| 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 | 36.7 | Very low | 65.9 | Low | 243 Ų | 243 | 56.6 Ų | 56.6 | 100% | 1.197 | 33% | 0.325 | S | S | * | . | 0 | 133.9 | 0 | -62.5 | -176.6 | -145.4 | 0 | 0 | 107.2 | |||||
| 2 | A | 39.4 | Very low | 68.6 | Low | 104 Ų | 104 | 51.9 Ų | 51.9 | 86% | 0.86 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 139.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | A4 | A2-A4 PolarHBondContact O-N 2.72Š|
| 3 | Q | 45.4 | Very low | 70.9 | Confident | 146 Ų | 146 | 47.9 Ų | 47.9 | 68% | 0.682 | 28% | 0.275 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 132.6 | 172.3 | -94.1 | 176.5 | -11.9 | 0 | 0 | 109.3 | L237 | Q3-L237 HydrophobicContact CB-CD1 4.31Š|
| 4 | A | 49.9 | Very low | 72.9 | Confident | 38 Ų | 38 | 44.6 Ų | 44.6 | 31% | 0.314 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 144.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A2 S276 | A2-A4 PolarHBondContact O-N 2.72Å; A4-S276 VanDerWaalsContact CB-CB 3.46Å; A4-S276 WeakPolarHBondContact CB-OG 3.35Å |
| 5 | P | 51.3 | Low | 74.6 | Confident | 35 Ų | 35 | 43.2 Ų | 43.2 | 23% | 0.227 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 140.6 | -177.8 | 25.1 | -33.2 | 0 | 0 | 0 | 112.4 | L237 R241 | P5-L237 HydrophobicContact CB-CB 3.95Å; P5-R241 HydrophobicContact CB-CG 4.3Å; P5-R241 HydrophobicContact CG-CG 4.49Å |
| 6 | M | 63.1 | Low | 76 | Confident | 50 Ų | 50 | 46.1 Ų | 46.1 | 25% | 0.246 | 27% | 0.27 | C | S | . | . | trans | -124.1 | 81.6 | 176.2 | -65.1 | -179.2 | -68.1 | 0 | 0 | 109.9 | R234 F279 | M6-R234 HydrophobicContact CB-CB 4.14Å; M6-R234 HydrophobicContact CE-CB 4.08Å; M6-R234 PolarHBondContact O-NE 3.16Å; M6-R234 PolarHBondContact O-NH2 2.72Å; M6-F279 HydrophobicContact CG-CD2 4.35Å; M6-F279 HydrophobicContact SD-CD2 3.94Å; M6-F279 HydrophobicContact SD-CE2 3.7Å; M6-F279 HydrophobicContact SD-CZ 4.34Å | ||
| 7 | S | 68.9 | Low | 77.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -138.5 | 145.3 | -174.3 | -171.1 | 0 | 0 | 0 | 0 | 109.8 | D30 N189 A238 R241 | S7-D30 WeakPolarHBondContact O-CB 3.49Å; S7-N189 WeakPolarHBondContact CA-OD1 3.29Å; S7-N189 WeakPolarHBondContact CB-OD1 3.45Å; S7-N189 WeakPolarHBondContact OG-CB 3.19Å; S7-N189 PolarHBondContact OG-N 2.94Å; S7-N189 VanDerWaalsContact OG-N 3.12Å; S7-N189 PolarHBondContact OG-OD1 3.03Å; S7-A238 WeakPolarHBondContact OG-CB 3.26Å; S7-R241 PolarHBondContact O-NH1 2.9Å; S7-R241 PolarHBondContact O-NH2 3.46Å | ||
| 8 | C | 81.4 | Confident | 78.4 | Confident | 7 Ų | 7 | 41.4 Ų | 41.4 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | trans | -81.6 | 167 | 155.7 | -60.7 | 0 | 0 | 0 | 0 | 109.2 | N28 D30 E94 N189 | C8-N28 WeakPolarHBondContact CB-O 3.39Å; C8-D30 PolarHBondContact SG-N 3.42Å; C8-E94 HydrophobicContact CB-CB 4.49Å; C8-E94 HydrophobicContact CB-CG 3.83Å; C8-N189 PolarHBondContact N-OD1 3.14Å; C8-N189 PolarHBondContact O-OD1 3.15Å | ||
| 9 | D | 93.1 | Very high | 79.4 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 138 | 170.7 | -63.4 | -60.4 | 0 | 0 | 0 | 110.8 | F11 K27 N28 I187 S188 R241 | D9-F11 HydrophobicContact CB-CD2 4.43Å; D9-F11 HydrophobicContact CB-CE2 3.47Å; D9-F11 VanDerWaalsContact CB-CE2 3.47Å; D9-F11 HydrophobicContact CB-CZ 3.73Å; D9-K27 WeakPolarHBondContact O-CA 3.21Å; D9-N28 PolarHBondContact O-N 2.92Å; D9-I187 WeakPolarHBondContact CA-O 3.4Å; D9-S188 VanDerWaalsContact OD1-CB 3.29Å; D9-S188 WeakPolarHBondContact OD1-CB 3.47Å; D9-S188 PolarHBondContact OD1-OG 3.19Å; D9-R241 IonicContact OD1-NE 2.64Å; D9-R241 IonicContact OD2-CZ 2.84Å; D9-R241 IonicContact OD2-NE 2.8Å; D9-R241 PolarHBondContact OD2-NE 3.04Å; D9-R241 IonicContact OD2-NH2 3.74Å; D9-R241 PolarHBondContact OD2-NH2 2.86Å |
| 10 | C | 97 | Very high | 80.2 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 147.7 | 166.9 | -75.7 | 0 | 0 | 0 | 0 | 110.7 | F25 G26 K27 E94 L158 N186 I187 | C10-F25 HydrophobicContact CB-CE2 4.47Å; C10-G26 CarbonylContact C-O 3.57Å; C10-G26 VanDerWaalsContact CA-O 3.31Å; C10-G26 WeakPolarHBondContact CA-O 3.5Å; C10-K27 WeakPolarHBondContact SG-CG 3.17Å; C10-E94 WeakPolarHBondContact CB-OE1 3.25Å; C10-E94 PolarHBondContact N-OE1 3.43Å; C10-E94 VanDerWaalsContact N-OE1 3.15Å; C10-E94 PolarHBondContact SG-OE1 2.9Å; C10-L158 HydrophobicContact CB-CB 3.9Å; C10-L158 HydrophobicContact CB-CD2 3.66Å; C10-L158 HydrophobicContact CB-CG 4.45Å; C10-N186 CarbonylContact O-C 3.54Å; C10-N186 WeakPolarHBondContact O-CA 3.48Å; C10-N186 VanDerWaalsContact O-CB 3.3Å; C10-N186 WeakPolarHBondContact O-CB 3.36Å; C10-I187 HydrophobicContact CB-CD1 4.31Å; C10-I187 HydrophobicContact CB-CG1 3.73Å; C10-I187 PolarHBondContact N-O 3.41Å; C10-I187 PolarHBondContact O-N 3.02Å |
| 11 | F | 98.6 | Very high | 81 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 146.7 | -180 | -55.9 | -94.5 | 0 | 0 | 0 | 109.8 | D9 F25 G26 K185 N186 L249 M261 I264 L265 I272 | D9-F11 HydrophobicContact CB-CD2 4.43Å; D9-F11 HydrophobicContact CB-CE2 3.47Å; D9-F11 VanDerWaalsContact CB-CE2 3.47Å; D9-F11 HydrophobicContact CB-CZ 3.73Å; F11-F25 WeakPolarHBondContact O-CA 3.32Å; F11-G26 PolarHBondContact N-O 2.83Å; F11-G26 PolarHBondContact O-N 2.9Å; F11-K185 CarbonylContact C-O 3.45Å; F11-K185 WeakPolarHBondContact CA-O 3.21Å; F11-N186 HydrophobicContact CD1-CB 3.42Å; F11-N186 VanDerWaalsContact CD1-CB 3.42Å; F11-N186 HydrophobicContact CE1-CB 3.7Å; F11-N186 HydrophobicContact CG-CB 4.18Å; F11-L249 HydrophobicContact CB-CD2 4.39Å; F11-L249 HydrophobicContact CD1-CD2 4.09Å; F11-M261 HydrophobicContact CB-CE 3.72Å; F11-M261 HydrophobicContact CB-SD 3.56Å; F11-M261 VanDerWaalsContact CB-SD 3.56Å; F11-M261 HydrophobicContact CD2-SD 4.42Å; F11-M261 HydrophobicContact CG-SD 4.1Å; F11-I264 HydrophobicContact CD1-CG2 4.31Å; F11-I264 HydrophobicContact CE1-CG2 3.94Å; F11-I264 HydrophobicContact CE2-CG2 4.25Å; F11-I264 HydrophobicContact CZ-CG2 3.92Å; F11-L265 HydrophobicContact CD2-CD2 3.77Å; F11-L265 HydrophobicContact CE2-CD2 3.74Å; F11-I272 HydrophobicContact CE1-CD1 4.37Å; F11-I272 HydrophobicContact CE2-CG2 4.08Å; F11-I272 HydrophobicContact CZ-CD1 3.76Å; F11-I272 HydrophobicContact CZ-CG1 4.13Å; F11-I272 HydrophobicContact CZ-CG2 4.13Å |
| 12 | V | 98.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 142.2 | 168.1 | 64.8 | 0 | 0 | 0 | 0 | 110.3 | L14 V23 I24 L158 V160 A165 V184 K185 | V12-L14 HydrophobicContact CB-CD1 4.49Å; V12-L14 HydrophobicContact CG1-CD1 4.02Å; V12-L14 HydrophobicContact CG2-CD1 3.68Å; V12-L14 HydrophobicContact CG2-CG 4.08Å; V12-V23 HydrophobicContact CG2-CG1 3.94Å; V12-I24 CarbonylContact C-O 3.5Å; V12-I24 VanDerWaalsContact CA-O 3.26Å; V12-I24 WeakPolarHBondContact CA-O 3.49Å; V12-L158 HydrophobicContact CB-CD2 4Å; V12-L158 HydrophobicContact CG1-CD1 4.2Å; V12-L158 HydrophobicContact CG1-CD2 4.08Å; V12-V160 HydrophobicContact CB-CG2 4.15Å; V12-V160 HydrophobicContact CG2-CG1 3.76Å; V12-V160 HydrophobicContact CG2-CG2 3.89Å; V12-A165 HydrophobicContact CG1-CB 4.01Å; V12-A165 HydrophobicContact CG2-CB 4.15Å; V12-V184 WeakPolarHBondContact O-CA 3.31Å; V12-K185 HydrophobicContact CG1-CB 3.91Å; V12-K185 PolarHBondContact N-O 3.35Å; V12-K185 PolarHBondContact O-N 3.28Å |
| 13 | S | 98.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 124 | 164.1 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | G17 S18 V23 I24 G183 | S13-G17 PolarHBondContact OG-O 3.46Å; S13-G17 VanDerWaalsContact OG-O 3.14Å; S13-S18 WeakPolarHBondContact CB-OG 3.3Å; S13-S18 PolarHBondContact O-OG 3.44Å; S13-S18 PolarHBondContact OG-N 2.98Å; S13-S18 VanDerWaalsContact OG-N 3.12Å; S13-S18 PolarHBondContact OG-OG 3.12Å; S13-V23 CarbonylContact O-C 3.5Å; S13-V23 WeakPolarHBondContact O-CA 3.37Å; S13-I24 PolarHBondContact N-O 2.95Å; S13-I24 PolarHBondContact O-N 3.45Å; S13-G183 WeakPolarHBondContact CA-O 3.38Å |
| 14 | L | 98.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 148.1 | 172 | -59.2 | 100.5 | 0 | 0 | 0 | 108.5 | V12 G17 V23 A165 V180 G183 | V12-L14 HydrophobicContact CB-CD1 4.49Å; V12-L14 HydrophobicContact CG1-CD1 4.02Å; V12-L14 HydrophobicContact CG2-CD1 3.68Å; V12-L14 HydrophobicContact CG2-CG 4.08Å; L14-G17 WeakPolarHBondContact O-CA 3.48Å; L14-G17 PolarHBondContact O-N 2.98Å; L14-V23 HydrophobicContact CB-CG2 4.44Å; L14-V23 HydrophobicContact CD2-CG1 4.43Å; L14-V23 HydrophobicContact CD2-CG2 4.11Å; L14-V23 HydrophobicContact CG-CG1 4.12Å; L14-V23 HydrophobicContact CG-CG2 4.2Å; L14-A165 HydrophobicContact CD1-CB 4.07Å; L14-A165 HydrophobicContact CD2-CB 4.48Å; L14-V180 HydrophobicContact CD1-CG1 3.92Å; L14-G183 PolarHBondContact N-O 2.73Å; L14-G183 PolarHBondContact O-N 3.49Å |
| 15 | P | 97.6 | Very high | 91.6 | Very high | 24 Ų | 24 | 25.7 Ų | 25.7 | 16% | 0.156 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 137.7 | 172.2 | -28 | 38.3 | 0 | 0 | 0 | 111.1 | H22 E182 | P15-H22 WeakPolarHBondContact CD-O 3.5Å; P15-H22 WeakPolarHBondContact CG-O 3.2Å; P15-E182 WeakPolarHBondContact O-CA 3.39Å; P15-E182 WeakPolarHBondContact O-CB 3.28Å |
| 16 | P | 97.1 | Very high | 93.8 | Very high | 90 Ų | 90 | 24 Ų | 24 | 58% | 0.584 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -86.5 | 8.2 | 8.8 | 36.9 | -35 | 0 | 0 | 0 | 114.4 | S18 G254 | P16-S18 VanDerWaalsContact C-N 3.31Å; P16-S18 PolarHBondContact O-N 3.46Å; P16-G254 VanDerWaalsContact O-CA 3.32Å; P16-G254 WeakPolarHBondContact O-CA 3.19Å |
| 17 | G | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -71.7 | -21.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S13 L14 D253 G254 S255 V256 | S13-G17 PolarHBondContact OG-O 3.46Å; S13-G17 VanDerWaalsContact OG-O 3.14Å; L14-G17 WeakPolarHBondContact O-CA 3.48Å; L14-G17 PolarHBondContact O-N 2.98Å; G17-D253 WeakPolarHBondContact CA-OD1 3.38Å; G17-G254 CarbonylContact O-C 3.54Å; G17-G254 WeakPolarHBondContact O-CA 3.26Å; G17-G254 PolarHBondContact O-N 3.35Å; G17-S255 PolarHBondContact O-N 2.64Å; G17-V256 WeakPolarHBondContact O-CG2 3.29Å; G17-V256 PolarHBondContact O-N 3.49Å |
| 18 | S | 97.9 | Very high | 96.9 | Very high | 7 Ų | 7 | 21.7 Ų | 21.7 | 5% | 0.049 | 11% | 0.112 | C | C | . | . | B | Isolated β-bridge | trans | -88.6 | 149 | 172.4 | -68.8 | 0 | 0 | 0 | 0 | 110.9 | S13 P16 D20 H22 | S13-S18 WeakPolarHBondContact CB-OG 3.3Å; S13-S18 PolarHBondContact O-OG 3.44Å; S13-S18 PolarHBondContact OG-N 2.98Å; S13-S18 VanDerWaalsContact OG-N 3.12Å; S13-S18 PolarHBondContact OG-OG 3.12Å; P16-S18 VanDerWaalsContact C-N 3.31Å; P16-S18 PolarHBondContact O-N 3.46Å; S18-D20 VanDerWaalsContact C-N 3.34Å; S18-D20 WeakPolarHBondContact CB-O 3.42Å; S18-H22 WeakPolarHBondContact CB-O 3.5Å; S18-H22 PolarHBondContact OG-O 3.5Å |
| 19 | R | 97.1 | Very high | 97.6 | Very high | 130 Ų | 130 | 21.3 Ų | 21.3 | 49% | 0.491 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -60.3 | -46.1 | 178.2 | -178.6 | -171.4 | 69.3 | -165.6 | -4.8 | 111.7 | V256 T257 | R19-V256 PolarHBondContact N-O 3.45Å; R19-T257 HydrophobicContact CB-CG2 3.99Å; R19-T257 VanDerWaalsContact CZ-CG2 3.46Å |
| 20 | D | 95.8 | Very high | 97.7 | Very high | 68 Ų | 68 | 21.4 Ų | 21.4 | 36% | 0.364 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -104.7 | 169.8 | -178.7 | -52.9 | -54.5 | 0 | 0 | 0 | 109.6 | S18 H22 | S18-D20 VanDerWaalsContact C-N 3.34Å; S18-D20 WeakPolarHBondContact CB-O 3.42Å; D20-H22 PolarHBondContact O-N 3.35Å |
| 21 | D | 96.6 | Very high | 97.5 | Very high | 92 Ų | 92 | 21.6 Ų | 21.6 | 49% | 0.492 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -76.7 | 53.2 | 178.4 | -163 | 39.1 | 0 | 0 | 0 | 112 | R291 | D21-R291 WeakPolarHBondContact O-CG 3.5Å; D21-R291 PolarHBondContact O-N 3.35Å; D21-R291 VanDerWaalsContact O-N 3.07Å; D21-R291 WeakPolarHBondContact OD1-CD 3.38Å; D21-R291 IonicContact OD1-NH1 3Å |
| 22 | H | 97.1 | Very high | 97.3 | Very high | 30 Ų | 30 | 22 Ų | 22 | 14% | 0.139 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 147.5 | -178.4 | -54.3 | 157.6 | 0 | 0 | 0 | 109.4 | P15 S18 D20 V288 L289 | P15-H22 WeakPolarHBondContact CD-O 3.5Å; P15-H22 WeakPolarHBondContact CG-O 3.2Å; S18-H22 WeakPolarHBondContact CB-O 3.5Å; S18-H22 PolarHBondContact OG-O 3.5Å; D20-H22 PolarHBondContact O-N 3.35Å; H22-V288 HydrophobicContact CB-CG1 3.89Å; H22-L289 WeakPolarHBondContact CA-O 3.11Å |
| 23 | V | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 133 | 163.8 | 176.4 | 0 | 0 | 0 | 0 | 108.7 | V12 S13 L14 V160 L289 | V12-V23 HydrophobicContact CG2-CG1 3.94Å; S13-V23 CarbonylContact O-C 3.5Å; S13-V23 WeakPolarHBondContact O-CA 3.37Å; L14-V23 HydrophobicContact CB-CG2 4.44Å; L14-V23 HydrophobicContact CD2-CG1 4.43Å; L14-V23 HydrophobicContact CD2-CG2 4.11Å; L14-V23 HydrophobicContact CG-CG1 4.12Å; L14-V23 HydrophobicContact CG-CG2 4.2Å; V23-V160 HydrophobicContact CG1-CG1 3.33Å; V23-L289 HydrophobicContact CB-CB 4.23Å; V23-L289 PolarHBondContact N-O 3.39Å; V23-L289 PolarHBondContact O-N 2.87Å |
| 24 | I | 98.8 | Very high | 96.6 | Very high | 5 Ų | 5 | 31.4 Ų | 31.4 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 122.1 | -179 | -58.6 | 168.4 | 0 | 0 | 0 | 109.4 | V12 S13 V256 T257 M261 V286 S287 | V12-I24 CarbonylContact C-O 3.5Å; V12-I24 VanDerWaalsContact CA-O 3.26Å; V12-I24 WeakPolarHBondContact CA-O 3.49Å; S13-I24 PolarHBondContact N-O 2.95Å; S13-I24 PolarHBondContact O-N 3.45Å; I24-V256 HydrophobicContact CB-CG1 4.45Å; I24-V256 HydrophobicContact CD1-CB 4.39Å; I24-V256 HydrophobicContact CD1-CG1 3.94Å; I24-V256 WeakPolarHBondContact CD1-O 3.38Å; I24-V256 HydrophobicContact CG2-CG1 4.38Å; I24-T257 VanDerWaalsContact CD1-CA 3.49Å; I24-M261 HydrophobicContact CG2-CB 3.94Å; I24-M261 HydrophobicContact CG2-CE 3.98Å; I24-M261 HydrophobicContact CG2-CG 4.17Å; I24-V286 HydrophobicContact CG2-CG1 4.37Å; I24-S287 CarbonylContact C-O 3.55Å; I24-S287 VanDerWaalsContact CA-O 3.28Å; I24-S287 WeakPolarHBondContact CA-O 3.25Å |
| 25 | F | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 144.4 | 176.7 | 170.1 | -100.6 | 0 | 0 | 0 | 110.3 | C10 F11 K27 C90 L158 V160 M285 V286 S287 | C10-F25 HydrophobicContact CB-CE2 4.47Å; F11-F25 WeakPolarHBondContact O-CA 3.32Å; F25-K27 HydrophobicContact CE1-CB 3.98Å; F25-K27 HydrophobicContact CZ-CB 3.81Å; F25-K27 HydrophobicContact CZ-CG 4.48Å; F25-C90 HydrophobicContact CB-CB 4.32Å; F25-C90 HydrophobicContact CD1-CB 3.76Å; F25-C90 HydrophobicContact CD2-CB 4.48Å; F25-C90 HydrophobicContact CE1-CB 4.15Å; F25-C90 HydrophobicContact CG-CB 3.94Å; F25-L158 HydrophobicContact CD2-CD2 4.16Å; F25-L158 HydrophobicContact CE2-CB 4.42Å; F25-L158 HydrophobicContact CE2-CD2 4.02Å; F25-L158 HydrophobicContact CE2-CG 4.29Å; F25-V160 HydrophobicContact CD2-CB 4.43Å; F25-V160 HydrophobicContact CD2-CG2 3.7Å; F25-V160 HydrophobicContact CE2-CG2 4.34Å; F25-V160 HydrophobicContact CG-CG2 4.47Å; F25-M285 HydrophobicContact CE1-SD 4.11Å; F25-V286 CarbonylContact O-C 3.57Å; F25-V286 VanDerWaalsContact O-CA 3.26Å; F25-V286 WeakPolarHBondContact O-CA 3.26Å; F25-S287 PolarHBondContact N-O 3.07Å; F25-S287 PolarHBondContact O-N 2.99Å |
| 26 | G | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 140.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | C10 F11 M285 | C10-G26 CarbonylContact C-O 3.57Å; C10-G26 VanDerWaalsContact CA-O 3.31Å; C10-G26 WeakPolarHBondContact CA-O 3.5Å; F11-G26 PolarHBondContact N-O 2.83Å; F11-G26 PolarHBondContact O-N 2.9Å; G26-M285 CarbonylContact C-O 3.53Å; G26-M285 VanDerWaalsContact CA-O 3.3Å; G26-M285 WeakPolarHBondContact CA-O 3.13Å |
| 27 | K | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 133.3 | 177.3 | -167.3 | -96.2 | 175.8 | 144 | 0 | 112.5 | D9 C10 F25 E81 M82 S284 M285 | D9-K27 WeakPolarHBondContact O-CA 3.21Å; C10-K27 WeakPolarHBondContact SG-CG 3.17Å; F25-K27 HydrophobicContact CE1-CB 3.98Å; F25-K27 HydrophobicContact CZ-CB 3.81Å; F25-K27 HydrophobicContact CZ-CG 4.48Å; K27-E81 VanDerWaalsContact NZ-C 3.28Å; K27-E81 VanDerWaalsContact NZ-CB 3.34Å; K27-E81 PolarHBondContact NZ-O 3.16Å; K27-E81 IonicContact NZ-OE2 2.81Å; K27-E81 PolarHBondContact NZ-OE2 3.47Å; K27-M82 HydrophobicContact CB-CB 4.4Å; K27-M82 HydrophobicContact CB-SD 3.64Å; K27-M82 HydrophobicContact CD-CB 3.84Å; K27-M82 HydrophobicContact CD-CE 4.41Å; K27-M82 HydrophobicContact CD-CG 3.9Å; K27-M82 HydrophobicContact CD-SD 3.19Å; K27-M82 WeakPolarHBondContact CD-SD 3.47Å; K27-M82 HydrophobicContact CG-CB 4.27Å; K27-M82 HydrophobicContact CG-SD 3.89Å; K27-S284 WeakPolarHBondContact O-CA 3.24Å; K27-S284 PolarHBondContact O-OG 2.93Å; K27-M285 PolarHBondContact N-O 3.48Å; K27-M285 PolarHBondContact O-N 3.36Å |
| 28 | N | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 131.8 | 164.5 | -87 | -5.7 | 0 | 0 | 0 | 110.2 | C8 D9 L265 I272 T281 S284 | C8-N28 WeakPolarHBondContact CB-O 3.39Å; D9-N28 PolarHBondContact O-N 2.92Å; N28-L265 HydrophobicContact CB-CD2 4.31Å; N28-L265 PolarHBondContact ND2-O 3.21Å; N28-I272 PolarHBondContact ND2-O 3.39Å; N28-T281 HydrophobicContact CB-CG2 3.76Å; N28-S284 WeakPolarHBondContact OD1-CB 3.26Å; N28-S284 PolarHBondContact OD1-OG 3.28Å |
| 29 | S | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 110.4 | 175.4 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | Q37 E81 T281 T282 G283 | S29-Q37 PolarHBondContact OG-NE2 2.92Å; S29-E81 WeakPolarHBondContact OG-CB 3.48Å; S29-E81 VanDerWaalsContact OG-CD 3.23Å; S29-E81 VanDerWaalsContact OG-CG 3.24Å; S29-E81 WeakPolarHBondContact OG-CG 3.38Å; S29-E81 PolarHBondContact OG-OE2 2.99Å; S29-T281 CarbonylContact O-C 3.53Å; S29-T281 WeakPolarHBondContact O-CA 3.43Å; S29-T282 PolarHBondContact O-N 2.92Å; S29-T282 PolarHBondContact O-OG1 2.82Å; S29-G283 PolarHBondContact N-O 3.22Å |
| 30 | D | 94.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.011 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 105.3 | -171.6 | -79.4 | 14.7 | 0 | 0 | 0 | 109.9 | S7 C8 R241 M274 C280 T281 | S7-D30 WeakPolarHBondContact O-CB 3.49Å; C8-D30 PolarHBondContact SG-N 3.42Å; D30-R241 IonicContact OD2-CZ 3.26Å; D30-R241 IonicContact OD2-NH1 3.35Å; D30-R241 PolarHBondContact OD2-NH1 2.76Å; D30-R241 IonicContact OD2-NH2 2.79Å; D30-R241 PolarHBondContact OD2-NH2 3.3Å; D30-M274 HydrophobicContact CB-CE 3.42Å; D30-M274 VanDerWaalsContact CB-CE 3.42Å; D30-M274 WeakPolarHBondContact OD2-CB 3.37Å; D30-M274 WeakPolarHBondContact OD2-CE 3.44Å; D30-C280 WeakPolarHBondContact CA-O 3.47Å; D30-T281 WeakPolarHBondContact OD1-CA 3.48Å; D30-T281 VanDerWaalsContact OD1-CB 3.26Å; D30-T281 WeakPolarHBondContact OD1-CB 2.9Å; D30-T281 PolarHBondContact OD1-OG1 3.19Å |
| 31 | R | 93.9 | Very high | 96.4 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.015 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 166.4 | -168.2 | -62.2 | -68.1 | -53.9 | 151 | 9.8 | 110.4 | R33 E35 C144 F279 C280 T282 | R31-R33 PolarHBondContact O-N 3.29Å; R31-E35 HydrophobicContact CB-CB 4.36Å; R31-E35 IonicContact CZ-OE1 3.75Å; R31-E35 IonicContact CZ-OE2 2.85Å; R31-E35 IonicContact NE-OE1 3.68Å; R31-E35 PolarHBondContact NE-OE1 2.93Å; R31-E35 IonicContact NE-OE2 2.88Å; R31-E35 PolarHBondContact NE-OE2 3.14Å; R31-E35 IonicContact NH2-OE1 3.96Å; R31-E35 PolarHBondContact NH2-OE1 3.31Å; R31-E35 IonicContact NH2-OE2 2.85Å; R31-E35 PolarHBondContact NH2-OE2 3.13Å; R31-C144 VanDerWaalsContact CZ-O 3.24Å; R31-C144 PolarHBondContact NH1-O 3.03Å; R31-C144 PolarHBondContact NH2-O 3.32Å; R31-F279 VanDerWaalsContact O-CA 3.25Å; R31-F279 WeakPolarHBondContact O-CA 3.36Å; R31-F279 WeakPolarHBondContact O-CB 3.37Å; R31-F279 VanDerWaalsContact O-CD1 3.26Å; R31-F279 WeakPolarHBondContact O-CD1 3.47Å; R31-C280 PolarHBondContact N-O 2.86Å; R31-C280 PolarHBondContact O-N 3.5Å; R31-C280 VanDerWaalsContact O-N 3.07Å; R31-T282 HydrophobicContact CB-CG2 3.75Å; R31-T282 WeakPolarHBondContact CB-OG1 3.37Å; R31-T282 WeakPolarHBondContact CG-OG1 3.34Å |
| 32 | P | 93.6 | Very high | 96.4 | Very high | 9 Ų | 9 | 20.6 Ų | 20.6 | 6% | 0.058 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -45.5 | 135.8 | 166.8 | -28.5 | 35 | 0 | 0 | 0 | 111.3 | D34 E35 K145 F279 | P32-D34 PolarHBondContact O-N 3.46Å; P32-D34 VanDerWaalsContact O-N 3.16Å; P32-E35 HydrophobicContact CB-CB 4.33Å; P32-E35 WeakPolarHBondContact CD-OE2 3.3Å; P32-E35 WeakPolarHBondContact O-CB 3.47Å; P32-E35 PolarHBondContact O-N 2.94Å; P32-K145 HydrophobicContact CG-CD 3.96Å; P32-K145 HydrophobicContact CG-CG 4.04Å; P32-F279 HydrophobicContact CG-CE1 4.37Å; P32-F279 HydrophobicContact CG-CZ 4.49Å |
| 33 | R | 92.8 | Very high | 96.4 | Very high | 105 Ų | 105 | 22.9 Ų | 22.9 | 40% | 0.396 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -33 | -168.9 | 177.4 | -180 | -59.6 | -85.4 | -11.3 | 114.4 | R31 E35 D275 G278 F279 Y355 | R31-R33 PolarHBondContact O-N 3.29Å; R33-E35 VanDerWaalsContact C-N 3.29Å; R33-D275 IonicContact CZ-OD1 2.67Å; R33-D275 IonicContact NH1-OD1 3.12Å; R33-D275 PolarHBondContact NH1-OD1 3.49Å; R33-D275 IonicContact NH2-OD1 2.75Å; R33-D275 PolarHBondContact NH2-OD1 2.89Å; R33-G278 PolarHBondContact N-O 3.47Å; R33-F279 PolarHBondContact NH2-O 3.22Å; R33-Y355 PolarHBondContact O-OH 3.17Å |
| 34 | D | 90.6 | Very high | 96.4 | Very high | 91 Ų | 91 | 25.5 Ų | 25.5 | 49% | 0.487 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -5.2 | -179.9 | 57.9 | -25.1 | 0 | 0 | 0 | 113.2 | P32 V36 R347 | P32-D34 PolarHBondContact O-N 3.46Å; P32-D34 VanDerWaalsContact O-N 3.16Å; D34-V36 PolarHBondContact O-N 3.22Å; D34-R347 IonicContact OD2-CZ 3.87Å; D34-R347 IonicContact OD2-NH1 3.18Å; D34-R347 PolarHBondContact OD2-NH1 3.15Å |
| 35 | E | 94.1 | Very high | 96.3 | Very high | 10 Ų | 10 | 26.9 Ų | 26.9 | 5% | 0.047 | 15% | 0.145 | C | C | . | . | trans | -79.1 | 115.5 | 176.8 | -162.1 | 167.3 | 148.3 | 0 | 0 | 110.7 | R31 P32 R33 P74 W76 T282 | R31-E35 HydrophobicContact CB-CB 4.36Å; R31-E35 IonicContact CZ-OE1 3.75Å; R31-E35 IonicContact CZ-OE2 2.85Å; R31-E35 IonicContact NE-OE1 3.68Å; R31-E35 PolarHBondContact NE-OE1 2.93Å; R31-E35 IonicContact NE-OE2 2.88Å; R31-E35 PolarHBondContact NE-OE2 3.14Å; R31-E35 IonicContact NH2-OE1 3.96Å; R31-E35 PolarHBondContact NH2-OE1 3.31Å; R31-E35 IonicContact NH2-OE2 2.85Å; R31-E35 PolarHBondContact NH2-OE2 3.13Å; P32-E35 HydrophobicContact CB-CB 4.33Å; P32-E35 WeakPolarHBondContact CD-OE2 3.3Å; P32-E35 WeakPolarHBondContact O-CB 3.47Å; P32-E35 PolarHBondContact O-N 2.94Å; R33-E35 VanDerWaalsContact C-N 3.29Å; E35-P74 HydrophobicContact CG-CB 4.09Å; E35-P74 WeakPolarHBondContact OE1-CB 3.19Å; E35-P74 WeakPolarHBondContact OE1-CG 3.23Å; E35-W76 VanDerWaalsContact CD-NE1 3.34Å; E35-W76 PolarHBondContact OE1-NE1 3.44Å; E35-T282 WeakPolarHBondContact O-CG2 3.49Å | ||
| 36 | V | 96.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.024 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -79.1 | 132.7 | 179.7 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | D34 P74 A75 R350 R351 H352 Y355 | D34-V36 PolarHBondContact O-N 3.22Å; V36-P74 WeakPolarHBondContact O-CA 3.39Å; V36-A75 HydrophobicContact CB-CB 4.17Å; V36-A75 HydrophobicContact CG1-CB 4.41Å; V36-A75 WeakPolarHBondContact O-CB 3.48Å; V36-A75 PolarHBondContact O-N 2.82Å; V36-R350 HydrophobicContact CB-CB 4.32Å; V36-R350 HydrophobicContact CG2-CB 4.3Å; V36-R351 HydrophobicContact CG2-CB 4.37Å; V36-R351 HydrophobicContact CG2-CG 3.76Å; V36-H352 WeakPolarHBondContact CG1-CD2 3.32Å; V36-Y355 HydrophobicContact CG1-CD2 4.12Å; V36-Y355 HydrophobicContact CG1-CG 4.36Å; V36-Y355 HydrophobicContact CG2-CD1 4.25Å; V36-Y355 HydrophobicContact CG2-CD2 4.18Å; V36-Y355 HydrophobicContact CG2-CE1 4.09Å; V36-Y355 HydrophobicContact CG2-CE2 4.07Å; V36-Y355 HydrophobicContact CG2-CG 4.28Å |
| 37 | Q | 95.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 132.1 | 164.8 | -77.3 | -155.6 | 43 | 0 | 0 | 112.2 | S29 S72 K73 T282 H352 | S29-Q37 PolarHBondContact OG-NE2 2.92Å; Q37-S72 PolarHBondContact OE1-OG 2.87Å; Q37-K73 CarbonylContact C-O 3.58Å; Q37-K73 VanDerWaalsContact CA-O 3.27Å; Q37-K73 WeakPolarHBondContact CA-O 3.42Å; Q37-T282 PolarHBondContact NE2-OG1 2.86Å; Q37-H352 PolarHBondContact O-NE2 3.11Å |
| 38 | E | 97.6 | Very high | 96.2 | Very high | 13 Ų | 13 | 38.6 Ų | 38.6 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 155 | 173.7 | -53.9 | 171.1 | 123.7 | 0 | 0 | 109.5 | V40 S72 K73 A75 V327 S329 | E38-V40 HydrophobicContact CB-CG1 3.92Å; E38-S72 VanDerWaalsContact O-CA 3.29Å; E38-S72 WeakPolarHBondContact O-CA 3.4Å; E38-K73 HydrophobicContact CB-CG 4.34Å; E38-K73 PolarHBondContact N-O 3.41Å; E38-K73 PolarHBondContact O-N 3.27Å; E38-K73 IonicContact OE2-NZ 3.57Å; E38-K73 PolarHBondContact OE2-NZ 2.87Å; E38-A75 HydrophobicContact CG-CB 3.9Å; E38-V327 WeakPolarHBondContact CA-O 3.22Å; E38-V327 WeakPolarHBondContact CB-O 3.49Å; E38-S329 WeakPolarHBondContact CG-OG 3.45Å; E38-S329 WeakPolarHBondContact OE1-CA 3.5Å; E38-S329 WeakPolarHBondContact OE1-CB 3.21Å; E38-S329 PolarHBondContact OE1-N 3.34Å; E38-S329 PolarHBondContact OE1-OG 2.97Å |
| 39 | V | 98.4 | Very high | 96.2 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 114.3 | 162 | 179.9 | 0 | 0 | 0 | 0 | 107.9 | V70 L71 F301 A303 V327 F407 | V39-V70 HydrophobicContact CG1-CG2 3.89Å; V39-L71 CarbonylContact C-O 3.51Å; V39-L71 VanDerWaalsContact CA-O 3.27Å; V39-L71 WeakPolarHBondContact CA-O 3.43Å; V39-F301 HydrophobicContact CG1-CB 4.27Å; V39-F301 HydrophobicContact CG1-CD1 4.34Å; V39-F301 HydrophobicContact CG1-CD2 3.95Å; V39-F301 HydrophobicContact CG1-CE2 4.38Å; V39-F301 HydrophobicContact CG1-CG 3.93Å; V39-F301 HydrophobicContact CG2-CB 3.72Å; V39-F301 HydrophobicContact CG2-CD1 4.16Å; V39-F301 HydrophobicContact CG2-CG 4.01Å; V39-A303 HydrophobicContact CB-CB 4.35Å; V39-A303 HydrophobicContact CG2-CB 3.65Å; V39-V327 HydrophobicContact CB-CG2 4.29Å; V39-V327 PolarHBondContact N-O 2.96Å; V39-V327 VanDerWaalsContact O-CG2 3.24Å; V39-V327 WeakPolarHBondContact O-CG2 3.41Å; V39-F407 HydrophobicContact CB-CE1 4.28Å; V39-F407 HydrophobicContact CB-CZ 3.85Å; V39-F407 HydrophobicContact CG1-CE1 3.96Å; V39-F407 HydrophobicContact CG1-CE2 4.44Å; V39-F407 HydrophobicContact CG1-CZ 3.66Å; V39-F407 HydrophobicContact CG2-CZ 4.33Å |
| 40 | V | 97.4 | Very high | 96.1 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.1 | -173.5 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | E38 V70 L71 K73 V328 | E38-V40 HydrophobicContact CB-CG1 3.92Å; V40-V70 CarbonylContact O-C 3.58Å; V40-V70 WeakPolarHBondContact O-CA 3.3Å; V40-L71 HydrophobicContact CG2-CB 3.94Å; V40-L71 HydrophobicContact CG2-CD1 4.44Å; V40-L71 PolarHBondContact N-O 3.07Å; V40-L71 PolarHBondContact O-N 2.84Å; V40-K73 HydrophobicContact CG2-CD 3.69Å; V40-K73 HydrophobicContact CG2-CG 4.11Å; V40-V328 HydrophobicContact CG1-CG1 4.48Å; V40-V328 HydrophobicContact CG1-CG2 4.12Å |
| 41 | Y | 97.1 | Very high | 96.3 | Very high | 76 Ų | 76 | 48.7 Ų | 48.7 | 30% | 0.298 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 133.9 | 170.2 | 169 | -103.2 | 0 | 0 | 0 | 110.1 | P43 A68 V69 F315 F317 P321 | Y41-P43 HydrophobicContact CE1-CB 4Å; Y41-A68 HydrophobicContact CE2-CB 3.94Å; Y41-V69 CarbonylContact C-O 3.59Å; Y41-V69 WeakPolarHBondContact CA-O 3.17Å; Y41-V69 WeakPolarHBondContact CD2-O 3.43Å; Y41-F315 HydrophobicContact CD2-CE2 4.45Å; Y41-F315 AromaticContact CD2-CZ 3.72Å; Y41-F315 HydrophobicContact CD2-CZ 3.72Å; Y41-F315 HydrophobicContact CE2-CZ 4.35Å; Y41-F315 HydrophobicContact CG-CZ 4.31Å; Y41-F317 HydrophobicContact CD2-CD1 4.41Å; Y41-F317 HydrophobicContact CD2-CE1 4.11Å; Y41-F317 AromaticContact CE2-CD1 3.88Å; Y41-F317 HydrophobicContact CE2-CD1 3.88Å; Y41-F317 AromaticContact CE2-CE1 3.86Å; Y41-F317 HydrophobicContact CE2-CE1 3.86Å; Y41-P321 HydrophobicContact CD1-CG 3.71Å; Y41-P321 HydrophobicContact CE1-CG 3.34Å; Y41-P321 HydrophobicContact CE2-CG 4.24Å; Y41-P321 HydrophobicContact CG-CG 4.3Å |
| 42 | H | 97 | Very high | 96.5 | Very high | 60 Ų | 60 | 53 Ų | 53 | 28% | 0.278 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124.4 | 169.9 | -65.1 | -67.9 | 0 | 0 | 0 | 109 | A68 V69 R115 | H42-A68 CarbonylContact O-C 3.58Å; H42-A68 VanDerWaalsContact O-CA 3.26Å; H42-A68 WeakPolarHBondContact O-CA 3.47Å; H42-V69 HydrophobicContact CB-CG2 3.83Å; H42-V69 PolarHBondContact N-O 2.9Å; H42-V69 PolarHBondContact O-N 2.9Å; H42-R115 PolarHBondContact CD2-NH2 3.08Å; H42-R115 VanDerWaalsContact CD2-NH2 3.29Å; H42-R115 PolarHBondContact NE2-NH1 3.45Å; H42-R115 PolarHBondContact NE2-NH2 2.94Å |
| 43 | P | 96.9 | Very high | 96.7 | Very high | 78 Ų | 78 | 53.6 Ų | 53.6 | 51% | 0.506 | 33% | 0.33 | S | S | . | . | trans | -70.6 | 158.9 | 178.9 | 30.5 | -35.5 | 0 | 0 | 0 | 111.7 | Y41 | Y41-P43 HydrophobicContact CE1-CB 4Š| ||
| 44 | A | 97.4 | Very high | 97 | Very high | 56 Ų | 56 | 53 Ų | 53 | 46% | 0.463 | 33% | 0.331 | S | S | . | . | trans | -56.3 | 139.8 | 168 | 0 | 0 | 0 | 0 | 0 | 109.7 | T66 A68 | A44-T66 VanDerWaalsContact CA-O 3.22Å; A44-T66 WeakPolarHBondContact CA-O 3.38Å; A44-T66 VanDerWaalsContact CB-O 3.3Å; A44-T66 WeakPolarHBondContact CB-O 3.46Å; A44-A68 HydrophobicContact CB-CB 4.22Å | ||
| 45 | A | 97.6 | Very high | 97.4 | Very high | 34 Ų | 34 | 48.6 Ų | 48.6 | 28% | 0.281 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 154.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R65 T66 | A45-R65 WeakPolarHBondContact O-CA 3.4Å; A45-T66 PolarHBondContact N-O 3.48Å; A45-T66 VanDerWaalsContact N-O 3.16Å; A45-T66 PolarHBondContact N-OG1 3.36Å; A45-T66 PolarHBondContact O-N 2.84Å |
| 46 | S | 98.3 | Very high | 97.5 | Very high | 98 Ų | 98 | 48.2 Ų | 48.2 | 69% | 0.685 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 135.5 | 166.2 | -64.7 | 0 | 0 | 0 | 0 | 109.2 | E64 | S46-E64 CarbonylContact C-O 3.52Å; S46-E64 VanDerWaalsContact CA-O 3.25Å; S46-E64 WeakPolarHBondContact CA-O 3.16Å |
| 47 | H | 98.1 | Very high | 97.6 | Very high | 56 Ų | 56 | 48.9 Ų | 48.9 | 26% | 0.259 | 31% | 0.309 | S | S | . | . | trans | -119.1 | 144.3 | -177.1 | -59.3 | -74 | 0 | 0 | 0 | 111 | Q62 V63 E64 | H47-Q62 HydrophobicContact CB-CG 3.83Å; H47-Q62 PolarHBondContact NE2-NE2 3.01Å; H47-V63 WeakPolarHBondContact CB-O 3.47Å; H47-V63 PolarHBondContact CD2-O 2.81Å; H47-E64 PolarHBondContact N-O 2.98Å | ||
| 48 | P | 98 | Very high | 97.7 | Very high | 92 Ų | 92 | 50.5 Ų | 50.5 | 60% | 0.597 | 32% | 0.317 | S | S | * | . | trans | -59.1 | 141.2 | 175.2 | -24.2 | 34.3 | 0 | 0 | 0 | 112 | G50 S51 | P48-G50 PolarHBondContact O-N 3.03Å; P48-S51 VanDerWaalsContact O-CB 3.26Å; P48-S51 WeakPolarHBondContact O-CB 3.3Å; P48-S51 PolarHBondContact O-N 3.28Å; P48-S51 VanDerWaalsContact O-N 3.15Å; P48-S51 PolarHBondContact O-OG 2.92Å | ||
| 49 | P | 96.8 | Very high | 97.7 | Very high | 103 Ų | 103 | 55.7 Ų | 55.7 | 67% | 0.669 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 135.2 | 174.3 | -27 | 34.8 | 0 | 0 | 0 | 112.2 | S51 | P49-S51 VanDerWaalsContact C-N 3.27Å; P49-S51 PolarHBondContact O-N 3.3Å |
| 50 | G | 96.2 | Very high | 97.7 | Very high | 81 Ų | 81 | 55.5 Ų | 55.5 | 84% | 0.835 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 7.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P48 | P48-G50 PolarHBondContact O-N 3.03Š|
| 51 | S | 98.1 | Very high | 97.8 | Very high | 31 Ų | 31 | 58.9 Ų | 58.9 | 22% | 0.217 | 36% | 0.362 | C | S | . | . | trans | -66.5 | 160.4 | 170.9 | 57.3 | 0 | 0 | 0 | 0 | 112 | P48 P49 Q62 | P48-S51 VanDerWaalsContact O-CB 3.26Å; P48-S51 WeakPolarHBondContact O-CB 3.3Å; P48-S51 PolarHBondContact O-N 3.28Å; P48-S51 VanDerWaalsContact O-N 3.15Å; P48-S51 PolarHBondContact O-OG 2.92Å; P49-S51 VanDerWaalsContact C-N 3.27Å; P49-S51 PolarHBondContact O-N 3.3Å; S51-Q62 WeakPolarHBondContact O-CB 3.45Å; S51-Q62 PolarHBondContact O-N 3.41Å | ||
| 52 | T | 98.3 | Very high | 97.8 | Very high | 93 Ų | 93 | 56.4 Ų | 56.4 | 57% | 0.571 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 155.4 | 176.8 | 58.9 | 0 | 0 | 0 | 0 | 110.6 | I60 | T52-I60 WeakPolarHBondContact CA-O 3.16Å |
| 53 | L | 98.4 | Very high | 97.9 | Very high | 22 Ų | 22 | 55.9 Ų | 55.9 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 127.6 | 176.1 | 172.4 | 63.5 | 0 | 0 | 0 | 108.6 | Q59 I60 Q62 W78 L116 | L53-Q59 CarbonylContact O-C 3.51Å; L53-Q59 VanDerWaalsContact O-CA 3.23Å; L53-Q59 WeakPolarHBondContact O-CA 3.36Å; L53-I60 HydrophobicContact CB-CG1 4.29Å; L53-I60 HydrophobicContact CD2-CG1 4.49Å; L53-I60 PolarHBondContact N-O 3.11Å; L53-I60 PolarHBondContact O-N 2.78Å; L53-Q62 HydrophobicContact CB-CB 4.07Å; L53-Q62 HydrophobicContact CB-CG 4.45Å; L53-W78 HydrophobicContact CD1-CZ2 3.84Å; L53-W78 HydrophobicContact CD2-CH2 3.79Å; L53-W78 HydrophobicContact CD2-CZ2 3.65Å; L53-W78 HydrophobicContact CG-CZ2 4.07Å; L53-L116 HydrophobicContact CD2-CD2 3.7Å |
| 54 | E | 98.1 | Very high | 97.9 | Very high | 92 Ų | 92 | 58 Ų | 58 | 43% | 0.43 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 108.9 | 170.8 | -171.1 | 175.8 | -161.8 | 0 | 0 | 109.7 | Q59 R339 | E54-Q59 HydrophobicContact CB-CG 4.13Å; E54-Q59 HydrophobicContact CG-CG 4.17Å; E54-R339 IonicContact OE1-CZ 2.74Å; E54-R339 IonicContact OE1-NH1 3.2Å; E54-R339 PolarHBondContact OE1-NH1 2.88Å; E54-R339 IonicContact OE2-CZ 3.35Å; E54-R339 IonicContact OE2-NH1 3.35Å; E54-R339 IonicContact OE2-NH2 2.6Å |
| 55 | C | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 37% | 0.371 | C | S | . | . | trans | -80.8 | -159.8 | 172.4 | -58.9 | 0 | 0 | 0 | 0 | 110.2 | Y57 I58 W78 L108 D112 | C55-Y57 PolarHBondContact O-N 3.24Å; C55-I58 WeakPolarHBondContact CB-O 3.38Å; C55-I58 PolarHBondContact N-O 2.77Å; C55-W78 HydrophobicContact CB-CD2 4.39Å; C55-W78 HydrophobicContact CB-CE3 3.87Å; C55-W78 HydrophobicContact CB-CZ3 4.23Å; C55-L108 HydrophobicContact CB-CD2 3.96Å; C55-D112 HydrophobicContact CB-CB 4.49Å | ||
| 56 | T | 97.8 | Very high | 98 | Very high | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.012 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -62.5 | -45.9 | -178.6 | -62.3 | 0 | 0 | 0 | 0 | 111.7 | W76 L77 W78 L109 D112 V338 | T56-W76 HydrophobicContact CG2-CE3 4.48Å; T56-W76 HydrophobicContact CG2-CH2 4.45Å; T56-W76 HydrophobicContact CG2-CZ3 3.75Å; T56-L77 HydrophobicContact CG2-CB 3.88Å; T56-W78 PolarHBondContact OG1-N 2.87Å; T56-L109 HydrophobicContact CG2-CD1 3.76Å; T56-D112 WeakPolarHBondContact CB-OD1 3.43Å; T56-D112 WeakPolarHBondContact CB-OD2 3.42Å; T56-D112 PolarHBondContact N-OD2 2.77Å; T56-D112 PolarHBondContact OG1-OD1 3.34Å; T56-V338 HydrophobicContact CG2-CG2 4.08Å |
| 57 | Y | 97.6 | Very high | 98.1 | Very high | 18 Ų | 18 | 62.4 Ų | 62.4 | 7% | 0.071 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -121.8 | -33.9 | -177 | -61.9 | -52.1 | 0 | 0 | 0 | 115.3 | C55 W76 E106 L109 Q143 V338 F344 | C55-Y57 PolarHBondContact O-N 3.24Å; Y57-W76 WeakPolarHBondContact OH-CH2 3.37Å; Y57-W76 VanDerWaalsContact OH-CZ3 3.3Å; Y57-W76 WeakPolarHBondContact OH-CZ3 3.45Å; Y57-E106 HydrophobicContact CD1-CG 4.19Å; Y57-E106 HydrophobicContact CD2-CG 4.33Å; Y57-E106 HydrophobicContact CG-CB 4.27Å; Y57-E106 HydrophobicContact CG-CG 3.88Å; Y57-L109 HydrophobicContact CD2-CD1 4.23Å; Y57-L109 HydrophobicContact CD2-CD2 4.28Å; Y57-L109 HydrophobicContact CD2-CG 4.02Å; Y57-L109 HydrophobicContact CE2-CD1 3.65Å; Y57-L109 HydrophobicContact CE2-CD2 3.84Å; Y57-L109 HydrophobicContact CE2-CG 3.79Å; Y57-Q143 WeakPolarHBondContact CE2-O 3.39Å; Y57-Q143 PolarHBondContact OH-O 2.6Å; Y57-V338 HydrophobicContact CE1-CG2 4.04Å; Y57-F344 HydrophobicContact CE1-CZ 4.32Å; Y57-F344 WeakPolarHBondContact OH-CE2 3.48Å; Y57-F344 WeakPolarHBondContact OH-CZ 3.28Å |
| 58 | I | 97.8 | Very high | 98.1 | Very high | 36 Ų | 36 | 59.9 Ų | 59.9 | 19% | 0.185 | 33% | 0.33 | C | S | . | . | trans | -117.5 | 162.1 | -175 | 69.3 | 166.2 | 0 | 0 | 0 | 111.5 | C55 I60 E106 L108 H138 | C55-I58 WeakPolarHBondContact CB-O 3.38Å; C55-I58 PolarHBondContact N-O 2.77Å; I58-I60 HydrophobicContact CD1-CG2 3.89Å; I58-I60 HydrophobicContact CG1-CG2 4.16Å; I58-E106 HydrophobicContact CG2-CB 4.39Å; I58-L108 HydrophobicContact CD1-CD2 3.95Å; I58-L108 HydrophobicContact CD1-CG 3.92Å; I58-L108 HydrophobicContact CG1-CD2 3.88Å; I58-L108 HydrophobicContact CG1-CG 4.35Å; I58-H138 HydrophobicContact CD1-CB 4.1Å | ||
| 59 | Q | 98.3 | Very high | 98.1 | Very high | 121 Ų | 121 | 55.5 Ų | 55.5 | 57% | 0.565 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 139.1 | 168.1 | -64.4 | -177.6 | 20.9 | 0 | 0 | 110.2 | L53 E54 | L53-Q59 CarbonylContact O-C 3.51Å; L53-Q59 VanDerWaalsContact O-CA 3.23Å; L53-Q59 WeakPolarHBondContact O-CA 3.36Å; E54-Q59 HydrophobicContact CB-CG 4.13Å; E54-Q59 HydrophobicContact CG-CG 4.17Å |
| 60 | I | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 161.8 | 175.4 | 66.4 | 170.8 | 0 | 0 | 0 | 110.4 | T52 L53 I58 Q62 L108 L116 L134 | T52-I60 WeakPolarHBondContact CA-O 3.16Å; L53-I60 HydrophobicContact CB-CG1 4.29Å; L53-I60 HydrophobicContact CD2-CG1 4.49Å; L53-I60 PolarHBondContact N-O 3.11Å; L53-I60 PolarHBondContact O-N 2.78Å; I58-I60 HydrophobicContact CD1-CG2 3.89Å; I58-I60 HydrophobicContact CG1-CG2 4.16Å; I60-Q62 PolarHBondContact O-N 2.85Å; I60-L108 HydrophobicContact CG2-CD2 4.09Å; I60-L116 HydrophobicContact CD1-CD1 3.82Å; I60-L116 HydrophobicContact CD1-CD2 3.9Å; I60-L134 HydrophobicContact CD1-CD2 3.96Å |
| 61 | P | 98.4 | Very high | 98.3 | Very high | 85 Ų | 85 | 46.8 Ų | 46.8 | 55% | 0.552 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -57 | 134.9 | 168.1 | -23.8 | 35.1 | 0 | 0 | 0 | 111.5 | R120 | P61-R120 PolarHBondContact O-NH2 3.12Å |
| 62 | Q | 98.4 | Very high | 98.3 | Very high | 24 Ų | 24 | 45.3 Ų | 45.3 | 11% | 0.112 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -87.7 | 146.6 | 175.3 | -176.6 | 56.5 | -53.9 | 0 | 0 | 110.7 | H47 S51 L53 I60 | H47-Q62 HydrophobicContact CB-CG 3.83Å; H47-Q62 PolarHBondContact NE2-NE2 3.01Å; S51-Q62 WeakPolarHBondContact O-CB 3.45Å; S51-Q62 PolarHBondContact O-N 3.41Å; L53-Q62 HydrophobicContact CB-CB 4.07Å; L53-Q62 HydrophobicContact CB-CG 4.45Å; I60-Q62 PolarHBondContact O-N 2.85Å |
| 63 | V | 98.2 | Very high | 98.3 | Very high | 50 Ų | 50 | 41.7 Ų | 41.7 | 30% | 0.303 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -84 | 153.2 | 172.6 | -65.4 | 0 | 0 | 0 | 0 | 110.8 | H47 R65 T66 R120 | H47-V63 WeakPolarHBondContact CB-O 3.47Å; H47-V63 PolarHBondContact CD2-O 2.81Å; V63-R65 WeakPolarHBondContact CG2-O 3.38Å; V63-R65 PolarHBondContact O-N 3.09Å; V63-T66 HydrophobicContact CG2-CG2 3.9Å; V63-R120 HydrophobicContact CG2-CG 3.89Å |
| 64 | E | 98 | Very high | 98.2 | Very high | 121 Ų | 121 | 40.7 Ų | 40.7 | 57% | 0.565 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -66.9 | -24.7 | -176.8 | -66.3 | -175.1 | -172.8 | 0 | 0 | 113.9 | S46 H47 | S46-E64 CarbonylContact C-O 3.52Å; S46-E64 VanDerWaalsContact CA-O 3.25Å; S46-E64 WeakPolarHBondContact CA-O 3.16Å; H47-E64 PolarHBondContact N-O 2.98Å |
| 65 | R | 98.4 | Very high | 98.2 | Very high | 200 Ų | 200 | 36.8 Ų | 36.8 | 76% | 0.755 | 18% | 0.175 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -139 | 140.5 | -179.1 | -64.7 | -174.9 | -178.8 | 179.7 | -0.1 | 111.3 | A45 V63 | A45-R65 WeakPolarHBondContact O-CA 3.4Å; V63-R65 WeakPolarHBondContact CG2-O 3.38Å; V63-R65 PolarHBondContact O-N 3.09Å |
| 66 | T | 98.6 | Very high | 98.1 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 8% | 0.08 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 146.8 | 171.2 | 59.9 | 0 | 0 | 0 | 0 | 111 | A44 A45 V63 E119 | A44-T66 VanDerWaalsContact CA-O 3.22Å; A44-T66 WeakPolarHBondContact CA-O 3.38Å; A44-T66 VanDerWaalsContact CB-O 3.3Å; A44-T66 WeakPolarHBondContact CB-O 3.46Å; A45-T66 PolarHBondContact N-O 3.48Å; A45-T66 VanDerWaalsContact N-O 3.16Å; A45-T66 PolarHBondContact N-OG1 3.36Å; A45-T66 PolarHBondContact O-N 2.84Å; V63-T66 HydrophobicContact CG2-CG2 3.9Å; T66-E119 CarbonylContact C-O 3.58Å; T66-E119 WeakPolarHBondContact CA-O 3.34Å; T66-E119 WeakPolarHBondContact CB-O 3.4Å; T66-E119 HydrophobicContact CG2-CB 4.1Å |
| 67 | Y | 98.7 | Very high | 98.1 | Very high | 68 Ų | 68 | 37.3 Ų | 37.3 | 27% | 0.267 | 18% | 0.177 | S | C | . | . | trans | -72.8 | 156.9 | 169.9 | -64.1 | -58.2 | 0 | 0 | 0 | 111.4 | D86 Q87 E119 D122 | Y67-D86 WeakPolarHBondContact CB-OD1 3.46Å; Y67-Q87 HydrophobicContact CD1-CG 3.36Å; Y67-Q87 HydrophobicContact CD2-CG 3.98Å; Y67-Q87 HydrophobicContact CE1-CG 3.51Å; Y67-Q87 HydrophobicContact CE2-CG 4.1Å; Y67-Q87 HydrophobicContact CG-CG 3.63Å; Y67-E119 PolarHBondContact N-O 2.84Å; Y67-D122 HydrophobicContact CE2-CB 3.99Å | ||
| 68 | A | 98.2 | Very high | 98.1 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 3% | 0.025 | 18% | 0.181 | C | C | . | . | trans | -71.5 | 142.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y41 H42 A44 N85 D86 F317 | Y41-A68 HydrophobicContact CE2-CB 3.94Å; H42-A68 CarbonylContact O-C 3.58Å; H42-A68 VanDerWaalsContact O-CA 3.26Å; H42-A68 WeakPolarHBondContact O-CA 3.47Å; A44-A68 HydrophobicContact CB-CB 4.22Å; A68-N85 CarbonylContact O-C 3.52Å; A68-N85 WeakPolarHBondContact O-CA 3.21Å; A68-N85 VanDerWaalsContact O-CB 3.29Å; A68-N85 WeakPolarHBondContact O-CB 3.22Å; A68-D86 HydrophobicContact CB-CB 4.09Å; A68-D86 WeakPolarHBondContact CB-OD2 3.18Å; A68-D86 PolarHBondContact N-OD2 2.83Å; A68-D86 VanDerWaalsContact N-OD2 3.14Å; A68-D86 PolarHBondContact O-N 2.95Å; A68-F317 HydrophobicContact CB-CD1 4.31Å; A68-F317 HydrophobicContact CB-CE1 4.12Å | ||
| 69 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 147 | -178 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | Y41 H42 L71 A84 N85 L118 E119 | Y41-V69 CarbonylContact C-O 3.59Å; Y41-V69 WeakPolarHBondContact CA-O 3.17Å; Y41-V69 WeakPolarHBondContact CD2-O 3.43Å; H42-V69 HydrophobicContact CB-CG2 3.83Å; H42-V69 PolarHBondContact N-O 2.9Å; H42-V69 PolarHBondContact O-N 2.9Å; V69-L71 HydrophobicContact CB-CD2 4Å; V69-L71 HydrophobicContact CB-CG 4.3Å; V69-L71 HydrophobicContact CG2-CD1 4.03Å; V69-L71 HydrophobicContact CG2-CD2 3.99Å; V69-L71 HydrophobicContact CG2-CG 3.88Å; V69-A84 CarbonylContact C-O 3.56Å; V69-A84 VanDerWaalsContact CA-O 3.28Å; V69-A84 WeakPolarHBondContact CA-O 3.38Å; V69-N85 HydrophobicContact CG1-CB 3.88Å; V69-L118 HydrophobicContact CG1-CB 3.75Å; V69-E119 HydrophobicContact CG1-CG 3.85Å; V69-E119 HydrophobicContact CG2-CG 4.09Å |
| 70 | V | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 125.9 | 163.4 | 61.1 | 0 | 0 | 0 | 0 | 108.3 | V39 V40 G83 A84 F301 F315 F317 | V39-V70 HydrophobicContact CG1-CG2 3.89Å; V40-V70 CarbonylContact O-C 3.58Å; V40-V70 WeakPolarHBondContact O-CA 3.3Å; V70-G83 CarbonylContact O-C 3.57Å; V70-G83 WeakPolarHBondContact O-CA 3.27Å; V70-A84 HydrophobicContact CG1-CB 4.24Å; V70-A84 PolarHBondContact N-O 3.35Å; V70-A84 PolarHBondContact O-N 3.16Å; V70-F301 HydrophobicContact CB-CE2 4.42Å; V70-F301 HydrophobicContact CB-CZ 4.45Å; V70-F301 HydrophobicContact CG1-CE2 3.87Å; V70-F301 HydrophobicContact CG1-CZ 3.83Å; V70-F301 HydrophobicContact CG2-CD2 4.43Å; V70-F301 HydrophobicContact CG2-CE2 3.64Å; V70-F301 HydrophobicContact CG2-CZ 3.89Å; V70-F315 HydrophobicContact CB-CD1 3.92Å; V70-F315 HydrophobicContact CB-CE1 3.66Å; V70-F315 HydrophobicContact CB-CZ 4.06Å; V70-F315 HydrophobicContact CG1-CD1 3.66Å; V70-F315 HydrophobicContact CG1-CE1 3.69Å; V70-F315 HydrophobicContact CG2-CD1 4.03Å; V70-F315 HydrophobicContact CG2-CD2 4.34Å; V70-F315 HydrophobicContact CG2-CE1 4.12Å; V70-F315 HydrophobicContact CG2-CE2 4.42Å; V70-F315 HydrophobicContact CG2-CG 4.14Å; V70-F315 HydrophobicContact CG2-CZ 4.32Å; V70-F317 HydrophobicContact CB-CZ 4.23Å; V70-F317 HydrophobicContact CG1-CE2 4.14Å; V70-F317 HydrophobicContact CG1-CZ 3.78Å |
| 71 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 133.3 | -169.2 | -55.7 | 177.7 | 0 | 0 | 0 | 110.4 | V39 V40 V69 A80 R115 L118 | V39-L71 CarbonylContact C-O 3.51Å; V39-L71 VanDerWaalsContact CA-O 3.27Å; V39-L71 WeakPolarHBondContact CA-O 3.43Å; V40-L71 HydrophobicContact CG2-CB 3.94Å; V40-L71 HydrophobicContact CG2-CD1 4.44Å; V40-L71 PolarHBondContact N-O 3.07Å; V40-L71 PolarHBondContact O-N 2.84Å; V69-L71 HydrophobicContact CB-CD2 4Å; V69-L71 HydrophobicContact CB-CG 4.3Å; V69-L71 HydrophobicContact CG2-CD1 4.03Å; V69-L71 HydrophobicContact CG2-CD2 3.99Å; V69-L71 HydrophobicContact CG2-CG 3.88Å; L71-A80 HydrophobicContact CB-CB 3.89Å; L71-A80 HydrophobicContact CD1-CB 4.2Å; L71-A80 HydrophobicContact CD2-CB 3.86Å; L71-A80 HydrophobicContact CG-CB 4.2Å; L71-R115 HydrophobicContact CD1-CB 4.4Å; L71-R115 HydrophobicContact CD1-CG 3.84Å; L71-L118 HydrophobicContact CD2-CD1 3.64Å |
| 72 | S | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 114.3 | 159.1 | -169.7 | 0 | 0 | 0 | 0 | 108.5 | Q37 E38 E81 M82 | Q37-S72 PolarHBondContact OE1-OG 2.87Å; E38-S72 VanDerWaalsContact O-CA 3.29Å; E38-S72 WeakPolarHBondContact O-CA 3.4Å; S72-E81 PolarHBondContact O-N 3.03Å; S72-M82 VanDerWaalsContact CB-CE 3.4Å; S72-M82 PolarHBondContact N-O 2.86Å; S72-M82 PolarHBondContact O-N 3.14Å; S72-M82 WeakPolarHBondContact OG-CE 3.38Å |
| 73 | K | 97.3 | Very high | 98.2 | Very high | 17 Ų | 17 | 25.6 Ų | 25.6 | 7% | 0.074 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 145.8 | -169.8 | 61.1 | 172.1 | -71.6 | -72.8 | 0 | 112.9 | Q37 E38 V40 A75 L77 G79 A80 | Q37-K73 CarbonylContact C-O 3.58Å; Q37-K73 VanDerWaalsContact CA-O 3.27Å; Q37-K73 WeakPolarHBondContact CA-O 3.42Å; E38-K73 HydrophobicContact CB-CG 4.34Å; E38-K73 PolarHBondContact N-O 3.41Å; E38-K73 PolarHBondContact O-N 3.27Å; E38-K73 IonicContact OE2-NZ 3.57Å; E38-K73 PolarHBondContact OE2-NZ 2.87Å; V40-K73 HydrophobicContact CG2-CD 3.69Å; V40-K73 HydrophobicContact CG2-CG 4.11Å; K73-A75 PolarHBondContact O-N 3.23Å; K73-L77 WeakPolarHBondContact CE-O 3.5Å; K73-L77 PolarHBondContact NZ-O 2.85Å; K73-G79 WeakPolarHBondContact CB-O 3.36Å; K73-G79 WeakPolarHBondContact CE-O 3.4Å; K73-A80 HydrophobicContact CB-CB 4.13Å |
| 74 | P | 97.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 137 | 165.5 | -24.7 | 34.7 | 0 | 0 | 0 | 111.8 | E35 V36 W76 L77 E81 | E35-P74 HydrophobicContact CG-CB 4.09Å; E35-P74 WeakPolarHBondContact OE1-CB 3.19Å; E35-P74 WeakPolarHBondContact OE1-CG 3.23Å; V36-P74 WeakPolarHBondContact O-CA 3.39Å; P74-W76 PolarHBondContact O-N 3.07Å; P74-L77 HydrophobicContact CB-CD2 3.95Å; P74-L77 HydrophobicContact CB-CG 3.99Å; P74-L77 HydrophobicContact CG-CD2 3.78Å; P74-L77 HydrophobicContact CG-CG 4.2Å; P74-L77 PolarHBondContact O-N 3.35Å; P74-E81 HydrophobicContact CG-CG 3.8Å |
| 75 | A | 97.7 | Very high | 98.2 | Very high | 11 Ų | 11 | 17.5 Ų | 17.5 | 9% | 0.091 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -12.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115 | V36 E38 K73 S329 R350 | V36-A75 HydrophobicContact CB-CB 4.17Å; V36-A75 HydrophobicContact CG1-CB 4.41Å; V36-A75 WeakPolarHBondContact O-CB 3.48Å; V36-A75 PolarHBondContact O-N 2.82Å; E38-A75 HydrophobicContact CG-CB 3.9Å; K73-A75 PolarHBondContact O-N 3.23Å; A75-S329 VanDerWaalsContact CB-OG 3.23Å; A75-S329 WeakPolarHBondContact CB-OG 3.37Å; A75-R350 HydrophobicContact CB-CB 3.8Å; A75-R350 HydrophobicContact CB-CG 4.29Å; A75-R350 PolarHBondContact O-NH1 3.24Å |
| 76 | W | 97 | Very high | 98.2 | Very high | 6 Ų | 6 | 10.9 Ų | 10.9 | 2% | 0.023 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -21.7 | -177 | 68.6 | -94 | 0 | 0 | 0 | 114.5 | E35 T56 Y57 P74 L109 E146 V338 F344 R350 | E35-W76 VanDerWaalsContact CD-NE1 3.34Å; E35-W76 PolarHBondContact OE1-NE1 3.44Å; T56-W76 HydrophobicContact CG2-CE3 4.48Å; T56-W76 HydrophobicContact CG2-CH2 4.45Å; T56-W76 HydrophobicContact CG2-CZ3 3.75Å; Y57-W76 WeakPolarHBondContact OH-CH2 3.37Å; Y57-W76 VanDerWaalsContact OH-CZ3 3.3Å; Y57-W76 WeakPolarHBondContact OH-CZ3 3.45Å; P74-W76 PolarHBondContact O-N 3.07Å; W76-L109 HydrophobicContact CH2-CD1 4Å; W76-E146 HydrophobicContact CB-CG 4.18Å; W76-E146 WeakPolarHBondContact CB-OE2 3.16Å; W76-E146 HydrophobicContact CD2-CB 4.25Å; W76-E146 HydrophobicContact CG-CB 3.98Å; W76-E146 HydrophobicContact CG-CG 4.14Å; W76-V338 HydrophobicContact CE3-CB 4.24Å; W76-V338 HydrophobicContact CE3-CG2 3.65Å; W76-V338 HydrophobicContact CZ3-CG2 3.87Å; W76-V338 WeakPolarHBondContact O-CG1 3.36Å; W76-F344 AromaticContact CE3-CE1 3.94Å; W76-F344 HydrophobicContact CE3-CE1 3.94Å; W76-F344 AromaticContact CE3-CZ 3.78Å; W76-F344 HydrophobicContact CE3-CZ 3.78Å; W76-F344 HydrophobicContact CH2-CZ 4.34Å; W76-F344 HydrophobicContact CZ3-CE1 4.28Å; W76-F344 AromaticContact CZ3-CZ 3.64Å; W76-F344 HydrophobicContact CZ3-CZ 3.64Å; W76-R350 VanDerWaalsContact CA-CZ 3.48Å; W76-R350 VanDerWaalsContact CB-NE 3.33Å |
| 77 | L | 96.7 | Very high | 98.2 | Very high | 7 Ų | 7 | 14.2 Ų | 14.2 | 4% | 0.037 | 7% | 0.067 | C | C | . | . | trans | -104.4 | 165.8 | -174.7 | 64.2 | 79.2 | 0 | 0 | 0 | 112 | T56 K73 P74 G79 M111 | T56-L77 HydrophobicContact CG2-CB 3.88Å; K73-L77 WeakPolarHBondContact CE-O 3.5Å; K73-L77 PolarHBondContact NZ-O 2.85Å; P74-L77 HydrophobicContact CB-CD2 3.95Å; P74-L77 HydrophobicContact CB-CG 3.99Å; P74-L77 HydrophobicContact CG-CD2 3.78Å; P74-L77 HydrophobicContact CG-CG 4.2Å; P74-L77 PolarHBondContact O-N 3.35Å; L77-G79 VanDerWaalsContact CD1-N 3.31Å; L77-G79 WeakPolarHBondContact CD1-O 3.49Å; L77-M111 HydrophobicContact CD1-CB 4.17Å; L77-M111 HydrophobicContact CD2-CB 4.18Å; L77-M111 HydrophobicContact CD2-CE 3.86Å; L77-M111 HydrophobicContact CD2-CG 4.23Å | ||
| 78 | W | 98.2 | Very high | 98.1 | Very high | 37 Ų | 37 | 11 Ų | 11 | 14% | 0.14 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -85.7 | -39.3 | 179.2 | 170.7 | 85 | 0 | 0 | 0 | 113.1 | L53 C55 T56 D112 R115 L116 | L53-W78 HydrophobicContact CD1-CZ2 3.84Å; L53-W78 HydrophobicContact CD2-CH2 3.79Å; L53-W78 HydrophobicContact CD2-CZ2 3.65Å; L53-W78 HydrophobicContact CG-CZ2 4.07Å; C55-W78 HydrophobicContact CB-CD2 4.39Å; C55-W78 HydrophobicContact CB-CE3 3.87Å; C55-W78 HydrophobicContact CB-CZ3 4.23Å; T56-W78 PolarHBondContact OG1-N 2.87Å; W78-D112 HydrophobicContact CE3-CB 4.12Å; W78-D112 HydrophobicContact CZ3-CB 4.03Å; W78-R115 HydrophobicContact CH2-CB 4.26Å; W78-R115 HydrophobicContact CH2-CG 3.81Å; W78-R115 VanDerWaalsContact CZ2-CD 3.48Å; W78-R115 HydrophobicContact CZ2-CG 4.17Å; W78-R115 HydrophobicContact CZ3-CB 4.17Å; W78-R115 HydrophobicContact CZ3-CG 4.18Å; W78-R115 WeakPolarHBondContact O-CD 3.49Å; W78-R115 PolarHBondContact O-NH1 2.76Å; W78-L116 HydrophobicContact CH2-CD1 4.47Å; W78-L116 HydrophobicContact CH2-CD2 3.6Å; W78-L116 HydrophobicContact CH2-CG 3.72Å; W78-L116 HydrophobicContact CZ3-CD1 4.22Å; W78-L116 HydrophobicContact CZ3-CD2 4.18Å; W78-L116 HydrophobicContact CZ3-CG 3.84Å |
| 79 | G | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.054 | C | C | . | . | S | Bend | trans | -68.7 | -157.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | K73 L77 M111 D112 | K73-G79 WeakPolarHBondContact CB-O 3.36Å; K73-G79 WeakPolarHBondContact CE-O 3.4Å; L77-G79 VanDerWaalsContact CD1-N 3.31Å; L77-G79 WeakPolarHBondContact CD1-O 3.49Å; G79-M111 CarbonylContact C-O 3.59Å; G79-M111 VanDerWaalsContact CA-O 3.24Å; G79-M111 WeakPolarHBondContact CA-O 3.05Å; G79-D112 PolarHBondContact N-OD1 3.36Å |
| 80 | A | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.054 | C | C | . | . | trans | -144.8 | 151.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | L71 K73 M111 V114 | L71-A80 HydrophobicContact CB-CB 3.89Å; L71-A80 HydrophobicContact CD1-CB 4.2Å; L71-A80 HydrophobicContact CD2-CB 3.86Å; L71-A80 HydrophobicContact CG-CB 4.2Å; K73-A80 HydrophobicContact CB-CB 4.13Å; A80-M111 PolarHBondContact N-O 2.91Å; A80-M111 WeakPolarHBondContact O-CA 3.33Å; A80-M111 WeakPolarHBondContact O-CB 3.23Å; A80-V114 HydrophobicContact CB-CG1 4.2Å; A80-V114 WeakPolarHBondContact O-CB 3.46Å | ||
| 81 | E | 98.2 | Very high | 98.2 | Very high | 3 Ų | 3 | 10.9 Ų | 10.9 | 1% | 0.014 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -81.3 | -31 | 171.8 | -83.3 | -76.7 | 144.5 | 0 | 0 | 110.4 | K27 S29 S72 P74 N93 M111 | K27-E81 VanDerWaalsContact NZ-C 3.28Å; K27-E81 VanDerWaalsContact NZ-CB 3.34Å; K27-E81 PolarHBondContact NZ-O 3.16Å; K27-E81 IonicContact NZ-OE2 2.81Å; K27-E81 PolarHBondContact NZ-OE2 3.47Å; S29-E81 WeakPolarHBondContact OG-CB 3.48Å; S29-E81 VanDerWaalsContact OG-CD 3.23Å; S29-E81 VanDerWaalsContact OG-CG 3.24Å; S29-E81 WeakPolarHBondContact OG-CG 3.38Å; S29-E81 PolarHBondContact OG-OE2 2.99Å; S72-E81 PolarHBondContact O-N 3.03Å; P74-E81 HydrophobicContact CG-CG 3.8Å; E81-N93 PolarHBondContact O-OD1 2.94Å; E81-N93 VanDerWaalsContact O-OD1 3.07Å; E81-M111 HydrophobicContact CG-CG 4.27Å; E81-M111 WeakPolarHBondContact OE1-CG 3.41Å |
| 82 | M | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 163.3 | 173.9 | 52.1 | -163.9 | 171.3 | 0 | 0 | 110.5 | K27 S72 I91 M285 | K27-M82 HydrophobicContact CB-CB 4.4Å; K27-M82 HydrophobicContact CB-SD 3.64Å; K27-M82 HydrophobicContact CD-CB 3.84Å; K27-M82 HydrophobicContact CD-CE 4.41Å; K27-M82 HydrophobicContact CD-CG 3.9Å; K27-M82 HydrophobicContact CD-SD 3.19Å; K27-M82 WeakPolarHBondContact CD-SD 3.47Å; K27-M82 HydrophobicContact CG-CB 4.27Å; K27-M82 HydrophobicContact CG-SD 3.89Å; S72-M82 VanDerWaalsContact CB-CE 3.4Å; S72-M82 PolarHBondContact N-O 2.86Å; S72-M82 PolarHBondContact O-N 3.14Å; S72-M82 WeakPolarHBondContact OG-CE 3.38Å; M82-I91 WeakPolarHBondContact CA-O 3.38Å; M82-M285 HydrophobicContact CB-SD 4.02Å; M82-M285 HydrophobicContact CE-CB 3.81Å; M82-M285 HydrophobicContact CG-CB 4.13Å; M82-M285 HydrophobicContact CG-SD 3.96Å; M82-M285 HydrophobicContact SD-CB 3.27Å; M82-M285 WeakPolarHBondContact SD-CB 3.48Å; M82-M285 HydrophobicContact SD-CG 4.38Å; M82-M285 HydrophobicContact SD-SD 4.29Å |
| 83 | G | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.8 | -175.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V70 C90 I91 L118 | V70-G83 CarbonylContact O-C 3.57Å; V70-G83 WeakPolarHBondContact O-CA 3.27Å; G83-C90 WeakPolarHBondContact O-CA 3.4Å; G83-I91 PolarHBondContact N-O 3.22Å; G83-I91 VanDerWaalsContact N-O 3.1Å; G83-I91 PolarHBondContact O-N 2.77Å; G83-L118 VanDerWaalsContact C-CD1 3.5Å |
| 84 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 161 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | V69 V70 V89 M285 H299 | V69-A84 CarbonylContact C-O 3.56Å; V69-A84 VanDerWaalsContact CA-O 3.28Å; V69-A84 WeakPolarHBondContact CA-O 3.38Å; V70-A84 HydrophobicContact CG1-CB 4.24Å; V70-A84 PolarHBondContact N-O 3.35Å; V70-A84 PolarHBondContact O-N 3.16Å; A84-V89 CarbonylContact C-O 3.55Å; A84-V89 WeakPolarHBondContact CA-O 3.45Å; A84-M285 HydrophobicContact CB-CE 3.84Å; A84-H299 WeakPolarHBondContact CB-CE1 3.4Å; A84-H299 VanDerWaalsContact CB-ND1 3.31Å; A84-H299 WeakPolarHBondContact CB-ND1 3.26Å |
| 85 | N | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 167.9 | 172.2 | 75.7 | 8.2 | 0 | 0 | 0 | 112.7 | A68 V69 Q87 G88 V89 L118 G121 F317 | A68-N85 CarbonylContact O-C 3.52Å; A68-N85 WeakPolarHBondContact O-CA 3.21Å; A68-N85 VanDerWaalsContact O-CB 3.29Å; A68-N85 WeakPolarHBondContact O-CB 3.22Å; V69-N85 HydrophobicContact CG1-CB 3.88Å; N85-Q87 PolarHBondContact O-N 2.96Å; N85-Q87 VanDerWaalsContact O-N 3.16Å; N85-Q87 WeakPolarHBondContact OD1-CA 3.47Å; N85-Q87 WeakPolarHBondContact OD1-CB 3.28Å; N85-Q87 PolarHBondContact OD1-N 3.17Å; N85-G88 PolarHBondContact O-N 2.96Å; N85-G88 VanDerWaalsContact O-N 3.15Å; N85-G88 PolarHBondContact OD1-N 3.3Å; N85-V89 PolarHBondContact N-O 2.73Å; N85-V89 WeakPolarHBondContact OD1-CB 3.35Å; N85-V89 PolarHBondContact OD1-N 2.93Å; N85-L118 HydrophobicContact CB-CB 4.48Å; N85-L118 HydrophobicContact CB-CD2 4.45Å; N85-L118 WeakPolarHBondContact CB-O 3.4Å; N85-L118 PolarHBondContact ND2-O 3.1Å; N85-G121 PolarHBondContact ND2-O 2.69Å; N85-F317 VanDerWaalsContact C-CZ 3.44Å; N85-F317 VanDerWaalsContact O-CE2 3.3Å; N85-F317 WeakPolarHBondContact O-CE2 3.49Å |
| 86 | D | 97.4 | Very high | 97.9 | Very high | 61 Ų | 61 | 9.9 Ų | 9.9 | 33% | 0.326 | 5% | 0.048 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -3.4 | 178.4 | 63.5 | 5.3 | 0 | 0 | 0 | 114.3 | Y67 A68 F317 | Y67-D86 WeakPolarHBondContact CB-OD1 3.46Å; A68-D86 HydrophobicContact CB-CB 4.09Å; A68-D86 WeakPolarHBondContact CB-OD2 3.18Å; A68-D86 PolarHBondContact N-OD2 2.83Å; A68-D86 VanDerWaalsContact N-OD2 3.14Å; A68-D86 PolarHBondContact O-N 2.95Å; D86-F317 HydrophobicContact CB-CB 4.42Å; D86-F317 HydrophobicContact CB-CD1 3.92Å; D86-F317 HydrophobicContact CB-CD2 4.35Å; D86-F317 HydrophobicContact CB-CE1 4.23Å; D86-F317 HydrophobicContact CB-CG 3.98Å |
| 87 | Q | 98.3 | Very high | 97.8 | Very high | 83 Ų | 83 | 11.4 Ų | 11.4 | 39% | 0.388 | 5% | 0.053 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 0 | 173.3 | -52.9 | -53.7 | -65.6 | 0 | 0 | 112.7 | Y67 N85 D122 | Y67-Q87 HydrophobicContact CD1-CG 3.36Å; Y67-Q87 HydrophobicContact CD2-CG 3.98Å; Y67-Q87 HydrophobicContact CE1-CG 3.51Å; Y67-Q87 HydrophobicContact CE2-CG 4.1Å; Y67-Q87 HydrophobicContact CG-CG 3.63Å; N85-Q87 PolarHBondContact O-N 2.96Å; N85-Q87 VanDerWaalsContact O-N 3.16Å; N85-Q87 WeakPolarHBondContact OD1-CA 3.47Å; N85-Q87 WeakPolarHBondContact OD1-CB 3.28Å; N85-Q87 PolarHBondContact OD1-N 3.17Å; Q87-D122 HydrophobicContact CB-CB 4.23Å; Q87-D122 HydrophobicContact CG-CB 4.12Å |
| 88 | G | 98.3 | Very high | 97.8 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 2% | 0.021 | 6% | 0.056 | C | C | . | . | S | Bend | trans | 80 | 30.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N85 D161 | N85-G88 PolarHBondContact O-N 2.96Å; N85-G88 VanDerWaalsContact O-N 3.15Å; N85-G88 PolarHBondContact OD1-N 3.3Å; G88-D161 WeakPolarHBondContact O-CA 3.15Å |
| 89 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 6% | 0.062 | C | C | . | . | trans | -102.2 | 133.6 | 171.3 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | A84 N85 I91 L118 A127 V160 D161 | A84-V89 CarbonylContact C-O 3.55Å; A84-V89 WeakPolarHBondContact CA-O 3.45Å; N85-V89 PolarHBondContact N-O 2.73Å; N85-V89 WeakPolarHBondContact OD1-CB 3.35Å; N85-V89 PolarHBondContact OD1-N 2.93Å; V89-I91 HydrophobicContact CG1-CD1 4.49Å; V89-I91 HydrophobicContact CG1-CG1 4.13Å; V89-L118 HydrophobicContact CB-CD2 4.49Å; V89-L118 HydrophobicContact CG1-CD2 4.27Å; V89-L118 WeakPolarHBondContact O-CD2 3.41Å; V89-A127 HydrophobicContact CG1-CB 4.22Å; V89-V160 CarbonylContact C-O 3.58Å; V89-V160 WeakPolarHBondContact CA-O 3.29Å; V89-D161 HydrophobicContact CG2-CB 4.49Å | ||
| 90 | C | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 142.1 | 169.2 | -66.6 | 0 | 0 | 0 | 0 | 110.2 | F25 G83 V160 | F25-C90 HydrophobicContact CB-CB 4.32Å; F25-C90 HydrophobicContact CD1-CB 3.76Å; F25-C90 HydrophobicContact CD2-CB 4.48Å; F25-C90 HydrophobicContact CE1-CB 4.15Å; F25-C90 HydrophobicContact CG-CB 3.94Å; G83-C90 WeakPolarHBondContact O-CA 3.4Å; C90-V160 HydrophobicContact CB-CB 4.45Å; C90-V160 PolarHBondContact N-O 2.8Å; C90-V160 PolarHBondContact O-N 2.84Å |
| 91 | I | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 136.5 | 175 | -54.9 | 178.4 | 0 | 0 | 0 | 109.6 | M82 G83 V89 V114 L118 A127 I131 F157 L158 L159 | M82-I91 WeakPolarHBondContact CA-O 3.38Å; G83-I91 PolarHBondContact N-O 3.22Å; G83-I91 VanDerWaalsContact N-O 3.1Å; G83-I91 PolarHBondContact O-N 2.77Å; V89-I91 HydrophobicContact CG1-CD1 4.49Å; V89-I91 HydrophobicContact CG1-CG1 4.13Å; I91-V114 HydrophobicContact CB-CG1 4.12Å; I91-V114 HydrophobicContact CG2-CB 4.31Å; I91-V114 HydrophobicContact CG2-CG1 3.99Å; I91-V114 HydrophobicContact CG2-CG2 4.03Å; I91-L118 HydrophobicContact CB-CD2 4.16Å; I91-L118 HydrophobicContact CB-CG 4.2Å; I91-L118 HydrophobicContact CD1-CD2 3.94Å; I91-L118 HydrophobicContact CD1-CG 3.84Å; I91-L118 HydrophobicContact CG1-CD2 3.71Å; I91-L118 HydrophobicContact CG1-CG 4.01Å; I91-A127 HydrophobicContact CD1-CB 3.78Å; I91-I131 HydrophobicContact CD1-CD1 4.44Å; I91-F157 HydrophobicContact CG2-CD1 4.47Å; I91-L158 WeakPolarHBondContact CA-O 3.42Å; I91-L159 HydrophobicContact CD1-CD2 3.88Å; I91-L159 HydrophobicContact CD1-CG 4.41Å; I91-L159 HydrophobicContact CG1-CB 4.44Å; I91-L159 HydrophobicContact CG1-CD2 4.17Å; I91-L159 HydrophobicContact CG1-CG 4.19Å; I91-L159 HydrophobicContact CG2-CG 4.29Å |
| 92 | G | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 160.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F157 L158 | G92-F157 VanDerWaalsContact O-CA 3.3Å; G92-F157 WeakPolarHBondContact O-CA 3.36Å; G92-L158 PolarHBondContact N-O 3.36Å; G92-L158 PolarHBondContact O-N 3.31Å |
| 93 | N | 97.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.011 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 160.8 | 178.6 | 75.7 | -35.5 | 0 | 0 | 0 | 114 | E81 V114 N155 T156 F157 | E81-N93 PolarHBondContact O-OD1 2.94Å; E81-N93 VanDerWaalsContact O-OD1 3.07Å; N93-V114 HydrophobicContact CB-CG2 3.73Å; N93-N155 PolarHBondContact ND2-ND2 2.97Å; N93-T156 VanDerWaalsContact CA-O 3.26Å; N93-T156 WeakPolarHBondContact CA-O 3.44Å; N93-T156 WeakPolarHBondContact CB-O 3.37Å; N93-F157 HydrophobicContact CB-CD1 3.6Å; N93-F157 HydrophobicContact CB-CE1 3.84Å; N93-F157 HydrophobicContact CB-CG 4.38Å |
| 94 | E | 95.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 156.1 | 174.5 | -57 | 77.4 | -175.1 | 0 | 0 | 110.5 | C8 C10 N155 T156 I187 | C8-E94 HydrophobicContact CB-CB 4.49Å; C8-E94 HydrophobicContact CB-CG 3.83Å; C10-E94 WeakPolarHBondContact CB-OE1 3.25Å; C10-E94 PolarHBondContact N-OE1 3.43Å; C10-E94 VanDerWaalsContact N-OE1 3.15Å; C10-E94 PolarHBondContact SG-OE1 2.9Å; E94-N155 VanDerWaalsContact O-CA 3.31Å; E94-N155 WeakPolarHBondContact O-CA 3.44Å; E94-N155 PolarHBondContact O-ND2 2.98Å; E94-T156 HydrophobicContact CB-CG2 3.68Å; E94-T156 HydrophobicContact CG-CG2 4.42Å; E94-T156 PolarHBondContact N-O 2.81Å; E94-T156 PolarHBondContact O-N 3.23Å; E94-T156 WeakPolarHBondContact OE2-CG2 3.47Å; E94-I187 WeakPolarHBondContact OE1-CG1 3.5Å; E94-I187 WeakPolarHBondContact OE2-CD1 3.26Å |
| 95 | A | 95.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.033 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 132.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | W97 Y153 N189 | A95-W97 HydrophobicContact CB-CH2 3.58Å; A95-W97 HydrophobicContact CB-CZ2 4.32Å; A95-W97 HydrophobicContact CB-CZ3 4.13Å; A95-Y153 HydrophobicContact CB-CD1 3.49Å; A95-Y153 VanDerWaalsContact CB-CD1 3.49Å; A95-Y153 HydrophobicContact CB-CD2 3.43Å; A95-Y153 VanDerWaalsContact CB-CD2 3.43Å; A95-Y153 HydrophobicContact CB-CE1 3.64Å; A95-Y153 HydrophobicContact CB-CE2 3.6Å; A95-Y153 HydrophobicContact CB-CG 3.35Å; A95-N189 WeakPolarHBondContact CA-ND2 3.47Å; A95-N189 VanDerWaalsContact CB-ND2 3.33Å; A95-N189 WeakPolarHBondContact CB-ND2 3.3Å; A95-N189 PolarHBondContact N-ND2 2.83Å; A95-N189 WeakPolarHBondContact O-CA 3.31Å; A95-N189 WeakPolarHBondContact O-CB 3.37Å; A95-N189 VanDerWaalsContact O-CG 3.31Å; A95-N189 PolarHBondContact O-ND2 2.82Å |
| 96 | V | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 157.5 | 173.5 | -65.5 | 0 | 0 | 0 | 0 | 110.8 | H154 T156 L191 | V96-H154 HydrophobicContact CG2-CB 4.1Å; V96-H154 PolarHBondContact N-O 2.81Å; V96-H154 PolarHBondContact O-N 2.88Å; V96-T156 HydrophobicContact CG1-CG2 3.63Å; V96-L191 HydrophobicContact CB-CD2 4.08Å; V96-L191 HydrophobicContact CG1-CD2 4.25Å; V96-L191 HydrophobicContact CG2-CD2 4.11Å |
| 97 | W | 95.3 | Very high | 95.2 | Very high | 38 Ų | 38 | 35.7 Ų | 35.7 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | trans | -123.4 | 139.9 | 173.1 | -65.1 | -95 | 0 | 0 | 0 | 108.8 | A95 S152 Y153 P228 P232 R234 M235 | A95-W97 HydrophobicContact CB-CH2 3.58Å; A95-W97 HydrophobicContact CB-CZ2 4.32Å; A95-W97 HydrophobicContact CB-CZ3 4.13Å; W97-S152 PolarHBondContact NE1-O 3.43Å; W97-Y153 HydrophobicContact CH2-CD1 4.49Å; W97-Y153 HydrophobicContact CZ2-CD1 4.1Å; W97-Y153 HydrophobicContact CZ2-CG 4.26Å; W97-P228 WeakPolarHBondContact O-CD 3.03Å; W97-P232 HydrophobicContact CB-CG 4.18Å; W97-P232 HydrophobicContact CD2-CG 3.74Å; W97-P232 HydrophobicContact CE3-CG 4.19Å; W97-P232 HydrophobicContact CG-CG 3.69Å; W97-R234 VanDerWaalsContact CH2-CD 3.42Å; W97-R234 HydrophobicContact CH2-CG 4.02Å; W97-R234 HydrophobicContact CZ3-CG 3.87Å; W97-M235 HydrophobicContact CB-SD 4.24Å; W97-M235 HydrophobicContact CE3-CB 4.2Å; W97-M235 HydrophobicContact CE3-SD 4.38Å; W97-M235 WeakPolarHBondContact O-CE 3.45Å | ||
| 98 | T | 96.1 | Very high | 95.2 | Very high | 13 Ų | 13 | 31.8 Ų | 31.8 | 8% | 0.08 | 19% | 0.19 | C | C | . | . | trans | -128.4 | 172.8 | -172.8 | 57.8 | 0 | 0 | 0 | 0 | 110.1 | E100 H154 T170 A171 L191 F226 | T98-E100 VanDerWaalsContact C-N 3.27Å; T98-E100 PolarHBondContact OG1-O 2.93Å; T98-H154 PolarHBondContact OG1-CE1 2.9Å; T98-H154 PolarHBondContact OG1-ND1 2.87Å; T98-T170 WeakPolarHBondContact CG2-O 3.27Å; T98-A171 HydrophobicContact CG2-CB 3.86Å; T98-L191 HydrophobicContact CG2-CD1 4.21Å; T98-L191 HydrophobicContact CG2-CD2 4.24Å; T98-F226 CarbonylContact C-O 3.57Å; T98-F226 VanDerWaalsContact CA-O 3.27Å; T98-F226 WeakPolarHBondContact CA-O 3.1Å | ||
| 99 | R | 96.1 | Very high | 95.2 | Very high | 75 Ų | 75 | 31.7 Ų | 31.7 | 28% | 0.283 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -63.2 | -34.7 | 167.7 | -69.8 | -171.7 | -177.3 | -167.8 | -4.6 | 112.6 | W213 V225 F226 S227 | R99-W213 HydrophobicContact CB-CD2 4.11Å; R99-W213 HydrophobicContact CB-CE3 4.23Å; R99-W213 HydrophobicContact CB-CH2 3.86Å; R99-W213 HydrophobicContact CB-CZ2 3.72Å; R99-W213 HydrophobicContact CB-CZ3 4.13Å; R99-W213 VanDerWaalsContact NH1-CD1 3.32Å; R99-V225 WeakPolarHBondContact CD-O 3.18Å; R99-V225 PolarHBondContact NE-O 3.46Å; R99-F226 PolarHBondContact N-O 2.92Å; R99-S227 VanDerWaalsContact CG-O 3.27Å; R99-S227 WeakPolarHBondContact CG-O 3.31Å; R99-S227 PolarHBondContact NE-O 3.08Å |
| 100 | E | 95.2 | Very high | 95.1 | Very high | 40 Ų | 40 | 31.8 Ų | 31.8 | 19% | 0.187 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -60.9 | 123.4 | 166.4 | -78 | -64.2 | 151.1 | 0 | 0 | 109 | T98 H154 A171 L174 W213 F226 | T98-E100 VanDerWaalsContact C-N 3.27Å; T98-E100 PolarHBondContact OG1-O 2.93Å; E100-H154 PolarHBondContact O-CE1 3.05Å; E100-H154 VanDerWaalsContact O-CE1 3.25Å; E100-A171 HydrophobicContact CB-CB 4.05Å; E100-A171 HydrophobicContact CG-CB 4.05Å; E100-L174 HydrophobicContact CG-CD1 4.42Å; E100-W213 HydrophobicContact CG-CH2 3.89Å; E100-W213 HydrophobicContact CG-CZ3 4Å; E100-W213 WeakPolarHBondContact OE1-CH2 3.13Å; E100-W213 WeakPolarHBondContact OE1-CZ3 3.41Å; E100-F226 HydrophobicContact CG-CD1 4.47Å; E100-F226 HydrophobicContact CG-CE1 4.05Å |
| 101 | P | 92 | Very high | 95.1 | Very high | 88 Ų | 88 | 31.8 Ų | 31.8 | 57% | 0.571 | 19% | 0.189 | S | C | * | . | P | Polyproline II helix | trans | -73.6 | 148.8 | -179.2 | 30.8 | -34.5 | 0 | 0 | 0 | 110.8 | V103 | P101-V103 PolarHBondContact O-N 2.97Š|
| 102 | V | 90.1 | Very high | 95.1 | Very high | 39 Ų | 39 | 31.8 Ų | 31.8 | 24% | 0.236 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -70.9 | 119 | 169.5 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | ||
| 103 | V | 87.8 | Confident | 95.1 | Very high | 99 Ų | 99 | 31.8 Ų | 31.8 | 60% | 0.6 | 19% | 0.189 | S | C | * | . | P | Polyproline II helix | trans | -69.6 | 129.5 | -178.8 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | P101 | P101-V103 PolarHBondContact O-N 2.97Š|
| 104 | P | 86.9 | Confident | 95.2 | Very high | 125 Ų | 125 | 31.7 Ų | 31.7 | 81% | 0.812 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -63.8 | 137.9 | 174.3 | -21.1 | 32.5 | 0 | 0 | 0 | 111.7 | ||
| 105 | G | 90.9 | Very high | 95.3 | Very high | 51 Ų | 51 | 32.6 Ų | 32.6 | 53% | 0.526 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 127.9 | 170 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | G142 | G105-G142 VanDerWaalsContact O-CA 3.32Å; G105-G142 WeakPolarHBondContact O-CA 3.38Å; G105-G142 PolarHBondContact O-N 3.06Å |
| 106 | E | 95.3 | Very high | 95.5 | Very high | 74 Ų | 74 | 32.4 Ų | 32.4 | 35% | 0.346 | 19% | 0.191 | S | C | . | . | trans | -83.7 | 127.4 | 176 | -76.5 | -176.7 | -178.7 | 0 | 0 | 110.2 | Y57 I58 Q341 R343 | Y57-E106 HydrophobicContact CD1-CG 4.19Å; Y57-E106 HydrophobicContact CD2-CG 4.33Å; Y57-E106 HydrophobicContact CG-CB 4.27Å; Y57-E106 HydrophobicContact CG-CG 3.88Å; I58-E106 HydrophobicContact CG2-CB 4.39Å; E106-Q341 PolarHBondContact OE1-NE2 3.1Å; E106-R343 IonicContact OE1-CZ 4Å; E106-R343 IonicContact OE1-NE 3.58Å; E106-R343 PolarHBondContact OE1-NE 3.06Å; E106-R343 IonicContact OE1-NH2 3.39Å; E106-R343 PolarHBondContact OE1-NH2 3.16Å; E106-R343 IonicContact OE2-CZ 2.6Å; E106-R343 IonicContact OE2-NE 3.01Å; E106-R343 IonicContact OE2-NH2 2.85Å; E106-R343 PolarHBondContact OE2-NH2 3.32Å | ||
| 107 | A | 97 | Very high | 95.6 | Very high | 15 Ų | 15 | 32.4 Ų | 32.4 | 12% | 0.124 | 19% | 0.191 | C | C | . | . | trans | -142.9 | -163.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | G141 | A107-G141 CarbonylContact C-O 3.42Å; A107-G141 PolarHBondContact N-O 3.27Å | ||
| 108 | L | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -66.5 | 135.6 | 169.7 | -65.5 | 176.4 | 0 | 0 | 0 | 109.6 | C55 I58 I60 D112 L113 L116 L134 H138 Q140 G141 | C55-L108 HydrophobicContact CB-CD2 3.96Å; I58-L108 HydrophobicContact CD1-CD2 3.95Å; I58-L108 HydrophobicContact CD1-CG 3.92Å; I58-L108 HydrophobicContact CG1-CD2 3.88Å; I58-L108 HydrophobicContact CG1-CG 4.35Å; I60-L108 HydrophobicContact CG2-CD2 4.09Å; L108-D112 HydrophobicContact CB-CB 4.43Å; L108-D112 HydrophobicContact CD2-CB 4.17Å; L108-L113 HydrophobicContact CB-CD2 4.42Å; L108-L113 HydrophobicContact CB-CG 4.38Å; L108-L113 HydrophobicContact CD1-CD2 3.8Å; L108-L116 HydrophobicContact CD1-CD1 4.19Å; L108-L116 HydrophobicContact CD2-CD1 4.16Å; L108-L134 HydrophobicContact CD1-CB 4.06Å; L108-L134 HydrophobicContact CD1-CD2 4.5Å; L108-H138 HydrophobicContact CD1-CB 3.78Å; L108-H138 HydrophobicContact CG-CB 4.03Å; L108-Q140 CarbonylContact O-C 3.45Å; L108-Q140 WeakPolarHBondContact O-CA 3.4Å; L108-G141 PolarHBondContact O-N 2.92Å |
| 109 | L | 97.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | trans | -77 | 156.1 | 166 | -68.5 | -179.9 | 0 | 0 | 0 | 110.1 | T56 Y57 W76 M111 D112 L113 | T56-L109 HydrophobicContact CG2-CD1 3.76Å; Y57-L109 HydrophobicContact CD2-CD1 4.23Å; Y57-L109 HydrophobicContact CD2-CD2 4.28Å; Y57-L109 HydrophobicContact CD2-CG 4.02Å; Y57-L109 HydrophobicContact CE2-CD1 3.65Å; Y57-L109 HydrophobicContact CE2-CD2 3.84Å; Y57-L109 HydrophobicContact CE2-CG 3.79Å; W76-L109 HydrophobicContact CH2-CD1 4Å; L109-M111 HydrophobicContact CB-CE 4.02Å; L109-M111 HydrophobicContact CD1-CE 3.76Å; L109-M111 HydrophobicContact CD2-CE 4.49Å; L109-M111 HydrophobicContact CG-CE 4.33Å; L109-M111 PolarHBondContact O-N 3.49Å; L109-D112 HydrophobicContact CB-CB 4.47Å; L109-D112 PolarHBondContact N-OD2 3.08Å; L109-D112 VanDerWaalsContact N-OD2 3.16Å; L109-D112 WeakPolarHBondContact O-CA 3.3Å; L109-D112 WeakPolarHBondContact O-CB 3.22Å; L109-D112 PolarHBondContact O-N 3.39Å; L109-L113 PolarHBondContact O-N 2.67Å | ||
| 110 | G | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -52.8 | -37.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D112 L113 V114 N155 F157 | G110-D112 VanDerWaalsContact C-N 3.32Å; G110-D112 PolarHBondContact O-N 3.36Å; G110-L113 WeakPolarHBondContact O-CA 3.48Å; G110-L113 WeakPolarHBondContact O-CB 3.48Å; G110-L113 PolarHBondContact O-N 3.17Å; G110-L113 VanDerWaalsContact O-N 3.14Å; G110-V114 WeakPolarHBondContact O-CG2 3.46Å; G110-V114 PolarHBondContact O-N 2.87Å; G110-N155 WeakPolarHBondContact CA-OD1 3.42Å; G110-F157 WeakPolarHBondContact O-CE1 3.43Å |
| 111 | M | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.8 | -33 | 176.5 | -62.5 | 75 | 74.9 | 0 | 0 | 112.3 | L77 G79 A80 E81 L109 L113 V114 R115 C144 Y153 | L77-M111 HydrophobicContact CD1-CB 4.17Å; L77-M111 HydrophobicContact CD2-CB 4.18Å; L77-M111 HydrophobicContact CD2-CE 3.86Å; L77-M111 HydrophobicContact CD2-CG 4.23Å; G79-M111 CarbonylContact C-O 3.59Å; G79-M111 VanDerWaalsContact CA-O 3.24Å; G79-M111 WeakPolarHBondContact CA-O 3.05Å; A80-M111 PolarHBondContact N-O 2.91Å; A80-M111 WeakPolarHBondContact O-CA 3.33Å; A80-M111 WeakPolarHBondContact O-CB 3.23Å; E81-M111 HydrophobicContact CG-CG 4.27Å; E81-M111 WeakPolarHBondContact OE1-CG 3.41Å; L109-M111 HydrophobicContact CB-CE 4.02Å; L109-M111 HydrophobicContact CD1-CE 3.76Å; L109-M111 HydrophobicContact CD2-CE 4.49Å; L109-M111 HydrophobicContact CG-CE 4.33Å; L109-M111 PolarHBondContact O-N 3.49Å; M111-L113 VanDerWaalsContact C-N 3.34Å; M111-V114 PolarHBondContact O-N 3.19Å; M111-R115 PolarHBondContact O-N 3.19Å; M111-C144 HydrophobicContact CE-CB 4.28Å; M111-Y153 HydrophobicContact SD-CE2 4.49Å |
| 112 | D | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66 | -41.8 | 171.7 | -63.2 | -23.9 | 0 | 0 | 0 | 110 | C55 T56 W78 G79 L108 L109 G110 V114 R115 L116 | C55-D112 HydrophobicContact CB-CB 4.49Å; T56-D112 WeakPolarHBondContact CB-OD1 3.43Å; T56-D112 WeakPolarHBondContact CB-OD2 3.42Å; T56-D112 PolarHBondContact N-OD2 2.77Å; T56-D112 PolarHBondContact OG1-OD1 3.34Å; W78-D112 HydrophobicContact CE3-CB 4.12Å; W78-D112 HydrophobicContact CZ3-CB 4.03Å; G79-D112 PolarHBondContact N-OD1 3.36Å; L108-D112 HydrophobicContact CB-CB 4.43Å; L108-D112 HydrophobicContact CD2-CB 4.17Å; L109-D112 HydrophobicContact CB-CB 4.47Å; L109-D112 PolarHBondContact N-OD2 3.08Å; L109-D112 VanDerWaalsContact N-OD2 3.16Å; L109-D112 WeakPolarHBondContact O-CA 3.3Å; L109-D112 WeakPolarHBondContact O-CB 3.22Å; L109-D112 PolarHBondContact O-N 3.39Å; G110-D112 VanDerWaalsContact C-N 3.32Å; G110-D112 PolarHBondContact O-N 3.36Å; D112-V114 VanDerWaalsContact C-N 3.34Å; D112-V114 PolarHBondContact O-N 2.87Å; D112-R115 PolarHBondContact O-N 2.71Å; D112-L116 HydrophobicContact CB-CD1 4.44Å; D112-L116 WeakPolarHBondContact O-CB 3.42Å; D112-L116 WeakPolarHBondContact O-CD1 3.38Å; D112-L116 WeakPolarHBondContact O-CG 3.42Å; D112-L116 PolarHBondContact O-N 2.93Å |
| 113 | L | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.5 | -37.4 | 176.7 | -65.6 | 170.5 | 0 | 0 | 0 | 112.5 | L108 L109 G110 M111 L116 G117 I131 L134 L135 F157 | L108-L113 HydrophobicContact CB-CD2 4.42Å; L108-L113 HydrophobicContact CB-CG 4.38Å; L108-L113 HydrophobicContact CD1-CD2 3.8Å; L109-L113 PolarHBondContact O-N 2.67Å; G110-L113 WeakPolarHBondContact O-CA 3.48Å; G110-L113 WeakPolarHBondContact O-CB 3.48Å; G110-L113 PolarHBondContact O-N 3.17Å; G110-L113 VanDerWaalsContact O-N 3.14Å; M111-L113 VanDerWaalsContact C-N 3.34Å; L113-L116 PolarHBondContact O-N 2.77Å; L113-G117 PolarHBondContact O-N 2.79Å; L113-I131 HydrophobicContact CB-CG1 4.27Å; L113-I131 HydrophobicContact CB-CG2 4.16Å; L113-I131 HydrophobicContact CD1-CG2 4.27Å; L113-I131 HydrophobicContact CD2-CG2 4.45Å; L113-I131 WeakPolarHBondContact O-CG1 3.2Å; L113-L134 HydrophobicContact CD2-CB 3.71Å; L113-L134 HydrophobicContact CD2-CD1 4.26Å; L113-L135 HydrophobicContact CD1-CD1 4.41Å; L113-F157 HydrophobicContact CB-CE1 4.14Å; L113-F157 HydrophobicContact CB-CZ 4.05Å; L113-F157 HydrophobicContact CD1-CZ 4.06Å |
| 114 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.2 | -54.3 | 172.5 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | A80 I91 N93 G110 M111 D112 G117 L118 F157 | A80-V114 HydrophobicContact CB-CG1 4.2Å; A80-V114 WeakPolarHBondContact O-CB 3.46Å; I91-V114 HydrophobicContact CB-CG1 4.12Å; I91-V114 HydrophobicContact CG2-CB 4.31Å; I91-V114 HydrophobicContact CG2-CG1 3.99Å; I91-V114 HydrophobicContact CG2-CG2 4.03Å; N93-V114 HydrophobicContact CB-CG2 3.73Å; G110-V114 WeakPolarHBondContact O-CG2 3.46Å; G110-V114 PolarHBondContact O-N 2.87Å; M111-V114 PolarHBondContact O-N 3.19Å; D112-V114 VanDerWaalsContact C-N 3.34Å; D112-V114 PolarHBondContact O-N 2.87Å; V114-G117 PolarHBondContact O-N 2.89Å; V114-L118 HydrophobicContact CG1-CD1 4.15Å; V114-L118 WeakPolarHBondContact O-CG 3.49Å; V114-L118 PolarHBondContact O-N 2.89Å; V114-F157 HydrophobicContact CG2-CD1 3.99Å; V114-F157 HydrophobicContact CG2-CE1 3.92Å |
| 115 | R | 98.9 | Very high | 98.1 | Very high | 22 Ų | 22 | 20.9 Ų | 20.9 | 8% | 0.083 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.5 | -44.9 | -178.8 | 176.7 | 176.2 | 174.8 | 152.6 | 11.8 | 111.6 | H42 L71 W78 M111 D112 G117 L118 E119 | H42-R115 PolarHBondContact CD2-NH2 3.08Å; H42-R115 VanDerWaalsContact CD2-NH2 3.29Å; H42-R115 PolarHBondContact NE2-NH1 3.45Å; H42-R115 PolarHBondContact NE2-NH2 2.94Å; L71-R115 HydrophobicContact CD1-CB 4.4Å; L71-R115 HydrophobicContact CD1-CG 3.84Å; W78-R115 HydrophobicContact CH2-CB 4.26Å; W78-R115 HydrophobicContact CH2-CG 3.81Å; W78-R115 VanDerWaalsContact CZ2-CD 3.48Å; W78-R115 HydrophobicContact CZ2-CG 4.17Å; W78-R115 HydrophobicContact CZ3-CB 4.17Å; W78-R115 HydrophobicContact CZ3-CG 4.18Å; W78-R115 WeakPolarHBondContact O-CD 3.49Å; W78-R115 PolarHBondContact O-NH1 2.76Å; M111-R115 PolarHBondContact O-N 3.19Å; D112-R115 PolarHBondContact O-N 2.71Å; R115-G117 VanDerWaalsContact C-N 3.31Å; R115-G117 PolarHBondContact O-N 2.97Å; R115-L118 PolarHBondContact O-N 2.82Å; R115-E119 HydrophobicContact CG-CG 4.24Å; R115-E119 IonicContact CZ-OE1 2.88Å; R115-E119 VanDerWaalsContact CZ-OE1 3.26Å; R115-E119 IonicContact NE-OE1 3.34Å; R115-E119 PolarHBondContact NE-OE1 3.32Å; R115-E119 IonicContact NE-OE2 2.92Å; R115-E119 IonicContact NH2-OE1 3.26Å; R115-E119 PolarHBondContact NH2-OE1 3.07Å; R115-E119 WeakPolarHBondContact O-CB 3.35Å; R115-E119 WeakPolarHBondContact O-CG 3.16Å; R115-E119 PolarHBondContact O-N 2.84Å |
| 116 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63 | -38.5 | 179.3 | -70.2 | 163.7 | 0 | 0 | 0 | 111.8 | L53 I60 W78 L108 D112 L113 R120 L134 | L53-L116 HydrophobicContact CD2-CD2 3.7Å; I60-L116 HydrophobicContact CD1-CD1 3.82Å; I60-L116 HydrophobicContact CD1-CD2 3.9Å; W78-L116 HydrophobicContact CH2-CD1 4.47Å; W78-L116 HydrophobicContact CH2-CD2 3.6Å; W78-L116 HydrophobicContact CH2-CG 3.72Å; W78-L116 HydrophobicContact CZ3-CD1 4.22Å; W78-L116 HydrophobicContact CZ3-CD2 4.18Å; W78-L116 HydrophobicContact CZ3-CG 3.84Å; L108-L116 HydrophobicContact CD1-CD1 4.19Å; L108-L116 HydrophobicContact CD2-CD1 4.16Å; D112-L116 HydrophobicContact CB-CD1 4.44Å; D112-L116 WeakPolarHBondContact O-CB 3.42Å; D112-L116 WeakPolarHBondContact O-CD1 3.38Å; D112-L116 WeakPolarHBondContact O-CG 3.42Å; D112-L116 PolarHBondContact O-N 2.93Å; L113-L116 PolarHBondContact O-N 2.77Å; L116-R120 VanDerWaalsContact O-CB 3.26Å; L116-R120 WeakPolarHBondContact O-CB 3.49Å; L116-R120 WeakPolarHBondContact O-CG 3.31Å; L116-R120 PolarHBondContact O-N 2.84Å; L116-L134 HydrophobicContact CB-CD1 3.6Å; L116-L134 HydrophobicContact CD1-CD1 3.75Å; L116-L134 HydrophobicContact CG-CD1 4.16Å |
| 117 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.1 | -46.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | L113 V114 R115 R120 G121 | L113-G117 PolarHBondContact O-N 2.79Å; V114-G117 PolarHBondContact O-N 2.89Å; R115-G117 VanDerWaalsContact C-N 3.31Å; R115-G117 PolarHBondContact O-N 2.97Å; G117-R120 PolarHBondContact O-N 2.96Å; G117-G121 PolarHBondContact O-N 2.95Å |
| 118 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.5 | -44 | 177.8 | -70.9 | 170.4 | 0 | 0 | 0 | 112.8 | V69 L71 G83 N85 V89 I91 V114 R115 R120 | V69-L118 HydrophobicContact CG1-CB 3.75Å; L71-L118 HydrophobicContact CD2-CD1 3.64Å; G83-L118 VanDerWaalsContact C-CD1 3.5Å; N85-L118 HydrophobicContact CB-CB 4.48Å; N85-L118 HydrophobicContact CB-CD2 4.45Å; N85-L118 WeakPolarHBondContact CB-O 3.4Å; N85-L118 PolarHBondContact ND2-O 3.1Å; V89-L118 HydrophobicContact CB-CD2 4.49Å; V89-L118 HydrophobicContact CG1-CD2 4.27Å; V89-L118 WeakPolarHBondContact O-CD2 3.41Å; I91-L118 HydrophobicContact CB-CD2 4.16Å; I91-L118 HydrophobicContact CB-CG 4.2Å; I91-L118 HydrophobicContact CD1-CD2 3.94Å; I91-L118 HydrophobicContact CD1-CG 3.84Å; I91-L118 HydrophobicContact CG1-CD2 3.71Å; I91-L118 HydrophobicContact CG1-CG 4.01Å; V114-L118 HydrophobicContact CG1-CD1 4.15Å; V114-L118 WeakPolarHBondContact O-CG 3.49Å; V114-L118 PolarHBondContact O-N 2.89Å; R115-L118 PolarHBondContact O-N 2.82Å; L118-R120 PolarHBondContact O-N 3.36Å |
| 119 | E | 98.9 | Very high | 98.7 | Very high | 10 Ų | 10 | 18.5 Ų | 18.5 | 5% | 0.047 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68.7 | -19 | -179 | -76.9 | -179.2 | 167.4 | 0 | 0 | 112.6 | T66 Y67 V69 R115 | T66-E119 CarbonylContact C-O 3.58Å; T66-E119 WeakPolarHBondContact CA-O 3.34Å; T66-E119 WeakPolarHBondContact CB-O 3.4Å; T66-E119 HydrophobicContact CG2-CB 4.1Å; Y67-E119 PolarHBondContact N-O 2.84Å; V69-E119 HydrophobicContact CG1-CG 3.85Å; V69-E119 HydrophobicContact CG2-CG 4.09Å; R115-E119 HydrophobicContact CG-CG 4.24Å; R115-E119 IonicContact CZ-OE1 2.88Å; R115-E119 VanDerWaalsContact CZ-OE1 3.26Å; R115-E119 IonicContact NE-OE1 3.34Å; R115-E119 PolarHBondContact NE-OE1 3.32Å; R115-E119 IonicContact NE-OE2 2.92Å; R115-E119 IonicContact NH2-OE1 3.26Å; R115-E119 PolarHBondContact NH2-OE1 3.07Å; R115-E119 WeakPolarHBondContact O-CB 3.35Å; R115-E119 WeakPolarHBondContact O-CG 3.16Å; R115-E119 PolarHBondContact O-N 2.84Å |
| 120 | R | 98.8 | Very high | 98.8 | Very high | 42 Ų | 42 | 19.9 Ų | 19.9 | 16% | 0.158 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -126.1 | -8.6 | -168.1 | -53.9 | 177.1 | 178.4 | -168.3 | -5.5 | 115.1 | P61 V63 L116 G117 L118 V130 | P61-R120 PolarHBondContact O-NH2 3.12Å; V63-R120 HydrophobicContact CG2-CG 3.89Å; L116-R120 VanDerWaalsContact O-CB 3.26Å; L116-R120 WeakPolarHBondContact O-CB 3.49Å; L116-R120 WeakPolarHBondContact O-CG 3.31Å; L116-R120 PolarHBondContact O-N 2.84Å; G117-R120 PolarHBondContact O-N 2.96Å; L118-R120 PolarHBondContact O-N 3.36Å; R120-V130 HydrophobicContact CB-CG1 4.01Å; R120-V130 HydrophobicContact CB-CG2 3.83Å |
| 121 | G | 98.6 | Very high | 98.8 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -111.3 | 133.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N85 G117 | N85-G121 PolarHBondContact ND2-O 2.69Å; G117-G121 PolarHBondContact O-N 2.95Å | ||
| 122 | D | 98.6 | Very high | 98.8 | Very high | 84 Ų | 84 | 20.5 Ų | 20.5 | 45% | 0.449 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -97.4 | 0.7 | 175.6 | 56 | 7.6 | 0 | 0 | 0 | 113.8 | Y67 Q87 A126 | Y67-D122 HydrophobicContact CE2-CB 3.99Å; Q87-D122 HydrophobicContact CB-CB 4.23Å; Q87-D122 HydrophobicContact CG-CB 4.12Å; D122-A126 VanDerWaalsContact OD1-CB 3.3Å; D122-A126 WeakPolarHBondContact OD1-CB 3.32Å |
| 123 | S | 98.9 | Very high | 98.8 | Very high | 31 Ų | 31 | 21.5 Ų | 21.5 | 22% | 0.217 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -151.1 | 163.5 | 177.6 | 53.1 | 0 | 0 | 0 | 0 | 109.1 | W125 A126 A127 | S123-W125 PolarHBondContact O-N 3.48Å; S123-A126 PolarHBondContact O-N 2.85Å; S123-A126 WeakPolarHBondContact OG-CB 3.36Å; S123-A126 PolarHBondContact OG-N 2.92Å; S123-A126 VanDerWaalsContact OG-N 3.13Å; S123-A127 WeakPolarHBondContact O-CB 3.45Å; S123-A127 PolarHBondContact O-N 3.38Å |
| 124 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59 | -39.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | L128 L159 D161 | A124-L128 WeakPolarHBondContact O-CB 3.5Å; A124-L128 PolarHBondContact O-N 3.3Å; A124-L159 HydrophobicContact CB-CB 4.18Å; A124-D161 HydrophobicContact CB-CB 4.1Å; A124-D161 WeakPolarHBondContact CB-OD2 3.49Å; A124-D161 PolarHBondContact N-OD2 3.39Å |
| 125 | W | 98.8 | Very high | 98.8 | Very high | 107 Ų | 107 | 22 Ų | 22 | 41% | 0.405 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -66.9 | -43 | 175.2 | 179.3 | -104.5 | 0 | 0 | 0 | 113.4 | S123 A127 L128 T129 W166 A199 | S123-W125 PolarHBondContact O-N 3.48Å; W125-A127 VanDerWaalsContact C-N 3.35Å; W125-L128 HydrophobicContact CE3-CD2 4.27Å; W125-L128 HydrophobicContact CZ3-CD2 4.02Å; W125-L128 WeakPolarHBondContact O-CB 3.35Å; W125-L128 PolarHBondContact O-N 3.01Å; W125-T129 PolarHBondContact O-N 3.25Å; W125-T129 PolarHBondContact O-OG1 3.29Å; W125-W166 HydrophobicContact CD2-CZ2 4.3Å; W125-W166 HydrophobicContact CE3-CD2 4.14Å; W125-W166 AromaticContact CE3-CE2 3.66Å; W125-W166 HydrophobicContact CE3-CE3 4.31Å; W125-W166 AromaticContact CE3-CH2 3.55Å; W125-W166 HydrophobicContact CE3-CH2 3.55Å; W125-W166 AromaticContact CE3-CZ2 3.36Å; W125-W166 HydrophobicContact CE3-CZ2 3.36Å; W125-W166 HydrophobicContact CE3-CZ3 4.03Å; W125-W166 HydrophobicContact CH2-CH2 4.44Å; W125-W166 HydrophobicContact CZ3-CE3 4.24Å; W125-W166 AromaticContact CZ3-CH2 3.38Å; W125-W166 HydrophobicContact CZ3-CH2 3.38Å; W125-W166 AromaticContact CZ3-CZ2 3.74Å; W125-W166 HydrophobicContact CZ3-CZ2 3.74Å; W125-W166 AromaticContact CZ3-CZ3 3.66Å; W125-W166 HydrophobicContact CZ3-CZ3 3.66Å; W125-A199 HydrophobicContact CH2-CB 3.99Å; W125-A199 HydrophobicContact CZ3-CB 4.12Å |
| 126 | A | 98.9 | Very high | 98.7 | Very high | 21 Ų | 21 | 26.7 Ų | 26.7 | 17% | 0.174 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D122 S123 L128 T129 V130 | D122-A126 VanDerWaalsContact OD1-CB 3.3Å; D122-A126 WeakPolarHBondContact OD1-CB 3.32Å; S123-A126 PolarHBondContact O-N 2.85Å; S123-A126 WeakPolarHBondContact OG-CB 3.36Å; S123-A126 PolarHBondContact OG-N 2.92Å; S123-A126 VanDerWaalsContact OG-N 3.13Å; A126-L128 VanDerWaalsContact C-N 3.35Å; A126-L128 PolarHBondContact O-N 2.83Å; A126-T129 WeakPolarHBondContact O-CB 3.37Å; A126-T129 PolarHBondContact O-N 2.84Å; A126-V130 WeakPolarHBondContact O-CG2 2.85Å; A126-V130 PolarHBondContact O-N 2.79Å |
| 127 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62 | -40.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V89 I91 S123 W125 T129 V130 I131 L159 | V89-A127 HydrophobicContact CG1-CB 4.22Å; I91-A127 HydrophobicContact CD1-CB 3.78Å; S123-A127 WeakPolarHBondContact O-CB 3.45Å; S123-A127 PolarHBondContact O-N 3.38Å; W125-A127 VanDerWaalsContact C-N 3.35Å; A127-T129 VanDerWaalsContact C-N 3.33Å; A127-T129 PolarHBondContact O-N 3.33Å; A127-V130 WeakPolarHBondContact O-CB 3.36Å; A127-V130 PolarHBondContact O-N 2.89Å; A127-I131 WeakPolarHBondContact O-CG1 3.36Å; A127-I131 PolarHBondContact O-N 3.29Å; A127-L159 HydrophobicContact CB-CD2 3.61Å |
| 128 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.4 | -43.7 | 174 | -179 | 153.6 | 0 | 0 | 0 | 111.5 | A124 W125 A126 V130 I131 T132 L159 W166 L168 W175 A177 | A124-L128 WeakPolarHBondContact O-CB 3.5Å; A124-L128 PolarHBondContact O-N 3.3Å; W125-L128 HydrophobicContact CE3-CD2 4.27Å; W125-L128 HydrophobicContact CZ3-CD2 4.02Å; W125-L128 WeakPolarHBondContact O-CB 3.35Å; W125-L128 PolarHBondContact O-N 3.01Å; A126-L128 VanDerWaalsContact C-N 3.35Å; A126-L128 PolarHBondContact O-N 2.83Å; L128-V130 VanDerWaalsContact C-N 3.34Å; L128-V130 PolarHBondContact O-N 2.99Å; L128-I131 PolarHBondContact O-N 3.16Å; L128-T132 HydrophobicContact CD2-CG2 4.15Å; L128-T132 WeakPolarHBondContact O-CB 3.39Å; L128-T132 WeakPolarHBondContact O-CG2 3.06Å; L128-T132 PolarHBondContact O-N 3.01Å; L128-T132 PolarHBondContact O-OG1 3.33Å; L128-L159 HydrophobicContact CB-CD2 4.1Å; L128-W166 HydrophobicContact CD1-CB 3.86Å; L128-W166 HydrophobicContact CD1-CD2 4.07Å; L128-W166 HydrophobicContact CD1-CE3 3.91Å; L128-W166 HydrophobicContact CD1-CG 4.08Å; L128-L168 HydrophobicContact CD1-CB 4.34Å; L128-L168 HydrophobicContact CG-CD1 4.47Å; L128-L168 HydrophobicContact CG-CD2 4.35Å; L128-W175 HydrophobicContact CD2-CZ3 4.48Å; L128-A177 HydrophobicContact CD1-CB 3.65Å |
| 129 | T | 98.9 | Very high | 98.5 | Very high | 68 Ų | 68 | 35.3 Ų | 35.3 | 42% | 0.417 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.3 | -40.5 | 178.3 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | W125 A126 A127 T132 G133 | W125-T129 PolarHBondContact O-N 3.25Å; W125-T129 PolarHBondContact O-OG1 3.29Å; A126-T129 WeakPolarHBondContact O-CB 3.37Å; A126-T129 PolarHBondContact O-N 2.84Å; A127-T129 VanDerWaalsContact C-N 3.33Å; A127-T129 PolarHBondContact O-N 3.33Å; T129-T132 WeakPolarHBondContact CA-OG1 3.32Å; T129-T132 PolarHBondContact O-OG1 3.45Å; T129-G133 PolarHBondContact O-N 3.47Å |
| 130 | V | 98.9 | Very high | 98.3 | Very high | 31 Ų | 31 | 35.4 Ų | 35.4 | 19% | 0.188 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60 | -50.6 | 173.3 | 167 | 0 | 0 | 0 | 0 | 110.9 | R120 A126 A127 L128 T132 G133 L134 | R120-V130 HydrophobicContact CB-CG1 4.01Å; R120-V130 HydrophobicContact CB-CG2 3.83Å; A126-V130 WeakPolarHBondContact O-CG2 2.85Å; A126-V130 PolarHBondContact O-N 2.79Å; A127-V130 WeakPolarHBondContact O-CB 3.36Å; A127-V130 PolarHBondContact O-N 2.89Å; L128-V130 VanDerWaalsContact C-N 3.34Å; L128-V130 PolarHBondContact O-N 2.99Å; V130-T132 PolarHBondContact O-N 3.47Å; V130-G133 PolarHBondContact O-N 2.9Å; V130-L134 HydrophobicContact CG1-CD1 3.7Å; V130-L134 HydrophobicContact CG1-CG 4.48Å; V130-L134 WeakPolarHBondContact O-CB 3.21Å; V130-L134 VanDerWaalsContact O-CG 3.29Å; V130-L134 WeakPolarHBondContact O-CG 3.24Å; V130-L134 PolarHBondContact O-N 2.94Å |
| 131 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61 | -48.3 | -178 | -71.1 | 179.8 | 0 | 0 | 0 | 110.8 | I91 L113 A127 L128 L134 L135 F157 L159 L168 | I91-I131 HydrophobicContact CD1-CD1 4.44Å; L113-I131 HydrophobicContact CB-CG1 4.27Å; L113-I131 HydrophobicContact CB-CG2 4.16Å; L113-I131 HydrophobicContact CD1-CG2 4.27Å; L113-I131 HydrophobicContact CD2-CG2 4.45Å; L113-I131 WeakPolarHBondContact O-CG1 3.2Å; A127-I131 WeakPolarHBondContact O-CG1 3.36Å; A127-I131 PolarHBondContact O-N 3.29Å; L128-I131 PolarHBondContact O-N 3.16Å; I131-L134 PolarHBondContact O-N 3.14Å; I131-L135 VanDerWaalsContact O-CB 3.3Å; I131-L135 WeakPolarHBondContact O-CB 3.34Å; I131-L135 PolarHBondContact O-N 3.28Å; I131-F157 HydrophobicContact CD1-CD1 4.18Å; I131-F157 HydrophobicContact CD1-CE1 4.34Å; I131-F157 HydrophobicContact CG2-CE2 4.22Å; I131-F157 HydrophobicContact CG2-CZ 4.31Å; I131-L159 HydrophobicContact CD1-CD2 4.04Å; I131-L168 HydrophobicContact CB-CD2 4.23Å; I131-L168 HydrophobicContact CG2-CD2 3.65Å |
| 132 | T | 98.8 | Very high | 97.9 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 8% | 0.08 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.5 | -38.3 | -177.6 | 51.9 | 0 | 0 | 0 | 0 | 112.3 | L128 T129 V130 L135 E136 L168 W175 | L128-T132 HydrophobicContact CD2-CG2 4.15Å; L128-T132 WeakPolarHBondContact O-CB 3.39Å; L128-T132 WeakPolarHBondContact O-CG2 3.06Å; L128-T132 PolarHBondContact O-N 3.01Å; L128-T132 PolarHBondContact O-OG1 3.33Å; T129-T132 WeakPolarHBondContact CA-OG1 3.32Å; T129-T132 PolarHBondContact O-OG1 3.45Å; V130-T132 PolarHBondContact O-N 3.47Å; T132-L135 PolarHBondContact O-N 3.03Å; T132-E136 PolarHBondContact O-N 3.45Å; T132-L168 HydrophobicContact CG2-CD1 3.83Å; T132-L168 HydrophobicContact CG2-CD2 4.06Å; T132-W175 HydrophobicContact CG2-CD2 3.53Å; T132-W175 HydrophobicContact CG2-CE3 4.04Å; T132-W175 HydrophobicContact CG2-CG 3.76Å; T132-W175 HydrophobicContact CG2-CH2 4.49Å; T132-W175 HydrophobicContact CG2-CZ2 4.02Å; T132-W175 HydrophobicContact CG2-CZ3 4.49Å |
| 133 | G | 98.8 | Very high | 97.7 | Very high | 22 Ų | 22 | 31.1 Ų | 31.1 | 23% | 0.227 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.6 | -39.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T129 V130 E136 Q137 | T129-G133 PolarHBondContact O-N 3.47Å; V130-G133 PolarHBondContact O-N 2.9Å; G133-E136 PolarHBondContact O-N 2.94Å; G133-Q137 VanDerWaalsContact O-CG 3.31Å; G133-Q137 WeakPolarHBondContact O-CG 3.36Å; G133-Q137 PolarHBondContact O-N 3.19Å; G133-Q137 VanDerWaalsContact O-N 3.12Å |
| 134 | L | 98.7 | Very high | 97.4 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 6% | 0.058 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.8 | -38.2 | 174.5 | -73.7 | 167.8 | 0 | 0 | 0 | 111.9 | I60 L108 L113 L116 V130 I131 Q137 H138 | I60-L134 HydrophobicContact CD1-CD2 3.96Å; L108-L134 HydrophobicContact CD1-CB 4.06Å; L108-L134 HydrophobicContact CD1-CD2 4.5Å; L113-L134 HydrophobicContact CD2-CB 3.71Å; L113-L134 HydrophobicContact CD2-CD1 4.26Å; L116-L134 HydrophobicContact CB-CD1 3.6Å; L116-L134 HydrophobicContact CD1-CD1 3.75Å; L116-L134 HydrophobicContact CG-CD1 4.16Å; V130-L134 HydrophobicContact CG1-CD1 3.7Å; V130-L134 HydrophobicContact CG1-CG 4.48Å; V130-L134 WeakPolarHBondContact O-CB 3.21Å; V130-L134 VanDerWaalsContact O-CG 3.29Å; V130-L134 WeakPolarHBondContact O-CG 3.24Å; V130-L134 PolarHBondContact O-N 2.94Å; I131-L134 PolarHBondContact O-N 3.14Å; L134-Q137 PolarHBondContact O-N 3.27Å; L134-H138 WeakPolarHBondContact O-CB 3.21Å; L134-H138 PolarHBondContact O-N 3.15Å |
| 135 | L | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.9 | -43.1 | 175.6 | -176.5 | 68.2 | 0 | 0 | 0 | 111.3 | L113 I131 T132 Q137 G139 Q140 T170 G172 | L113-L135 HydrophobicContact CD1-CD1 4.41Å; I131-L135 VanDerWaalsContact O-CB 3.3Å; I131-L135 WeakPolarHBondContact O-CB 3.34Å; I131-L135 PolarHBondContact O-N 3.28Å; T132-L135 PolarHBondContact O-N 3.03Å; L135-Q137 PolarHBondContact O-N 3.5Å; L135-G139 WeakPolarHBondContact O-CA 3.13Å; L135-G139 PolarHBondContact O-N 2.96Å; L135-Q140 HydrophobicContact CD1-CB 3.63Å; L135-Q140 HydrophobicContact CD1-CG 3.61Å; L135-T170 HydrophobicContact CD2-CG2 3.83Å; L135-G172 WeakPolarHBondContact CD1-O 3.09Å |
| 136 | E | 97.6 | Very high | 96.9 | Very high | 119 Ų | 119 | 27.1 Ų | 27.1 | 56% | 0.556 | 15% | 0.148 | S | C | * | . | H | α-helix | trans | -60.5 | -44.7 | 175.5 | -175.6 | -177.4 | -179.5 | 0 | 0 | 111.5 | T132 G133 R173 | T132-E136 PolarHBondContact O-N 3.45Å; G133-E136 PolarHBondContact O-N 2.94Å; E136-R173 VanDerWaalsContact O-CZ 3.29Å; E136-R173 PolarHBondContact O-NH1 3.2Å |
| 137 | Q | 97.6 | Very high | 96.5 | Very high | 126 Ų | 126 | 28.4 Ų | 28.4 | 59% | 0.589 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -77.1 | -44.4 | -175.1 | -69.1 | 175.6 | 21.2 | 0 | 0 | 113 | G133 L134 L135 | G133-Q137 VanDerWaalsContact O-CG 3.31Å; G133-Q137 WeakPolarHBondContact O-CG 3.36Å; G133-Q137 PolarHBondContact O-N 3.19Å; G133-Q137 VanDerWaalsContact O-N 3.12Å; L134-Q137 PolarHBondContact O-N 3.27Å; L135-Q137 PolarHBondContact O-N 3.5Å |
| 138 | H | 97.4 | Very high | 95.9 | Very high | 47 Ų | 47 | 31.4 Ų | 31.4 | 22% | 0.218 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -113.5 | -12.1 | -167.1 | -57.6 | -64.2 | 0 | 0 | 0 | 113.6 | I58 L108 L134 | I58-H138 HydrophobicContact CD1-CB 4.1Å; L108-H138 HydrophobicContact CD1-CB 3.78Å; L108-H138 HydrophobicContact CG-CB 4.03Å; L134-H138 WeakPolarHBondContact O-CB 3.21Å; L134-H138 PolarHBondContact O-N 3.15Å |
| 139 | G | 96.3 | Very high | 95.4 | Very high | 8 Ų | 8 | 37 Ų | 37 | 8% | 0.082 | 20% | 0.197 | C | C | . | . | trans | 67.1 | -171.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L135 | L135-G139 WeakPolarHBondContact O-CA 3.13Å; L135-G139 PolarHBondContact O-N 2.96Å | ||
| 140 | Q | 96.4 | Very high | 94.9 | Very high | 12 Ų | 12 | 39.6 Ų | 39.6 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -135.1 | 144 | 173.5 | 63.8 | -177.8 | -57.3 | 0 | 0 | 110.4 | L108 L135 H154 T170 G172 | L108-Q140 CarbonylContact O-C 3.45Å; L108-Q140 WeakPolarHBondContact O-CA 3.4Å; L135-Q140 HydrophobicContact CD1-CB 3.63Å; L135-Q140 HydrophobicContact CD1-CG 3.61Å; Q140-H154 VanDerWaalsContact OE1-CA 3.28Å; Q140-T170 VanDerWaalsContact NE2-CB 3.31Å; Q140-T170 PolarHBondContact NE2-OG1 2.77Å; Q140-T170 PolarHBondContact OE1-OG1 3.07Å; Q140-G172 PolarHBondContact NE2-O 2.6Å |
| 141 | G | 94.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | trans | 158.1 | 173.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A107 L108 | A107-G141 CarbonylContact C-O 3.42Å; A107-G141 PolarHBondContact N-O 3.27Å; L108-G141 PolarHBondContact O-N 2.92Å | ||
| 142 | G | 94.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 42 Ų | 42 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 110.9 | 175.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G105 C144 S152 | G105-G142 VanDerWaalsContact O-CA 3.32Å; G105-G142 WeakPolarHBondContact O-CA 3.38Å; G105-G142 PolarHBondContact O-N 3.06Å; G142-C144 PolarHBondContact O-N 2.64Å; G142-S152 WeakPolarHBondContact O-CB 3.21Å; G142-S152 PolarHBondContact O-OG 3.47Å |
| 143 | Q | 93.4 | Very high | 94.1 | Very high | 27 Ų | 27 | 41.9 Ų | 41.9 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | trans | -73.3 | 127.1 | -178.3 | 175.9 | 70 | -73.7 | 0 | 0 | 110 | Y57 K145 E147 E149 F151 F344 | Y57-Q143 WeakPolarHBondContact CE2-O 3.39Å; Y57-Q143 PolarHBondContact OH-O 2.6Å; Q143-K145 WeakPolarHBondContact CG-O 3.37Å; Q143-E147 PolarHBondContact NE2-O 3.01Å; Q143-E149 VanDerWaalsContact NE2-C 3.33Å; Q143-E149 PolarHBondContact NE2-O 2.9Å; Q143-F151 VanDerWaalsContact OE1-CA 3.29Å; Q143-F151 VanDerWaalsContact OE1-CB 3.28Å; Q143-F151 PolarHBondContact OE1-O 3.15Å; Q143-F151 VanDerWaalsContact OE1-O 3.06Å; Q143-F344 HydrophobicContact CB-CE2 3.97Å; Q143-F344 HydrophobicContact CG-CD2 3.91Å; Q143-F344 HydrophobicContact CG-CE2 3.61Å | ||
| 144 | C | 94.1 | Very high | 94 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | trans | -101.7 | 18.9 | -177 | -61.1 | 0 | 0 | 0 | 0 | 113.1 | R31 M111 G142 F151 Y153 | R31-C144 VanDerWaalsContact CZ-O 3.24Å; R31-C144 PolarHBondContact NH1-O 3.03Å; R31-C144 PolarHBondContact NH2-O 3.32Å; M111-C144 HydrophobicContact CE-CB 4.28Å; G142-C144 PolarHBondContact O-N 2.64Å; C144-F151 HydrophobicContact CB-CD1 4.14Å; C144-F151 VanDerWaalsContact CB-O 3.27Å; C144-F151 WeakPolarHBondContact CB-O 3.37Å; C144-F151 PolarHBondContact N-O 2.86Å; C144-Y153 HydrophobicContact CB-CD1 3.95Å; C144-Y153 HydrophobicContact CB-CE1 3.21Å; C144-Y153 HydrophobicContact CB-CE2 4.28Å; C144-Y153 VanDerWaalsContact CB-CZ 3.44Å; C144-Y153 VanDerWaalsContact SG-CZ 3.58Å | ||
| 145 | K | 92.4 | Very high | 93.9 | Very high | 20 Ų | 20 | 40.5 Ų | 40.5 | 9% | 0.087 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -148.6 | 152.5 | 177.5 | -75.3 | 178.8 | 172.6 | -177.7 | 0 | 111.1 | P32 Q143 E147 F151 | P32-K145 HydrophobicContact CG-CD 3.96Å; P32-K145 HydrophobicContact CG-CG 4.04Å; Q143-K145 WeakPolarHBondContact CG-O 3.37Å; K145-E147 PolarHBondContact O-N 3.2Å; K145-F151 HydrophobicContact CD-CB 4.08Å; K145-F151 HydrophobicContact CD-CD1 3.61Å; K145-F151 HydrophobicContact CD-CD2 4.39Å; K145-F151 HydrophobicContact CD-CE1 3.92Å; K145-F151 HydrophobicContact CD-CG 3.8Å; K145-F151 HydrophobicContact CD-CZ 4.36Å; K145-F151 VanDerWaalsContact CE-CZ 3.47Å; K145-F151 HydrophobicContact CG-CB 4.45Å; K145-F151 HydrophobicContact CG-CD1 3.65Å; K145-F151 HydrophobicContact CG-CE1 4.04Å; K145-F151 HydrophobicContact CG-CG 4.25Å |
| 146 | E | 93.3 | Very high | 93.9 | Very high | 32 Ų | 32 | 40.5 Ų | 40.5 | 15% | 0.15 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -78.1 | 51.5 | 175.4 | -158 | -178.9 | -178.2 | 0 | 0 | 112.6 | W76 F344 R350 | W76-E146 HydrophobicContact CB-CG 4.18Å; W76-E146 WeakPolarHBondContact CB-OE2 3.16Å; W76-E146 HydrophobicContact CD2-CB 4.25Å; W76-E146 HydrophobicContact CG-CB 3.98Å; W76-E146 HydrophobicContact CG-CG 4.14Å; E146-F344 HydrophobicContact CB-CD1 4.28Å; E146-F344 HydrophobicContact CB-CE1 4.35Å; E146-F344 HydrophobicContact CG-CD1 3.46Å; E146-F344 VanDerWaalsContact CG-CD1 3.46Å; E146-F344 HydrophobicContact CG-CE1 3.68Å; E146-F344 HydrophobicContact CG-CG 4.36Å; E146-R350 VanDerWaalsContact CD-NE 3.31Å; E146-R350 IonicContact OE1-CZ 3.67Å; E146-R350 VanDerWaalsContact OE1-CZ 3.3Å; E146-R350 IonicContact OE1-NE 2.69Å; E146-R350 PolarHBondContact OE1-NE 2.79Å; E146-R350 IonicContact OE1-NH2 3.72Å; E146-R350 PolarHBondContact OE1-NH2 2.77Å; E146-R350 WeakPolarHBondContact OE2-CD 3.24Å; E146-R350 IonicContact OE2-CZ 3.8Å; E146-R350 IonicContact OE2-NE 3.63Å; E146-R350 PolarHBondContact OE2-NE 2.96Å; E146-R350 IonicContact OE2-NH2 3.74Å |
| 147 | E | 90.4 | Very high | 94 | Very high | 48 Ų | 48 | 34.8 Ų | 34.8 | 22% | 0.224 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -138 | 151.6 | -176.2 | -67.4 | -171.8 | 152.6 | 0 | 0 | 111.4 | Q143 K145 E149 R347 | Q143-E147 PolarHBondContact NE2-O 3.01Å; K145-E147 PolarHBondContact O-N 3.2Å; E147-E149 VanDerWaalsContact C-N 3.32Å; E147-R347 IonicContact OE1-NH2 2.75Å; E147-R347 PolarHBondContact OE1-NH2 3.26Å; E147-R347 VanDerWaalsContact OE1-NH2 3.15Å |
| 148 | P | 87.4 | Confident | 94 | Very high | 64 Ų | 64 | 28.8 Ų | 28.8 | 42% | 0.416 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -71.7 | -24.8 | 177.5 | 26.9 | -31.5 | 0 | 0 | 0 | 113.1 | ||
| 149 | E | 88.6 | Confident | 94.1 | Very high | 119 Ų | 119 | 26.6 Ų | 26.6 | 56% | 0.556 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -68.8 | 123 | 178.5 | -69.1 | 72.8 | -161.1 | 0 | 0 | 111.5 | Q143 E147 F151 | Q143-E149 VanDerWaalsContact NE2-C 3.33Å; Q143-E149 PolarHBondContact NE2-O 2.9Å; E147-E149 VanDerWaalsContact C-N 3.32Å; E149-F151 PolarHBondContact O-N 3.25Å |
| 150 | P | 87.4 | Confident | 94.2 | Very high | 122 Ų | 122 | 26.2 Ų | 26.2 | 79% | 0.792 | 14% | 0.144 | S | C | * | . | trans | -57.3 | 128.3 | -176.5 | -26.7 | 34.7 | 0 | 0 | 0 | 113.6 | ||||
| 151 | F | 91 | Very high | 94.3 | Very high | 42 Ų | 42 | 26.2 Ų | 26.2 | 18% | 0.184 | 15% | 0.145 | C | C | . | . | trans | -147.5 | 92.3 | 178.1 | -169.8 | -102.2 | 0 | 0 | 0 | 110.1 | Q143 C144 K145 E149 Y153 F279 | Q143-F151 VanDerWaalsContact OE1-CA 3.29Å; Q143-F151 VanDerWaalsContact OE1-CB 3.28Å; Q143-F151 PolarHBondContact OE1-O 3.15Å; Q143-F151 VanDerWaalsContact OE1-O 3.06Å; C144-F151 HydrophobicContact CB-CD1 4.14Å; C144-F151 VanDerWaalsContact CB-O 3.27Å; C144-F151 WeakPolarHBondContact CB-O 3.37Å; C144-F151 PolarHBondContact N-O 2.86Å; K145-F151 HydrophobicContact CD-CB 4.08Å; K145-F151 HydrophobicContact CD-CD1 3.61Å; K145-F151 HydrophobicContact CD-CD2 4.39Å; K145-F151 HydrophobicContact CD-CE1 3.92Å; K145-F151 HydrophobicContact CD-CG 3.8Å; K145-F151 HydrophobicContact CD-CZ 4.36Å; K145-F151 VanDerWaalsContact CE-CZ 3.47Å; K145-F151 HydrophobicContact CG-CB 4.45Å; K145-F151 HydrophobicContact CG-CD1 3.65Å; K145-F151 HydrophobicContact CG-CE1 4.04Å; K145-F151 HydrophobicContact CG-CG 4.25Å; E149-F151 PolarHBondContact O-N 3.25Å; F151-Y153 HydrophobicContact CD1-CD1 4.16Å; F151-Y153 AromaticContact CD1-CE1 3.96Å; F151-Y153 HydrophobicContact CD1-CE1 3.96Å; F151-Y153 AromaticContact CE1-CD1 3.99Å; F151-Y153 HydrophobicContact CE1-CD1 3.99Å; F151-Y153 AromaticContact CE1-CE1 3.68Å; F151-Y153 HydrophobicContact CE1-CE1 3.68Å; F151-F279 HydrophobicContact CZ-CZ 4.49Å | ||
| 152 | S | 93.3 | Very high | 94.5 | Very high | 39 Ų | 39 | 28.4 Ų | 28.4 | 27% | 0.273 | 15% | 0.152 | S | C | . | . | trans | -127.3 | 152.7 | -177.7 | -53 | 0 | 0 | 0 | 0 | 110.4 | W97 G142 | W97-S152 PolarHBondContact NE1-O 3.43Å; G142-S152 WeakPolarHBondContact O-CB 3.21Å; G142-S152 PolarHBondContact O-OG 3.47Å | ||
| 153 | Y | 95.3 | Very high | 94.7 | Very high | 11 Ų | 11 | 31 Ų | 31 | 4% | 0.043 | 17% | 0.169 | C | C | . | . | trans | -157.3 | 167.2 | -175.1 | 48.2 | -108.7 | 0 | 0 | 0 | 110.7 | A95 W97 M111 C144 F151 | A95-Y153 HydrophobicContact CB-CD1 3.49Å; A95-Y153 VanDerWaalsContact CB-CD1 3.49Å; A95-Y153 HydrophobicContact CB-CD2 3.43Å; A95-Y153 VanDerWaalsContact CB-CD2 3.43Å; A95-Y153 HydrophobicContact CB-CE1 3.64Å; A95-Y153 HydrophobicContact CB-CE2 3.6Å; A95-Y153 HydrophobicContact CB-CG 3.35Å; W97-Y153 HydrophobicContact CH2-CD1 4.49Å; W97-Y153 HydrophobicContact CZ2-CD1 4.1Å; W97-Y153 HydrophobicContact CZ2-CG 4.26Å; M111-Y153 HydrophobicContact SD-CE2 4.49Å; C144-Y153 HydrophobicContact CB-CD1 3.95Å; C144-Y153 HydrophobicContact CB-CE1 3.21Å; C144-Y153 HydrophobicContact CB-CE2 4.28Å; C144-Y153 VanDerWaalsContact CB-CZ 3.44Å; C144-Y153 VanDerWaalsContact SG-CZ 3.58Å; F151-Y153 HydrophobicContact CD1-CD1 4.16Å; F151-Y153 AromaticContact CD1-CE1 3.96Å; F151-Y153 HydrophobicContact CD1-CE1 3.96Å; F151-Y153 AromaticContact CE1-CD1 3.99Å; F151-Y153 HydrophobicContact CE1-CD1 3.99Å; F151-Y153 AromaticContact CE1-CE1 3.68Å; F151-Y153 HydrophobicContact CE1-CE1 3.68Å | ||
| 154 | H | 96.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 174.8 | 162.8 | -61.2 | 148.2 | 0 | 0 | 0 | 110.1 | V96 T98 E100 Q140 G172 | V96-H154 HydrophobicContact CG2-CB 4.1Å; V96-H154 PolarHBondContact N-O 2.81Å; V96-H154 PolarHBondContact O-N 2.88Å; T98-H154 PolarHBondContact OG1-CE1 2.9Å; T98-H154 PolarHBondContact OG1-ND1 2.87Å; E100-H154 PolarHBondContact O-CE1 3.05Å; E100-H154 VanDerWaalsContact O-CE1 3.25Å; Q140-H154 VanDerWaalsContact OE1-CA 3.28Å; H154-G172 PolarHBondContact CE1-N 2.8Å; H154-G172 PolarHBondContact ND1-N 2.76Å; H154-G172 VanDerWaalsContact ND1-N 3.2Å; H154-G172 PolarHBondContact NE2-N 3.18Å |
| 155 | N | 97 | Very high | 95.2 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 145.1 | -175.7 | -77.2 | 91.5 | 0 | 0 | 0 | 114.1 | N93 E94 G110 F157 T170 | N93-N155 PolarHBondContact ND2-ND2 2.97Å; E94-N155 VanDerWaalsContact O-CA 3.31Å; E94-N155 WeakPolarHBondContact O-CA 3.44Å; E94-N155 PolarHBondContact O-ND2 2.98Å; G110-N155 WeakPolarHBondContact CA-OD1 3.42Å; N155-F157 HydrophobicContact CB-CD2 4.19Å; N155-F157 HydrophobicContact CB-CE1 4.15Å; N155-F157 HydrophobicContact CB-CE2 3.4Å; N155-F157 VanDerWaalsContact CB-CE2 3.4Å; N155-F157 HydrophobicContact CB-CZ 3.38Å; N155-T170 PolarHBondContact N-OG1 3.33Å; N155-T170 VanDerWaalsContact N-OG1 3.15Å; N155-T170 WeakPolarHBondContact O-CB 3.35Å; N155-T170 PolarHBondContact O-N 2.91Å; N155-T170 PolarHBondContact O-OG1 3.07Å |
| 156 | T | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 151.9 | 154 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | N93 E94 V96 L168 E169 I187 | N93-T156 VanDerWaalsContact CA-O 3.26Å; N93-T156 WeakPolarHBondContact CA-O 3.44Å; N93-T156 WeakPolarHBondContact CB-O 3.37Å; E94-T156 HydrophobicContact CB-CG2 3.68Å; E94-T156 HydrophobicContact CG-CG2 4.42Å; E94-T156 PolarHBondContact N-O 2.81Å; E94-T156 PolarHBondContact O-N 3.23Å; E94-T156 WeakPolarHBondContact OE2-CG2 3.47Å; V96-T156 HydrophobicContact CG1-CG2 3.63Å; T156-L168 CarbonylContact C-O 3.52Å; T156-L168 VanDerWaalsContact CA-O 3.22Å; T156-L168 WeakPolarHBondContact CA-O 3.16Å; T156-L168 PolarHBondContact OG1-O 3.14Å; T156-E169 VanDerWaalsContact OG1-CG 3.23Å; T156-E169 WeakPolarHBondContact OG1-CG 3.05Å; T156-I187 HydrophobicContact CG2-CD1 4.24Å |
| 157 | F | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 141.9 | -176.7 | -54.1 | -97.1 | 0 | 0 | 0 | 109.8 | I91 G92 N93 G110 L113 V114 I131 N155 L159 V167 L168 T170 | I91-F157 HydrophobicContact CG2-CD1 4.47Å; G92-F157 VanDerWaalsContact O-CA 3.3Å; G92-F157 WeakPolarHBondContact O-CA 3.36Å; N93-F157 HydrophobicContact CB-CD1 3.6Å; N93-F157 HydrophobicContact CB-CE1 3.84Å; N93-F157 HydrophobicContact CB-CG 4.38Å; G110-F157 WeakPolarHBondContact O-CE1 3.43Å; L113-F157 HydrophobicContact CB-CE1 4.14Å; L113-F157 HydrophobicContact CB-CZ 4.05Å; L113-F157 HydrophobicContact CD1-CZ 4.06Å; V114-F157 HydrophobicContact CG2-CD1 3.99Å; V114-F157 HydrophobicContact CG2-CE1 3.92Å; I131-F157 HydrophobicContact CD1-CD1 4.18Å; I131-F157 HydrophobicContact CD1-CE1 4.34Å; I131-F157 HydrophobicContact CG2-CE2 4.22Å; I131-F157 HydrophobicContact CG2-CZ 4.31Å; N155-F157 HydrophobicContact CB-CD2 4.19Å; N155-F157 HydrophobicContact CB-CE1 4.15Å; N155-F157 HydrophobicContact CB-CE2 3.4Å; N155-F157 VanDerWaalsContact CB-CE2 3.4Å; N155-F157 HydrophobicContact CB-CZ 3.38Å; F157-L159 HydrophobicContact CB-CD1 3.82Å; F157-V167 WeakPolarHBondContact O-CA 3.37Å; F157-L168 HydrophobicContact CB-CB 4.28Å; F157-L168 HydrophobicContact CD2-CB 4.4Å; F157-L168 HydrophobicContact CD2-CD2 3.89Å; F157-L168 HydrophobicContact CD2-CG 4.12Å; F157-L168 HydrophobicContact CE2-CD2 4.43Å; F157-L168 PolarHBondContact N-O 2.83Å; F157-L168 PolarHBondContact O-N 2.78Å; F157-T170 HydrophobicContact CD2-CG2 4.5Å; F157-T170 HydrophobicContact CE2-CG2 4.03Å |
| 158 | L | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 114.3 | 163.1 | -173.5 | 61.6 | 0 | 0 | 0 | 107.9 | C10 V12 F25 I91 G92 V160 A165 V167 I187 | C10-L158 HydrophobicContact CB-CB 3.9Å; C10-L158 HydrophobicContact CB-CD2 3.66Å; C10-L158 HydrophobicContact CB-CG 4.45Å; V12-L158 HydrophobicContact CB-CD2 4Å; V12-L158 HydrophobicContact CG1-CD1 4.2Å; V12-L158 HydrophobicContact CG1-CD2 4.08Å; F25-L158 HydrophobicContact CD2-CD2 4.16Å; F25-L158 HydrophobicContact CE2-CB 4.42Å; F25-L158 HydrophobicContact CE2-CD2 4.02Å; F25-L158 HydrophobicContact CE2-CG 4.29Å; I91-L158 WeakPolarHBondContact CA-O 3.42Å; G92-L158 PolarHBondContact N-O 3.36Å; G92-L158 PolarHBondContact O-N 3.31Å; L158-V160 HydrophobicContact CD1-CG2 4.4Å; L158-V160 HydrophobicContact CD2-CG2 4.35Å; L158-V160 HydrophobicContact CG-CG2 3.88Å; L158-A165 HydrophobicContact CD1-CB 4.39Å; L158-V167 HydrophobicContact CD1-CG2 3.97Å; L158-I187 HydrophobicContact CB-CD1 3.66Å; L158-I187 HydrophobicContact CB-CG1 4.19Å |
| 159 | L | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 131.1 | 176 | -54.8 | 94.5 | 0 | 0 | 0 | 108.5 | I91 A124 A127 L128 I131 F157 A165 W166 L168 | I91-L159 HydrophobicContact CD1-CD2 3.88Å; I91-L159 HydrophobicContact CD1-CG 4.41Å; I91-L159 HydrophobicContact CG1-CB 4.44Å; I91-L159 HydrophobicContact CG1-CD2 4.17Å; I91-L159 HydrophobicContact CG1-CG 4.19Å; I91-L159 HydrophobicContact CG2-CG 4.29Å; A124-L159 HydrophobicContact CB-CB 4.18Å; A127-L159 HydrophobicContact CB-CD2 3.61Å; L128-L159 HydrophobicContact CB-CD2 4.1Å; I131-L159 HydrophobicContact CD1-CD2 4.04Å; F157-L159 HydrophobicContact CB-CD1 3.82Å; L159-A165 CarbonylContact O-C 3.58Å; L159-A165 WeakPolarHBondContact O-CA 3.31Å; L159-W166 HydrophobicContact CB-CB 4.45Å; L159-W166 HydrophobicContact CD1-CB 4.47Å; L159-W166 PolarHBondContact N-O 3.04Å; L159-W166 PolarHBondContact O-N 3.21Å; L159-L168 HydrophobicContact CD1-CB 3.9Å |
| 160 | V | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 137.3 | -172.8 | -174 | 0 | 0 | 0 | 0 | 109.5 | V12 V23 F25 V89 C90 L158 A165 L289 | V12-V160 HydrophobicContact CB-CG2 4.15Å; V12-V160 HydrophobicContact CG2-CG1 3.76Å; V12-V160 HydrophobicContact CG2-CG2 3.89Å; V23-V160 HydrophobicContact CG1-CG1 3.33Å; F25-V160 HydrophobicContact CD2-CB 4.43Å; F25-V160 HydrophobicContact CD2-CG2 3.7Å; F25-V160 HydrophobicContact CE2-CG2 4.34Å; F25-V160 HydrophobicContact CG-CG2 4.47Å; V89-V160 CarbonylContact C-O 3.58Å; V89-V160 WeakPolarHBondContact CA-O 3.29Å; C90-V160 HydrophobicContact CB-CB 4.45Å; C90-V160 PolarHBondContact N-O 2.8Å; C90-V160 PolarHBondContact O-N 2.84Å; L158-V160 HydrophobicContact CD1-CG2 4.4Å; L158-V160 HydrophobicContact CD2-CG2 4.35Å; L158-V160 HydrophobicContact CG-CG2 3.88Å; V160-A165 HydrophobicContact CB-CB 4.47Å; V160-A165 HydrophobicContact CG1-CB 4.4Å; V160-A165 HydrophobicContact CG2-CB 3.92Å; V160-L289 HydrophobicContact CG1-CD1 4.18Å |
| 161 | D | 98.8 | Very high | 97.7 | Very high | 12 Ų | 12 | 12.5 Ų | 12.5 | 6% | 0.064 | 7% | 0.066 | C | C | . | . | trans | -126.2 | -170 | 166.1 | 66.4 | 40.1 | 0 | 0 | 0 | 111.1 | G88 V89 A124 S163 E164 | G88-D161 WeakPolarHBondContact O-CA 3.15Å; V89-D161 HydrophobicContact CG2-CB 4.49Å; A124-D161 HydrophobicContact CB-CB 4.1Å; A124-D161 WeakPolarHBondContact CB-OD2 3.49Å; A124-D161 PolarHBondContact N-OD2 3.39Å; D161-S163 PolarHBondContact O-N 2.66Å; D161-S163 VanDerWaalsContact O-N 3.08Å; D161-S163 WeakPolarHBondContact OD1-CA 3.18Å; D161-S163 PolarHBondContact OD1-N 2.68Å; D161-S163 PolarHBondContact OD1-OG 3.3Å; D161-E164 PolarHBondContact N-O 3.42Å; D161-E164 PolarHBondContact OD1-N 2.89Å | ||
| 162 | R | 98.4 | Very high | 97.9 | Very high | 51 Ų | 51 | 11.1 Ų | 11.1 | 19% | 0.192 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -64.4 | -6.8 | 180 | -67.2 | 179 | 179.7 | -116.3 | 11.5 | 114.1 | L289 P290 R291 D292 L295 C297 | R162-L289 HydrophobicContact CG-CB 4.06Å; R162-P290 VanDerWaalsContact CD-O 3.27Å; R162-P290 WeakPolarHBondContact CD-O 3.23Å; R162-P290 WeakPolarHBondContact CG-O 3.45Å; R162-P290 PolarHBondContact NH1-O 2.8Å; R162-R291 WeakPolarHBondContact O-CG 3.45Å; R162-D292 PolarHBondContact NH1-O 2.74Å; R162-L295 PolarHBondContact NH1-O 3.43Å; R162-L295 PolarHBondContact NH2-O 2.94Å; R162-C297 PolarHBondContact NE-SG 3.12Å; R162-C297 VanDerWaalsContact NE-SG 3.43Å; R162-C297 PolarHBondContact NH2-SG 3.16Å |
| 163 | S | 97.9 | Very high | 98 | Very high | 60 Ų | 60 | 15.5 Ų | 15.5 | 42% | 0.42 | 7% | 0.074 | S | C | . | . | S | Bend | trans | -132.9 | -31 | -170.3 | 67.8 | 0 | 0 | 0 | 0 | 114.5 | D161 | D161-S163 PolarHBondContact O-N 2.66Å; D161-S163 VanDerWaalsContact O-N 3.08Å; D161-S163 WeakPolarHBondContact OD1-CA 3.18Å; D161-S163 PolarHBondContact OD1-N 2.68Å; D161-S163 PolarHBondContact OD1-OG 3.3Å |
| 164 | E | 98.4 | Very high | 98.2 | Very high | 30 Ų | 30 | 15.6 Ų | 15.6 | 14% | 0.14 | 8% | 0.075 | C | C | . | . | trans | -149.8 | 162.8 | -173.7 | 60.2 | -173.7 | -140.1 | 0 | 0 | 111.6 | D161 W166 K179 | D161-E164 PolarHBondContact N-O 3.42Å; D161-E164 PolarHBondContact OD1-N 2.89Å; E164-W166 PolarHBondContact OE1-NE1 2.85Å; E164-K179 IonicContact OE1-NZ 2.84Å; E164-K179 WeakPolarHBondContact OE2-CE 3.26Å; E164-K179 IonicContact OE2-NZ 2.76Å; E164-K179 PolarHBondContact OE2-NZ 3.16Å | ||
| 165 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 153.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V12 L14 L158 L159 V160 V180 | V12-A165 HydrophobicContact CG1-CB 4.01Å; V12-A165 HydrophobicContact CG2-CB 4.15Å; L14-A165 HydrophobicContact CD1-CB 4.07Å; L14-A165 HydrophobicContact CD2-CB 4.48Å; L158-A165 HydrophobicContact CD1-CB 4.39Å; L159-A165 CarbonylContact O-C 3.58Å; L159-A165 WeakPolarHBondContact O-CA 3.31Å; V160-A165 HydrophobicContact CB-CB 4.47Å; V160-A165 HydrophobicContact CG1-CB 4.4Å; V160-A165 HydrophobicContact CG2-CB 3.92Å; A165-V180 HydrophobicContact CB-CB 4.25Å; A165-V180 PolarHBondContact N-O 2.97Å; A165-V180 PolarHBondContact O-N 3.18Å; A165-V180 VanDerWaalsContact O-O 3.13Å |
| 166 | W | 98.9 | Very high | 98.4 | Very high | 15 Ų | 15 | 16.9 Ų | 16.9 | 6% | 0.057 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 125.4 | 177.5 | -70.9 | 86.2 | 0 | 0 | 0 | 109.7 | W125 L128 L159 E164 A177 Q178 K179 | W125-W166 HydrophobicContact CD2-CZ2 4.3Å; W125-W166 HydrophobicContact CE3-CD2 4.14Å; W125-W166 AromaticContact CE3-CE2 3.66Å; W125-W166 HydrophobicContact CE3-CE3 4.31Å; W125-W166 AromaticContact CE3-CH2 3.55Å; W125-W166 HydrophobicContact CE3-CH2 3.55Å; W125-W166 AromaticContact CE3-CZ2 3.36Å; W125-W166 HydrophobicContact CE3-CZ2 3.36Å; W125-W166 HydrophobicContact CE3-CZ3 4.03Å; W125-W166 HydrophobicContact CH2-CH2 4.44Å; W125-W166 HydrophobicContact CZ3-CE3 4.24Å; W125-W166 AromaticContact CZ3-CH2 3.38Å; W125-W166 HydrophobicContact CZ3-CH2 3.38Å; W125-W166 AromaticContact CZ3-CZ2 3.74Å; W125-W166 HydrophobicContact CZ3-CZ2 3.74Å; W125-W166 AromaticContact CZ3-CZ3 3.66Å; W125-W166 HydrophobicContact CZ3-CZ3 3.66Å; L128-W166 HydrophobicContact CD1-CB 3.86Å; L128-W166 HydrophobicContact CD1-CD2 4.07Å; L128-W166 HydrophobicContact CD1-CE3 3.91Å; L128-W166 HydrophobicContact CD1-CG 4.08Å; L159-W166 HydrophobicContact CB-CB 4.45Å; L159-W166 HydrophobicContact CD1-CB 4.47Å; L159-W166 PolarHBondContact N-O 3.04Å; L159-W166 PolarHBondContact O-N 3.21Å; E164-W166 PolarHBondContact OE1-NE1 2.85Å; W166-A177 HydrophobicContact CE3-CB 3.93Å; W166-A177 HydrophobicContact CZ3-CB 4.22Å; W166-Q178 WeakPolarHBondContact CA-O 3.23Å; W166-K179 HydrophobicContact CD2-CB 4.19Å; W166-K179 HydrophobicContact CD2-CG 4.37Å; W166-K179 HydrophobicContact CE3-CB 4Å; W166-K179 HydrophobicContact CH2-CB 3.69Å; W166-K179 HydrophobicContact CH2-CD 4.08Å; W166-K179 HydrophobicContact CH2-CG 4.12Å; W166-K179 HydrophobicContact CZ2-CB 3.85Å; W166-K179 HydrophobicContact CZ2-CD 3.65Å; W166-K179 HydrophobicContact CZ2-CG 3.75Å; W166-K179 HydrophobicContact CZ3-CB 3.77Å |
| 167 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 124.4 | 163.2 | -178.9 | 0 | 0 | 0 | 0 | 106.9 | F157 L158 E169 A177 Q178 K185 I187 I193 | F157-V167 WeakPolarHBondContact O-CA 3.37Å; L158-V167 HydrophobicContact CD1-CG2 3.97Å; V167-E169 HydrophobicContact CG1-CG 4.23Å; V167-A177 CarbonylContact O-C 3.5Å; V167-A177 WeakPolarHBondContact O-CA 3.45Å; V167-Q178 HydrophobicContact CB-CB 4.46Å; V167-Q178 PolarHBondContact N-O 2.65Å; V167-Q178 PolarHBondContact O-N 2.57Å; V167-K185 HydrophobicContact CG2-CG 4.33Å; V167-I187 HydrophobicContact CB-CG2 4.5Å; V167-I187 HydrophobicContact CG1-CG2 3.79Å; V167-I187 HydrophobicContact CG2-CG2 3.83Å; V167-I193 HydrophobicContact CB-CD1 4.18Å; V167-I193 HydrophobicContact CB-CG1 4.48Å; V167-I193 HydrophobicContact CG1-CD1 3.88Å; V167-I193 HydrophobicContact CG1-CG1 4.07Å; V167-I193 WeakPolarHBondContact O-CD1 3.21Å |
| 168 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 117.7 | 175.6 | 170.1 | 68.2 | 0 | 0 | 0 | 108.8 | L128 I131 T132 T156 F157 L159 T170 W175 A177 | L128-L168 HydrophobicContact CD1-CB 4.34Å; L128-L168 HydrophobicContact CG-CD1 4.47Å; L128-L168 HydrophobicContact CG-CD2 4.35Å; I131-L168 HydrophobicContact CB-CD2 4.23Å; I131-L168 HydrophobicContact CG2-CD2 3.65Å; T132-L168 HydrophobicContact CG2-CD1 3.83Å; T132-L168 HydrophobicContact CG2-CD2 4.06Å; T156-L168 CarbonylContact C-O 3.52Å; T156-L168 VanDerWaalsContact CA-O 3.22Å; T156-L168 WeakPolarHBondContact CA-O 3.16Å; T156-L168 PolarHBondContact OG1-O 3.14Å; F157-L168 HydrophobicContact CB-CB 4.28Å; F157-L168 HydrophobicContact CD2-CB 4.4Å; F157-L168 HydrophobicContact CD2-CD2 3.89Å; F157-L168 HydrophobicContact CD2-CG 4.12Å; F157-L168 HydrophobicContact CE2-CD2 4.43Å; F157-L168 PolarHBondContact N-O 2.83Å; F157-L168 PolarHBondContact O-N 2.78Å; L159-L168 HydrophobicContact CD1-CB 3.9Å; L168-T170 HydrophobicContact CG-CG2 4.34Å; L168-W175 HydrophobicContact CD1-CB 3.88Å; L168-W175 HydrophobicContact CD1-CD2 4.13Å; L168-W175 HydrophobicContact CD1-CE3 3.74Å; L168-W175 HydrophobicContact CD1-CG 4.21Å; L168-A177 HydrophobicContact CD1-CB 4.3Å |
| 169 | E | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 132.9 | 177.7 | -72.7 | 174.7 | -176 | 0 | 0 | 110.6 | T156 V167 W175 V176 L191 T192 I193 F222 | T156-E169 VanDerWaalsContact OG1-CG 3.23Å; T156-E169 WeakPolarHBondContact OG1-CG 3.05Å; V167-E169 HydrophobicContact CG1-CG 4.23Å; E169-W175 CarbonylContact O-C 3.52Å; E169-W175 WeakPolarHBondContact O-CA 3.45Å; E169-V176 HydrophobicContact CB-CG2 4.1Å; E169-V176 PolarHBondContact N-O 3Å; E169-V176 PolarHBondContact O-N 3.26Å; E169-L191 HydrophobicContact CB-CD2 4.26Å; E169-L191 HydrophobicContact CG-CD2 4.37Å; E169-L191 WeakPolarHBondContact OE2-CA 3.43Å; E169-L191 WeakPolarHBondContact OE2-CB 3.23Å; E169-T192 VanDerWaalsContact CD-N 3.28Å; E169-T192 WeakPolarHBondContact OE1-CA 3Å; E169-T192 WeakPolarHBondContact OE1-CB 3.41Å; E169-T192 PolarHBondContact OE1-N 2.82Å; E169-T192 PolarHBondContact OE1-OG1 3.25Å; E169-T192 PolarHBondContact OE2-N 2.78Å; E169-T192 VanDerWaalsContact OE2-N 3.12Å; E169-I193 HydrophobicContact CB-CD1 4.23Å; E169-I193 HydrophobicContact CG-CD1 4.04Å; E169-I193 HydrophobicContact CG-CG1 4.37Å; E169-I193 PolarHBondContact OE1-N 3.31Å; E169-I193 PolarHBondContact OE2-N 3.4Å; E169-I193 VanDerWaalsContact OE2-N 3.16Å; E169-F222 HydrophobicContact CB-CD1 4.43Å; E169-F222 HydrophobicContact CB-CE1 3.66Å; E169-F222 HydrophobicContact CB-CZ 4.31Å |
| 170 | T | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 149.6 | -173.7 | 69.6 | 0 | 0 | 0 | 0 | 112.7 | T98 L135 Q140 N155 F157 L168 L174 W175 | T98-T170 WeakPolarHBondContact CG2-O 3.27Å; L135-T170 HydrophobicContact CD2-CG2 3.83Å; Q140-T170 VanDerWaalsContact NE2-CB 3.31Å; Q140-T170 PolarHBondContact NE2-OG1 2.77Å; Q140-T170 PolarHBondContact OE1-OG1 3.07Å; N155-T170 PolarHBondContact N-OG1 3.33Å; N155-T170 VanDerWaalsContact N-OG1 3.15Å; N155-T170 WeakPolarHBondContact O-CB 3.35Å; N155-T170 PolarHBondContact O-N 2.91Å; N155-T170 PolarHBondContact O-OG1 3.07Å; F157-T170 HydrophobicContact CD2-CG2 4.5Å; F157-T170 HydrophobicContact CE2-CG2 4.03Å; L168-T170 HydrophobicContact CG-CG2 4.34Å; T170-L174 CarbonylContact C-O 3.57Å; T170-L174 WeakPolarHBondContact CA-O 3.27Å; T170-W175 HydrophobicContact CG2-CB 4.23Å |
| 171 | A | 97.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 94.1 | 175 | 0 | 0 | 0 | 0 | 0 | 108.4 | T98 E100 R173 L174 F222 F226 | T98-A171 HydrophobicContact CG2-CB 3.86Å; E100-A171 HydrophobicContact CB-CB 4.05Å; E100-A171 HydrophobicContact CG-CB 4.05Å; A171-R173 PolarHBondContact O-N 2.75Å; A171-L174 HydrophobicContact CB-CB 4.48Å; A171-L174 PolarHBondContact N-O 3.5Å; A171-L174 WeakPolarHBondContact O-CB 3.47Å; A171-L174 PolarHBondContact O-N 3.03Å; A171-F222 HydrophobicContact CB-CZ 4.47Å; A171-F226 HydrophobicContact CB-CD1 3.5Å; A171-F226 VanDerWaalsContact CB-CD1 3.5Å; A171-F226 HydrophobicContact CB-CE1 3.81Å; A171-F226 HydrophobicContact CB-CG 4.44Å |
| 172 | G | 95.2 | Very high | 98.2 | Very high | 12 Ų | 12 | 32.2 Ų | 32.2 | 12% | 0.124 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | -116.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L135 Q140 H154 | L135-G172 WeakPolarHBondContact CD1-O 3.09Å; Q140-G172 PolarHBondContact NE2-O 2.6Å; H154-G172 PolarHBondContact CE1-N 2.8Å; H154-G172 PolarHBondContact ND1-N 2.76Å; H154-G172 VanDerWaalsContact ND1-N 3.2Å; H154-G172 PolarHBondContact NE2-N 3.18Å |
| 173 | R | 96.8 | Very high | 98.1 | Very high | 131 Ų | 131 | 30.3 Ų | 30.3 | 49% | 0.494 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -12.8 | 172.5 | -64.3 | -174.7 | 177.4 | -157 | -6.7 | 113.9 | E136 A171 | E136-R173 VanDerWaalsContact O-CZ 3.29Å; E136-R173 PolarHBondContact O-NH1 3.2Å; A171-R173 PolarHBondContact O-N 2.75Å |
| 174 | L | 98.4 | Very high | 98.1 | Very high | 13 Ų | 13 | 29 Ų | 29 | 7% | 0.068 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 155.7 | 179.1 | -53.9 | 174.9 | 0 | 0 | 0 | 110 | E100 T170 A171 H201 L204 V207 F226 | E100-L174 HydrophobicContact CG-CD1 4.42Å; T170-L174 CarbonylContact C-O 3.57Å; T170-L174 WeakPolarHBondContact CA-O 3.27Å; A171-L174 HydrophobicContact CB-CB 4.48Å; A171-L174 PolarHBondContact N-O 3.5Å; A171-L174 WeakPolarHBondContact O-CB 3.47Å; A171-L174 PolarHBondContact O-N 3.03Å; L174-H201 HydrophobicContact CD2-CB 4.41Å; L174-H201 WeakPolarHBondContact CD2-ND1 3.27Å; L174-L204 HydrophobicContact CB-CD1 3.81Å; L174-L204 HydrophobicContact CD1-CD1 4.28Å; L174-V207 HydrophobicContact CD1-CB 3.96Å; L174-V207 HydrophobicContact CD1-CG1 3.82Å; L174-V207 HydrophobicContact CD1-CG2 4.33Å; L174-V207 HydrophobicContact CD2-CG2 4.45Å; L174-F226 HydrophobicContact CD1-CE1 3.94Å; L174-F226 HydrophobicContact CD1-CZ 3.98Å |
| 175 | W | 98.8 | Very high | 98.1 | Very high | 30 Ų | 30 | 29.1 Ų | 29.1 | 11% | 0.114 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 157.7 | -179.9 | 59.7 | -93.2 | 0 | 0 | 0 | 112.3 | L128 T132 L168 E169 T170 A177 A199 H201 | L128-W175 HydrophobicContact CD2-CZ3 4.48Å; T132-W175 HydrophobicContact CG2-CD2 3.53Å; T132-W175 HydrophobicContact CG2-CE3 4.04Å; T132-W175 HydrophobicContact CG2-CG 3.76Å; T132-W175 HydrophobicContact CG2-CH2 4.49Å; T132-W175 HydrophobicContact CG2-CZ2 4.02Å; T132-W175 HydrophobicContact CG2-CZ3 4.49Å; L168-W175 HydrophobicContact CD1-CB 3.88Å; L168-W175 HydrophobicContact CD1-CD2 4.13Å; L168-W175 HydrophobicContact CD1-CE3 3.74Å; L168-W175 HydrophobicContact CD1-CG 4.21Å; E169-W175 CarbonylContact O-C 3.52Å; E169-W175 WeakPolarHBondContact O-CA 3.45Å; T170-W175 HydrophobicContact CG2-CB 4.23Å; W175-A177 HydrophobicContact CE3-CB 4.29Å; W175-A177 HydrophobicContact CZ3-CB 4.03Å; W175-A199 HydrophobicContact CH2-CB 4.01Å; W175-A199 HydrophobicContact CZ3-CB 3.82Å; W175-H201 AromaticContact CD1-CD2 3.78Å; W175-H201 HydrophobicContact CD2-CB 4.31Å; W175-H201 HydrophobicContact CG-CB 4.12Å; W175-H201 AromaticContact NE1-CD2 3.62Å; W175-H201 PolarHBondContact O-N 3.02Å |
| 176 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 154.4 | 163.9 | -67.9 | 0 | 0 | 0 | 0 | 109.6 | E169 I193 I197 E200 L204 F222 | E169-V176 HydrophobicContact CB-CG2 4.1Å; E169-V176 PolarHBondContact N-O 3Å; E169-V176 PolarHBondContact O-N 3.26Å; V176-I193 HydrophobicContact CB-CG2 4.46Å; V176-I193 HydrophobicContact CG2-CB 4.02Å; V176-I193 HydrophobicContact CG2-CD1 3.77Å; V176-I193 HydrophobicContact CG2-CG1 4.48Å; V176-I193 HydrophobicContact CG2-CG2 3.94Å; V176-I197 HydrophobicContact CG1-CD1 4.12Å; V176-I197 HydrophobicContact CG1-CG1 4.47Å; V176-I197 HydrophobicContact CG1-CG2 4.46Å; V176-E200 HydrophobicContact CG1-CB 4.16Å; V176-L204 HydrophobicContact CG1-CD2 3.15Å; V176-L204 HydrophobicContact CG1-CG 4.45Å; V176-F222 HydrophobicContact CB-CD2 4.27Å; V176-F222 HydrophobicContact CB-CG 4.22Å; V176-F222 HydrophobicContact CG1-CB 4.08Å; V176-F222 HydrophobicContact CG1-CD2 3.5Å; V176-F222 VanDerWaalsContact CG1-CD2 3.5Å; V176-F222 HydrophobicContact CG1-CE2 4.02Å; V176-F222 HydrophobicContact CG1-CG 3.79Å; V176-F222 HydrophobicContact CG2-CB 3.98Å; V176-F222 HydrophobicContact CG2-CD1 3.27Å; V176-F222 HydrophobicContact CG2-CD2 3.71Å; V176-F222 HydrophobicContact CG2-CE1 3.53Å; V176-F222 HydrophobicContact CG2-CE2 3.94Å; V176-F222 HydrophobicContact CG2-CG 3.35Å; V176-F222 HydrophobicContact CG2-CZ 3.85Å |
| 177 | A | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 140.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L128 W166 V167 L168 W175 S198 A199 | L128-A177 HydrophobicContact CD1-CB 3.65Å; W166-A177 HydrophobicContact CE3-CB 3.93Å; W166-A177 HydrophobicContact CZ3-CB 4.22Å; V167-A177 CarbonylContact O-C 3.5Å; V167-A177 WeakPolarHBondContact O-CA 3.45Å; L168-A177 HydrophobicContact CD1-CB 4.3Å; W175-A177 HydrophobicContact CE3-CB 4.29Å; W175-A177 HydrophobicContact CZ3-CB 4.03Å; A177-S198 PolarHBondContact O-N 2.88Å; A177-A199 HydrophobicContact CB-CB 4.37Å; A177-A199 PolarHBondContact N-O 2.94Å; A177-A199 PolarHBondContact O-N 3.07Å; A177-A199 VanDerWaalsContact O-N 3.12Å |
| 178 | Q | 98.8 | Very high | 97.8 | Very high | 26 Ų | 26 | 28.5 Ų | 28.5 | 12% | 0.121 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126 | 173.5 | 174.4 | 179.5 | 25 | 0 | 0 | 109.1 | W166 V167 I193 E196 | W166-Q178 WeakPolarHBondContact CA-O 3.23Å; V167-Q178 HydrophobicContact CB-CB 4.46Å; V167-Q178 PolarHBondContact N-O 2.65Å; V167-Q178 PolarHBondContact O-N 2.57Å; Q178-I193 HydrophobicContact CB-CD1 3.93Å; Q178-I193 HydrophobicContact CB-CG1 3.92Å; Q178-I193 HydrophobicContact CB-CG2 4.5Å; Q178-E196 WeakPolarHBondContact CB-O 3.39Å; Q178-E196 HydrophobicContact CG-CB 4.44Å; Q178-E196 WeakPolarHBondContact CG-O 3.43Å |
| 179 | K | 98.7 | Very high | 97.6 | Very high | 87 Ų | 87 | 28.6 Ų | 28.6 | 38% | 0.378 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 134.5 | 169.8 | -171 | 174 | -177 | 158.4 | 0 | 110.3 | E164 W166 S198 | E164-K179 IonicContact OE1-NZ 2.84Å; E164-K179 WeakPolarHBondContact OE2-CE 3.26Å; E164-K179 IonicContact OE2-NZ 2.76Å; E164-K179 PolarHBondContact OE2-NZ 3.16Å; W166-K179 HydrophobicContact CD2-CB 4.19Å; W166-K179 HydrophobicContact CD2-CG 4.37Å; W166-K179 HydrophobicContact CE3-CB 4Å; W166-K179 HydrophobicContact CH2-CB 3.69Å; W166-K179 HydrophobicContact CH2-CD 4.08Å; W166-K179 HydrophobicContact CH2-CG 4.12Å; W166-K179 HydrophobicContact CZ2-CB 3.85Å; W166-K179 HydrophobicContact CZ2-CD 3.65Å; W166-K179 HydrophobicContact CZ2-CG 3.75Å; W166-K179 HydrophobicContact CZ3-CB 3.77Å; K179-S198 WeakPolarHBondContact CB-OG 3.19Å; K179-S198 PolarHBondContact N-OG 2.71Å |
| 180 | V | 98.3 | Very high | 97.4 | Very high | 16 Ų | 16 | 29.6 Ų | 29.6 | 10% | 0.097 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121.1 | 170.6 | -173.5 | 0 | 0 | 0 | 0 | 107.1 | L14 A165 K185 | L14-V180 HydrophobicContact CD1-CG1 3.92Å; A165-V180 HydrophobicContact CB-CB 4.25Å; A165-V180 PolarHBondContact N-O 2.97Å; A165-V180 PolarHBondContact O-N 3.18Å; A165-V180 VanDerWaalsContact O-O 3.13Å; V180-K185 HydrophobicContact CG1-CB 4.23Å; V180-K185 HydrophobicContact CG2-CB 4.38Å; V180-K185 HydrophobicContact CG2-CG 4.17Å |
| 181 | S | 96.8 | Very high | 97.3 | Very high | 76 Ų | 76 | 30 Ų | 30 | 53% | 0.531 | 15% | 0.15 | S | C | . | . | trans | -112 | -14.2 | -173 | 51.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 182 | E | 97 | Very high | 97.3 | Very high | 129 Ų | 129 | 30.2 Ų | 30.2 | 60% | 0.603 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -160.7 | 164.8 | -178 | 64 | -179.8 | -168 | 0 | 0 | 110.7 | P15 | P15-E182 WeakPolarHBondContact O-CA 3.39Å; P15-E182 WeakPolarHBondContact O-CB 3.28Å |
| 183 | G | 97.5 | Very high | 97.4 | Very high | 12 Ų | 12 | 29.6 Ų | 29.6 | 12% | 0.124 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 72.1 | -153.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | S13 L14 | S13-G183 WeakPolarHBondContact CA-O 3.38Å; L14-G183 PolarHBondContact N-O 2.73Å; L14-G183 PolarHBondContact O-N 3.49Å |
| 184 | V | 98.3 | Very high | 97.4 | Very high | 32 Ų | 32 | 27.3 Ų | 27.3 | 19% | 0.194 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 141.9 | -171.9 | -65.4 | 0 | 0 | 0 | 0 | 112.9 | V12 L249 Q250 D253 V256 | V12-V184 WeakPolarHBondContact O-CA 3.31Å; V184-L249 HydrophobicContact CB-CD2 3.58Å; V184-L249 HydrophobicContact CB-CG 3.7Å; V184-L249 HydrophobicContact CG1-CD1 4.38Å; V184-L249 HydrophobicContact CG1-CD2 4.2Å; V184-L249 HydrophobicContact CG1-CG 3.93Å; V184-L249 HydrophobicContact CG2-CD2 4.33Å; V184-L249 HydrophobicContact CG2-CG 4.21Å; V184-Q250 HydrophobicContact CG2-CG 4.36Å; V184-D253 HydrophobicContact CG1-CB 4.36Å; V184-D253 HydrophobicContact CG2-CB 4.14Å; V184-V256 HydrophobicContact CG1-CG2 4.1Å |
| 185 | K | 97.8 | Very high | 97.4 | Very high | 32 Ų | 32 | 28.7 Ų | 28.7 | 14% | 0.139 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 145.2 | 175.7 | -177.3 | 72.1 | 171.1 | -175.5 | 0 | 110.3 | F11 V12 V167 V180 | F11-K185 CarbonylContact C-O 3.45Å; F11-K185 WeakPolarHBondContact CA-O 3.21Å; V12-K185 HydrophobicContact CG1-CB 3.91Å; V12-K185 PolarHBondContact N-O 3.35Å; V12-K185 PolarHBondContact O-N 3.28Å; V167-K185 HydrophobicContact CG2-CG 4.33Å; V180-K185 HydrophobicContact CG1-CB 4.23Å; V180-K185 HydrophobicContact CG2-CB 4.38Å; V180-K185 HydrophobicContact CG2-CG 4.17Å |
| 186 | N | 97.5 | Very high | 97.3 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 162.2 | 167.9 | 69.7 | -60.6 | 0 | 0 | 0 | 111 | C10 F11 Y242 T246 | C10-N186 CarbonylContact O-C 3.54Å; C10-N186 WeakPolarHBondContact O-CA 3.48Å; C10-N186 VanDerWaalsContact O-CB 3.3Å; C10-N186 WeakPolarHBondContact O-CB 3.36Å; F11-N186 HydrophobicContact CD1-CB 3.42Å; F11-N186 VanDerWaalsContact CD1-CB 3.42Å; F11-N186 HydrophobicContact CE1-CB 3.7Å; F11-N186 HydrophobicContact CG-CB 4.18Å; N186-Y242 PolarHBondContact ND2-O 3.06Å; N186-Y242 VanDerWaalsContact O-CE2 3.29Å; N186-Y242 WeakPolarHBondContact O-CE2 3.27Å; N186-T246 WeakPolarHBondContact OD1-CA 3.46Å; N186-T246 PolarHBondContact OD1-OG1 2.91Å |
| 187 | I | 96.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 157.6 | 167.5 | 60.5 | 171.8 | 0 | 0 | 0 | 109.7 | D9 C10 E94 T156 L158 V167 | D9-I187 WeakPolarHBondContact CA-O 3.4Å; C10-I187 HydrophobicContact CB-CD1 4.31Å; C10-I187 HydrophobicContact CB-CG1 3.73Å; C10-I187 PolarHBondContact N-O 3.41Å; C10-I187 PolarHBondContact O-N 3.02Å; E94-I187 WeakPolarHBondContact OE1-CG1 3.5Å; E94-I187 WeakPolarHBondContact OE2-CD1 3.26Å; T156-I187 HydrophobicContact CG2-CD1 4.24Å; L158-I187 HydrophobicContact CB-CD1 3.66Å; L158-I187 HydrophobicContact CB-CG1 4.19Å; V167-I187 HydrophobicContact CB-CG2 4.5Å; V167-I187 HydrophobicContact CG1-CG2 3.79Å; V167-I187 HydrophobicContact CG2-CG2 3.83Å |
| 188 | S | 95.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | -172.3 | 178.6 | -53.3 | 0 | 0 | 0 | 0 | 108.6 | D9 Q190 Y242 | D9-S188 VanDerWaalsContact OD1-CB 3.29Å; D9-S188 WeakPolarHBondContact OD1-CB 3.47Å; D9-S188 PolarHBondContact OD1-OG 3.19Å; S188-Q190 PolarHBondContact O-N 3.36Å; S188-Y242 VanDerWaalsContact OG-CA 3.26Å; S188-Y242 WeakPolarHBondContact OG-CA 3.48Å; S188-Y242 WeakPolarHBondContact OG-CB 3.09Å; S188-Y242 PolarHBondContact OG-N 2.84Å |
| 189 | N | 94.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -71.9 | 56.3 | 178.7 | -67.2 | 72.6 | 0 | 0 | 0 | 114.7 | S7 C8 A95 M235 A238 | S7-N189 WeakPolarHBondContact CA-OD1 3.29Å; S7-N189 WeakPolarHBondContact CB-OD1 3.45Å; S7-N189 WeakPolarHBondContact OG-CB 3.19Å; S7-N189 PolarHBondContact OG-N 2.94Å; S7-N189 VanDerWaalsContact OG-N 3.12Å; S7-N189 PolarHBondContact OG-OD1 3.03Å; C8-N189 PolarHBondContact N-OD1 3.14Å; C8-N189 PolarHBondContact O-OD1 3.15Å; A95-N189 WeakPolarHBondContact CA-ND2 3.47Å; A95-N189 VanDerWaalsContact CB-ND2 3.33Å; A95-N189 WeakPolarHBondContact CB-ND2 3.3Å; A95-N189 PolarHBondContact N-ND2 2.83Å; A95-N189 WeakPolarHBondContact O-CA 3.31Å; A95-N189 WeakPolarHBondContact O-CB 3.37Å; A95-N189 VanDerWaalsContact O-CG 3.31Å; A95-N189 PolarHBondContact O-ND2 2.82Å; N189-M235 WeakPolarHBondContact O-CA 3.47Å; N189-M235 WeakPolarHBondContact O-CG 3.5Å; N189-A238 HydrophobicContact CB-CB 3.82Å; N189-A238 WeakPolarHBondContact O-CB 3.41Å |
| 190 | Q | 94.6 | Very high | 97.3 | Very high | 21 Ų | 21 | 35 Ų | 35 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -152.4 | 165.6 | 172.8 | 59.7 | 167.4 | -17.8 | 0 | 0 | 110.7 | S188 T192 M235 | S188-Q190 PolarHBondContact O-N 3.36Å; Q190-T192 HydrophobicContact CG-CG2 4.01Å; Q190-M235 HydrophobicContact CB-CE 4.4Å; Q190-M235 HydrophobicContact CB-CG 4.24Å |
| 191 | L | 97 | Very high | 97.3 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | trans | -77.3 | 134.8 | 168.5 | -54.2 | -176.5 | 0 | 0 | 0 | 109.6 | V96 T98 E169 F222 F226 M235 | V96-L191 HydrophobicContact CB-CD2 4.08Å; V96-L191 HydrophobicContact CG1-CD2 4.25Å; V96-L191 HydrophobicContact CG2-CD2 4.11Å; T98-L191 HydrophobicContact CG2-CD1 4.21Å; T98-L191 HydrophobicContact CG2-CD2 4.24Å; E169-L191 HydrophobicContact CB-CD2 4.26Å; E169-L191 HydrophobicContact CG-CD2 4.37Å; E169-L191 WeakPolarHBondContact OE2-CA 3.43Å; E169-L191 WeakPolarHBondContact OE2-CB 3.23Å; L191-F222 HydrophobicContact CD1-CD1 4.39Å; L191-F222 HydrophobicContact CD1-CE1 3.88Å; L191-F222 HydrophobicContact CD1-CZ 4.45Å; L191-F222 HydrophobicContact CD2-CE1 3.98Å; L191-F222 HydrophobicContact CG-CE1 4.35Å; L191-F226 HydrophobicContact CD1-CB 3.95Å; L191-M235 HydrophobicContact CG-CE 4.25Å | ||
| 192 | T | 96.5 | Very high | 97.4 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | trans | -128.9 | -15.9 | -172.3 | 66.6 | 0 | 0 | 0 | 0 | 112.6 | E169 Q190 H194 Y242 | E169-T192 VanDerWaalsContact CD-N 3.28Å; E169-T192 WeakPolarHBondContact OE1-CA 3Å; E169-T192 WeakPolarHBondContact OE1-CB 3.41Å; E169-T192 PolarHBondContact OE1-N 2.82Å; E169-T192 PolarHBondContact OE1-OG1 3.25Å; E169-T192 PolarHBondContact OE2-N 2.78Å; E169-T192 VanDerWaalsContact OE2-N 3.12Å; Q190-T192 HydrophobicContact CG-CG2 4.01Å; T192-H194 PolarHBondContact O-N 3.21Å; T192-Y242 HydrophobicContact CG2-CD2 4.03Å; T192-Y242 HydrophobicContact CG2-CE2 3.68Å | ||
| 193 | I | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -79 | 112.8 | 176.9 | -63.2 | 172.2 | 0 | 0 | 0 | 108.5 | V167 E169 V176 Q178 I197 F222 S223 | V167-I193 HydrophobicContact CB-CD1 4.18Å; V167-I193 HydrophobicContact CB-CG1 4.48Å; V167-I193 HydrophobicContact CG1-CD1 3.88Å; V167-I193 HydrophobicContact CG1-CG1 4.07Å; V167-I193 WeakPolarHBondContact O-CD1 3.21Å; E169-I193 HydrophobicContact CB-CD1 4.23Å; E169-I193 HydrophobicContact CG-CD1 4.04Å; E169-I193 HydrophobicContact CG-CG1 4.37Å; E169-I193 PolarHBondContact OE1-N 3.31Å; E169-I193 PolarHBondContact OE2-N 3.4Å; E169-I193 VanDerWaalsContact OE2-N 3.16Å; V176-I193 HydrophobicContact CB-CG2 4.46Å; V176-I193 HydrophobicContact CG2-CB 4.02Å; V176-I193 HydrophobicContact CG2-CD1 3.77Å; V176-I193 HydrophobicContact CG2-CG1 4.48Å; V176-I193 HydrophobicContact CG2-CG2 3.94Å; Q178-I193 HydrophobicContact CB-CD1 3.93Å; Q178-I193 HydrophobicContact CB-CG1 3.92Å; Q178-I193 HydrophobicContact CB-CG2 4.5Å; I193-I197 HydrophobicContact CG2-CG1 3.84Å; I193-F222 HydrophobicContact CB-CD1 4.44Å; I193-S223 VanDerWaalsContact O-CB 3.31Å; I193-S223 WeakPolarHBondContact O-CB 3.14Å; I193-S223 PolarHBondContact O-N 3.28Å | ||
| 194 | H | 97.7 | Very high | 97.4 | Very high | 83 Ų | 83 | 35.9 Ų | 35.9 | 38% | 0.384 | 19% | 0.194 | S | C | . | . | trans | -88.8 | -100.1 | 176.6 | -63 | -53.9 | 0 | 0 | 0 | 109.6 | T192 N221 F222 S223 | T192-H194 PolarHBondContact O-N 3.21Å; H194-N221 CarbonylContact O-C 3.58Å; H194-N221 WeakPolarHBondContact O-CA 3.44Å; H194-F222 PolarHBondContact O-N 2.88Å; H194-S223 PolarHBondContact CE1-OG 3.12Å; H194-S223 PolarHBondContact ND1-OG 2.92Å | ||
| 195 | T | 97.8 | Very high | 97.4 | Very high | 42 Ų | 42 | 38.5 Ų | 38.5 | 26% | 0.258 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -110.4 | -11.5 | -175.8 | 60.6 | 0 | 0 | 0 | 0 | 112.3 | I197 E219 N221 | T195-I197 PolarHBondContact O-N 3.1Å; T195-E219 WeakPolarHBondContact CB-OE1 3.38Å; T195-E219 HydrophobicContact CG2-CB 4.39Å; T195-E219 HydrophobicContact CG2-CG 3.64Å; T195-E219 WeakPolarHBondContact CG2-OE2 3.16Å; T195-N221 HydrophobicContact CG2-CB 3.98Å |
| 196 | E | 97.1 | Very high | 97.5 | Very high | 98 Ų | 98 | 39.5 Ų | 39.5 | 46% | 0.458 | 21% | 0.212 | S | C | . | . | trans | -76.7 | 54.6 | 179.5 | -53.2 | 86.9 | 167.8 | 0 | 0 | 112.5 | Q178 | Q178-E196 WeakPolarHBondContact CB-O 3.39Å; Q178-E196 HydrophobicContact CG-CB 4.44Å; Q178-E196 WeakPolarHBondContact CG-O 3.43Å | ||
| 197 | I | 98.4 | Very high | 97.5 | Very high | 35 Ų | 35 | 40.8 Ų | 40.8 | 18% | 0.179 | 22% | 0.22 | C | C | . | . | trans | -84.1 | 120.1 | -178.2 | -61.4 | 170.9 | 0 | 0 | 0 | 109.2 | V176 I193 T195 A199 E200 F220 F222 | V176-I197 HydrophobicContact CG1-CD1 4.12Å; V176-I197 HydrophobicContact CG1-CG1 4.47Å; V176-I197 HydrophobicContact CG1-CG2 4.46Å; I193-I197 HydrophobicContact CG2-CG1 3.84Å; T195-I197 PolarHBondContact O-N 3.1Å; I197-A199 WeakPolarHBondContact CG2-O 3.28Å; I197-E200 HydrophobicContact CG2-CB 3.96Å; I197-E200 HydrophobicContact CG2-CG 4.39Å; I197-F220 HydrophobicContact CD1-CD1 3.63Å; I197-F220 HydrophobicContact CD1-CE1 4.07Å; I197-F222 HydrophobicContact CD1-CB 4.32Å | ||
| 198 | S | 98.6 | Very high | 97.5 | Very high | 66 Ų | 66 | 40.8 Ų | 40.8 | 46% | 0.462 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -96.3 | -31.9 | 177.6 | -58 | 0 | 0 | 0 | 0 | 112.4 | A177 K179 | A177-S198 PolarHBondContact O-N 2.88Å; K179-S198 WeakPolarHBondContact CB-OG 3.19Å; K179-S198 PolarHBondContact N-OG 2.71Å |
| 199 | A | 98.7 | Very high | 97.6 | Very high | 20 Ų | 20 | 45.4 Ų | 45.4 | 17% | 0.165 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 152.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | W125 W175 A177 I197 | W125-A199 HydrophobicContact CH2-CB 3.99Å; W125-A199 HydrophobicContact CZ3-CB 4.12Å; W175-A199 HydrophobicContact CH2-CB 4.01Å; W175-A199 HydrophobicContact CZ3-CB 3.82Å; A177-A199 HydrophobicContact CB-CB 4.37Å; A177-A199 PolarHBondContact N-O 2.94Å; A177-A199 PolarHBondContact O-N 3.07Å; A177-A199 VanDerWaalsContact O-N 3.12Å; I197-A199 WeakPolarHBondContact CG2-O 3.28Å |
| 200 | E | 98.7 | Very high | 97.8 | Very high | 57 Ų | 57 | 51.9 Ų | 51.9 | 27% | 0.266 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 157.3 | -179.6 | 58.3 | -178.7 | -148.4 | 0 | 0 | 111.6 | V176 I197 L204 R205 | V176-E200 HydrophobicContact CG1-CB 4.16Å; I197-E200 HydrophobicContact CG2-CB 3.96Å; I197-E200 HydrophobicContact CG2-CG 4.39Å; E200-L204 HydrophobicContact CB-CD2 4.01Å; E200-R205 VanDerWaalsContact CD-NE 3.34Å; E200-R205 IonicContact OE1-CZ 3.93Å; E200-R205 IonicContact OE1-NE 2.71Å; E200-R205 PolarHBondContact OE1-NE 2.98Å; E200-R205 IonicContact OE1-NH2 3.3Å; E200-R205 IonicContact OE2-CZ 2.67Å; E200-R205 IonicContact OE2-NE 3.86Å; E200-R205 PolarHBondContact OE2-NE 3.02Å; E200-R205 IonicContact OE2-NH2 3.85Å; E200-R205 PolarHBondContact OE2-NH2 2.84Å |
| 201 | H | 98.6 | Very high | 97.9 | Very high | 18 Ų | 18 | 56.2 Ų | 56.2 | 8% | 0.083 | 30% | 0.295 | C | S | . | . | trans | -61.2 | 133 | 169.4 | -173.6 | -81.2 | 0 | 0 | 0 | 110 | L174 W175 E203 L204 | L174-H201 HydrophobicContact CD2-CB 4.41Å; L174-H201 WeakPolarHBondContact CD2-ND1 3.27Å; W175-H201 AromaticContact CD1-CD2 3.78Å; W175-H201 HydrophobicContact CD2-CB 4.31Å; W175-H201 HydrophobicContact CG-CB 4.12Å; W175-H201 AromaticContact NE1-CD2 3.62Å; W175-H201 PolarHBondContact O-N 3.02Å; H201-E203 PolarHBondContact ND1-N 2.95Å; H201-E203 VanDerWaalsContact ND1-N 3.14Å; H201-E203 PolarHBondContact O-N 3.01Å; H201-E203 VanDerWaalsContact O-N 3.07Å; H201-L204 HydrophobicContact CB-CB 4.25Å; H201-L204 WeakPolarHBondContact O-CB 3.43Å; H201-L204 PolarHBondContact O-N 2.85Å | ||
| 202 | P | 98 | Very high | 97.9 | Very high | 117 Ų | 117 | 58.9 Ų | 58.9 | 76% | 0.76 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -32.5 | -174.3 | -27.8 | 34.6 | 0 | 0 | 0 | 114.8 | ||
| 203 | E | 98 | Very high | 97.9 | Very high | 115 Ų | 115 | 61.2 Ų | 61.2 | 54% | 0.537 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -0.4 | -179 | -54.7 | -174.3 | 163.3 | 0 | 0 | 114.2 | H201 R205 S206 V207 | H201-E203 PolarHBondContact ND1-N 2.95Å; H201-E203 VanDerWaalsContact ND1-N 3.14Å; H201-E203 PolarHBondContact O-N 3.01Å; H201-E203 VanDerWaalsContact O-N 3.07Å; E203-R205 VanDerWaalsContact C-N 3.34Å; E203-R205 PolarHBondContact O-N 2.89Å; E203-S206 WeakPolarHBondContact CA-OG 3.24Å; E203-S206 PolarHBondContact O-N 2.79Å; E203-S206 PolarHBondContact O-OG 2.93Å; E203-V207 HydrophobicContact CB-CG2 4.27Å; E203-V207 WeakPolarHBondContact O-CB 3.45Å; E203-V207 VanDerWaalsContact O-CG2 3.32Å; E203-V207 WeakPolarHBondContact O-CG2 3.42Å; E203-V207 PolarHBondContact O-N 2.94Å |
| 204 | L | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -53.5 | -51 | -173 | 178.2 | 75.7 | 0 | 0 | 0 | 112.3 | L174 V176 E200 H201 A208 F220 F222 F226 | L174-L204 HydrophobicContact CB-CD1 3.81Å; L174-L204 HydrophobicContact CD1-CD1 4.28Å; V176-L204 HydrophobicContact CG1-CD2 3.15Å; V176-L204 HydrophobicContact CG1-CG 4.45Å; E200-L204 HydrophobicContact CB-CD2 4.01Å; H201-L204 HydrophobicContact CB-CB 4.25Å; H201-L204 WeakPolarHBondContact O-CB 3.43Å; H201-L204 PolarHBondContact O-N 2.85Å; L204-A208 WeakPolarHBondContact O-CB 3Å; L204-A208 PolarHBondContact O-N 3.15Å; L204-F220 HydrophobicContact CD2-CE1 3.71Å; L204-F220 HydrophobicContact CD2-CZ 3.96Å; L204-F220 HydrophobicContact CG-CE1 4.35Å; L204-F220 HydrophobicContact CG-CZ 4.09Å; L204-F222 HydrophobicContact CD1-CD2 4.17Å; L204-F222 HydrophobicContact CD1-CE2 3.9Å; L204-F222 HydrophobicContact CD2-CD2 4.2Å; L204-F226 HydrophobicContact CD1-CD2 4.41Å; L204-F226 HydrophobicContact CD1-CE1 4.21Å; L204-F226 HydrophobicContact CD1-CE2 3.58Å; L204-F226 HydrophobicContact CD1-CZ 3.45Å; L204-F226 VanDerWaalsContact CD1-CZ 3.45Å; L204-F226 HydrophobicContact CG-CE2 4.14Å; L204-F226 HydrophobicContact CG-CZ 4.29Å |
| 205 | R | 98.2 | Very high | 97.7 | Very high | 87 Ų | 87 | 64.6 Ų | 64.6 | 33% | 0.328 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -73.6 | -36.3 | -175.1 | -66.6 | -171.9 | -166.5 | -143.1 | -3.3 | 112.5 | E200 E203 K209 W214 F220 | E200-R205 VanDerWaalsContact CD-NE 3.34Å; E200-R205 IonicContact OE1-CZ 3.93Å; E200-R205 IonicContact OE1-NE 2.71Å; E200-R205 PolarHBondContact OE1-NE 2.98Å; E200-R205 IonicContact OE1-NH2 3.3Å; E200-R205 IonicContact OE2-CZ 2.67Å; E200-R205 IonicContact OE2-NE 3.86Å; E200-R205 PolarHBondContact OE2-NE 3.02Å; E200-R205 IonicContact OE2-NH2 3.85Å; E200-R205 PolarHBondContact OE2-NH2 2.84Å; E203-R205 VanDerWaalsContact C-N 3.34Å; E203-R205 PolarHBondContact O-N 2.89Å; R205-K209 WeakPolarHBondContact O-CG 3.43Å; R205-K209 PolarHBondContact O-N 3.48Å; R205-K209 VanDerWaalsContact O-N 3.09Å; R205-W214 HydrophobicContact CB-CE3 4.4Å; R205-W214 HydrophobicContact CB-CZ3 3.95Å; R205-W214 HydrophobicContact CG-CZ3 4.21Å; R205-F220 HydrophobicContact CG-CD2 4.08Å; R205-F220 HydrophobicContact CG-CE2 4.09Å; R205-F220 HydrophobicContact CG-CG 4.3Å; R205-F220 HydrophobicContact CG-CZ 4.32Å |
| 206 | S | 97.9 | Very high | 97.5 | Very high | 54 Ų | 54 | 63.4 Ų | 63.4 | 38% | 0.378 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.8 | -45.4 | 176.1 | 46.5 | 0 | 0 | 0 | 0 | 110.6 | E203 A208 K209 D210 | E203-S206 WeakPolarHBondContact CA-OG 3.24Å; E203-S206 PolarHBondContact O-N 2.79Å; E203-S206 PolarHBondContact O-OG 2.93Å; S206-A208 VanDerWaalsContact C-N 3.33Å; S206-A208 PolarHBondContact O-N 2.82Å; S206-K209 WeakPolarHBondContact O-CB 3.39Å; S206-K209 PolarHBondContact O-N 3.45Å; S206-K209 VanDerWaalsContact O-N 3.11Å; S206-D210 VanDerWaalsContact O-CG 3.27Å; S206-D210 PolarHBondContact O-N 3.42Å |
| 207 | V | 97.6 | Very high | 97.4 | Very high | 30 Ų | 30 | 65.2 Ų | 65.2 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 175.4 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | L174 E203 K209 D210 Q211 | L174-V207 HydrophobicContact CD1-CB 3.96Å; L174-V207 HydrophobicContact CD1-CG1 3.82Å; L174-V207 HydrophobicContact CD1-CG2 4.33Å; L174-V207 HydrophobicContact CD2-CG2 4.45Å; E203-V207 HydrophobicContact CB-CG2 4.27Å; E203-V207 WeakPolarHBondContact O-CB 3.45Å; E203-V207 VanDerWaalsContact O-CG2 3.32Å; E203-V207 WeakPolarHBondContact O-CG2 3.42Å; E203-V207 PolarHBondContact O-N 2.94Å; V207-K209 VanDerWaalsContact C-N 3.26Å; V207-K209 PolarHBondContact O-N 2.89Å; V207-D210 PolarHBondContact O-N 3.24Å; V207-Q211 HydrophobicContact CG1-CG 4.03Å; V207-Q211 WeakPolarHBondContact O-CB 3.44Å; V207-Q211 VanDerWaalsContact O-CG 3.22Å; V207-Q211 WeakPolarHBondContact O-CG 3.3Å; V207-Q211 PolarHBondContact O-N 3.28Å |
| 208 | A | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.2 | -35.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L204 S206 G212 W213 W214 F220 V225 F226 | L204-A208 WeakPolarHBondContact O-CB 3Å; L204-A208 PolarHBondContact O-N 3.15Å; S206-A208 VanDerWaalsContact C-N 3.33Å; S206-A208 PolarHBondContact O-N 2.82Å; A208-G212 PolarHBondContact O-N 2.84Å; A208-W213 WeakPolarHBondContact O-CA 3.06Å; A208-W213 PolarHBondContact O-N 3Å; A208-W214 HydrophobicContact CB-CB 4.17Å; A208-W214 PolarHBondContact O-N 2.81Å; A208-W214 VanDerWaalsContact O-N 3.1Å; A208-F220 HydrophobicContact CB-CE2 4.05Å; A208-V225 HydrophobicContact CB-CG1 3.77Å; A208-F226 HydrophobicContact CB-CE2 4.03Å; A208-F226 HydrophobicContact CB-CZ 4.27Å |
| 209 | K | 97.7 | Very high | 97 | Very high | 97 Ų | 97 | 70.6 Ų | 70.6 | 42% | 0.422 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -71.1 | -47.2 | 174.6 | -72.4 | -179.8 | -171.5 | -159.5 | 0 | 112.3 | R205 S206 V207 Q211 G212 W214 | R205-K209 WeakPolarHBondContact O-CG 3.43Å; R205-K209 PolarHBondContact O-N 3.48Å; R205-K209 VanDerWaalsContact O-N 3.09Å; S206-K209 WeakPolarHBondContact O-CB 3.39Å; S206-K209 PolarHBondContact O-N 3.45Å; S206-K209 VanDerWaalsContact O-N 3.11Å; V207-K209 VanDerWaalsContact C-N 3.26Å; V207-K209 PolarHBondContact O-N 2.89Å; K209-Q211 PolarHBondContact O-N 2.85Å; K209-G212 WeakPolarHBondContact O-CA 3.5Å; K209-G212 PolarHBondContact O-N 2.89Å; K209-W214 WeakPolarHBondContact CA-O 3.38Å; K209-W214 HydrophobicContact CD-CE3 4.31Å; K209-W214 HydrophobicContact CD-CZ3 4.37Å; K209-W214 VanDerWaalsContact CE-CE3 3.46Å; K209-W214 HydrophobicContact CG-CE3 3.83Å; K209-W214 HydrophobicContact CG-CZ3 4.37Å |
| 210 | D | 97.6 | Very high | 96.9 | Very high | 137 Ų | 137 | 69.9 Ų | 69.9 | 73% | 0.733 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.2 | -32.8 | -177.6 | -67.7 | -17.1 | 0 | 0 | 0 | 111.5 | S206 V207 G212 | S206-D210 VanDerWaalsContact O-CG 3.27Å; S206-D210 PolarHBondContact O-N 3.42Å; V207-D210 PolarHBondContact O-N 3.24Å; D210-G212 VanDerWaalsContact C-N 3.28Å; D210-G212 PolarHBondContact O-N 2.83Å |
| 211 | Q | 96.8 | Very high | 96.9 | Very high | 112 Ų | 112 | 68.5 Ų | 68.5 | 52% | 0.523 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -4.3 | 173.2 | -62.6 | -65.3 | -15.5 | 0 | 0 | 113.7 | V207 K209 W213 | V207-Q211 HydrophobicContact CG1-CG 4.03Å; V207-Q211 WeakPolarHBondContact O-CB 3.44Å; V207-Q211 VanDerWaalsContact O-CG 3.22Å; V207-Q211 WeakPolarHBondContact O-CG 3.3Å; V207-Q211 PolarHBondContact O-N 3.28Å; K209-Q211 PolarHBondContact O-N 2.85Å; Q211-W213 HydrophobicContact CB-CD2 3.6Å; Q211-W213 VanDerWaalsContact CB-CE2 3.42Å; Q211-W213 HydrophobicContact CB-CE3 4.07Å; Q211-W213 HydrophobicContact CB-CG 3.96Å; Q211-W213 HydrophobicContact CB-CH2 4.22Å; Q211-W213 HydrophobicContact CB-CZ2 3.78Å; Q211-W213 HydrophobicContact CB-CZ3 4.34Å; Q211-W213 HydrophobicContact CG-CD2 4.34Å; Q211-W213 HydrophobicContact CG-CE3 4.42Å; Q211-W213 HydrophobicContact CG-CH2 3.94Å; Q211-W213 HydrophobicContact CG-CZ2 3.85Å; Q211-W213 HydrophobicContact CG-CZ3 4.21Å; Q211-W213 PolarHBondContact O-N 2.94Å |
| 212 | G | 96.9 | Very high | 96.9 | Very high | 63 Ų | 63 | 67.7 Ų | 67.7 | 65% | 0.649 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 18.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A208 K209 D210 | A208-G212 PolarHBondContact O-N 2.84Å; K209-G212 WeakPolarHBondContact O-CA 3.5Å; K209-G212 PolarHBondContact O-N 2.89Å; D210-G212 VanDerWaalsContact C-N 3.28Å; D210-G212 PolarHBondContact O-N 2.83Å |
| 213 | W | 96.7 | Very high | 96.8 | Very high | 54 Ų | 54 | 62.6 Ų | 62.6 | 21% | 0.205 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -80.9 | -24.5 | 177.7 | -57.3 | -17.3 | 0 | 0 | 0 | 112.8 | R99 E100 A208 Q211 V225 F226 | R99-W213 HydrophobicContact CB-CD2 4.11Å; R99-W213 HydrophobicContact CB-CE3 4.23Å; R99-W213 HydrophobicContact CB-CH2 3.86Å; R99-W213 HydrophobicContact CB-CZ2 3.72Å; R99-W213 HydrophobicContact CB-CZ3 4.13Å; R99-W213 VanDerWaalsContact NH1-CD1 3.32Å; E100-W213 HydrophobicContact CG-CH2 3.89Å; E100-W213 HydrophobicContact CG-CZ3 4Å; E100-W213 WeakPolarHBondContact OE1-CH2 3.13Å; E100-W213 WeakPolarHBondContact OE1-CZ3 3.41Å; A208-W213 WeakPolarHBondContact O-CA 3.06Å; A208-W213 PolarHBondContact O-N 3Å; Q211-W213 HydrophobicContact CB-CD2 3.6Å; Q211-W213 VanDerWaalsContact CB-CE2 3.42Å; Q211-W213 HydrophobicContact CB-CE3 4.07Å; Q211-W213 HydrophobicContact CB-CG 3.96Å; Q211-W213 HydrophobicContact CB-CH2 4.22Å; Q211-W213 HydrophobicContact CB-CZ2 3.78Å; Q211-W213 HydrophobicContact CB-CZ3 4.34Å; Q211-W213 HydrophobicContact CG-CD2 4.34Å; Q211-W213 HydrophobicContact CG-CE3 4.42Å; Q211-W213 HydrophobicContact CG-CH2 3.94Å; Q211-W213 HydrophobicContact CG-CZ2 3.85Å; Q211-W213 HydrophobicContact CG-CZ3 4.21Å; Q211-W213 PolarHBondContact O-N 2.94Å; W213-V225 HydrophobicContact CB-CG1 3.88Å; W213-F226 HydrophobicContact CE3-CD1 4.37Å; W213-F226 HydrophobicContact CE3-CE1 4.01Å; W213-F226 HydrophobicContact CE3-CZ 4.14Å; W213-F226 HydrophobicContact CZ3-CD1 4.1Å; W213-F226 AromaticContact CZ3-CE1 3.6Å; W213-F226 HydrophobicContact CZ3-CE1 3.6Å; W213-F226 HydrophobicContact CZ3-CZ 4.08Å |
| 214 | W | 97.4 | Very high | 96.7 | Very high | 33 Ų | 33 | 63.8 Ų | 63.8 | 13% | 0.125 | 35% | 0.347 | C | S | . | . | trans | -135.9 | 131.8 | 173.5 | -178.9 | 47.8 | 0 | 0 | 0 | 110 | R205 A208 K209 G216 Q217 F220 V225 | R205-W214 HydrophobicContact CB-CE3 4.4Å; R205-W214 HydrophobicContact CB-CZ3 3.95Å; R205-W214 HydrophobicContact CG-CZ3 4.21Å; A208-W214 HydrophobicContact CB-CB 4.17Å; A208-W214 PolarHBondContact O-N 2.81Å; A208-W214 VanDerWaalsContact O-N 3.1Å; K209-W214 WeakPolarHBondContact CA-O 3.38Å; K209-W214 HydrophobicContact CD-CE3 4.31Å; K209-W214 HydrophobicContact CD-CZ3 4.37Å; K209-W214 VanDerWaalsContact CE-CE3 3.46Å; K209-W214 HydrophobicContact CG-CE3 3.83Å; K209-W214 HydrophobicContact CG-CZ3 4.37Å; W214-G216 VanDerWaalsContact CE2-CA 3.4Å; W214-G216 PolarHBondContact O-N 2.79Å; W214-Q217 PolarHBondContact NE1-O 2.92Å; W214-F220 HydrophobicContact CB-CE2 4.44Å; W214-F220 AromaticContact CD2-CD2 3.57Å; W214-F220 HydrophobicContact CD2-CD2 3.57Å; W214-F220 HydrophobicContact CD2-CE2 4.14Å; W214-F220 AromaticContact CE2-CD2 3.96Å; W214-F220 AromaticContact CE3-CD2 3.55Å; W214-F220 HydrophobicContact CE3-CD2 3.55Å; W214-F220 AromaticContact CE3-CE2 3.96Å; W214-F220 HydrophobicContact CE3-CE2 3.96Å; W214-F220 HydrophobicContact CG-CD2 4.05Å; W214-F220 HydrophobicContact CG-CE2 4.36Å; W214-F220 HydrophobicContact CH2-CB 4.4Å; W214-F220 HydrophobicContact CH2-CD2 4.29Å; W214-F220 HydrophobicContact CZ2-CB 4.23Å; W214-F220 HydrophobicContact CZ2-CD2 4.31Å; W214-F220 AromaticContact CZ3-CD2 3.92Å; W214-F220 HydrophobicContact CZ3-CD2 3.92Å; W214-V225 HydrophobicContact CB-CG1 4.12Å; W214-V225 HydrophobicContact CB-CG2 4.06Å; W214-V225 HydrophobicContact CG-CG2 4.36Å | ||
| 215 | D | 95.3 | Very high | 96.7 | Very high | 122 Ų | 122 | 64.2 Ų | 64.2 | 65% | 0.652 | 35% | 0.35 | S | S | * | . | trans | -77.7 | -4.7 | -179.9 | 64.8 | -1.5 | 0 | 0 | 0 | 113.3 | Q217 | D215-Q217 VanDerWaalsContact C-N 3.26Å; D215-Q217 PolarHBondContact O-N 2.58Å; D215-Q217 WeakPolarHBondContact OD1-CB 3.46Å; D215-Q217 PolarHBondContact OD1-N 3.1Å | ||
| 216 | G | 94.3 | Very high | 96.7 | Very high | 16 Ų | 16 | 60.1 Ų | 60.1 | 17% | 0.165 | 34% | 0.335 | C | S | . | . | S | Bend | trans | 78.8 | 7.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | W214 | W214-G216 VanDerWaalsContact CE2-CA 3.4Å; W214-G216 PolarHBondContact O-N 2.79Å |
| 217 | Q | 93.8 | Very high | 96.6 | Very high | 137 Ų | 137 | 59.4 Ų | 59.4 | 64% | 0.64 | 33% | 0.33 | S | S | * | . | trans | -104.5 | 152.8 | 175.5 | -55.5 | -57.1 | -48.7 | 0 | 0 | 110.4 | W214 D215 | W214-Q217 PolarHBondContact NE1-O 2.92Å; D215-Q217 VanDerWaalsContact C-N 3.26Å; D215-Q217 PolarHBondContact O-N 2.58Å; D215-Q217 WeakPolarHBondContact OD1-CB 3.46Å; D215-Q217 PolarHBondContact OD1-N 3.1Å | ||
| 218 | G | 92.4 | Very high | 96.4 | Very high | 70 Ų | 70 | 59.1 Ų | 59.1 | 72% | 0.722 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 70.4 | -170.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 219 | E | 95.5 | Very high | 96 | Very high | 144 Ų | 144 | 66.9 Ų | 66.9 | 67% | 0.673 | 37% | 0.365 | S | S | * | . | trans | -77.3 | 137.8 | 177.4 | -168 | 172.8 | -147.7 | 0 | 0 | 110.4 | T195 N221 | T195-E219 WeakPolarHBondContact CB-OE1 3.38Å; T195-E219 HydrophobicContact CG2-CB 4.39Å; T195-E219 HydrophobicContact CG2-CG 3.64Å; T195-E219 WeakPolarHBondContact CG2-OE2 3.16Å; E219-N221 PolarHBondContact O-N 2.91Å | ||
| 220 | F | 97.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.018 | 38% | 0.382 | C | S | . | . | trans | -79.1 | 114.6 | -179.3 | -176.9 | -93.4 | 0 | 0 | 0 | 110 | I197 L204 R205 A208 W214 F222 V225 F226 | I197-F220 HydrophobicContact CD1-CD1 3.63Å; I197-F220 HydrophobicContact CD1-CE1 4.07Å; L204-F220 HydrophobicContact CD2-CE1 3.71Å; L204-F220 HydrophobicContact CD2-CZ 3.96Å; L204-F220 HydrophobicContact CG-CE1 4.35Å; L204-F220 HydrophobicContact CG-CZ 4.09Å; R205-F220 HydrophobicContact CG-CD2 4.08Å; R205-F220 HydrophobicContact CG-CE2 4.09Å; R205-F220 HydrophobicContact CG-CG 4.3Å; R205-F220 HydrophobicContact CG-CZ 4.32Å; A208-F220 HydrophobicContact CB-CE2 4.05Å; W214-F220 HydrophobicContact CB-CE2 4.44Å; W214-F220 AromaticContact CD2-CD2 3.57Å; W214-F220 HydrophobicContact CD2-CD2 3.57Å; W214-F220 HydrophobicContact CD2-CE2 4.14Å; W214-F220 AromaticContact CE2-CD2 3.96Å; W214-F220 AromaticContact CE3-CD2 3.55Å; W214-F220 HydrophobicContact CE3-CD2 3.55Å; W214-F220 AromaticContact CE3-CE2 3.96Å; W214-F220 HydrophobicContact CE3-CE2 3.96Å; W214-F220 HydrophobicContact CG-CD2 4.05Å; W214-F220 HydrophobicContact CG-CE2 4.36Å; W214-F220 HydrophobicContact CH2-CB 4.4Å; W214-F220 HydrophobicContact CH2-CD2 4.29Å; W214-F220 HydrophobicContact CZ2-CB 4.23Å; W214-F220 HydrophobicContact CZ2-CD2 4.31Å; W214-F220 AromaticContact CZ3-CD2 3.92Å; W214-F220 HydrophobicContact CZ3-CD2 3.92Å; F220-F222 HydrophobicContact CE1-CB 4.06Å; F220-F222 HydrophobicContact CE1-CD2 4.35Å; F220-V225 HydrophobicContact CD2-CG2 4.39Å; F220-V225 HydrophobicContact CE2-CB 4.31Å; F220-V225 HydrophobicContact CE2-CG1 4Å; F220-V225 HydrophobicContact CE2-CG2 4.11Å; F220-V225 HydrophobicContact CZ-CB 4.4Å; F220-V225 HydrophobicContact CZ-CG1 4.21Å; F220-F226 HydrophobicContact CZ-CD2 4.38Å; F220-F226 AromaticContact CZ-CE2 3.95Å; F220-F226 HydrophobicContact CZ-CE2 3.95Å | ||
| 221 | N | 98.1 | Very high | 95.2 | Very high | 29 Ų | 29 | 64.2 Ų | 64.2 | 16% | 0.155 | 36% | 0.357 | C | S | . | . | trans | -105.4 | 106.4 | 175.8 | -174.2 | -47.9 | 0 | 0 | 0 | 110.3 | H194 T195 E219 S223 Q224 V225 | H194-N221 CarbonylContact O-C 3.58Å; H194-N221 WeakPolarHBondContact O-CA 3.44Å; T195-N221 HydrophobicContact CG2-CB 3.98Å; E219-N221 PolarHBondContact O-N 2.91Å; N221-S223 PolarHBondContact OD1-N 3Å; N221-S223 PolarHBondContact OD1-OG 3.14Å; N221-Q224 HydrophobicContact CB-CB 4.01Å; N221-Q224 PolarHBondContact O-N 2.94Å; N221-Q224 WeakPolarHBondContact OD1-CB 3.24Å; N221-Q224 PolarHBondContact OD1-N 2.95Å; N221-V225 WeakPolarHBondContact O-CB 3.27Å; N221-V225 VanDerWaalsContact O-CG2 3.23Å; N221-V225 WeakPolarHBondContact O-CG2 3.42Å; N221-V225 PolarHBondContact O-N 3.33Å | ||
| 222 | F | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.2 | -52.8 | -172.3 | 173.8 | -100.6 | 0 | 0 | 0 | 112.3 | E169 A171 V176 L191 I193 H194 I197 L204 F220 Q224 V225 F226 | E169-F222 HydrophobicContact CB-CD1 4.43Å; E169-F222 HydrophobicContact CB-CE1 3.66Å; E169-F222 HydrophobicContact CB-CZ 4.31Å; A171-F222 HydrophobicContact CB-CZ 4.47Å; V176-F222 HydrophobicContact CB-CD2 4.27Å; V176-F222 HydrophobicContact CB-CG 4.22Å; V176-F222 HydrophobicContact CG1-CB 4.08Å; V176-F222 HydrophobicContact CG1-CD2 3.5Å; V176-F222 VanDerWaalsContact CG1-CD2 3.5Å; V176-F222 HydrophobicContact CG1-CE2 4.02Å; V176-F222 HydrophobicContact CG1-CG 3.79Å; V176-F222 HydrophobicContact CG2-CB 3.98Å; V176-F222 HydrophobicContact CG2-CD1 3.27Å; V176-F222 HydrophobicContact CG2-CD2 3.71Å; V176-F222 HydrophobicContact CG2-CE1 3.53Å; V176-F222 HydrophobicContact CG2-CE2 3.94Å; V176-F222 HydrophobicContact CG2-CG 3.35Å; V176-F222 HydrophobicContact CG2-CZ 3.85Å; L191-F222 HydrophobicContact CD1-CD1 4.39Å; L191-F222 HydrophobicContact CD1-CE1 3.88Å; L191-F222 HydrophobicContact CD1-CZ 4.45Å; L191-F222 HydrophobicContact CD2-CE1 3.98Å; L191-F222 HydrophobicContact CG-CE1 4.35Å; I193-F222 HydrophobicContact CB-CD1 4.44Å; H194-F222 PolarHBondContact O-N 2.88Å; I197-F222 HydrophobicContact CD1-CB 4.32Å; L204-F222 HydrophobicContact CD1-CD2 4.17Å; L204-F222 HydrophobicContact CD1-CE2 3.9Å; L204-F222 HydrophobicContact CD2-CD2 4.2Å; F220-F222 HydrophobicContact CE1-CB 4.06Å; F220-F222 HydrophobicContact CE1-CD2 4.35Å; F222-Q224 PolarHBondContact O-N 2.8Å; F222-V225 PolarHBondContact O-N 2.79Å; F222-V225 VanDerWaalsContact O-N 3.16Å; F222-F226 HydrophobicContact CD2-CB 4.27Å; F222-F226 AromaticContact CD2-CD2 3.49Å; F222-F226 HydrophobicContact CD2-CD2 3.49Å; F222-F226 VanDerWaalsContact CD2-CD2 3.49Å; F222-F226 HydrophobicContact CD2-CE2 4.09Å; F222-F226 AromaticContact CD2-CG 3.98Å; F222-F226 HydrophobicContact CD2-CG 3.98Å; F222-F226 HydrophobicContact CE2-CB 3.91Å; F222-F226 HydrophobicContact CE2-CD1 4.15Å; F222-F226 AromaticContact CE2-CD2 3.51Å; F222-F226 HydrophobicContact CE2-CD2 3.51Å; F222-F226 HydrophobicContact CE2-CE2 4.08Å; F222-F226 AromaticContact CE2-CG 3.57Å; F222-F226 HydrophobicContact CE2-CG 3.57Å; F222-F226 HydrophobicContact CG-CD2 4.46Å; F222-F226 HydrophobicContact CZ-CB 4.07Å; F222-F226 HydrophobicContact CZ-CD2 4.48Å; F222-F226 HydrophobicContact CZ-CG 4.15Å; F222-F226 WeakPolarHBondContact O-CB 3.39Å; F222-F226 PolarHBondContact O-N 3.3Å |
| 223 | S | 96.9 | Very high | 94.3 | Very high | 10 Ų | 10 | 60.6 Ų | 60.6 | 7% | 0.07 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -54.8 | -37.2 | 179.5 | 67 | 0 | 0 | 0 | 0 | 112.7 | I193 H194 N221 S227 | I193-S223 VanDerWaalsContact O-CB 3.31Å; I193-S223 WeakPolarHBondContact O-CB 3.14Å; I193-S223 PolarHBondContact O-N 3.28Å; H194-S223 PolarHBondContact CE1-OG 3.12Å; H194-S223 PolarHBondContact ND1-OG 2.92Å; N221-S223 PolarHBondContact OD1-N 3Å; N221-S223 PolarHBondContact OD1-OG 3.14Å; S223-S227 WeakPolarHBondContact O-CB 3.41Å; S223-S227 PolarHBondContact O-N 3.09Å; S223-S227 VanDerWaalsContact O-N 3.1Å; S223-S227 PolarHBondContact O-OG 3.03Å |
| 224 | Q | 96.3 | Very high | 93.8 | Very high | 140 Ų | 140 | 58.9 Ų | 58.9 | 65% | 0.654 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -74.8 | -44.7 | 178.4 | -177.3 | -178.1 | -6.6 | 0 | 0 | 112 | N221 F222 | N221-Q224 HydrophobicContact CB-CB 4.01Å; N221-Q224 PolarHBondContact O-N 2.94Å; N221-Q224 WeakPolarHBondContact OD1-CB 3.24Å; N221-Q224 PolarHBondContact OD1-N 2.95Å; F222-Q224 PolarHBondContact O-N 2.8Å |
| 225 | V | 97.8 | Very high | 93.3 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.6 | -39.2 | -177.5 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | R99 A208 W213 W214 F220 N221 F222 | R99-V225 WeakPolarHBondContact CD-O 3.18Å; R99-V225 PolarHBondContact NE-O 3.46Å; A208-V225 HydrophobicContact CB-CG1 3.77Å; W213-V225 HydrophobicContact CB-CG1 3.88Å; W214-V225 HydrophobicContact CB-CG1 4.12Å; W214-V225 HydrophobicContact CB-CG2 4.06Å; W214-V225 HydrophobicContact CG-CG2 4.36Å; F220-V225 HydrophobicContact CD2-CG2 4.39Å; F220-V225 HydrophobicContact CE2-CB 4.31Å; F220-V225 HydrophobicContact CE2-CG1 4Å; F220-V225 HydrophobicContact CE2-CG2 4.11Å; F220-V225 HydrophobicContact CZ-CB 4.4Å; F220-V225 HydrophobicContact CZ-CG1 4.21Å; N221-V225 WeakPolarHBondContact O-CB 3.27Å; N221-V225 VanDerWaalsContact O-CG2 3.23Å; N221-V225 WeakPolarHBondContact O-CG2 3.42Å; N221-V225 PolarHBondContact O-N 3.33Å; F222-V225 PolarHBondContact O-N 2.79Å; F222-V225 VanDerWaalsContact O-N 3.16Å |
| 226 | F | 97.7 | Very high | 93 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -100.5 | -6.4 | -173.8 | -81.6 | -95.9 | 0 | 0 | 0 | 114.8 | T98 R99 E100 A171 L174 L191 L204 A208 W213 F220 F222 | T98-F226 CarbonylContact C-O 3.57Å; T98-F226 VanDerWaalsContact CA-O 3.27Å; T98-F226 WeakPolarHBondContact CA-O 3.1Å; R99-F226 PolarHBondContact N-O 2.92Å; E100-F226 HydrophobicContact CG-CD1 4.47Å; E100-F226 HydrophobicContact CG-CE1 4.05Å; A171-F226 HydrophobicContact CB-CD1 3.5Å; A171-F226 VanDerWaalsContact CB-CD1 3.5Å; A171-F226 HydrophobicContact CB-CE1 3.81Å; A171-F226 HydrophobicContact CB-CG 4.44Å; L174-F226 HydrophobicContact CD1-CE1 3.94Å; L174-F226 HydrophobicContact CD1-CZ 3.98Å; L191-F226 HydrophobicContact CD1-CB 3.95Å; L204-F226 HydrophobicContact CD1-CD2 4.41Å; L204-F226 HydrophobicContact CD1-CE1 4.21Å; L204-F226 HydrophobicContact CD1-CE2 3.58Å; L204-F226 HydrophobicContact CD1-CZ 3.45Å; L204-F226 VanDerWaalsContact CD1-CZ 3.45Å; L204-F226 HydrophobicContact CG-CE2 4.14Å; L204-F226 HydrophobicContact CG-CZ 4.29Å; A208-F226 HydrophobicContact CB-CE2 4.03Å; A208-F226 HydrophobicContact CB-CZ 4.27Å; W213-F226 HydrophobicContact CE3-CD1 4.37Å; W213-F226 HydrophobicContact CE3-CE1 4.01Å; W213-F226 HydrophobicContact CE3-CZ 4.14Å; W213-F226 HydrophobicContact CZ3-CD1 4.1Å; W213-F226 AromaticContact CZ3-CE1 3.6Å; W213-F226 HydrophobicContact CZ3-CE1 3.6Å; W213-F226 HydrophobicContact CZ3-CZ 4.08Å; F220-F226 HydrophobicContact CZ-CD2 4.38Å; F220-F226 AromaticContact CZ-CE2 3.95Å; F220-F226 HydrophobicContact CZ-CE2 3.95Å; F222-F226 HydrophobicContact CD2-CB 4.27Å; F222-F226 AromaticContact CD2-CD2 3.49Å; F222-F226 HydrophobicContact CD2-CD2 3.49Å; F222-F226 VanDerWaalsContact CD2-CD2 3.49Å; F222-F226 HydrophobicContact CD2-CE2 4.09Å; F222-F226 AromaticContact CD2-CG 3.98Å; F222-F226 HydrophobicContact CD2-CG 3.98Å; F222-F226 HydrophobicContact CE2-CB 3.91Å; F222-F226 HydrophobicContact CE2-CD1 4.15Å; F222-F226 AromaticContact CE2-CD2 3.51Å; F222-F226 HydrophobicContact CE2-CD2 3.51Å; F222-F226 HydrophobicContact CE2-CE2 4.08Å; F222-F226 AromaticContact CE2-CG 3.57Å; F222-F226 HydrophobicContact CE2-CG 3.57Å; F222-F226 HydrophobicContact CG-CD2 4.46Å; F222-F226 HydrophobicContact CZ-CB 4.07Å; F222-F226 HydrophobicContact CZ-CD2 4.48Å; F222-F226 HydrophobicContact CZ-CG 4.15Å; F222-F226 WeakPolarHBondContact O-CB 3.39Å; F222-F226 PolarHBondContact O-N 3.3Å |
| 227 | S | 95.6 | Very high | 92.6 | Very high | 39 Ų | 39 | 56.2 Ų | 56.2 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -65.9 | 133.3 | 172.1 | -77.7 | 0 | 0 | 0 | 0 | 111.3 | R99 S223 | R99-S227 VanDerWaalsContact CG-O 3.27Å; R99-S227 WeakPolarHBondContact CG-O 3.31Å; R99-S227 PolarHBondContact NE-O 3.08Å; S223-S227 WeakPolarHBondContact O-CB 3.41Å; S223-S227 PolarHBondContact O-N 3.09Å; S223-S227 VanDerWaalsContact O-N 3.1Å; S223-S227 PolarHBondContact O-OG 3.03Å |
| 228 | P | 93.5 | Very high | 92.4 | Very high | 25 Ų | 25 | 49.7 Ų | 49.7 | 16% | 0.162 | 28% | 0.281 | C | S | . | . | trans | -66.2 | 151.5 | 175.7 | 30 | -35.1 | 0 | 0 | 0 | 110.5 | W97 N230 P231 | W97-P228 WeakPolarHBondContact O-CD 3.03Å; P228-N230 VanDerWaalsContact C-N 3.29Å; P228-N230 PolarHBondContact O-N 2.64Å; P228-P231 HydrophobicContact CG-CB 3.91Å; P228-P231 WeakPolarHBondContact O-CD 3.35Å | ||
| 229 | E | 89.6 | Confident | 92.4 | Very high | 162 Ų | 162 | 50.7 Ų | 50.7 | 76% | 0.757 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -65.6 | -34.7 | 176.7 | -63.7 | -177.9 | 169.2 | 0 | 0 | 112.3 | P231 | E229-P231 VanDerWaalsContact C-CD 3.47Å; E229-P231 WeakPolarHBondContact O-CD 3.46Å |
| 230 | N | 89.2 | Confident | 92.2 | Very high | 145 Ų | 145 | 51.3 Ų | 51.3 | 78% | 0.775 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -120.9 | 73.8 | 178.8 | -63.8 | -63.2 | 0 | 0 | 0 | 109.6 | P228 | P228-N230 VanDerWaalsContact C-N 3.29Å; P228-N230 PolarHBondContact O-N 2.64Å |
| 231 | P | 89.4 | Confident | 91.8 | Very high | 34 Ų | 34 | 51.2 Ų | 51.2 | 22% | 0.221 | 27% | 0.266 | C | S | . | . | trans | -62 | 145.4 | 179.4 | 23.3 | -29.4 | 0 | 0 | 0 | 110.8 | P228 E229 M235 E236 | P228-P231 HydrophobicContact CG-CB 3.91Å; P228-P231 WeakPolarHBondContact O-CD 3.35Å; E229-P231 VanDerWaalsContact C-CD 3.47Å; E229-P231 WeakPolarHBondContact O-CD 3.46Å; P231-M235 HydrophobicContact CB-CB 4.37Å; P231-M235 HydrophobicContact CB-CG 4.35Å; P231-M235 HydrophobicContact CB-SD 4.03Å; P231-E236 HydrophobicContact CB-CG 4.43Å; P231-E236 HydrophobicContact CG-CG 3.85Å; P231-E236 WeakPolarHBondContact CG-OE1 3.24Å | ||
| 232 | P | 87.9 | Confident | 91.6 | Very high | 46 Ų | 46 | 52.3 Ų | 52.3 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | trans | -56.4 | 144.4 | 172.5 | -25.7 | 36 | 0 | 0 | 0 | 111.2 | W97 R234 M235 E236 | W97-P232 HydrophobicContact CB-CG 4.18Å; W97-P232 HydrophobicContact CD2-CG 3.74Å; W97-P232 HydrophobicContact CE3-CG 4.19Å; W97-P232 HydrophobicContact CG-CG 3.69Å; P232-R234 HydrophobicContact CB-CG 4.18Å; P232-R234 PolarHBondContact O-N 2.86Å; P232-M235 WeakPolarHBondContact O-CB 3.2Å; P232-M235 PolarHBondContact O-N 3.38Å; P232-E236 PolarHBondContact O-N 3.36Å | ||
| 233 | A | 87.7 | Confident | 91.5 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 44% | 0.438 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -51.1 | -33.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | M235 E236 L237 | A233-M235 PolarHBondContact O-N 3.29Å; A233-E236 PolarHBondContact O-N 3.29Å; A233-L237 WeakPolarHBondContact O-CB 3.13Å; A233-L237 VanDerWaalsContact O-CG 3.25Å; A233-L237 WeakPolarHBondContact O-CG 3.14Å; A233-L237 PolarHBondContact O-N 2.89Å |
| 234 | R | 85 | Confident | 91.3 | Very high | 17 Ų | 17 | 58.5 Ų | 58.5 | 6% | 0.064 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.8 | -35.8 | 177.2 | 70.5 | -177.9 | -58 | -152 | 4.7 | 114.3 | M6 W97 P232 L237 A238 | M6-R234 HydrophobicContact CB-CB 4.14Å; M6-R234 HydrophobicContact CE-CB 4.08Å; M6-R234 PolarHBondContact O-NE 3.16Å; M6-R234 PolarHBondContact O-NH2 2.72Å; W97-R234 VanDerWaalsContact CH2-CD 3.42Å; W97-R234 HydrophobicContact CH2-CG 4.02Å; W97-R234 HydrophobicContact CZ3-CG 3.87Å; P232-R234 HydrophobicContact CB-CG 4.18Å; P232-R234 PolarHBondContact O-N 2.86Å; R234-L237 PolarHBondContact O-N 3.36Å; R234-A238 WeakPolarHBondContact O-CB 3.27Å; R234-A238 PolarHBondContact O-N 2.92Å |
| 235 | M | 88.1 | Confident | 91.3 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.02 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.9 | -38 | 177 | -179.5 | 172.6 | 178 | 0 | 0 | 110.6 | W97 N189 Q190 L191 P231 P232 A233 A238 | W97-M235 HydrophobicContact CB-SD 4.24Å; W97-M235 HydrophobicContact CE3-CB 4.2Å; W97-M235 HydrophobicContact CE3-SD 4.38Å; W97-M235 WeakPolarHBondContact O-CE 3.45Å; N189-M235 WeakPolarHBondContact O-CA 3.47Å; N189-M235 WeakPolarHBondContact O-CG 3.5Å; Q190-M235 HydrophobicContact CB-CE 4.4Å; Q190-M235 HydrophobicContact CB-CG 4.24Å; L191-M235 HydrophobicContact CG-CE 4.25Å; P231-M235 HydrophobicContact CB-CB 4.37Å; P231-M235 HydrophobicContact CB-CG 4.35Å; P231-M235 HydrophobicContact CB-SD 4.03Å; P232-M235 WeakPolarHBondContact O-CB 3.2Å; P232-M235 PolarHBondContact O-N 3.38Å; A233-M235 PolarHBondContact O-N 3.29Å; M235-A238 WeakPolarHBondContact O-CB 3.27Å; M235-A238 PolarHBondContact O-N 2.73Å |
| 236 | E | 87.7 | Confident | 91.2 | Very high | 78 Ų | 78 | 52.8 Ų | 52.8 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 172.1 | -72.8 | -56.1 | 124.8 | 0 | 0 | 112.6 | P231 P232 A233 A238 K239 | P231-E236 HydrophobicContact CB-CG 4.43Å; P231-E236 HydrophobicContact CG-CG 3.85Å; P231-E236 WeakPolarHBondContact CG-OE1 3.24Å; P232-E236 PolarHBondContact O-N 3.36Å; A233-E236 PolarHBondContact O-N 3.29Å; E236-A238 VanDerWaalsContact C-N 3.3Å; E236-A238 PolarHBondContact O-N 3.32Å; E236-K239 WeakPolarHBondContact O-CB 3.29Å; E236-K239 PolarHBondContact O-N 2.59Å; E236-K239 WeakPolarHBondContact OE1-CE 3.44Å; E236-K239 IonicContact OE1-NZ 3.57Å; E236-K239 PolarHBondContact OE1-NZ 3.47Å; E236-K239 IonicContact OE2-NZ 2.62Å; E236-K239 PolarHBondContact OE2-NZ 3.33Å |
| 237 | L | 86 | Confident | 91.2 | Very high | 33 Ų | 33 | 57.2 Ų | 57.2 | 17% | 0.173 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68 | -31.6 | 175.8 | -70.3 | 169 | 0 | 0 | 0 | 112.1 | Q3 P5 A233 R234 K239 K240 | Q3-L237 HydrophobicContact CB-CD1 4.31Å; P5-L237 HydrophobicContact CB-CB 3.95Å; A233-L237 WeakPolarHBondContact O-CB 3.13Å; A233-L237 VanDerWaalsContact O-CG 3.25Å; A233-L237 WeakPolarHBondContact O-CG 3.14Å; A233-L237 PolarHBondContact O-N 2.89Å; R234-L237 PolarHBondContact O-N 3.36Å; L237-K239 PolarHBondContact O-N 3.19Å; L237-K240 PolarHBondContact O-N 3.33Å |
| 238 | A | 90.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.2 | -28.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S7 N189 R234 M235 E236 K240 R241 Y242 | S7-A238 WeakPolarHBondContact OG-CB 3.26Å; N189-A238 HydrophobicContact CB-CB 3.82Å; N189-A238 WeakPolarHBondContact O-CB 3.41Å; R234-A238 WeakPolarHBondContact O-CB 3.27Å; R234-A238 PolarHBondContact O-N 2.92Å; M235-A238 WeakPolarHBondContact O-CB 3.27Å; M235-A238 PolarHBondContact O-N 2.73Å; E236-A238 VanDerWaalsContact C-N 3.3Å; E236-A238 PolarHBondContact O-N 3.32Å; A238-K240 PolarHBondContact O-N 3.02Å; A238-R241 PolarHBondContact O-N 3.2Å; A238-R241 VanDerWaalsContact O-N 3.15Å; A238-Y242 WeakPolarHBondContact O-CB 3.41Å; A238-Y242 PolarHBondContact O-N 2.62Å |
| 239 | K | 91.4 | Very high | 91.4 | Very high | 92 Ų | 92 | 55.9 Ų | 55.9 | 40% | 0.4 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -55.5 | -39.2 | 173.3 | -73.3 | 168.5 | -176.7 | 174.6 | 0 | 113 | E236 L237 K243 | E236-K239 WeakPolarHBondContact O-CB 3.29Å; E236-K239 PolarHBondContact O-N 2.59Å; E236-K239 WeakPolarHBondContact OE1-CE 3.44Å; E236-K239 IonicContact OE1-NZ 3.57Å; E236-K239 PolarHBondContact OE1-NZ 3.47Å; E236-K239 IonicContact OE2-NZ 2.62Å; E236-K239 PolarHBondContact OE2-NZ 3.33Å; L237-K239 PolarHBondContact O-N 3.19Å; K239-K243 WeakPolarHBondContact O-CB 3.33Å; K239-K243 PolarHBondContact O-N 3.46Å; K239-K243 VanDerWaalsContact O-N 3.11Å |
| 240 | K | 90.8 | Very high | 91.7 | Very high | 157 Ų | 157 | 53.8 Ų | 53.8 | 68% | 0.683 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -70.8 | -41.6 | 178.6 | -66.4 | -178 | -178.2 | 177.9 | 0 | 111.4 | L237 A238 K243 G244 | L237-K240 PolarHBondContact O-N 3.33Å; A238-K240 PolarHBondContact O-N 3.02Å; K240-K243 PolarHBondContact O-N 2.95Å; K240-G244 PolarHBondContact O-N 3.16Å |
| 241 | R | 90.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.2 | -46.3 | 175.9 | -83.1 | -178.2 | 63.8 | 159.9 | -6 | 111.9 | P5 S7 D9 D30 A238 K243 G244 G245 G271 I272 | P5-R241 HydrophobicContact CB-CG 4.3Å; P5-R241 HydrophobicContact CG-CG 4.49Å; S7-R241 PolarHBondContact O-NH1 2.9Å; S7-R241 PolarHBondContact O-NH2 3.46Å; D9-R241 IonicContact OD1-NE 2.64Å; D9-R241 IonicContact OD2-CZ 2.84Å; D9-R241 IonicContact OD2-NE 2.8Å; D9-R241 PolarHBondContact OD2-NE 3.04Å; D9-R241 IonicContact OD2-NH2 3.74Å; D9-R241 PolarHBondContact OD2-NH2 2.86Å; D30-R241 IonicContact OD2-CZ 3.26Å; D30-R241 IonicContact OD2-NH1 3.35Å; D30-R241 PolarHBondContact OD2-NH1 2.76Å; D30-R241 IonicContact OD2-NH2 2.79Å; D30-R241 PolarHBondContact OD2-NH2 3.3Å; A238-R241 PolarHBondContact O-N 3.2Å; A238-R241 VanDerWaalsContact O-N 3.15Å; R241-K243 VanDerWaalsContact C-N 3.31Å; R241-K243 PolarHBondContact O-N 3.2Å; R241-G244 PolarHBondContact O-N 2.96Å; R241-G245 PolarHBondContact O-N 2.84Å; R241-G271 PolarHBondContact NE-O 3.2Å; R241-G271 VanDerWaalsContact NE-O 3.16Å; R241-G271 PolarHBondContact NH1-O 2.84Å; R241-I272 PolarHBondContact NH2-O 3.35Å; R241-I272 VanDerWaalsContact NH2-O 3.13Å |
| 242 | Y | 94.4 | Very high | 92.5 | Very high | 52 Ų | 52 | 54.7 Ų | 54.7 | 20% | 0.204 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -52.4 | -52.1 | 173.6 | 174.7 | -97.2 | 0 | 0 | 0 | 111 | N186 S188 T192 A238 G245 T246 | N186-Y242 PolarHBondContact ND2-O 3.06Å; N186-Y242 VanDerWaalsContact O-CE2 3.29Å; N186-Y242 WeakPolarHBondContact O-CE2 3.27Å; S188-Y242 VanDerWaalsContact OG-CA 3.26Å; S188-Y242 WeakPolarHBondContact OG-CA 3.48Å; S188-Y242 WeakPolarHBondContact OG-CB 3.09Å; S188-Y242 PolarHBondContact OG-N 2.84Å; T192-Y242 HydrophobicContact CG2-CD2 4.03Å; T192-Y242 HydrophobicContact CG2-CE2 3.68Å; A238-Y242 WeakPolarHBondContact O-CB 3.41Å; A238-Y242 PolarHBondContact O-N 2.62Å; Y242-G245 PolarHBondContact O-N 2.94Å; Y242-T246 WeakPolarHBondContact O-CB 3.46Å; Y242-T246 PolarHBondContact O-N 3.08Å; Y242-T246 PolarHBondContact O-OG1 2.67Å |
| 243 | K | 94.5 | Very high | 92.9 | Very high | 127 Ų | 127 | 56.6 Ų | 56.6 | 55% | 0.552 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.8 | -47.5 | 178.3 | -179.6 | 176.8 | 171.3 | 177.8 | 0 | 112.3 | K239 K240 R241 G245 T246 E247 | K239-K243 WeakPolarHBondContact O-CB 3.33Å; K239-K243 PolarHBondContact O-N 3.46Å; K239-K243 VanDerWaalsContact O-N 3.11Å; K240-K243 PolarHBondContact O-N 2.95Å; R241-K243 VanDerWaalsContact C-N 3.31Å; R241-K243 PolarHBondContact O-N 3.2Å; K243-G245 VanDerWaalsContact C-N 3.34Å; K243-G245 PolarHBondContact O-N 2.86Å; K243-T246 PolarHBondContact O-N 3.14Å; K243-E247 WeakPolarHBondContact CE-OE1 3.44Å; K243-E247 IonicContact NZ-OE1 3.06Å; K243-E247 WeakPolarHBondContact O-CG 3.33Å; K243-E247 PolarHBondContact O-N 2.84Å |
| 244 | G | 94.1 | Very high | 93.4 | Very high | 13 Ų | 13 | 56.1 Ų | 56.1 | 13% | 0.134 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K240 R241 E247 L248 | K240-G244 PolarHBondContact O-N 3.16Å; R241-G244 PolarHBondContact O-N 2.96Å; G244-E247 PolarHBondContact O-N 2.72Å; G244-L248 WeakPolarHBondContact O-CB 3.37Å; G244-L248 WeakPolarHBondContact O-CG 3.33Å; G244-L248 PolarHBondContact O-N 3.25Å |
| 245 | G | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R241 Y242 K243 L248 L249 | R241-G245 PolarHBondContact O-N 2.84Å; Y242-G245 PolarHBondContact O-N 2.94Å; K243-G245 VanDerWaalsContact C-N 3.34Å; K243-G245 PolarHBondContact O-N 2.86Å; G245-L248 PolarHBondContact O-N 2.79Å; G245-L249 VanDerWaalsContact O-CB 3.29Å; G245-L249 WeakPolarHBondContact O-CB 3.21Å; G245-L249 PolarHBondContact O-N 3.35Å |
| 246 | T | 96.4 | Very high | 94.5 | Very high | 29 Ų | 29 | 57.5 Ų | 57.5 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 172.4 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | N186 Y242 K243 L248 L249 Q250 | N186-T246 WeakPolarHBondContact OD1-CA 3.46Å; N186-T246 PolarHBondContact OD1-OG1 2.91Å; Y242-T246 WeakPolarHBondContact O-CB 3.46Å; Y242-T246 PolarHBondContact O-N 3.08Å; Y242-T246 PolarHBondContact O-OG1 2.67Å; K243-T246 PolarHBondContact O-N 3.14Å; T246-L248 PolarHBondContact O-N 2.69Å; T246-L249 PolarHBondContact O-N 3.19Å; T246-Q250 HydrophobicContact CG2-CG 4.2Å; T246-Q250 VanDerWaalsContact O-CB 3.26Å; T246-Q250 WeakPolarHBondContact O-CB 3.26Å; T246-Q250 VanDerWaalsContact O-CG 3.24Å; T246-Q250 WeakPolarHBondContact O-CG 3.35Å; T246-Q250 PolarHBondContact O-N 3.44Å |
| 247 | E | 96.7 | Very high | 95 | Very high | 94 Ų | 94 | 54.5 Ų | 54.5 | 44% | 0.439 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 179.3 | -73.8 | 170.9 | 174.5 | 0 | 0 | 112.1 | K243 G244 Q251 | K243-E247 WeakPolarHBondContact CE-OE1 3.44Å; K243-E247 IonicContact NZ-OE1 3.06Å; K243-E247 WeakPolarHBondContact O-CG 3.33Å; K243-E247 PolarHBondContact O-N 2.84Å; G244-E247 PolarHBondContact O-N 2.72Å; E247-Q251 VanDerWaalsContact O-CG 3.28Å; E247-Q251 WeakPolarHBondContact O-CG 3.19Å; E247-Q251 PolarHBondContact O-N 2.96Å; E247-Q251 PolarHBondContact O-NE2 2.97Å |
| 248 | L | 96.3 | Very high | 95.6 | Very high | 33 Ų | 33 | 53.3 Ų | 53.3 | 17% | 0.173 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66 | -46.3 | 175.7 | -76 | 170.2 | 0 | 0 | 0 | 111.8 | G244 G245 T246 Q251 H252 I264 D267 I272 | G244-L248 WeakPolarHBondContact O-CB 3.37Å; G244-L248 WeakPolarHBondContact O-CG 3.33Å; G244-L248 PolarHBondContact O-N 3.25Å; G245-L248 PolarHBondContact O-N 2.79Å; T246-L248 PolarHBondContact O-N 2.69Å; L248-Q251 WeakPolarHBondContact O-CB 3.32Å; L248-Q251 PolarHBondContact O-N 3.43Å; L248-H252 PolarHBondContact O-CD2 2.97Å; L248-I264 HydrophobicContact CB-CG1 4.36Å; L248-D267 HydrophobicContact CD1-CB 4.08Å; L248-I272 HydrophobicContact CD1-CD1 3.58Å |
| 249 | L | 96.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.5 | -38.9 | -178.8 | -168.1 | 64.4 | 0 | 0 | 0 | 111.5 | F11 V184 G245 T246 Q251 H252 D253 V256 M261 I264 | F11-L249 HydrophobicContact CB-CD2 4.39Å; F11-L249 HydrophobicContact CD1-CD2 4.09Å; V184-L249 HydrophobicContact CB-CD2 3.58Å; V184-L249 HydrophobicContact CB-CG 3.7Å; V184-L249 HydrophobicContact CG1-CD1 4.38Å; V184-L249 HydrophobicContact CG1-CD2 4.2Å; V184-L249 HydrophobicContact CG1-CG 3.93Å; V184-L249 HydrophobicContact CG2-CD2 4.33Å; V184-L249 HydrophobicContact CG2-CG 4.21Å; G245-L249 VanDerWaalsContact O-CB 3.29Å; G245-L249 WeakPolarHBondContact O-CB 3.21Å; G245-L249 PolarHBondContact O-N 3.35Å; T246-L249 PolarHBondContact O-N 3.19Å; L249-Q251 VanDerWaalsContact C-N 3.3Å; L249-Q251 PolarHBondContact O-N 3.04Å; L249-H252 CarbonylContact O-C 3.46Å; L249-H252 PolarHBondContact O-N 2.73Å; L249-H252 VanDerWaalsContact O-N 3.1Å; L249-D253 PolarHBondContact O-N 3.2Å; L249-V256 HydrophobicContact CD1-CG2 4.13Å; L249-M261 HydrophobicContact CD1-CE 4.04Å; L249-I264 HydrophobicContact CB-CD1 4.37Å; L249-I264 HydrophobicContact CD1-CD1 3.69Å |
| 250 | Q | 96.9 | Very high | 96.3 | Very high | 118 Ų | 118 | 53.7 Ų | 53.7 | 55% | 0.551 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -65.1 | -28.8 | 176.7 | -78.3 | -179.3 | -2.1 | 0 | 0 | 113.7 | V184 T246 H252 D253 | V184-Q250 HydrophobicContact CG2-CG 4.36Å; T246-Q250 HydrophobicContact CG2-CG 4.2Å; T246-Q250 VanDerWaalsContact O-CB 3.26Å; T246-Q250 WeakPolarHBondContact O-CB 3.26Å; T246-Q250 VanDerWaalsContact O-CG 3.24Å; T246-Q250 WeakPolarHBondContact O-CG 3.35Å; T246-Q250 PolarHBondContact O-N 3.44Å; Q250-H252 PolarHBondContact O-N 2.87Å; Q250-H252 VanDerWaalsContact O-N 3.16Å; Q250-D253 PolarHBondContact O-N 2.75Å |
| 251 | Q | 97.3 | Very high | 96.7 | Very high | 135 Ų | 135 | 46.2 Ų | 46.2 | 63% | 0.631 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22 | 173.8 | -74.7 | 164.3 | 42.1 | 0 | 0 | 112.7 | E247 L248 L249 | E247-Q251 VanDerWaalsContact O-CG 3.28Å; E247-Q251 WeakPolarHBondContact O-CG 3.19Å; E247-Q251 PolarHBondContact O-N 2.96Å; E247-Q251 PolarHBondContact O-NE2 2.97Å; L248-Q251 WeakPolarHBondContact O-CB 3.32Å; L248-Q251 PolarHBondContact O-N 3.43Å; L249-Q251 VanDerWaalsContact C-N 3.3Å; L249-Q251 PolarHBondContact O-N 3.04Å |
| 252 | H | 97.6 | Very high | 97 | Very high | 63 Ų | 63 | 46.1 Ų | 46.1 | 29% | 0.292 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 7.9 | -178 | -65.2 | -76.4 | 0 | 0 | 0 | 113.4 | L248 L249 Q250 G254 S255 V256 V260 | L248-H252 PolarHBondContact O-CD2 2.97Å; L249-H252 CarbonylContact O-C 3.46Å; L249-H252 PolarHBondContact O-N 2.73Å; L249-H252 VanDerWaalsContact O-N 3.1Å; Q250-H252 PolarHBondContact O-N 2.87Å; Q250-H252 VanDerWaalsContact O-N 3.16Å; H252-G254 PolarHBondContact O-N 2.92Å; H252-S255 WeakPolarHBondContact CA-OG 3.3Å; H252-S255 CarbonylContact O-C 3.51Å; H252-S255 WeakPolarHBondContact O-CA 3.4Å; H252-S255 PolarHBondContact O-N 2.8Å; H252-S255 PolarHBondContact O-OG 3.48Å; H252-V256 HydrophobicContact CB-CG2 4Å; H252-V256 WeakPolarHBondContact O-CG2 3.46Å; H252-V256 PolarHBondContact O-N 3.12Å; H252-V256 VanDerWaalsContact O-N 3.09Å; H252-V260 HydrophobicContact CB-CG1 3.67Å; H252-V260 VanDerWaalsContact CG-CG1 3.41Å |
| 253 | D | 96.9 | Very high | 97.2 | Very high | 87 Ų | 87 | 47.9 Ų | 47.9 | 47% | 0.465 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 123.5 | 177.6 | -168.3 | 13.7 | 0 | 0 | 0 | 110.5 | G17 V184 L249 Q250 | G17-D253 WeakPolarHBondContact CA-OD1 3.38Å; V184-D253 HydrophobicContact CG1-CB 4.36Å; V184-D253 HydrophobicContact CG2-CB 4.14Å; L249-D253 PolarHBondContact O-N 3.2Å; Q250-D253 PolarHBondContact O-N 2.75Å |
| 254 | G | 97.6 | Very high | 97.4 | Very high | 42 Ų | 42 | 42.1 Ų | 42.1 | 43% | 0.433 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | -5.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | P16 G17 H252 | P16-G254 VanDerWaalsContact O-CA 3.32Å; P16-G254 WeakPolarHBondContact O-CA 3.19Å; G17-G254 CarbonylContact O-C 3.54Å; G17-G254 WeakPolarHBondContact O-CA 3.26Å; G17-G254 PolarHBondContact O-N 3.35Å; H252-G254 PolarHBondContact O-N 2.92Å |
| 255 | S | 97.8 | Very high | 97.6 | Very high | 51 Ų | 51 | 41.5 Ų | 41.5 | 36% | 0.357 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -143.4 | 11.1 | -173 | 66.6 | 0 | 0 | 0 | 0 | 113.9 | G17 H252 T257 | G17-S255 PolarHBondContact O-N 2.64Å; H252-S255 WeakPolarHBondContact CA-OG 3.3Å; H252-S255 CarbonylContact O-C 3.51Å; H252-S255 WeakPolarHBondContact O-CA 3.4Å; H252-S255 PolarHBondContact O-N 2.8Å; H252-S255 PolarHBondContact O-OG 3.48Å; S255-T257 PolarHBondContact O-N 3.25Å |
| 256 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -63.5 | 130.9 | 179.9 | -176.5 | 0 | 0 | 0 | 0 | 109.5 | G17 R19 I24 V184 L249 H252 V260 M261 | G17-V256 WeakPolarHBondContact O-CG2 3.29Å; G17-V256 PolarHBondContact O-N 3.49Å; R19-V256 PolarHBondContact N-O 3.45Å; I24-V256 HydrophobicContact CB-CG1 4.45Å; I24-V256 HydrophobicContact CD1-CB 4.39Å; I24-V256 HydrophobicContact CD1-CG1 3.94Å; I24-V256 WeakPolarHBondContact CD1-O 3.38Å; I24-V256 HydrophobicContact CG2-CG1 4.38Å; V184-V256 HydrophobicContact CG1-CG2 4.1Å; L249-V256 HydrophobicContact CD1-CG2 4.13Å; H252-V256 HydrophobicContact CB-CG2 4Å; H252-V256 WeakPolarHBondContact O-CG2 3.46Å; H252-V256 PolarHBondContact O-N 3.12Å; H252-V256 VanDerWaalsContact O-N 3.09Å; V256-V260 HydrophobicContact CG1-CG1 4.44Å; V256-M261 HydrophobicContact CG1-CE 4.16Å |
| 257 | T | 98.2 | Very high | 97.7 | Very high | 14 Ų | 14 | 43.6 Ų | 43.6 | 9% | 0.086 | 24% | 0.235 | C | C | . | . | trans | -125.2 | 174.5 | 171.2 | 76.3 | 0 | 0 | 0 | 0 | 109.5 | R19 I24 S255 E259 V260 M261 | R19-T257 HydrophobicContact CB-CG2 3.99Å; R19-T257 VanDerWaalsContact CZ-CG2 3.46Å; I24-T257 VanDerWaalsContact CD1-CA 3.49Å; S255-T257 PolarHBondContact O-N 3.25Å; T257-E259 VanDerWaalsContact C-N 3.26Å; T257-E259 WeakPolarHBondContact CB-OE2 3.05Å; T257-E259 PolarHBondContact O-N 2.81Å; T257-E259 PolarHBondContact OG1-N 3.46Å; T257-E259 PolarHBondContact OG1-OE2 3.19Å; T257-V260 PolarHBondContact O-N 2.96Å; T257-V260 PolarHBondContact OG1-N 2.97Å; T257-M261 PolarHBondContact O-N 3.07Å | ||
| 258 | A | 98.3 | Very high | 97.6 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 7% | 0.074 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.3 | -41.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | M261 M262 V286 V288 F300 L387 | A258-M261 WeakPolarHBondContact O-CB 3.45Å; A258-M261 PolarHBondContact O-N 3.29Å; A258-M262 HydrophobicContact CB-CE 4.47Å; A258-M262 VanDerWaalsContact O-CG 3.25Å; A258-M262 WeakPolarHBondContact O-CG 3.39Å; A258-M262 PolarHBondContact O-N 2.91Å; A258-V286 HydrophobicContact CB-CG1 4.15Å; A258-V288 HydrophobicContact CB-CG2 3.77Å; A258-F300 HydrophobicContact CB-CE2 4.44Å; A258-L387 HydrophobicContact CB-CD2 4.18Å |
| 259 | E | 98.2 | Very high | 97.3 | Very high | 76 Ų | 76 | 47 Ų | 47 | 36% | 0.355 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.7 | -39.6 | -179.6 | -55.1 | 96 | 138.2 | 0 | 0 | 112.6 | T257 M261 M262 T263 L387 | T257-E259 VanDerWaalsContact C-N 3.26Å; T257-E259 WeakPolarHBondContact CB-OE2 3.05Å; T257-E259 PolarHBondContact O-N 2.81Å; T257-E259 PolarHBondContact OG1-N 3.46Å; T257-E259 PolarHBondContact OG1-OE2 3.19Å; E259-M261 VanDerWaalsContact C-N 3.34Å; E259-M262 PolarHBondContact O-N 3.37Å; E259-T263 WeakPolarHBondContact O-CB 3.43Å; E259-T263 PolarHBondContact O-N 2.67Å; E259-T263 PolarHBondContact O-OG1 3.02Å; E259-L387 HydrophobicContact CG-CD1 3.62Å; E259-L387 HydrophobicContact CG-CD2 4.15Å; E259-L387 HydrophobicContact CG-CG 4.38Å |
| 260 | V | 98.4 | Very high | 97 | Very high | 24 Ų | 24 | 48.3 Ų | 48.3 | 15% | 0.145 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 171.2 | 171.1 | 0 | 0 | 0 | 0 | 109.6 | H252 V256 T257 M262 T263 I264 | H252-V260 HydrophobicContact CB-CG1 3.67Å; H252-V260 VanDerWaalsContact CG-CG1 3.41Å; V256-V260 HydrophobicContact CG1-CG1 4.44Å; T257-V260 PolarHBondContact O-N 2.96Å; T257-V260 PolarHBondContact OG1-N 2.97Å; V260-M262 PolarHBondContact O-N 2.74Å; V260-T263 WeakPolarHBondContact O-CB 3.33Å; V260-T263 PolarHBondContact O-N 3.27Å; V260-T263 VanDerWaalsContact O-N 3.11Å; V260-I264 HydrophobicContact CG1-CD1 4.14Å; V260-I264 WeakPolarHBondContact O-CG1 3.39Å; V260-I264 PolarHBondContact O-N 3.4Å |
| 261 | M | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 178.8 | -170.1 | 61.8 | 74.7 | 0 | 0 | 111.9 | F11 I24 L249 V256 T257 A258 E259 T263 I264 L265 V286 | F11-M261 HydrophobicContact CB-CE 3.72Å; F11-M261 HydrophobicContact CB-SD 3.56Å; F11-M261 VanDerWaalsContact CB-SD 3.56Å; F11-M261 HydrophobicContact CD2-SD 4.42Å; F11-M261 HydrophobicContact CG-SD 4.1Å; I24-M261 HydrophobicContact CG2-CB 3.94Å; I24-M261 HydrophobicContact CG2-CE 3.98Å; I24-M261 HydrophobicContact CG2-CG 4.17Å; L249-M261 HydrophobicContact CD1-CE 4.04Å; V256-M261 HydrophobicContact CG1-CE 4.16Å; T257-M261 PolarHBondContact O-N 3.07Å; A258-M261 WeakPolarHBondContact O-CB 3.45Å; A258-M261 PolarHBondContact O-N 3.29Å; E259-M261 VanDerWaalsContact C-N 3.34Å; M261-T263 VanDerWaalsContact C-N 3.26Å; M261-T263 PolarHBondContact O-N 3.29Å; M261-I264 PolarHBondContact O-N 2.57Å; M261-L265 HydrophobicContact CG-CD1 4.36Å; M261-L265 WeakPolarHBondContact O-CG 3.45Å; M261-L265 PolarHBondContact O-N 3.45Å; M261-V286 HydrophobicContact CB-CG1 4.12Å; M261-V286 HydrophobicContact CB-CG2 4.24Å; M261-V286 HydrophobicContact CG-CG1 4.15Å; M261-V286 HydrophobicContact CG-CG2 3.87Å |
| 262 | M | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -37.6 | 174 | -68.9 | 175.9 | -173 | 0 | 0 | 111.7 | A258 E259 V260 L265 R266 V286 F300 F312 L387 | A258-M262 HydrophobicContact CB-CE 4.47Å; A258-M262 VanDerWaalsContact O-CG 3.25Å; A258-M262 WeakPolarHBondContact O-CG 3.39Å; A258-M262 PolarHBondContact O-N 2.91Å; E259-M262 PolarHBondContact O-N 3.37Å; V260-M262 PolarHBondContact O-N 2.74Å; M262-L265 PolarHBondContact O-N 2.9Å; M262-R266 WeakPolarHBondContact O-CB 3.45Å; M262-R266 WeakPolarHBondContact O-CD 3.18Å; M262-R266 WeakPolarHBondContact O-CG 3.37Å; M262-R266 PolarHBondContact O-N 2.67Å; M262-R266 VanDerWaalsContact O-N 3.1Å; M262-V286 HydrophobicContact CE-CB 4.35Å; M262-V286 HydrophobicContact CG-CB 4.34Å; M262-V286 HydrophobicContact CG-CG2 3.71Å; M262-F300 HydrophobicContact CE-CB 3.84Å; M262-F300 HydrophobicContact CE-CD1 3.56Å; M262-F300 HydrophobicContact CE-CD2 3.9Å; M262-F300 HydrophobicContact CE-CE1 3.99Å; M262-F300 HydrophobicContact CE-CE2 4.32Å; M262-F300 HydrophobicContact CE-CG 3.49Å; M262-F300 VanDerWaalsContact CE-CG 3.49Å; M262-F300 HydrophobicContact CE-CZ 4.35Å; M262-F312 HydrophobicContact CB-CD2 3.89Å; M262-F312 HydrophobicContact CB-CE2 3.71Å; M262-F312 HydrophobicContact CB-CZ 4.35Å; M262-F312 HydrophobicContact CE-CB 3.52Å; M262-F312 HydrophobicContact CE-CD1 4.31Å; M262-F312 HydrophobicContact CE-CD2 4.31Å; M262-F312 HydrophobicContact CE-CG 3.81Å; M262-F312 HydrophobicContact CG-CB 4.44Å; M262-F312 HydrophobicContact CG-CD1 4.24Å; M262-F312 HydrophobicContact CG-CD2 3.47Å; M262-F312 VanDerWaalsContact CG-CD2 3.47Å; M262-F312 HydrophobicContact CG-CE1 4.37Å; M262-F312 HydrophobicContact CG-CE2 3.64Å; M262-F312 HydrophobicContact CG-CG 3.8Å; M262-F312 HydrophobicContact CG-CZ 4.09Å; M262-F312 HydrophobicContact SD-CB 3.75Å; M262-F312 HydrophobicContact SD-CD2 3.63Å; M262-F312 HydrophobicContact SD-CE2 4.39Å; M262-F312 HydrophobicContact SD-CG 3.76Å; M262-L387 HydrophobicContact CE-CD2 3.91Å; M262-L387 HydrophobicContact SD-CD1 4.18Å; M262-L387 HydrophobicContact SD-CD2 4.4Å |
| 263 | T | 98.3 | Very high | 96.5 | Very high | 89 Ų | 89 | 34 Ų | 34 | 55% | 0.546 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.7 | -44.2 | 176.3 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | E259 V260 M261 L265 R266 D267 | E259-T263 WeakPolarHBondContact O-CB 3.43Å; E259-T263 PolarHBondContact O-N 2.67Å; E259-T263 PolarHBondContact O-OG1 3.02Å; V260-T263 WeakPolarHBondContact O-CB 3.33Å; V260-T263 PolarHBondContact O-N 3.27Å; V260-T263 VanDerWaalsContact O-N 3.11Å; M261-T263 VanDerWaalsContact C-N 3.26Å; M261-T263 PolarHBondContact O-N 3.29Å; T263-L265 PolarHBondContact O-N 2.89Å; T263-R266 WeakPolarHBondContact O-CB 3.25Å; T263-R266 PolarHBondContact O-N 2.68Å; T263-R266 VanDerWaalsContact O-N 3.15Å; T263-D267 PolarHBondContact O-N 3Å |
| 264 | I | 98.2 | Very high | 96.2 | Very high | 6 Ų | 6 | 30 Ų | 30 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.8 | -46.9 | 175.2 | -66.9 | 170.4 | 0 | 0 | 0 | 110.4 | F11 L248 L249 V260 M261 R266 D267 I272 | F11-I264 HydrophobicContact CD1-CG2 4.31Å; F11-I264 HydrophobicContact CE1-CG2 3.94Å; F11-I264 HydrophobicContact CE2-CG2 4.25Å; F11-I264 HydrophobicContact CZ-CG2 3.92Å; L248-I264 HydrophobicContact CB-CG1 4.36Å; L249-I264 HydrophobicContact CB-CD1 4.37Å; L249-I264 HydrophobicContact CD1-CD1 3.69Å; V260-I264 HydrophobicContact CG1-CD1 4.14Å; V260-I264 WeakPolarHBondContact O-CG1 3.39Å; V260-I264 PolarHBondContact O-N 3.4Å; M261-I264 PolarHBondContact O-N 2.57Å; I264-R266 PolarHBondContact O-N 3.38Å; I264-D267 WeakPolarHBondContact O-CB 3.43Å; I264-D267 PolarHBondContact O-N 3.35Å; I264-I272 HydrophobicContact CG2-CD1 3.81Å; I264-I272 WeakPolarHBondContact O-CG2 3.29Å |
| 265 | L | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66 | -18.4 | 179.3 | -65.6 | 177 | 0 | 0 | 0 | 113.4 | F11 N28 M261 M262 T263 I272 C273 S284 M285 V286 P307 F312 | F11-L265 HydrophobicContact CD2-CD2 3.77Å; F11-L265 HydrophobicContact CE2-CD2 3.74Å; N28-L265 HydrophobicContact CB-CD2 4.31Å; N28-L265 PolarHBondContact ND2-O 3.21Å; M261-L265 HydrophobicContact CG-CD1 4.36Å; M261-L265 WeakPolarHBondContact O-CG 3.45Å; M261-L265 PolarHBondContact O-N 3.45Å; M262-L265 PolarHBondContact O-N 2.9Å; T263-L265 PolarHBondContact O-N 2.89Å; L265-I272 HydrophobicContact CD2-CG2 4.38Å; L265-C273 WeakPolarHBondContact O-CB 3.44Å; L265-S284 WeakPolarHBondContact CD1-OG 3.17Å; L265-M285 WeakPolarHBondContact CD1-O 3.46Å; L265-V286 HydrophobicContact CD1-CG2 3.5Å; L265-V286 VanDerWaalsContact CD1-CG2 3.5Å; L265-P307 WeakPolarHBondContact O-CG 3.47Å; L265-F312 HydrophobicContact CB-CZ 4.41Å; L265-F312 HydrophobicContact CD1-CZ 4.27Å |
| 266 | R | 97.8 | Very high | 95.2 | Very high | 30 Ų | 30 | 30.2 Ų | 30.2 | 11% | 0.113 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -8 | 174.7 | -75.4 | 173.8 | 167.8 | 135.5 | 5.3 | 114.1 | M262 T263 I264 K268 C273 P307 S310 F312 E383 | M262-R266 WeakPolarHBondContact O-CB 3.45Å; M262-R266 WeakPolarHBondContact O-CD 3.18Å; M262-R266 WeakPolarHBondContact O-CG 3.37Å; M262-R266 PolarHBondContact O-N 2.67Å; M262-R266 VanDerWaalsContact O-N 3.1Å; T263-R266 WeakPolarHBondContact O-CB 3.25Å; T263-R266 PolarHBondContact O-N 2.68Å; T263-R266 VanDerWaalsContact O-N 3.15Å; I264-R266 PolarHBondContact O-N 3.38Å; R266-K268 PolarHBondContact O-N 2.82Å; R266-C273 WeakPolarHBondContact O-CB 3.31Å; R266-P307 HydrophobicContact CG-CB 4.13Å; R266-P307 VanDerWaalsContact CG-O 3.31Å; R266-P307 WeakPolarHBondContact CG-O 3.49Å; R266-P307 PolarHBondContact NE-O 2.82Å; R266-S310 PolarHBondContact NH2-O 3.17Å; R266-F312 VanDerWaalsContact NH2-CD2 3.3Å; R266-E383 IonicContact CZ-OE1 3.81Å; R266-E383 IonicContact CZ-OE2 2.74Å; R266-E383 IonicContact NH1-OE1 3.15Å; R266-E383 PolarHBondContact NH1-OE1 2.74Å; R266-E383 IonicContact NH1-OE2 3.35Å; R266-E383 IonicContact NH2-OE1 3.29Å; R266-E383 PolarHBondContact NH2-OE1 3.28Å; R266-E383 IonicContact NH2-OE2 2.69Å; R266-E383 PolarHBondContact NH2-OE2 3.37Å |
| 267 | D | 96.6 | Very high | 94.3 | Very high | 42 Ų | 42 | 33 Ų | 33 | 23% | 0.225 | 20% | 0.203 | C | C | . | . | trans | -73.5 | 100.9 | -170.5 | -169.8 | -93.8 | 0 | 0 | 0 | 111.8 | L248 T263 I264 S270 I272 C273 | L248-D267 HydrophobicContact CD1-CB 4.08Å; T263-D267 PolarHBondContact O-N 3Å; I264-D267 WeakPolarHBondContact O-CB 3.43Å; I264-D267 PolarHBondContact O-N 3.35Å; D267-S270 PolarHBondContact O-OG 3.36Å; D267-S270 WeakPolarHBondContact OD1-CA 3.3Å; D267-S270 WeakPolarHBondContact OD1-CB 3.15Å; D267-S270 PolarHBondContact OD1-N 3.27Å; D267-S270 PolarHBondContact OD1-OG 3.22Å; D267-I272 PolarHBondContact O-N 3.09Å; D267-C273 PolarHBondContact O-N 2.89Å | ||
| 268 | K | 93.6 | Very high | 93.7 | Very high | 77 Ų | 77 | 34.9 Ų | 34.9 | 34% | 0.335 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -39 | 172.8 | -61.7 | -156.2 | -177.4 | -155.6 | 0 | 113.5 | R266 S270 G271 C273 D275 D306 S308 | R266-K268 PolarHBondContact O-N 2.82Å; K268-S270 PolarHBondContact O-N 3.27Å; K268-G271 WeakPolarHBondContact O-CA 3.26Å; K268-G271 PolarHBondContact O-N 2.87Å; K268-C273 HydrophobicContact CG-CB 3.97Å; K268-D275 IonicContact NZ-OD2 3.8Å; K268-D275 PolarHBondContact NZ-OD2 2.89Å; K268-D306 WeakPolarHBondContact CE-OD1 3.36Å; K268-D306 IonicContact NZ-OD1 3.46Å; K268-D306 PolarHBondContact NZ-OD1 3.02Å; K268-D306 IonicContact NZ-OD2 3.48Å; K268-D306 PolarHBondContact NZ-OD2 3.05Å; K268-S308 WeakPolarHBondContact CE-OG 3.43Å |
| 269 | P | 91.6 | Very high | 93.4 | Very high | 122 Ų | 122 | 35 Ų | 35 | 79% | 0.792 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -41.5 | -178.4 | -29.4 | 37 | 0 | 0 | 0 | 115.3 | G271 | P269-G271 PolarHBondContact O-N 3.1Š|
| 270 | S | 90.1 | Very high | 93.2 | Very high | 30 Ų | 30 | 31.7 Ų | 31.7 | 21% | 0.21 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -18.1 | 173.6 | 62 | 0 | 0 | 0 | 0 | 113 | D267 K268 I272 | D267-S270 PolarHBondContact O-OG 3.36Å; D267-S270 WeakPolarHBondContact OD1-CA 3.3Å; D267-S270 WeakPolarHBondContact OD1-CB 3.15Å; D267-S270 PolarHBondContact OD1-N 3.27Å; D267-S270 PolarHBondContact OD1-OG 3.22Å; K268-S270 PolarHBondContact O-N 3.27Å; S270-I272 VanDerWaalsContact OG-CD1 3.28Å; S270-I272 WeakPolarHBondContact OG-CD1 3Å; S270-I272 VanDerWaalsContact OG-CG1 3.24Å; S270-I272 WeakPolarHBondContact OG-CG1 3.47Å; S270-I272 PolarHBondContact OG-N 3.16Å |
| 271 | G | 90.9 | Very high | 93.1 | Very high | 13 Ų | 13 | 30.5 Ų | 30.5 | 13% | 0.134 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | 4.7 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | R241 K268 P269 | R241-G271 PolarHBondContact NE-O 3.2Å; R241-G271 VanDerWaalsContact NE-O 3.16Å; R241-G271 PolarHBondContact NH1-O 2.84Å; K268-G271 WeakPolarHBondContact O-CA 3.26Å; K268-G271 PolarHBondContact O-N 2.87Å; P269-G271 PolarHBondContact O-N 3.1Å |
| 272 | I | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -62.4 | -46.8 | 176.9 | -67.3 | 166.3 | 0 | 0 | 0 | 110.7 | F11 N28 R241 L248 I264 L265 D267 S270 M274 | F11-I272 HydrophobicContact CE1-CD1 4.37Å; F11-I272 HydrophobicContact CE2-CG2 4.08Å; F11-I272 HydrophobicContact CZ-CD1 3.76Å; F11-I272 HydrophobicContact CZ-CG1 4.13Å; F11-I272 HydrophobicContact CZ-CG2 4.13Å; N28-I272 PolarHBondContact ND2-O 3.39Å; R241-I272 PolarHBondContact NH2-O 3.35Å; R241-I272 VanDerWaalsContact NH2-O 3.13Å; L248-I272 HydrophobicContact CD1-CD1 3.58Å; I264-I272 HydrophobicContact CG2-CD1 3.81Å; I264-I272 WeakPolarHBondContact O-CG2 3.29Å; L265-I272 HydrophobicContact CD2-CG2 4.38Å; D267-I272 PolarHBondContact O-N 3.09Å; S270-I272 VanDerWaalsContact OG-CD1 3.28Å; S270-I272 WeakPolarHBondContact OG-CD1 3Å; S270-I272 VanDerWaalsContact OG-CG1 3.24Å; S270-I272 WeakPolarHBondContact OG-CG1 3.47Å; S270-I272 PolarHBondContact OG-N 3.16Å; I272-M274 PolarHBondContact O-N 3.28Å |
| 273 | C | 95.7 | Very high | 93 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.02 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -85.4 | 98.6 | 168.4 | -176.7 | 0 | 0 | 0 | 0 | 109 | L265 R266 D267 K268 D306 P307 | L265-C273 WeakPolarHBondContact O-CB 3.44Å; R266-C273 WeakPolarHBondContact O-CB 3.31Å; D267-C273 PolarHBondContact O-N 2.89Å; K268-C273 HydrophobicContact CG-CB 3.97Å; C273-D306 PolarHBondContact SG-OD1 3.39Å; C273-P307 HydrophobicContact CB-CG 4.36Å |
| 274 | M | 91 | Very high | 93 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.015 | 18% | 0.176 | C | C | . | . | trans | -91.5 | 138.6 | -169.1 | -169.3 | -103.2 | -73.1 | 0 | 0 | 112.9 | D30 I272 F279 C280 T281 | D30-M274 HydrophobicContact CB-CE 3.42Å; D30-M274 VanDerWaalsContact CB-CE 3.42Å; D30-M274 WeakPolarHBondContact OD2-CB 3.37Å; D30-M274 WeakPolarHBondContact OD2-CE 3.44Å; I272-M274 PolarHBondContact O-N 3.28Å; M274-F279 HydrophobicContact CE-CB 3.2Å; M274-F279 HydrophobicContact CE-CD1 4.15Å; M274-F279 HydrophobicContact CE-CG 4.06Å; M274-F279 HydrophobicContact SD-CB 3.44Å; M274-F279 WeakPolarHBondContact SD-CB 3.46Å; M274-C280 CarbonylContact O-C 3.6Å; M274-C280 WeakPolarHBondContact O-CA 3.18Å; M274-C280 WeakPolarHBondContact O-CB 3.29Å; M274-T281 PolarHBondContact N-OG1 2.71Å; M274-T281 PolarHBondContact O-N 3.19Å | ||
| 275 | D | 89.6 | Confident | 93 | Very high | 66 Ų | 66 | 26.1 Ų | 26.1 | 35% | 0.353 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 61.3 | 177.2 | -170.9 | 19 | 0 | 0 | 0 | 110.4 | R33 K268 | R33-D275 IonicContact CZ-OD1 2.67Å; R33-D275 IonicContact NH1-OD1 3.12Å; R33-D275 PolarHBondContact NH1-OD1 3.49Å; R33-D275 IonicContact NH2-OD1 2.75Å; R33-D275 PolarHBondContact NH2-OD1 2.89Å; K268-D275 IonicContact NZ-OD2 3.8Å; K268-D275 PolarHBondContact NZ-OD2 2.89Å |
| 276 | S | 85.5 | Confident | 93.1 | Very high | 31 Ų | 31 | 26.1 Ų | 26.1 | 22% | 0.217 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 161.7 | -171.5 | 69.9 | 0 | 0 | 0 | 0 | 114 | A4 G278 F279 | A4-S276 VanDerWaalsContact CB-CB 3.46Å; A4-S276 WeakPolarHBondContact CB-OG 3.35Å; S276-G278 VanDerWaalsContact C-N 3.28Å; S276-G278 PolarHBondContact O-N 3.1Å; S276-F279 PolarHBondContact N-O 2.58Å; S276-F279 VanDerWaalsContact N-O 3.13Å; S276-F279 PolarHBondContact O-N 2.95Å; S276-F279 VanDerWaalsContact O-O 3.08Å |
| 277 | G | 78.8 | Confident | 93.1 | Very high | 59 Ų | 59 | 24.7 Ų | 24.7 | 61% | 0.608 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 25.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | F279 | G277-F279 PolarHBondContact O-N 3.11Š|
| 278 | G | 85.9 | Confident | 93.2 | Very high | 52 Ų | 52 | 23.1 Ų | 23.1 | 54% | 0.536 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 0.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R33 S276 | R33-G278 PolarHBondContact N-O 3.47Å; S276-G278 VanDerWaalsContact C-N 3.28Å; S276-G278 PolarHBondContact O-N 3.1Å |
| 279 | F | 90.9 | Very high | 93.4 | Very high | 13 Ų | 13 | 19.4 Ų | 19.4 | 6% | 0.057 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 165.4 | 174.9 | -75.2 | -118.5 | 0 | 0 | 0 | 110.7 | M6 R31 P32 R33 F151 M274 S276 G277 | M6-F279 HydrophobicContact CG-CD2 4.35Å; M6-F279 HydrophobicContact SD-CD2 3.94Å; M6-F279 HydrophobicContact SD-CE2 3.7Å; M6-F279 HydrophobicContact SD-CZ 4.34Å; R31-F279 VanDerWaalsContact O-CA 3.25Å; R31-F279 WeakPolarHBondContact O-CA 3.36Å; R31-F279 WeakPolarHBondContact O-CB 3.37Å; R31-F279 VanDerWaalsContact O-CD1 3.26Å; R31-F279 WeakPolarHBondContact O-CD1 3.47Å; P32-F279 HydrophobicContact CG-CE1 4.37Å; P32-F279 HydrophobicContact CG-CZ 4.49Å; R33-F279 PolarHBondContact NH2-O 3.22Å; F151-F279 HydrophobicContact CZ-CZ 4.49Å; M274-F279 HydrophobicContact CE-CB 3.2Å; M274-F279 HydrophobicContact CE-CD1 4.15Å; M274-F279 HydrophobicContact CE-CG 4.06Å; M274-F279 HydrophobicContact SD-CB 3.44Å; M274-F279 WeakPolarHBondContact SD-CB 3.46Å; S276-F279 PolarHBondContact N-O 2.58Å; S276-F279 VanDerWaalsContact N-O 3.13Å; S276-F279 PolarHBondContact O-N 2.95Å; S276-F279 VanDerWaalsContact O-O 3.08Å; G277-F279 PolarHBondContact O-N 3.11Å |
| 280 | C | 94.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 13.7 Ų | 13.7 | 3% | 0.034 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 168.4 | 160.8 | 62.8 | 0 | 0 | 0 | 0 | 110.1 | D30 R31 M274 T282 | D30-C280 WeakPolarHBondContact CA-O 3.47Å; R31-C280 PolarHBondContact N-O 2.86Å; R31-C280 PolarHBondContact O-N 3.5Å; R31-C280 VanDerWaalsContact O-N 3.07Å; M274-C280 CarbonylContact O-C 3.6Å; M274-C280 WeakPolarHBondContact O-CA 3.18Å; M274-C280 WeakPolarHBondContact O-CB 3.29Å; C280-T282 PolarHBondContact O-N 3Å; C280-T282 VanDerWaalsContact O-N 3.14Å |
| 281 | T | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 108.6 | 161 | -56.7 | 0 | 0 | 0 | 0 | 108 | N28 S29 D30 M274 G283 P305 D306 P307 | N28-T281 HydrophobicContact CB-CG2 3.76Å; S29-T281 CarbonylContact O-C 3.53Å; S29-T281 WeakPolarHBondContact O-CA 3.43Å; D30-T281 WeakPolarHBondContact OD1-CA 3.48Å; D30-T281 VanDerWaalsContact OD1-CB 3.26Å; D30-T281 WeakPolarHBondContact OD1-CB 2.9Å; D30-T281 PolarHBondContact OD1-OG1 3.19Å; M274-T281 PolarHBondContact N-OG1 2.71Å; M274-T281 PolarHBondContact O-N 3.19Å; T281-G283 WeakPolarHBondContact CG2-O 3.45Å; T281-P305 CarbonylContact O-C 3.5Å; T281-P305 VanDerWaalsContact O-CA 3.31Å; T281-P305 WeakPolarHBondContact O-CA 3.42Å; T281-D306 PolarHBondContact O-N 2.85Å; T281-P307 HydrophobicContact CG2-CG 3.99Å |
| 282 | T | 96.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -18.3 | -174.3 | 52 | 0 | 0 | 0 | 0 | 113.3 | S29 R31 E35 Q37 C280 | S29-T282 PolarHBondContact O-N 2.92Å; S29-T282 PolarHBondContact O-OG1 2.82Å; R31-T282 HydrophobicContact CB-CG2 3.75Å; R31-T282 WeakPolarHBondContact CB-OG1 3.37Å; R31-T282 WeakPolarHBondContact CG-OG1 3.34Å; E35-T282 WeakPolarHBondContact O-CG2 3.49Å; Q37-T282 PolarHBondContact NE2-OG1 2.86Å; C280-T282 PolarHBondContact O-N 3Å; C280-T282 VanDerWaalsContact O-N 3.14Å |
| 283 | G | 97.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 149.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | S29 T281 | S29-G283 PolarHBondContact N-O 3.22Å; T281-G283 WeakPolarHBondContact CG2-O 3.45Å |
| 284 | S | 98.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 144.5 | 177 | -167.5 | 0 | 0 | 0 | 0 | 111 | K27 N28 L265 F301 T302 F312 | K27-S284 WeakPolarHBondContact O-CA 3.24Å; K27-S284 PolarHBondContact O-OG 2.93Å; N28-S284 WeakPolarHBondContact OD1-CB 3.26Å; N28-S284 PolarHBondContact OD1-OG 3.28Å; L265-S284 WeakPolarHBondContact CD1-OG 3.17Å; S284-F301 WeakPolarHBondContact O-CA 3.39Å; S284-T302 PolarHBondContact N-OG1 3.43Å; S284-T302 PolarHBondContact O-N 3.04Å; S284-F312 WeakPolarHBondContact OG-CE1 3.2Å; S284-F312 VanDerWaalsContact OG-CZ 3.27Å; S284-F312 WeakPolarHBondContact OG-CZ 3.26Å |
| 285 | M | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 139.4 | 179.8 | -180 | -179.4 | 178.3 | 0 | 0 | 110.9 | F25 G26 K27 M82 A84 L265 S287 H299 F300 F301 | F25-M285 HydrophobicContact CE1-SD 4.11Å; G26-M285 CarbonylContact C-O 3.53Å; G26-M285 VanDerWaalsContact CA-O 3.3Å; G26-M285 WeakPolarHBondContact CA-O 3.13Å; K27-M285 PolarHBondContact N-O 3.48Å; K27-M285 PolarHBondContact O-N 3.36Å; M82-M285 HydrophobicContact CB-SD 4.02Å; M82-M285 HydrophobicContact CE-CB 3.81Å; M82-M285 HydrophobicContact CG-CB 4.13Å; M82-M285 HydrophobicContact CG-SD 3.96Å; M82-M285 HydrophobicContact SD-CB 3.27Å; M82-M285 WeakPolarHBondContact SD-CB 3.48Å; M82-M285 HydrophobicContact SD-CG 4.38Å; M82-M285 HydrophobicContact SD-SD 4.29Å; A84-M285 HydrophobicContact CB-CE 3.84Å; L265-M285 WeakPolarHBondContact CD1-O 3.46Å; M285-S287 WeakPolarHBondContact CE-OG 3.09Å; M285-H299 HydrophobicContact CE-CB 4.34Å; M285-F300 CarbonylContact C-O 3.5Å; M285-F300 WeakPolarHBondContact CA-O 3.38Å; M285-F301 HydrophobicContact CB-CD1 4Å; M285-F301 HydrophobicContact CB-CE1 4.02Å; M285-F301 HydrophobicContact CE-CE1 3.94Å; M285-F301 HydrophobicContact CE-CZ 3.67Å; M285-F301 HydrophobicContact CG-CD1 3.92Å; M285-F301 HydrophobicContact CG-CE1 3.55Å; M285-F301 HydrophobicContact CG-CZ 4.07Å; M285-F301 HydrophobicContact SD-CD1 4.28Å; M285-F301 HydrophobicContact SD-CE1 3.36Å; M285-F301 WeakPolarHBondContact SD-CE1 3.47Å; M285-F301 HydrophobicContact SD-CZ 3.77Å |
| 286 | V | 98.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 144.3 | 164.2 | 175.2 | 0 | 0 | 0 | 0 | 108.2 | I24 F25 A258 M261 M262 L265 H299 F300 F312 | I24-V286 HydrophobicContact CG2-CG1 4.37Å; F25-V286 CarbonylContact O-C 3.57Å; F25-V286 VanDerWaalsContact O-CA 3.26Å; F25-V286 WeakPolarHBondContact O-CA 3.26Å; A258-V286 HydrophobicContact CB-CG1 4.15Å; M261-V286 HydrophobicContact CB-CG1 4.12Å; M261-V286 HydrophobicContact CB-CG2 4.24Å; M261-V286 HydrophobicContact CG-CG1 4.15Å; M261-V286 HydrophobicContact CG-CG2 3.87Å; M262-V286 HydrophobicContact CE-CB 4.35Å; M262-V286 HydrophobicContact CG-CB 4.34Å; M262-V286 HydrophobicContact CG-CG2 3.71Å; L265-V286 HydrophobicContact CD1-CG2 3.5Å; L265-V286 VanDerWaalsContact CD1-CG2 3.5Å; V286-H299 CarbonylContact O-C 3.59Å; V286-F300 HydrophobicContact CB-CB 4.36Å; V286-F300 HydrophobicContact CB-CD2 4.49Å; V286-F300 PolarHBondContact N-O 2.85Å; V286-F300 PolarHBondContact O-N 2.87Å; V286-F312 HydrophobicContact CG2-CD1 4.33Å; V286-F312 HydrophobicContact CG2-CE1 3.88Å; V286-F312 HydrophobicContact CG2-CZ 4.29Å |
| 287 | S | 98.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 142.2 | 172.7 | -62.6 | 0 | 0 | 0 | 0 | 111.5 | I24 F25 M285 I298 H299 | I24-S287 CarbonylContact C-O 3.55Å; I24-S287 VanDerWaalsContact CA-O 3.28Å; I24-S287 WeakPolarHBondContact CA-O 3.25Å; F25-S287 PolarHBondContact N-O 3.07Å; F25-S287 PolarHBondContact O-N 2.99Å; M285-S287 WeakPolarHBondContact CE-OG 3.09Å; S287-I298 CarbonylContact C-O 3.48Å; S287-I298 VanDerWaalsContact CA-O 3.23Å; S287-I298 WeakPolarHBondContact CA-O 3.19Å; S287-H299 WeakPolarHBondContact CB-ND1 3.15Å; S287-H299 PolarHBondContact OG-ND1 3.43Å |
| 288 | V | 98.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 27.1 Ų | 27.1 | 5% | 0.048 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 119 | 172.1 | -176.7 | 0 | 0 | 0 | 0 | 107 | H22 A258 P290 I298 F300 L394 | H22-V288 HydrophobicContact CB-CG1 3.89Å; A258-V288 HydrophobicContact CB-CG2 3.77Å; V288-P290 WeakPolarHBondContact O-CD 3.5Å; V288-I298 PolarHBondContact N-O 2.73Å; V288-I298 PolarHBondContact O-N 2.93Å; V288-F300 HydrophobicContact CG2-CE2 4.26Å; V288-L394 HydrophobicContact CG1-CD1 4.25Å |
| 289 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 94.1 | 179.9 | -46.3 | 178 | 0 | 0 | 0 | 107.9 | H22 V23 V160 R162 C297 | H22-L289 WeakPolarHBondContact CA-O 3.11Å; V23-L289 HydrophobicContact CB-CB 4.23Å; V23-L289 PolarHBondContact N-O 3.39Å; V23-L289 PolarHBondContact O-N 2.87Å; V160-L289 HydrophobicContact CG1-CD1 4.18Å; R162-L289 HydrophobicContact CG-CB 4.06Å; L289-C297 HydrophobicContact CD2-CB 3.68Å; L289-C297 WeakPolarHBondContact CD2-SG 3.34Å |
| 290 | P | 97.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 141 | 175.8 | -24.5 | 34.7 | 0 | 0 | 0 | 111.4 | R162 V288 D292 L295 P296 L394 | R162-P290 VanDerWaalsContact CD-O 3.27Å; R162-P290 WeakPolarHBondContact CD-O 3.23Å; R162-P290 WeakPolarHBondContact CG-O 3.45Å; R162-P290 PolarHBondContact NH1-O 2.8Å; V288-P290 WeakPolarHBondContact O-CD 3.5Å; P290-D292 PolarHBondContact O-N 2.6Å; P290-L295 HydrophobicContact CB-CB 3.84Å; P290-L295 HydrophobicContact CB-CD1 4.02Å; P290-L295 HydrophobicContact CG-CB 3.9Å; P290-L295 HydrophobicContact CG-CD1 4.42Å; P290-P296 WeakPolarHBondContact CD-O 3.32Å; P290-L394 HydrophobicContact CG-CD2 3.71Å |
| 291 | R | 96.8 | Very high | 97 | Very high | 126 Ų | 126 | 23.8 Ų | 23.8 | 48% | 0.475 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -68.8 | -29 | 174.1 | -65.6 | -168.8 | 78.1 | -174.6 | 2.2 | 112.3 | D21 R162 A293 | D21-R291 WeakPolarHBondContact O-CG 3.5Å; D21-R291 PolarHBondContact O-N 3.35Å; D21-R291 VanDerWaalsContact O-N 3.07Å; D21-R291 WeakPolarHBondContact OD1-CD 3.38Å; D21-R291 IonicContact OD1-NH1 3Å; R162-R291 WeakPolarHBondContact O-CG 3.45Å; R291-A293 PolarHBondContact O-N 2.88Å |
| 292 | D | 95.5 | Very high | 97 | Very high | 86 Ų | 86 | 23.8 Ų | 23.8 | 46% | 0.46 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -68.6 | 108.7 | 170 | -172.3 | -16.1 | 0 | 0 | 0 | 110 | R162 P290 S294 L295 | R162-D292 PolarHBondContact NH1-O 2.74Å; P290-D292 PolarHBondContact O-N 2.6Å; D292-S294 PolarHBondContact O-N 2.73Å; D292-S294 VanDerWaalsContact OD1-CB 3.3Å; D292-S294 WeakPolarHBondContact OD1-CB 3.49Å; D292-S294 PolarHBondContact OD1-N 3.49Å; D292-S294 PolarHBondContact OD1-OG 2.89Å; D292-S294 PolarHBondContact OD2-OG 3.22Å; D292-L295 HydrophobicContact CB-CD1 4.21Å; D292-L295 HydrophobicContact CB-CG 4.31Å; D292-L295 PolarHBondContact O-N 3.1Å; D292-L295 VanDerWaalsContact O-N 3.08Å |
| 293 | A | 93.7 | Very high | 97 | Very high | 82 Ų | 82 | 23.7 Ų | 23.7 | 68% | 0.678 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -13.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R291 L295 | R291-A293 PolarHBondContact O-N 2.88Å; A293-L295 VanDerWaalsContact C-N 3.28Å |
| 294 | S | 91.9 | Very high | 97 | Very high | 96 Ų | 96 | 23.8 Ų | 23.8 | 67% | 0.671 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -20.1 | 172.8 | 72 | 0 | 0 | 0 | 0 | 112.9 | D292 | D292-S294 PolarHBondContact O-N 2.73Å; D292-S294 VanDerWaalsContact OD1-CB 3.3Å; D292-S294 WeakPolarHBondContact OD1-CB 3.49Å; D292-S294 PolarHBondContact OD1-N 3.49Å; D292-S294 PolarHBondContact OD1-OG 2.89Å; D292-S294 PolarHBondContact OD2-OG 3.22Å |
| 295 | L | 93.3 | Very high | 96.9 | Very high | 41 Ų | 41 | 24.3 Ų | 24.3 | 22% | 0.215 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -90 | 141.4 | 175.5 | -62.5 | 176.9 | 0 | 0 | 0 | 110.8 | R162 P290 D292 A293 L394 | R162-L295 PolarHBondContact NH1-O 3.43Å; R162-L295 PolarHBondContact NH2-O 2.94Å; P290-L295 HydrophobicContact CB-CB 3.84Å; P290-L295 HydrophobicContact CB-CD1 4.02Å; P290-L295 HydrophobicContact CG-CB 3.9Å; P290-L295 HydrophobicContact CG-CD1 4.42Å; D292-L295 HydrophobicContact CB-CD1 4.21Å; D292-L295 HydrophobicContact CB-CG 4.31Å; D292-L295 PolarHBondContact O-N 3.1Å; D292-L295 VanDerWaalsContact O-N 3.08Å; A293-L295 VanDerWaalsContact C-N 3.28Å; L295-L394 HydrophobicContact CB-CD2 4.29Å; L295-L394 HydrophobicContact CD1-CD2 4.31Å |
| 296 | P | 93.6 | Very high | 96.7 | Very high | 45 Ų | 45 | 24.7 Ų | 24.7 | 29% | 0.292 | 15% | 0.146 | S | C | . | . | P | Polyproline II helix | trans | -69.1 | 150.5 | 177.8 | 29.7 | -34.8 | 0 | 0 | 0 | 111.8 | P290 I316 M393 | P290-P296 WeakPolarHBondContact CD-O 3.32Å; P296-I316 HydrophobicContact CB-CG2 3.81Å; P296-I316 HydrophobicContact CG-CG2 4.43Å; P296-M393 HydrophobicContact CG-CE 4.21Å; P296-M393 HydrophobicContact CG-SD 3.78Å |
| 297 | C | 96.8 | Very high | 96.6 | Very high | 11 Ų | 11 | 24.7 Ų | 24.7 | 7% | 0.074 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -76 | 146.2 | 163.6 | -67.5 | 0 | 0 | 0 | 0 | 109.8 | R162 L289 H299 | R162-C297 PolarHBondContact NE-SG 3.12Å; R162-C297 VanDerWaalsContact NE-SG 3.43Å; R162-C297 PolarHBondContact NH2-SG 3.16Å; L289-C297 HydrophobicContact CD2-CB 3.68Å; L289-C297 WeakPolarHBondContact CD2-SG 3.34Å; C297-H299 WeakPolarHBondContact CB-NE2 3.31Å |
| 298 | I | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 127.5 | -176.5 | -48.8 | -179 | 0 | 0 | 0 | 108.9 | S287 V288 F300 P314 I316 I390 M393 L394 | S287-I298 CarbonylContact C-O 3.48Å; S287-I298 VanDerWaalsContact CA-O 3.23Å; S287-I298 WeakPolarHBondContact CA-O 3.19Å; V288-I298 PolarHBondContact N-O 2.73Å; V288-I298 PolarHBondContact O-N 2.93Å; I298-F300 HydrophobicContact CB-CE2 4.32Å; I298-F300 HydrophobicContact CG2-CD2 4.27Å; I298-F300 HydrophobicContact CG2-CE2 3.62Å; I298-F300 HydrophobicContact CG2-CZ 3.8Å; I298-P314 HydrophobicContact CG2-CB 4.33Å; I298-I316 HydrophobicContact CG1-CD1 4.33Å; I298-I316 HydrophobicContact CG1-CG1 4.28Å; I298-I316 HydrophobicContact CG2-CG1 4.16Å; I298-I390 HydrophobicContact CD1-CB 4.25Å; I298-I390 HydrophobicContact CD1-CG1 4.25Å; I298-I390 HydrophobicContact CD1-CG2 3.22Å; I298-I390 HydrophobicContact CG2-CD1 3.91Å; I298-I390 HydrophobicContact CG2-CG1 4.41Å; I298-I390 HydrophobicContact CG2-CG2 4.37Å; I298-M393 HydrophobicContact CD1-CE 3.43Å; I298-M393 VanDerWaalsContact CD1-CE 3.43Å; I298-M393 HydrophobicContact CG1-CE 4.29Å; I298-L394 HydrophobicContact CD1-CD1 3.8Å; I298-L394 HydrophobicContact CD1-CD2 4.04Å; I298-L394 HydrophobicContact CD1-CG 3.92Å |
| 299 | H | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 115.6 | -172.8 | -52.4 | -70.4 | 0 | 0 | 0 | 109.8 | A84 M285 V286 S287 C297 F301 P314 F315 F317 | A84-H299 WeakPolarHBondContact CB-CE1 3.4Å; A84-H299 VanDerWaalsContact CB-ND1 3.31Å; A84-H299 WeakPolarHBondContact CB-ND1 3.26Å; M285-H299 HydrophobicContact CE-CB 4.34Å; V286-H299 CarbonylContact O-C 3.59Å; S287-H299 WeakPolarHBondContact CB-ND1 3.15Å; S287-H299 PolarHBondContact OG-ND1 3.43Å; C297-H299 WeakPolarHBondContact CB-NE2 3.31Å; H299-F301 HydrophobicContact CB-CE2 3.64Å; H299-F301 HydrophobicContact CB-CZ 4.12Å; H299-P314 CarbonylContact O-C 3.38Å; H299-F315 PolarHBondContact N-O 2.62Å; H299-F315 WeakPolarHBondContact O-CA 3.48Å; H299-F315 WeakPolarHBondContact O-CB 3.25Å; H299-F315 PolarHBondContact O-N 3.13Å; H299-F317 AromaticContact CD2-CE2 3.8Å; H299-F317 AromaticContact NE2-CD2 3.98Å; H299-F317 AromaticContact NE2-CE2 3.67Å |
| 300 | F | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 134.6 | 179.2 | -58.8 | -99.3 | 0 | 0 | 0 | 110.6 | A258 M262 M285 V286 V288 I298 F312 K313 P314 L387 I390 | A258-F300 HydrophobicContact CB-CE2 4.44Å; M262-F300 HydrophobicContact CE-CB 3.84Å; M262-F300 HydrophobicContact CE-CD1 3.56Å; M262-F300 HydrophobicContact CE-CD2 3.9Å; M262-F300 HydrophobicContact CE-CE1 3.99Å; M262-F300 HydrophobicContact CE-CE2 4.32Å; M262-F300 HydrophobicContact CE-CG 3.49Å; M262-F300 VanDerWaalsContact CE-CG 3.49Å; M262-F300 HydrophobicContact CE-CZ 4.35Å; M285-F300 CarbonylContact C-O 3.5Å; M285-F300 WeakPolarHBondContact CA-O 3.38Å; V286-F300 HydrophobicContact CB-CB 4.36Å; V286-F300 HydrophobicContact CB-CD2 4.49Å; V286-F300 PolarHBondContact N-O 2.85Å; V286-F300 PolarHBondContact O-N 2.87Å; V288-F300 HydrophobicContact CG2-CE2 4.26Å; I298-F300 HydrophobicContact CB-CE2 4.32Å; I298-F300 HydrophobicContact CG2-CD2 4.27Å; I298-F300 HydrophobicContact CG2-CE2 3.62Å; I298-F300 HydrophobicContact CG2-CZ 3.8Å; F300-F312 HydrophobicContact CB-CB 3.96Å; F300-F312 HydrophobicContact CB-CD1 4.01Å; F300-F312 HydrophobicContact CB-CG 4.41Å; F300-F312 HydrophobicContact CD1-CB 4.39Å; F300-K313 CarbonylContact C-O 3.58Å; F300-K313 WeakPolarHBondContact CA-O 2.99Å; F300-P314 HydrophobicContact CD1-CB 3.74Å; F300-P314 HydrophobicContact CD1-CG 4.5Å; F300-P314 HydrophobicContact CE1-CB 3.67Å; F300-P314 HydrophobicContact CE1-CG 4.37Å; F300-P314 HydrophobicContact CZ-CB 4.37Å; F300-L387 HydrophobicContact CE1-CD2 3.82Å; F300-L387 HydrophobicContact CE1-CG 4.42Å; F300-L387 HydrophobicContact CZ-CD2 3.76Å; F300-I390 HydrophobicContact CE1-CD1 3.53Å; F300-I390 HydrophobicContact CZ-CD1 3.49Å; F300-I390 VanDerWaalsContact CZ-CD1 3.49Å; F300-I390 HydrophobicContact CZ-CG2 4.28Å |
| 301 | F | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 145.2 | 177.2 | -61 | -86.4 | 0 | 0 | 0 | 111.7 | V39 V70 S284 M285 H299 K313 F315 F407 | V39-F301 HydrophobicContact CG1-CB 4.27Å; V39-F301 HydrophobicContact CG1-CD1 4.34Å; V39-F301 HydrophobicContact CG1-CD2 3.95Å; V39-F301 HydrophobicContact CG1-CE2 4.38Å; V39-F301 HydrophobicContact CG1-CG 3.93Å; V39-F301 HydrophobicContact CG2-CB 3.72Å; V39-F301 HydrophobicContact CG2-CD1 4.16Å; V39-F301 HydrophobicContact CG2-CG 4.01Å; V70-F301 HydrophobicContact CB-CE2 4.42Å; V70-F301 HydrophobicContact CB-CZ 4.45Å; V70-F301 HydrophobicContact CG1-CE2 3.87Å; V70-F301 HydrophobicContact CG1-CZ 3.83Å; V70-F301 HydrophobicContact CG2-CD2 4.43Å; V70-F301 HydrophobicContact CG2-CE2 3.64Å; V70-F301 HydrophobicContact CG2-CZ 3.89Å; S284-F301 WeakPolarHBondContact O-CA 3.39Å; M285-F301 HydrophobicContact CB-CD1 4Å; M285-F301 HydrophobicContact CB-CE1 4.02Å; M285-F301 HydrophobicContact CE-CE1 3.94Å; M285-F301 HydrophobicContact CE-CZ 3.67Å; M285-F301 HydrophobicContact CG-CD1 3.92Å; M285-F301 HydrophobicContact CG-CE1 3.55Å; M285-F301 HydrophobicContact CG-CZ 4.07Å; M285-F301 HydrophobicContact SD-CD1 4.28Å; M285-F301 HydrophobicContact SD-CE1 3.36Å; M285-F301 WeakPolarHBondContact SD-CE1 3.47Å; M285-F301 HydrophobicContact SD-CZ 3.77Å; H299-F301 HydrophobicContact CB-CE2 3.64Å; H299-F301 HydrophobicContact CB-CZ 4.12Å; F301-K313 PolarHBondContact N-O 2.78Å; F301-K313 PolarHBondContact O-N 3.38Å; F301-F315 HydrophobicContact CD2-CB 4.32Å; F301-F315 HydrophobicContact CE2-CB 4.26Å; F301-F407 HydrophobicContact CB-CE2 4.2Å |
| 302 | T | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -78.4 | -35.4 | 171 | 59.9 | 0 | 0 | 0 | 0 | 112.8 | S284 T304 P307 I311 F312 K313 | S284-T302 PolarHBondContact N-OG1 3.43Å; S284-T302 PolarHBondContact O-N 3.04Å; T302-T304 WeakPolarHBondContact CB-O 3.01Å; T302-T304 PolarHBondContact O-N 2.94Å; T302-T304 PolarHBondContact O-OG1 2.75Å; T302-T304 VanDerWaalsContact O-OG1 3.07Å; T302-T304 PolarHBondContact OG1-O 3.26Å; T302-P307 HydrophobicContact CG2-CB 4.24Å; T302-I311 WeakPolarHBondContact CA-O 3.49Å; T302-F312 HydrophobicContact CG2-CD1 4.02Å; T302-F312 HydrophobicContact CG2-CD2 4.41Å; T302-F312 HydrophobicContact CG2-CE1 3.9Å; T302-F312 HydrophobicContact CG2-CE2 4.28Å; T302-F312 HydrophobicContact CG2-CG 4.28Å; T302-F312 HydrophobicContact CG2-CZ 4.03Å; T302-K313 WeakPolarHBondContact O-CE 3.5Å; T302-K313 PolarHBondContact O-NZ 2.62Å | ||
| 303 | A | 97 | Very high | 96.2 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | trans | 51.6 | 13.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | V39 V327 H352 L354 F407 | V39-A303 HydrophobicContact CB-CB 4.35Å; V39-A303 HydrophobicContact CG2-CB 3.65Å; A303-V327 HydrophobicContact CB-CB 4.23Å; A303-V327 HydrophobicContact CB-CG1 3.81Å; A303-H352 PolarHBondContact O-CE1 3.36Å; A303-L354 HydrophobicContact CB-CD2 3.84Å; A303-F407 HydrophobicContact CB-CZ 4.43Å | ||
| 304 | T | 96.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.012 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -148.4 | 152.2 | -179.7 | 49.9 | 0 | 0 | 0 | 0 | 108.4 | T302 S310 L354 H358 | T302-T304 WeakPolarHBondContact CB-O 3.01Å; T302-T304 PolarHBondContact O-N 2.94Å; T302-T304 PolarHBondContact O-OG1 2.75Å; T302-T304 VanDerWaalsContact O-OG1 3.07Å; T302-T304 PolarHBondContact OG1-O 3.26Å; T304-S310 WeakPolarHBondContact CB-OG 3.44Å; T304-S310 VanDerWaalsContact OG1-CB 3.22Å; T304-S310 WeakPolarHBondContact OG1-CB 3.27Å; T304-S310 PolarHBondContact OG1-OG 3.29Å; T304-L354 HydrophobicContact CG2-CD1 4.13Å; T304-L354 HydrophobicContact CG2-CD2 3.76Å; T304-L354 HydrophobicContact CG2-CG 3.55Å; T304-H358 HydrophobicContact CG2-CB 3.73Å |
| 305 | P | 96.5 | Very high | 96.5 | Very high | 12 Ų | 12 | 10.6 Ų | 10.6 | 8% | 0.078 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -71 | 166.8 | 179.7 | 31 | -36.8 | 0 | 0 | 0 | 112.4 | T281 S310 Y355 H358 | T281-P305 CarbonylContact O-C 3.5Å; T281-P305 VanDerWaalsContact O-CA 3.31Å; T281-P305 WeakPolarHBondContact O-CA 3.42Å; P305-S310 PolarHBondContact O-OG 3.06Å; P305-Y355 HydrophobicContact CG-CE2 3.96Å; P305-H358 PolarHBondContact O-NE2 2.67Å |
| 306 | D | 95.6 | Very high | 96.6 | Very high | 8 Ų | 8 | 9.5 Ų | 9.5 | 4% | 0.043 | 5% | 0.052 | C | C | . | . | trans | 54.4 | 86.9 | 177.4 | -168.2 | -7.8 | 0 | 0 | 0 | 112.5 | K268 C273 T281 S308 R309 S310 | K268-D306 WeakPolarHBondContact CE-OD1 3.36Å; K268-D306 IonicContact NZ-OD1 3.46Å; K268-D306 PolarHBondContact NZ-OD1 3.02Å; K268-D306 IonicContact NZ-OD2 3.48Å; K268-D306 PolarHBondContact NZ-OD2 3.05Å; C273-D306 PolarHBondContact SG-OD1 3.39Å; T281-D306 PolarHBondContact O-N 2.85Å; D306-S308 PolarHBondContact O-N 2.8Å; D306-S308 WeakPolarHBondContact OD1-CB 3.14Å; D306-S308 PolarHBondContact OD1-N 3.14Å; D306-S308 PolarHBondContact OD1-OG 2.89Å; D306-R309 HydrophobicContact CB-CB 4.31Å; D306-R309 CarbonylContact O-C 3.45Å; D306-R309 PolarHBondContact O-N 3.07Å; D306-R309 WeakPolarHBondContact OD2-CD 3.41Å; D306-R309 WeakPolarHBondContact OD2-CG 3.49Å; D306-S310 WeakPolarHBondContact O-CB 3.43Å; D306-S310 PolarHBondContact O-N 2.98Å; D306-S310 PolarHBondContact O-OG 2.98Å | ||
| 307 | P | 96.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -20.4 | 180 | 24 | -33.8 | 0 | 0 | 0 | 113.2 | L265 R266 C273 T281 T302 R309 F312 | L265-P307 WeakPolarHBondContact O-CG 3.47Å; R266-P307 HydrophobicContact CG-CB 4.13Å; R266-P307 VanDerWaalsContact CG-O 3.31Å; R266-P307 WeakPolarHBondContact CG-O 3.49Å; R266-P307 PolarHBondContact NE-O 2.82Å; C273-P307 HydrophobicContact CB-CG 4.36Å; T281-P307 HydrophobicContact CG2-CG 3.99Å; T302-P307 HydrophobicContact CG2-CB 4.24Å; P307-R309 PolarHBondContact O-N 2.94Å; P307-F312 HydrophobicContact CB-CE2 4.32Å; P307-F312 HydrophobicContact CB-CZ 4.19Å |
| 308 | S | 94.9 | Very high | 96.1 | Very high | 29 Ų | 29 | 10.9 Ų | 10.9 | 20% | 0.203 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -11 | 174.4 | 106.1 | 0 | 0 | 0 | 0 | 113.2 | K268 D306 Y376 | K268-S308 WeakPolarHBondContact CE-OG 3.43Å; D306-S308 PolarHBondContact O-N 2.8Å; D306-S308 WeakPolarHBondContact OD1-CB 3.14Å; D306-S308 PolarHBondContact OD1-N 3.14Å; D306-S308 PolarHBondContact OD1-OG 2.89Å; S308-Y376 PolarHBondContact O-OH 3.05Å |
| 309 | R | 92.9 | Very high | 95.3 | Very high | 50 Ų | 50 | 18.9 Ų | 18.9 | 19% | 0.189 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | 6.2 | 176.3 | -59.3 | -178.5 | 75.3 | -175.7 | -3.3 | 111.9 | D306 P307 H358 L362 E366 | D306-R309 HydrophobicContact CB-CB 4.31Å; D306-R309 CarbonylContact O-C 3.45Å; D306-R309 PolarHBondContact O-N 3.07Å; D306-R309 WeakPolarHBondContact OD2-CD 3.41Å; D306-R309 WeakPolarHBondContact OD2-CG 3.49Å; P307-R309 PolarHBondContact O-N 2.94Å; R309-H358 PolarHBondContact O-CE1 3.04Å; R309-L362 HydrophobicContact CB-CD2 3.76Å; R309-L362 HydrophobicContact CG-CD2 4.37Å; R309-L362 PolarHBondContact NH2-O 3.34Å; R309-E366 IonicContact CZ-OE1 3.72Å; R309-E366 IonicContact NH1-OE1 2.77Å; R309-E366 PolarHBondContact NH1-OE1 3.24Å; R309-E366 IonicContact NH2-OE1 2.95Å |
| 310 | S | 95.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.007 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -125.1 | 163 | -176.5 | -71.2 | 0 | 0 | 0 | 0 | 111.3 | R266 T304 P305 D306 H358 | R266-S310 PolarHBondContact NH2-O 3.17Å; T304-S310 WeakPolarHBondContact CB-OG 3.44Å; T304-S310 VanDerWaalsContact OG1-CB 3.22Å; T304-S310 WeakPolarHBondContact OG1-CB 3.27Å; T304-S310 PolarHBondContact OG1-OG 3.29Å; P305-S310 PolarHBondContact O-OG 3.06Å; D306-S310 WeakPolarHBondContact O-CB 3.43Å; D306-S310 PolarHBondContact O-N 2.98Å; D306-S310 PolarHBondContact O-OG 2.98Å; S310-H358 PolarHBondContact OG-CE1 3.45Å |
| 311 | I | 97.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | trans | -112.1 | 147 | 175.2 | 61.2 | 164 | 0 | 0 | 0 | 112.1 | T302 K313 L379 L382 E383 E414 | T302-I311 WeakPolarHBondContact CA-O 3.49Å; I311-K313 HydrophobicContact CD1-CG 4.38Å; I311-K313 HydrophobicContact CG1-CG 4.3Å; I311-K313 PolarHBondContact O-NZ 2.93Å; I311-L379 HydrophobicContact CD1-CB 4.27Å; I311-L379 HydrophobicContact CD1-CD2 4.13Å; I311-L379 HydrophobicContact CG2-CB 3.73Å; I311-L379 WeakPolarHBondContact CG2-O 3.42Å; I311-L382 HydrophobicContact CD1-CD2 3.92Å; I311-E383 WeakPolarHBondContact CA-OE2 3.41Å; I311-E383 HydrophobicContact CB-CB 4.26Å; I311-E383 HydrophobicContact CG2-CB 4.4Å; I311-E414 WeakPolarHBondContact CG1-OE1 3.46Å | ||
| 312 | F | 98.4 | Very high | 92.6 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.009 | 16% | 0.159 | C | C | . | . | trans | -84.2 | 120.3 | 175.8 | -77.9 | -83.7 | 0 | 0 | 0 | 109.9 | M262 L265 R266 S284 V286 F300 T302 P307 E383 | M262-F312 HydrophobicContact CB-CD2 3.89Å; M262-F312 HydrophobicContact CB-CE2 3.71Å; M262-F312 HydrophobicContact CB-CZ 4.35Å; M262-F312 HydrophobicContact CE-CB 3.52Å; M262-F312 HydrophobicContact CE-CD1 4.31Å; M262-F312 HydrophobicContact CE-CD2 4.31Å; M262-F312 HydrophobicContact CE-CG 3.81Å; M262-F312 HydrophobicContact CG-CB 4.44Å; M262-F312 HydrophobicContact CG-CD1 4.24Å; M262-F312 HydrophobicContact CG-CD2 3.47Å; M262-F312 VanDerWaalsContact CG-CD2 3.47Å; M262-F312 HydrophobicContact CG-CE1 4.37Å; M262-F312 HydrophobicContact CG-CE2 3.64Å; M262-F312 HydrophobicContact CG-CG 3.8Å; M262-F312 HydrophobicContact CG-CZ 4.09Å; M262-F312 HydrophobicContact SD-CB 3.75Å; M262-F312 HydrophobicContact SD-CD2 3.63Å; M262-F312 HydrophobicContact SD-CE2 4.39Å; M262-F312 HydrophobicContact SD-CG 3.76Å; L265-F312 HydrophobicContact CB-CZ 4.41Å; L265-F312 HydrophobicContact CD1-CZ 4.27Å; R266-F312 VanDerWaalsContact NH2-CD2 3.3Å; S284-F312 WeakPolarHBondContact OG-CE1 3.2Å; S284-F312 VanDerWaalsContact OG-CZ 3.27Å; S284-F312 WeakPolarHBondContact OG-CZ 3.26Å; V286-F312 HydrophobicContact CG2-CD1 4.33Å; V286-F312 HydrophobicContact CG2-CE1 3.88Å; V286-F312 HydrophobicContact CG2-CZ 4.29Å; F300-F312 HydrophobicContact CB-CB 3.96Å; F300-F312 HydrophobicContact CB-CD1 4.01Å; F300-F312 HydrophobicContact CB-CG 4.41Å; F300-F312 HydrophobicContact CD1-CB 4.39Å; T302-F312 HydrophobicContact CG2-CD1 4.02Å; T302-F312 HydrophobicContact CG2-CD2 4.41Å; T302-F312 HydrophobicContact CG2-CE1 3.9Å; T302-F312 HydrophobicContact CG2-CE2 4.28Å; T302-F312 HydrophobicContact CG2-CG 4.28Å; T302-F312 HydrophobicContact CG2-CZ 4.03Å; P307-F312 HydrophobicContact CB-CE2 4.32Å; P307-F312 HydrophobicContact CB-CZ 4.19Å; F312-E383 HydrophobicContact CB-CG 4.4Å; F312-E383 WeakPolarHBondContact CB-OE2 3.45Å; F312-E383 PolarHBondContact N-OE2 3.49Å | ||
| 313 | K | 97.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 122.6 | -175.7 | -63.1 | 168.4 | -87.2 | -78.2 | 0 | 108.7 | F300 F301 T302 I311 F407 C410 V411 E414 | F300-K313 CarbonylContact C-O 3.58Å; F300-K313 WeakPolarHBondContact CA-O 2.99Å; F301-K313 PolarHBondContact N-O 2.78Å; F301-K313 PolarHBondContact O-N 3.38Å; T302-K313 WeakPolarHBondContact O-CE 3.5Å; T302-K313 PolarHBondContact O-NZ 2.62Å; I311-K313 HydrophobicContact CD1-CG 4.38Å; I311-K313 HydrophobicContact CG1-CG 4.3Å; I311-K313 PolarHBondContact O-NZ 2.93Å; K313-F407 HydrophobicContact CB-CD2 3.73Å; K313-F407 HydrophobicContact CB-CE2 3.76Å; K313-C410 HydrophobicContact CB-CB 3.94Å; K313-C410 HydrophobicContact CD-CB 4.08Å; K313-C410 HydrophobicContact CG-CB 3.68Å; K313-V411 HydrophobicContact CD-CG2 3.75Å; K313-E414 WeakPolarHBondContact CD-OE2 3.09Å; K313-E414 WeakPolarHBondContact CE-OE2 3.4Å; K313-E414 VanDerWaalsContact NZ-CD 3.34Å; K313-E414 IonicContact NZ-OE1 3.4Å; K313-E414 PolarHBondContact NZ-OE1 3.37Å; K313-E414 IonicContact NZ-OE2 3.41Å; K313-E414 PolarHBondContact NZ-OE2 3.02Å |
| 314 | P | 96.7 | Very high | 92 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 144 | -174.1 | 30.7 | -36.1 | 0 | 0 | 0 | 112.1 | I298 H299 F300 C386 I390 L406 F407 | I298-P314 HydrophobicContact CG2-CB 4.33Å; H299-P314 CarbonylContact O-C 3.38Å; F300-P314 HydrophobicContact CD1-CB 3.74Å; F300-P314 HydrophobicContact CD1-CG 4.5Å; F300-P314 HydrophobicContact CE1-CB 3.67Å; F300-P314 HydrophobicContact CE1-CG 4.37Å; F300-P314 HydrophobicContact CZ-CB 4.37Å; P314-C386 HydrophobicContact CG-CB 4.16Å; P314-I390 HydrophobicContact CB-CD1 3.38Å; P314-I390 HydrophobicContact CG-CD1 3.79Å; P314-L406 HydrophobicContact CB-CD2 4.08Å; P314-L406 HydrophobicContact CG-CB 4.2Å; P314-L406 HydrophobicContact CG-CD2 3.19Å; P314-L406 HydrophobicContact CG-CG 3.49Å; P314-L406 VanDerWaalsContact CG-CG 3.49Å; P314-F407 WeakPolarHBondContact O-CA 2.98Å; P314-F407 WeakPolarHBondContact O-CB 3.46Å; P314-F407 PolarHBondContact O-N 3.18Å; P314-F407 VanDerWaalsContact O-N 3.08Å |
| 315 | F | 96.1 | Very high | 91.9 | Very high | 17 Ų | 17 | 39.4 Ų | 39.4 | 8% | 0.075 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 134.2 | 173.3 | 175.1 | -85.8 | 0 | 0 | 0 | 108.2 | Y41 V70 H299 F301 F317 F407 | Y41-F315 HydrophobicContact CD2-CE2 4.45Å; Y41-F315 AromaticContact CD2-CZ 3.72Å; Y41-F315 HydrophobicContact CD2-CZ 3.72Å; Y41-F315 HydrophobicContact CE2-CZ 4.35Å; Y41-F315 HydrophobicContact CG-CZ 4.31Å; V70-F315 HydrophobicContact CB-CD1 3.92Å; V70-F315 HydrophobicContact CB-CE1 3.66Å; V70-F315 HydrophobicContact CB-CZ 4.06Å; V70-F315 HydrophobicContact CG1-CD1 3.66Å; V70-F315 HydrophobicContact CG1-CE1 3.69Å; V70-F315 HydrophobicContact CG2-CD1 4.03Å; V70-F315 HydrophobicContact CG2-CD2 4.34Å; V70-F315 HydrophobicContact CG2-CE1 4.12Å; V70-F315 HydrophobicContact CG2-CE2 4.42Å; V70-F315 HydrophobicContact CG2-CG 4.14Å; V70-F315 HydrophobicContact CG2-CZ 4.32Å; H299-F315 PolarHBondContact N-O 2.62Å; H299-F315 WeakPolarHBondContact O-CA 3.48Å; H299-F315 WeakPolarHBondContact O-CB 3.25Å; H299-F315 PolarHBondContact O-N 3.13Å; F301-F315 HydrophobicContact CD2-CB 4.32Å; F301-F315 HydrophobicContact CE2-CB 4.26Å; F315-F317 AromaticContact CE1-CD1 3.87Å; F315-F317 HydrophobicContact CE1-CD1 3.87Å; F315-F317 HydrophobicContact CE1-CD2 4.09Å; F315-F317 AromaticContact CE1-CE1 3.9Å; F315-F317 HydrophobicContact CE1-CE1 3.9Å; F315-F317 HydrophobicContact CE1-CE2 4.11Å; F315-F317 AromaticContact CE1-CG 3.97Å; F315-F317 HydrophobicContact CE1-CG 3.97Å; F315-F317 HydrophobicContact CE1-CZ 4.02Å; F315-F317 HydrophobicContact CZ-CD1 4.21Å; F315-F317 HydrophobicContact CZ-CE1 4.33Å; F315-F407 HydrophobicContact CB-CB 4.22Å; F315-F407 HydrophobicContact CB-CD2 4.32Å; F315-F407 HydrophobicContact CB-CG 4.27Å; F315-F407 HydrophobicContact CD2-CB 4.17Å; F315-F407 HydrophobicContact CD2-CD1 4.39Å; F315-F407 HydrophobicContact CD2-CG 4.33Å |
| 316 | I | 94.5 | Very high | 91.9 | Very high | 18 Ų | 18 | 41.4 Ų | 41.4 | 9% | 0.092 | 23% | 0.232 | C | C | . | . | trans | -129.4 | 134.7 | 176.4 | -58.1 | 174.6 | 0 | 0 | 0 | 106.7 | P296 I298 S318 M393 L403 | P296-I316 HydrophobicContact CB-CG2 3.81Å; P296-I316 HydrophobicContact CG-CG2 4.43Å; I298-I316 HydrophobicContact CG1-CD1 4.33Å; I298-I316 HydrophobicContact CG1-CG1 4.28Å; I298-I316 HydrophobicContact CG2-CG1 4.16Å; I316-S318 PolarHBondContact O-N 2.83Å; I316-M393 HydrophobicContact CD1-CE 3.98Å; I316-L403 HydrophobicContact CD1-CB 3.91Å; I316-L403 HydrophobicContact CD1-CD1 4.15Å | ||
| 317 | F | 93.1 | Very high | 92 | Very high | 46 Ų | 46 | 41 Ų | 41 | 20% | 0.202 | 23% | 0.23 | C | C | . | . | trans | -65 | 126.2 | 173.9 | -71.8 | -82.4 | 0 | 0 | 0 | 109.9 | Y41 A68 V70 N85 D86 H299 F315 | Y41-F317 HydrophobicContact CD2-CD1 4.41Å; Y41-F317 HydrophobicContact CD2-CE1 4.11Å; Y41-F317 AromaticContact CE2-CD1 3.88Å; Y41-F317 HydrophobicContact CE2-CD1 3.88Å; Y41-F317 AromaticContact CE2-CE1 3.86Å; Y41-F317 HydrophobicContact CE2-CE1 3.86Å; A68-F317 HydrophobicContact CB-CD1 4.31Å; A68-F317 HydrophobicContact CB-CE1 4.12Å; V70-F317 HydrophobicContact CB-CZ 4.23Å; V70-F317 HydrophobicContact CG1-CE2 4.14Å; V70-F317 HydrophobicContact CG1-CZ 3.78Å; N85-F317 VanDerWaalsContact C-CZ 3.44Å; N85-F317 VanDerWaalsContact O-CE2 3.3Å; N85-F317 WeakPolarHBondContact O-CE2 3.49Å; D86-F317 HydrophobicContact CB-CB 4.42Å; D86-F317 HydrophobicContact CB-CD1 3.92Å; D86-F317 HydrophobicContact CB-CD2 4.35Å; D86-F317 HydrophobicContact CB-CE1 4.23Å; D86-F317 HydrophobicContact CB-CG 3.98Å; H299-F317 AromaticContact CD2-CE2 3.8Å; H299-F317 AromaticContact NE2-CD2 3.98Å; H299-F317 AromaticContact NE2-CE2 3.67Å; F315-F317 AromaticContact CE1-CD1 3.87Å; F315-F317 HydrophobicContact CE1-CD1 3.87Å; F315-F317 HydrophobicContact CE1-CD2 4.09Å; F315-F317 AromaticContact CE1-CE1 3.9Å; F315-F317 HydrophobicContact CE1-CE1 3.9Å; F315-F317 HydrophobicContact CE1-CE2 4.11Å; F315-F317 AromaticContact CE1-CG 3.97Å; F315-F317 HydrophobicContact CE1-CG 3.97Å; F315-F317 HydrophobicContact CE1-CZ 4.02Å; F315-F317 HydrophobicContact CZ-CD1 4.21Å; F315-F317 HydrophobicContact CZ-CE1 4.33Å | ||
| 318 | S | 87.4 | Confident | 92.1 | Very high | 39 Ų | 39 | 43.3 Ų | 43.3 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | trans | -132.5 | 166 | 176.5 | 68.1 | 0 | 0 | 0 | 0 | 109.9 | I316 C320 P321 | I316-S318 PolarHBondContact O-N 2.83Å; S318-C320 PolarHBondContact O-N 2.93Å; S318-P321 WeakPolarHBondContact O-CD 3.45Å | ||
| 319 | D | 80.1 | Confident | 92.2 | Very high | 169 Ų | 169 | 42.3 Ų | 42.3 | 90% | 0.904 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -65.1 | -26.5 | -177.7 | -71.6 | -28.5 | 0 | 0 | 0 | 113.2 | ||
| 320 | C | 76.6 | Confident | 92.4 | Very high | 112 Ų | 112 | 42.8 Ų | 42.8 | 76% | 0.757 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -143.4 | 69.4 | -175.5 | -73.8 | 0 | 0 | 0 | 0 | 110.8 | S318 T322 | S318-C320 PolarHBondContact O-N 2.93Å; C320-T322 PolarHBondContact O-N 2.86Å |
| 321 | P | 79.9 | Confident | 92.4 | Very high | 24 Ų | 24 | 51.5 Ų | 51.5 | 16% | 0.156 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 135.4 | -177.5 | 28.4 | -32.1 | 0 | 0 | 0 | 110.5 | Y41 S318 P323 | Y41-P321 HydrophobicContact CD1-CG 3.71Å; Y41-P321 HydrophobicContact CE1-CG 3.34Å; Y41-P321 HydrophobicContact CE2-CG 4.24Å; Y41-P321 HydrophobicContact CG-CG 4.3Å; S318-P321 WeakPolarHBondContact O-CD 3.45Å; P321-P323 WeakPolarHBondContact O-CD 3.37Å |
| 322 | T | 83.9 | Confident | 92.3 | Very high | 51 Ų | 51 | 53.8 Ų | 53.8 | 31% | 0.313 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 124.6 | 174.5 | -68.2 | 0 | 0 | 0 | 0 | 110.5 | C320 V324 D405 F408 | C320-T322 PolarHBondContact O-N 2.86Å; T322-V324 WeakPolarHBondContact O-CG2 3.35Å; T322-V324 PolarHBondContact O-N 2.61Å; T322-D405 WeakPolarHBondContact CB-OD1 3.5Å; T322-D405 PolarHBondContact OG1-OD1 2.79Å; T322-F408 HydrophobicContact CG2-CB 4.17Å; T322-F408 HydrophobicContact CG2-CD1 4.38Å; T322-F408 HydrophobicContact CG2-CD2 3.6Å; T322-F408 HydrophobicContact CG2-CE2 4.07Å; T322-F408 HydrophobicContact CG2-CG 3.78Å |
| 323 | P | 87 | Confident | 92.2 | Very high | 97 Ų | 97 | 55.8 Ų | 55.8 | 63% | 0.63 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 119.3 | 176.6 | -23.1 | 34 | 0 | 0 | 0 | 112 | P321 L325 | P321-P323 WeakPolarHBondContact O-CD 3.37Å; P323-L325 HydrophobicContact CB-CD2 4.43Å; P323-L325 PolarHBondContact O-N 2.77Å |
| 324 | V | 94.3 | Very high | 92 | Very high | 21 Ų | 21 | 61.7 Ų | 61.7 | 13% | 0.127 | 36% | 0.356 | C | S | . | . | trans | -93.7 | 70.2 | -178.8 | -165.6 | 0 | 0 | 0 | 0 | 111 | T322 R326 V327 F407 F408 V411 | T322-V324 WeakPolarHBondContact O-CG2 3.35Å; T322-V324 PolarHBondContact O-N 2.61Å; V324-R326 PolarHBondContact O-N 2.87Å; V324-V327 HydrophobicContact CB-CG2 4.1Å; V324-V327 HydrophobicContact CG1-CG1 4.43Å; V324-V327 HydrophobicContact CG1-CG2 3.96Å; V324-V327 WeakPolarHBondContact O-CG2 3.15Å; V324-V327 PolarHBondContact O-N 3.48Å; V324-F407 HydrophobicContact CB-CD1 4.06Å; V324-F407 HydrophobicContact CB-CE1 4.11Å; V324-F407 HydrophobicContact CG1-CD1 4.28Å; V324-F407 HydrophobicContact CG1-CE1 4.19Å; V324-F407 HydrophobicContact CG2-CD1 3.59Å; V324-F407 HydrophobicContact CG2-CE1 4.16Å; V324-F408 HydrophobicContact CG1-CD2 4.47Å; V324-F408 HydrophobicContact CG2-CB 3.78Å; V324-F408 HydrophobicContact CG2-CD2 4.2Å; V324-V411 HydrophobicContact CG1-CB 3.9Å; V324-V411 HydrophobicContact CG1-CG1 3.82Å; V324-V411 HydrophobicContact CG1-CG2 3.95Å | ||
| 325 | L | 95.4 | Very high | 91.9 | Very high | 128 Ų | 128 | 64.5 Ų | 64.5 | 67% | 0.67 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -60.8 | -20.3 | -174.6 | -60.6 | -179.7 | 0 | 0 | 0 | 114.2 | P323 V327 V328 | P323-L325 HydrophobicContact CB-CD2 4.43Å; P323-L325 PolarHBondContact O-N 2.77Å; L325-V327 PolarHBondContact O-N 2.86Å; L325-V328 PolarHBondContact O-N 3.42Å; L325-V328 VanDerWaalsContact O-N 3.11Å |
| 326 | R | 97.2 | Very high | 92 | Very high | 54 Ų | 54 | 64.5 Ų | 64.5 | 20% | 0.204 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -70.1 | -11.8 | -179.2 | -54.5 | -164.2 | 70.8 | -166.1 | -3.2 | 114 | V324 H352 D353 L354 V411 D412 I415 | V324-R326 PolarHBondContact O-N 2.87Å; R326-H352 PolarHBondContact O-ND1 2.96Å; R326-D353 HydrophobicContact CB-CB 4.21Å; R326-D353 IonicContact NE-OD2 2.66Å; R326-D353 PolarHBondContact O-N 3.46Å; R326-L354 PolarHBondContact O-N 2.96Å; R326-V411 HydrophobicContact CB-CG1 3.99Å; R326-D412 IonicContact NH1-OD1 2.68Å; R326-D412 PolarHBondContact NH1-OD1 2.83Å; R326-I415 HydrophobicContact CB-CD1 4.04Å; R326-I415 VanDerWaalsContact NH1-CD1 3.34Å; R326-I415 VanDerWaalsContact NH2-CD1 3.29Å |
| 327 | V | 97.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -110.2 | 14.3 | 173.7 | -58.7 | 0 | 0 | 0 | 0 | 113.3 | E38 V39 A303 V324 L325 L354 F407 V411 | E38-V327 WeakPolarHBondContact CA-O 3.22Å; E38-V327 WeakPolarHBondContact CB-O 3.49Å; V39-V327 HydrophobicContact CB-CG2 4.29Å; V39-V327 PolarHBondContact N-O 2.96Å; V39-V327 VanDerWaalsContact O-CG2 3.24Å; V39-V327 WeakPolarHBondContact O-CG2 3.41Å; A303-V327 HydrophobicContact CB-CB 4.23Å; A303-V327 HydrophobicContact CB-CG1 3.81Å; V324-V327 HydrophobicContact CB-CG2 4.1Å; V324-V327 HydrophobicContact CG1-CG1 4.43Å; V324-V327 HydrophobicContact CG1-CG2 3.96Å; V324-V327 WeakPolarHBondContact O-CG2 3.15Å; V324-V327 PolarHBondContact O-N 3.48Å; L325-V327 PolarHBondContact O-N 2.86Å; V327-L354 HydrophobicContact CG1-CB 4.02Å; V327-L354 HydrophobicContact CG1-CD2 3.56Å; V327-L354 HydrophobicContact CG1-CG 4.44Å; V327-F407 HydrophobicContact CG2-CE1 3.97Å; V327-F407 HydrophobicContact CG2-CZ 4.36Å; V327-V411 HydrophobicContact CG1-CG1 3.86Å; V327-V411 HydrophobicContact CG1-CG2 3.82Å |
| 328 | V | 97.6 | Very high | 92.2 | Very high | 48 Ų | 48 | 61.9 Ų | 61.9 | 29% | 0.291 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -114.3 | 131.2 | 178.9 | -172.9 | 0 | 0 | 0 | 0 | 109.4 | V40 L325 H352 | V40-V328 HydrophobicContact CG1-CG1 4.48Å; V40-V328 HydrophobicContact CG1-CG2 4.12Å; L325-V328 PolarHBondContact O-N 3.42Å; L325-V328 VanDerWaalsContact O-N 3.11Å; V328-H352 VanDerWaalsContact O-CB 3.25Å; V328-H352 WeakPolarHBondContact O-CB 3.44Å |
| 329 | S | 97.6 | Very high | 92.6 | Very high | 8 Ų | 8 | 64.3 Ų | 64.3 | 6% | 0.056 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 157.2 | -177.8 | -62.9 | 0 | 0 | 0 | 0 | 112.2 | E38 A75 R350 | E38-S329 WeakPolarHBondContact CG-OG 3.45Å; E38-S329 WeakPolarHBondContact OE1-CA 3.5Å; E38-S329 WeakPolarHBondContact OE1-CB 3.21Å; E38-S329 PolarHBondContact OE1-N 3.34Å; E38-S329 PolarHBondContact OE1-OG 2.97Å; A75-S329 VanDerWaalsContact CB-OG 3.23Å; A75-S329 WeakPolarHBondContact CB-OG 3.37Å; S329-R350 WeakPolarHBondContact CB-O 3.31Å; S329-R350 PolarHBondContact OG-O 3.18Å |
| 330 | P | 96.9 | Very high | 93.3 | Very high | 61 Ų | 61 | 60.5 Ų | 60.5 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 145.1 | 172.6 | -22.4 | 33.3 | 0 | 0 | 0 | 112.3 | F332 | P330-F332 HydrophobicContact CB-CE2 4.34Å; P330-F332 HydrophobicContact CB-CZ 3.95Å; P330-F332 WeakPolarHBondContact O-CD2 3.24Å; P330-F332 WeakPolarHBondContact O-CE2 3.34Å |
| 331 | Q | 94.8 | Very high | 94.1 | Very high | 184 Ų | 184 | 61 Ų | 61 | 86% | 0.86 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -94.7 | 138.8 | 175.7 | -63 | -176.7 | 5.9 | 0 | 0 | 111.5 | ||
| 332 | F | 96.4 | Very high | 94.7 | Very high | 50 Ų | 50 | 64.1 Ų | 64.1 | 22% | 0.219 | 36% | 0.355 | C | S | . | . | trans | -112.6 | -3.8 | -177.7 | -56.6 | -79.7 | 0 | 0 | 0 | 113.6 | P330 S335 D336 V348 D349 R350 | P330-F332 HydrophobicContact CB-CE2 4.34Å; P330-F332 HydrophobicContact CB-CZ 3.95Å; P330-F332 WeakPolarHBondContact O-CD2 3.24Å; P330-F332 WeakPolarHBondContact O-CE2 3.34Å; F332-S335 WeakPolarHBondContact O-CB 3.4Å; F332-S335 PolarHBondContact O-N 3.37Å; F332-S335 PolarHBondContact O-OG 3.36Å; F332-D336 HydrophobicContact CB-CB 3.84Å; F332-V348 HydrophobicContact CD1-CB 4.04Å; F332-V348 HydrophobicContact CD1-CG1 3.95Å; F332-V348 HydrophobicContact CD1-CG2 4.45Å; F332-V348 HydrophobicContact CD2-CB 4.14Å; F332-V348 HydrophobicContact CD2-CG2 3.66Å; F332-V348 HydrophobicContact CE1-CB 3.74Å; F332-V348 HydrophobicContact CE1-CG1 4.11Å; F332-V348 HydrophobicContact CE1-CG2 4.3Å; F332-V348 HydrophobicContact CE2-CB 3.86Å; F332-V348 HydrophobicContact CE2-CG2 3.48Å; F332-V348 VanDerWaalsContact CE2-CG2 3.48Å; F332-V348 HydrophobicContact CG-CB 4.23Å; F332-V348 HydrophobicContact CG-CG1 4.16Å; F332-V348 HydrophobicContact CG-CG2 4.16Å; F332-V348 HydrophobicContact CZ-CB 3.65Å; F332-V348 HydrophobicContact CZ-CG1 4.47Å; F332-V348 HydrophobicContact CZ-CG2 3.83Å; F332-D349 WeakPolarHBondContact CZ-O 3.41Å; F332-R350 HydrophobicContact CE2-CG 4.22Å | ||
| 333 | G | 94.6 | Very high | 95.2 | Very high | 43 Ų | 43 | 63.6 Ų | 63.6 | 44% | 0.443 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | 53.8 | -137.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S335 D336 | G333-S335 PolarHBondContact O-N 2.81Å; G333-S335 VanDerWaalsContact O-N 3.08Å; G333-D336 VanDerWaalsContact O-CB 3.28Å; G333-D336 WeakPolarHBondContact O-CB 3.41Å; G333-D336 PolarHBondContact O-N 3.07Å; G333-D336 VanDerWaalsContact O-N 3.09Å |
| 334 | P | 94.5 | Very high | 95.6 | Very high | 125 Ų | 125 | 59.5 Ų | 59.5 | 81% | 0.812 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -62.2 | -15.6 | 177.4 | -23.1 | 34.1 | 0 | 0 | 0 | 114.8 | D336 | P334-D336 VanDerWaalsContact C-N 3.32Š|
| 335 | S | 94.9 | Very high | 95.7 | Very high | 60 Ų | 60 | 64.6 Ų | 64.6 | 42% | 0.42 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -84.3 | -9.7 | 178.6 | 78.9 | 0 | 0 | 0 | 0 | 113.3 | F332 G333 K340 | F332-S335 WeakPolarHBondContact O-CB 3.4Å; F332-S335 PolarHBondContact O-N 3.37Å; F332-S335 PolarHBondContact O-OG 3.36Å; G333-S335 PolarHBondContact O-N 2.81Å; G333-S335 VanDerWaalsContact O-N 3.08Å; S335-K340 WeakPolarHBondContact O-CE 3.28Å; S335-K340 PolarHBondContact O-NZ 3.48Å |
| 336 | D | 96.9 | Very high | 95.6 | Very high | 17 Ų | 17 | 60.9 Ų | 60.9 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -58.5 | 130.2 | 179.7 | -163.2 | -54.6 | 0 | 0 | 0 | 110.8 | F332 G333 P334 V338 R339 K340 R350 | F332-D336 HydrophobicContact CB-CB 3.84Å; G333-D336 VanDerWaalsContact O-CB 3.28Å; G333-D336 WeakPolarHBondContact O-CB 3.41Å; G333-D336 PolarHBondContact O-N 3.07Å; G333-D336 VanDerWaalsContact O-N 3.09Å; P334-D336 VanDerWaalsContact C-N 3.32Å; D336-V338 HydrophobicContact CB-CG1 4.28Å; D336-V338 PolarHBondContact O-N 2.91Å; D336-V338 VanDerWaalsContact O-N 3.16Å; D336-V338 VanDerWaalsContact OD1-CG1 3.27Å; D336-V338 WeakPolarHBondContact OD1-CG1 3.44Å; D336-V338 PolarHBondContact OD1-N 3.11Å; D336-R339 HydrophobicContact CB-CB 4.46Å; D336-R339 HydrophobicContact CB-CG 4.13Å; D336-R339 PolarHBondContact O-N 3.34Å; D336-K340 PolarHBondContact O-N 3.35Å; D336-R350 VanDerWaalsContact CG-NH2 3.35Å; D336-R350 IonicContact OD1-CZ 2.79Å; D336-R350 IonicContact OD1-NH1 2.82Å; D336-R350 IonicContact OD1-NH2 3.16Å; D336-R350 PolarHBondContact OD1-NH2 3.08Å; D336-R350 IonicContact OD2-CZ 3.09Å; D336-R350 IonicContact OD2-NH1 2.61Å; D336-R350 PolarHBondContact OD2-NH1 2.82Å; D336-R350 IonicContact OD2-NH2 2.93Å; D336-R350 PolarHBondContact OD2-NH2 2.64Å |
| 337 | P | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -32.2 | 175.6 | -28.2 | 35.3 | 0 | 0 | 0 | 114.9 | R339 K340 F344 S346 V348 | P337-R339 PolarHBondContact O-N 3.44Å; P337-K340 PolarHBondContact O-N 3.46Å; P337-F344 HydrophobicContact CB-CD1 4.06Å; P337-F344 PolarHBondContact O-N 2.85Å; P337-S346 VanDerWaalsContact CB-O 3.26Å; P337-S346 WeakPolarHBondContact CB-O 2.82Å; P337-S346 WeakPolarHBondContact CG-O 3.34Å; P337-V348 HydrophobicContact CG-CG1 3.98Å; P337-V348 HydrophobicContact CG-CG2 4.14Å |
| 338 | V | 95.9 | Very high | 95.4 | Very high | 8 Ų | 8 | 67.2 Ų | 67.2 | 5% | 0.048 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -20.4 | 175.8 | 80 | 0 | 0 | 0 | 0 | 112 | T56 Y57 W76 D336 R343 F344 | T56-V338 HydrophobicContact CG2-CG2 4.08Å; Y57-V338 HydrophobicContact CE1-CG2 4.04Å; W76-V338 HydrophobicContact CE3-CB 4.24Å; W76-V338 HydrophobicContact CE3-CG2 3.65Å; W76-V338 HydrophobicContact CZ3-CG2 3.87Å; W76-V338 WeakPolarHBondContact O-CG1 3.36Å; D336-V338 HydrophobicContact CB-CG1 4.28Å; D336-V338 PolarHBondContact O-N 2.91Å; D336-V338 VanDerWaalsContact O-N 3.16Å; D336-V338 VanDerWaalsContact OD1-CG1 3.27Å; D336-V338 WeakPolarHBondContact OD1-CG1 3.44Å; D336-V338 PolarHBondContact OD1-N 3.11Å; V338-R343 WeakPolarHBondContact O-CD 3.43Å; V338-R343 PolarHBondContact O-NE 3.19Å; V338-R343 PolarHBondContact O-NH1 2.85Å; V338-F344 HydrophobicContact CB-CE1 3.97Å; V338-F344 HydrophobicContact CB-CZ 4.39Å; V338-F344 HydrophobicContact CG2-CE1 4.11Å; V338-F344 HydrophobicContact CG2-CZ 4.02Å |
| 339 | R | 95.4 | Very high | 95.4 | Very high | 91 Ų | 91 | 68.4 Ų | 68.4 | 34% | 0.343 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -13.4 | -179 | -64 | -63 | -170.8 | -160.9 | -6.1 | 113.4 | E54 D336 P337 R343 | E54-R339 IonicContact OE1-CZ 2.74Å; E54-R339 IonicContact OE1-NH1 3.2Å; E54-R339 PolarHBondContact OE1-NH1 2.88Å; E54-R339 IonicContact OE2-CZ 3.35Å; E54-R339 IonicContact OE2-NH1 3.35Å; E54-R339 IonicContact OE2-NH2 2.6Å; D336-R339 HydrophobicContact CB-CB 4.46Å; D336-R339 HydrophobicContact CB-CG 4.13Å; D336-R339 PolarHBondContact O-N 3.34Å; P337-R339 PolarHBondContact O-N 3.44Å; R339-R343 VanDerWaalsContact C-NH1 3.29Å; R339-R343 PolarHBondContact O-NH1 3.47Å |
| 340 | K | 95.2 | Very high | 95.4 | Very high | 89 Ų | 89 | 68.6 Ų | 68.6 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -87.6 | 151.8 | -179.2 | -69.6 | 177.6 | 177.9 | 159.7 | 0 | 112.2 | S335 D336 P337 P342 R343 | S335-K340 WeakPolarHBondContact O-CE 3.28Å; S335-K340 PolarHBondContact O-NZ 3.48Å; D336-K340 PolarHBondContact O-N 3.35Å; P337-K340 PolarHBondContact O-N 3.46Å; K340-P342 CarbonylContact O-C 3.47Å; K340-R343 VanDerWaalsContact O-CA 3.24Å; K340-R343 WeakPolarHBondContact O-CA 3.46Å; K340-R343 WeakPolarHBondContact O-CD 3.44Å; K340-R343 PolarHBondContact O-N 2.95Å |
| 341 | Q | 93.3 | Very high | 95.4 | Very high | 123 Ų | 123 | 70 Ų | 70 | 58% | 0.575 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -121.9 | 129.9 | 173.3 | -71.1 | -68.7 | -1.3 | 0 | 0 | 110 | E106 R343 | E106-Q341 PolarHBondContact OE1-NE2 3.1Å; Q341-R343 VanDerWaalsContact NE2-NH2 3.18Å |
| 342 | P | 92.9 | Very high | 95.6 | Very high | 88 Ų | 88 | 61.4 Ų | 61.4 | 57% | 0.571 | 32% | 0.317 | S | S | * | . | S | Bend | cis | -61.4 | 149.4 | -10.6 | 24 | -28.6 | 0 | 0 | 0 | 111.9 | K340 Q345 | K340-P342 CarbonylContact O-C 3.47Å; P342-Q345 HydrophobicContact CB-CG 4.28Å; P342-Q345 HydrophobicContact CG-CG 3.77Å; P342-Q345 WeakPolarHBondContact O-CG 3.34Å |
| 343 | R | 94.6 | Very high | 95.6 | Very high | 40 Ų | 40 | 63 Ų | 63 | 15% | 0.151 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 153.9 | -177.3 | -56.9 | -89.6 | -173.8 | -135.8 | -0.6 | 111.2 | E106 V338 R339 K340 Q341 Q345 | E106-R343 IonicContact OE1-CZ 4Å; E106-R343 IonicContact OE1-NE 3.58Å; E106-R343 PolarHBondContact OE1-NE 3.06Å; E106-R343 IonicContact OE1-NH2 3.39Å; E106-R343 PolarHBondContact OE1-NH2 3.16Å; E106-R343 IonicContact OE2-CZ 2.6Å; E106-R343 IonicContact OE2-NE 3.01Å; E106-R343 IonicContact OE2-NH2 2.85Å; E106-R343 PolarHBondContact OE2-NH2 3.32Å; V338-R343 WeakPolarHBondContact O-CD 3.43Å; V338-R343 PolarHBondContact O-NE 3.19Å; V338-R343 PolarHBondContact O-NH1 2.85Å; R339-R343 VanDerWaalsContact C-NH1 3.29Å; R339-R343 PolarHBondContact O-NH1 3.47Å; K340-R343 VanDerWaalsContact O-CA 3.24Å; K340-R343 WeakPolarHBondContact O-CA 3.46Å; K340-R343 WeakPolarHBondContact O-CD 3.44Å; K340-R343 PolarHBondContact O-N 2.95Å; Q341-R343 VanDerWaalsContact NE2-NH2 3.18Å; R343-Q345 VanDerWaalsContact C-N 3.26Å; R343-Q345 PolarHBondContact O-N 2.8Å; R343-Q345 VanDerWaalsContact O-N 3.1Å; R343-Q345 PolarHBondContact O-NE2 3.21Å |
| 344 | F | 94.9 | Very high | 95.8 | Very high | 11 Ų | 11 | 60.9 Ų | 60.9 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 28.9 | 166.2 | -44.9 | -56.2 | 0 | 0 | 0 | 116.4 | Y57 W76 Q143 E146 P337 V338 S346 | Y57-F344 HydrophobicContact CE1-CZ 4.32Å; Y57-F344 WeakPolarHBondContact OH-CE2 3.48Å; Y57-F344 WeakPolarHBondContact OH-CZ 3.28Å; W76-F344 AromaticContact CE3-CE1 3.94Å; W76-F344 HydrophobicContact CE3-CE1 3.94Å; W76-F344 AromaticContact CE3-CZ 3.78Å; W76-F344 HydrophobicContact CE3-CZ 3.78Å; W76-F344 HydrophobicContact CH2-CZ 4.34Å; W76-F344 HydrophobicContact CZ3-CE1 4.28Å; W76-F344 AromaticContact CZ3-CZ 3.64Å; W76-F344 HydrophobicContact CZ3-CZ 3.64Å; Q143-F344 HydrophobicContact CB-CE2 3.97Å; Q143-F344 HydrophobicContact CG-CD2 3.91Å; Q143-F344 HydrophobicContact CG-CE2 3.61Å; E146-F344 HydrophobicContact CB-CD1 4.28Å; E146-F344 HydrophobicContact CB-CE1 4.35Å; E146-F344 HydrophobicContact CG-CD1 3.46Å; E146-F344 VanDerWaalsContact CG-CD1 3.46Å; E146-F344 HydrophobicContact CG-CE1 3.68Å; E146-F344 HydrophobicContact CG-CG 4.36Å; P337-F344 HydrophobicContact CB-CD1 4.06Å; P337-F344 PolarHBondContact O-N 2.85Å; V338-F344 HydrophobicContact CB-CE1 3.97Å; V338-F344 HydrophobicContact CB-CZ 4.39Å; V338-F344 HydrophobicContact CG2-CE1 4.11Å; V338-F344 HydrophobicContact CG2-CZ 4.02Å; F344-S346 PolarHBondContact O-N 3.36Å |
| 345 | Q | 95.6 | Very high | 95.9 | Very high | 129 Ų | 129 | 55.4 Ų | 55.4 | 60% | 0.603 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -79.5 | -7.2 | 173.4 | -57.3 | -54.7 | -62.8 | 0 | 0 | 113.9 | P342 R343 | P342-Q345 HydrophobicContact CB-CG 4.28Å; P342-Q345 HydrophobicContact CG-CG 3.77Å; P342-Q345 WeakPolarHBondContact O-CG 3.34Å; R343-Q345 VanDerWaalsContact C-N 3.26Å; R343-Q345 PolarHBondContact O-N 2.8Å; R343-Q345 VanDerWaalsContact O-N 3.1Å; R343-Q345 PolarHBondContact O-NE2 3.21Å |
| 346 | S | 94.7 | Very high | 96 | Very high | 49 Ų | 49 | 56.4 Ų | 56.4 | 34% | 0.343 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -140.7 | 155.6 | 177.6 | 58.9 | 0 | 0 | 0 | 0 | 108.8 | P337 F344 | P337-S346 VanDerWaalsContact CB-O 3.26Å; P337-S346 WeakPolarHBondContact CB-O 2.82Å; P337-S346 WeakPolarHBondContact CG-O 3.34Å; F344-S346 PolarHBondContact O-N 3.36Å |
| 347 | R | 93.7 | Very high | 96 | Very high | 148 Ų | 148 | 56.2 Ų | 56.2 | 56% | 0.558 | 27% | 0.266 | S | S | * | . | trans | -112 | 154.1 | 175.1 | -66.4 | -175.3 | 173.2 | -143.9 | -4 | 110.8 | D34 E147 | D34-R347 IonicContact OD2-CZ 3.87Å; D34-R347 IonicContact OD2-NH1 3.18Å; D34-R347 PolarHBondContact OD2-NH1 3.15Å; E147-R347 IonicContact OE1-NH2 2.75Å; E147-R347 PolarHBondContact OE1-NH2 3.26Å; E147-R347 VanDerWaalsContact OE1-NH2 3.15Å | ||
| 348 | V | 96.6 | Very high | 96 | Very high | 40 Ų | 40 | 56.2 Ų | 56.2 | 24% | 0.242 | 27% | 0.266 | C | S | . | . | trans | -129.2 | 153 | 174.8 | -66.4 | 0 | 0 | 0 | 0 | 109.6 | F332 P337 R350 | F332-V348 HydrophobicContact CD1-CB 4.04Å; F332-V348 HydrophobicContact CD1-CG1 3.95Å; F332-V348 HydrophobicContact CD1-CG2 4.45Å; F332-V348 HydrophobicContact CD2-CB 4.14Å; F332-V348 HydrophobicContact CD2-CG2 3.66Å; F332-V348 HydrophobicContact CE1-CB 3.74Å; F332-V348 HydrophobicContact CE1-CG1 4.11Å; F332-V348 HydrophobicContact CE1-CG2 4.3Å; F332-V348 HydrophobicContact CE2-CB 3.86Å; F332-V348 HydrophobicContact CE2-CG2 3.48Å; F332-V348 VanDerWaalsContact CE2-CG2 3.48Å; F332-V348 HydrophobicContact CG-CB 4.23Å; F332-V348 HydrophobicContact CG-CG1 4.16Å; F332-V348 HydrophobicContact CG-CG2 4.16Å; F332-V348 HydrophobicContact CZ-CB 3.65Å; F332-V348 HydrophobicContact CZ-CG1 4.47Å; F332-V348 HydrophobicContact CZ-CG2 3.83Å; P337-V348 HydrophobicContact CG-CG1 3.98Å; P337-V348 HydrophobicContact CG-CG2 4.14Å; V348-R350 HydrophobicContact CG2-CG 3.92Å; V348-R350 PolarHBondContact O-N 3.29Å | ||
| 349 | D | 97 | Very high | 95.8 | Very high | 73 Ų | 73 | 58.6 Ų | 58.6 | 39% | 0.39 | 28% | 0.277 | S | S | . | . | trans | -82.9 | 99.5 | 177.6 | -175.6 | 0.9 | 0 | 0 | 0 | 110.6 | F332 R351 | F332-D349 WeakPolarHBondContact CZ-O 3.41Å; D349-R351 VanDerWaalsContact C-N 3.31Å; D349-R351 PolarHBondContact O-N 3.48Å; D349-R351 VanDerWaalsContact OD1-CB 3.31Å; D349-R351 WeakPolarHBondContact OD1-CB 2.97Å; D349-R351 VanDerWaalsContact OD1-CG 3.24Å; D349-R351 WeakPolarHBondContact OD1-CG 3.08Å; D349-R351 IonicContact OD1-CZ 2.95Å; D349-R351 PolarHBondContact OD1-N 3.36Å; D349-R351 IonicContact OD1-NE 3.62Å; D349-R351 PolarHBondContact OD1-NE 3.49Å; D349-R351 IonicContact OD1-NH2 3.58Å; D349-R351 IonicContact OD2-CZ 2.89Å; D349-R351 IonicContact OD2-NE 2.72Å; D349-R351 PolarHBondContact OD2-NE 2.92Å; D349-R351 IonicContact OD2-NH2 3.7Å; D349-R351 PolarHBondContact OD2-NH2 3.2Å | ||
| 350 | R | 97.3 | Very high | 95.6 | Very high | 12 Ų | 12 | 58.3 Ų | 58.3 | 5% | 0.045 | 29% | 0.285 | C | S | . | . | trans | -85.9 | 4.4 | -178.9 | -57.9 | -167.7 | -178.7 | -90.1 | -0.8 | 114 | V36 A75 W76 E146 S329 F332 D336 V348 H352 | V36-R350 HydrophobicContact CB-CB 4.32Å; V36-R350 HydrophobicContact CG2-CB 4.3Å; A75-R350 HydrophobicContact CB-CB 3.8Å; A75-R350 HydrophobicContact CB-CG 4.29Å; A75-R350 PolarHBondContact O-NH1 3.24Å; W76-R350 VanDerWaalsContact CA-CZ 3.48Å; W76-R350 VanDerWaalsContact CB-NE 3.33Å; E146-R350 VanDerWaalsContact CD-NE 3.31Å; E146-R350 IonicContact OE1-CZ 3.67Å; E146-R350 VanDerWaalsContact OE1-CZ 3.3Å; E146-R350 IonicContact OE1-NE 2.69Å; E146-R350 PolarHBondContact OE1-NE 2.79Å; E146-R350 IonicContact OE1-NH2 3.72Å; E146-R350 PolarHBondContact OE1-NH2 2.77Å; E146-R350 WeakPolarHBondContact OE2-CD 3.24Å; E146-R350 IonicContact OE2-CZ 3.8Å; E146-R350 IonicContact OE2-NE 3.63Å; E146-R350 PolarHBondContact OE2-NE 2.96Å; E146-R350 IonicContact OE2-NH2 3.74Å; S329-R350 WeakPolarHBondContact CB-O 3.31Å; S329-R350 PolarHBondContact OG-O 3.18Å; F332-R350 HydrophobicContact CE2-CG 4.22Å; D336-R350 VanDerWaalsContact CG-NH2 3.35Å; D336-R350 IonicContact OD1-CZ 2.79Å; D336-R350 IonicContact OD1-NH1 2.82Å; D336-R350 IonicContact OD1-NH2 3.16Å; D336-R350 PolarHBondContact OD1-NH2 3.08Å; D336-R350 IonicContact OD2-CZ 3.09Å; D336-R350 IonicContact OD2-NH1 2.61Å; D336-R350 PolarHBondContact OD2-NH1 2.82Å; D336-R350 IonicContact OD2-NH2 2.93Å; D336-R350 PolarHBondContact OD2-NH2 2.64Å; V348-R350 HydrophobicContact CG2-CG 3.92Å; V348-R350 PolarHBondContact O-N 3.29Å; R350-H352 PolarHBondContact O-N 2.88Å | ||
| 351 | R | 97.9 | Very high | 95.4 | Very high | 91 Ų | 91 | 54.5 Ų | 54.5 | 34% | 0.343 | 27% | 0.27 | S | S | . | . | trans | -70.4 | 118.4 | -173.5 | -61 | 175.6 | -67.8 | 170.7 | -0.6 | 110.9 | V36 D349 Y355 K356 Q359 | V36-R351 HydrophobicContact CG2-CB 4.37Å; V36-R351 HydrophobicContact CG2-CG 3.76Å; D349-R351 VanDerWaalsContact C-N 3.31Å; D349-R351 PolarHBondContact O-N 3.48Å; D349-R351 VanDerWaalsContact OD1-CB 3.31Å; D349-R351 WeakPolarHBondContact OD1-CB 2.97Å; D349-R351 VanDerWaalsContact OD1-CG 3.24Å; D349-R351 WeakPolarHBondContact OD1-CG 3.08Å; D349-R351 IonicContact OD1-CZ 2.95Å; D349-R351 PolarHBondContact OD1-N 3.36Å; D349-R351 IonicContact OD1-NE 3.62Å; D349-R351 PolarHBondContact OD1-NE 3.49Å; D349-R351 IonicContact OD1-NH2 3.58Å; D349-R351 IonicContact OD2-CZ 2.89Å; D349-R351 IonicContact OD2-NE 2.72Å; D349-R351 PolarHBondContact OD2-NE 2.92Å; D349-R351 IonicContact OD2-NH2 3.7Å; D349-R351 PolarHBondContact OD2-NH2 3.2Å; R351-Y355 HydrophobicContact CB-CD1 3.79Å; R351-Y355 HydrophobicContact CB-CE1 4.36Å; R351-Y355 HydrophobicContact CG-CD1 3.5Å; R351-Y355 HydrophobicContact CG-CE1 3.56Å; R351-K356 HydrophobicContact CB-CD 4.41Å; R351-K356 HydrophobicContact CB-CG 3.79Å; R351-K356 WeakPolarHBondContact O-CE 3.48Å; R351-K356 PolarHBondContact O-NZ 3.41Å; R351-Q359 VanDerWaalsContact CD-OE1 3.3Å | ||
| 352 | H | 97.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | trans | -77.8 | 172.8 | 170 | 60.2 | 79.5 | 0 | 0 | 0 | 111.3 | V36 Q37 A303 R326 V328 R350 L354 Y355 K356 | V36-H352 WeakPolarHBondContact CG1-CD2 3.32Å; Q37-H352 PolarHBondContact O-NE2 3.11Å; A303-H352 PolarHBondContact O-CE1 3.36Å; R326-H352 PolarHBondContact O-ND1 2.96Å; V328-H352 VanDerWaalsContact O-CB 3.25Å; V328-H352 WeakPolarHBondContact O-CB 3.44Å; R350-H352 PolarHBondContact O-N 2.88Å; H352-L354 PolarHBondContact ND1-N 3.06Å; H352-L354 PolarHBondContact O-N 3.34Å; H352-Y355 VanDerWaalsContact CE1-CB 3.5Å; H352-Y355 WeakPolarHBondContact CE1-CB 3.29Å; H352-Y355 PolarHBondContact CE1-N 3.44Å; H352-Y355 VanDerWaalsContact CE1-N 3.28Å; H352-Y355 PolarHBondContact ND1-N 3.15Å; H352-Y355 VanDerWaalsContact ND1-N 3.17Å; H352-Y355 PolarHBondContact O-N 2.7Å; H352-K356 WeakPolarHBondContact O-CG 3.39Å; H352-K356 PolarHBondContact O-N 2.9Å | ||
| 353 | D | 98 | Very high | 95 | Very high | 82 Ų | 82 | 50.3 Ų | 50.3 | 44% | 0.439 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.4 | -47.5 | -171.5 | -68.6 | -14.2 | 0 | 0 | 0 | 112.9 | R326 Y355 K356 A357 | R326-D353 HydrophobicContact CB-CB 4.21Å; R326-D353 IonicContact NE-OD2 2.66Å; R326-D353 PolarHBondContact O-N 3.46Å; D353-Y355 VanDerWaalsContact C-N 3.34Å; D353-Y355 PolarHBondContact O-N 2.62Å; D353-K356 PolarHBondContact O-N 3.17Å; D353-A357 PolarHBondContact O-N 3.04Å |
| 354 | L | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 177.6 | 179.2 | 59 | 0 | 0 | 0 | 111.5 | A303 T304 R326 V327 H352 K356 A357 H358 V411 E414 I415 Y418 | A303-L354 HydrophobicContact CB-CD2 3.84Å; T304-L354 HydrophobicContact CG2-CD1 4.13Å; T304-L354 HydrophobicContact CG2-CD2 3.76Å; T304-L354 HydrophobicContact CG2-CG 3.55Å; R326-L354 PolarHBondContact O-N 2.96Å; V327-L354 HydrophobicContact CG1-CB 4.02Å; V327-L354 HydrophobicContact CG1-CD2 3.56Å; V327-L354 HydrophobicContact CG1-CG 4.44Å; H352-L354 PolarHBondContact ND1-N 3.06Å; H352-L354 PolarHBondContact O-N 3.34Å; L354-K356 VanDerWaalsContact C-N 3.34Å; L354-K356 PolarHBondContact O-N 3.5Å; L354-A357 PolarHBondContact O-N 2.8Å; L354-H358 VanDerWaalsContact O-CB 3.29Å; L354-H358 WeakPolarHBondContact O-CB 3.46Å; L354-H358 PolarHBondContact O-N 3.26Å; L354-V411 HydrophobicContact CD2-CG1 4.37Å; L354-V411 HydrophobicContact CD2-CG2 4.31Å; L354-E414 HydrophobicContact CD1-CB 4.48Å; L354-E414 HydrophobicContact CD1-CG 4Å; L354-E414 WeakPolarHBondContact CD1-OE2 3.48Å; L354-I415 HydrophobicContact CB-CD1 3.79Å; L354-I415 HydrophobicContact CB-CG1 4.25Å; L354-I415 HydrophobicContact CD1-CD1 3.87Å; L354-I415 HydrophobicContact CD1-CG1 3.41Å; L354-I415 VanDerWaalsContact CD1-CG1 3.41Å; L354-I415 HydrophobicContact CG-CD1 4.4Å; L354-I415 HydrophobicContact CG-CG1 4.4Å; L354-Y418 HydrophobicContact CD1-CE2 4.12Å |
| 355 | Y | 97.4 | Very high | 94.1 | Very high | 10 Ų | 10 | 51.5 Ų | 51.5 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 179.6 | -173.5 | -81.8 | 0 | 0 | 0 | 111.5 | R33 V36 P305 R351 H352 D353 H358 Q359 | R33-Y355 PolarHBondContact O-OH 3.17Å; V36-Y355 HydrophobicContact CG1-CD2 4.12Å; V36-Y355 HydrophobicContact CG1-CG 4.36Å; V36-Y355 HydrophobicContact CG2-CD1 4.25Å; V36-Y355 HydrophobicContact CG2-CD2 4.18Å; V36-Y355 HydrophobicContact CG2-CE1 4.09Å; V36-Y355 HydrophobicContact CG2-CE2 4.07Å; V36-Y355 HydrophobicContact CG2-CG 4.28Å; P305-Y355 HydrophobicContact CG-CE2 3.96Å; R351-Y355 HydrophobicContact CB-CD1 3.79Å; R351-Y355 HydrophobicContact CB-CE1 4.36Å; R351-Y355 HydrophobicContact CG-CD1 3.5Å; R351-Y355 HydrophobicContact CG-CE1 3.56Å; H352-Y355 VanDerWaalsContact CE1-CB 3.5Å; H352-Y355 WeakPolarHBondContact CE1-CB 3.29Å; H352-Y355 PolarHBondContact CE1-N 3.44Å; H352-Y355 VanDerWaalsContact CE1-N 3.28Å; H352-Y355 PolarHBondContact ND1-N 3.15Å; H352-Y355 VanDerWaalsContact ND1-N 3.17Å; H352-Y355 PolarHBondContact O-N 2.7Å; D353-Y355 VanDerWaalsContact C-N 3.34Å; D353-Y355 PolarHBondContact O-N 2.62Å; Y355-H358 PolarHBondContact O-N 3.06Å; Y355-Q359 HydrophobicContact CD1-CG 3.98Å; Y355-Q359 HydrophobicContact CE1-CG 3.71Å; Y355-Q359 WeakPolarHBondContact O-CG 3.26Å; Y355-Q359 PolarHBondContact O-N 3.45Å |
| 356 | K | 97.2 | Very high | 93.6 | Very high | 81 Ų | 81 | 51.2 Ų | 51.2 | 35% | 0.352 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 176.5 | -71.5 | 171.7 | 178.8 | 154.7 | 0 | 111.7 | R351 H352 D353 L354 Q359 V360 | R351-K356 HydrophobicContact CB-CD 4.41Å; R351-K356 HydrophobicContact CB-CG 3.79Å; R351-K356 WeakPolarHBondContact O-CE 3.48Å; R351-K356 PolarHBondContact O-NZ 3.41Å; H352-K356 WeakPolarHBondContact O-CG 3.39Å; H352-K356 PolarHBondContact O-N 2.9Å; D353-K356 PolarHBondContact O-N 3.17Å; L354-K356 VanDerWaalsContact C-N 3.34Å; L354-K356 PolarHBondContact O-N 3.5Å; K356-Q359 PolarHBondContact O-N 3.3Å; K356-V360 WeakPolarHBondContact O-CG2 3.25Å; K356-V360 PolarHBondContact O-N 3.26Å |
| 357 | A | 96.4 | Very high | 93.3 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | D353 L354 Q359 V360 A361 I415 Y418 | D353-A357 PolarHBondContact O-N 3.04Å; L354-A357 PolarHBondContact O-N 2.8Å; A357-Q359 PolarHBondContact O-N 3.36Å; A357-V360 PolarHBondContact O-N 2.84Å; A357-A361 PolarHBondContact O-N 3.47Å; A357-I415 HydrophobicContact CB-CG1 4.36Å; A357-I415 HydrophobicContact CB-CG2 3.76Å; A357-Y418 HydrophobicContact CB-CD2 3.8Å; A357-Y418 HydrophobicContact CB-CG 4.43Å |
| 358 | H | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.3 | -46.8 | 175.6 | -176.8 | 80.3 | 0 | 0 | 0 | 111.9 | T304 P305 R309 S310 L354 Y355 V360 A361 L362 Y418 | T304-H358 HydrophobicContact CG2-CB 3.73Å; P305-H358 PolarHBondContact O-NE2 2.67Å; R309-H358 PolarHBondContact O-CE1 3.04Å; S310-H358 PolarHBondContact OG-CE1 3.45Å; L354-H358 VanDerWaalsContact O-CB 3.29Å; L354-H358 WeakPolarHBondContact O-CB 3.46Å; L354-H358 PolarHBondContact O-N 3.26Å; Y355-H358 PolarHBondContact O-N 3.06Å; H358-V360 VanDerWaalsContact C-N 3.29Å; H358-V360 PolarHBondContact O-N 3.48Å; H358-A361 WeakPolarHBondContact O-CB 3.21Å; H358-A361 PolarHBondContact O-N 3Å; H358-A361 VanDerWaalsContact O-N 3.12Å; H358-L362 WeakPolarHBondContact NE2-CD1 3.41Å; H358-L362 WeakPolarHBondContact O-CG 3.33Å; H358-L362 PolarHBondContact O-N 3.3Å; H358-Y418 HydrophobicContact CB-CD2 4.46Å; H358-Y418 HydrophobicContact CB-CE2 3.78Å; H358-Y418 AromaticContact ND1-CE2 3.94Å; H358-Y418 AromaticContact ND1-CZ 3.62Å; H358-Y418 PolarHBondContact ND1-OH 2.9Å |
| 359 | Q | 93.7 | Very high | 92.7 | Very high | 58 Ų | 58 | 53.9 Ų | 53.9 | 27% | 0.271 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58 | -39.5 | 176.3 | -76.1 | -169 | -44.9 | 0 | 0 | 113.1 | R351 Y355 K356 A357 N363 | R351-Q359 VanDerWaalsContact CD-OE1 3.3Å; Y355-Q359 HydrophobicContact CD1-CG 3.98Å; Y355-Q359 HydrophobicContact CE1-CG 3.71Å; Y355-Q359 WeakPolarHBondContact O-CG 3.26Å; Y355-Q359 PolarHBondContact O-N 3.45Å; K356-Q359 PolarHBondContact O-N 3.3Å; A357-Q359 PolarHBondContact O-N 3.36Å; Q359-N363 PolarHBondContact O-N 3.46Å; Q359-N363 PolarHBondContact O-ND2 3.16Å |
| 360 | V | 91.3 | Very high | 92.2 | Very high | 85 Ų | 85 | 57.2 Ų | 57.2 | 52% | 0.515 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 176.4 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | K356 A357 H358 N363 T364 | K356-V360 WeakPolarHBondContact O-CG2 3.25Å; K356-V360 PolarHBondContact O-N 3.26Å; A357-V360 PolarHBondContact O-N 2.84Å; H358-V360 VanDerWaalsContact C-N 3.29Å; H358-V360 PolarHBondContact O-N 3.48Å; V360-N363 PolarHBondContact O-N 2.94Å; V360-T364 PolarHBondContact O-N 2.87Å; V360-T364 PolarHBondContact O-OG1 3.07Å |
| 361 | A | 90.6 | Very high | 91.6 | Very high | 9 Ų | 9 | 61.7 Ų | 61.7 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | A357 H358 N363 T364 M365 Y418 | A357-A361 PolarHBondContact O-N 3.47Å; H358-A361 WeakPolarHBondContact O-CB 3.21Å; H358-A361 PolarHBondContact O-N 3Å; H358-A361 VanDerWaalsContact O-N 3.12Å; A361-N363 PolarHBondContact O-N 3.2Å; A361-T364 CarbonylContact O-C 3.59Å; A361-T364 WeakPolarHBondContact O-CA 3.33Å; A361-T364 WeakPolarHBondContact O-CB 3.25Å; A361-T364 PolarHBondContact O-N 3.4Å; A361-T364 VanDerWaalsContact O-N 3.07Å; A361-M365 WeakPolarHBondContact O-CG 3.35Å; A361-M365 PolarHBondContact O-N 3.14Å; A361-Y418 HydrophobicContact CB-CD1 3.25Å; A361-Y418 HydrophobicContact CB-CD2 4.44Å; A361-Y418 HydrophobicContact CB-CE1 3.57Å; A361-Y418 HydrophobicContact CB-CG 3.73Å |
| 362 | L | 88.6 | Confident | 91 | Very high | 26 Ų | 26 | 57.5 Ų | 57.5 | 14% | 0.136 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.7 | -43 | 177 | -64.2 | -179 | 0 | 0 | 0 | 112.3 | R309 H358 T364 M365 E366 | R309-L362 HydrophobicContact CB-CD2 3.76Å; R309-L362 HydrophobicContact CG-CD2 4.37Å; R309-L362 PolarHBondContact NH2-O 3.34Å; H358-L362 WeakPolarHBondContact NE2-CD1 3.41Å; H358-L362 WeakPolarHBondContact O-CG 3.33Å; H358-L362 PolarHBondContact O-N 3.3Å; L362-T364 VanDerWaalsContact C-N 3.27Å; L362-T364 PolarHBondContact O-N 3.07Å; L362-M365 HydrophobicContact CD2-SD 4.29Å; L362-M365 PolarHBondContact O-N 3.49Å; L362-E366 WeakPolarHBondContact O-CG 3.46Å; L362-E366 PolarHBondContact O-N 3.13Å; L362-E366 VanDerWaalsContact O-N 3.13Å |
| 363 | N | 87.8 | Confident | 90.5 | Very high | 97 Ų | 97 | 62 Ų | 62 | 52% | 0.519 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.4 | -36 | 174.9 | -76 | -35.6 | 0 | 0 | 0 | 111.6 | Q359 V360 A361 E366 T367 | Q359-N363 PolarHBondContact O-N 3.46Å; Q359-N363 PolarHBondContact O-ND2 3.16Å; V360-N363 PolarHBondContact O-N 2.94Å; A361-N363 PolarHBondContact O-N 3.2Å; N363-E366 PolarHBondContact O-N 2.66Å; N363-T367 WeakPolarHBondContact O-CG2 3.26Å; N363-T367 PolarHBondContact O-N 3.05Å; N363-T367 PolarHBondContact O-OG1 2.71Å |
| 364 | T | 85.6 | Confident | 90 | Very high | 48 Ų | 48 | 60.5 Ų | 60.5 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.8 | -42.6 | 176.8 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | V360 A361 L362 E366 T367 K368 | V360-T364 PolarHBondContact O-N 2.87Å; V360-T364 PolarHBondContact O-OG1 3.07Å; A361-T364 CarbonylContact O-C 3.59Å; A361-T364 WeakPolarHBondContact O-CA 3.33Å; A361-T364 WeakPolarHBondContact O-CB 3.25Å; A361-T364 PolarHBondContact O-N 3.4Å; A361-T364 VanDerWaalsContact O-N 3.07Å; L362-T364 VanDerWaalsContact C-N 3.27Å; L362-T364 PolarHBondContact O-N 3.07Å; T364-E366 PolarHBondContact O-N 3.06Å; T364-T367 PolarHBondContact O-N 2.68Å; T364-T367 PolarHBondContact O-OG1 2.77Å; T364-K368 CarbonylContact O-C 3.5Å; T364-K368 WeakPolarHBondContact O-CA 3.47Å; T364-K368 PolarHBondContact O-N 3.13Å |
| 365 | M | 85.3 | Confident | 89.6 | Confident | 28 Ų | 28 | 62.3 Ų | 62.3 | 14% | 0.138 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.4 | -34.7 | 174 | -67.7 | 170.7 | -177.4 | 0 | 0 | 112.8 | A361 L362 P369 G372 Y376 | A361-M365 WeakPolarHBondContact O-CG 3.35Å; A361-M365 PolarHBondContact O-N 3.14Å; L362-M365 HydrophobicContact CD2-SD 4.29Å; L362-M365 PolarHBondContact O-N 3.49Å; M365-P369 WeakPolarHBondContact O-CA 3.22Å; M365-G372 VanDerWaalsContact CG-CA 3.49Å; M365-Y376 HydrophobicContact CE-CD2 4.48Å |
| 366 | E | 85.5 | Confident | 89.2 | Confident | 124 Ų | 124 | 64.4 Ų | 64.4 | 58% | 0.579 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -76.9 | -33.5 | 178.9 | -72.6 | 169.4 | -160.5 | 0 | 0 | 112.9 | R309 L362 N363 T364 | R309-E366 IonicContact CZ-OE1 3.72Å; R309-E366 IonicContact NH1-OE1 2.77Å; R309-E366 PolarHBondContact NH1-OE1 3.24Å; R309-E366 IonicContact NH2-OE1 2.95Å; L362-E366 WeakPolarHBondContact O-CG 3.46Å; L362-E366 PolarHBondContact O-N 3.13Å; L362-E366 VanDerWaalsContact O-N 3.13Å; N363-E366 PolarHBondContact O-N 2.66Å; T364-E366 PolarHBondContact O-N 3.06Å |
| 367 | T | 89.1 | Confident | 89 | Confident | 109 Ų | 109 | 64.3 Ų | 64.3 | 67% | 0.669 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -91.9 | -26.4 | -177.6 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | N363 T364 | N363-T367 WeakPolarHBondContact O-CG2 3.26Å; N363-T367 PolarHBondContact O-N 3.05Å; N363-T367 PolarHBondContact O-OG1 2.71Å; T364-T367 PolarHBondContact O-N 2.68Å; T364-T367 PolarHBondContact O-OG1 2.77Å |
| 368 | K | 89.8 | Confident | 88.8 | Confident | 100 Ų | 100 | 67.1 Ų | 67.1 | 44% | 0.435 | 36% | 0.363 | S | S | . | . | trans | -139.1 | 79.8 | -179.5 | -60.5 | -171 | -175.8 | -175.9 | 0 | 110.7 | T364 D370 E371 G372 | T364-K368 CarbonylContact O-C 3.5Å; T364-K368 WeakPolarHBondContact O-CA 3.47Å; T364-K368 PolarHBondContact O-N 3.13Å; K368-D370 VanDerWaalsContact C-N 3.34Å; K368-D370 PolarHBondContact O-N 3.38Å; K368-E371 HydrophobicContact CB-CB 4.24Å; K368-E371 HydrophobicContact CD-CG 4.35Å; K368-E371 WeakPolarHBondContact CD-OE1 3.31Å; K368-E371 WeakPolarHBondContact CD-OE2 3.17Å; K368-E371 IonicContact NZ-OE1 3.79Å; K368-E371 PolarHBondContact NZ-OE1 2.86Å; K368-E371 IonicContact NZ-OE2 2.9Å; K368-E371 PolarHBondContact NZ-OE2 3.01Å; K368-E371 PolarHBondContact O-N 2.98Å; K368-G372 PolarHBondContact O-N 3.03Å | ||
| 369 | P | 86.5 | Confident | 88.7 | Confident | 83 Ų | 83 | 67.2 Ų | 67.2 | 54% | 0.539 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.6 | -39.8 | -171.4 | -27.8 | 36.3 | 0 | 0 | 0 | 114.6 | M365 G372 L373 | M365-P369 WeakPolarHBondContact O-CA 3.22Å; P369-G372 PolarHBondContact O-N 3.49Å; P369-L373 VanDerWaalsContact O-CB 3.28Å; P369-L373 WeakPolarHBondContact O-CB 3.47Å; P369-L373 PolarHBondContact O-N 3.24Å |
| 370 | D | 88.2 | Confident | 88.8 | Confident | 144 Ų | 144 | 67.1 Ų | 67.1 | 77% | 0.77 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -68.5 | -43.5 | -177.3 | -61.2 | -25.9 | 0 | 0 | 0 | 112.4 | K368 A374 | K368-D370 VanDerWaalsContact C-N 3.34Å; K368-D370 PolarHBondContact O-N 3.38Å; D370-A374 PolarHBondContact O-N 3.3Å |
| 371 | E | 84.8 | Confident | 89 | Confident | 105 Ų | 105 | 67.6 Ų | 67.6 | 49% | 0.491 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 175.2 | -71.1 | 179.5 | -154.5 | 0 | 0 | 110.4 | K368 A374 V375 | K368-E371 HydrophobicContact CB-CB 4.24Å; K368-E371 HydrophobicContact CD-CG 4.35Å; K368-E371 WeakPolarHBondContact CD-OE1 3.31Å; K368-E371 WeakPolarHBondContact CD-OE2 3.17Å; K368-E371 IonicContact NZ-OE1 3.79Å; K368-E371 PolarHBondContact NZ-OE1 2.86Å; K368-E371 IonicContact NZ-OE2 2.9Å; K368-E371 PolarHBondContact NZ-OE2 3.01Å; K368-E371 PolarHBondContact O-N 2.98Å; E371-A374 PolarHBondContact O-N 3.46Å; E371-V375 PolarHBondContact O-N 3.26Å |
| 372 | G | 84.8 | Confident | 89.2 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | M365 K368 P369 V375 Y376 | M365-G372 VanDerWaalsContact CG-CA 3.49Å; K368-G372 PolarHBondContact O-N 3.03Å; P369-G372 PolarHBondContact O-N 3.49Å; G372-V375 PolarHBondContact O-N 3.35Å; G372-Y376 WeakPolarHBondContact O-CB 3.18Å; G372-Y376 PolarHBondContact O-N 2.95Å |
| 373 | L | 86.3 | Confident | 89.6 | Confident | 98 Ų | 98 | 67.4 Ų | 67.4 | 51% | 0.513 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 176.9 | -174.7 | 65.8 | 0 | 0 | 0 | 111 | P369 V375 Y376 D377 | P369-L373 VanDerWaalsContact O-CB 3.28Å; P369-L373 WeakPolarHBondContact O-CB 3.47Å; P369-L373 PolarHBondContact O-N 3.24Å; L373-V375 PolarHBondContact O-N 2.91Å; L373-Y376 WeakPolarHBondContact O-CB 3.44Å; L373-Y376 PolarHBondContact O-N 2.68Å; L373-Y376 VanDerWaalsContact O-N 3.16Å; L373-D377 PolarHBondContact O-N 2.94Å |
| 374 | A | 88.7 | Confident | 90.1 | Very high | 50 Ų | 50 | 65.3 Ų | 65.3 | 41% | 0.413 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D370 E371 D377 I378 | D370-A374 PolarHBondContact O-N 3.3Å; E371-A374 PolarHBondContact O-N 3.46Å; A374-D377 PolarHBondContact O-N 2.89Å; A374-I378 WeakPolarHBondContact O-CD1 3.4Å; A374-I378 VanDerWaalsContact O-CG1 3.29Å; A374-I378 WeakPolarHBondContact O-CG1 3.26Å; A374-I378 PolarHBondContact O-N 2.89Å; A374-I378 VanDerWaalsContact O-N 3.15Å |
| 375 | V | 88.7 | Confident | 90.5 | Very high | 39 Ų | 39 | 68.3 Ų | 68.3 | 24% | 0.236 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 174.6 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | E371 G372 L373 D377 I378 L379 F417 Y418 | E371-V375 PolarHBondContact O-N 3.26Å; G372-V375 PolarHBondContact O-N 3.35Å; L373-V375 PolarHBondContact O-N 2.91Å; V375-D377 PolarHBondContact O-N 3.48Å; V375-I378 PolarHBondContact O-N 3.43Å; V375-L379 HydrophobicContact CG1-CD1 4.11Å; V375-L379 WeakPolarHBondContact O-CG 3.31Å; V375-L379 PolarHBondContact O-N 3.04Å; V375-L379 VanDerWaalsContact O-N 3.08Å; V375-F417 HydrophobicContact CG1-CB 4.48Å; V375-Y418 HydrophobicContact CG1-CD1 4.14Å; V375-Y418 HydrophobicContact CG1-CE1 4.42Å |
| 376 | Y | 89.7 | Confident | 90.9 | Very high | 54 Ų | 54 | 67.2 Ų | 67.2 | 21% | 0.212 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 178.2 | -177.4 | -107.2 | 0 | 0 | 0 | 111.9 | S308 M365 G372 L373 I378 L379 R380 | S308-Y376 PolarHBondContact O-OH 3.05Å; M365-Y376 HydrophobicContact CE-CD2 4.48Å; G372-Y376 WeakPolarHBondContact O-CB 3.18Å; G372-Y376 PolarHBondContact O-N 2.95Å; L373-Y376 WeakPolarHBondContact O-CB 3.44Å; L373-Y376 PolarHBondContact O-N 2.68Å; L373-Y376 VanDerWaalsContact O-N 3.16Å; Y376-I378 VanDerWaalsContact C-N 3.34Å; Y376-I378 PolarHBondContact O-N 3.41Å; Y376-L379 PolarHBondContact O-N 3.18Å; Y376-L379 VanDerWaalsContact O-N 3.15Å; Y376-R380 HydrophobicContact CD1-CG 4.01Å; Y376-R380 HydrophobicContact CE1-CG 3.69Å; Y376-R380 HydrophobicContact CE2-CG 4.37Å; Y376-R380 WeakPolarHBondContact O-CG 3.43Å; Y376-R380 PolarHBondContact O-N 2.94Å |
| 377 | D | 91.9 | Very high | 91.3 | Very high | 79 Ų | 79 | 61.8 Ų | 61.8 | 42% | 0.422 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 178.5 | -69.8 | -19.5 | 0 | 0 | 0 | 111.6 | L373 A374 V375 L379 R380 D381 | L373-D377 PolarHBondContact O-N 2.94Å; A374-D377 PolarHBondContact O-N 2.89Å; V375-D377 PolarHBondContact O-N 3.48Å; D377-L379 VanDerWaalsContact C-N 3.32Å; D377-L379 PolarHBondContact O-N 2.85Å; D377-R380 WeakPolarHBondContact O-CB 3.41Å; D377-R380 PolarHBondContact O-N 3.06Å; D377-D381 PolarHBondContact O-N 3.27Å |
| 378 | I | 93 | Very high | 91.6 | Very high | 71 Ų | 71 | 60.3 Ų | 60.3 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.1 | -42.2 | 174.9 | -68.4 | 164.9 | 0 | 0 | 0 | 111.5 | A374 V375 Y376 D381 L382 F417 | A374-I378 WeakPolarHBondContact O-CD1 3.4Å; A374-I378 VanDerWaalsContact O-CG1 3.29Å; A374-I378 WeakPolarHBondContact O-CG1 3.26Å; A374-I378 PolarHBondContact O-N 2.89Å; A374-I378 VanDerWaalsContact O-N 3.15Å; V375-I378 PolarHBondContact O-N 3.43Å; Y376-I378 VanDerWaalsContact C-N 3.34Å; Y376-I378 PolarHBondContact O-N 3.41Å; I378-D381 PolarHBondContact O-N 3.36Å; I378-L382 PolarHBondContact O-N 3.15Å; I378-F417 HydrophobicContact CG2-CD1 3.87Å; I378-F417 HydrophobicContact CG2-CD2 4.03Å; I378-F417 HydrophobicContact CG2-CE1 3.58Å; I378-F417 HydrophobicContact CG2-CE2 3.71Å; I378-F417 HydrophobicContact CG2-CG 4.11Å; I378-F417 HydrophobicContact CG2-CZ 3.49Å; I378-F417 VanDerWaalsContact CG2-CZ 3.49Å |
| 379 | L | 94 | Very high | 91.7 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.4 | -38.1 | 177.6 | -66.7 | 174.5 | 0 | 0 | 0 | 111.5 | I311 V375 Y376 D377 D381 L382 E383 E414 F417 Y418 | I311-L379 HydrophobicContact CD1-CB 4.27Å; I311-L379 HydrophobicContact CD1-CD2 4.13Å; I311-L379 HydrophobicContact CG2-CB 3.73Å; I311-L379 WeakPolarHBondContact CG2-O 3.42Å; V375-L379 HydrophobicContact CG1-CD1 4.11Å; V375-L379 WeakPolarHBondContact O-CG 3.31Å; V375-L379 PolarHBondContact O-N 3.04Å; V375-L379 VanDerWaalsContact O-N 3.08Å; Y376-L379 PolarHBondContact O-N 3.18Å; Y376-L379 VanDerWaalsContact O-N 3.15Å; D377-L379 VanDerWaalsContact C-N 3.32Å; D377-L379 PolarHBondContact O-N 2.85Å; L379-D381 VanDerWaalsContact C-N 3.3Å; L379-D381 PolarHBondContact O-N 2.96Å; L379-L382 WeakPolarHBondContact O-CB 3.34Å; L379-L382 PolarHBondContact O-N 3Å; L379-E383 PolarHBondContact O-N 2.96Å; L379-E414 HydrophobicContact CD1-CG 4.39Å; L379-E414 HydrophobicContact CD2-CB 4.12Å; L379-E414 HydrophobicContact CD2-CG 3.97Å; L379-F417 HydrophobicContact CD2-CB 4.1Å; L379-F417 HydrophobicContact CD2-CD2 3.99Å; L379-F417 HydrophobicContact CD2-CG 4.43Å; L379-Y418 HydrophobicContact CD1-CD1 4.16Å; L379-Y418 HydrophobicContact CD1-CE1 3.35Å |
| 380 | R | 95.3 | Very high | 92 | Very high | 55 Ų | 55 | 56.1 Ų | 56.1 | 21% | 0.208 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 172.6 | -69.5 | -56.8 | -54.1 | 139.5 | 4.7 | 111.3 | Y376 D377 L382 E383 S384 | Y376-R380 HydrophobicContact CD1-CG 4.01Å; Y376-R380 HydrophobicContact CE1-CG 3.69Å; Y376-R380 HydrophobicContact CE2-CG 4.37Å; Y376-R380 WeakPolarHBondContact O-CG 3.43Å; Y376-R380 PolarHBondContact O-N 2.94Å; D377-R380 WeakPolarHBondContact O-CB 3.41Å; D377-R380 PolarHBondContact O-N 3.06Å; R380-L382 VanDerWaalsContact C-N 3.33Å; R380-L382 PolarHBondContact O-N 3.23Å; R380-E383 IonicContact CZ-OE1 3.68Å; R380-E383 IonicContact NH1-OE1 2.7Å; R380-E383 PolarHBondContact NH1-OE1 3.35Å; R380-E383 IonicContact NH1-OE2 3.48Å; R380-E383 PolarHBondContact NH1-OE2 2.93Å; R380-E383 IonicContact NH2-OE1 2.8Å; R380-E383 PolarHBondContact NH2-OE1 3.19Å; R380-E383 PolarHBondContact O-N 3.45Å; R380-S384 PolarHBondContact O-N 3.43Å; R380-S384 PolarHBondContact O-OG 3.43Å |
| 381 | D | 95.6 | Very high | 92.2 | Very high | 96 Ų | 96 | 52 Ų | 52 | 51% | 0.513 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 176.4 | -73.2 | -16.2 | 0 | 0 | 0 | 111.4 | D377 I378 L379 S384 Q385 | D377-D381 PolarHBondContact O-N 3.27Å; I378-D381 PolarHBondContact O-N 3.36Å; L379-D381 VanDerWaalsContact C-N 3.3Å; L379-D381 PolarHBondContact O-N 2.96Å; D381-S384 PolarHBondContact O-N 3.29Å; D381-Q385 WeakPolarHBondContact O-CB 3.04Å; D381-Q385 VanDerWaalsContact O-CG 3.26Å; D381-Q385 WeakPolarHBondContact O-CG 3.21Å; D381-Q385 PolarHBondContact O-N 3.01Å |
| 382 | L | 95.2 | Very high | 92.5 | Very high | 27 Ų | 27 | 47.9 Ų | 47.9 | 14% | 0.141 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 173.5 | 178.2 | 65.7 | 0 | 0 | 0 | 111.9 | I311 I378 L379 R380 S384 Q385 C386 T413 | I311-L382 HydrophobicContact CD1-CD2 3.92Å; I378-L382 PolarHBondContact O-N 3.15Å; L379-L382 WeakPolarHBondContact O-CB 3.34Å; L379-L382 PolarHBondContact O-N 3Å; R380-L382 VanDerWaalsContact C-N 3.33Å; R380-L382 PolarHBondContact O-N 3.23Å; L382-S384 PolarHBondContact O-N 3.27Å; L382-Q385 PolarHBondContact O-N 3.36Å; L382-C386 PolarHBondContact O-N 3.34Å; L382-C386 PolarHBondContact O-SG 3.12Å; L382-T413 HydrophobicContact CD2-CG2 3.86Å |
| 383 | E | 97.1 | Very high | 92.8 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 175.5 | -177.7 | -176.8 | 100.5 | 0 | 0 | 111.5 | R266 I311 F312 L379 R380 Q385 C386 L387 | R266-E383 IonicContact CZ-OE1 3.81Å; R266-E383 IonicContact CZ-OE2 2.74Å; R266-E383 IonicContact NH1-OE1 3.15Å; R266-E383 PolarHBondContact NH1-OE1 2.74Å; R266-E383 IonicContact NH1-OE2 3.35Å; R266-E383 IonicContact NH2-OE1 3.29Å; R266-E383 PolarHBondContact NH2-OE1 3.28Å; R266-E383 IonicContact NH2-OE2 2.69Å; R266-E383 PolarHBondContact NH2-OE2 3.37Å; I311-E383 WeakPolarHBondContact CA-OE2 3.41Å; I311-E383 HydrophobicContact CB-CB 4.26Å; I311-E383 HydrophobicContact CG2-CB 4.4Å; F312-E383 HydrophobicContact CB-CG 4.4Å; F312-E383 WeakPolarHBondContact CB-OE2 3.45Å; F312-E383 PolarHBondContact N-OE2 3.49Å; L379-E383 PolarHBondContact O-N 2.96Å; R380-E383 IonicContact CZ-OE1 3.68Å; R380-E383 IonicContact NH1-OE1 2.7Å; R380-E383 PolarHBondContact NH1-OE1 3.35Å; R380-E383 IonicContact NH1-OE2 3.48Å; R380-E383 PolarHBondContact NH1-OE2 2.93Å; R380-E383 IonicContact NH2-OE1 2.8Å; R380-E383 PolarHBondContact NH2-OE1 3.19Å; R380-E383 PolarHBondContact O-N 3.45Å; E383-Q385 VanDerWaalsContact C-N 3.33Å; E383-Q385 PolarHBondContact O-N 2.58Å; E383-C386 PolarHBondContact O-N 3.24Å; E383-L387 HydrophobicContact CG-CD1 3.95Å; E383-L387 WeakPolarHBondContact O-CG 3.46Å; E383-L387 PolarHBondContact O-N 2.77Å |
| 384 | S | 96.6 | Very high | 93.1 | Very high | 54 Ų | 54 | 44.7 Ų | 44.7 | 38% | 0.378 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.4 | -35.9 | 179.7 | -72.1 | 0 | 0 | 0 | 0 | 113 | R380 D381 L382 S388 | R380-S384 PolarHBondContact O-N 3.43Å; R380-S384 PolarHBondContact O-OG 3.43Å; D381-S384 PolarHBondContact O-N 3.29Å; L382-S384 PolarHBondContact O-N 3.27Å; S384-S388 WeakPolarHBondContact O-CB 3.37Å; S384-S388 PolarHBondContact O-N 3.3Å; S384-S388 VanDerWaalsContact O-N 3.08Å; S384-S388 PolarHBondContact O-OG 3.17Å |
| 385 | Q | 94.1 | Very high | 93.2 | Very high | 110 Ų | 110 | 45.5 Ų | 45.5 | 51% | 0.514 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.8 | -48.7 | 172.8 | -73.8 | 168.3 | 16 | 0 | 0 | 111 | D381 L382 E383 L387 S388 E389 | D381-Q385 WeakPolarHBondContact O-CB 3.04Å; D381-Q385 VanDerWaalsContact O-CG 3.26Å; D381-Q385 WeakPolarHBondContact O-CG 3.21Å; D381-Q385 PolarHBondContact O-N 3.01Å; L382-Q385 PolarHBondContact O-N 3.36Å; E383-Q385 VanDerWaalsContact C-N 3.33Å; E383-Q385 PolarHBondContact O-N 2.58Å; Q385-L387 VanDerWaalsContact C-N 3.32Å; Q385-L387 PolarHBondContact O-N 3.21Å; Q385-S388 WeakPolarHBondContact O-CB 3.43Å; Q385-S388 PolarHBondContact O-N 3.48Å; Q385-S388 VanDerWaalsContact O-N 3.07Å; Q385-E389 PolarHBondContact O-N 2.91Å |
| 386 | C | 93.9 | Very high | 93.1 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.034 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.8 | -44.5 | 177.7 | -65.5 | 0 | 0 | 0 | 0 | 112.1 | P314 L382 E383 S388 E389 I390 C410 | P314-C386 HydrophobicContact CG-CB 4.16Å; L382-C386 PolarHBondContact O-N 3.34Å; L382-C386 PolarHBondContact O-SG 3.12Å; E383-C386 PolarHBondContact O-N 3.24Å; C386-S388 VanDerWaalsContact C-N 3.31Å; C386-S388 PolarHBondContact O-N 3.13Å; C386-E389 PolarHBondContact O-N 3.45Å; C386-I390 WeakPolarHBondContact O-CB 3.48Å; C386-I390 WeakPolarHBondContact O-CD1 3.39Å; C386-I390 VanDerWaalsContact O-CG1 3.32Å; C386-I390 WeakPolarHBondContact O-CG1 3.43Å; C386-I390 PolarHBondContact O-N 2.86Å; C386-C410 PolarHBondContact SG-SG 2.87Å |
| 387 | L | 95.4 | Very high | 92.9 | Very high | 11 Ų | 11 | 51.1 Ų | 51.1 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 176.4 | -76.4 | 162.1 | 0 | 0 | 0 | 112.4 | A258 E259 M262 F300 E383 Q385 S391 | A258-L387 HydrophobicContact CB-CD2 4.18Å; E259-L387 HydrophobicContact CG-CD1 3.62Å; E259-L387 HydrophobicContact CG-CD2 4.15Å; E259-L387 HydrophobicContact CG-CG 4.38Å; M262-L387 HydrophobicContact CE-CD2 3.91Å; M262-L387 HydrophobicContact SD-CD1 4.18Å; M262-L387 HydrophobicContact SD-CD2 4.4Å; F300-L387 HydrophobicContact CE1-CD2 3.82Å; F300-L387 HydrophobicContact CE1-CG 4.42Å; F300-L387 HydrophobicContact CZ-CD2 3.76Å; E383-L387 HydrophobicContact CG-CD1 3.95Å; E383-L387 WeakPolarHBondContact O-CG 3.46Å; E383-L387 PolarHBondContact O-N 2.77Å; Q385-L387 VanDerWaalsContact C-N 3.32Å; Q385-L387 PolarHBondContact O-N 3.21Å; L387-S391 WeakPolarHBondContact O-CB 3.45Å; L387-S391 PolarHBondContact O-N 2.69Å |
| 388 | S | 93.8 | Very high | 92.6 | Very high | 78 Ų | 78 | 50.2 Ų | 50.2 | 55% | 0.545 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.6 | -44.4 | 178.8 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | S384 Q385 C386 S391 A392 | S384-S388 WeakPolarHBondContact O-CB 3.37Å; S384-S388 PolarHBondContact O-N 3.3Å; S384-S388 VanDerWaalsContact O-N 3.08Å; S384-S388 PolarHBondContact O-OG 3.17Å; Q385-S388 WeakPolarHBondContact O-CB 3.43Å; Q385-S388 PolarHBondContact O-N 3.48Å; Q385-S388 VanDerWaalsContact O-N 3.07Å; C386-S388 VanDerWaalsContact C-N 3.31Å; C386-S388 PolarHBondContact O-N 3.13Å; S388-S391 PolarHBondContact O-N 2.97Å; S388-A392 PolarHBondContact O-N 2.67Å |
| 389 | E | 92.1 | Very high | 91.8 | Very high | 87 Ų | 87 | 50.4 Ų | 50.4 | 41% | 0.407 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 175.5 | -71 | 175.5 | -178.5 | 0 | 0 | 111.4 | Q385 C386 S391 A392 M393 I398 | Q385-E389 PolarHBondContact O-N 2.91Å; C386-E389 PolarHBondContact O-N 3.45Å; E389-S391 VanDerWaalsContact C-N 3.35Å; E389-S391 PolarHBondContact O-N 3.5Å; E389-A392 PolarHBondContact O-N 2.94Å; E389-M393 WeakPolarHBondContact O-CB 3.34Å; E389-M393 PolarHBondContact O-N 3.08Å; E389-I398 HydrophobicContact CB-CD1 4.46Å; E389-I398 WeakPolarHBondContact O-CD1 3.36Å |
| 390 | I | 93.2 | Very high | 90.7 | Very high | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.036 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61 | -43.3 | 175.1 | -79.4 | 161.3 | 0 | 0 | 0 | 111.8 | I298 F300 P314 C386 A392 M393 L394 L406 | I298-I390 HydrophobicContact CD1-CB 4.25Å; I298-I390 HydrophobicContact CD1-CG1 4.25Å; I298-I390 HydrophobicContact CD1-CG2 3.22Å; I298-I390 HydrophobicContact CG2-CD1 3.91Å; I298-I390 HydrophobicContact CG2-CG1 4.41Å; I298-I390 HydrophobicContact CG2-CG2 4.37Å; F300-I390 HydrophobicContact CE1-CD1 3.53Å; F300-I390 HydrophobicContact CZ-CD1 3.49Å; F300-I390 VanDerWaalsContact CZ-CD1 3.49Å; F300-I390 HydrophobicContact CZ-CG2 4.28Å; P314-I390 HydrophobicContact CB-CD1 3.38Å; P314-I390 HydrophobicContact CG-CD1 3.79Å; C386-I390 WeakPolarHBondContact O-CB 3.48Å; C386-I390 WeakPolarHBondContact O-CD1 3.39Å; C386-I390 VanDerWaalsContact O-CG1 3.32Å; C386-I390 WeakPolarHBondContact O-CG1 3.43Å; C386-I390 PolarHBondContact O-N 2.86Å; I390-A392 VanDerWaalsContact C-N 3.34Å; I390-M393 PolarHBondContact O-N 3.15Å; I390-L394 HydrophobicContact CG2-CD1 4.17Å; I390-L394 WeakPolarHBondContact O-CG 3.41Å; I390-L394 PolarHBondContact O-N 3.19Å; I390-L406 HydrophobicContact CD1-CD2 4.26Å |
| 391 | S | 92.9 | Very high | 89.5 | Confident | 58 Ų | 58 | 56.8 Ų | 56.8 | 41% | 0.406 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 176.7 | -171.5 | 0 | 0 | 0 | 0 | 111.7 | L387 S388 E389 M393 L394 S395 | L387-S391 WeakPolarHBondContact O-CB 3.45Å; L387-S391 PolarHBondContact O-N 2.69Å; S388-S391 PolarHBondContact O-N 2.97Å; E389-S391 VanDerWaalsContact C-N 3.35Å; E389-S391 PolarHBondContact O-N 3.5Å; S391-M393 VanDerWaalsContact C-N 3.31Å; S391-L394 PolarHBondContact O-N 2.87Å; S391-S395 PolarHBondContact O-N 3.5Å; S391-S395 PolarHBondContact O-OG 3Å |
| 392 | A | 91.4 | Very high | 88 | Confident | 18 Ų | 18 | 59.6 Ų | 59.6 | 15% | 0.149 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.2 | -35.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S388 E389 I390 S395 G396 E397 I398 | S388-A392 PolarHBondContact O-N 2.67Å; E389-A392 PolarHBondContact O-N 2.94Å; I390-A392 VanDerWaalsContact C-N 3.34Å; A392-S395 WeakPolarHBondContact CA-OG 3.45Å; A392-S395 PolarHBondContact O-N 3.13Å; A392-S395 PolarHBondContact O-OG 3.2Å; A392-G396 PolarHBondContact O-N 3.39Å; A392-E397 HydrophobicContact CB-CB 4.14Å; A392-E397 WeakPolarHBondContact O-CB 3.35Å; A392-E397 PolarHBondContact O-N 3.15Å; A392-I398 HydrophobicContact CB-CD1 4.28Å; A392-I398 HydrophobicContact CB-CG1 4.19Å; A392-I398 PolarHBondContact O-N 2.75Å |
| 393 | M | 91.2 | Very high | 87 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 4% | 0.044 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.2 | -45.2 | 175.7 | 179.9 | -95.6 | -53.3 | 0 | 0 | 111.5 | P296 I298 I316 E389 I390 S391 S395 G396 I398 L403 | P296-M393 HydrophobicContact CG-CE 4.21Å; P296-M393 HydrophobicContact CG-SD 3.78Å; I298-M393 HydrophobicContact CD1-CE 3.43Å; I298-M393 VanDerWaalsContact CD1-CE 3.43Å; I298-M393 HydrophobicContact CG1-CE 4.29Å; I316-M393 HydrophobicContact CD1-CE 3.98Å; E389-M393 WeakPolarHBondContact O-CB 3.34Å; E389-M393 PolarHBondContact O-N 3.08Å; I390-M393 PolarHBondContact O-N 3.15Å; S391-M393 VanDerWaalsContact C-N 3.31Å; M393-S395 VanDerWaalsContact C-N 3.27Å; M393-S395 PolarHBondContact O-N 3.43Å; M393-G396 PolarHBondContact O-N 3.37Å; M393-I398 HydrophobicContact CB-CD1 4.11Å; M393-I398 HydrophobicContact CB-CG1 3.74Å; M393-L403 HydrophobicContact CB-CD1 3.87Å; M393-L403 HydrophobicContact CE-CD1 3.67Å; M393-L403 HydrophobicContact CG-CD1 3.7Å; M393-L403 HydrophobicContact SD-CD1 4.37Å |
| 394 | L | 91.5 | Very high | 85.9 | Confident | 25 Ų | 25 | 60 Ų | 60 | 13% | 0.131 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.8 | -27.9 | 176.3 | -70.3 | 176 | 0 | 0 | 0 | 113 | V288 P290 L295 I298 I390 S391 G396 | V288-L394 HydrophobicContact CG1-CD1 4.25Å; P290-L394 HydrophobicContact CG-CD2 3.71Å; L295-L394 HydrophobicContact CB-CD2 4.29Å; L295-L394 HydrophobicContact CD1-CD2 4.31Å; I298-L394 HydrophobicContact CD1-CD1 3.8Å; I298-L394 HydrophobicContact CD1-CD2 4.04Å; I298-L394 HydrophobicContact CD1-CG 3.92Å; I390-L394 HydrophobicContact CG2-CD1 4.17Å; I390-L394 WeakPolarHBondContact O-CG 3.41Å; I390-L394 PolarHBondContact O-N 3.19Å; S391-L394 PolarHBondContact O-N 2.87Å; L394-G396 VanDerWaalsContact C-N 3.29Å |
| 395 | S | 90 | Very high | 85.4 | Confident | 67 Ų | 67 | 60.8 Ų | 60.8 | 47% | 0.469 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -5.2 | 173 | 67.2 | 0 | 0 | 0 | 0 | 113.9 | S391 A392 M393 E397 | S391-S395 PolarHBondContact O-N 3.5Å; S391-S395 PolarHBondContact O-OG 3Å; A392-S395 WeakPolarHBondContact CA-OG 3.45Å; A392-S395 PolarHBondContact O-N 3.13Å; A392-S395 PolarHBondContact O-OG 3.2Å; M393-S395 VanDerWaalsContact C-N 3.27Å; M393-S395 PolarHBondContact O-N 3.43Å; S395-E397 VanDerWaalsContact C-N 3.33Å; S395-E397 VanDerWaalsContact OG-CG 3.31Å; S395-E397 WeakPolarHBondContact OG-CG 3.41Å; S395-E397 PolarHBondContact OG-OE1 3.16Å |
| 396 | G | 86.4 | Confident | 85.2 | Confident | 63 Ų | 63 | 56.6 Ų | 56.6 | 65% | 0.649 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 15.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A392 M393 L394 | A392-G396 PolarHBondContact O-N 3.39Å; M393-G396 PolarHBondContact O-N 3.37Å; L394-G396 VanDerWaalsContact C-N 3.29Å |
| 397 | E | 87.3 | Confident | 85.3 | Confident | 149 Ų | 149 | 56.9 Ų | 56.9 | 70% | 0.696 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -74.2 | -29.6 | 176.2 | -70.4 | 168.7 | -139.1 | 0 | 0 | 112.4 | A392 S395 | A392-E397 HydrophobicContact CB-CB 4.14Å; A392-E397 WeakPolarHBondContact O-CB 3.35Å; A392-E397 PolarHBondContact O-N 3.15Å; S395-E397 VanDerWaalsContact C-N 3.33Å; S395-E397 VanDerWaalsContact OG-CG 3.31Å; S395-E397 WeakPolarHBondContact OG-CG 3.41Å; S395-E397 PolarHBondContact OG-OE1 3.16Å |
| 398 | I | 83.8 | Confident | 85.2 | Confident | 60 Ų | 60 | 59.6 Ų | 59.6 | 31% | 0.308 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -130.3 | 152 | 176.7 | 65.5 | 173.7 | 0 | 0 | 0 | 112 | E389 A392 M393 | E389-I398 HydrophobicContact CB-CD1 4.46Å; E389-I398 WeakPolarHBondContact O-CD1 3.36Å; A392-I398 HydrophobicContact CB-CD1 4.28Å; A392-I398 HydrophobicContact CB-CG1 4.19Å; A392-I398 PolarHBondContact O-N 2.75Å; M393-I398 HydrophobicContact CB-CD1 4.11Å; M393-I398 HydrophobicContact CB-CG1 3.74Å |
| 399 | P | 76.8 | Confident | 85.2 | Confident | 75 Ų | 75 | 59.8 Ų | 59.8 | 49% | 0.487 | 35% | 0.348 | S | S | . | . | trans | -66.4 | 143.6 | 175.8 | -16.1 | 30.5 | 0 | 0 | 0 | 112.5 | D401 | P399-D401 VanDerWaalsContact C-N 3.33Å; P399-D401 PolarHBondContact O-N 3.48Å | ||
| 400 | G | 71.6 | Confident | 85.4 | Confident | 36 Ų | 36 | 55.8 Ų | 55.8 | 37% | 0.371 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -76 | -17.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | E402 L403 | G400-E402 PolarHBondContact O-N 3.46Å; G400-E402 VanDerWaalsContact O-N 3.14Å; G400-L403 PolarHBondContact O-N 3.43Å |
| 401 | D | 69 | Low | 85.6 | Confident | 154 Ų | 154 | 55.5 Ų | 55.5 | 82% | 0.824 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -65.9 | -18.1 | -172.9 | -48.5 | -22.1 | 0 | 0 | 0 | 113.1 | P399 | P399-D401 VanDerWaalsContact C-N 3.33Å; P399-D401 PolarHBondContact O-N 3.48Å |
| 402 | E | 64.8 | Low | 85.7 | Confident | 156 Ų | 156 | 54.5 Ų | 54.5 | 73% | 0.729 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -87.8 | -4.2 | -174.9 | -62.1 | -174 | 175.1 | 0 | 0 | 113.8 | G400 | G400-E402 PolarHBondContact O-N 3.46Å; G400-E402 VanDerWaalsContact O-N 3.14Å |
| 403 | L | 73.9 | Confident | 85.9 | Confident | 12 Ų | 12 | 55.6 Ų | 55.6 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | trans | -105.8 | 3.7 | -170 | -56.5 | 176.1 | 0 | 0 | 0 | 114.8 | I316 M393 G400 D405 L406 | I316-L403 HydrophobicContact CD1-CB 3.91Å; I316-L403 HydrophobicContact CD1-CD1 4.15Å; M393-L403 HydrophobicContact CB-CD1 3.87Å; M393-L403 HydrophobicContact CE-CD1 3.67Å; M393-L403 HydrophobicContact CG-CD1 3.7Å; M393-L403 HydrophobicContact SD-CD1 4.37Å; G400-L403 PolarHBondContact O-N 3.43Å; L403-D405 PolarHBondContact O-N 2.89Å; L403-L406 HydrophobicContact CD2-CD2 4.2Å; L403-L406 WeakPolarHBondContact O-CB 3.16Å; L403-L406 PolarHBondContact O-N 3.4Å | ||
| 404 | G | 74.5 | Confident | 86.1 | Confident | 26 Ų | 26 | 55.2 Ų | 55.2 | 27% | 0.268 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -25.8 | -174 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 405 | D | 85.9 | Confident | 86.3 | Confident | 70 Ų | 70 | 54 Ų | 54 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 6.5 | -178.4 | -69.5 | -37.6 | 0 | 0 | 0 | 113.5 | T322 L403 F407 F408 D409 | T322-D405 WeakPolarHBondContact CB-OD1 3.5Å; T322-D405 PolarHBondContact OG1-OD1 2.79Å; L403-D405 PolarHBondContact O-N 2.89Å; D405-F407 VanDerWaalsContact C-N 3.26Å; D405-F407 PolarHBondContact O-N 3Å; D405-F407 VanDerWaalsContact O-N 3.16Å; D405-F408 WeakPolarHBondContact O-CA 3.09Å; D405-F408 WeakPolarHBondContact O-CB 3.39Å; D405-F408 PolarHBondContact O-N 3.42Å; D405-D409 PolarHBondContact O-N 3.37Å |
| 406 | L | 90.3 | Very high | 86.5 | Confident | 22 Ų | 22 | 56.5 Ų | 56.5 | 12% | 0.115 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.3 | -36.4 | -172.4 | -164.2 | 61.7 | 0 | 0 | 0 | 112.6 | P314 I390 L403 F408 D409 C410 | P314-L406 HydrophobicContact CB-CD2 4.08Å; P314-L406 HydrophobicContact CG-CB 4.2Å; P314-L406 HydrophobicContact CG-CD2 3.19Å; P314-L406 HydrophobicContact CG-CG 3.49Å; P314-L406 VanDerWaalsContact CG-CG 3.49Å; I390-L406 HydrophobicContact CD1-CD2 4.26Å; L403-L406 HydrophobicContact CD2-CD2 4.2Å; L403-L406 WeakPolarHBondContact O-CB 3.16Å; L403-L406 PolarHBondContact O-N 3.4Å; L406-F408 PolarHBondContact O-N 2.87Å; L406-D409 PolarHBondContact O-N 2.95Å; L406-C410 WeakPolarHBondContact O-CB 3.38Å; L406-C410 PolarHBondContact O-N 3.32Å; L406-C410 PolarHBondContact O-SG 3.19Å |
| 407 | F | 94.9 | Very high | 86.8 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 5% | 0.053 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62 | -44.2 | 175.2 | -169.5 | -117.3 | 0 | 0 | 0 | 111.8 | V39 F301 A303 K313 P314 F315 V324 V327 D405 V411 | V39-F407 HydrophobicContact CB-CE1 4.28Å; V39-F407 HydrophobicContact CB-CZ 3.85Å; V39-F407 HydrophobicContact CG1-CE1 3.96Å; V39-F407 HydrophobicContact CG1-CE2 4.44Å; V39-F407 HydrophobicContact CG1-CZ 3.66Å; V39-F407 HydrophobicContact CG2-CZ 4.33Å; F301-F407 HydrophobicContact CB-CE2 4.2Å; A303-F407 HydrophobicContact CB-CZ 4.43Å; K313-F407 HydrophobicContact CB-CD2 3.73Å; K313-F407 HydrophobicContact CB-CE2 3.76Å; P314-F407 WeakPolarHBondContact O-CA 2.98Å; P314-F407 WeakPolarHBondContact O-CB 3.46Å; P314-F407 PolarHBondContact O-N 3.18Å; P314-F407 VanDerWaalsContact O-N 3.08Å; F315-F407 HydrophobicContact CB-CB 4.22Å; F315-F407 HydrophobicContact CB-CD2 4.32Å; F315-F407 HydrophobicContact CB-CG 4.27Å; F315-F407 HydrophobicContact CD2-CB 4.17Å; F315-F407 HydrophobicContact CD2-CD1 4.39Å; F315-F407 HydrophobicContact CD2-CG 4.33Å; V324-F407 HydrophobicContact CB-CD1 4.06Å; V324-F407 HydrophobicContact CB-CE1 4.11Å; V324-F407 HydrophobicContact CG1-CD1 4.28Å; V324-F407 HydrophobicContact CG1-CE1 4.19Å; V324-F407 HydrophobicContact CG2-CD1 3.59Å; V324-F407 HydrophobicContact CG2-CE1 4.16Å; V327-F407 HydrophobicContact CG2-CE1 3.97Å; V327-F407 HydrophobicContact CG2-CZ 4.36Å; D405-F407 VanDerWaalsContact C-N 3.26Å; D405-F407 PolarHBondContact O-N 3Å; D405-F407 VanDerWaalsContact O-N 3.16Å; F407-V411 HydrophobicContact CE1-CG2 4.28Å; F407-V411 HydrophobicContact CE2-CG2 4.36Å; F407-V411 HydrophobicContact CZ-CG2 4.12Å; F407-V411 VanDerWaalsContact O-CG2 3.31Å; F407-V411 WeakPolarHBondContact O-CG2 3.45Å; F407-V411 PolarHBondContact O-N 3.16Å; F407-V411 VanDerWaalsContact O-N 3.1Å |
| 408 | F | 94.8 | Very high | 86.9 | Confident | 67 Ų | 67 | 51.4 Ų | 51.4 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.4 | -49.6 | 178.1 | 172.1 | -92.9 | 0 | 0 | 0 | 110.6 | T322 V324 D405 L406 C410 V411 D412 | T322-F408 HydrophobicContact CG2-CB 4.17Å; T322-F408 HydrophobicContact CG2-CD1 4.38Å; T322-F408 HydrophobicContact CG2-CD2 3.6Å; T322-F408 HydrophobicContact CG2-CE2 4.07Å; T322-F408 HydrophobicContact CG2-CG 3.78Å; V324-F408 HydrophobicContact CG1-CD2 4.47Å; V324-F408 HydrophobicContact CG2-CB 3.78Å; V324-F408 HydrophobicContact CG2-CD2 4.2Å; D405-F408 WeakPolarHBondContact O-CA 3.09Å; D405-F408 WeakPolarHBondContact O-CB 3.39Å; D405-F408 PolarHBondContact O-N 3.42Å; L406-F408 PolarHBondContact O-N 2.87Å; F408-C410 VanDerWaalsContact C-N 3.35Å; F408-C410 PolarHBondContact O-N 3.48Å; F408-V411 PolarHBondContact O-N 2.99Å; F408-D412 PolarHBondContact O-N 3.43Å |
| 409 | D | 93.8 | Very high | 86.8 | Confident | 82 Ų | 82 | 57.9 Ų | 57.9 | 44% | 0.439 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | -177.6 | -72.5 | -25.6 | 0 | 0 | 0 | 111.9 | D405 L406 D412 T413 | D405-D409 PolarHBondContact O-N 3.37Å; L406-D409 PolarHBondContact O-N 2.95Å; D409-D412 PolarHBondContact O-N 3.45Å; D409-T413 WeakPolarHBondContact O-CB 3.47Å; D409-T413 PolarHBondContact O-N 3.06Å; D409-T413 PolarHBondContact O-OG1 3.13Å |
| 410 | C | 95.9 | Very high | 87.3 | Confident | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.027 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 175.6 | -65.1 | 0 | 0 | 0 | 0 | 112.2 | K313 C386 L406 F408 T413 E414 | K313-C410 HydrophobicContact CB-CB 3.94Å; K313-C410 HydrophobicContact CD-CB 4.08Å; K313-C410 HydrophobicContact CG-CB 3.68Å; C386-C410 PolarHBondContact SG-SG 2.87Å; L406-C410 WeakPolarHBondContact O-CB 3.38Å; L406-C410 PolarHBondContact O-N 3.32Å; L406-C410 PolarHBondContact O-SG 3.19Å; F408-C410 VanDerWaalsContact C-N 3.35Å; F408-C410 PolarHBondContact O-N 3.48Å; C410-T413 PolarHBondContact O-N 3.34Å; C410-E414 VanDerWaalsContact O-CB 3.25Å; C410-E414 WeakPolarHBondContact O-CB 3.48Å; C410-E414 PolarHBondContact O-N 3.36Å |
| 411 | V | 97 | Very high | 88.1 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 177.3 | 166 | 0 | 0 | 0 | 0 | 111 | K313 V324 R326 V327 L354 F407 F408 I415 | K313-V411 HydrophobicContact CD-CG2 3.75Å; V324-V411 HydrophobicContact CG1-CB 3.9Å; V324-V411 HydrophobicContact CG1-CG1 3.82Å; V324-V411 HydrophobicContact CG1-CG2 3.95Å; R326-V411 HydrophobicContact CB-CG1 3.99Å; V327-V411 HydrophobicContact CG1-CG1 3.86Å; V327-V411 HydrophobicContact CG1-CG2 3.82Å; L354-V411 HydrophobicContact CD2-CG1 4.37Å; L354-V411 HydrophobicContact CD2-CG2 4.31Å; F407-V411 HydrophobicContact CE1-CG2 4.28Å; F407-V411 HydrophobicContact CE2-CG2 4.36Å; F407-V411 HydrophobicContact CZ-CG2 4.12Å; F407-V411 VanDerWaalsContact O-CG2 3.31Å; F407-V411 WeakPolarHBondContact O-CG2 3.45Å; F407-V411 PolarHBondContact O-N 3.16Å; F407-V411 VanDerWaalsContact O-N 3.1Å; F408-V411 PolarHBondContact O-N 2.99Å; V411-I415 HydrophobicContact CG1-CD1 3.97Å; V411-I415 WeakPolarHBondContact O-CD1 3.42Å; V411-I415 WeakPolarHBondContact O-CG1 3.42Å; V411-I415 PolarHBondContact O-N 3.21Å |
| 412 | D | 95.6 | Very high | 89.2 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 20% | 0.198 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.1 | -40.7 | -178.3 | -166.8 | 55.3 | 0 | 0 | 0 | 111.6 | R326 F408 D409 I415 K416 | R326-D412 IonicContact NH1-OD1 2.68Å; R326-D412 PolarHBondContact NH1-OD1 2.83Å; F408-D412 PolarHBondContact O-N 3.43Å; D409-D412 PolarHBondContact O-N 3.45Å; D412-I415 PolarHBondContact O-N 3.18Å; D412-K416 WeakPolarHBondContact O-CG 3.4Å; D412-K416 PolarHBondContact O-N 2.77Å; D412-K416 VanDerWaalsContact O-N 3.13Å; D412-K416 WeakPolarHBondContact OD2-CE 3.28Å; D412-K416 IonicContact OD2-NZ 3.55Å; D412-K416 PolarHBondContact OD2-NZ 2.75Å |
| 413 | T | 95.4 | Very high | 90.6 | Very high | 41 Ų | 41 | 46.7 Ų | 46.7 | 25% | 0.252 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.9 | -45.2 | 176.2 | -61.3 | 0 | 0 | 0 | 0 | 112.1 | L382 D409 C410 I415 K416 F417 | L382-T413 HydrophobicContact CD2-CG2 3.86Å; D409-T413 WeakPolarHBondContact O-CB 3.47Å; D409-T413 PolarHBondContact O-N 3.06Å; D409-T413 PolarHBondContact O-OG1 3.13Å; C410-T413 PolarHBondContact O-N 3.34Å; T413-I415 VanDerWaalsContact C-N 3.29Å; T413-I415 PolarHBondContact O-N 3.07Å; T413-K416 WeakPolarHBondContact O-CB 3.29Å; T413-K416 PolarHBondContact O-N 3.44Å; T413-K416 VanDerWaalsContact O-N 3.14Å; T413-F417 HydrophobicContact CG2-CD2 3.7Å; T413-F417 HydrophobicContact CG2-CE2 3.34Å; T413-F417 HydrophobicContact CG2-CZ 4.41Å; T413-F417 VanDerWaalsContact O-CD2 3.26Å; T413-F417 WeakPolarHBondContact O-CD2 3.47Å; T413-F417 PolarHBondContact O-N 3.05Å |
| 414 | E | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.8 | -42.7 | 177.6 | 178.9 | 175.8 | -148.8 | 0 | 0 | 111.5 | I311 K313 L354 L379 C410 K416 F417 Y418 | I311-E414 WeakPolarHBondContact CG1-OE1 3.46Å; K313-E414 WeakPolarHBondContact CD-OE2 3.09Å; K313-E414 WeakPolarHBondContact CE-OE2 3.4Å; K313-E414 VanDerWaalsContact NZ-CD 3.34Å; K313-E414 IonicContact NZ-OE1 3.4Å; K313-E414 PolarHBondContact NZ-OE1 3.37Å; K313-E414 IonicContact NZ-OE2 3.41Å; K313-E414 PolarHBondContact NZ-OE2 3.02Å; L354-E414 HydrophobicContact CD1-CB 4.48Å; L354-E414 HydrophobicContact CD1-CG 4Å; L354-E414 WeakPolarHBondContact CD1-OE2 3.48Å; L379-E414 HydrophobicContact CD1-CG 4.39Å; L379-E414 HydrophobicContact CD2-CB 4.12Å; L379-E414 HydrophobicContact CD2-CG 3.97Å; C410-E414 VanDerWaalsContact O-CB 3.25Å; C410-E414 WeakPolarHBondContact O-CB 3.48Å; C410-E414 PolarHBondContact O-N 3.36Å; E414-K416 VanDerWaalsContact C-N 3.35Å; E414-K416 PolarHBondContact O-N 3.25Å; E414-F417 PolarHBondContact O-N 3.24Å; E414-Y418 HydrophobicContact CG-CD2 4.14Å; E414-Y418 HydrophobicContact CG-CE1 4.46Å; E414-Y418 HydrophobicContact CG-CE2 3.52Å; E414-Y418 PolarHBondContact O-N 2.84Å; E414-Y418 VanDerWaalsContact O-N 3.13Å; E414-Y418 PolarHBondContact OE1-OH 3.42Å; E414-Y418 VanDerWaalsContact OE1-OH 3.06Å |
| 415 | I | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.5 | -34.3 | 179.7 | -58.9 | 163.1 | 0 | 0 | 0 | 111.7 | R326 L354 A357 V411 D412 T413 F417 Y418 Q419 | R326-I415 HydrophobicContact CB-CD1 4.04Å; R326-I415 VanDerWaalsContact NH1-CD1 3.34Å; R326-I415 VanDerWaalsContact NH2-CD1 3.29Å; L354-I415 HydrophobicContact CB-CD1 3.79Å; L354-I415 HydrophobicContact CB-CG1 4.25Å; L354-I415 HydrophobicContact CD1-CD1 3.87Å; L354-I415 HydrophobicContact CD1-CG1 3.41Å; L354-I415 VanDerWaalsContact CD1-CG1 3.41Å; L354-I415 HydrophobicContact CG-CD1 4.4Å; L354-I415 HydrophobicContact CG-CG1 4.4Å; A357-I415 HydrophobicContact CB-CG1 4.36Å; A357-I415 HydrophobicContact CB-CG2 3.76Å; V411-I415 HydrophobicContact CG1-CD1 3.97Å; V411-I415 WeakPolarHBondContact O-CD1 3.42Å; V411-I415 WeakPolarHBondContact O-CG1 3.42Å; V411-I415 PolarHBondContact O-N 3.21Å; D412-I415 PolarHBondContact O-N 3.18Å; T413-I415 VanDerWaalsContact C-N 3.29Å; T413-I415 PolarHBondContact O-N 3.07Å; I415-F417 VanDerWaalsContact C-N 3.26Å; I415-F417 PolarHBondContact O-N 3.3Å; I415-Y418 PolarHBondContact O-N 3.42Å; I415-Q419 HydrophobicContact CG2-CG 4.46Å; I415-Q419 WeakPolarHBondContact O-CG 3.37Å; I415-Q419 PolarHBondContact O-N 3.34Å |
| 416 | K | 94.3 | Very high | 93.3 | Very high | 120 Ų | 120 | 49 Ų | 49 | 52% | 0.522 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.3 | -34.6 | 173 | -72.2 | 169.2 | -171.8 | 157.9 | 0 | 112 | D412 T413 E414 Q419 | D412-K416 WeakPolarHBondContact O-CG 3.4Å; D412-K416 PolarHBondContact O-N 2.77Å; D412-K416 VanDerWaalsContact O-N 3.13Å; D412-K416 WeakPolarHBondContact OD2-CE 3.28Å; D412-K416 IonicContact OD2-NZ 3.55Å; D412-K416 PolarHBondContact OD2-NZ 2.75Å; T413-K416 WeakPolarHBondContact O-CB 3.29Å; T413-K416 PolarHBondContact O-N 3.44Å; T413-K416 VanDerWaalsContact O-N 3.14Å; E414-K416 VanDerWaalsContact C-N 3.35Å; E414-K416 PolarHBondContact O-N 3.25Å; K416-Q419 VanDerWaalsContact O-OXT 3.12Å |
| 417 | F | 91.6 | Very high | 93.5 | Very high | 83 Ų | 83 | 51.1 Ų | 51.1 | 36% | 0.364 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -77 | -21.6 | 176.5 | -75.2 | -58.5 | 0 | 0 | 0 | 113.8 | V375 I378 L379 T413 E414 I415 | V375-F417 HydrophobicContact CG1-CB 4.48Å; I378-F417 HydrophobicContact CG2-CD1 3.87Å; I378-F417 HydrophobicContact CG2-CD2 4.03Å; I378-F417 HydrophobicContact CG2-CE1 3.58Å; I378-F417 HydrophobicContact CG2-CE2 3.71Å; I378-F417 HydrophobicContact CG2-CG 4.11Å; I378-F417 HydrophobicContact CG2-CZ 3.49Å; I378-F417 VanDerWaalsContact CG2-CZ 3.49Å; L379-F417 HydrophobicContact CD2-CB 4.1Å; L379-F417 HydrophobicContact CD2-CD2 3.99Å; L379-F417 HydrophobicContact CD2-CG 4.43Å; T413-F417 HydrophobicContact CG2-CD2 3.7Å; T413-F417 HydrophobicContact CG2-CE2 3.34Å; T413-F417 HydrophobicContact CG2-CZ 4.41Å; T413-F417 VanDerWaalsContact O-CD2 3.26Å; T413-F417 WeakPolarHBondContact O-CD2 3.47Å; T413-F417 PolarHBondContact O-N 3.05Å; E414-F417 PolarHBondContact O-N 3.24Å; I415-F417 VanDerWaalsContact C-N 3.26Å; I415-F417 PolarHBondContact O-N 3.3Å |
| 418 | Y | 88.9 | Confident | 93.4 | Very high | 21 Ų | 21 | 54.3 Ų | 54.3 | 8% | 0.082 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -79.5 | -16.4 | 173.5 | -69.1 | -26.4 | 0 | 0 | 0 | 114.5 | L354 A357 H358 A361 V375 L379 E414 I415 | L354-Y418 HydrophobicContact CD1-CE2 4.12Å; A357-Y418 HydrophobicContact CB-CD2 3.8Å; A357-Y418 HydrophobicContact CB-CG 4.43Å; H358-Y418 HydrophobicContact CB-CD2 4.46Å; H358-Y418 HydrophobicContact CB-CE2 3.78Å; H358-Y418 AromaticContact ND1-CE2 3.94Å; H358-Y418 AromaticContact ND1-CZ 3.62Å; H358-Y418 PolarHBondContact ND1-OH 2.9Å; A361-Y418 HydrophobicContact CB-CD1 3.25Å; A361-Y418 HydrophobicContact CB-CD2 4.44Å; A361-Y418 HydrophobicContact CB-CE1 3.57Å; A361-Y418 HydrophobicContact CB-CG 3.73Å; V375-Y418 HydrophobicContact CG1-CD1 4.14Å; V375-Y418 HydrophobicContact CG1-CE1 4.42Å; L379-Y418 HydrophobicContact CD1-CD1 4.16Å; L379-Y418 HydrophobicContact CD1-CE1 3.35Å; E414-Y418 HydrophobicContact CG-CD2 4.14Å; E414-Y418 HydrophobicContact CG-CE1 4.46Å; E414-Y418 HydrophobicContact CG-CE2 3.52Å; E414-Y418 PolarHBondContact O-N 2.84Å; E414-Y418 VanDerWaalsContact O-N 3.13Å; E414-Y418 PolarHBondContact OE1-OH 3.42Å; E414-Y418 VanDerWaalsContact OE1-OH 3.06Å; I415-Y418 PolarHBondContact O-N 3.42Å |
| 419 | Q | 82.1 | Confident | 93.3 | Very high | 196 Ų | 196 | 53.2 Ų | 53.2 | 92% | 0.916 | 26% | 0.255 | S | S | * | . | trans | -104.6 | 0 | -177.2 | -68.5 | 179.4 | -9.1 | 0 | 0 | 111 | I415 K416 | I415-Q419 HydrophobicContact CG2-CG 4.46Å; I415-Q419 WeakPolarHBondContact O-CG 3.37Å; I415-Q419 PolarHBondContact O-N 3.34Å; K416-Q419 VanDerWaalsContact O-OXT 3.12Å |
Retrieved 419 of 419 residues in 83.3 ms
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