA-O 3.25Å; F117-M137 WeakPolarHBondContact CA-O 3.39Å; F117-F138 HydrophobicContact CD1-CB 3.9Å; F117-F138 HydrophobicContact CD2-CD2 4.34Å; F117-F138 HydrophobicContact CE1-CB 3.55Å; F117-F138 HydrophobicContact CE1-CD2 4.14Å; F117-F138 HydrophobicContact CE1-CG 4.26Å; F117-F138 AromaticContact CE2-CD2 3.93Å; F117-F138 HydrophobicContact CE2-CD2 3.93Å; F117-F138 HydrophobicContact CZ-CB 4.06Å; F117-F138 AromaticContact CZ-CD2 3.83Å; F117-F138 HydrophobicContact CZ-CD2 3.83Å; F117-F138 HydrophobicContact CZ-CG 4.29Å |
| 118 | V | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 122.8 | 171.7 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | M10 V82 L120 K136 M137 V139 | M10-V118 HydrophobicContact CE-CB 4.27Å; M10-V118 HydrophobicContact CE-CG1 4.23Å; M10-V118 HydrophobicContact CE-CG2 3.71Å; V82-V118 HydrophobicContact CG2-CG2 3.83Å; V82-V118 WeakPolarHBondContact O-CA 3.45Å; V118-L120 HydrophobicContact CG1-CD2 4.09Å; V118-L120 PolarHBondContact O-N 3.38Å; V118-K136 CarbonylContact O-C 3.58Å; V118-K136 WeakPolarHBondContact O-CA 3.38Å; V118-M137 PolarHBondContact N-O 3.44Å; V118-M137 PolarHBondContact O-N 2.99Å; V118-V139 HydrophobicContact CG2-CG1 3.52Å; V118-V139 HydrophobicContact CG2-CG2 4.25Å |
| 119 | D | 96 | Very high | 95.1 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 103.9 | 171.4 | 179 | 11.8 | 0 | 0 | 0 | 108.9 | V82 D121 R122 S123 C124 | V82-D119 PolarHBondContact O-N 3.12Å; D119-D121 PolarHBondContact OD1-N 3.34Å; D119-R122 PolarHBondContact OD1-N 3.17Å; D119-R122 VanDerWaalsContact OD1-N 3.16Å; D119-R122 VanDerWaalsContact OD2-C 3.25Å; D119-R122 VanDerWaalsContact OD2-CA 3.32Å; D119-R122 WeakPolarHBondContact OD2-CA 3.47Å; D119-S123 VanDerWaalsContact CG-N 3.3Å; D119-S123 PolarHBondContact OD1-N 2.88Å; D119-S123 PolarHBondContact OD1-OG 3.47Å; D119-S123 PolarHBondContact OD2-N 2.68Å; D119-C124 WeakPolarHBondContact OD2-CB 3.45Å; D119-C124 PolarHBondContact OD2-N 2.82Å |
| 120 | L | 93.8 | Very high | 95.1 | Very high | 31 Ų | 31 | 67.1 Ų | 67.1 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -76.8 | -27.7 | -173.6 | -61.4 | 174.9 | 0 | 0 | 0 | 111.8 | I9 M10 V118 R135 M137 | I9-L120 HydrophobicContact CB-CD2 4.32Å; I9-L120 HydrophobicContact CD1-CB 4.34Å; I9-L120 HydrophobicContact CG2-CB 4.45Å; I9-L120 HydrophobicContact CG2-CD2 3.68Å; M10-L120 HydrophobicContact CG-CD2 4.19Å; V118-L120 HydrophobicContact CG1-CD2 4.09Å; V118-L120 PolarHBondContact O-N 3.38Å; L120-R135 HydrophobicContact CB-CB 4.39Å; L120-R135 WeakPolarHBondContact CB-O 3.49Å; L120-R135 HydrophobicContact CD1-CB 4.25Å; L120-R135 PolarHBondContact N-O 2.97Å; L120-M137 HydrophobicContact CD1-CB 4.13Å; L120-M137 HydrophobicContact CD2-CB 4.18Å; L120-M137 HydrophobicContact CG-CB 4.28Å |
| 121 | D | 93.6 | Very high | 95 | Very high | 69 Ų | 69 | 65.8 Ų | 65.8 | 37% | 0.369 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -101 | 2 | -174.4 | -63 | -27.8 | 0 | 0 | 0 | 112.7 | D119 S123 R135 | D119-D121 PolarHBondContact OD1-N 3.34Å; D121-S123 PolarHBondContact O-N 2.91Å; D121-R135 IonicContact OD1-CZ 3.08Å; D121-R135 VanDerWaalsContact OD1-CZ 3.29Å; D121-R135 IonicContact OD1-NE 2.71Å; D121-R135 PolarHBondContact OD1-NE 3.12Å; D121-R135 VanDerWaalsContact OD1-NE 3.08Å; D121-R135 IonicContact OD1-NH2 3.32Å; D121-R135 PolarHBondContact OD1-NH2 3.07Å; D121-R135 VanDerWaalsContact OD2-CB 3.26Å; D121-R135 WeakPolarHBondContact OD2-CB 3.46Å; D121-R135 WeakPolarHBondContact OD2-CG 3.24Å; D121-R135 PolarHBondContact OD2-N 3.19Å; D121-R135 IonicContact OD2-NE 3.58Å; D121-R135 PolarHBondContact OD2-NE 3.38Å |
| 122 | R | 92 | Very high | 94.9 | Very high | 215 Ų | 215 | 64.1 Ų | 64.1 | 81% | 0.811 | 30% | 0.299 | S | S | * | . | trans | 52.8 | 38.6 | -174.1 | -54.1 | -179.4 | -176.1 | 179.5 | 2 | 112.3 | D119 | D119-R122 PolarHBondContact OD1-N 3.17Å; D119-R122 VanDerWaalsContact OD1-N 3.16Å; D119-R122 VanDerWaalsContact OD2-C 3.25Å; D119-R122 VanDerWaalsContact OD2-CA 3.32Å; D119-R122 WeakPolarHBondContact OD2-CA 3.47Å | ||
| 123 | S | 92.7 | Very high | 94.7 | Very high | 35 Ų | 35 | 66.8 Ų | 66.8 | 25% | 0.245 | 32% | 0.319 | C | S | . | . | trans | -84 | -22.1 | -173.4 | 68.8 | 0 | 0 | 0 | 0 | 113.5 | D119 D121 C132 G134 | D119-S123 VanDerWaalsContact CG-N 3.3Å; D119-S123 PolarHBondContact OD1-N 2.88Å; D119-S123 PolarHBondContact OD1-OG 3.47Å; D119-S123 PolarHBondContact OD2-N 2.68Å; D121-S123 PolarHBondContact O-N 2.91Å; S123-C132 PolarHBondContact OG-SG 2.86Å; S123-G134 WeakPolarHBondContact OG-CA 3.46Å; S123-G134 PolarHBondContact OG-N 2.66Å; S123-G134 VanDerWaalsContact OG-N 3.07Å | ||
| 124 | C | 92.9 | Very high | 94.5 | Very high | 11 Ų | 11 | 63.6 Ų | 63.6 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 128.8 | 175.3 | -67.8 | 0 | 0 | 0 | 0 | 111 | I102 D119 W128 | I102-C124 HydrophobicContact CG2-CB 3.69Å; I102-C124 WeakPolarHBondContact CG2-O 3.32Å; D119-C124 WeakPolarHBondContact OD2-CB 3.45Å; D119-C124 PolarHBondContact OD2-N 2.82Å; C124-W128 HydrophobicContact CB-CB 4.08Å; C124-W128 HydrophobicContact CB-CG 4.11Å |
| 125 | R | 92.7 | Very high | 94.3 | Very high | 199 Ų | 199 | 68.4 Ų | 68.4 | 75% | 0.751 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -81.8 | 157 | 168.9 | -60.1 | -178 | -173.9 | 179.8 | 1 | 110.9 | I102 G127 W128 | I102-R125 WeakPolarHBondContact CG2-O 3.35Å; R125-G127 PolarHBondContact O-N 3.31Å; R125-W128 HydrophobicContact CB-CE3 4.23Å; R125-W128 HydrophobicContact CG-CZ3 4.48Å; R125-W128 WeakPolarHBondContact O-CB 3.5Å; R125-W128 PolarHBondContact O-N 3.1Å |
| 126 | L | 91.5 | Very high | 94.1 | Very high | 137 Ų | 137 | 72 Ų | 72 | 72% | 0.717 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 128 | 173.6 | -172.2 | 71.3 | 0 | 0 | 0 | 110.5 | I102 F152 | I102-L126 CarbonylContact O-C 3.56Å; I102-L126 WeakPolarHBondContact O-CA 3.1Å; L126-F152 HydrophobicContact CD1-CD1 4.46Å; L126-F152 HydrophobicContact CD1-CE1 3.83Å; L126-F152 HydrophobicContact CG-CD1 4.37Å; L126-F152 HydrophobicContact CG-CE1 4.14Å |
| 127 | G | 90.5 | Very high | 94 | Very high | 22 Ų | 22 | 74.7 Ų | 74.7 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 19.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | I102 R125 R148 F152 | I102-G127 PolarHBondContact O-N 3.36Å; R125-G127 PolarHBondContact O-N 3.31Å; G127-R148 PolarHBondContact O-NH2 3.07Å; G127-F152 VanDerWaalsContact CA-CE1 3.49Å; G127-F152 VanDerWaalsContact N-CE1 3.28Å |
| 128 | W | 93.4 | Very high | 93.9 | Very high | 68 Ų | 68 | 75.8 Ų | 75.8 | 26% | 0.258 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -53.8 | 142.2 | 174.9 | -159.8 | -110.1 | 0 | 0 | 0 | 112 | G103 S104 C124 R125 K130 L131 P133 R148 | G103-W128 WeakPolarHBondContact CA-O 3.29Å; S104-W128 PolarHBondContact N-O 3.36Å; C124-W128 HydrophobicContact CB-CB 4.08Å; C124-W128 HydrophobicContact CB-CG 4.11Å; R125-W128 HydrophobicContact CB-CE3 4.23Å; R125-W128 HydrophobicContact CG-CZ3 4.48Å; R125-W128 WeakPolarHBondContact O-CB 3.5Å; R125-W128 PolarHBondContact O-N 3.1Å; W128-K130 PolarHBondContact NE1-O 3.19Å; W128-L131 PolarHBondContact NE1-O 3.03Å; W128-P133 HydrophobicContact CH2-CG 4.4Å; W128-P133 HydrophobicContact CZ2-CG 3.87Å; W128-R148 PolarHBondContact O-NH1 3.23Å; W128-R148 PolarHBondContact O-NH2 2.88Å |
| 129 | K | 93.2 | Very high | 93.9 | Very high | 150 Ų | 150 | 75.8 Ų | 75.8 | 65% | 0.652 | 36% | 0.359 | S | S | * | . | trans | -128.8 | 5.5 | -172.2 | -69.4 | -178.9 | -176.6 | -179.8 | 0 | 114.1 | S104 S105 | S104-K129 CarbonylContact O-C 3.45Å; S104-K129 WeakPolarHBondContact O-CA 3.34Å; S105-K129 VanDerWaalsContact O-O 3.07Å | ||
| 130 | K | 94.5 | Very high | 94 | Very high | 155 Ų | 155 | 75.7 Ų | 75.7 | 67% | 0.674 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -126.8 | 175.4 | -175.7 | -64.9 | -175.4 | -180 | -177.8 | 0 | 109.1 | Y81 S104 S105 W128 | Y81-K130 WeakPolarHBondContact CE2-O 3.4Å; S104-K130 PolarHBondContact O-N 3.19Å; S105-K130 WeakPolarHBondContact CA-O 3.4Å; W128-K130 PolarHBondContact NE1-O 3.19Å |
| 131 | L | 95.3 | Very high | 94.2 | Very high | 110 Ų | 110 | 75 Ų | 75 | 58% | 0.576 | 36% | 0.355 | S | S | * | . | trans | -55.4 | 144.4 | 171 | -69.8 | 169.7 | 0 | 0 | 0 | 111 | Y81 W128 P133 | Y81-L131 WeakPolarHBondContact OH-CA 3.41Å; W128-L131 PolarHBondContact NE1-O 3.03Å; L131-P133 WeakPolarHBondContact O-CD 3.16Å | ||
| 132 | C | 94.8 | Very high | 94.4 | Very high | 14 Ų | 14 | 71.7 Ų | 71.7 | 10% | 0.095 | 34% | 0.338 | C | S | . | . | trans | -59.4 | 123.5 | 174.5 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | Y81 S123 K136 | Y81-C132 HydrophobicContact CD1-CB 3.99Å; Y81-C132 HydrophobicContact CE1-CB 3.63Å; Y81-C132 HydrophobicContact CE2-CB 4.16Å; Y81-C132 HydrophobicContact CG-CB 4.44Å; Y81-C132 PolarHBondContact OH-N 3.24Å; S123-C132 PolarHBondContact OG-SG 2.86Å; C132-K136 HydrophobicContact CB-CB 4.46Å; C132-K136 HydrophobicContact CB-CD 4.14Å | ||
| 133 | P | 93.4 | Very high | 94.7 | Very high | 88 Ų | 88 | 62.4 Ų | 62.4 | 57% | 0.571 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -79.1 | -23.1 | -176.9 | 29.2 | -31.6 | 0 | 0 | 0 | 113.1 | W128 L131 | W128-P133 HydrophobicContact CH2-CG 4.4Å; W128-P133 HydrophobicContact CZ2-CG 3.87Å; L131-P133 WeakPolarHBondContact O-CD 3.16Å |
| 134 | G | 93 | Very high | 94.9 | Very high | 22 Ų | 22 | 60.8 Ų | 60.8 | 23% | 0.227 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -96.2 | -174.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | S123 K136 | S123-G134 WeakPolarHBondContact OG-CA 3.46Å; S123-G134 PolarHBondContact OG-N 2.66Å; S123-G134 VanDerWaalsContact OG-N 3.07Å; G134-K136 PolarHBondContact O-N 3.12Å |
| 135 | R | 94.3 | Very high | 95 | Very high | 102 Ų | 102 | 61.2 Ų | 61.2 | 39% | 0.385 | 30% | 0.3 | S | S | . | . | trans | -64.5 | 135.2 | 174.1 | -61.2 | 177.6 | -58.9 | 143.6 | -0.6 | 109.8 | C6 L120 D121 | C6-R135 PolarHBondContact SG-NH1 2.86Å; C6-R135 PolarHBondContact SG-NH2 3.23Å; L120-R135 HydrophobicContact CB-CB 4.39Å; L120-R135 WeakPolarHBondContact CB-O 3.49Å; L120-R135 HydrophobicContact CD1-CB 4.25Å; L120-R135 PolarHBondContact N-O 2.97Å; D121-R135 IonicContact OD1-CZ 3.08Å; D121-R135 VanDerWaalsContact OD1-CZ 3.29Å; D121-R135 IonicContact OD1-NE 2.71Å; D121-R135 PolarHBondContact OD1-NE 3.12Å; D121-R135 VanDerWaalsContact OD1-NE 3.08Å; D121-R135 IonicContact OD1-NH2 3.32Å; D121-R135 PolarHBondContact OD1-NH2 3.07Å; D121-R135 VanDerWaalsContact OD2-CB 3.26Å; D121-R135 WeakPolarHBondContact OD2-CB 3.46Å; D121-R135 WeakPolarHBondContact OD2-CG 3.24Å; D121-R135 PolarHBondContact OD2-N 3.19Å; D121-R135 IonicContact OD2-NE 3.58Å; D121-R135 PolarHBondContact OD2-NE 3.38Å | ||
| 136 | K | 95.4 | Very high | 95.1 | Very high | 74 Ų | 74 | 52.5 Ų | 52.5 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 151.9 | 178.7 | 63.8 | 179.8 | 175.3 | -179 | 0 | 110.4 | E79 Y81 F117 V118 C132 G134 | E79-K136 IonicContact OE1-NZ 2.69Å; E79-K136 PolarHBondContact OE1-NZ 2.55Å; E79-K136 IonicContact OE2-NZ 2.68Å; E79-K136 PolarHBondContact OE2-NZ 3.08Å; Y81-K136 HydrophobicContact CE1-CD 4.29Å; F117-K136 HydrophobicContact CB-CB 4.31Å; F117-K136 HydrophobicContact CB-CD 4.4Å; F117-K136 HydrophobicContact CD1-CB 4.12Å; F117-K136 HydrophobicContact CD1-CD 3.6Å; F117-K136 HydrophobicContact CD1-CG 3.76Å; F117-K136 HydrophobicContact CE1-CD 3.97Å; F117-K136 HydrophobicContact CE1-CG 4.26Å; F117-K136 HydrophobicContact CG-CD 4.05Å; V118-K136 CarbonylContact O-C 3.58Å; V118-K136 WeakPolarHBondContact O-CA 3.38Å; C132-K136 HydrophobicContact CB-CB 4.46Å; C132-K136 HydrophobicContact CB-CD 4.14Å; G134-K136 PolarHBondContact O-N 3.12Å |
| 137 | M | 95.2 | Very high | 95.2 | Very high | 57 Ų | 57 | 48.6 Ų | 48.6 | 28% | 0.281 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.8 | 174.1 | -170.9 | 176.2 | 75 | 0 | 0 | 110.6 | M10 L91 F117 V118 L120 V139 | M10-M137 HydrophobicContact CB-CE 3.63Å; M10-M137 HydrophobicContact CB-SD 4.2Å; M10-M137 HydrophobicContact CE-CE 3.1Å; M10-M137 HydrophobicContact CG-CE 3.59Å; M10-M137 HydrophobicContact CG-SD 4.49Å; M10-M137 HydrophobicContact SD-CE 4.18Å; L91-M137 HydrophobicContact CD1-CE 4.32Å; F117-M137 CarbonylContact C-O 3.37Å; F117-M137 VanDerWaalsContact CA-O 3.25Å; F117-M137 WeakPolarHBondContact CA-O 3.39Å; V118-M137 PolarHBondContact N-O 3.44Å; V118-M137 PolarHBondContact O-N 2.99Å; L120-M137 HydrophobicContact CD1-CB 4.13Å; L120-M137 HydrophobicContact CD2-CB 4.18Å; L120-M137 HydrophobicContact CG-CB 4.28Å; M137-V139 HydrophobicContact CE-CG1 3.98Å |
| 138 | F | 97.2 | Very high | 95.2 | Very high | 31 Ų | 31 | 48.5 Ų | 48.5 | 14% | 0.136 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 132.1 | 174.2 | 179.4 | -118.3 | 0 | 0 | 0 | 110.2 | L73 K75 S115 V116 F117 G140 N141 V172 | L73-F138 HydrophobicContact CB-CE1 4.01Å; L73-F138 HydrophobicContact CB-CZ 4.3Å; L73-F138 HydrophobicContact CD1-CE1 4.25Å; L73-F138 HydrophobicContact CD1-CZ 4.46Å; K75-F138 HydrophobicContact CG-CD2 4.22Å; K75-F138 HydrophobicContact CG-CE1 4.38Å; K75-F138 HydrophobicContact CG-CE2 4.09Å; K75-F138 HydrophobicContact CG-CG 4.42Å; K75-F138 HydrophobicContact CG-CZ 4.16Å; S115-F138 WeakPolarHBondContact OG-CE2 3.45Å; V116-F138 WeakPolarHBondContact O-CD2 3.49Å; F117-F138 HydrophobicContact CD1-CB 3.9Å; F117-F138 HydrophobicContact CD2-CD2 4.34Å; F117-F138 HydrophobicContact CE1-CB 3.55Å; F117-F138 HydrophobicContact CE1-CD2 4.14Å; F117-F138 HydrophobicContact CE1-CG 4.26Å; F117-F138 AromaticContact CE2-CD2 3.93Å; F117-F138 HydrophobicContact CE2-CD2 3.93Å; F117-F138 HydrophobicContact CZ-CB 4.06Å; F117-F138 AromaticContact CZ-CD2 3.83Å; F117-F138 HydrophobicContact CZ-CD2 3.83Å; F117-F138 HydrophobicContact CZ-CG 4.29Å; F138-G140 VanDerWaalsContact CE2-C 3.41Å; F138-G140 WeakPolarHBondContact CE2-O 3.44Å; F138-G140 VanDerWaalsContact CZ-C 3.47Å; F138-N141 WeakPolarHBondContact CE2-OD1 3.4Å; F138-N141 WeakPolarHBondContact CZ-OD1 3.1Å; F138-V172 HydrophobicContact CD1-CG2 3.6Å; F138-V172 HydrophobicContact CE1-CG2 3.78Å |
| 139 | V | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | -16.9 | 178.9 | -68.6 | 0 | 0 | 0 | 0 | 113.5 | M10 V90 L91 V116 V118 M137 V172 | M10-V139 HydrophobicContact CE-CG1 4.07Å; V90-V139 HydrophobicContact CB-CG2 4.42Å; V90-V139 HydrophobicContact CG1-CB 4.1Å; V90-V139 HydrophobicContact CG1-CG2 3.82Å; L91-V139 HydrophobicContact CD2-CB 4.41Å; L91-V139 HydrophobicContact CD2-CG1 4.05Å; L91-V139 HydrophobicContact CG-CG1 4.31Å; V116-V139 HydrophobicContact CB-CG2 3.87Å; V116-V139 HydrophobicContact CG1-CG2 3.63Å; V116-V139 WeakPolarHBondContact O-CG2 3.24Å; V116-V139 PolarHBondContact O-N 3.23Å; V118-V139 HydrophobicContact CG2-CG1 3.52Å; V118-V139 HydrophobicContact CG2-CG2 4.25Å; M137-V139 HydrophobicContact CE-CG1 3.98Å; V139-V172 PolarHBondContact O-N 3.44Å |
| 140 | G | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.5 | 176.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V116 F138 A170 | V116-G140 PolarHBondContact N-O 2.99Å; F138-G140 VanDerWaalsContact CE2-C 3.41Å; F138-G140 WeakPolarHBondContact CE2-O 3.44Å; F138-G140 VanDerWaalsContact CZ-C 3.47Å; G140-A170 CarbonylContact C-O 3.53Å; G140-A170 WeakPolarHBondContact CA-O 3.31Å |
| 141 | N | 98.5 | Very high | 94.6 | Very high | 15 Ų | 15 | 38.8 Ų | 38.8 | 8% | 0.08 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 157 | 171.8 | -62.2 | -34.7 | 0 | 0 | 0 | 111.2 | E74 Q76 V114 S115 F138 M168 T169 A170 | E74-N141 PolarHBondContact O-ND2 2.9Å; Q76-N141 HydrophobicContact CG-CB 4.39Å; V114-N141 CarbonylContact O-C 3.55Å; V114-N141 VanDerWaalsContact O-CA 3.26Å; V114-N141 WeakPolarHBondContact O-CA 3.36Å; S115-N141 PolarHBondContact OG-OD1 3.45Å; F138-N141 WeakPolarHBondContact CE2-OD1 3.4Å; F138-N141 WeakPolarHBondContact CZ-OD1 3.1Å; N141-M168 WeakPolarHBondContact O-CE 3.48Å; N141-T169 PolarHBondContact O-N 3.34Å; N141-T169 PolarHBondContact O-OG1 2.89Å; N141-A170 HydrophobicContact CB-CB 4.47Å; N141-A170 PolarHBondContact N-O 2.98Å; N141-A170 PolarHBondContact O-N 2.93Å |
| 142 | G | 98.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | -177.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N113 V114 R167 | N113-G142 WeakPolarHBondContact CA-O 3.24Å; V114-G142 PolarHBondContact N-O 3.34Å; V114-G142 PolarHBondContact O-N 2.89Å; G142-R167 CarbonylContact C-O 3.47Å; G142-R167 WeakPolarHBondContact CA-O 3.18Å |
| 143 | V | 98 | Very high | 93.7 | Very high | 19 Ų | 19 | 40.4 Ų | 40.4 | 12% | 0.115 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126.8 | 178.9 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | Q112 N113 G145 V166 R167 T169 | Q112-V143 WeakPolarHBondContact O-CA 3.34Å; N113-V143 WeakPolarHBondContact OD1-CG2 3.49Å; V143-G145 PolarHBondContact O-N 2.71Å; V143-V166 WeakPolarHBondContact O-CA 3.31Å; V143-R167 PolarHBondContact N-O 2.84Å; V143-R167 PolarHBondContact O-N 3.46Å; V143-T169 HydrophobicContact CG2-CG2 3.81Å |
| 144 | C | 97.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 124.5 | 174.7 | -77.8 | 0 | 0 | 0 | 0 | 110.9 | F108 Y109 G111 Q112 V114 G165 | F108-C144 HydrophobicContact CD2-CB 4.28Å; F108-C144 VanDerWaalsContact CD2-SG 3.58Å; Y109-C144 VanDerWaalsContact O-CB 3.27Å; Y109-C144 WeakPolarHBondContact O-CB 3.39Å; G111-C144 PolarHBondContact N-O 3.15Å; Q112-C144 PolarHBondContact O-N 3.3Å; V114-C144 WeakPolarHBondContact CG1-SG 3.42Å; C144-G165 CarbonylContact C-O 3.59Å; C144-G165 WeakPolarHBondContact CA-O 3.38Å |
| 145 | G | 95.3 | Very high | 91.5 | Very high | 20 Ų | 20 | 41.4 Ų | 41.4 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -89.5 | -11.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K110 V143 P164 G165 | K110-G145 WeakPolarHBondContact CD-O 3.27Å; K110-G145 WeakPolarHBondContact CE-O 3.32Å; K110-G145 WeakPolarHBondContact CG-O 3.45Å; V143-G145 PolarHBondContact O-N 2.71Å; G145-P164 WeakPolarHBondContact CA-O 3.39Å; G145-G165 PolarHBondContact N-O 3Å |
| 146 | V | 93.4 | Very high | 89.8 | Confident | 15 Ų | 15 | 44.4 Ų | 44.4 | 9% | 0.091 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -139.9 | 161.6 | -173.8 | -59.8 | 0 | 0 | 0 | 0 | 110.9 | P98 I151 | P98-V146 HydrophobicContact CG-CG1 4.4Å; V146-I151 HydrophobicContact CG2-CD1 3.42Å; V146-I151 VanDerWaalsContact CG2-CD1 3.42Å; V146-I151 HydrophobicContact CG2-CG1 3.82Å |
| 147 | N | 93.3 | Very high | 87.6 | Confident | 56 Ų | 56 | 50.6 Ų | 50.6 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | trans | -85 | 155.1 | 170.9 | -54.4 | -64 | 0 | 0 | 0 | 110.8 | K110 S149 D150 | K110-N147 PolarHBondContact N-OD1 3.13Å; N147-S149 VanDerWaalsContact C-N 3.26Å; N147-S149 PolarHBondContact O-N 3.47Å; N147-D150 VanDerWaalsContact CB-OD2 3.27Å; N147-D150 WeakPolarHBondContact CB-OD2 3.39Å; N147-D150 PolarHBondContact N-OD2 2.9Å; N147-D150 PolarHBondContact ND2-OD2 3.37Å; N147-D150 VanDerWaalsContact ND2-OD2 3.13Å; N147-D150 WeakPolarHBondContact O-CB 3.4Å; N147-D150 PolarHBondContact O-N 3.22Å; N147-D150 VanDerWaalsContact O-N 3.1Å | ||
| 148 | R | 92.4 | Very high | 85.4 | Confident | 19 Ų | 19 | 54.2 Ų | 54.2 | 7% | 0.072 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57 | -39.5 | 176.1 | -175.3 | -179.3 | 174.2 | 87.2 | 9.4 | 112.9 | S104 F108 G127 W128 D150 I151 F152 | S104-R148 PolarHBondContact OG-NH1 3.11Å; F108-R148 HydrophobicContact CD1-CB 4.18Å; F108-R148 HydrophobicContact CD1-CG 4.43Å; F108-R148 HydrophobicContact CD2-CB 4.2Å; F108-R148 HydrophobicContact CE1-CB 3.96Å; F108-R148 HydrophobicContact CE1-CG 3.96Å; F108-R148 HydrophobicContact CE2-CB 3.97Å; F108-R148 HydrophobicContact CG-CB 4.29Å; F108-R148 HydrophobicContact CZ-CB 3.84Å; F108-R148 HydrophobicContact CZ-CG 4.11Å; F108-R148 WeakPolarHBondContact O-CB 3.23Å; F108-R148 PolarHBondContact O-N 3.36Å; G127-R148 PolarHBondContact O-NH2 3.07Å; W128-R148 PolarHBondContact O-NH1 3.23Å; W128-R148 PolarHBondContact O-NH2 2.88Å; R148-D150 PolarHBondContact O-N 2.91Å; R148-I151 PolarHBondContact O-N 2.73Å; R148-F152 HydrophobicContact CG-CD2 3.68Å; R148-F152 HydrophobicContact CG-CE2 4.14Å; R148-F152 WeakPolarHBondContact O-CD2 3.36Å; R148-F152 PolarHBondContact O-N 3.25Å |
| 149 | S | 90.4 | Very high | 83.3 | Confident | 62 Ų | 62 | 57.7 Ų | 57.7 | 43% | 0.434 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -56.4 | -37 | 177.2 | 47.2 | 0 | 0 | 0 | 0 | 112.4 | N147 I151 C153 A154 | N147-S149 VanDerWaalsContact C-N 3.26Å; N147-S149 PolarHBondContact O-N 3.47Å; S149-I151 PolarHBondContact O-N 3.2Å; S149-C153 WeakPolarHBondContact O-CA 3.5Å; S149-C153 VanDerWaalsContact O-CB 3.27Å; S149-C153 WeakPolarHBondContact O-CB 3.43Å; S149-C153 PolarHBondContact O-N 2.9Å; S149-A154 PolarHBondContact O-N 3.41Å |
| 150 | D | 88.6 | Confident | 81.2 | Confident | 81 Ų | 81 | 63.8 Ų | 63.8 | 43% | 0.433 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -72.3 | -23.6 | -172.5 | -49 | -21.5 | 0 | 0 | 0 | 111.3 | N147 R148 A154 | N147-D150 VanDerWaalsContact CB-OD2 3.27Å; N147-D150 WeakPolarHBondContact CB-OD2 3.39Å; N147-D150 PolarHBondContact N-OD2 2.9Å; N147-D150 PolarHBondContact ND2-OD2 3.37Å; N147-D150 VanDerWaalsContact ND2-OD2 3.13Å; N147-D150 WeakPolarHBondContact O-CB 3.4Å; N147-D150 PolarHBondContact O-N 3.22Å; N147-D150 VanDerWaalsContact O-N 3.1Å; R148-D150 PolarHBondContact O-N 2.91Å; D150-A154 VanDerWaalsContact O-CB 3.23Å; D150-A154 WeakPolarHBondContact O-CB 3.43Å |
| 151 | I | 88 | Confident | 79.4 | Confident | 27 Ų | 27 | 66.5 Ų | 66.5 | 14% | 0.138 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -90.8 | -45.3 | 178.6 | -59 | 164.8 | 0 | 0 | 0 | 111.4 | P98 I101 F108 V146 R148 S149 | P98-I151 HydrophobicContact CB-CG1 4.17Å; I101-I151 HydrophobicContact CB-CD1 4.47Å; I101-I151 HydrophobicContact CD1-CD1 3.68Å; F108-I151 HydrophobicContact CE2-CD1 4.09Å; F108-I151 HydrophobicContact CZ-CD1 3.82Å; V146-I151 HydrophobicContact CG2-CD1 3.42Å; V146-I151 VanDerWaalsContact CG2-CD1 3.42Å; V146-I151 HydrophobicContact CG2-CG1 3.82Å; R148-I151 PolarHBondContact O-N 2.73Å; S149-I151 PolarHBondContact O-N 3.2Å |
| 152 | F | 88.2 | Confident | 78 | Confident | 52 Ų | 52 | 72.5 Ų | 72.5 | 23% | 0.228 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -106.4 | -15.8 | -166.7 | -61 | -65.9 | 0 | 0 | 0 | 114.9 | I101 I102 F108 L126 G127 R148 | I101-F152 HydrophobicContact CG2-CE2 4.38Å; I101-F152 HydrophobicContact CG2-CZ 4.04Å; I102-F152 WeakPolarHBondContact O-CE1 3.43Å; I102-F152 WeakPolarHBondContact O-CZ 3.4Å; F108-F152 HydrophobicContact CZ-CE2 4.49Å; L126-F152 HydrophobicContact CD1-CD1 4.46Å; L126-F152 HydrophobicContact CD1-CE1 3.83Å; L126-F152 HydrophobicContact CG-CD1 4.37Å; L126-F152 HydrophobicContact CG-CE1 4.14Å; G127-F152 VanDerWaalsContact CA-CE1 3.49Å; G127-F152 VanDerWaalsContact N-CE1 3.28Å; R148-F152 HydrophobicContact CG-CD2 3.68Å; R148-F152 HydrophobicContact CG-CE2 4.14Å; R148-F152 WeakPolarHBondContact O-CD2 3.36Å; R148-F152 PolarHBondContact O-N 3.25Å |
| 153 | C | 84.2 | Confident | 77.4 | Confident | 105 Ų | 105 | 75.7 Ų | 75.7 | 71% | 0.709 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | -13.3 | -179.9 | -55 | 0 | 0 | 0 | 0 | 113.1 | S149 | S149-C153 WeakPolarHBondContact O-CA 3.5Å; S149-C153 VanDerWaalsContact O-CB 3.27Å; S149-C153 WeakPolarHBondContact O-CB 3.43Å; S149-C153 PolarHBondContact O-N 2.9Å |
| 154 | A | 72.5 | Confident | 77.1 | Confident | 31 Ų | 31 | 76.2 Ų | 76.2 | 26% | 0.256 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -69.4 | 143.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S149 D150 L158 | S149-A154 PolarHBondContact O-N 3.41Å; D150-A154 VanDerWaalsContact O-CB 3.23Å; D150-A154 WeakPolarHBondContact O-CB 3.43Å; A154-L158 HydrophobicContact CB-CB 4.42Å |
| 155 | P | 66 | Low | 76.9 | Confident | 100 Ų | 100 | 76.1 Ų | 76.1 | 65% | 0.649 | 42% | 0.418 | S | S | * | . | trans | -53.4 | 144.5 | 167.5 | -21 | 30.7 | 0 | 0 | 0 | 110.3 | K157 L158 | P155-K157 PolarHBondContact O-N 2.65Å; P155-L158 PolarHBondContact O-N 2.74Å | ||
| 156 | Q | 59.4 | Low | 77 | Confident | 165 Ų | 165 | 75.1 Ų | 75.1 | 77% | 0.771 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -52 | -14.1 | -168.3 | -67.6 | 169.9 | 0.2 | 0 | 0 | 116 | K159 | Q156-K159 WeakPolarHBondContact O-CG 3.48Š|
| 157 | K | 49.5 | Very low | 77.2 | Confident | 205 Ų | 205 | 79.1 Ų | 79.1 | 89% | 0.891 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -88.7 | -12.8 | -174.9 | -67.8 | -173.7 | 176.9 | -178.3 | 0 | 116.2 | P155 K159 | P155-K157 PolarHBondContact O-N 2.65Å; K157-K159 VanDerWaalsContact C-N 3.26Å; K157-K159 PolarHBondContact O-N 3.03Å |
| 158 | L | 49.9 | Very low | 77.4 | Confident | 133 Ų | 133 | 76.4 Ų | 76.4 | 70% | 0.696 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -85.9 | 8.3 | 175.2 | -90.4 | 151.8 | 0 | 0 | 0 | 113.9 | A154 P155 I160 | A154-L158 HydrophobicContact CB-CB 4.42Å; P155-L158 PolarHBondContact O-N 2.74Å; L158-I160 PolarHBondContact O-N 2.98Å; L158-I160 VanDerWaalsContact O-N 3.08Å |
| 159 | K | 52.2 | Low | 77.6 | Confident | 103 Ų | 103 | 77 Ų | 77 | 45% | 0.448 | 41% | 0.413 | S | S | . | . | trans | -74.9 | 9.5 | -173.6 | -70.3 | -174.8 | 176.9 | -178.1 | 0 | 115.4 | R99 Q156 K157 | R99-K159 PolarHBondContact NE-O 3.12Å; R99-K159 PolarHBondContact NH2-O 3.26Å; Q156-K159 WeakPolarHBondContact O-CG 3.48Å; K157-K159 VanDerWaalsContact C-N 3.26Å; K157-K159 PolarHBondContact O-N 3.03Å | ||
| 160 | I | 52.8 | Low | 77.9 | Confident | 129 Ų | 129 | 74.2 Ų | 74.2 | 66% | 0.662 | 39% | 0.394 | S | S | * | . | trans | -114.5 | 81.7 | 171.6 | -53.2 | 172.1 | 0 | 0 | 0 | 106.3 | R99 L158 | R99-I160 VanDerWaalsContact NH2-CG1 3.28Å; L158-I160 PolarHBondContact O-N 2.98Å; L158-I160 VanDerWaalsContact O-N 3.08Å | ||
| 161 | C | 59.6 | Low | 78.3 | Confident | 56 Ų | 56 | 70.6 Ų | 70.6 | 38% | 0.378 | 38% | 0.375 | S | S | . | . | trans | -101.3 | 117.6 | 161.2 | -159.9 | 0 | 0 | 0 | 0 | 105.7 | P98 S163 | P98-C161 HydrophobicContact CG-CB 4.33Å; C161-S163 PolarHBondContact O-N 3.14Å | ||
| 162 | D | 70.1 | Confident | 78.7 | Confident | 142 Ų | 142 | 70.4 Ų | 70.4 | 76% | 0.759 | 38% | 0.375 | S | S | * | . | trans | -69.1 | -12.2 | 173.2 | -65.1 | -33.3 | 0 | 0 | 0 | 111.4 | ||||
| 163 | S | 84 | Confident | 79.1 | Confident | 67 Ų | 67 | 69.5 Ų | 69.5 | 47% | 0.469 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -76 | 140.8 | 173.2 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | P98 C161 | P98-S163 WeakPolarHBondContact CD-O 3.48Å; C161-S163 PolarHBondContact O-N 3.14Å |
| 164 | P | 91.8 | Very high | 79.6 | Confident | 30 Ų | 30 | 64.6 Ų | 64.6 | 20% | 0.195 | 34% | 0.337 | C | S | . | . | trans | -55.4 | 139 | 172.8 | -27.5 | 35.9 | 0 | 0 | 0 | 113 | D95 G145 R167 | D95-P164 HydrophobicContact CB-CB 3.81Å; D95-P164 HydrophobicContact CB-CG 3.87Å; G145-P164 WeakPolarHBondContact CA-O 3.39Å; P164-R167 HydrophobicContact CB-CB 4.31Å | ||
| 165 | G | 94.6 | Very high | 80.6 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -71.7 | -39.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V96 C144 G145 | V96-G165 CarbonylContact O-C 3.49Å; V96-G165 WeakPolarHBondContact O-CA 3.34Å; V96-G165 PolarHBondContact O-N 3.08Å; C144-G165 CarbonylContact C-O 3.59Å; C144-G165 WeakPolarHBondContact CA-O 3.38Å; G145-G165 PolarHBondContact N-O 3Å |
| 166 | V | 97.2 | Very high | 81.7 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 117.4 | 164.1 | -174.4 | 0 | 0 | 0 | 0 | 107.9 | V80 V96 I101 V114 V116 V143 M168 | V80-V166 HydrophobicContact CG1-CG2 4.22Å; V80-V166 HydrophobicContact CG2-CG2 4.37Å; V96-V166 HydrophobicContact CB-CB 4Å; V96-V166 HydrophobicContact CB-CG2 4.46Å; V96-V166 HydrophobicContact CG2-CB 4.39Å; V96-V166 PolarHBondContact N-O 2.8Å; V96-V166 PolarHBondContact O-N 2.84Å; I101-V166 HydrophobicContact CD1-CG2 4.15Å; V114-V166 HydrophobicContact CG2-CB 4.48Å; V114-V166 HydrophobicContact CG2-CG1 3.61Å; V114-V166 HydrophobicContact CG2-CG2 3.98Å; V116-V166 HydrophobicContact CG2-CB 4.4Å; V116-V166 HydrophobicContact CG2-CG1 3.99Å; V143-V166 WeakPolarHBondContact O-CA 3.31Å; V166-M168 HydrophobicContact CG1-SD 4.14Å |
| 167 | R | 95.9 | Very high | 83.1 | Confident | 98 Ų | 98 | 53.9 Ų | 53.9 | 37% | 0.37 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 119.8 | 168.6 | 179 | -179.1 | 63 | -110.4 | -0.9 | 107.9 | G142 V143 P164 T169 | G142-R167 CarbonylContact C-O 3.47Å; G142-R167 WeakPolarHBondContact CA-O 3.18Å; V143-R167 PolarHBondContact N-O 2.84Å; V143-R167 PolarHBondContact O-N 3.46Å; P164-R167 HydrophobicContact CB-CB 4.31Å; R167-T169 PolarHBondContact O-N 3.24Å |
| 168 | M | 97.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 122.8 | -176.3 | -63.4 | -59.3 | -62.7 | 0 | 0 | 109.9 | V90 D95 V96 V116 N141 V166 | V90-M168 HydrophobicContact CG1-CE 3.81Å; V90-M168 HydrophobicContact CG1-CG 4.17Å; V90-M168 HydrophobicContact CG1-SD 4.29Å; D95-M168 PolarHBondContact OD1-N 2.91Å; V96-M168 HydrophobicContact CG2-SD 4.07Å; V116-M168 HydrophobicContact CB-CE 4.19Å; V116-M168 HydrophobicContact CB-SD 4.25Å; V116-M168 HydrophobicContact CG2-CE 4.08Å; V116-M168 HydrophobicContact CG2-SD 3.61Å; N141-M168 WeakPolarHBondContact O-CE 3.48Å; V166-M168 HydrophobicContact CG1-SD 4.14Å |
| 169 | T | 97.3 | Very high | 86.4 | Confident | 30 Ų | 30 | 46.7 Ų | 46.7 | 18% | 0.184 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -40.8 | -179 | 53.7 | 0 | 0 | 0 | 0 | 111.4 | R46 D47 N141 V143 R167 | R46-T169 CarbonylContact C-O 3.58Å; R46-T169 WeakPolarHBondContact CA-O 3.45Å; D47-T169 PolarHBondContact N-O 2.95Å; N141-T169 PolarHBondContact O-N 3.34Å; N141-T169 PolarHBondContact O-OG1 2.89Å; V143-T169 HydrophobicContact CG2-CG2 3.81Å; R167-T169 PolarHBondContact O-N 3.24Å |
| 170 | A | 97.4 | Very high | 87.8 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.033 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 108.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | D47 L73 G140 N141 | D47-A170 HydrophobicContact CB-CB 4.23Å; L73-A170 HydrophobicContact CD1-CB 3.93Å; L73-A170 VanDerWaalsContact CD1-O 3.32Å; L73-A170 WeakPolarHBondContact CD1-O 3.39Å; L73-A170 HydrophobicContact CD2-CB 4.27Å; G140-A170 CarbonylContact C-O 3.53Å; G140-A170 WeakPolarHBondContact CA-O 3.31Å; N141-A170 HydrophobicContact CB-CB 4.47Å; N141-A170 PolarHBondContact N-O 2.98Å; N141-A170 PolarHBondContact O-N 2.93Å |
| 171 | C | 96.8 | Very high | 89.3 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.034 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 151 | 176.4 | -67.4 | 0 | 0 | 0 | 0 | 112.4 | H48 W173 | H48-C171 PolarHBondContact CE1-O 2.83Å; H48-C171 VanDerWaalsContact CE1-O 3.29Å; H48-C171 PolarHBondContact NE2-N 3.12Å; H48-C171 PolarHBondContact NE2-O 3.47Å; C171-W173 WeakPolarHBondContact CB-O 3.45Å; C171-W173 PolarHBondContact O-N 2.78Å |
| 172 | V | 96.6 | Very high | 90.8 | Very high | 23 Ų | 23 | 38.3 Ų | 38.3 | 14% | 0.139 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -57.6 | -35.8 | 170.7 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | P70 F71 F138 V139 | P70-V172 CarbonylContact C-O 3.51Å; P70-V172 VanDerWaalsContact CA-O 3.25Å; P70-V172 WeakPolarHBondContact CA-O 3.38Å; P70-V172 HydrophobicContact CB-CG1 3.93Å; F71-V172 WeakPolarHBondContact CD2-O 3.49Å; F71-V172 PolarHBondContact N-O 2.94Å; F138-V172 HydrophobicContact CD1-CG2 3.6Å; F138-V172 HydrophobicContact CE1-CG2 3.78Å; V139-V172 PolarHBondContact O-N 3.44Å |
| 173 | W | 95.5 | Very high | 91.5 | Very high | 34 Ų | 34 | 35.2 Ų | 35.2 | 13% | 0.129 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -116.8 | 121.6 | 171 | -65.4 | 91.8 | 0 | 0 | 0 | 109.2 | V12 P13 L15 G69 P70 L91 C171 Q175 | V12-W173 HydrophobicContact CB-CZ2 4.36Å; V12-W173 HydrophobicContact CG1-CH2 3.56Å; V12-W173 HydrophobicContact CG1-CZ2 3.49Å; V12-W173 VanDerWaalsContact CG1-CZ2 3.49Å; V12-W173 HydrophobicContact CG1-CZ3 4.17Å; V12-W173 HydrophobicContact CG2-CZ2 4.06Å; P13-W173 HydrophobicContact CG-CB 3.69Å; P13-W173 HydrophobicContact CG-CD2 3.89Å; P13-W173 HydrophobicContact CG-CE3 4.4Å; P13-W173 HydrophobicContact CG-CG 3.57Å; L15-W173 HydrophobicContact CD2-CE3 4.06Å; L15-W173 HydrophobicContact CD2-CZ3 3.67Å; G69-W173 WeakPolarHBondContact O-CZ3 3.33Å; P70-W173 HydrophobicContact CB-CD2 4.47Å; P70-W173 HydrophobicContact CB-CH2 4.11Å; P70-W173 HydrophobicContact CB-CZ2 3.73Å; P70-W173 HydrophobicContact CG-CH2 4.09Å; P70-W173 HydrophobicContact CG-CZ2 4.02Å; L91-W173 HydrophobicContact CD2-CG 4.49Å; C171-W173 WeakPolarHBondContact CB-O 3.45Å; C171-W173 PolarHBondContact O-N 2.78Å; W173-Q175 PolarHBondContact O-N 3.4Å |
| 174 | N | 95.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.011 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -81.8 | 104.6 | 175.3 | -178.9 | 20.2 | 0 | 0 | 0 | 109.2 | Y43 H48 M49 G67 S68 F71 | Y43-N174 WeakPolarHBondContact CE1-OD1 3.42Å; Y43-N174 VanDerWaalsContact CZ-OD1 3.3Å; Y43-N174 PolarHBondContact OH-OD1 3.32Å; H48-N174 HydrophobicContact CB-CB 4.46Å; M49-N174 PolarHBondContact O-ND2 3.31Å; G67-N174 CarbonylContact C-O 3.56Å; G67-N174 WeakPolarHBondContact CA-O 3.49Å; S68-N174 PolarHBondContact N-O 3.33Å; S68-N174 PolarHBondContact O-N 2.71Å; S68-N174 WeakPolarHBondContact OG-CB 3.49Å; S68-N174 PolarHBondContact OG-ND2 3.26Å; F71-N174 HydrophobicContact CD2-CB 4.47Å; F71-N174 HydrophobicContact CE2-CB 3.7Å |
| 175 | Q | 93.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | trans | -126.6 | 139.4 | 176.1 | -66.9 | -67.3 | -38.4 | 0 | 0 | 109.2 | P13 P14 S17 Y43 R46 L91 G93 W173 | P13-Q175 HydrophobicContact CB-CG 4.38Å; P13-Q175 HydrophobicContact CG-CG 4.42Å; P14-Q175 PolarHBondContact O-NE2 2.94Å; P14-Q175 VanDerWaalsContact O-NE2 3.09Å; P14-Q175 PolarHBondContact O-OE1 3.23Å; S17-Q175 PolarHBondContact OG-OE1 3.2Å; Y43-Q175 PolarHBondContact OH-O 3.11Å; R46-Q175 PolarHBondContact NH1-O 2.84Å; R46-Q175 VanDerWaalsContact NH1-O 3.12Å; L91-Q175 WeakPolarHBondContact O-CG 3.42Å; G93-Q175 WeakPolarHBondContact CA-O 3.43Å; W173-Q175 PolarHBondContact O-N 3.4Å | ||
| 176 | P | 90.1 | Very high | 91.8 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.019 | 17% | 0.169 | C | C | . | . | trans | -72 | 141.5 | 178.3 | 31.9 | -37.4 | 0 | 0 | 0 | 110.8 | L39 P51 I65 L178 | L39-P176 HydrophobicContact CD2-CB 3.58Å; P51-P176 HydrophobicContact CG-CB 4.41Å; I65-P176 HydrophobicContact CB-CG 4.32Å; I65-P176 HydrophobicContact CD1-CG 4.44Å; I65-P176 HydrophobicContact CG2-CB 4.43Å; I65-P176 HydrophobicContact CG2-CG 3.78Å; P176-L178 HydrophobicContact CB-CD2 3.86Å; P176-L178 HydrophobicContact CB-CG 4.45Å; P176-L178 HydrophobicContact CG-CD2 3.87Å; P176-L178 HydrophobicContact CG-CG 4.16Å; P176-L178 PolarHBondContact O-N 2.73Å | ||
| 177 | K | 87.7 | Confident | 91.6 | Very high | 67 Ų | 67 | 35.2 Ų | 35.2 | 29% | 0.291 | 18% | 0.175 | S | C | . | . | trans | -75.5 | 112.6 | 165.6 | -178.3 | -179.3 | -177.9 | 176.2 | 0 | 108 | D95 Y97 L181 | D95-K177 IonicContact OD2-NZ 3.57Å; Y97-K177 PolarHBondContact OH-NZ 3.19Å; K177-L181 WeakPolarHBondContact O-CD1 3.39Å | ||
| 178 | L | 86.3 | Confident | 91.4 | Very high | 13 Ų | 13 | 31.5 Ų | 31.5 | 7% | 0.068 | 16% | 0.164 | C | C | . | . | trans | -100.8 | -31.7 | -178.5 | -59.5 | -175.4 | 0 | 0 | 0 | 114 | I19 M35 I65 P176 G180 L181 P188 | I19-L178 HydrophobicContact CD1-CD1 4.36Å; I19-L178 HydrophobicContact CD1-CD2 4.11Å; I19-L178 HydrophobicContact CG1-CD1 4Å; M35-L178 HydrophobicContact CE-CD2 3.77Å; I65-L178 HydrophobicContact CD1-CD1 4.42Å; I65-L178 HydrophobicContact CD1-CD2 3.62Å; P176-L178 HydrophobicContact CB-CD2 3.86Å; P176-L178 HydrophobicContact CB-CG 4.45Å; P176-L178 HydrophobicContact CG-CD2 3.87Å; P176-L178 HydrophobicContact CG-CG 4.16Å; P176-L178 PolarHBondContact O-N 2.73Å; L178-G180 PolarHBondContact O-N 2.98Å; L178-L181 PolarHBondContact O-N 3.43Å; L178-P188 HydrophobicContact CB-CB 3.97Å; L178-P188 HydrophobicContact CB-CG 3.77Å; L178-P188 HydrophobicContact CD1-CB 4.28Å | ||
| 179 | Y | 82.4 | Confident | 91.1 | Very high | 174 Ų | 174 | 32.2 Ų | 32.2 | 68% | 0.682 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 134.6 | -179 | -68.3 | -84.8 | 0 | 0 | 0 | 111.3 | L181 | Y179-L181 VanDerWaalsContact C-N 3.33Š|
| 180 | G | 82.3 | Confident | 90.8 | Very high | 51 Ų | 51 | 35.8 Ų | 35.8 | 53% | 0.526 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -1.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L178 | L178-G180 PolarHBondContact O-N 2.98Š|
| 181 | L | 84.7 | Confident | 90.5 | Very high | 61 Ų | 61 | 38.6 Ų | 38.6 | 32% | 0.319 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | -25.4 | -177.1 | -61.6 | -173.1 | 0 | 0 | 0 | 114.7 | I38 K177 L178 Y179 | I38-L181 HydrophobicContact CG2-CB 3.98Å; I38-L181 HydrophobicContact CG2-CD1 3.58Å; I38-L181 HydrophobicContact CG2-CG 4.28Å; K177-L181 WeakPolarHBondContact O-CD1 3.39Å; L178-L181 PolarHBondContact O-N 3.43Å; Y179-L181 VanDerWaalsContact C-N 3.33Å |
| 182 | I | 89.1 | Confident | 90.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -127.9 | 11.7 | -167.1 | 67.7 | 175.3 | 0 | 0 | 0 | 113.7 | I19 M35 I38 D184 W185 G186 P188 | I19-I182 HydrophobicContact CB-CD1 4.24Å; I19-I182 HydrophobicContact CD1-CD1 3.64Å; I19-I182 HydrophobicContact CG1-CD1 3.72Å; I19-I182 HydrophobicContact CG2-CD1 3.52Å; M35-I182 HydrophobicContact CE-CG2 4.49Å; M35-I182 HydrophobicContact SD-CG2 3.75Å; I38-I182 HydrophobicContact CD1-CG2 4.26Å; I182-D184 PolarHBondContact O-N 3.31Å; I182-W185 HydrophobicContact CB-CD2 4.37Å; I182-W185 HydrophobicContact CB-CH2 4.17Å; I182-W185 HydrophobicContact CB-CZ2 3.64Å; I182-W185 HydrophobicContact CG2-CH2 3.85Å; I182-W185 HydrophobicContact CG2-CZ2 3.27Å; I182-W185 PolarHBondContact O-N 3.28Å; I182-W185 VanDerWaalsContact O-N 3.12Å; I182-G186 CarbonylContact O-C 3.11Å; I182-G186 WeakPolarHBondContact O-CA 3.48Å; I182-G186 PolarHBondContact O-N 2.8Å; I182-P188 HydrophobicContact CD1-CG 3.8Å; I182-P188 HydrophobicContact CG1-CG 4.13Å |
| 183 | E | 86.4 | Confident | 90 | Very high | 76 Ų | 76 | 42.7 Ų | 42.7 | 36% | 0.355 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -14.4 | -164.5 | -52 | -177.4 | 149 | 0 | 0 | 114.5 | K251 | E183-K251 HydrophobicContact CB-CD 3.8Å; E183-K251 VanDerWaalsContact CD-NZ 3.33Å; E183-K251 WeakPolarHBondContact O-CB 3.21Å; E183-K251 IonicContact OE1-NZ 3.6Å; E183-K251 WeakPolarHBondContact OE2-CE 3.13Å; E183-K251 IonicContact OE2-NZ 2.71Å; E183-K251 PolarHBondContact OE2-NZ 3.13Å |
| 184 | D | 89.8 | Confident | 89.9 | Confident | 64 Ų | 64 | 41 Ų | 41 | 34% | 0.342 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -18.1 | 178.5 | 62.3 | -54 | 0 | 0 | 0 | 114.1 | K25 R34 I182 | K25-D184 WeakPolarHBondContact CD-O 3.45Å; R34-D184 IonicContact CZ-OD2 2.72Å; R34-D184 VanDerWaalsContact CZ-OD2 3.24Å; R34-D184 IonicContact NH1-OD2 3.29Å; R34-D184 PolarHBondContact NH1-OD2 3.24Å; R34-D184 IonicContact NH2-OD1 3.24Å; R34-D184 PolarHBondContact NH2-OD1 3.22Å; R34-D184 IonicContact NH2-OD2 2.9Å; R34-D184 PolarHBondContact NH2-OD2 3.1Å; I182-D184 PolarHBondContact O-N 3.31Å |
| 185 | W | 92.7 | Very high | 89.8 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -138.8 | -10.2 | -175.8 | 62.4 | -92.5 | 0 | 0 | 0 | 114.9 | I19 V21 H22 L26 A31 R34 M35 I38 L63 I182 | I19-W185 HydrophobicContact CG2-CZ3 4.21Å; V21-W185 HydrophobicContact CG1-CE3 4.49Å; V21-W185 HydrophobicContact CG2-CZ3 4.28Å; H22-W185 VanDerWaalsContact CB-O 3.31Å; H22-W185 WeakPolarHBondContact CB-O 3.35Å; H22-W185 PolarHBondContact N-O 3.17Å; L26-W185 HydrophobicContact CB-CB 4.27Å; L26-W185 HydrophobicContact CD2-CB 3.94Å; L26-W185 HydrophobicContact CD2-CD2 3.85Å; L26-W185 HydrophobicContact CD2-CE3 3.97Å; L26-W185 HydrophobicContact CD2-CG 3.85Å; A31-W185 HydrophobicContact CB-CE3 4.04Å; A31-W185 HydrophobicContact CB-CZ3 3.85Å; R34-W185 HydrophobicContact CG-CZ2 4.47Å; M35-W185 HydrophobicContact CB-CH2 4.01Å; M35-W185 HydrophobicContact CB-CZ2 4.46Å; M35-W185 HydrophobicContact CG-CH2 4.47Å; M35-W185 HydrophobicContact SD-CH2 3.94Å; M35-W185 HydrophobicContact SD-CZ2 4.16Å; I38-W185 HydrophobicContact CD1-CZ2 4.2Å; L63-W185 HydrophobicContact CD1-CH2 4.45Å; L63-W185 HydrophobicContact CD1-CZ3 4.26Å; I182-W185 HydrophobicContact CB-CD2 4.37Å; I182-W185 HydrophobicContact CB-CH2 4.17Å; I182-W185 HydrophobicContact CB-CZ2 3.64Å; I182-W185 HydrophobicContact CG2-CH2 3.85Å; I182-W185 HydrophobicContact CG2-CZ2 3.27Å; I182-W185 PolarHBondContact O-N 3.28Å; I182-W185 VanDerWaalsContact O-N 3.12Å |
| 186 | G | 93.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 165.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R20 I182 | R20-G186 CarbonylContact O-C 3.39Å; R20-G186 VanDerWaalsContact O-CA 3.24Å; R20-G186 WeakPolarHBondContact O-CA 3.46Å; I182-G186 CarbonylContact O-C 3.11Å; I182-G186 WeakPolarHBondContact O-CA 3.48Å; I182-G186 PolarHBondContact O-N 2.8Å |
| 187 | F | 92.9 | Very high | 89.7 | Confident | 28 Ų | 28 | 47.3 Ų | 47.3 | 12% | 0.123 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 115.6 | -179.4 | -159.7 | -72 | 0 | 0 | 0 | 109.5 | R20 Q189 P215 N248 | R20-F187 PolarHBondContact N-O 3.27Å; R20-F187 PolarHBondContact O-N 3.06Å; F187-Q189 HydrophobicContact CD1-CB 4.01Å; F187-Q189 PolarHBondContact O-N 3.16Å; F187-Q189 VanDerWaalsContact O-N 3.12Å; F187-P215 HydrophobicContact CZ-CG 4.34Å; F187-N248 HydrophobicContact CE2-CB 4.47Å |
| 188 | P | 92.3 | Very high | 89.9 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 13% | 0.13 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 113.8 | 171.2 | -17.3 | 30.2 | 0 | 0 | 0 | 109.5 | L178 I182 | L178-P188 HydrophobicContact CB-CB 3.97Å; L178-P188 HydrophobicContact CB-CG 3.77Å; L178-P188 HydrophobicContact CD1-CB 4.28Å; I182-P188 HydrophobicContact CD1-CG 3.8Å; I182-P188 HydrophobicContact CG1-CG 4.13Å |
| 189 | Q | 91.2 | Very high | 90.2 | Very high | 15 Ų | 15 | 48.9 Ų | 48.9 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | trans | -147.1 | 136.8 | -170.3 | -168.9 | 169 | -4.5 | 0 | 0 | 109.9 | T18 F187 S193 I194 G217 | T18-Q189 WeakPolarHBondContact CB-O 3.42Å; T18-Q189 PolarHBondContact O-N 3.08Å; T18-Q189 VanDerWaalsContact O-N 3.11Å; T18-Q189 VanDerWaalsContact O-O 3.13Å; T18-Q189 PolarHBondContact OG1-O 2.71Å; F187-Q189 HydrophobicContact CD1-CB 4.01Å; F187-Q189 PolarHBondContact O-N 3.16Å; F187-Q189 VanDerWaalsContact O-N 3.12Å; Q189-S193 PolarHBondContact NE2-O 3.29Å; Q189-I194 HydrophobicContact CB-CD1 4.05Å; Q189-I194 HydrophobicContact CB-CG1 3.77Å; Q189-I194 HydrophobicContact CG-CD1 4.46Å; Q189-I194 HydrophobicContact CG-CG1 3.64Å; Q189-G217 PolarHBondContact NE2-O 3.01Å; Q189-G217 PolarHBondContact OE1-O 3.36Å | ||
| 190 | N | 90.8 | Very high | 90.6 | Very high | 105 Ų | 105 | 44.8 Ų | 44.8 | 56% | 0.561 | 26% | 0.259 | S | S | * | . | trans | -65.6 | 140.2 | 176 | -63.7 | -38.2 | 0 | 0 | 0 | 110.8 | S193 I194 | N190-S193 WeakPolarHBondContact O-CA 3.34Å; N190-S193 WeakPolarHBondContact O-CB 3.21Å; N190-S193 PolarHBondContact O-N 3.07Å; N190-I194 PolarHBondContact O-N 2.85Å | ||
| 191 | L | 91.9 | Very high | 91.1 | Very high | 63 Ų | 63 | 45.7 Ų | 45.7 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -47.9 | -46.7 | -178.5 | -175.7 | 63 | 0 | 0 | 0 | 114.8 | T18 L59 S193 I194 L195 | T18-L191 HydrophobicContact CG2-CB 4.25Å; T18-L191 HydrophobicContact CG2-CD1 4.49Å; T18-L191 PolarHBondContact OG1-N 3.3Å; L59-L191 HydrophobicContact CD1-CD1 3.6Å; L191-S193 PolarHBondContact O-N 3.43Å; L191-I194 PolarHBondContact O-N 3.32Å; L191-L195 PolarHBondContact O-N 2.9Å |
| 192 | P | 90 | Very high | 91.6 | Very high | 79 Ų | 79 | 43 Ų | 43 | 51% | 0.513 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.1 | -33.7 | 178.2 | -24.8 | 35.5 | 0 | 0 | 0 | 113.3 | L195 C196 | P192-L195 PolarHBondContact O-N 3.07Å; P192-C196 PolarHBondContact O-N 3.29Å; P192-C196 PolarHBondContact O-SG 2.93Å |
| 193 | S | 91.3 | Very high | 91.9 | Very high | 34 Ų | 34 | 48 Ų | 48 | 24% | 0.238 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -74.6 | -28 | 177.6 | -72.1 | 0 | 0 | 0 | 0 | 113.3 | Q189 N190 L191 K218 | Q189-S193 PolarHBondContact NE2-O 3.29Å; N190-S193 WeakPolarHBondContact O-CA 3.34Å; N190-S193 WeakPolarHBondContact O-CB 3.21Å; N190-S193 PolarHBondContact O-N 3.07Å; L191-S193 PolarHBondContact O-N 3.43Å; S193-K218 PolarHBondContact OG-NZ 3.05Å |
| 194 | I | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -73 | -44.2 | 171.7 | -56.3 | 174.3 | 0 | 0 | 0 | 109 | R20 L59 V62 Q189 N190 L191 C196 G197 H221 | R20-I194 HydrophobicContact CB-CD1 3.94Å; R20-I194 HydrophobicContact CB-CG1 4.16Å; R20-I194 HydrophobicContact CG-CG2 4.47Å; L59-I194 HydrophobicContact CD1-CG2 4.34Å; V62-I194 HydrophobicContact CG1-CD1 4.29Å; V62-I194 HydrophobicContact CG2-CD1 3.99Å; V62-I194 HydrophobicContact CG2-CG2 3.66Å; Q189-I194 HydrophobicContact CB-CD1 4.05Å; Q189-I194 HydrophobicContact CB-CG1 3.77Å; Q189-I194 HydrophobicContact CG-CD1 4.46Å; Q189-I194 HydrophobicContact CG-CG1 3.64Å; N190-I194 PolarHBondContact O-N 2.85Å; L191-I194 PolarHBondContact O-N 3.32Å; I194-C196 PolarHBondContact O-N 2.72Å; I194-G197 PolarHBondContact O-N 3.26Å; I194-H221 PolarHBondContact O-CE1 2.95Å; I194-H221 PolarHBondContact O-ND1 3.13Å |
| 195 | L | 92 | Very high | 92.6 | Very high | 83 Ų | 83 | 47.8 Ų | 47.8 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -56.2 | -36.7 | 180 | -176.1 | 61.4 | 0 | 0 | 0 | 112.2 | L59 L191 P192 G197 H198 V199 | L59-L195 HydrophobicContact CD2-CD1 4.36Å; L191-L195 PolarHBondContact O-N 2.9Å; P192-L195 PolarHBondContact O-N 3.07Å; L195-G197 VanDerWaalsContact C-N 3.26Å; L195-G197 PolarHBondContact O-N 3.28Å; L195-H198 PolarHBondContact O-N 3.41Å; L195-H198 VanDerWaalsContact O-N 3.12Å; L195-V199 HydrophobicContact CD1-CG2 4.1Å; L195-V199 HydrophobicContact CG-CG2 3.98Å; L195-V199 WeakPolarHBondContact O-CG2 3.46Å; L195-V199 PolarHBondContact O-N 2.96Å |
| 196 | C | 90.7 | Very high | 92.7 | Very high | 54 Ų | 54 | 51.6 Ų | 51.6 | 37% | 0.365 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -52 | -41.3 | 174.7 | -64.4 | 0 | 0 | 0 | 0 | 113.6 | P192 I194 L200 K218 | P192-C196 PolarHBondContact O-N 3.29Å; P192-C196 PolarHBondContact O-SG 2.93Å; I194-C196 PolarHBondContact O-N 2.72Å; C196-L200 WeakPolarHBondContact O-CB 3.34Å; C196-L200 PolarHBondContact O-N 3.14Å; C196-K218 HydrophobicContact CB-CD 4.16Å; C196-K218 VanDerWaalsContact SG-CE 3.56Å |
| 197 | G | 91.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I194 L195 L200 S201 P202 L225 | I194-G197 PolarHBondContact O-N 3.26Å; L195-G197 VanDerWaalsContact C-N 3.26Å; L195-G197 PolarHBondContact O-N 3.28Å; G197-L200 PolarHBondContact O-N 3.3Å; G197-S201 PolarHBondContact O-N 3.31Å; G197-S201 VanDerWaalsContact O-N 3.1Å; G197-P202 WeakPolarHBondContact O-CD 3.26Å; G197-L225 VanDerWaalsContact C-CD1 3.41Å; G197-L225 VanDerWaalsContact O-CD1 3.26Å; G197-L225 WeakPolarHBondContact O-CD1 3.49Å |
| 198 | H | 93.3 | Very high | 92.4 | Very high | 48 Ų | 48 | 54.8 Ų | 54.8 | 22% | 0.222 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.3 | -40.5 | 176.1 | -72 | -76.2 | 0 | 0 | 0 | 112.7 | L59 D61 L195 L200 S201 H221 | L59-H198 HydrophobicContact CD2-CB 4.34Å; D61-H198 IonicContact OD1-CD2 3.29Å; D61-H198 IonicContact OD1-CE1 3.9Å; D61-H198 PolarHBondContact OD1-CE1 3.26Å; D61-H198 IonicContact OD1-NE2 3.33Å; D61-H198 PolarHBondContact OD1-NE2 2.83Å; D61-H198 IonicContact OD2-CE1 2.71Å; D61-H198 IonicContact OD2-NE2 3.67Å; D61-H198 PolarHBondContact OD2-NE2 3.31Å; D61-H198 VanDerWaalsContact OD2-NE2 3.11Å; L195-H198 PolarHBondContact O-N 3.41Å; L195-H198 VanDerWaalsContact O-N 3.12Å; H198-L200 VanDerWaalsContact C-N 3.33Å; H198-S201 PolarHBondContact O-N 2.88Å; H198-S201 VanDerWaalsContact O-N 3.12Å; H198-S201 PolarHBondContact O-OG 3.5Å; H198-H221 AromaticContact CD2-CE1 3.64Å; H198-H221 AromaticContact NE2-CE1 3.7Å; H198-H221 AromaticContact NE2-NE2 3.63Å |
| 199 | V | 91.3 | Very high | 92.2 | Very high | 65 Ų | 65 | 57.9 Ų | 57.9 | 39% | 0.394 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 176 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L195 S201 | L195-V199 HydrophobicContact CD1-CG2 4.1Å; L195-V199 HydrophobicContact CG-CG2 3.98Å; L195-V199 WeakPolarHBondContact O-CG2 3.46Å; L195-V199 PolarHBondContact O-N 2.96Å; V199-S201 PolarHBondContact O-N 3.18Å |
| 200 | L | 91.2 | Very high | 92.2 | Very high | 88 Ų | 88 | 58.1 Ų | 58.1 | 46% | 0.461 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.5 | -32.2 | 173.6 | -177.7 | 64 | 0 | 0 | 0 | 111.8 | C196 G197 H198 I208 I222 | C196-L200 WeakPolarHBondContact O-CB 3.34Å; C196-L200 PolarHBondContact O-N 3.14Å; G197-L200 PolarHBondContact O-N 3.3Å; H198-L200 VanDerWaalsContact C-N 3.33Å; L200-I208 HydrophobicContact CD2-CG2 3.87Å; L200-I222 HydrophobicContact CD2-CD1 3.86Å; L200-I222 HydrophobicContact CD2-CG1 4.04Å |
| 201 | S | 93.3 | Very high | 92 | Very high | 69 Ų | 69 | 56.1 Ų | 56.1 | 48% | 0.483 | 33% | 0.332 | S | S | . | . | trans | 47.7 | 52.8 | 178.9 | -75.2 | 0 | 0 | 0 | 0 | 113.3 | G197 H198 V199 Q203 | G197-S201 PolarHBondContact O-N 3.31Å; G197-S201 VanDerWaalsContact O-N 3.1Å; H198-S201 PolarHBondContact O-N 2.88Å; H198-S201 VanDerWaalsContact O-N 3.12Å; H198-S201 PolarHBondContact O-OG 3.5Å; V199-S201 PolarHBondContact O-N 3.18Å; S201-Q203 PolarHBondContact O-NE2 3.25Å | ||
| 202 | P | 94.3 | Very high | 91.8 | Very high | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.032 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 140.7 | -174.9 | 33.4 | -38.5 | 0 | 0 | 0 | 111.1 | G197 E206 I208 I222 L225 M226 | G197-P202 WeakPolarHBondContact O-CD 3.26Å; P202-E206 WeakPolarHBondContact CA-OE2 3.37Å; P202-I208 HydrophobicContact CB-CD1 4.25Å; P202-I208 HydrophobicContact CB-CG1 4.16Å; P202-I222 HydrophobicContact CB-CG2 4.08Å; P202-I222 HydrophobicContact CG-CB 4.43Å; P202-I222 HydrophobicContact CG-CG2 3.97Å; P202-L225 HydrophobicContact CG-CB 3.83Å; P202-L225 HydrophobicContact CG-CD1 4.17Å; P202-M226 HydrophobicContact CB-CG 3.6Å; P202-M226 HydrophobicContact CB-SD 3.89Å; P202-M226 HydrophobicContact CG-CG 3.92Å; P202-M226 HydrophobicContact CG-SD 4.5Å |
| 203 | Q | 96.2 | Very high | 91.8 | Very high | 106 Ų | 106 | 54.3 Ų | 54.3 | 50% | 0.495 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -102.6 | 150.7 | -176.9 | -56 | -57.8 | -53.7 | 0 | 0 | 112 | S201 G205 E206 | S201-Q203 PolarHBondContact O-NE2 3.25Å; Q203-G205 PolarHBondContact O-N 3.35Å; Q203-E206 HydrophobicContact CB-CG 4.04Å; Q203-E206 PolarHBondContact N-OE2 2.84Å; Q203-E206 WeakPolarHBondContact O-CB 3.42Å; Q203-E206 WeakPolarHBondContact O-CG 3.27Å; Q203-E206 PolarHBondContact O-N 3.05Å; Q203-E206 VanDerWaalsContact O-N 3.16Å |
| 204 | P | 97.5 | Very high | 91.8 | Very high | 73 Ų | 73 | 52.9 Ų | 52.9 | 47% | 0.474 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 133.2 | 170.6 | -27.7 | 35.8 | 0 | 0 | 0 | 112.3 | E229 | P204-E229 CarbonylContact C-O 3.53Å; P204-E229 WeakPolarHBondContact CA-O 3Å; P204-E229 HydrophobicContact CB-CB 4.13Å |
| 205 | G | 93.7 | Very high | 91.7 | Very high | 61 Ų | 61 | 55.2 Ų | 55.2 | 63% | 0.629 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | -9.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q203 E229 | Q203-G205 PolarHBondContact O-N 3.35Å; G205-E229 PolarHBondContact N-O 3.32Å |
| 206 | E | 93.3 | Very high | 91.7 | Very high | 82 Ų | 82 | 51.3 Ų | 51.3 | 38% | 0.383 | 31% | 0.311 | S | S | . | . | trans | -70 | 162.8 | 176.6 | -69.4 | -174.4 | 151.1 | 0 | 0 | 112.9 | P202 Q203 I208 M226 G230 R231 | P202-E206 WeakPolarHBondContact CA-OE2 3.37Å; Q203-E206 HydrophobicContact CB-CG 4.04Å; Q203-E206 PolarHBondContact N-OE2 2.84Å; Q203-E206 WeakPolarHBondContact O-CB 3.42Å; Q203-E206 WeakPolarHBondContact O-CG 3.27Å; Q203-E206 PolarHBondContact O-N 3.05Å; Q203-E206 VanDerWaalsContact O-N 3.16Å; E206-I208 HydrophobicContact CB-CD1 4.16Å; E206-M226 HydrophobicContact CB-CE 4.19Å; E206-M226 WeakPolarHBondContact O-CE 3.49Å; E206-G230 WeakPolarHBondContact O-CA 3.42Å; E206-R231 PolarHBondContact O-N 2.87Å | ||
| 207 | C | 91.1 | Very high | 91.8 | Very high | 76 Ų | 76 | 49.2 Ų | 49.2 | 51% | 0.514 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 112.3 | 172.4 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | R231 | C207-R231 CarbonylContact C-O 3.57Å; C207-R231 VanDerWaalsContact CA-O 3.31Å; C207-R231 WeakPolarHBondContact CA-O 3.34Å; C207-R231 HydrophobicContact CB-CB 4.4Å |
| 208 | I | 89.2 | Confident | 92 | Very high | 24 Ų | 24 | 52.6 Ų | 52.6 | 12% | 0.123 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 135.3 | -175.1 | -53 | -60.1 | 0 | 0 | 0 | 110.3 | L200 P202 E206 I222 M226 R231 V232 I233 | L200-I208 HydrophobicContact CD2-CG2 3.87Å; P202-I208 HydrophobicContact CB-CD1 4.25Å; P202-I208 HydrophobicContact CB-CG1 4.16Å; E206-I208 HydrophobicContact CB-CD1 4.16Å; I208-I222 HydrophobicContact CB-CG2 3.96Å; I208-I222 HydrophobicContact CG1-CG2 3.88Å; I208-I222 HydrophobicContact CG2-CD1 4.05Å; I208-I222 HydrophobicContact CG2-CG2 3.94Å; I208-M226 HydrophobicContact CG1-SD 3.89Å; I208-R231 PolarHBondContact N-O 3.41Å; I208-V232 CarbonylContact O-C 3.37Å; I208-V232 WeakPolarHBondContact O-CA 3.45Å; I208-I233 PolarHBondContact O-N 3.02Å |
| 209 | L | 89.2 | Confident | 92 | Very high | 85 Ų | 85 | 50.3 Ų | 50.3 | 45% | 0.445 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.3 | 174.4 | 177.7 | 64.9 | 0 | 0 | 0 | 110.1 | L211 I233 V235 | L209-L211 HydrophobicContact CD1-CD2 4.02Å; L209-L211 HydrophobicContact CD2-CD2 4.13Å; L209-L211 HydrophobicContact CD2-CG 4.28Å; L209-L211 HydrophobicContact CG-CD2 4.07Å; L209-L211 HydrophobicContact CG-CG 4.15Å; L209-I233 WeakPolarHBondContact CA-O 3.12Å; L209-I233 HydrophobicContact CD1-CB 4.02Å; L209-I233 HydrophobicContact CD1-CG2 3.67Å; L209-V235 HydrophobicContact CD1-CG2 3.89Å |
| 210 | D | 89.9 | Confident | 92.2 | Very high | 19 Ų | 19 | 47.2 Ų | 47.2 | 10% | 0.102 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 108.8 | 175.3 | -173.2 | 13.2 | 0 | 0 | 0 | 109.5 | S213 S219 I233 V235 | D210-S213 WeakPolarHBondContact O-CB 3.5Å; D210-S213 WeakPolarHBondContact OD2-CB 3.46Å; D210-S219 WeakPolarHBondContact OD2-CA 3.01Å; D210-S219 VanDerWaalsContact OD2-CB 3.28Å; D210-S219 WeakPolarHBondContact OD2-CB 3.42Å; D210-S219 PolarHBondContact OD2-N 3.5Å; D210-S219 VanDerWaalsContact OD2-N 3.08Å; D210-S219 PolarHBondContact OD2-OG 2.89Å; D210-I233 PolarHBondContact N-O 3.48Å; D210-V235 PolarHBondContact O-N 3.36Å |
| 211 | L | 87.9 | Confident | 92.4 | Very high | 63 Ų | 63 | 43.1 Ų | 43.1 | 33% | 0.33 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 145 | 179.5 | -62.6 | 174.9 | 0 | 0 | 0 | 110.4 | L209 S213 V235 L272 | L209-L211 HydrophobicContact CD1-CD2 4.02Å; L209-L211 HydrophobicContact CD2-CD2 4.13Å; L209-L211 HydrophobicContact CD2-CG 4.28Å; L209-L211 HydrophobicContact CG-CD2 4.07Å; L209-L211 HydrophobicContact CG-CG 4.15Å; L211-S213 PolarHBondContact O-N 3.34Å; L211-V235 HydrophobicContact CD2-CB 3.94Å; L211-V235 HydrophobicContact CD2-CG1 4.46Å; L211-V235 HydrophobicContact CD2-CG2 4.07Å; L211-L272 HydrophobicContact CD1-CD1 3.29Å |
| 212 | C | 86.6 | Confident | 92.5 | Very high | 99 Ų | 99 | 40.2 Ų | 40.2 | 67% | 0.669 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 34.4 | -170.7 | -60 | 0 | 0 | 0 | 0 | 112.2 | A214 V235 | C212-A214 VanDerWaalsContact C-N 3.27Å; C212-A214 PolarHBondContact O-N 3.25Å; C212-V235 WeakPolarHBondContact CA-O 3.46Å; C212-V235 PolarHBondContact N-O 3.49Å |
| 213 | S | 89.5 | Confident | 92.6 | Very high | 6 Ų | 6 | 40 Ų | 40 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | trans | -61.6 | -30.1 | -166.7 | 51.8 | 0 | 0 | 0 | 0 | 113.8 | D210 L211 G216 S219 S234 V235 | D210-S213 WeakPolarHBondContact O-CB 3.5Å; D210-S213 WeakPolarHBondContact OD2-CB 3.46Å; L211-S213 PolarHBondContact O-N 3.34Å; S213-G216 WeakPolarHBondContact O-CA 3.48Å; S213-G216 PolarHBondContact O-N 2.76Å; S213-S219 WeakPolarHBondContact CB-OG 3.22Å; S213-S234 WeakPolarHBondContact OG-CB 3.13Å; S213-V235 PolarHBondContact N-O 2.91Å; S213-V235 PolarHBondContact OG-N 3.03Å; S213-V235 VanDerWaalsContact OG-N 3.1Å; S213-V235 PolarHBondContact OG-O 3.44Å | ||
| 214 | A | 91.3 | Very high | 92.6 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 142.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | C212 G216 D236 R241 L245 | C212-A214 VanDerWaalsContact C-N 3.27Å; C212-A214 PolarHBondContact O-N 3.25Å; A214-G216 VanDerWaalsContact C-N 3.32Å; A214-G216 VanDerWaalsContact CA-N 3.34Å; A214-D236 HydrophobicContact CB-CB 3.73Å; A214-D236 WeakPolarHBondContact CB-OD2 3.32Å; A214-D236 PolarHBondContact N-OD2 3.45Å; A214-R241 VanDerWaalsContact CB-C 3.43Å; A214-R241 HydrophobicContact CB-CB 3.41Å; A214-R241 VanDerWaalsContact CB-CB 3.41Å; A214-R241 WeakPolarHBondContact CB-O 3.46Å; A214-R241 PolarHBondContact O-NE 2.93Å; A214-R241 PolarHBondContact O-NH2 2.81Å; A214-L245 HydrophobicContact CB-CB 4.02Å; A214-L245 HydrophobicContact CB-CD2 4.31Å |
| 215 | P | 92.3 | Very high | 92.5 | Very high | 50 Ų | 50 | 34.3 Ų | 34.3 | 33% | 0.325 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -84.5 | 12.8 | 13 | 35.3 | -37.7 | 0 | 0 | 0 | 114.7 | F187 Q244 L245 N248 | F187-P215 HydrophobicContact CZ-CG 4.34Å; P215-Q244 HydrophobicContact CB-CB 4.11Å; P215-L245 WeakPolarHBondContact O-CA 3.46Å; P215-N248 PolarHBondContact O-ND2 3.43Å |
| 216 | G | 92.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | 102.6 | 14.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116 | S213 A214 K218 T220 | S213-G216 WeakPolarHBondContact O-CA 3.48Å; S213-G216 PolarHBondContact O-N 2.76Å; A214-G216 VanDerWaalsContact C-N 3.32Å; A214-G216 VanDerWaalsContact CA-N 3.34Å; G216-K218 VanDerWaalsContact C-N 3.32Å; G216-K218 PolarHBondContact O-N 2.83Å; G216-T220 WeakPolarHBondContact O-CB 3.42Å; G216-T220 VanDerWaalsContact O-CG2 3.3Å; G216-T220 WeakPolarHBondContact O-CG2 3.47Å; G216-T220 PolarHBondContact O-N 2.94Å; G216-T220 PolarHBondContact O-OG1 3.06Å | ||
| 217 | G | 93.4 | Very high | 92.8 | Very high | 11 Ų | 11 | 29 Ų | 29 | 11% | 0.113 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -42.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R20 Q189 H221 | R20-G217 PolarHBondContact NH2-O 3Å; R20-G217 VanDerWaalsContact NH2-O 3.1Å; Q189-G217 PolarHBondContact NE2-O 3.01Å; Q189-G217 PolarHBondContact OE1-O 3.36Å; G217-H221 WeakPolarHBondContact O-CB 3.28Å |
| 218 | K | 93.9 | Very high | 93.1 | Very high | 72 Ų | 72 | 27 Ų | 27 | 31% | 0.313 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -45.5 | 177.5 | -68.3 | -172.6 | 179.5 | 68.2 | 0 | 112.2 | S193 C196 G216 T220 H221 I222 | S193-K218 PolarHBondContact OG-NZ 3.05Å; C196-K218 HydrophobicContact CB-CD 4.16Å; C196-K218 VanDerWaalsContact SG-CE 3.56Å; G216-K218 VanDerWaalsContact C-N 3.32Å; G216-K218 PolarHBondContact O-N 2.83Å; K218-T220 VanDerWaalsContact C-N 3.34Å; K218-T220 PolarHBondContact O-N 2.87Å; K218-H221 CarbonylContact O-C 3.5Å; K218-H221 WeakPolarHBondContact O-CA 3.37Å; K218-H221 VanDerWaalsContact O-CB 3.24Å; K218-H221 WeakPolarHBondContact O-CB 3.43Å; K218-H221 PolarHBondContact O-N 3.3Å; K218-I222 HydrophobicContact CB-CD1 4.5Å; K218-I222 WeakPolarHBondContact O-CG1 3.43Å; K218-I222 PolarHBondContact O-N 2.84Å |
| 219 | S | 95 | Very high | 93.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.8 | -45.5 | -179.4 | -8.8 | 0 | 0 | 0 | 0 | 112.8 | D210 S213 H221 I222 A223 S234 | D210-S219 WeakPolarHBondContact OD2-CA 3.01Å; D210-S219 VanDerWaalsContact OD2-CB 3.28Å; D210-S219 WeakPolarHBondContact OD2-CB 3.42Å; D210-S219 PolarHBondContact OD2-N 3.5Å; D210-S219 VanDerWaalsContact OD2-N 3.08Å; D210-S219 PolarHBondContact OD2-OG 2.89Å; S213-S219 WeakPolarHBondContact CB-OG 3.22Å; S219-H221 PolarHBondContact O-N 3.24Å; S219-I222 PolarHBondContact O-N 2.95Å; S219-A223 WeakPolarHBondContact O-CB 3.35Å; S219-A223 PolarHBondContact O-N 3.49Å; S219-S234 WeakPolarHBondContact CB-OG 3.44Å; S219-S234 PolarHBondContact OG-OG 3.42Å |
| 220 | T | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -73.7 | -15.2 | 176.1 | 62.8 | 0 | 0 | 0 | 0 | 113.1 | R20 G216 K218 C224 I249 L252 L254 | R20-T220 PolarHBondContact NH1-O 3.37Å; R20-T220 VanDerWaalsContact NH1-O 3.07Å; R20-T220 PolarHBondContact NH2-OG1 2.9Å; G216-T220 WeakPolarHBondContact O-CB 3.42Å; G216-T220 VanDerWaalsContact O-CG2 3.3Å; G216-T220 WeakPolarHBondContact O-CG2 3.47Å; G216-T220 PolarHBondContact O-N 2.94Å; G216-T220 PolarHBondContact O-OG1 3.06Å; K218-T220 VanDerWaalsContact C-N 3.34Å; K218-T220 PolarHBondContact O-N 2.87Å; T220-C224 WeakPolarHBondContact O-CB 3.35Å; T220-C224 PolarHBondContact O-N 3.23Å; T220-I249 HydrophobicContact CG2-CG1 4.19Å; T220-L252 HydrophobicContact CG2-CD1 4.05Å; T220-L254 VanDerWaalsContact CB-CD1 3.49Å; T220-L254 HydrophobicContact CG2-CD1 3.65Å |
| 221 | H | 95.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -78.6 | -50.8 | 170.2 | -171.9 | -172 | 0 | 0 | 0 | 111.3 | R20 D61 I194 H198 G217 K218 S219 A223 C224 L225 | R20-H221 WeakPolarHBondContact CD-CD2 3.48Å; D61-H221 IonicContact OD2-CD2 3.56Å; D61-H221 IonicContact OD2-CE1 3.61Å; D61-H221 IonicContact OD2-NE2 3.96Å; D61-H221 PolarHBondContact OD2-NE2 3.22Å; I194-H221 PolarHBondContact O-CE1 2.95Å; I194-H221 PolarHBondContact O-ND1 3.13Å; H198-H221 AromaticContact CD2-CE1 3.64Å; H198-H221 AromaticContact NE2-CE1 3.7Å; H198-H221 AromaticContact NE2-NE2 3.63Å; G217-H221 WeakPolarHBondContact O-CB 3.28Å; K218-H221 CarbonylContact O-C 3.5Å; K218-H221 WeakPolarHBondContact O-CA 3.37Å; K218-H221 VanDerWaalsContact O-CB 3.24Å; K218-H221 WeakPolarHBondContact O-CB 3.43Å; K218-H221 PolarHBondContact O-N 3.3Å; S219-H221 PolarHBondContact O-N 3.24Å; H221-A223 VanDerWaalsContact C-N 3.29Å; H221-A223 PolarHBondContact O-N 2.91Å; H221-C224 CarbonylContact O-C 3.59Å; H221-C224 WeakPolarHBondContact O-CA 3.49Å; H221-C224 VanDerWaalsContact O-CB 3.29Å; H221-C224 WeakPolarHBondContact O-CB 3.38Å; H221-C224 PolarHBondContact O-N 2.94Å; H221-L225 WeakPolarHBondContact O-CG 3.39Å; H221-L225 PolarHBondContact O-N 2.99Å |
| 222 | I | 95.6 | Very high | 94.2 | Very high | 9 Ų | 9 | 30.8 Ų | 30.8 | 5% | 0.046 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -53.6 | -50.2 | 175.7 | -68.5 | 163.9 | 0 | 0 | 0 | 109.7 | L200 P202 I208 K218 S219 C224 L225 M226 V232 | L200-I222 HydrophobicContact CD2-CD1 3.86Å; L200-I222 HydrophobicContact CD2-CG1 4.04Å; P202-I222 HydrophobicContact CB-CG2 4.08Å; P202-I222 HydrophobicContact CG-CB 4.43Å; P202-I222 HydrophobicContact CG-CG2 3.97Å; I208-I222 HydrophobicContact CB-CG2 3.96Å; I208-I222 HydrophobicContact CG1-CG2 3.88Å; I208-I222 HydrophobicContact CG2-CD1 4.05Å; I208-I222 HydrophobicContact CG2-CG2 3.94Å; K218-I222 HydrophobicContact CB-CD1 4.5Å; K218-I222 WeakPolarHBondContact O-CG1 3.43Å; K218-I222 PolarHBondContact O-N 2.84Å; S219-I222 PolarHBondContact O-N 2.95Å; I222-C224 VanDerWaalsContact C-N 3.28Å; I222-C224 PolarHBondContact O-N 3.42Å; I222-L225 PolarHBondContact O-N 3.4Å; I222-L225 VanDerWaalsContact O-N 3.12Å; I222-M226 HydrophobicContact CG2-SD 3.69Å; I222-M226 WeakPolarHBondContact O-CG 3.2Å; I222-M226 PolarHBondContact O-N 3.43Å; I222-V232 HydrophobicContact CB-CG2 4.39Å; I222-V232 HydrophobicContact CG2-CG1 4.39Å; I222-V232 HydrophobicContact CG2-CG2 3.68Å |
| 223 | A | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -55.7 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S219 H221 M226 G227 D228 V232 L254 C256 V257 | S219-A223 WeakPolarHBondContact O-CB 3.35Å; S219-A223 PolarHBondContact O-N 3.49Å; H221-A223 VanDerWaalsContact C-N 3.29Å; H221-A223 PolarHBondContact O-N 2.91Å; A223-M226 PolarHBondContact O-N 3.21Å; A223-G227 PolarHBondContact O-N 2.76Å; A223-D228 WeakPolarHBondContact O-CA 3.36Å; A223-D228 PolarHBondContact O-N 2.77Å; A223-V232 HydrophobicContact CB-CG2 4.14Å; A223-L254 HydrophobicContact CB-CD1 4.03Å; A223-L254 HydrophobicContact CB-CD2 3.88Å; A223-L254 HydrophobicContact CB-CG 4.47Å; A223-C256 WeakPolarHBondContact CB-SG 3.14Å; A223-V257 HydrophobicContact CB-CG2 3.61Å |
| 224 | C | 95.6 | Very high | 94.5 | Very high | 6 Ų | 6 | 27.5 Ų | 27.5 | 4% | 0.041 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.9 | -40.4 | 177.3 | -170.4 | 0 | 0 | 0 | 0 | 112.8 | H22 T220 H221 I222 M226 G227 | H22-C224 WeakPolarHBondContact ND1-CB 3.18Å; H22-C224 PolarHBondContact ND1-SG 3.27Å; T220-C224 WeakPolarHBondContact O-CB 3.35Å; T220-C224 PolarHBondContact O-N 3.23Å; H221-C224 CarbonylContact O-C 3.59Å; H221-C224 WeakPolarHBondContact O-CA 3.49Å; H221-C224 VanDerWaalsContact O-CB 3.29Å; H221-C224 WeakPolarHBondContact O-CB 3.38Å; H221-C224 PolarHBondContact O-N 2.94Å; I222-C224 VanDerWaalsContact C-N 3.28Å; I222-C224 PolarHBondContact O-N 3.42Å; C224-M226 VanDerWaalsContact C-N 3.31Å; C224-G227 PolarHBondContact O-N 2.92Å |
| 225 | L | 95.1 | Very high | 94.4 | Very high | 53 Ų | 53 | 27.5 Ų | 27.5 | 28% | 0.277 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -67.1 | -33.9 | 178.3 | -68.8 | 174.5 | 0 | 0 | 0 | 111.7 | G197 P202 H221 I222 G227 | G197-L225 VanDerWaalsContact C-CD1 3.41Å; G197-L225 VanDerWaalsContact O-CD1 3.26Å; G197-L225 WeakPolarHBondContact O-CD1 3.49Å; P202-L225 HydrophobicContact CG-CB 3.83Å; P202-L225 HydrophobicContact CG-CD1 4.17Å; H221-L225 WeakPolarHBondContact O-CG 3.39Å; H221-L225 PolarHBondContact O-N 2.99Å; I222-L225 PolarHBondContact O-N 3.4Å; I222-L225 VanDerWaalsContact O-N 3.12Å; L225-G227 PolarHBondContact O-N 3.45Å |
| 226 | M | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 3.3 | 173.9 | -63.1 | 168.7 | 60.3 | 0 | 0 | 113.7 | P202 E206 I208 I222 A223 C224 D228 E229 V232 | P202-M226 HydrophobicContact CB-CG 3.6Å; P202-M226 HydrophobicContact CB-SD 3.89Å; P202-M226 HydrophobicContact CG-CG 3.92Å; P202-M226 HydrophobicContact CG-SD 4.5Å; E206-M226 HydrophobicContact CB-CE 4.19Å; E206-M226 WeakPolarHBondContact O-CE 3.49Å; I208-M226 HydrophobicContact CG1-SD 3.89Å; I222-M226 HydrophobicContact CG2-SD 3.69Å; I222-M226 WeakPolarHBondContact O-CG 3.2Å; I222-M226 PolarHBondContact O-N 3.43Å; A223-M226 PolarHBondContact O-N 3.21Å; C224-M226 VanDerWaalsContact C-N 3.31Å; M226-D228 VanDerWaalsContact C-N 3.28Å; M226-D228 PolarHBondContact O-N 3.07Å; M226-E229 WeakPolarHBondContact CE-O 3.31Å; M226-E229 PolarHBondContact O-N 3.31Å; M226-E229 VanDerWaalsContact O-N 3.12Å; M226-V232 HydrophobicContact SD-CG2 4.09Å |
| 227 | G | 96.6 | Very high | 94 | Very high | 32 Ų | 32 | 29.4 Ų | 29.4 | 33% | 0.33 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 20.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A223 C224 L225 E229 | A223-G227 PolarHBondContact O-N 2.76Å; C224-G227 PolarHBondContact O-N 2.92Å; L225-G227 PolarHBondContact O-N 3.45Å; G227-E229 PolarHBondContact O-N 3.1Å |
| 228 | D | 97.1 | Very high | 93.8 | Very high | 34 Ų | 34 | 30.9 Ų | 30.9 | 18% | 0.182 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 20.6 | -168.9 | -159.2 | 41.3 | 0 | 0 | 0 | 113.2 | L24 A223 M226 L254 K255 C256 | L24-D228 HydrophobicContact CD1-CB 4.05Å; A223-D228 WeakPolarHBondContact O-CA 3.36Å; A223-D228 PolarHBondContact O-N 2.77Å; M226-D228 VanDerWaalsContact C-N 3.28Å; M226-D228 PolarHBondContact O-N 3.07Å; D228-L254 HydrophobicContact CB-CD2 4.28Å; D228-K255 PolarHBondContact OD1-N 3.1Å; D228-K255 WeakPolarHBondContact OD2-CB 3.06Å; D228-K255 WeakPolarHBondContact OD2-CG 3.41Å; D228-K255 PolarHBondContact OD2-N 3.29Å; D228-C256 PolarHBondContact OD1-N 3.47Å; D228-C256 PolarHBondContact OD1-SG 3.48Å |
| 229 | E | 97.2 | Very high | 93.6 | Very high | 128 Ų | 128 | 32.3 Ų | 32.3 | 60% | 0.598 | 18% | 0.177 | S | C | * | . | trans | -110.7 | 113 | 177.7 | -64.9 | -177.9 | -178.4 | 0 | 0 | 110.3 | P204 G205 M226 G227 | P204-E229 CarbonylContact C-O 3.53Å; P204-E229 WeakPolarHBondContact CA-O 3Å; P204-E229 HydrophobicContact CB-CB 4.13Å; G205-E229 PolarHBondContact N-O 3.32Å; M226-E229 WeakPolarHBondContact CE-O 3.31Å; M226-E229 PolarHBondContact O-N 3.31Å; M226-E229 VanDerWaalsContact O-N 3.12Å; G227-E229 PolarHBondContact O-N 3.1Å | ||
| 230 | G | 94.3 | Very high | 93.3 | Very high | 28 Ų | 28 | 38 Ų | 38 | 29% | 0.289 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 130.8 | -148 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111 | E206 C256 | E206-G230 WeakPolarHBondContact O-CA 3.42Å; G230-C256 VanDerWaalsContact O-CB 3.28Å; G230-C256 WeakPolarHBondContact O-CB 3.21Å |
| 231 | R | 94.2 | Very high | 93.2 | Very high | 115 Ų | 115 | 43.2 Ų | 43.2 | 43% | 0.434 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 129.3 | 179.8 | -61.4 | 179.2 | 67.2 | -153.9 | -1.7 | 111.5 | E206 C207 I208 C256 E258 | E206-R231 PolarHBondContact O-N 2.87Å; C207-R231 CarbonylContact C-O 3.57Å; C207-R231 VanDerWaalsContact CA-O 3.31Å; C207-R231 WeakPolarHBondContact CA-O 3.34Å; C207-R231 HydrophobicContact CB-CB 4.4Å; I208-R231 PolarHBondContact N-O 3.41Å; R231-C256 CarbonylContact C-O 3.54Å; R231-E258 IonicContact CZ-OE1 3.27Å; R231-E258 VanDerWaalsContact CZ-OE1 3.27Å; R231-E258 IonicContact CZ-OE2 3.91Å; R231-E258 IonicContact NE-OE1 3.11Å; R231-E258 PolarHBondContact NE-OE1 3.25Å; R231-E258 VanDerWaalsContact NH2-CD 3.32Å; R231-E258 IonicContact NH2-OE1 2.96Å; R231-E258 PolarHBondContact NH2-OE1 3.17Å; R231-E258 IonicContact NH2-OE2 2.88Å; R231-E258 PolarHBondContact NH2-OE2 2.94Å |
| 232 | V | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 104 | 172.1 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | I208 I222 A223 M226 S234 C256 V257 E258 | I208-V232 CarbonylContact O-C 3.37Å; I208-V232 WeakPolarHBondContact O-CA 3.45Å; I222-V232 HydrophobicContact CB-CG2 4.39Å; I222-V232 HydrophobicContact CG2-CG1 4.39Å; I222-V232 HydrophobicContact CG2-CG2 3.68Å; A223-V232 HydrophobicContact CB-CG2 4.14Å; M226-V232 HydrophobicContact SD-CG2 4.09Å; V232-S234 PolarHBondContact O-N 2.86Å; V232-C256 PolarHBondContact N-O 3.29Å; V232-V257 HydrophobicContact CB-CG2 4.23Å; V232-V257 CarbonylContact O-C 3.54Å; V232-V257 WeakPolarHBondContact O-CA 3.42Å; V232-E258 PolarHBondContact O-N 3Å |
| 233 | I | 91 | Very high | 92.9 | Very high | 35 Ų | 35 | 46.1 Ų | 46.1 | 18% | 0.179 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 107.5 | 177.7 | -59.8 | 176 | 0 | 0 | 0 | 107.9 | I208 L209 D210 V235 F260 | I208-I233 PolarHBondContact O-N 3.02Å; L209-I233 WeakPolarHBondContact CA-O 3.12Å; L209-I233 HydrophobicContact CD1-CB 4.02Å; L209-I233 HydrophobicContact CD1-CG2 3.67Å; D210-I233 PolarHBondContact N-O 3.48Å; I233-V235 HydrophobicContact CG2-CG2 4.2Å; I233-F260 HydrophobicContact CG2-CD2 3.71Å; I233-F260 HydrophobicContact CG2-CE2 3.8Å |
| 234 | S | 92.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 118.7 | -176.8 | -62.2 | 0 | 0 | 0 | 0 | 110.6 | S213 S219 V232 V257 E258 V259 F260 | S213-S234 WeakPolarHBondContact OG-CB 3.13Å; S219-S234 WeakPolarHBondContact CB-OG 3.44Å; S219-S234 PolarHBondContact OG-OG 3.42Å; V232-S234 PolarHBondContact O-N 2.86Å; S234-V257 WeakPolarHBondContact OG-CG1 3.41Å; S234-E258 PolarHBondContact N-O 3.2Å; S234-V259 CarbonylContact O-C 3.53Å; S234-V259 WeakPolarHBondContact O-CA 3.34Å; S234-F260 PolarHBondContact O-N 3.29Å |
| 235 | V | 89 | Confident | 92.6 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.024 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 134.1 | -177 | -170.9 | 0 | 0 | 0 | 0 | 110.5 | L209 D210 L211 C212 S213 I233 F260 A262 L265 | L209-V235 HydrophobicContact CD1-CG2 3.89Å; D210-V235 PolarHBondContact O-N 3.36Å; L211-V235 HydrophobicContact CD2-CB 3.94Å; L211-V235 HydrophobicContact CD2-CG1 4.46Å; L211-V235 HydrophobicContact CD2-CG2 4.07Å; C212-V235 WeakPolarHBondContact CA-O 3.46Å; C212-V235 PolarHBondContact N-O 3.49Å; S213-V235 PolarHBondContact N-O 2.91Å; S213-V235 PolarHBondContact OG-N 3.03Å; S213-V235 VanDerWaalsContact OG-N 3.1Å; S213-V235 PolarHBondContact OG-O 3.44Å; I233-V235 HydrophobicContact CG2-CG2 4.2Å; V235-F260 VanDerWaalsContact CA-O 3.32Å; V235-F260 WeakPolarHBondContact CA-O 3.39Å; V235-F260 HydrophobicContact CG2-CB 4.39Å; V235-A262 HydrophobicContact CG1-CB 3.81Å; V235-A262 WeakPolarHBondContact CG1-O 3.28Å; V235-L265 HydrophobicContact CG2-CD1 4.19Å |
| 236 | D | 89.6 | Confident | 92.6 | Very high | 9 Ų | 9 | 52.1 Ų | 52.1 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | trans | -154.5 | 141 | 170.1 | -163.6 | -74.7 | 0 | 0 | 0 | 110.1 | A214 S238 R241 V242 F260 R261 | A214-D236 HydrophobicContact CB-CB 3.73Å; A214-D236 WeakPolarHBondContact CB-OD2 3.32Å; A214-D236 PolarHBondContact N-OD2 3.45Å; D236-S238 WeakPolarHBondContact OD1-CB 3.33Å; D236-S238 PolarHBondContact OD1-N 3.29Å; D236-R241 IonicContact OD1-NE 3.5Å; D236-R241 IonicContact OD2-CZ 3.58Å; D236-R241 IonicContact OD2-NE 3.72Å; D236-R241 PolarHBondContact OD2-NE 2.85Å; D236-R241 IonicContact OD2-NH2 2.65Å; D236-V242 HydrophobicContact CB-CG2 3.89Å; D236-V242 WeakPolarHBondContact O-CG2 3.47Å; D236-F260 PolarHBondContact N-O 2.78Å; D236-R261 WeakPolarHBondContact O-CA 3.48Å; D236-R261 WeakPolarHBondContact O-CG 3.04Å | ||
| 237 | D | 86.8 | Confident | 92.5 | Very high | 80 Ų | 80 | 56.8 Ų | 56.8 | 43% | 0.428 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -76 | -29.3 | -179.7 | 170.6 | 38.7 | 0 | 0 | 0 | 112.5 | L239 R261 N263 | D237-L239 PolarHBondContact O-N 2.89Å; D237-R261 PolarHBondContact O-NE 2.87Å; D237-R261 IonicContact OD1-NH2 2.73Å; D237-N263 WeakPolarHBondContact CB-OD1 3.26Å; D237-N263 PolarHBondContact OD1-OD1 2.89Å |
| 238 | S | 88.6 | Confident | 92.3 | Very high | 43 Ų | 43 | 56.4 Ų | 56.4 | 30% | 0.301 | 28% | 0.283 | S | S | . | . | trans | -80.9 | 113.5 | -170.7 | -175.7 | 0 | 0 | 0 | 0 | 112.2 | D236 N240 R241 V242 | D236-S238 WeakPolarHBondContact OD1-CB 3.33Å; D236-S238 PolarHBondContact OD1-N 3.29Å; S238-N240 VanDerWaalsContact C-N 3.25Å; S238-N240 PolarHBondContact O-N 2.75Å; S238-R241 PolarHBondContact O-N 2.92Å; S238-V242 WeakPolarHBondContact O-CB 3.47Å; S238-V242 WeakPolarHBondContact O-CG2 3.27Å; S238-V242 PolarHBondContact O-N 3.3Å | ||
| 239 | L | 89.5 | Confident | 92.1 | Very high | 102 Ų | 102 | 55.6 Ų | 55.6 | 53% | 0.534 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -51.9 | -42.6 | 175.8 | -177.2 | 64.4 | 0 | 0 | 0 | 113 | D237 R241 T243 | D237-L239 PolarHBondContact O-N 2.89Å; L239-R241 VanDerWaalsContact C-N 3.35Å; L239-R241 PolarHBondContact O-N 2.89Å; L239-T243 WeakPolarHBondContact O-CB 3.17Å; L239-T243 PolarHBondContact O-N 2.84Å; L239-T243 PolarHBondContact O-OG1 2.76Å |
| 240 | N | 89.9 | Confident | 91.9 | Very high | 120 Ų | 120 | 58 Ų | 58 | 64% | 0.642 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.5 | -35.3 | 179.3 | -73.9 | -16 | 0 | 0 | 0 | 112.5 | S238 Q244 | S238-N240 VanDerWaalsContact C-N 3.25Å; S238-N240 PolarHBondContact O-N 2.75Å; N240-Q244 WeakPolarHBondContact O-CG 3.25Å; N240-Q244 PolarHBondContact O-N 2.97Å; N240-Q244 PolarHBondContact O-NE2 2.87Å |
| 241 | R | 92.1 | Very high | 91.8 | Very high | 109 Ų | 109 | 60 Ų | 60 | 41% | 0.411 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -77.4 | -42.7 | 177.4 | -59.8 | 173.5 | 59.6 | 166 | -6.4 | 110.5 | A214 D236 S238 L239 T243 Q244 L245 | A214-R241 VanDerWaalsContact CB-C 3.43Å; A214-R241 HydrophobicContact CB-CB 3.41Å; A214-R241 VanDerWaalsContact CB-CB 3.41Å; A214-R241 WeakPolarHBondContact CB-O 3.46Å; A214-R241 PolarHBondContact O-NE 2.93Å; A214-R241 PolarHBondContact O-NH2 2.81Å; D236-R241 IonicContact OD1-NE 3.5Å; D236-R241 IonicContact OD2-CZ 3.58Å; D236-R241 IonicContact OD2-NE 3.72Å; D236-R241 PolarHBondContact OD2-NE 2.85Å; D236-R241 IonicContact OD2-NH2 2.65Å; S238-R241 PolarHBondContact O-N 2.92Å; L239-R241 VanDerWaalsContact C-N 3.35Å; L239-R241 PolarHBondContact O-N 2.89Å; R241-T243 PolarHBondContact O-N 3.06Å; R241-Q244 WeakPolarHBondContact O-CA 3.48Å; R241-Q244 WeakPolarHBondContact O-CB 3.4Å; R241-Q244 PolarHBondContact O-N 3.12Å; R241-L245 PolarHBondContact O-N 3Å |
| 242 | V | 91.4 | Very high | 91.6 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.5 | -41.6 | 172 | 167.1 | 0 | 0 | 0 | 0 | 111.3 | D236 S238 Q244 L245 H246 V259 | D236-V242 HydrophobicContact CB-CG2 3.89Å; D236-V242 WeakPolarHBondContact O-CG2 3.47Å; S238-V242 WeakPolarHBondContact O-CB 3.47Å; S238-V242 WeakPolarHBondContact O-CG2 3.27Å; S238-V242 PolarHBondContact O-N 3.3Å; V242-Q244 VanDerWaalsContact C-N 3.35Å; V242-Q244 PolarHBondContact O-N 2.76Å; V242-L245 WeakPolarHBondContact O-CB 3.17Å; V242-L245 PolarHBondContact O-N 2.72Å; V242-H246 PolarHBondContact O-CD2 2.85Å; V242-H246 VanDerWaalsContact O-CD2 3.32Å; V242-H246 PolarHBondContact O-N 3.28Å; V242-V259 HydrophobicContact CG1-CG1 3.82Å |
| 243 | T | 94.1 | Very high | 91.5 | Very high | 60 Ų | 60 | 58.2 Ų | 58.2 | 37% | 0.368 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 175.2 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | L239 R241 H246 Q247 | L239-T243 WeakPolarHBondContact O-CB 3.17Å; L239-T243 PolarHBondContact O-N 2.84Å; L239-T243 PolarHBondContact O-OG1 2.76Å; R241-T243 PolarHBondContact O-N 3.06Å; T243-H246 PolarHBondContact O-N 2.96Å; T243-Q247 VanDerWaalsContact O-CG 3.31Å; T243-Q247 WeakPolarHBondContact O-CG 3.27Å; T243-Q247 PolarHBondContact O-N 2.81Å |
| 244 | Q | 92.1 | Very high | 91.6 | Very high | 89 Ų | 89 | 57.2 Ų | 57.2 | 42% | 0.416 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 175.3 | -69.5 | 167 | 47.8 | 0 | 0 | 112 | P215 N240 R241 V242 Q247 N248 | P215-Q244 HydrophobicContact CB-CB 4.11Å; N240-Q244 WeakPolarHBondContact O-CG 3.25Å; N240-Q244 PolarHBondContact O-N 2.97Å; N240-Q244 PolarHBondContact O-NE2 2.87Å; R241-Q244 WeakPolarHBondContact O-CA 3.48Å; R241-Q244 WeakPolarHBondContact O-CB 3.4Å; R241-Q244 PolarHBondContact O-N 3.12Å; V242-Q244 VanDerWaalsContact C-N 3.35Å; V242-Q244 PolarHBondContact O-N 2.76Å; Q244-Q247 WeakPolarHBondContact O-CB 3.32Å; Q244-Q247 PolarHBondContact O-N 2.94Å; Q244-N248 VanDerWaalsContact O-CG 3.28Å; Q244-N248 PolarHBondContact O-N 3.47Å; Q244-N248 PolarHBondContact O-ND2 3.42Å |
| 245 | L | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.7 | -49.1 | 174.9 | 169.7 | 63.5 | 0 | 0 | 0 | 111.1 | A214 P215 R241 V242 Q247 N248 I249 V259 | A214-L245 HydrophobicContact CB-CB 4.02Å; A214-L245 HydrophobicContact CB-CD2 4.31Å; P215-L245 WeakPolarHBondContact O-CA 3.46Å; R241-L245 PolarHBondContact O-N 3Å; V242-L245 WeakPolarHBondContact O-CB 3.17Å; V242-L245 PolarHBondContact O-N 2.72Å; L245-Q247 VanDerWaalsContact C-N 3.3Å; L245-Q247 PolarHBondContact O-N 3.3Å; L245-N248 PolarHBondContact O-N 2.86Å; L245-N248 VanDerWaalsContact O-N 3.13Å; L245-I249 HydrophobicContact CD1-CD1 3.85Å; L245-I249 HydrophobicContact CD1-CG1 4.17Å; L245-I249 HydrophobicContact CG-CD1 3.92Å; L245-I249 VanDerWaalsContact O-CG1 3.32Å; L245-I249 WeakPolarHBondContact O-CG1 3.44Å; L245-I249 PolarHBondContact O-N 3.01Å; L245-V259 HydrophobicContact CD2-CB 4.28Å; L245-V259 HydrophobicContact CD2-CG1 3.53Å; L245-V259 HydrophobicContact CD2-CG2 3.75Å; L245-V259 HydrophobicContact CG-CG1 4.27Å; L245-V259 HydrophobicContact CG-CG2 3.88Å |
| 246 | H | 94.7 | Very high | 92.2 | Very high | 96 Ų | 96 | 66.1 Ų | 66.1 | 44% | 0.444 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.1 | -41 | 174.1 | -80.1 | -63.4 | 0 | 0 | 0 | 112.9 | V242 T243 N248 I249 K250 | V242-H246 PolarHBondContact O-CD2 2.85Å; V242-H246 VanDerWaalsContact O-CD2 3.32Å; V242-H246 PolarHBondContact O-N 3.28Å; T243-H246 PolarHBondContact O-N 2.96Å; H246-N248 VanDerWaalsContact C-N 3.35Å; H246-I249 PolarHBondContact O-N 3.43Å; H246-K250 WeakPolarHBondContact O-CB 3.27Å; H246-K250 PolarHBondContact O-N 2.73Å |
| 247 | Q | 93.2 | Very high | 92.5 | Very high | 97 Ų | 97 | 66.4 Ų | 66.4 | 45% | 0.453 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 175.8 | -72.2 | 173 | -2.8 | 0 | 0 | 111.6 | T243 Q244 L245 K250 K251 | T243-Q247 VanDerWaalsContact O-CG 3.31Å; T243-Q247 WeakPolarHBondContact O-CG 3.27Å; T243-Q247 PolarHBondContact O-N 2.81Å; Q244-Q247 WeakPolarHBondContact O-CB 3.32Å; Q244-Q247 PolarHBondContact O-N 2.94Å; L245-Q247 VanDerWaalsContact C-N 3.3Å; L245-Q247 PolarHBondContact O-N 3.3Å; Q247-K250 PolarHBondContact O-N 3.01Å; Q247-K251 WeakPolarHBondContact O-CB 3.34Å; Q247-K251 VanDerWaalsContact O-CG 3.24Å; Q247-K251 WeakPolarHBondContact O-CG 3.31Å; Q247-K251 PolarHBondContact O-N 2.78Å |
| 248 | N | 92.3 | Very high | 92.8 | Very high | 24 Ų | 24 | 65.6 Ų | 65.6 | 13% | 0.128 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.5 | -42.4 | 178.8 | -69.7 | -24 | 0 | 0 | 0 | 111.9 | F187 P215 Q244 L245 H246 K250 K251 L252 | F187-N248 HydrophobicContact CE2-CB 4.47Å; P215-N248 PolarHBondContact O-ND2 3.43Å; Q244-N248 VanDerWaalsContact O-CG 3.28Å; Q244-N248 PolarHBondContact O-N 3.47Å; Q244-N248 PolarHBondContact O-ND2 3.42Å; L245-N248 PolarHBondContact O-N 2.86Å; L245-N248 VanDerWaalsContact O-N 3.13Å; H246-N248 VanDerWaalsContact C-N 3.35Å; N248-K250 VanDerWaalsContact C-N 3.32Å; N248-K250 PolarHBondContact O-N 3.04Å; N248-K251 PolarHBondContact O-N 2.99Å; N248-L252 WeakPolarHBondContact O-CB 3.43Å; N248-L252 WeakPolarHBondContact O-CG 3.5Å; N248-L252 PolarHBondContact O-N 3.09Å |
| 249 | I | 93.6 | Very high | 93.1 | Very high | 17 Ų | 17 | 64.9 Ų | 64.9 | 9% | 0.087 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.2 | -47.7 | 173 | -67 | 162.8 | 0 | 0 | 0 | 110.2 | T220 L245 H246 L252 S253 L254 V257 V259 | T220-I249 HydrophobicContact CG2-CG1 4.19Å; L245-I249 HydrophobicContact CD1-CD1 3.85Å; L245-I249 HydrophobicContact CD1-CG1 4.17Å; L245-I249 HydrophobicContact CG-CD1 3.92Å; L245-I249 VanDerWaalsContact O-CG1 3.32Å; L245-I249 WeakPolarHBondContact O-CG1 3.44Å; L245-I249 PolarHBondContact O-N 3.01Å; H246-I249 PolarHBondContact O-N 3.43Å; I249-L252 CarbonylContact O-C 3.58Å; I249-L252 PolarHBondContact O-N 3.03Å; I249-S253 PolarHBondContact O-N 3.18Å; I249-L254 HydrophobicContact CG2-CB 4.22Å; I249-L254 WeakPolarHBondContact CG2-O 3.43Å; I249-L254 PolarHBondContact O-N 3.38Å; I249-V257 HydrophobicContact CD1-CB 3.85Å; I249-V257 HydrophobicContact CD1-CG1 3.46Å; I249-V257 VanDerWaalsContact CD1-CG1 3.46Å; I249-V257 HydrophobicContact CG1-CB 4.07Å; I249-V257 HydrophobicContact CG1-CG1 3.99Å; I249-V259 HydrophobicContact CD1-CG2 3.32Å |
| 250 | K | 93.4 | Very high | 93 | Very high | 179 Ų | 179 | 64.2 Ų | 64.2 | 78% | 0.778 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.6 | -45.4 | 178.7 | -175.7 | 177 | 179.4 | 177.8 | 0 | 112.4 | H246 Q247 N248 L252 S253 | H246-K250 WeakPolarHBondContact O-CB 3.27Å; H246-K250 PolarHBondContact O-N 2.73Å; Q247-K250 PolarHBondContact O-N 3.01Å; N248-K250 VanDerWaalsContact C-N 3.32Å; N248-K250 PolarHBondContact O-N 3.04Å; K250-L252 VanDerWaalsContact C-N 3.28Å; K250-L252 PolarHBondContact O-N 3.04Å; K250-S253 PolarHBondContact O-N 2.55Å |
| 251 | K | 91 | Very high | 92.8 | Very high | 71 Ų | 71 | 65.9 Ų | 65.9 | 31% | 0.309 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.3 | -35.7 | 177.9 | -71.5 | 173.9 | -167.3 | 174.4 | 0 | 111.8 | K25 E183 Q247 N248 | K25-K251 PolarHBondContact NZ-O 3.46Å; E183-K251 HydrophobicContact CB-CD 3.8Å; E183-K251 VanDerWaalsContact CD-NZ 3.33Å; E183-K251 WeakPolarHBondContact O-CB 3.21Å; E183-K251 IonicContact OE1-NZ 3.6Å; E183-K251 WeakPolarHBondContact OE2-CE 3.13Å; E183-K251 IonicContact OE2-NZ 2.71Å; E183-K251 PolarHBondContact OE2-NZ 3.13Å; Q247-K251 WeakPolarHBondContact O-CB 3.34Å; Q247-K251 VanDerWaalsContact O-CG 3.24Å; Q247-K251 WeakPolarHBondContact O-CG 3.31Å; Q247-K251 PolarHBondContact O-N 2.78Å; N248-K251 PolarHBondContact O-N 2.99Å |
| 252 | L | 89.7 | Confident | 92 | Very high | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -88.2 | -1.1 | 178 | -63.2 | 175.8 | 0 | 0 | 0 | 113.8 | H22 K25 T220 N248 I249 K250 L254 | H22-L252 HydrophobicContact CB-CD2 4.13Å; K25-L252 VanDerWaalsContact CE-C 3.5Å; K25-L252 WeakPolarHBondContact CE-O 3.4Å; K25-L252 VanDerWaalsContact NZ-C 3.32Å; K25-L252 PolarHBondContact NZ-O 2.92Å; T220-L252 HydrophobicContact CG2-CD1 4.05Å; N248-L252 WeakPolarHBondContact O-CB 3.43Å; N248-L252 WeakPolarHBondContact O-CG 3.5Å; N248-L252 PolarHBondContact O-N 3.09Å; I249-L252 CarbonylContact O-C 3.58Å; I249-L252 PolarHBondContact O-N 3.03Å; K250-L252 VanDerWaalsContact C-N 3.28Å; K250-L252 PolarHBondContact O-N 3.04Å; L252-L254 HydrophobicContact CB-CD1 4.04Å; L252-L254 HydrophobicContact CB-CG 4.07Å; L252-L254 HydrophobicContact CD1-CD1 4.34Å; L252-L254 PolarHBondContact O-N 3.31Å |
| 253 | S | 92.2 | Very high | 90.9 | Very high | 74 Ų | 74 | 67.2 Ų | 67.2 | 52% | 0.517 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 30.1 | 177.1 | -51.1 | 0 | 0 | 0 | 0 | 114.4 | K25 I249 K250 | K25-S253 PolarHBondContact NZ-OG 2.98Å; I249-S253 PolarHBondContact O-N 3.18Å; K250-S253 PolarHBondContact O-N 2.55Å |
| 254 | L | 94.9 | Very high | 89.4 | Confident | 13 Ų | 13 | 69 Ų | 69 | 7% | 0.068 | 34% | 0.336 | C | S | . | . | trans | -80.4 | 142.9 | 179 | -70.4 | 168.7 | 0 | 0 | 0 | 110.9 | T220 A223 D228 I249 L252 V257 | T220-L254 VanDerWaalsContact CB-CD1 3.49Å; T220-L254 HydrophobicContact CG2-CD1 3.65Å; A223-L254 HydrophobicContact CB-CD1 4.03Å; A223-L254 HydrophobicContact CB-CD2 3.88Å; A223-L254 HydrophobicContact CB-CG 4.47Å; D228-L254 HydrophobicContact CB-CD2 4.28Å; I249-L254 HydrophobicContact CG2-CB 4.22Å; I249-L254 WeakPolarHBondContact CG2-O 3.43Å; I249-L254 PolarHBondContact O-N 3.38Å; L252-L254 HydrophobicContact CB-CD1 4.04Å; L252-L254 HydrophobicContact CB-CG 4.07Å; L252-L254 HydrophobicContact CD1-CD1 4.34Å; L252-L254 PolarHBondContact O-N 3.31Å; L254-V257 HydrophobicContact CB-CG2 4.23Å; L254-V257 HydrophobicContact CD1-CG2 4.28Å | ||
| 255 | K | 96.5 | Very high | 88 | Confident | 181 Ų | 181 | 69 Ų | 69 | 79% | 0.787 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -114.2 | -31.3 | -176.1 | -58.8 | 171.9 | -171.4 | 168.1 | 0 | 112.8 | D228 V257 | D228-K255 PolarHBondContact OD1-N 3.1Å; D228-K255 WeakPolarHBondContact OD2-CB 3.06Å; D228-K255 WeakPolarHBondContact OD2-CG 3.41Å; D228-K255 PolarHBondContact OD2-N 3.29Å; K255-V257 PolarHBondContact O-N 3.35Å |
| 256 | C | 96.1 | Very high | 87 | Confident | 10 Ų | 10 | 72.1 Ų | 72.1 | 7% | 0.068 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -80.4 | -1.9 | -174.5 | 75.1 | 0 | 0 | 0 | 0 | 114 | A223 D228 G230 R231 V232 | A223-C256 WeakPolarHBondContact CB-SG 3.14Å; D228-C256 PolarHBondContact OD1-N 3.47Å; D228-C256 PolarHBondContact OD1-SG 3.48Å; G230-C256 VanDerWaalsContact O-CB 3.28Å; G230-C256 WeakPolarHBondContact O-CB 3.21Å; R231-C256 CarbonylContact C-O 3.54Å; V232-C256 PolarHBondContact N-O 3.29Å |
| 257 | V | 96.1 | Very high | 86.2 | Confident | 15 Ų | 15 | 75 Ų | 75 | 9% | 0.091 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 111.8 | -178.9 | -170.1 | 0 | 0 | 0 | 0 | 110.9 | A223 V232 S234 I249 L254 K255 V259 | A223-V257 HydrophobicContact CB-CG2 3.61Å; V232-V257 HydrophobicContact CB-CG2 4.23Å; V232-V257 CarbonylContact O-C 3.54Å; V232-V257 WeakPolarHBondContact O-CA 3.42Å; S234-V257 WeakPolarHBondContact OG-CG1 3.41Å; I249-V257 HydrophobicContact CD1-CB 3.85Å; I249-V257 HydrophobicContact CD1-CG1 3.46Å; I249-V257 VanDerWaalsContact CD1-CG1 3.46Å; I249-V257 HydrophobicContact CG1-CB 4.07Å; I249-V257 HydrophobicContact CG1-CG1 3.99Å; L254-V257 HydrophobicContact CB-CG2 4.23Å; L254-V257 HydrophobicContact CD1-CG2 4.28Å; K255-V257 PolarHBondContact O-N 3.35Å; V257-V259 HydrophobicContact CG1-CG2 4.42Å |
| 258 | E | 94.2 | Very high | 85.6 | Confident | 63 Ų | 63 | 75.9 Ų | 75.9 | 29% | 0.294 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 128.8 | 175.4 | -65.3 | 172.4 | -133.4 | 0 | 0 | 109.4 | R231 V232 S234 F260 | R231-E258 IonicContact CZ-OE1 3.27Å; R231-E258 VanDerWaalsContact CZ-OE1 3.27Å; R231-E258 IonicContact CZ-OE2 3.91Å; R231-E258 IonicContact NE-OE1 3.11Å; R231-E258 PolarHBondContact NE-OE1 3.25Å; R231-E258 VanDerWaalsContact NH2-CD 3.32Å; R231-E258 IonicContact NH2-OE1 2.96Å; R231-E258 PolarHBondContact NH2-OE1 3.17Å; R231-E258 IonicContact NH2-OE2 2.88Å; R231-E258 PolarHBondContact NH2-OE2 2.94Å; V232-E258 PolarHBondContact O-N 3Å; S234-E258 PolarHBondContact N-O 3.2Å; E258-F260 HydrophobicContact CB-CE2 3.67Å; E258-F260 HydrophobicContact CB-CZ 4.27Å |
| 259 | V | 93.2 | Very high | 85 | Confident | 28 Ų | 28 | 82.7 Ų | 82.7 | 17% | 0.17 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.3 | -174.7 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | S234 V242 L245 I249 V257 | S234-V259 CarbonylContact O-C 3.53Å; S234-V259 WeakPolarHBondContact O-CA 3.34Å; V242-V259 HydrophobicContact CG1-CG1 3.82Å; L245-V259 HydrophobicContact CD2-CB 4.28Å; L245-V259 HydrophobicContact CD2-CG1 3.53Å; L245-V259 HydrophobicContact CD2-CG2 3.75Å; L245-V259 HydrophobicContact CG-CG1 4.27Å; L245-V259 HydrophobicContact CG-CG2 3.88Å; I249-V259 HydrophobicContact CD1-CG2 3.32Å; V257-V259 HydrophobicContact CG1-CG2 4.42Å |
| 260 | F | 87.8 | Confident | 84.3 | Confident | 88 Ų | 88 | 83 Ų | 83 | 39% | 0.386 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139.4 | 177.3 | -60.5 | -89.5 | 0 | 0 | 0 | 110.1 | I233 S234 V235 D236 E258 | I233-F260 HydrophobicContact CG2-CD2 3.71Å; I233-F260 HydrophobicContact CG2-CE2 3.8Å; S234-F260 PolarHBondContact O-N 3.29Å; V235-F260 VanDerWaalsContact CA-O 3.32Å; V235-F260 WeakPolarHBondContact CA-O 3.39Å; V235-F260 HydrophobicContact CG2-CB 4.39Å; D236-F260 PolarHBondContact N-O 2.78Å; E258-F260 HydrophobicContact CB-CE2 3.67Å; E258-F260 HydrophobicContact CB-CZ 4.27Å |
| 261 | R | 86.2 | Confident | 83.7 | Confident | 156 Ų | 156 | 79.4 Ų | 79.4 | 59% | 0.589 | 42% | 0.416 | S | S | * | . | trans | -95.9 | 106.3 | 167.6 | -173.3 | -174.4 | 174.7 | -142 | -12.1 | 108.7 | D236 D237 | D236-R261 WeakPolarHBondContact O-CA 3.48Å; D236-R261 WeakPolarHBondContact O-CG 3.04Å; D237-R261 PolarHBondContact O-NE 2.87Å; D237-R261 IonicContact OD1-NH2 2.73Å | ||
| 262 | A | 76.3 | Confident | 83 | Confident | 25 Ų | 25 | 80.4 Ų | 80.4 | 21% | 0.207 | 43% | 0.425 | C | S | . | . | trans | -154 | 155.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V235 L265 | V235-A262 HydrophobicContact CG1-CB 3.81Å; V235-A262 WeakPolarHBondContact CG1-O 3.28Å; A262-L265 HydrophobicContact CB-CD1 4.02Å; A262-L265 HydrophobicContact CB-CG 4.06Å | ||
| 263 | N | 68.5 | Low | 82.2 | Confident | 122 Ų | 122 | 84.7 Ų | 84.7 | 65% | 0.652 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -90.7 | -35.3 | -175.2 | -64.3 | 9.5 | 0 | 0 | 0 | 112.2 | D237 | D237-N263 WeakPolarHBondContact CB-OD1 3.26Å; D237-N263 PolarHBondContact OD1-OD1 2.89Å |
| 264 | V | 61.1 | Low | 81.3 | Confident | 97 Ų | 97 | 86.8 Ų | 86.8 | 59% | 0.588 | 45% | 0.448 | S | S | * | . | trans | -155 | 132.6 | 178.2 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 265 | L | 63.9 | Low | 80.2 | Confident | 91 Ų | 91 | 90.7 Ų | 90.7 | 48% | 0.476 | 48% | 0.477 | S | S | . | . | trans | -138.5 | 79.9 | 171.1 | -68.2 | 175.1 | 0 | 0 | 0 | 109.4 | V235 A262 | V235-L265 HydrophobicContact CG2-CD1 4.19Å; A262-L265 HydrophobicContact CB-CD1 4.02Å; A262-L265 HydrophobicContact CB-CG 4.06Å | ||
| 266 | L | 72.4 | Confident | 79 | Confident | 65 Ų | 65 | 84.7 Ų | 84.7 | 34% | 0.34 | 46% | 0.456 | S | S | . | . | trans | -104.2 | 114.3 | 163.3 | -165 | 66 | 0 | 0 | 0 | 108.1 | L272 L298 | L266-L272 HydrophobicContact CD1-CB 4.2Å; L266-L298 HydrophobicContact CD2-CD2 3.42Å; L266-L298 VanDerWaalsContact CD2-CD2 3.42Å | ||
| 267 | K | 77.7 | Confident | 78 | Confident | 155 Ų | 155 | 90.3 Ų | 90.3 | 67% | 0.674 | 49% | 0.494 | S | S | * | . | trans | -64.5 | 156.2 | 172.5 | 67.7 | 175 | -175.3 | 179.2 | 0 | 109.8 | N269 G270 | K267-N269 PolarHBondContact O-N 2.92Å; K267-G270 PolarHBondContact O-N 3.46Å | ||
| 268 | P | 80.1 | Confident | 77 | Confident | 116 Ų | 116 | 91.4 Ų | 91.4 | 75% | 0.753 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 131.2 | 166.7 | -25.8 | 34.7 | 0 | 0 | 0 | 110.6 | G270 | P268-G270 PolarHBondContact O-N 3.28Š|
| 269 | N | 80.5 | Confident | 76.3 | Confident | 167 Ų | 167 | 96.5 Ų | 96.5 | 89% | 0.893 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 19.2 | -173.9 | -46.7 | -51.8 | 0 | 0 | 0 | 115.5 | K267 | K267-N269 PolarHBondContact O-N 2.92Š|
| 270 | G | 79.5 | Confident | 75.8 | Confident | 23 Ų | 23 | 98.6 Ų | 98.6 | 24% | 0.237 | 54% | 0.539 | C | S | . | . | trans | -76.2 | 160.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K267 P268 | K267-G270 PolarHBondContact O-N 3.46Å; P268-G270 PolarHBondContact O-N 3.28Å | ||
| 271 | V | 80 | Confident | 75.6 | Confident | 104 Ų | 104 | 98.8 Ų | 98.8 | 63% | 0.63 | 55% | 0.547 | S | S | * | . | trans | -112.5 | 128.3 | 174.4 | 179.8 | 0 | 0 | 0 | 0 | 109.3 | V273 | V271-V273 HydrophobicContact CG1-CG2 4.34Š| ||
| 272 | L | 76.2 | Confident | 75.5 | Confident | 92 Ų | 92 | 94.5 Ų | 94.5 | 48% | 0.482 | 55% | 0.545 | S | S | . | . | trans | -102.4 | 115.7 | 172.9 | 176.6 | 61.3 | 0 | 0 | 0 | 109.2 | L211 L266 | L211-L272 HydrophobicContact CD1-CD1 3.29Å; L266-L272 HydrophobicContact CD1-CB 4.2Å | ||
| 273 | V | 73.2 | Confident | 75.7 | Confident | 94 Ų | 94 | 97.8 Ų | 97.8 | 57% | 0.57 | 56% | 0.556 | S | S | * | * | trans | -94.9 | 117.3 | 173.5 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | V271 | V271-V273 HydrophobicContact CG1-CG2 4.34Š| ||
| 274 | Y | 73.9 | Confident | 76.5 | Confident | 117 Ų | 117 | 93.3 Ų | 93.3 | 46% | 0.459 | 53% | 0.532 | S | S | . | . | trans | -107.1 | 115.5 | 179.6 | -174.6 | -107.8 | 0 | 0 | 0 | 110.3 | T276 E283 L287 V288 | Y274-T276 HydrophobicContact CD1-CG2 4.04Å; Y274-T276 HydrophobicContact CE1-CG2 3.28Å; Y274-E283 WeakPolarHBondContact CE1-O 3.41Å; Y274-E283 PolarHBondContact OH-O 3.17Å; Y274-L287 HydrophobicContact CE1-CB 4.2Å; Y274-L287 HydrophobicContact CE1-CD1 4.4Å; Y274-L287 WeakPolarHBondContact OH-CD1 3.49Å; Y274-V288 HydrophobicContact CD1-CG2 4.12Å | ||
| 275 | S | 70.8 | Confident | 77.8 | Confident | 95 Ų | 95 | 94.2 Ų | 94.2 | 66% | 0.664 | 53% | 0.53 | S | S | * | . | trans | -122.3 | 134.6 | -179.1 | -52.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 276 | T | 71.2 | Confident | 79 | Confident | 56 Ų | 56 | 91.4 Ų | 91.4 | 34% | 0.344 | 52% | 0.522 | S | S | . | . | trans | -119.3 | 164.2 | 179.5 | 68.8 | 0 | 0 | 0 | 0 | 111.1 | Y274 T278 E283 N284 | Y274-T276 HydrophobicContact CD1-CG2 4.04Å; Y274-T276 HydrophobicContact CE1-CG2 3.28Å; T276-T278 PolarHBondContact OG1-O 2.85Å; T276-E283 WeakPolarHBondContact CG2-O 3.38Å; T276-N284 WeakPolarHBondContact CB-OD1 3.36Å; T276-N284 VanDerWaalsContact CG2-OD1 3.25Å; T276-N284 WeakPolarHBondContact CG2-OD1 3.15Å; T276-N284 PolarHBondContact OG1-OD1 3.39Å | ||
| 277 | C | 75.4 | Confident | 79.6 | Confident | 128 Ų | 128 | 91.6 Ų | 91.6 | 87% | 0.865 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -109.1 | 18.3 | 174 | 61.6 | 0 | 0 | 0 | 0 | 112.7 | ||
| 278 | T | 75.4 | Confident | 80.1 | Confident | 37 Ų | 37 | 86.3 Ų | 86.3 | 23% | 0.227 | 50% | 0.504 | C | S | . | . | trans | -125.3 | 149.5 | -172.8 | -177.5 | 0 | 0 | 0 | 0 | 110 | T276 N280 E283 N284 | T276-T278 PolarHBondContact OG1-O 2.85Å; T278-N280 VanDerWaalsContact C-N 3.27Å; T278-N280 HydrophobicContact CG2-CB 4.34Å; T278-N280 VanDerWaalsContact OG1-CB 3.26Å; T278-N280 WeakPolarHBondContact OG1-CB 3.08Å; T278-N280 PolarHBondContact OG1-N 2.85Å; T278-N280 VanDerWaalsContact OG1-N 3.1Å; T278-E283 HydrophobicContact CG2-CB 3.52Å; T278-E283 HydrophobicContact CG2-CG 4.27Å; T278-E283 WeakPolarHBondContact CG2-OE2 3.33Å; T278-N284 PolarHBondContact O-ND2 2.96Å; T278-N284 PolarHBondContact O-OD1 2.78Å | ||
| 279 | L | 79.5 | Confident | 80.6 | Confident | 171 Ų | 171 | 85.3 Ų | 85.3 | 90% | 0.895 | 49% | 0.492 | S | S | * | . | trans | -90.9 | 3.3 | 170.3 | -60.4 | 176.9 | 0 | 0 | 0 | 111.5 | V281 | L279-V281 PolarHBondContact O-N 2.62Š| ||
| 280 | N | 81.9 | Confident | 81 | Confident | 72 Ų | 72 | 83.6 Ų | 83.6 | 39% | 0.385 | 47% | 0.473 | S | S | . | . | trans | -71.6 | 111.2 | -179.3 | -176.5 | 2.6 | 0 | 0 | 0 | 110.1 | T278 A282 E283 N284 | T278-N280 VanDerWaalsContact C-N 3.27Å; T278-N280 HydrophobicContact CG2-CB 4.34Å; T278-N280 VanDerWaalsContact OG1-CB 3.26Å; T278-N280 WeakPolarHBondContact OG1-CB 3.08Å; T278-N280 PolarHBondContact OG1-N 2.85Å; T278-N280 VanDerWaalsContact OG1-N 3.1Å; N280-A282 PolarHBondContact O-N 2.58Å; N280-A282 VanDerWaalsContact O-N 3.1Å; N280-A282 WeakPolarHBondContact OD1-CB 3.32Å; N280-A282 PolarHBondContact OD1-N 2.85Å; N280-E283 HydrophobicContact CB-CB 4.26Å; N280-E283 HydrophobicContact CB-CG 4.39Å; N280-E283 PolarHBondContact ND2-OE1 3Å; N280-E283 PolarHBondContact O-N 2.92Å; N280-N284 VanDerWaalsContact O-CG 3.32Å; N280-N284 PolarHBondContact O-N 2.64Å; N280-N284 VanDerWaalsContact O-N 3.09Å; N280-N284 PolarHBondContact O-ND2 2.85Å | ||
| 281 | V | 84.3 | Confident | 81.3 | Confident | 92 Ų | 92 | 83.5 Ų | 83.5 | 56% | 0.558 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -35.9 | 176.7 | 178.2 | 0 | 0 | 0 | 0 | 112 | L279 E283 N284 E285 G286 | L279-V281 PolarHBondContact O-N 2.62Å; V281-E283 VanDerWaalsContact C-N 3.33Å; V281-E283 PolarHBondContact O-N 3.43Å; V281-N284 CarbonylContact O-C 3.55Å; V281-N284 PolarHBondContact O-N 2.91Å; V281-N284 VanDerWaalsContact O-N 3.15Å; V281-E285 WeakPolarHBondContact CA-OE2 3.46Å; V281-E285 HydrophobicContact CG1-CB 4.26Å; V281-E285 PolarHBondContact O-N 2.77Å; V281-E285 VanDerWaalsContact O-N 3.13Å; V281-G286 PolarHBondContact O-N 2.88Å |
| 282 | A | 83.6 | Confident | 81.7 | Confident | 65 Ų | 65 | 80.8 Ų | 80.8 | 54% | 0.537 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -32.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N280 L287 | N280-A282 PolarHBondContact O-N 2.58Å; N280-A282 VanDerWaalsContact O-N 3.1Å; N280-A282 WeakPolarHBondContact OD1-CB 3.32Å; N280-A282 PolarHBondContact OD1-N 2.85Å; A282-L287 PolarHBondContact O-N 3.46Å |
| 283 | E | 80.3 | Confident | 82.3 | Confident | 94 Ų | 94 | 83.2 Ų | 83.2 | 44% | 0.439 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -13 | 175.5 | -73.9 | 167.9 | -124.2 | 0 | 0 | 111.8 | Y274 T276 T278 N280 V281 L287 | Y274-E283 WeakPolarHBondContact CE1-O 3.41Å; Y274-E283 PolarHBondContact OH-O 3.17Å; T276-E283 WeakPolarHBondContact CG2-O 3.38Å; T278-E283 HydrophobicContact CG2-CB 3.52Å; T278-E283 HydrophobicContact CG2-CG 4.27Å; T278-E283 WeakPolarHBondContact CG2-OE2 3.33Å; N280-E283 HydrophobicContact CB-CB 4.26Å; N280-E283 HydrophobicContact CB-CG 4.39Å; N280-E283 PolarHBondContact ND2-OE1 3Å; N280-E283 PolarHBondContact O-N 2.92Å; V281-E283 VanDerWaalsContact C-N 3.33Å; V281-E283 PolarHBondContact O-N 3.43Å; E283-L287 WeakPolarHBondContact O-CD1 3.25Å |
| 284 | N | 86.7 | Confident | 82.9 | Confident | 29 Ų | 29 | 84.4 Ų | 84.4 | 16% | 0.155 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -100.7 | -178.3 | -65.4 | -14.7 | 0 | 0 | 0 | 109.9 | T276 T278 N280 V281 G286 L287 V288 | T276-N284 WeakPolarHBondContact CB-OD1 3.36Å; T276-N284 VanDerWaalsContact CG2-OD1 3.25Å; T276-N284 WeakPolarHBondContact CG2-OD1 3.15Å; T276-N284 PolarHBondContact OG1-OD1 3.39Å; T278-N284 PolarHBondContact O-ND2 2.96Å; T278-N284 PolarHBondContact O-OD1 2.78Å; N280-N284 VanDerWaalsContact O-CG 3.32Å; N280-N284 PolarHBondContact O-N 2.64Å; N280-N284 VanDerWaalsContact O-N 3.09Å; N280-N284 PolarHBondContact O-ND2 2.85Å; V281-N284 CarbonylContact O-C 3.55Å; V281-N284 PolarHBondContact O-N 2.91Å; V281-N284 VanDerWaalsContact O-N 3.15Å; N284-G286 PolarHBondContact O-N 2.72Å; N284-G286 VanDerWaalsContact O-N 3.16Å; N284-L287 PolarHBondContact O-N 3.28Å; N284-L287 VanDerWaalsContact O-N 3.08Å; N284-V288 PolarHBondContact O-N 2.99Å; N284-V288 VanDerWaalsContact O-N 3.17Å |
| 285 | E | 87.6 | Confident | 83.5 | Confident | 116 Ų | 116 | 82.9 Ų | 82.9 | 54% | 0.542 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -57 | -31.2 | 179.4 | -61.5 | 85.8 | 169.2 | 0 | 0 | 111.9 | V281 V288 N289 | V281-E285 WeakPolarHBondContact CA-OE2 3.46Å; V281-E285 HydrophobicContact CG1-CB 4.26Å; V281-E285 PolarHBondContact O-N 2.77Å; V281-E285 VanDerWaalsContact O-N 3.13Å; E285-V288 PolarHBondContact O-N 3.29Å; E285-N289 WeakPolarHBondContact O-CB 3.19Å; E285-N289 PolarHBondContact O-N 3.02Å |
| 286 | G | 88.2 | Confident | 84.3 | Confident | 31 Ų | 31 | 83.3 Ų | 83.3 | 32% | 0.32 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V281 N284 W290 | V281-G286 PolarHBondContact O-N 2.88Å; N284-G286 PolarHBondContact O-N 2.72Å; N284-G286 VanDerWaalsContact O-N 3.16Å; G286-W290 WeakPolarHBondContact O-CB 3.49Å; G286-W290 PolarHBondContact O-N 2.83Å |
| 287 | L | 86.1 | Confident | 85 | Confident | 69 Ų | 69 | 87.4 Ų | 87.4 | 36% | 0.361 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -73.3 | -35 | 177 | -77.7 | 179.5 | 0 | 0 | 0 | 112.2 | Y274 A282 E283 N284 W290 A291 | Y274-L287 HydrophobicContact CE1-CB 4.2Å; Y274-L287 HydrophobicContact CE1-CD1 4.4Å; Y274-L287 WeakPolarHBondContact OH-CD1 3.49Å; A282-L287 PolarHBondContact O-N 3.46Å; E283-L287 WeakPolarHBondContact O-CD1 3.25Å; N284-L287 PolarHBondContact O-N 3.28Å; N284-L287 VanDerWaalsContact O-N 3.08Å; L287-W290 HydrophobicContact CD2-CE3 4.4Å; L287-A291 WeakPolarHBondContact O-CB 3.45Å; L287-A291 PolarHBondContact O-N 2.69Å |
| 288 | V | 88.1 | Confident | 85.5 | Confident | 45 Ų | 45 | 83.5 Ų | 83.5 | 27% | 0.273 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.6 | -47 | 173.7 | 175.5 | 0 | 0 | 0 | 0 | 110.8 | Y274 N284 E285 A291 L292 L300 | Y274-V288 HydrophobicContact CD1-CG2 4.12Å; N284-V288 PolarHBondContact O-N 2.99Å; N284-V288 VanDerWaalsContact O-N 3.17Å; E285-V288 PolarHBondContact O-N 3.29Å; V288-A291 PolarHBondContact O-N 2.8Å; V288-L292 HydrophobicContact CG1-CD1 4.19Å; V288-L292 WeakPolarHBondContact O-CG 3.42Å; V288-L292 PolarHBondContact O-N 3.39Å; V288-L300 HydrophobicContact CG1-CD2 3.69Å |
| 289 | N | 89.6 | Confident | 86.2 | Confident | 94 Ų | 94 | 87.3 Ų | 87.3 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 177.7 | -171.5 | 47.8 | 0 | 0 | 0 | 111.7 | E285 A291 L292 M293 | E285-N289 WeakPolarHBondContact O-CB 3.19Å; E285-N289 PolarHBondContact O-N 3.02Å; N289-A291 VanDerWaalsContact C-N 3.32Å; N289-A291 PolarHBondContact O-N 3.11Å; N289-L292 PolarHBondContact O-N 2.95Å; N289-M293 WeakPolarHBondContact O-CG 3.33Å; N289-M293 PolarHBondContact O-N 3.06Å |
| 290 | W | 90 | Very high | 86.8 | Confident | 131 Ų | 131 | 85.3 Ų | 85.3 | 50% | 0.496 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -56.9 | -46.5 | 171.8 | 167.1 | 73.2 | 0 | 0 | 0 | 111.5 | G286 L287 L292 M293 E294 Y295 | G286-W290 WeakPolarHBondContact O-CB 3.49Å; G286-W290 PolarHBondContact O-N 2.83Å; L287-W290 HydrophobicContact CD2-CE3 4.4Å; W290-L292 PolarHBondContact O-N 3.31Å; W290-M293 PolarHBondContact O-N 2.68Å; W290-E294 HydrophobicContact CZ2-CB 4.37Å; W290-E294 HydrophobicContact CZ2-CG 4.15Å; W290-E294 WeakPolarHBondContact O-CB 3.39Å; W290-E294 PolarHBondContact O-N 2.86Å; W290-Y295 HydrophobicContact CH2-CE2 4.2Å |
| 291 | A | 85.7 | Confident | 87 | Confident | 21 Ų | 21 | 86.7 Ų | 86.7 | 17% | 0.174 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L287 V288 N289 M293 E294 Y295 L298 | L287-A291 WeakPolarHBondContact O-CB 3.45Å; L287-A291 PolarHBondContact O-N 2.69Å; V288-A291 PolarHBondContact O-N 2.8Å; N289-A291 VanDerWaalsContact C-N 3.32Å; N289-A291 PolarHBondContact O-N 3.11Å; A291-M293 VanDerWaalsContact C-N 3.31Å; A291-M293 PolarHBondContact O-N 3.24Å; A291-E294 PolarHBondContact O-N 2.81Å; A291-Y295 WeakPolarHBondContact O-CB 3.47Å; A291-Y295 WeakPolarHBondContact O-CD2 3.39Å; A291-Y295 PolarHBondContact O-N 3.03Å; A291-L298 HydrophobicContact CB-CD1 4.17Å |
| 292 | L | 88.6 | Confident | 87 | Confident | 48 Ų | 48 | 91.7 Ų | 91.7 | 25% | 0.251 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.1 | -32 | 176.4 | -65.9 | 166.5 | 0 | 0 | 0 | 112.9 | V288 N289 W290 L298 L300 | V288-L292 HydrophobicContact CG1-CD1 4.19Å; V288-L292 WeakPolarHBondContact O-CG 3.42Å; V288-L292 PolarHBondContact O-N 3.39Å; N289-L292 PolarHBondContact O-N 2.95Å; W290-L292 PolarHBondContact O-N 3.31Å; L292-L298 HydrophobicContact CD2-CB 4.04Å; L292-L300 HydrophobicContact CD1-CD1 3.64Å; L292-L300 HydrophobicContact CD1-CD2 4.38Å; L292-L300 HydrophobicContact CD1-CG 3.7Å; L292-L300 HydrophobicContact CD2-CG 4.25Å |
| 293 | M | 89 | Confident | 86.6 | Confident | 142 Ų | 142 | 96.1 Ų | 96.1 | 70% | 0.7 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -76 | -41.3 | 176.1 | -70.8 | 179.4 | 67.9 | 0 | 0 | 112.4 | N289 W290 A291 | N289-M293 WeakPolarHBondContact O-CG 3.33Å; N289-M293 PolarHBondContact O-N 3.06Å; W290-M293 PolarHBondContact O-N 2.68Å; A291-M293 VanDerWaalsContact C-N 3.31Å; A291-M293 PolarHBondContact O-N 3.24Å |
| 294 | E | 85.1 | Confident | 86.4 | Confident | 119 Ų | 119 | 96 Ų | 96 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -76.9 | -31.1 | -177.6 | -166.3 | 69.3 | -155.3 | 0 | 0 | 112.2 | W290 A291 | W290-E294 HydrophobicContact CZ2-CB 4.37Å; W290-E294 HydrophobicContact CZ2-CG 4.15Å; W290-E294 WeakPolarHBondContact O-CB 3.39Å; W290-E294 PolarHBondContact O-N 2.86Å; A291-E294 PolarHBondContact O-N 2.81Å |
| 295 | Y | 85.9 | Confident | 85.7 | Confident | 85 Ų | 85 | 100.6 Ų | 100.6 | 33% | 0.333 | 54% | 0.537 | S | S | . | . | trans | -124.7 | 83.2 | -179 | -54.7 | -82.7 | 0 | 0 | 0 | 110.2 | W290 A291 E297 L298 | W290-Y295 HydrophobicContact CH2-CE2 4.2Å; A291-Y295 WeakPolarHBondContact O-CB 3.47Å; A291-Y295 WeakPolarHBondContact O-CD2 3.39Å; A291-Y295 PolarHBondContact O-N 3.03Å; Y295-E297 PolarHBondContact O-N 3.22Å; Y295-L298 HydrophobicContact CD2-CD1 4.28Å; Y295-L298 HydrophobicContact CG-CD1 4.3Å; Y295-L298 WeakPolarHBondContact O-CB 3.34Å; Y295-L298 PolarHBondContact O-N 2.77Å | ||
| 296 | P | 87.7 | Confident | 84.5 | Confident | 105 Ų | 105 | 102.8 Ų | 102.8 | 68% | 0.682 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -17.2 | -177.7 | -24.4 | 34.8 | 0 | 0 | 0 | 114.9 | L298 | P296-L298 VanDerWaalsContact C-N 3.26Š|
| 297 | E | 86.9 | Confident | 83.1 | Confident | 142 Ų | 142 | 107.5 Ų | 107.5 | 66% | 0.664 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -15.4 | 172.3 | 63 | -89.2 | -160 | 0 | 0 | 114.1 | Y295 | Y295-E297 PolarHBondContact O-N 3.22Š|
| 298 | L | 86.2 | Confident | 81 | Confident | 46 Ų | 46 | 109.4 Ų | 109.4 | 24% | 0.241 | 60% | 0.601 | C | S | . | * | trans | -79.4 | 137.8 | 175.5 | -64.2 | -178.4 | 0 | 0 | 0 | 110.6 | L266 A291 L292 Y295 P296 | L266-L298 HydrophobicContact CD2-CD2 3.42Å; L266-L298 VanDerWaalsContact CD2-CD2 3.42Å; A291-L298 HydrophobicContact CB-CD1 4.17Å; L292-L298 HydrophobicContact CD2-CB 4.04Å; Y295-L298 HydrophobicContact CD2-CD1 4.28Å; Y295-L298 HydrophobicContact CG-CD1 4.3Å; Y295-L298 WeakPolarHBondContact O-CB 3.34Å; Y295-L298 PolarHBondContact O-N 2.77Å; P296-L298 VanDerWaalsContact C-N 3.26Å | ||
| 299 | T | 90.3 | Very high | 80.7 | Confident | 117 Ų | 117 | 112.7 Ų | 112.7 | 72% | 0.718 | 62% | 0.617 | S | S | * | * | trans | -122.8 | 143.5 | 170.7 | 55 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 300 | L | 90.4 | Very high | 80.2 | Confident | 128 Ų | 128 | 113.6 Ų | 113.6 | 67% | 0.67 | 62% | 0.623 | S | S | * | * | trans | -68.7 | 135.8 | 171.6 | -83.8 | 168.7 | 0 | 0 | 0 | 110.2 | V288 L292 | V288-L300 HydrophobicContact CG1-CD2 3.69Å; L292-L300 HydrophobicContact CD1-CD1 3.64Å; L292-L300 HydrophobicContact CD1-CD2 4.38Å; L292-L300 HydrophobicContact CD1-CG 3.7Å; L292-L300 HydrophobicContact CD2-CG 4.25Å | ||
| 301 | V | 86.5 | Confident | 79.7 | Confident | 101 Ų | 101 | 112.7 Ų | 112.7 | 61% | 0.612 | 63% | 0.631 | S | S | * | * | trans | -107.8 | 129.4 | 170.1 | -177.2 | 0 | 0 | 0 | 0 | 107.6 | Q303 | V301-Q303 PolarHBondContact O-N 2.65Š| ||
| 302 | E | 84.3 | Confident | 79.3 | Confident | 197 Ų | 197 | 118.1 Ų | 118.1 | 92% | 0.921 | 66% | 0.657 | S | S | * | * | trans | -64.3 | 133.4 | 178.2 | -169.8 | 174.2 | -169 | 0 | 0 | 110.6 | ||||
| 303 | Q | 74.5 | Confident | 78.7 | Confident | 159 Ų | 159 | 122.4 Ų | 122.4 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | trans | -125.3 | 128.6 | 179.5 | -175.4 | 169.6 | -20 | 0 | 0 | 110.3 | V301 | V301-Q303 PolarHBondContact O-N 2.65Š| ||
| 304 | A | 76.2 | Confident | 78 | Confident | 92 Ų | 92 | 121.1 Ų | 121.1 | 76% | 0.76 | 68% | 0.682 | S | S | * | * | trans | -76.7 | 142.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y306 | A304-Y306 PolarHBondContact O-N 2.76Š| ||
| 305 | T | 73.4 | Confident | 77.5 | Confident | 125 Ų | 125 | 121.3 Ų | 121.3 | 77% | 0.767 | 69% | 0.691 | S | S | * | * | trans | -62.6 | 126.2 | 175.7 | -51.5 | 0 | 0 | 0 | 0 | 110.6 | T307 | T305-T307 HydrophobicContact CG2-CG2 4.47Å; T305-T307 PolarHBondContact O-N 3.42Å | ||
| 306 | Y | 62.5 | Low | 76.9 | Confident | 161 Ų | 161 | 124.1 Ų | 124.1 | 63% | 0.631 | 72% | 0.718 | S | S | * | * | trans | -73.8 | 113.1 | 172.3 | -176.6 | -91.9 | 0 | 0 | 0 | 109.9 | A304 | A304-Y306 PolarHBondContact O-N 2.76Š| ||
| 307 | T | 58.2 | Low | 76 | Confident | 131 Ų | 131 | 125.7 Ų | 125.7 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | trans | -107.1 | 12.8 | 178.8 | 60.5 | 0 | 0 | 0 | 0 | 113.6 | T305 | T305-T307 HydrophobicContact CG2-CG2 4.47Å; T305-T307 PolarHBondContact O-N 3.42Å | ||
| 308 | G | 42.6 | Very low | 75 | Confident | 109 Ų | 109 | 124.2 Ų | 124.2 | 100% | 1.124 | 73% | 0.726 | S | S | * | * | trans | -68.6 | 0 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 |
Retrieved 308 of 308 residues in 1727 ms
(Link to these results)