| 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 | 39.1 | Very low | 69.6 | Low | 245 Ų | 245 | 92.8 Ų | 92.8 | 100% | 1.207 | 57% | 0.574 | S | S | * | * | 0 | 110.4 | 0 | -68.8 | 179.8 | 179.9 | 0 | 0 | 105.8 | |||||
| 2 | E | 39.9 | Very low | 71.8 | Confident | 198 Ų | 198 | 88.7 Ų | 88.7 | 93% | 0.925 | 55% | 0.551 | S | S | * | * | trans | -150 | 139.4 | -147.7 | -166.2 | 164.3 | -172.1 | 0 | 0 | 111.2 | ||||
| 3 | G | 47 | Very low | 73.6 | Confident | 58 Ų | 58 | 88.3 Ų | 88.3 | 60% | 0.598 | 54% | 0.537 | S | S | * | . | trans | 96.2 | -4.5 | 164 | 0 | 0 | 0 | 0 | 0 | 119.2 | S5 | G3-S5 PolarHBondContact O-N 3.33Š| ||
| 4 | A | 50.4 | Low | 75.3 | Confident | 109 Ų | 109 | 82 Ų | 82 | 90% | 0.901 | 50% | 0.498 | S | S | * | . | trans | -71.6 | 18.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S6 | A4-S6 PolarHBondContact O-N 3.24Š| ||
| 5 | S | 53.7 | Low | 76.7 | Confident | 93 Ų | 93 | 76.7 Ų | 76.7 | 65% | 0.65 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -81.8 | 103.3 | -177.5 | 51.8 | 0 | 0 | 0 | 0 | 112.2 | G3 L7 | G3-S5 PolarHBondContact O-N 3.33Å; S5-L7 PolarHBondContact O-N 3.25Å |
| 6 | S | 73.4 | Confident | 77.9 | Confident | 116 Ų | 116 | 78.9 Ų | 78.9 | 81% | 0.811 | 47% | 0.469 | S | S | * | . | trans | 53.4 | 41.7 | 158.8 | 65.5 | 0 | 0 | 0 | 0 | 117.8 | A4 | A4-S6 PolarHBondContact O-N 3.24Š| ||
| 7 | L | 86.5 | Confident | 79 | Confident | 54 Ų | 54 | 74.3 Ų | 74.3 | 28% | 0.283 | 44% | 0.442 | S | S | . | . | trans | -64.2 | 136.7 | 160.1 | -69.8 | -177.5 | 0 | 0 | 0 | 110 | S5 S12 L93 K94 | S5-L7 PolarHBondContact O-N 3.25Å; L7-S12 WeakPolarHBondContact CB-OG 3.28Å; L7-L93 HydrophobicContact CD1-CB 4.16Å; L7-L93 HydrophobicContact CD1-CD1 4.34Å; L7-L93 HydrophobicContact CD2-CB 3.93Å; L7-K94 HydrophobicContact CD2-CB 3.95Å | ||
| 8 | P | 91.1 | Very high | 80 | Confident | 36 Ų | 36 | 70.2 Ų | 70.2 | 23% | 0.234 | 42% | 0.417 | C | S | . | . | trans | -58.2 | 127.5 | 172.7 | -25 | 33.6 | 0 | 0 | 0 | 111.2 | F10 L11 S12 Y68 | P8-F10 PolarHBondContact O-N 2.92Å; P8-L11 HydrophobicContact CB-CD1 4.26Å; P8-L11 HydrophobicContact CB-CG 4.39Å; P8-L11 HydrophobicContact CG-CD1 3.98Å; P8-L11 PolarHBondContact O-N 3.44Å; P8-S12 PolarHBondContact O-N 3.22Å; P8-Y68 HydrophobicContact CB-CE1 3.98Å; P8-Y68 WeakPolarHBondContact CB-OH 3.36Å; P8-Y68 HydrophobicContact CG-CE1 4Å | ||
| 9 | P | 92.9 | Very high | 80.8 | Confident | 100 Ų | 100 | 69.2 Ų | 69.2 | 65% | 0.649 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -57.5 | -22.5 | -173.9 | -29.6 | 35.7 | 0 | 0 | 0 | 115.2 | K13 | P9-K13 VanDerWaalsContact O-CB 3.29Å; P9-K13 WeakPolarHBondContact O-CB 3.14Å; P9-K13 VanDerWaalsContact O-CG 3.26Å; P9-K13 WeakPolarHBondContact O-CG 3.34Å; P9-K13 PolarHBondContact O-N 3.44Å |
| 10 | F | 95.7 | Very high | 81.5 | Confident | 12 Ų | 12 | 68.6 Ų | 68.6 | 5% | 0.053 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 172.5 | 176.3 | -99.4 | 0 | 0 | 0 | 112.6 | P8 T14 F53 F61 Q64 L65 Y68 | P8-F10 PolarHBondContact O-N 2.92Å; F10-T14 WeakPolarHBondContact CZ-OG1 3.46Å; F10-T14 VanDerWaalsContact O-CB 3.3Å; F10-T14 WeakPolarHBondContact O-CB 3.23Å; F10-T14 PolarHBondContact O-N 2.94Å; F10-T14 PolarHBondContact O-OG1 3.36Å; F10-F53 HydrophobicContact CD2-CD1 4.4Å; F10-F53 AromaticContact CD2-CE1 3.62Å; F10-F53 HydrophobicContact CD2-CE1 3.62Å; F10-F53 AromaticContact CD2-CZ 3.94Å; F10-F53 HydrophobicContact CD2-CZ 3.94Å; F10-F53 HydrophobicContact CE2-CE1 4.13Å; F10-F53 HydrophobicContact CE2-CZ 4.04Å; F10-F61 AromaticContact CE2-CD2 3.74Å; F10-F61 HydrophobicContact CE2-CD2 3.74Å; F10-F61 AromaticContact CE2-CE2 3.87Å; F10-F61 HydrophobicContact CE2-CE2 3.87Å; F10-F61 HydrophobicContact CZ-CD2 4.06Å; F10-F61 AromaticContact CZ-CE2 3.89Å; F10-F61 HydrophobicContact CZ-CE2 3.89Å; F10-Q64 HydrophobicContact CD1-CB 4.25Å; F10-Q64 HydrophobicContact CD2-CB 3.7Å; F10-Q64 HydrophobicContact CD2-CG 4.15Å; F10-Q64 HydrophobicContact CE1-CB 3.91Å; F10-Q64 HydrophobicContact CE2-CB 3.33Å; F10-Q64 HydrophobicContact CE2-CG 4.12Å; F10-Q64 HydrophobicContact CG-CB 4.15Å; F10-Q64 HydrophobicContact CZ-CB 3.45Å; F10-Q64 VanDerWaalsContact CZ-CB 3.45Å; F10-L65 HydrophobicContact CE1-CD2 4.02Å; F10-L65 HydrophobicContact CZ-CD2 3.82Å; F10-L65 HydrophobicContact CZ-CG 4.1Å; F10-Y68 HydrophobicContact CB-CE2 3.93Å; F10-Y68 AromaticContact CD1-CD2 3.36Å; F10-Y68 HydrophobicContact CD1-CD2 3.36Å; F10-Y68 AromaticContact CD1-CE2 3.46Å; F10-Y68 HydrophobicContact CD1-CE2 3.46Å; F10-Y68 VanDerWaalsContact CD1-CE2 3.46Å; F10-Y68 HydrophobicContact CD1-CG 4.39Å; F10-Y68 AromaticContact CE1-CD2 3.81Å; F10-Y68 HydrophobicContact CE1-CD2 3.81Å; F10-Y68 HydrophobicContact CE1-CE2 4.32Å; F10-Y68 HydrophobicContact CG-CD2 4.27Å; F10-Y68 AromaticContact CG-CE2 3.94Å; F10-Y68 HydrophobicContact CG-CE2 3.94Å |
| 11 | L | 96.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -72.3 | -44.8 | -175.7 | -65.4 | 175.1 | 0 | 0 | 0 | 111.4 | P8 K13 T14 Y15 Y68 F70 I96 | P8-L11 HydrophobicContact CB-CD1 4.26Å; P8-L11 HydrophobicContact CB-CG 4.39Å; P8-L11 HydrophobicContact CG-CD1 3.98Å; P8-L11 PolarHBondContact O-N 3.44Å; L11-K13 VanDerWaalsContact C-N 3.34Å; L11-K13 PolarHBondContact O-N 3.45Å; L11-T14 PolarHBondContact O-N 3.36Å; L11-Y15 WeakPolarHBondContact O-CB 3.33Å; L11-Y15 PolarHBondContact O-N 3.14Å; L11-Y68 HydrophobicContact CD1-CD1 3.91Å; L11-Y68 HydrophobicContact CD1-CE1 4.1Å; L11-Y68 HydrophobicContact CD1-CG 4.46Å; L11-Y68 HydrophobicContact CD2-CD1 4.18Å; L11-Y68 HydrophobicContact CD2-CD2 4.23Å; L11-Y68 HydrophobicContact CD2-CG 3.9Å; L11-Y68 HydrophobicContact CG-CD1 4.16Å; L11-Y68 HydrophobicContact CG-CE1 4.32Å; L11-Y68 HydrophobicContact CG-CG 4.29Å; L11-F70 HydrophobicContact CD2-CE2 3.8Å; L11-F70 HydrophobicContact CD2-CZ 4.2Å; L11-I96 HydrophobicContact CD1-CB 3.72Å; L11-I96 HydrophobicContact CD1-CG2 3.85Å; L11-I96 WeakPolarHBondContact CD1-O 3.42Å; L11-I96 HydrophobicContact CD2-CD1 4.37Å; L11-I96 HydrophobicContact CD2-CG2 3.96Å |
| 12 | S | 95.3 | Very high | 84.8 | Confident | 43 Ų | 43 | 62.4 Ų | 62.4 | 30% | 0.301 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.1 | -46.6 | 175.8 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | L7 P8 Y15 E16 | L7-S12 WeakPolarHBondContact CB-OG 3.28Å; P8-S12 PolarHBondContact O-N 3.22Å; S12-Y15 PolarHBondContact O-N 3.46Å; S12-E16 WeakPolarHBondContact O-CB 3.49Å; S12-E16 PolarHBondContact O-N 3.49Å |
| 13 | K | 96 | Very high | 87.4 | Confident | 84 Ų | 84 | 53.3 Ų | 53.3 | 37% | 0.365 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.9 | -34.5 | 179.3 | -73 | -178.1 | 153 | -155.4 | 0 | 113.8 | P9 L11 M17 Y52 F53 | P9-K13 VanDerWaalsContact O-CB 3.29Å; P9-K13 WeakPolarHBondContact O-CB 3.14Å; P9-K13 VanDerWaalsContact O-CG 3.26Å; P9-K13 WeakPolarHBondContact O-CG 3.34Å; P9-K13 PolarHBondContact O-N 3.44Å; L11-K13 VanDerWaalsContact C-N 3.34Å; L11-K13 PolarHBondContact O-N 3.45Å; K13-M17 WeakPolarHBondContact O-CB 3.37Å; K13-M17 PolarHBondContact O-N 3.46Å; K13-Y52 HydrophobicContact CB-CD1 4.35Å; K13-Y52 VanDerWaalsContact CD-O 3.31Å; K13-Y52 WeakPolarHBondContact CD-O 3.45Å; K13-Y52 PolarHBondContact NZ-O 3.02Å; K13-F53 HydrophobicContact CB-CE1 3.96Å; K13-F53 HydrophobicContact CB-CZ 3.93Å; K13-F53 HydrophobicContact CD-CE1 4.43Å |
| 14 | T | 96.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.2 | -39.3 | 174.6 | -55 | 0 | 0 | 0 | 0 | 110.4 | F10 L11 M17 V18 F36 F61 L65 F85 | F10-T14 WeakPolarHBondContact CZ-OG1 3.46Å; F10-T14 VanDerWaalsContact O-CB 3.3Å; F10-T14 WeakPolarHBondContact O-CB 3.23Å; F10-T14 PolarHBondContact O-N 2.94Å; F10-T14 PolarHBondContact O-OG1 3.36Å; L11-T14 PolarHBondContact O-N 3.36Å; T14-M17 HydrophobicContact CG2-CE 4.32Å; T14-V18 WeakPolarHBondContact O-CB 3.48Å; T14-V18 WeakPolarHBondContact O-CG2 3.42Å; T14-V18 PolarHBondContact O-N 2.95Å; T14-F36 HydrophobicContact CG2-CZ 4.31Å; T14-F61 HydrophobicContact CG2-CE2 3.97Å; T14-F61 HydrophobicContact CG2-CZ 3.9Å; T14-L65 HydrophobicContact CG2-CD2 4.47Å; T14-F85 HydrophobicContact CG2-CE2 4.41Å; T14-F85 HydrophobicContact CG2-CZ 4.01Å |
| 15 | Y | 96.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 1% | 0.012 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.3 | -50.5 | 172.6 | -173.5 | -72.3 | 0 | 0 | 0 | 111.2 | L11 S12 M17 V18 D19 W29 F85 G88 Q90 L93 | L11-Y15 WeakPolarHBondContact O-CB 3.33Å; L11-Y15 PolarHBondContact O-N 3.14Å; S12-Y15 PolarHBondContact O-N 3.46Å; Y15-M17 VanDerWaalsContact C-N 3.3Å; Y15-M17 PolarHBondContact O-N 3.08Å; Y15-V18 PolarHBondContact O-N 3Å; Y15-D19 HydrophobicContact CD1-CB 4.14Å; Y15-D19 HydrophobicContact CE1-CB 3.52Å; Y15-D19 WeakPolarHBondContact CE1-OD2 3.31Å; Y15-D19 VanDerWaalsContact CZ-OD2 3.25Å; Y15-D19 PolarHBondContact O-N 3.24Å; Y15-D19 PolarHBondContact OH-OD2 2.66Å; Y15-W29 HydrophobicContact CD2-CH2 4.09Å; Y15-W29 AromaticContact CD2-CZ2 3.87Å; Y15-W29 HydrophobicContact CD2-CZ2 3.87Å; Y15-W29 AromaticContact CE2-CH2 3.9Å; Y15-W29 HydrophobicContact CE2-CH2 3.9Å; Y15-W29 AromaticContact CE2-CZ2 3.56Å; Y15-W29 HydrophobicContact CE2-CZ2 3.56Å; Y15-W29 AromaticContact CZ-CZ2 3.97Å; Y15-F85 HydrophobicContact CD2-CE2 4.29Å; Y15-F85 HydrophobicContact CD2-CZ 4.41Å; Y15-G88 WeakPolarHBondContact OH-CA 3.23Å; Y15-G88 PolarHBondContact OH-N 3.4Å; Y15-Q90 HydrophobicContact CD1-CG 3.67Å; Y15-Q90 VanDerWaalsContact CD1-NE2 3.26Å; Y15-Q90 HydrophobicContact CD2-CG 4.08Å; Y15-Q90 HydrophobicContact CE1-CG 3.39Å; Y15-Q90 HydrophobicContact CE2-CG 3.76Å; Y15-Q90 HydrophobicContact CG-CG 4.06Å; Y15-Q90 VanDerWaalsContact CZ-CG 3.46Å; Y15-L93 HydrophobicContact CD2-CD1 4.05Å; Y15-L93 HydrophobicContact CD2-CD2 4.32Å; Y15-L93 HydrophobicContact CG-CD1 4.04Å |
| 16 | E | 95.8 | Very high | 93.8 | Very high | 112 Ų | 112 | 49.4 Ų | 49.4 | 52% | 0.523 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.7 | -41 | 179.2 | -173.2 | -178.1 | -166.8 | 0 | 0 | 112.5 | S12 V18 D20 Y52 | S12-E16 WeakPolarHBondContact O-CB 3.49Å; S12-E16 PolarHBondContact O-N 3.49Å; E16-V18 VanDerWaalsContact C-N 3.32Å; E16-V18 PolarHBondContact O-N 3.41Å; E16-D20 PolarHBondContact O-N 3.34Å; E16-Y52 HydrophobicContact CB-CE1 4.3Å; E16-Y52 HydrophobicContact CG-CE1 4.02Å |
| 17 | M | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.6 | -21.7 | 176.7 | -179.3 | -176.9 | 69.3 | 0 | 0 | 114.3 | K13 T14 Y15 T23 V27 F44 L48 Y52 F53 F61 | K13-M17 WeakPolarHBondContact O-CB 3.37Å; K13-M17 PolarHBondContact O-N 3.46Å; T14-M17 HydrophobicContact CG2-CE 4.32Å; Y15-M17 VanDerWaalsContact C-N 3.3Å; Y15-M17 PolarHBondContact O-N 3.08Å; M17-T23 PolarHBondContact O-OG1 3.49Å; M17-V27 HydrophobicContact CG-CG1 4.3Å; M17-F44 HydrophobicContact CE-CE2 3.58Å; M17-F44 HydrophobicContact CE-CZ 3.73Å; M17-F44 HydrophobicContact SD-CE2 3.85Å; M17-F44 HydrophobicContact SD-CZ 4.19Å; M17-L48 HydrophobicContact SD-CB 4.36Å; M17-Y52 HydrophobicContact CB-CD1 3.95Å; M17-Y52 HydrophobicContact CB-CD2 3.78Å; M17-Y52 HydrophobicContact CB-CE1 3.86Å; M17-Y52 HydrophobicContact CB-CE2 3.69Å; M17-Y52 HydrophobicContact CB-CG 3.92Å; M17-Y52 HydrophobicContact CG-CD2 3.58Å; M17-Y52 HydrophobicContact CG-CE2 3.57Å; M17-Y52 HydrophobicContact CG-CG 4.16Å; M17-Y52 HydrophobicContact SD-CD2 3.8Å; M17-Y52 HydrophobicContact SD-CE2 4.38Å; M17-Y52 HydrophobicContact SD-CG 4.22Å; M17-F53 HydrophobicContact CE-CE2 4.3Å; M17-F53 HydrophobicContact SD-CE2 4.15Å; M17-F61 HydrophobicContact CE-CE2 3.79Å; M17-F61 HydrophobicContact CE-CZ 3.82Å |
| 18 | V | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -103.8 | -22.2 | -175.9 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | T14 Y15 E16 V27 W29 F36 | T14-V18 WeakPolarHBondContact O-CB 3.48Å; T14-V18 WeakPolarHBondContact O-CG2 3.42Å; T14-V18 PolarHBondContact O-N 2.95Å; Y15-V18 PolarHBondContact O-N 3Å; E16-V18 VanDerWaalsContact C-N 3.32Å; E16-V18 PolarHBondContact O-N 3.41Å; V18-V27 HydrophobicContact CG2-CG1 4.48Å; V18-V27 HydrophobicContact CG2-CG2 3.89Å; V18-W29 HydrophobicContact CG1-CD2 3.8Å; V18-W29 HydrophobicContact CG1-CE3 4.41Å; V18-W29 HydrophobicContact CG1-CG 3.97Å; V18-W29 HydrophobicContact CG1-CZ2 4.18Å; V18-W29 PolarHBondContact O-NE1 3.04Å; V18-W29 VanDerWaalsContact O-NE1 3.15Å; V18-F36 HydrophobicContact CG1-CB 3.53Å; V18-F36 HydrophobicContact CG1-CG 4.06Å; V18-F36 HydrophobicContact CG2-CD2 4.09Å; V18-F36 HydrophobicContact CG2-CG 4.2Å |
| 19 | D | 95.6 | Very high | 95.7 | Very high | 52 Ų | 52 | 41.5 Ų | 41.5 | 28% | 0.278 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -95.3 | 0.7 | 175.9 | -143.4 | 25.9 | 0 | 0 | 0 | 113.5 | Y15 P21 W29 R87 | Y15-D19 HydrophobicContact CD1-CB 4.14Å; Y15-D19 HydrophobicContact CE1-CB 3.52Å; Y15-D19 WeakPolarHBondContact CE1-OD2 3.31Å; Y15-D19 VanDerWaalsContact CZ-OD2 3.25Å; Y15-D19 PolarHBondContact O-N 3.24Å; Y15-D19 PolarHBondContact OH-OD2 2.66Å; D19-P21 WeakPolarHBondContact O-CD 3.38Å; D19-W29 PolarHBondContact OD1-NE1 2.91Å; D19-R87 IonicContact OD1-CZ 3.72Å; D19-R87 IonicContact OD1-NE 3.49Å; D19-R87 PolarHBondContact OD1-NE 3.38Å; D19-R87 IonicContact OD1-NH2 3.57Å |
| 20 | D | 95.4 | Very high | 95.8 | Very high | 57 Ų | 57 | 37.7 Ų | 37.7 | 31% | 0.305 | 23% | 0.23 | S | C | . | . | trans | -82.4 | 111.3 | 170.6 | 177.4 | 9.2 | 0 | 0 | 0 | 110.8 | E16 A22 T23 | E16-D20 PolarHBondContact O-N 3.34Å; D20-A22 PolarHBondContact O-N 3.27Å; D20-A22 VanDerWaalsContact OD1-CB 3.31Å; D20-A22 WeakPolarHBondContact OD1-CB 3.47Å; D20-A22 PolarHBondContact OD1-N 3.48Å; D20-T23 HydrophobicContact CB-CG2 4.14Å; D20-T23 PolarHBondContact O-N 3.27Å; D20-T23 PolarHBondContact O-OG1 3.22Å | ||
| 21 | P | 94.6 | Very high | 95.7 | Very high | 96 Ų | 96 | 43.9 Ų | 43.9 | 62% | 0.623 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -10.8 | -179.1 | 29.3 | -36.4 | 0 | 0 | 0 | 113.9 | D19 T23 | D19-P21 WeakPolarHBondContact O-CD 3.38Å; P21-T23 PolarHBondContact O-N 2.62Å |
| 22 | A | 93.9 | Very high | 95.6 | Very high | 88 Ų | 88 | 50.9 Ų | 50.9 | 73% | 0.727 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -11.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D20 | D20-A22 PolarHBondContact O-N 3.27Å; D20-A22 VanDerWaalsContact OD1-CB 3.31Å; D20-A22 WeakPolarHBondContact OD1-CB 3.47Å; D20-A22 PolarHBondContact OD1-N 3.48Å |
| 23 | T | 94.8 | Very high | 95.6 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.043 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -105.1 | -10.1 | 179.4 | 72 | 0 | 0 | 0 | 0 | 114.5 | M17 D20 P21 A25 V26 V27 L48 | M17-T23 PolarHBondContact O-OG1 3.49Å; D20-T23 HydrophobicContact CB-CG2 4.14Å; D20-T23 PolarHBondContact O-N 3.27Å; D20-T23 PolarHBondContact O-OG1 3.22Å; P21-T23 PolarHBondContact O-N 2.62Å; T23-A25 PolarHBondContact O-N 2.89Å; T23-V26 PolarHBondContact O-N 2.88Å; T23-V27 CarbonylContact C-O 3.45Å; T23-V27 PolarHBondContact O-N 2.66Å; T23-V27 PolarHBondContact OG1-O 3.26Å; T23-L48 HydrophobicContact CG2-CD1 4.26Å; T23-L48 HydrophobicContact CG2-CD2 3.7Å |
| 24 | D | 94.7 | Very high | 95.6 | Very high | 70 Ų | 70 | 48.3 Ų | 48.3 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -24.5 | -171.6 | -85.8 | -29.2 | 0 | 0 | 0 | 114.2 | V26 V27 A28 | D24-V26 VanDerWaalsContact C-N 3.29Å; D24-V26 PolarHBondContact O-N 3.47Å; D24-V27 WeakPolarHBondContact CA-O 3.33Å; D24-A28 HydrophobicContact CB-CB 4.39Å |
| 25 | A | 94.4 | Very high | 95.6 | Very high | 88 Ų | 88 | 48.5 Ų | 48.5 | 73% | 0.727 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -17.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T23 | T23-A25 PolarHBondContact O-N 2.89Š|
| 26 | V | 95.9 | Very high | 95.6 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 12% | 0.121 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | -40.4 | -171.4 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | T23 D24 V38 A39 N40 E43 F44 L48 | T23-V26 PolarHBondContact O-N 2.88Å; D24-V26 VanDerWaalsContact C-N 3.29Å; D24-V26 PolarHBondContact O-N 3.47Å; V26-V38 CarbonylContact O-C 3.52Å; V26-A39 PolarHBondContact O-N 2.89Å; V26-N40 PolarHBondContact O-N 3.01Å; V26-E43 HydrophobicContact CG1-CB 4Å; V26-E43 HydrophobicContact CG2-CB 3.95Å; V26-F44 HydrophobicContact CG1-CB 3.73Å; V26-F44 HydrophobicContact CG1-CD2 4.46Å; V26-F44 VanDerWaalsContact CG1-N 3.3Å; V26-L48 HydrophobicContact CB-CD1 3.94Å; V26-L48 HydrophobicContact CG1-CD1 3.66Å; V26-L48 HydrophobicContact CG1-CG 4.35Å |
| 27 | V | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 129.5 | 170.3 | 66.1 | 0 | 0 | 0 | 0 | 109.7 | M17 V18 T23 D24 F36 V37 V38 F44 L48 | M17-V27 HydrophobicContact CG-CG1 4.3Å; V18-V27 HydrophobicContact CG2-CG1 4.48Å; V18-V27 HydrophobicContact CG2-CG2 3.89Å; T23-V27 CarbonylContact C-O 3.45Å; T23-V27 PolarHBondContact O-N 2.66Å; T23-V27 PolarHBondContact OG1-O 3.26Å; D24-V27 WeakPolarHBondContact CA-O 3.33Å; V27-F36 HydrophobicContact CG2-CD2 3.79Å; V27-F36 HydrophobicContact CG2-CE2 4.39Å; V27-V37 VanDerWaalsContact CA-O 3.32Å; V27-V37 WeakPolarHBondContact CA-O 3.41Å; V27-V38 HydrophobicContact CB-CG2 4.42Å; V27-V38 HydrophobicContact CG2-CG2 3.86Å; V27-F44 HydrophobicContact CB-CD2 4.07Å; V27-F44 HydrophobicContact CB-CE2 4.17Å; V27-F44 HydrophobicContact CG1-CD2 4.27Å; V27-F44 HydrophobicContact CG1-CE2 4.22Å; V27-F44 HydrophobicContact CG2-CE2 4.32Å; V27-L48 HydrophobicContact CG1-CD1 3.64Å |
| 28 | A | 96.7 | Very high | 95.7 | Very high | 23 Ų | 23 | 44.2 Ų | 44.2 | 19% | 0.19 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 154.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D24 F36 V37 | D24-A28 HydrophobicContact CB-CB 4.39Å; A28-F36 CarbonylContact O-C 3.48Å; A28-F36 WeakPolarHBondContact O-CA 3.37Å; A28-F36 WeakPolarHBondContact O-CB 3.42Å; A28-V37 PolarHBondContact N-O 2.71Å; A28-V37 VanDerWaalsContact N-O 3.1Å; A28-V37 PolarHBondContact O-N 3.03Å |
| 29 | W | 97.5 | Very high | 95.7 | Very high | 17 Ų | 17 | 47.9 Ų | 47.9 | 6% | 0.064 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 145.5 | 163.4 | -66.8 | 100.5 | 0 | 0 | 0 | 111.2 | Y15 V18 D19 F85 R87 | Y15-W29 HydrophobicContact CD2-CH2 4.09Å; Y15-W29 AromaticContact CD2-CZ2 3.87Å; Y15-W29 HydrophobicContact CD2-CZ2 3.87Å; Y15-W29 AromaticContact CE2-CH2 3.9Å; Y15-W29 HydrophobicContact CE2-CH2 3.9Å; Y15-W29 AromaticContact CE2-CZ2 3.56Å; Y15-W29 HydrophobicContact CE2-CZ2 3.56Å; Y15-W29 AromaticContact CZ-CZ2 3.97Å; V18-W29 HydrophobicContact CG1-CD2 3.8Å; V18-W29 HydrophobicContact CG1-CE3 4.41Å; V18-W29 HydrophobicContact CG1-CG 3.97Å; V18-W29 HydrophobicContact CG1-CZ2 4.18Å; V18-W29 PolarHBondContact O-NE1 3.04Å; V18-W29 VanDerWaalsContact O-NE1 3.15Å; D19-W29 PolarHBondContact OD1-NE1 2.91Å; W29-F85 AromaticContact CH2-CD1 3.5Å; W29-F85 HydrophobicContact CH2-CD1 3.5Å; W29-F85 VanDerWaalsContact CH2-CD1 3.5Å; W29-F85 AromaticContact CH2-CE1 3.29Å; W29-F85 HydrophobicContact CH2-CE1 3.29Å; W29-F85 HydrophobicContact CH2-CG 4.36Å; W29-F85 HydrophobicContact CH2-CZ 4.02Å; W29-F85 HydrophobicContact CZ2-CE1 4.05Å; W29-F85 HydrophobicContact CZ2-CZ 4.48Å; W29-F85 AromaticContact CZ3-CD1 3.63Å; W29-F85 HydrophobicContact CZ3-CD1 3.63Å; W29-F85 AromaticContact CZ3-CE1 3.68Å; W29-F85 HydrophobicContact CZ3-CE1 3.68Å; W29-R87 VanDerWaalsContact CD1-CD 3.49Å; W29-R87 VanDerWaalsContact CD1-NE 3.32Å; W29-R87 HydrophobicContact CD2-CB 3.68Å; W29-R87 HydrophobicContact CD2-CG 3.9Å; W29-R87 HydrophobicContact CE3-CB 3.91Å; W29-R87 HydrophobicContact CG-CB 4.12Å; W29-R87 HydrophobicContact CG-CG 3.94Å; W29-R87 HydrophobicContact CH2-CB 4.35Å; W29-R87 HydrophobicContact CZ2-CB 4.16Å; W29-R87 HydrophobicContact CZ2-CG 4.35Å; W29-R87 HydrophobicContact CZ3-CB 4.23Å |
| 30 | T | 95.6 | Very high | 95.5 | Very high | 19 Ų | 19 | 48 Ų | 48 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | trans | -67.5 | 161.8 | 166.1 | 56.3 | 0 | 0 | 0 | 0 | 111.7 | L32 G33 S35 V37 E79 | T30-L32 PolarHBondContact O-N 3.45Å; T30-G33 PolarHBondContact O-N 2.72Å; T30-S35 WeakPolarHBondContact CG2-OG 3.36Å; T30-S35 PolarHBondContact N-O 2.99Å; T30-S35 PolarHBondContact OG1-O 3.17Å; T30-S35 PolarHBondContact OG1-OG 3.07Å; T30-V37 HydrophobicContact CG2-CG2 3.77Å; T30-E79 HydrophobicContact CG2-CG 4.4Å; T30-E79 VanDerWaalsContact CG2-OE1 3.31Å; T30-E79 WeakPolarHBondContact CG2-OE1 3.27Å | ||
| 31 | P | 94 | Very high | 95.5 | Very high | 142 Ų | 142 | 49.1 Ų | 49.1 | 92% | 0.922 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -20.8 | 179.9 | -27.9 | 36.5 | 0 | 0 | 0 | 115.2 | ||
| 32 | L | 94.5 | Very high | 95.5 | Very high | 147 Ų | 147 | 47.6 Ų | 47.6 | 77% | 0.77 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -14.5 | 175.6 | -60.6 | 179.6 | 0 | 0 | 0 | 113.5 | T30 T34 | T30-L32 PolarHBondContact O-N 3.45Å; L32-T34 HydrophobicContact CB-CG2 4.43Å; L32-T34 PolarHBondContact O-N 3.02Å |
| 33 | G | 94.6 | Very high | 95.6 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 7% | 0.072 | 29% | 0.293 | C | S | . | . | S | Bend | trans | 69.4 | 11.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T30 I86 R87 | T30-G33 PolarHBondContact O-N 2.72Å; G33-I86 WeakPolarHBondContact O-CA 3.46Å; G33-R87 PolarHBondContact O-N 3Å |
| 34 | T | 95.6 | Very high | 95.7 | Very high | 66 Ų | 66 | 46.4 Ų | 46.4 | 41% | 0.405 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -95.7 | -8.2 | -178.1 | 49.7 | 0 | 0 | 0 | 0 | 113.9 | L32 | L32-T34 HydrophobicContact CB-CG2 4.43Å; L32-T34 PolarHBondContact O-N 3.02Å |
| 35 | S | 96.9 | Very high | 95.7 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.028 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 166.1 | -175 | 50.8 | 0 | 0 | 0 | 0 | 109.7 | T30 E79 F80 | T30-S35 WeakPolarHBondContact CG2-OG 3.36Å; T30-S35 PolarHBondContact N-O 2.99Å; T30-S35 PolarHBondContact OG1-O 3.17Å; T30-S35 PolarHBondContact OG1-OG 3.07Å; S35-E79 WeakPolarHBondContact CB-OE1 3.3Å; S35-E79 PolarHBondContact OG-OE1 3.25Å; S35-F80 WeakPolarHBondContact CA-O 3.35Å; S35-F80 WeakPolarHBondContact CB-O 3.47Å |
| 36 | F | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 147.3 | 175.3 | 70.8 | -89.8 | 0 | 0 | 0 | 111.5 | T14 V18 V27 A28 V38 F61 L65 F70 E79 F80 F85 | T14-F36 HydrophobicContact CG2-CZ 4.31Å; V18-F36 HydrophobicContact CG1-CB 3.53Å; V18-F36 HydrophobicContact CG1-CG 4.06Å; V18-F36 HydrophobicContact CG2-CD2 4.09Å; V18-F36 HydrophobicContact CG2-CG 4.2Å; V27-F36 HydrophobicContact CG2-CD2 3.79Å; V27-F36 HydrophobicContact CG2-CE2 4.39Å; A28-F36 CarbonylContact O-C 3.48Å; A28-F36 WeakPolarHBondContact O-CA 3.37Å; A28-F36 WeakPolarHBondContact O-CB 3.42Å; F36-V38 HydrophobicContact CE2-CG2 4.33Å; F36-F61 HydrophobicContact CE2-CE1 4.33Å; F36-F61 HydrophobicContact CE2-CZ 4.27Å; F36-F61 HydrophobicContact CZ-CE1 4.48Å; F36-F61 HydrophobicContact CZ-CZ 4.24Å; F36-L65 HydrophobicContact CE1-CD2 4.42Å; F36-L65 HydrophobicContact CZ-CD1 4.01Å; F36-L65 HydrophobicContact CZ-CD2 3.9Å; F36-F70 HydrophobicContact CE1-CD1 4.08Å; F36-F70 AromaticContact CE1-CE1 3.89Å; F36-F70 HydrophobicContact CE1-CE1 3.89Å; F36-E79 CarbonylContact O-C 3.53Å; F36-E79 WeakPolarHBondContact O-CA 3.08Å; F36-F80 HydrophobicContact CD1-CB 4.5Å; F36-F80 HydrophobicContact CE1-CB 3.93Å; F36-F80 HydrophobicContact CE2-CB 4.3Å; F36-F80 HydrophobicContact CE2-CD2 4.14Å; F36-F80 HydrophobicContact CZ-CB 3.81Å; F36-F80 HydrophobicContact CZ-CD2 4.3Å; F36-F80 HydrophobicContact CZ-CG 4.38Å; F36-F80 PolarHBondContact N-O 2.92Å; F36-F80 PolarHBondContact O-N 3.04Å; F36-F85 AromaticContact CD1-CD1 3.98Å; F36-F85 HydrophobicContact CD1-CD1 3.98Å; F36-F85 AromaticContact CD1-CE1 3.58Å; F36-F85 HydrophobicContact CD1-CE1 3.58Å; F36-F85 HydrophobicContact CE1-CD1 4.22Å; F36-F85 AromaticContact CE1-CE1 3.85Å; F36-F85 HydrophobicContact CE1-CE1 3.85Å; F36-F85 HydrophobicContact CE1-CZ 4.49Å |
| 37 | V | 97.5 | Very high | 95.7 | Very high | 23 Ų | 23 | 49.1 Ų | 49.1 | 14% | 0.139 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 130.6 | -177.6 | -171 | 0 | 0 | 0 | 0 | 109.3 | V27 A28 T30 A39 Q77 E79 | V27-V37 VanDerWaalsContact CA-O 3.32Å; V27-V37 WeakPolarHBondContact CA-O 3.41Å; A28-V37 PolarHBondContact N-O 2.71Å; A28-V37 VanDerWaalsContact N-O 3.1Å; A28-V37 PolarHBondContact O-N 3.03Å; T30-V37 HydrophobicContact CG2-CG2 3.77Å; V37-A39 PolarHBondContact O-N 3.01Å; V37-Q77 HydrophobicContact CG1-CB 4.4Å; V37-E79 HydrophobicContact CG2-CB 4Å; V37-E79 HydrophobicContact CG2-CG 3.85Å |
| 38 | V | 97.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 96 | 165 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | V26 V27 F36 F44 F58 W78 | V26-V38 CarbonylContact O-C 3.52Å; V27-V38 HydrophobicContact CB-CG2 4.42Å; V27-V38 HydrophobicContact CG2-CG2 3.86Å; F36-V38 HydrophobicContact CE2-CG2 4.33Å; V38-F44 HydrophobicContact CG1-CB 3.62Å; V38-F44 HydrophobicContact CG1-CD1 4.07Å; V38-F44 HydrophobicContact CG1-CD2 3.78Å; V38-F44 HydrophobicContact CG1-CE2 4.47Å; V38-F44 HydrophobicContact CG1-CG 3.56Å; V38-F44 HydrophobicContact CG2-CD2 4.12Å; V38-F44 HydrophobicContact CG2-CE2 4.01Å; V38-F44 HydrophobicContact CG2-CG 4.49Å; V38-F44 HydrophobicContact CG2-CZ 4.26Å; V38-F58 HydrophobicContact CG1-CE2 4.23Å; V38-F58 HydrophobicContact CG2-CE2 4.39Å; V38-W78 HydrophobicContact CB-CB 3.92Å; V38-W78 PolarHBondContact N-O 3.03Å |
| 39 | A | 95 | Very high | 95.6 | Very high | 76 Ų | 76 | 48.5 Ų | 48.5 | 63% | 0.628 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -69.7 | -38.4 | -175 | 0 | 0 | 0 | 0 | 0 | 112.8 | V26 V37 | V26-A39 PolarHBondContact O-N 2.89Å; V37-A39 PolarHBondContact O-N 3.01Å |
| 40 | N | 92.8 | Very high | 95.5 | Very high | 55 Ų | 55 | 51 Ų | 51 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | trans | -125.3 | 97.5 | 178.7 | -171.3 | -20.8 | 0 | 0 | 0 | 111.2 | V26 A42 E43 F44 | V26-N40 PolarHBondContact O-N 3.01Å; N40-A42 VanDerWaalsContact C-N 3.28Å; N40-A42 PolarHBondContact O-N 3.1Å; N40-A42 PolarHBondContact OD1-N 2.84Å; N40-A42 VanDerWaalsContact OD1-N 3.11Å; N40-E43 HydrophobicContact CB-CB 4.22Å; N40-E43 WeakPolarHBondContact ND2-CG 3.23Å; N40-E43 PolarHBondContact ND2-OE2 2.93Å; N40-E43 PolarHBondContact O-N 3.46Å; N40-E43 PolarHBondContact OD1-N 3.44Å; N40-F44 WeakPolarHBondContact O-CB 3.16Å; N40-F44 PolarHBondContact O-N 3.16Å | ||
| 41 | Q | 94.8 | Very high | 95.5 | Very high | 80 Ų | 80 | 57.2 Ų | 57.2 | 37% | 0.374 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.7 | -36.2 | -179.6 | -174.3 | -177.1 | -17.1 | 0 | 0 | 112.8 | C45 F58 | Q41-C45 WeakPolarHBondContact O-CB 3.39Å; Q41-C45 PolarHBondContact O-N 3.04Å; Q41-C45 PolarHBondContact O-SG 3.07Å; Q41-F58 HydrophobicContact CG-CB 4.41Å; Q41-F58 HydrophobicContact CG-CD1 4.09Å; Q41-F58 HydrophobicContact CG-CD2 4.05Å; Q41-F58 HydrophobicContact CG-CE1 4.34Å; Q41-F58 HydrophobicContact CG-CE2 4.31Å; Q41-F58 HydrophobicContact CG-CG 3.94Å; Q41-F58 HydrophobicContact CG-CZ 4.44Å |
| 42 | A | 95.1 | Very high | 95.5 | Very high | 65 Ų | 65 | 52 Ų | 52 | 54% | 0.537 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -71.2 | -45.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N40 C45 R46 | N40-A42 VanDerWaalsContact C-N 3.28Å; N40-A42 PolarHBondContact O-N 3.1Å; N40-A42 PolarHBondContact OD1-N 2.84Å; N40-A42 VanDerWaalsContact OD1-N 3.11Å; A42-C45 PolarHBondContact O-N 3.24Å; A42-R46 WeakPolarHBondContact O-CB 3.46Å; A42-R46 PolarHBondContact O-N 2.99Å |
| 43 | E | 95 | Very high | 95.6 | Very high | 69 Ų | 69 | 46.2 Ų | 46.2 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.1 | -37 | 176.8 | -66.6 | -177.7 | 160.9 | 0 | 0 | 111.6 | V26 N40 C45 R46 D47 | V26-E43 HydrophobicContact CG1-CB 4Å; V26-E43 HydrophobicContact CG2-CB 3.95Å; N40-E43 HydrophobicContact CB-CB 4.22Å; N40-E43 WeakPolarHBondContact ND2-CG 3.23Å; N40-E43 PolarHBondContact ND2-OE2 2.93Å; N40-E43 PolarHBondContact O-N 3.46Å; N40-E43 PolarHBondContact OD1-N 3.44Å; E43-C45 VanDerWaalsContact C-N 3.31Å; E43-C45 PolarHBondContact O-N 3.36Å; E43-R46 PolarHBondContact O-N 3.3Å; E43-R46 IonicContact OE1-NH2 3.79Å; E43-D47 WeakPolarHBondContact O-CB 3.44Å; E43-D47 PolarHBondContact O-N 3.46Å |
| 44 | F | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -57.1 | -44.9 | 172 | -177.4 | -96 | 0 | 0 | 0 | 111.6 | M17 V26 V27 V38 N40 L48 L49 F58 F61 | M17-F44 HydrophobicContact CE-CE2 3.58Å; M17-F44 HydrophobicContact CE-CZ 3.73Å; M17-F44 HydrophobicContact SD-CE2 3.85Å; M17-F44 HydrophobicContact SD-CZ 4.19Å; V26-F44 HydrophobicContact CG1-CB 3.73Å; V26-F44 HydrophobicContact CG1-CD2 4.46Å; V26-F44 VanDerWaalsContact CG1-N 3.3Å; V27-F44 HydrophobicContact CB-CD2 4.07Å; V27-F44 HydrophobicContact CB-CE2 4.17Å; V27-F44 HydrophobicContact CG1-CD2 4.27Å; V27-F44 HydrophobicContact CG1-CE2 4.22Å; V27-F44 HydrophobicContact CG2-CE2 4.32Å; V38-F44 HydrophobicContact CG1-CB 3.62Å; V38-F44 HydrophobicContact CG1-CD1 4.07Å; V38-F44 HydrophobicContact CG1-CD2 3.78Å; V38-F44 HydrophobicContact CG1-CE2 4.47Å; V38-F44 HydrophobicContact CG1-CG 3.56Å; V38-F44 HydrophobicContact CG2-CD2 4.12Å; V38-F44 HydrophobicContact CG2-CE2 4.01Å; V38-F44 HydrophobicContact CG2-CG 4.49Å; V38-F44 HydrophobicContact CG2-CZ 4.26Å; N40-F44 WeakPolarHBondContact O-CB 3.16Å; N40-F44 PolarHBondContact O-N 3.16Å; F44-L48 HydrophobicContact CD2-CB 4.36Å; F44-L48 HydrophobicContact CD2-CD1 4Å; F44-L48 PolarHBondContact O-N 2.9Å; F44-L49 HydrophobicContact CD1-CD1 4Å; F44-L49 HydrophobicContact CD1-CD2 4.28Å; F44-L49 HydrophobicContact CD1-CG 3.81Å; F44-L49 HydrophobicContact CE1-CD1 3.77Å; F44-L49 HydrophobicContact CE1-CD2 3.49Å; F44-L49 VanDerWaalsContact CE1-CD2 3.49Å; F44-L49 HydrophobicContact CE1-CG 3.53Å; F44-L49 HydrophobicContact CZ-CD2 3.71Å; F44-L49 HydrophobicContact CZ-CG 4.14Å; F44-L49 PolarHBondContact O-N 3.31Å; F44-F58 AromaticContact CD1-CD2 3.74Å; F44-F58 HydrophobicContact CD1-CD2 3.74Å; F44-F58 AromaticContact CD1-CE2 3.93Å; F44-F58 HydrophobicContact CD1-CE2 3.93Å; F44-F58 AromaticContact CE1-CD2 3.83Å; F44-F58 HydrophobicContact CE1-CD2 3.83Å; F44-F58 AromaticContact CE1-CE2 3.93Å; F44-F58 HydrophobicContact CE1-CE2 3.93Å; F44-F61 HydrophobicContact CE1-CB 4.46Å; F44-F61 AromaticContact CE1-CD1 3.62Å; F44-F61 HydrophobicContact CE1-CD1 3.62Å; F44-F61 AromaticContact CE1-CE1 3.93Å; F44-F61 HydrophobicContact CE1-CE1 3.93Å; F44-F61 AromaticContact CE1-CG 3.98Å; F44-F61 HydrophobicContact CE1-CG 3.98Å; F44-F61 HydrophobicContact CE2-CE1 4.48Å; F44-F61 AromaticContact CZ-CD1 3.64Å; F44-F61 HydrophobicContact CZ-CD1 3.64Å; F44-F61 HydrophobicContact CZ-CD2 4.24Å; F44-F61 AromaticContact CZ-CE1 3.47Å; F44-F61 HydrophobicContact CZ-CE1 3.47Å; F44-F61 VanDerWaalsContact CZ-CE1 3.47Å; F44-F61 HydrophobicContact CZ-CE2 4.13Å; F44-F61 HydrophobicContact CZ-CG 4.03Å; F44-F61 AromaticContact CZ-CZ 3.75Å; F44-F61 HydrophobicContact CZ-CZ 3.75Å |
| 45 | C | 96.1 | Very high | 95.5 | Very high | 24 Ų | 24 | 55.9 Ų | 55.9 | 16% | 0.162 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -67.2 | -43.3 | 177.4 | -70.3 | 0 | 0 | 0 | 0 | 113.6 | Q41 A42 E43 P50 N56 | Q41-C45 WeakPolarHBondContact O-CB 3.39Å; Q41-C45 PolarHBondContact O-N 3.04Å; Q41-C45 PolarHBondContact O-SG 3.07Å; A42-C45 PolarHBondContact O-N 3.24Å; E43-C45 VanDerWaalsContact C-N 3.31Å; E43-C45 PolarHBondContact O-N 3.36Å; C45-P50 WeakPolarHBondContact O-CD 3.49Å; C45-N56 WeakPolarHBondContact CA-O 3.46Å; C45-N56 WeakPolarHBondContact CB-O 3.02Å; C45-N56 WeakPolarHBondContact O-CA 3.42Å; C45-N56 VanDerWaalsContact O-CB 3.28Å; C45-N56 WeakPolarHBondContact O-CB 3.45Å; C45-N56 PolarHBondContact SG-O 3.42Å |
| 46 | R | 95.4 | Very high | 95.5 | Very high | 150 Ų | 150 | 59.8 Ų | 59.8 | 57% | 0.566 | 31% | 0.307 | S | S | * | . | I | π-helix | trans | -78.2 | -45.1 | -174.3 | -170.9 | -174.2 | 63 | -140.1 | -2.5 | 112.6 | A42 E43 P50 | A42-R46 WeakPolarHBondContact O-CB 3.46Å; A42-R46 PolarHBondContact O-N 2.99Å; E43-R46 PolarHBondContact O-N 3.3Å; E43-R46 IonicContact OE1-NH2 3.79Å; R46-P50 WeakPolarHBondContact O-CG 3.47Å |
| 47 | D | 94.2 | Very high | 95.4 | Very high | 61 Ų | 61 | 62.6 Ų | 62.6 | 33% | 0.326 | 32% | 0.322 | S | S | . | . | I | π-helix | trans | -114.7 | -19.2 | -161.6 | -54.4 | -35.6 | 0 | 0 | 0 | 114 | E43 K51 | E43-D47 WeakPolarHBondContact O-CB 3.44Å; E43-D47 PolarHBondContact O-N 3.46Å; D47-K51 WeakPolarHBondContact O-CD 3.49Å; D47-K51 WeakPolarHBondContact O-CE 3.4Å; D47-K51 PolarHBondContact O-NZ 2.92Å |
| 48 | L | 95 | Very high | 95.4 | Very high | 10 Ų | 10 | 62 Ų | 62 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -106.7 | -51.9 | 178 | -63.6 | -176.5 | 0 | 0 | 0 | 112.6 | M17 T23 V26 V27 F44 P50 K51 Y52 | M17-L48 HydrophobicContact SD-CB 4.36Å; T23-L48 HydrophobicContact CG2-CD1 4.26Å; T23-L48 HydrophobicContact CG2-CD2 3.7Å; V26-L48 HydrophobicContact CB-CD1 3.94Å; V26-L48 HydrophobicContact CG1-CD1 3.66Å; V26-L48 HydrophobicContact CG1-CG 4.35Å; V27-L48 HydrophobicContact CG1-CD1 3.64Å; F44-L48 HydrophobicContact CD2-CB 4.36Å; F44-L48 HydrophobicContact CD2-CD1 4Å; F44-L48 PolarHBondContact O-N 2.9Å; L48-P50 VanDerWaalsContact C-N 3.33Å; L48-K51 WeakPolarHBondContact O-CB 3.46Å; L48-K51 PolarHBondContact O-N 3.02Å; L48-Y52 PolarHBondContact O-N 3.02Å |
| 49 | L | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -54 | -40.4 | -177.4 | -75.7 | -174.1 | 0 | 0 | 0 | 113.6 | F44 K51 F53 H55 F61 | F44-L49 HydrophobicContact CD1-CD1 4Å; F44-L49 HydrophobicContact CD1-CD2 4.28Å; F44-L49 HydrophobicContact CD1-CG 3.81Å; F44-L49 HydrophobicContact CE1-CD1 3.77Å; F44-L49 HydrophobicContact CE1-CD2 3.49Å; F44-L49 VanDerWaalsContact CE1-CD2 3.49Å; F44-L49 HydrophobicContact CE1-CG 3.53Å; F44-L49 HydrophobicContact CZ-CD2 3.71Å; F44-L49 HydrophobicContact CZ-CG 4.14Å; F44-L49 PolarHBondContact O-N 3.31Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.43Å; L49-F53 HydrophobicContact CD2-CD2 3.64Å; L49-F53 HydrophobicContact CD2-CE2 4.18Å; L49-F53 CarbonylContact O-C 3.34Å; L49-F53 WeakPolarHBondContact O-CA 3.37Å; L49-F53 WeakPolarHBondContact O-CB 3.38Å; L49-F53 PolarHBondContact O-N 3.1Å; L49-F53 VanDerWaalsContact O-O 3.07Å; L49-H55 CarbonylContact C-O 3.53Å; L49-H55 WeakPolarHBondContact CB-O 3.29Å; L49-F61 HydrophobicContact CD1-CB 4.23Å; L49-F61 HydrophobicContact CD2-CB 3.95Å; L49-F61 HydrophobicContact CD2-CD2 3.89Å; L49-F61 HydrophobicContact CD2-CG 3.98Å |
| 50 | P | 95.3 | Very high | 95.3 | Very high | 70 Ų | 70 | 63.9 Ų | 63.9 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -71.9 | -17.9 | 177.2 | -22.7 | 37 | 0 | 0 | 0 | 115.4 | C45 R46 L48 N56 | C45-P50 WeakPolarHBondContact O-CD 3.49Å; R46-P50 WeakPolarHBondContact O-CG 3.47Å; L48-P50 VanDerWaalsContact C-N 3.33Å; P50-N56 HydrophobicContact CG-CB 4.12Å |
| 51 | K | 94.9 | Very high | 95.5 | Very high | 150 Ų | 150 | 61.3 Ų | 61.3 | 65% | 0.652 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -76.8 | -45.7 | 175 | -65.7 | 174.6 | -178.4 | 142.6 | 0 | 110.6 | D47 L48 L49 | D47-K51 WeakPolarHBondContact O-CD 3.49Å; D47-K51 WeakPolarHBondContact O-CE 3.4Å; D47-K51 PolarHBondContact O-NZ 2.92Å; L48-K51 WeakPolarHBondContact O-CB 3.46Å; L48-K51 PolarHBondContact O-N 3.02Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.43Å |
| 52 | Y | 95.3 | Very high | 95.6 | Very high | 31 Ų | 31 | 58.6 Ų | 58.6 | 12% | 0.122 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -90.5 | -35.7 | -176.1 | -66.3 | -85 | 0 | 0 | 0 | 112.8 | K13 E16 M17 L48 | K13-Y52 HydrophobicContact CB-CD1 4.35Å; K13-Y52 VanDerWaalsContact CD-O 3.31Å; K13-Y52 WeakPolarHBondContact CD-O 3.45Å; K13-Y52 PolarHBondContact NZ-O 3.02Å; E16-Y52 HydrophobicContact CB-CE1 4.3Å; E16-Y52 HydrophobicContact CG-CE1 4.02Å; M17-Y52 HydrophobicContact CB-CD1 3.95Å; M17-Y52 HydrophobicContact CB-CD2 3.78Å; M17-Y52 HydrophobicContact CB-CE1 3.86Å; M17-Y52 HydrophobicContact CB-CE2 3.69Å; M17-Y52 HydrophobicContact CB-CG 3.92Å; M17-Y52 HydrophobicContact CG-CD2 3.58Å; M17-Y52 HydrophobicContact CG-CE2 3.57Å; M17-Y52 HydrophobicContact CG-CG 4.16Å; M17-Y52 HydrophobicContact SD-CD2 3.8Å; M17-Y52 HydrophobicContact SD-CE2 4.38Å; M17-Y52 HydrophobicContact SD-CG 4.22Å; L48-Y52 PolarHBondContact O-N 3.02Å |
| 53 | F | 95.7 | Very high | 95.6 | Very high | 27 Ų | 27 | 63.1 Ų | 63.1 | 12% | 0.118 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -125.9 | 165.4 | -170.5 | -55.5 | -71.6 | 0 | 0 | 0 | 113 | F10 K13 M17 L49 H55 F61 | F10-F53 HydrophobicContact CD2-CD1 4.4Å; F10-F53 AromaticContact CD2-CE1 3.62Å; F10-F53 HydrophobicContact CD2-CE1 3.62Å; F10-F53 AromaticContact CD2-CZ 3.94Å; F10-F53 HydrophobicContact CD2-CZ 3.94Å; F10-F53 HydrophobicContact CE2-CE1 4.13Å; F10-F53 HydrophobicContact CE2-CZ 4.04Å; K13-F53 HydrophobicContact CB-CE1 3.96Å; K13-F53 HydrophobicContact CB-CZ 3.93Å; K13-F53 HydrophobicContact CD-CE1 4.43Å; M17-F53 HydrophobicContact CE-CE2 4.3Å; M17-F53 HydrophobicContact SD-CE2 4.15Å; L49-F53 HydrophobicContact CD2-CD2 3.64Å; L49-F53 HydrophobicContact CD2-CE2 4.18Å; L49-F53 CarbonylContact O-C 3.34Å; L49-F53 WeakPolarHBondContact O-CA 3.37Å; L49-F53 WeakPolarHBondContact O-CB 3.38Å; L49-F53 PolarHBondContact O-N 3.1Å; L49-F53 VanDerWaalsContact O-O 3.07Å; F53-H55 PolarHBondContact O-N 2.91Å; F53-F61 HydrophobicContact CE2-CD2 4.06Å; F53-F61 HydrophobicContact CE2-CE2 4.08Å; F53-F61 HydrophobicContact CZ-CE2 4.41Å |
| 54 | K | 94.3 | Very high | 95.6 | Very high | 221 Ų | 221 | 62.8 Ų | 62.8 | 96% | 0.961 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -89.6 | 35.3 | -178.8 | -63.3 | -170.2 | 176.6 | -173.3 | 0 | 112.8 | ||
| 55 | H | 94.9 | Very high | 95.6 | Very high | 54 Ų | 54 | 62.8 Ų | 62.8 | 25% | 0.25 | 30% | 0.303 | C | S | . | . | trans | -160.1 | 161.4 | 176.9 | 57.6 | 80.6 | 0 | 0 | 0 | 110.4 | L49 F53 N57 | L49-H55 CarbonylContact C-O 3.53Å; L49-H55 WeakPolarHBondContact CB-O 3.29Å; F53-H55 PolarHBondContact O-N 2.91Å; H55-N57 PolarHBondContact ND1-O 3.46Å | ||
| 56 | N | 95.6 | Very high | 95.6 | Very high | 87 Ų | 87 | 65.6 Ų | 65.6 | 47% | 0.465 | 32% | 0.316 | S | S | . | . | trans | -102.3 | -6 | 168.4 | 60.9 | -16.4 | 0 | 0 | 0 | 113 | C45 P50 | C45-N56 WeakPolarHBondContact CA-O 3.46Å; C45-N56 WeakPolarHBondContact CB-O 3.02Å; C45-N56 WeakPolarHBondContact O-CA 3.42Å; C45-N56 VanDerWaalsContact O-CB 3.28Å; C45-N56 WeakPolarHBondContact O-CB 3.45Å; C45-N56 PolarHBondContact SG-O 3.42Å; P50-N56 HydrophobicContact CG-CB 4.12Å | ||
| 57 | N | 95.7 | Very high | 95.5 | Very high | 59 Ų | 59 | 59.8 Ų | 59.8 | 32% | 0.316 | 30% | 0.298 | S | S | . | . | trans | -79.6 | 123.7 | -171.4 | -174.8 | -30.7 | 0 | 0 | 0 | 112.7 | H55 S59 S60 | H55-N57 PolarHBondContact ND1-O 3.46Å; N57-S59 WeakPolarHBondContact OD1-CA 3.32Å; N57-S59 VanDerWaalsContact OD1-CB 3.31Å; N57-S59 WeakPolarHBondContact OD1-CB 3.35Å; N57-S59 PolarHBondContact OD1-N 3.45Å; N57-S60 PolarHBondContact O-N 3.48Å | ||
| 58 | F | 96.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 58.2 Ų | 58.2 | 4% | 0.044 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 176.3 | -165.9 | -119.8 | 0 | 0 | 0 | 113.5 | V38 Q41 F44 S60 F61 V62 W78 F80 | V38-F58 HydrophobicContact CG1-CE2 4.23Å; V38-F58 HydrophobicContact CG2-CE2 4.39Å; Q41-F58 HydrophobicContact CG-CB 4.41Å; Q41-F58 HydrophobicContact CG-CD1 4.09Å; Q41-F58 HydrophobicContact CG-CD2 4.05Å; Q41-F58 HydrophobicContact CG-CE1 4.34Å; Q41-F58 HydrophobicContact CG-CE2 4.31Å; Q41-F58 HydrophobicContact CG-CG 3.94Å; Q41-F58 HydrophobicContact CG-CZ 4.44Å; F44-F58 AromaticContact CD1-CD2 3.74Å; F44-F58 HydrophobicContact CD1-CD2 3.74Å; F44-F58 AromaticContact CD1-CE2 3.93Å; F44-F58 HydrophobicContact CD1-CE2 3.93Å; F44-F58 AromaticContact CE1-CD2 3.83Å; F44-F58 HydrophobicContact CE1-CD2 3.83Å; F44-F58 AromaticContact CE1-CE2 3.93Å; F44-F58 HydrophobicContact CE1-CE2 3.93Å; F58-S60 PolarHBondContact O-N 3.25Å; F58-F61 HydrophobicContact CE2-CD1 4.41Å; F58-F61 WeakPolarHBondContact O-CA 3.5Å; F58-F61 WeakPolarHBondContact O-CB 3.37Å; F58-F61 PolarHBondContact O-N 3.02Å; F58-V62 HydrophobicContact CD1-CG2 3.76Å; F58-V62 HydrophobicContact CE1-CG2 3.49Å; F58-V62 VanDerWaalsContact CE1-CG2 3.49Å; F58-V62 HydrophobicContact CE2-CG2 4.29Å; F58-V62 HydrophobicContact CG-CG2 4.27Å; F58-V62 HydrophobicContact CZ-CG2 3.78Å; F58-V62 PolarHBondContact O-N 2.86Å; F58-W78 AromaticContact CE1-CD2 3.6Å; F58-W78 HydrophobicContact CE1-CD2 3.6Å; F58-W78 AromaticContact CE1-CE2 3.61Å; F58-W78 AromaticContact CE1-CE3 3.77Å; F58-W78 HydrophobicContact CE1-CE3 3.77Å; F58-W78 HydrophobicContact CE1-CG 4.17Å; F58-W78 AromaticContact CE1-CH2 4Å; F58-W78 HydrophobicContact CE1-CH2 4Å; F58-W78 AromaticContact CE1-CZ2 3.82Å; F58-W78 HydrophobicContact CE1-CZ2 3.82Å; F58-W78 AromaticContact CE1-CZ3 3.97Å; F58-W78 HydrophobicContact CE1-CZ3 3.97Å; F58-W78 HydrophobicContact CZ-CB 4.25Å; F58-W78 AromaticContact CZ-CD2 3.71Å; F58-W78 HydrophobicContact CZ-CD2 3.71Å; F58-W78 HydrophobicContact CZ-CE3 4.01Å; F58-W78 AromaticContact CZ-CG 3.82Å; F58-W78 HydrophobicContact CZ-CG 3.82Å; F58-F80 HydrophobicContact CZ-CE2 4.31Å; F58-F80 HydrophobicContact CZ-CZ 4.5Å |
| 59 | S | 95.8 | Very high | 95.5 | Very high | 72 Ų | 72 | 58.5 Ų | 58.5 | 50% | 0.503 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.7 | -30.7 | -177.7 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | N57 R63 | N57-S59 WeakPolarHBondContact OD1-CA 3.32Å; N57-S59 VanDerWaalsContact OD1-CB 3.31Å; N57-S59 WeakPolarHBondContact OD1-CB 3.35Å; N57-S59 PolarHBondContact OD1-N 3.45Å; S59-R63 WeakPolarHBondContact O-CB 3.5Å; S59-R63 PolarHBondContact O-N 3.19Å |
| 60 | S | 95.4 | Very high | 95.6 | Very high | 47 Ų | 47 | 58.8 Ų | 58.8 | 33% | 0.329 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 171.2 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | N57 F58 Q64 | N57-S60 PolarHBondContact O-N 3.48Å; F58-S60 PolarHBondContact O-N 3.25Å; S60-Q64 VanDerWaalsContact O-CG 3.32Å; S60-Q64 WeakPolarHBondContact O-CG 3.38Å; S60-Q64 PolarHBondContact O-N 3.5Å |
| 61 | F | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.3 | -47.9 | 174.5 | 177.5 | -105 | 0 | 0 | 0 | 111.5 | F10 T14 M17 F36 F44 L49 F53 F58 R63 Q64 L65 | F10-F61 AromaticContact CE2-CD2 3.74Å; F10-F61 HydrophobicContact CE2-CD2 3.74Å; F10-F61 AromaticContact CE2-CE2 3.87Å; F10-F61 HydrophobicContact CE2-CE2 3.87Å; F10-F61 HydrophobicContact CZ-CD2 4.06Å; F10-F61 AromaticContact CZ-CE2 3.89Å; F10-F61 HydrophobicContact CZ-CE2 3.89Å; T14-F61 HydrophobicContact CG2-CE2 3.97Å; T14-F61 HydrophobicContact CG2-CZ 3.9Å; M17-F61 HydrophobicContact CE-CE2 3.79Å; M17-F61 HydrophobicContact CE-CZ 3.82Å; F36-F61 HydrophobicContact CE2-CE1 4.33Å; F36-F61 HydrophobicContact CE2-CZ 4.27Å; F36-F61 HydrophobicContact CZ-CE1 4.48Å; F36-F61 HydrophobicContact CZ-CZ 4.24Å; F44-F61 HydrophobicContact CE1-CB 4.46Å; F44-F61 AromaticContact CE1-CD1 3.62Å; F44-F61 HydrophobicContact CE1-CD1 3.62Å; F44-F61 AromaticContact CE1-CE1 3.93Å; F44-F61 HydrophobicContact CE1-CE1 3.93Å; F44-F61 AromaticContact CE1-CG 3.98Å; F44-F61 HydrophobicContact CE1-CG 3.98Å; F44-F61 HydrophobicContact CE2-CE1 4.48Å; F44-F61 AromaticContact CZ-CD1 3.64Å; F44-F61 HydrophobicContact CZ-CD1 3.64Å; F44-F61 HydrophobicContact CZ-CD2 4.24Å; F44-F61 AromaticContact CZ-CE1 3.47Å; F44-F61 HydrophobicContact CZ-CE1 3.47Å; F44-F61 VanDerWaalsContact CZ-CE1 3.47Å; F44-F61 HydrophobicContact CZ-CE2 4.13Å; F44-F61 HydrophobicContact CZ-CG 4.03Å; F44-F61 AromaticContact CZ-CZ 3.75Å; F44-F61 HydrophobicContact CZ-CZ 3.75Å; L49-F61 HydrophobicContact CD1-CB 4.23Å; L49-F61 HydrophobicContact CD2-CB 3.95Å; L49-F61 HydrophobicContact CD2-CD2 3.89Å; L49-F61 HydrophobicContact CD2-CG 3.98Å; F53-F61 HydrophobicContact CE2-CD2 4.06Å; F53-F61 HydrophobicContact CE2-CE2 4.08Å; F53-F61 HydrophobicContact CZ-CE2 4.41Å; F58-F61 HydrophobicContact CE2-CD1 4.41Å; F58-F61 WeakPolarHBondContact O-CA 3.5Å; F58-F61 WeakPolarHBondContact O-CB 3.37Å; F58-F61 PolarHBondContact O-N 3.02Å; F61-R63 VanDerWaalsContact C-N 3.34Å; F61-R63 PolarHBondContact O-N 3.19Å; F61-Q64 WeakPolarHBondContact O-CA 3.39Å; F61-Q64 WeakPolarHBondContact O-CB 3.49Å; F61-Q64 PolarHBondContact O-N 3.49Å; F61-L65 HydrophobicContact CD1-CD1 3.96Å; F61-L65 HydrophobicContact CD1-CG 4.37Å; F61-L65 HydrophobicContact CE1-CD1 3.5Å; F61-L65 VanDerWaalsContact CE1-CD1 3.5Å; F61-L65 HydrophobicContact CE1-CD2 4.44Å; F61-L65 HydrophobicContact CE1-CG 4.03Å; F61-L65 HydrophobicContact CZ-CD1 4Å; F61-L65 HydrophobicContact CZ-CD2 4.11Å; F61-L65 HydrophobicContact CZ-CG 4.14Å; F61-L65 PolarHBondContact O-N 2.63Å |
| 62 | V | 96.6 | Very high | 95.7 | Very high | 23 Ų | 23 | 58.6 Ų | 58.6 | 14% | 0.139 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62 | -39 | 176.6 | 177.3 | 0 | 0 | 0 | 0 | 111.8 | F58 Q64 L65 N66 F80 | F58-V62 HydrophobicContact CD1-CG2 3.76Å; F58-V62 HydrophobicContact CE1-CG2 3.49Å; F58-V62 VanDerWaalsContact CE1-CG2 3.49Å; F58-V62 HydrophobicContact CE2-CG2 4.29Å; F58-V62 HydrophobicContact CG-CG2 4.27Å; F58-V62 HydrophobicContact CZ-CG2 3.78Å; F58-V62 PolarHBondContact O-N 2.86Å; V62-Q64 VanDerWaalsContact C-N 3.27Å; V62-Q64 PolarHBondContact O-N 2.98Å; V62-L65 WeakPolarHBondContact O-CB 3.48Å; V62-L65 PolarHBondContact O-N 2.73Å; V62-N66 WeakPolarHBondContact O-CB 3.49Å; V62-N66 VanDerWaalsContact O-CG 3.25Å; V62-N66 PolarHBondContact O-N 3.14Å; V62-F80 HydrophobicContact CG1-CE1 4.35Å; V62-F80 HydrophobicContact CG1-CZ 4.42Å; V62-F80 HydrophobicContact CG2-CZ 3.89Å |
| 63 | R | 94.7 | Very high | 95.7 | Very high | 160 Ų | 160 | 61.3 Ų | 61.3 | 60% | 0.604 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.7 | -37.9 | 173.2 | -177 | 174.7 | -175.8 | 161.7 | 3.5 | 112 | S59 F61 T67 | S59-R63 WeakPolarHBondContact O-CB 3.5Å; S59-R63 PolarHBondContact O-N 3.19Å; F61-R63 VanDerWaalsContact C-N 3.34Å; F61-R63 PolarHBondContact O-N 3.19Å; R63-T67 VanDerWaalsContact O-CB 3.26Å; R63-T67 WeakPolarHBondContact O-CB 3.44Å; R63-T67 PolarHBondContact O-N 2.77Å; R63-T67 VanDerWaalsContact O-N 3.09Å; R63-T67 PolarHBondContact O-OG1 2.96Å |
| 64 | Q | 95.6 | Very high | 95.5 | Very high | 62 Ų | 62 | 61.7 Ų | 61.7 | 29% | 0.29 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -71 | -43.7 | 175.6 | -69.8 | -77.1 | 99.6 | 0 | 0 | 111.7 | F10 S60 F61 V62 N66 T67 Y68 | F10-Q64 HydrophobicContact CD1-CB 4.25Å; F10-Q64 HydrophobicContact CD2-CB 3.7Å; F10-Q64 HydrophobicContact CD2-CG 4.15Å; F10-Q64 HydrophobicContact CE1-CB 3.91Å; F10-Q64 HydrophobicContact CE2-CB 3.33Å; F10-Q64 HydrophobicContact CE2-CG 4.12Å; F10-Q64 HydrophobicContact CG-CB 4.15Å; F10-Q64 HydrophobicContact CZ-CB 3.45Å; F10-Q64 VanDerWaalsContact CZ-CB 3.45Å; S60-Q64 VanDerWaalsContact O-CG 3.32Å; S60-Q64 WeakPolarHBondContact O-CG 3.38Å; S60-Q64 PolarHBondContact O-N 3.5Å; F61-Q64 WeakPolarHBondContact O-CA 3.39Å; F61-Q64 WeakPolarHBondContact O-CB 3.49Å; F61-Q64 PolarHBondContact O-N 3.49Å; V62-Q64 VanDerWaalsContact C-N 3.27Å; V62-Q64 PolarHBondContact O-N 2.98Å; Q64-N66 PolarHBondContact O-N 3.01Å; Q64-T67 WeakPolarHBondContact O-CA 3.4Å; Q64-T67 WeakPolarHBondContact O-CB 3.42Å; Q64-T67 PolarHBondContact O-N 3.18Å; Q64-T67 VanDerWaalsContact O-N 3.11Å; Q64-Y68 VanDerWaalsContact O-CD2 3.27Å; Q64-Y68 WeakPolarHBondContact O-CD2 3.46Å; Q64-Y68 PolarHBondContact O-N 2.7Å; Q64-Y68 VanDerWaalsContact O-N 3.08Å |
| 65 | L | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -53.5 | -53.1 | 172.2 | -71 | -179.3 | 0 | 0 | 0 | 111.8 | F10 T14 F36 F61 V62 T67 Y68 G69 F70 F80 | F10-L65 HydrophobicContact CE1-CD2 4.02Å; F10-L65 HydrophobicContact CZ-CD2 3.82Å; F10-L65 HydrophobicContact CZ-CG 4.1Å; T14-L65 HydrophobicContact CG2-CD2 4.47Å; F36-L65 HydrophobicContact CE1-CD2 4.42Å; F36-L65 HydrophobicContact CZ-CD1 4.01Å; F36-L65 HydrophobicContact CZ-CD2 3.9Å; F61-L65 HydrophobicContact CD1-CD1 3.96Å; F61-L65 HydrophobicContact CD1-CG 4.37Å; F61-L65 HydrophobicContact CE1-CD1 3.5Å; F61-L65 VanDerWaalsContact CE1-CD1 3.5Å; F61-L65 HydrophobicContact CE1-CD2 4.44Å; F61-L65 HydrophobicContact CE1-CG 4.03Å; F61-L65 HydrophobicContact CZ-CD1 4Å; F61-L65 HydrophobicContact CZ-CD2 4.11Å; F61-L65 HydrophobicContact CZ-CG 4.14Å; F61-L65 PolarHBondContact O-N 2.63Å; V62-L65 WeakPolarHBondContact O-CB 3.48Å; V62-L65 PolarHBondContact O-N 2.73Å; L65-T67 PolarHBondContact O-N 3.44Å; L65-Y68 CarbonylContact O-C 3.57Å; L65-Y68 PolarHBondContact O-N 3.2Å; L65-G69 PolarHBondContact O-N 3.29Å; L65-G69 VanDerWaalsContact O-N 3.14Å; L65-F70 HydrophobicContact CB-CB 3.92Å; L65-F70 HydrophobicContact CB-CD2 4.41Å; L65-F70 HydrophobicContact CB-CG 4.26Å; L65-F70 HydrophobicContact CD2-CB 4.33Å; L65-F70 HydrophobicContact CD2-CD1 4.01Å; L65-F70 HydrophobicContact CD2-CD2 3.91Å; L65-F70 HydrophobicContact CD2-CE1 4.27Å; L65-F70 HydrophobicContact CD2-CE2 4.2Å; L65-F70 HydrophobicContact CD2-CG 3.82Å; L65-F70 HydrophobicContact CD2-CZ 4.36Å; L65-F70 WeakPolarHBondContact O-CD2 3.33Å; L65-F70 PolarHBondContact O-N 3.44Å; L65-F70 VanDerWaalsContact O-N 3.08Å; L65-F80 HydrophobicContact CD1-CB 4.24Å; L65-F80 HydrophobicContact CD1-CD1 3.76Å; L65-F80 HydrophobicContact CD1-CD2 3.82Å; L65-F80 HydrophobicContact CD1-CE1 3.98Å; L65-F80 HydrophobicContact CD1-CE2 4.03Å; L65-F80 HydrophobicContact CD1-CG 3.67Å; L65-F80 HydrophobicContact CD1-CZ 4.11Å |
| 66 | N | 95.2 | Very high | 95.3 | Very high | 83 Ų | 83 | 62.5 Ų | 62.5 | 44% | 0.444 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.6 | -35.9 | 177.4 | -66.8 | -12.3 | 0 | 0 | 0 | 112.2 | V62 Q64 Y68 G69 | V62-N66 WeakPolarHBondContact O-CB 3.49Å; V62-N66 VanDerWaalsContact O-CG 3.25Å; V62-N66 PolarHBondContact O-N 3.14Å; Q64-N66 PolarHBondContact O-N 3.01Å; N66-Y68 VanDerWaalsContact C-N 3.31Å; N66-Y68 PolarHBondContact O-N 2.7Å; N66-G69 PolarHBondContact O-N 3.14Å; N66-G69 VanDerWaalsContact O-N 3.15Å |
| 67 | T | 93.6 | Very high | 95.2 | Very high | 29 Ų | 29 | 63 Ų | 63 | 18% | 0.178 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.9 | -26.2 | 177.6 | -66.4 | 0 | 0 | 0 | 0 | 113.1 | R63 Q64 L65 R98 R99 | R63-T67 VanDerWaalsContact O-CB 3.26Å; R63-T67 WeakPolarHBondContact O-CB 3.44Å; R63-T67 PolarHBondContact O-N 2.77Å; R63-T67 VanDerWaalsContact O-N 3.09Å; R63-T67 PolarHBondContact O-OG1 2.96Å; Q64-T67 WeakPolarHBondContact O-CA 3.4Å; Q64-T67 WeakPolarHBondContact O-CB 3.42Å; Q64-T67 PolarHBondContact O-N 3.18Å; Q64-T67 VanDerWaalsContact O-N 3.11Å; L65-T67 PolarHBondContact O-N 3.44Å; T67-R98 HydrophobicContact CG2-CG 3.53Å; T67-R98 VanDerWaalsContact CG2-NE 3.28Å; T67-R99 PolarHBondContact O-N 2.87Å |
| 68 | Y | 95.8 | Very high | 95.2 | Very high | 27 Ų | 27 | 64.1 Ų | 64.1 | 11% | 0.106 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 7 | 172 | -72.6 | -75.2 | 0 | 0 | 0 | 113.6 | P8 F10 L11 Q64 L65 N66 I96 R98 | P8-Y68 HydrophobicContact CB-CE1 3.98Å; P8-Y68 WeakPolarHBondContact CB-OH 3.36Å; P8-Y68 HydrophobicContact CG-CE1 4Å; F10-Y68 HydrophobicContact CB-CE2 3.93Å; F10-Y68 AromaticContact CD1-CD2 3.36Å; F10-Y68 HydrophobicContact CD1-CD2 3.36Å; F10-Y68 AromaticContact CD1-CE2 3.46Å; F10-Y68 HydrophobicContact CD1-CE2 3.46Å; F10-Y68 VanDerWaalsContact CD1-CE2 3.46Å; F10-Y68 HydrophobicContact CD1-CG 4.39Å; F10-Y68 AromaticContact CE1-CD2 3.81Å; F10-Y68 HydrophobicContact CE1-CD2 3.81Å; F10-Y68 HydrophobicContact CE1-CE2 4.32Å; F10-Y68 HydrophobicContact CG-CD2 4.27Å; F10-Y68 AromaticContact CG-CE2 3.94Å; F10-Y68 HydrophobicContact CG-CE2 3.94Å; L11-Y68 HydrophobicContact CD1-CD1 3.91Å; L11-Y68 HydrophobicContact CD1-CE1 4.1Å; L11-Y68 HydrophobicContact CD1-CG 4.46Å; L11-Y68 HydrophobicContact CD2-CD1 4.18Å; L11-Y68 HydrophobicContact CD2-CD2 4.23Å; L11-Y68 HydrophobicContact CD2-CG 3.9Å; L11-Y68 HydrophobicContact CG-CD1 4.16Å; L11-Y68 HydrophobicContact CG-CE1 4.32Å; L11-Y68 HydrophobicContact CG-CG 4.29Å; Q64-Y68 VanDerWaalsContact O-CD2 3.27Å; Q64-Y68 WeakPolarHBondContact O-CD2 3.46Å; Q64-Y68 PolarHBondContact O-N 2.7Å; Q64-Y68 VanDerWaalsContact O-N 3.08Å; L65-Y68 CarbonylContact O-C 3.57Å; L65-Y68 PolarHBondContact O-N 3.2Å; N66-Y68 VanDerWaalsContact C-N 3.31Å; N66-Y68 PolarHBondContact O-N 2.7Å; Y68-I96 HydrophobicContact CD1-CG2 4.25Å; Y68-I96 HydrophobicContact CG-CG2 4.47Å; Y68-I96 WeakPolarHBondContact O-CG2 3.41Å; Y68-R98 HydrophobicContact CD1-CB 4.37Å; Y68-R98 HydrophobicContact CE1-CB 3.93Å; Y68-R98 HydrophobicContact CE1-CG 4.28Å |
| 69 | G | 94.9 | Very high | 95.2 | Very high | 17 Ų | 17 | 65.1 Ų | 65.1 | 18% | 0.175 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 21.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L65 N66 N82 | L65-G69 PolarHBondContact O-N 3.29Å; L65-G69 VanDerWaalsContact O-N 3.14Å; N66-G69 PolarHBondContact O-N 3.14Å; N66-G69 VanDerWaalsContact O-N 3.15Å; G69-N82 PolarHBondContact O-ND2 3.21Å; G69-N82 VanDerWaalsContact O-ND2 3.13Å |
| 70 | F | 97 | Very high | 95.3 | Very high | 6 Ų | 6 | 61.8 Ų | 61.8 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | trans | -67.8 | 152.7 | 162.6 | -68.8 | -105.1 | 0 | 0 | 0 | 110.1 | L11 F36 L65 A81 N82 F85 I96 | L11-F70 HydrophobicContact CD2-CE2 3.8Å; L11-F70 HydrophobicContact CD2-CZ 4.2Å; F36-F70 HydrophobicContact CE1-CD1 4.08Å; F36-F70 AromaticContact CE1-CE1 3.89Å; F36-F70 HydrophobicContact CE1-CE1 3.89Å; L65-F70 HydrophobicContact CB-CB 3.92Å; L65-F70 HydrophobicContact CB-CD2 4.41Å; L65-F70 HydrophobicContact CB-CG 4.26Å; L65-F70 HydrophobicContact CD2-CB 4.33Å; L65-F70 HydrophobicContact CD2-CD1 4.01Å; L65-F70 HydrophobicContact CD2-CD2 3.91Å; L65-F70 HydrophobicContact CD2-CE1 4.27Å; L65-F70 HydrophobicContact CD2-CE2 4.2Å; L65-F70 HydrophobicContact CD2-CG 3.82Å; L65-F70 HydrophobicContact CD2-CZ 4.36Å; L65-F70 WeakPolarHBondContact O-CD2 3.33Å; L65-F70 PolarHBondContact O-N 3.44Å; L65-F70 VanDerWaalsContact O-N 3.08Å; F70-A81 VanDerWaalsContact CA-O 3.31Å; F70-A81 WeakPolarHBondContact CA-O 3.35Å; F70-N82 HydrophobicContact CD1-CB 3.59Å; F70-N82 HydrophobicContact CD2-CB 4.24Å; F70-N82 HydrophobicContact CE1-CB 3.7Å; F70-N82 HydrophobicContact CE2-CB 4.33Å; F70-N82 HydrophobicContact CG-CB 3.88Å; F70-N82 HydrophobicContact CZ-CB 4.07Å; F70-F85 HydrophobicContact CE1-CB 3.67Å; F70-F85 AromaticContact CE1-CD1 3.79Å; F70-F85 HydrophobicContact CE1-CD1 3.79Å; F70-F85 AromaticContact CE1-CD2 3.89Å; F70-F85 HydrophobicContact CE1-CD2 3.89Å; F70-F85 HydrophobicContact CE1-CE1 4.39Å; F70-F85 HydrophobicContact CE1-CE2 4.48Å; F70-F85 AromaticContact CE1-CG 3.51Å; F70-F85 HydrophobicContact CE1-CG 3.51Å; F70-F85 HydrophobicContact CZ-CB 3.82Å; F70-F85 HydrophobicContact CZ-CD1 4.3Å; F70-F85 AromaticContact CZ-CD2 3.53Å; F70-F85 HydrophobicContact CZ-CD2 3.53Å; F70-F85 HydrophobicContact CZ-CE2 4.12Å; F70-F85 AromaticContact CZ-CG 3.63Å; F70-F85 HydrophobicContact CZ-CG 3.63Å; F70-I96 HydrophobicContact CE2-CG2 4.37Å; F70-I96 HydrophobicContact CZ-CD1 4.4Å | ||
| 71 | K | 96.4 | Very high | 95.4 | Very high | 133 Ų | 133 | 60.5 Ų | 60.5 | 58% | 0.578 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 140.5 | 175.5 | -60.2 | 169.5 | -172.7 | 162.9 | 0 | 108.9 | I73 F80 A81 | K71-I73 HydrophobicContact CB-CG2 4.23Å; K71-F80 VanDerWaalsContact O-CA 3.31Å; K71-F80 WeakPolarHBondContact O-CA 3.44Å; K71-A81 PolarHBondContact N-O 2.76Å; K71-A81 PolarHBondContact O-N 3.4Å |
| 72 | K | 96.7 | Very high | 95.4 | Very high | 82 Ų | 82 | 61.6 Ų | 61.6 | 36% | 0.357 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 126 | 161.4 | 173.8 | 167.7 | 169.8 | 162.3 | 0 | 107.4 | D74 P75 Q77 W78 E79 F80 | K72-D74 WeakPolarHBondContact CE-O 3.18Å; K72-D74 VanDerWaalsContact CG-O 3.24Å; K72-D74 WeakPolarHBondContact CG-O 3.22Å; K72-P75 WeakPolarHBondContact CE-O 3.45Å; K72-P75 PolarHBondContact NZ-O 3.16Å; K72-Q77 WeakPolarHBondContact CE-O 3.46Å; K72-Q77 PolarHBondContact NZ-O 3.41Å; K72-Q77 VanDerWaalsContact NZ-O 3.09Å; K72-W78 HydrophobicContact CD-CE3 3.87Å; K72-W78 HydrophobicContact CD-CZ3 3.85Å; K72-E79 VanDerWaalsContact CA-O 3.29Å; K72-E79 WeakPolarHBondContact CA-O 3.34Å; K72-F80 HydrophobicContact CB-CD1 4.13Å; K72-F80 HydrophobicContact CB-CE1 3.92Å |
| 73 | I | 94.8 | Very high | 95.4 | Very high | 89 Ų | 89 | 66.7 Ų | 66.7 | 46% | 0.456 | 33% | 0.327 | S | S | . | . | trans | -113.7 | -26.4 | -170.8 | 54.9 | 162.3 | 0 | 0 | 0 | 115 | K71 E79 A81 | K71-I73 HydrophobicContact CB-CG2 4.23Å; I73-E79 HydrophobicContact CD1-CG 3.91Å; I73-E79 WeakPolarHBondContact CD1-OE1 3.44Å; I73-E79 HydrophobicContact CG1-CB 4.15Å; I73-E79 HydrophobicContact CG1-CG 3.72Å; I73-E79 PolarHBondContact N-O 3.41Å; I73-A81 HydrophobicContact CD1-CB 3.71Å; I73-A81 HydrophobicContact CG1-CB 4.18Å; I73-A81 HydrophobicContact CG2-CB 3.95Å | ||
| 74 | D | 92.5 | Very high | 95.5 | Very high | 35 Ų | 35 | 60.6 Ų | 60.6 | 19% | 0.187 | 31% | 0.306 | C | S | . | . | trans | -97 | 133.7 | 164.6 | -176.8 | -35.1 | 0 | 0 | 0 | 107.8 | K72 E76 Q77 E79 | K72-D74 WeakPolarHBondContact CE-O 3.18Å; K72-D74 VanDerWaalsContact CG-O 3.24Å; K72-D74 WeakPolarHBondContact CG-O 3.22Å; D74-E76 WeakPolarHBondContact OD1-CA 3.48Å; D74-E76 PolarHBondContact OD1-N 3.13Å; D74-Q77 HydrophobicContact CB-CB 4.08Å; D74-Q77 PolarHBondContact OD1-N 3.01Å; D74-Q77 WeakPolarHBondContact OD2-CG 3.42Å; D74-Q77 PolarHBondContact OD2-NE2 3.26Å; D74-E79 HydrophobicContact CB-CB 4.02Å | ||
| 75 | P | 91.5 | Very high | 95.5 | Very high | 108 Ų | 108 | 57.7 Ų | 57.7 | 70% | 0.701 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -72.2 | -36 | 174.6 | 28.2 | -33.3 | 0 | 0 | 0 | 113.7 | K72 | K72-P75 WeakPolarHBondContact CE-O 3.45Å; K72-P75 PolarHBondContact NZ-O 3.16Å |
| 76 | E | 92.9 | Very high | 95.5 | Very high | 184 Ų | 184 | 59.1 Ų | 59.1 | 86% | 0.86 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -82.5 | -38.4 | -174.7 | -65.7 | 178.1 | -171.2 | 0 | 0 | 111.5 | D74 | D74-E76 WeakPolarHBondContact OD1-CA 3.48Å; D74-E76 PolarHBondContact OD1-N 3.13Å |
| 77 | Q | 93 | Very high | 95.5 | Very high | 97 Ų | 97 | 60.7 Ų | 60.7 | 45% | 0.453 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -96.3 | 164.6 | 179.5 | -62.3 | -175.8 | 88.6 | 0 | 0 | 113.6 | V37 K72 D74 E79 | V37-Q77 HydrophobicContact CG1-CB 4.4Å; K72-Q77 WeakPolarHBondContact CE-O 3.46Å; K72-Q77 PolarHBondContact NZ-O 3.41Å; K72-Q77 VanDerWaalsContact NZ-O 3.09Å; D74-Q77 HydrophobicContact CB-CB 4.08Å; D74-Q77 PolarHBondContact OD1-N 3.01Å; D74-Q77 WeakPolarHBondContact OD2-CG 3.42Å; D74-Q77 PolarHBondContact OD2-NE2 3.26Å; Q77-E79 PolarHBondContact O-N 3.25Å |
| 78 | W | 96.3 | Very high | 95.6 | Very high | 82 Ų | 82 | 62.2 Ų | 62.2 | 31% | 0.311 | 32% | 0.321 | S | S | . | . | trans | -88.4 | 54 | 169.1 | -68.3 | 120.9 | 0 | 0 | 0 | 111.5 | V38 F58 K72 F80 | V38-W78 HydrophobicContact CB-CB 3.92Å; V38-W78 PolarHBondContact N-O 3.03Å; F58-W78 AromaticContact CE1-CD2 3.6Å; F58-W78 HydrophobicContact CE1-CD2 3.6Å; F58-W78 AromaticContact CE1-CE2 3.61Å; F58-W78 AromaticContact CE1-CE3 3.77Å; F58-W78 HydrophobicContact CE1-CE3 3.77Å; F58-W78 HydrophobicContact CE1-CG 4.17Å; F58-W78 AromaticContact CE1-CH2 4Å; F58-W78 HydrophobicContact CE1-CH2 4Å; F58-W78 AromaticContact CE1-CZ2 3.82Å; F58-W78 HydrophobicContact CE1-CZ2 3.82Å; F58-W78 AromaticContact CE1-CZ3 3.97Å; F58-W78 HydrophobicContact CE1-CZ3 3.97Å; F58-W78 HydrophobicContact CZ-CB 4.25Å; F58-W78 AromaticContact CZ-CD2 3.71Å; F58-W78 HydrophobicContact CZ-CD2 3.71Å; F58-W78 HydrophobicContact CZ-CE3 4.01Å; F58-W78 AromaticContact CZ-CG 3.82Å; F58-W78 HydrophobicContact CZ-CG 3.82Å; K72-W78 HydrophobicContact CD-CE3 3.87Å; K72-W78 HydrophobicContact CD-CZ3 3.85Å; W78-F80 HydrophobicContact CB-CE2 4.11Å; W78-F80 HydrophobicContact CE3-CE2 4.23Å; W78-F80 AromaticContact CE3-CZ 3.83Å; W78-F80 HydrophobicContact CE3-CZ 3.83Å; W78-F80 HydrophobicContact CZ3-CZ 4.42Å; W78-F80 WeakPolarHBondContact O-CD2 3.29Å | ||
| 79 | E | 97.5 | Very high | 95.5 | Very high | 31 Ų | 31 | 64.1 Ų | 64.1 | 15% | 0.145 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 125.7 | 174.7 | -170.6 | 176.4 | 169 | 0 | 0 | 111.5 | T30 S35 F36 V37 K72 I73 D74 Q77 | T30-E79 HydrophobicContact CG2-CG 4.4Å; T30-E79 VanDerWaalsContact CG2-OE1 3.31Å; T30-E79 WeakPolarHBondContact CG2-OE1 3.27Å; S35-E79 WeakPolarHBondContact CB-OE1 3.3Å; S35-E79 PolarHBondContact OG-OE1 3.25Å; F36-E79 CarbonylContact O-C 3.53Å; F36-E79 WeakPolarHBondContact O-CA 3.08Å; V37-E79 HydrophobicContact CG2-CB 4Å; V37-E79 HydrophobicContact CG2-CG 3.85Å; K72-E79 VanDerWaalsContact CA-O 3.29Å; K72-E79 WeakPolarHBondContact CA-O 3.34Å; I73-E79 HydrophobicContact CD1-CG 3.91Å; I73-E79 WeakPolarHBondContact CD1-OE1 3.44Å; I73-E79 HydrophobicContact CG1-CB 4.15Å; I73-E79 HydrophobicContact CG1-CG 3.72Å; I73-E79 PolarHBondContact N-O 3.41Å; D74-E79 HydrophobicContact CB-CB 4.02Å; Q77-E79 PolarHBondContact O-N 3.25Å |
| 80 | F | 98 | Very high | 95.4 | Very high | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.009 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 138.4 | 178.9 | -61.6 | -85.6 | 0 | 0 | 0 | 112 | S35 F36 F58 V62 L65 K71 K72 W78 | S35-F80 WeakPolarHBondContact CA-O 3.35Å; S35-F80 WeakPolarHBondContact CB-O 3.47Å; F36-F80 HydrophobicContact CD1-CB 4.5Å; F36-F80 HydrophobicContact CE1-CB 3.93Å; F36-F80 HydrophobicContact CE2-CB 4.3Å; F36-F80 HydrophobicContact CE2-CD2 4.14Å; F36-F80 HydrophobicContact CZ-CB 3.81Å; F36-F80 HydrophobicContact CZ-CD2 4.3Å; F36-F80 HydrophobicContact CZ-CG 4.38Å; F36-F80 PolarHBondContact N-O 2.92Å; F36-F80 PolarHBondContact O-N 3.04Å; F58-F80 HydrophobicContact CZ-CE2 4.31Å; F58-F80 HydrophobicContact CZ-CZ 4.5Å; V62-F80 HydrophobicContact CG1-CE1 4.35Å; V62-F80 HydrophobicContact CG1-CZ 4.42Å; V62-F80 HydrophobicContact CG2-CZ 3.89Å; L65-F80 HydrophobicContact CD1-CB 4.24Å; L65-F80 HydrophobicContact CD1-CD1 3.76Å; L65-F80 HydrophobicContact CD1-CD2 3.82Å; L65-F80 HydrophobicContact CD1-CE1 3.98Å; L65-F80 HydrophobicContact CD1-CE2 4.03Å; L65-F80 HydrophobicContact CD1-CG 3.67Å; L65-F80 HydrophobicContact CD1-CZ 4.11Å; K71-F80 VanDerWaalsContact O-CA 3.31Å; K71-F80 WeakPolarHBondContact O-CA 3.44Å; K72-F80 HydrophobicContact CB-CD1 4.13Å; K72-F80 HydrophobicContact CB-CE1 3.92Å; W78-F80 HydrophobicContact CB-CE2 4.11Å; W78-F80 HydrophobicContact CE3-CE2 4.23Å; W78-F80 AromaticContact CE3-CZ 3.83Å; W78-F80 HydrophobicContact CE3-CZ 3.83Å; W78-F80 HydrophobicContact CZ3-CZ 4.42Å; W78-F80 WeakPolarHBondContact O-CD2 3.29Å |
| 81 | A | 97.3 | Very high | 95.2 | Very high | 20 Ų | 20 | 74.1 Ų | 74.1 | 17% | 0.165 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 151.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F70 K71 I73 | F70-A81 VanDerWaalsContact CA-O 3.31Å; F70-A81 WeakPolarHBondContact CA-O 3.35Å; K71-A81 PolarHBondContact N-O 2.76Å; K71-A81 PolarHBondContact O-N 3.4Å; I73-A81 HydrophobicContact CD1-CB 3.71Å; I73-A81 HydrophobicContact CG1-CB 4.18Å; I73-A81 HydrophobicContact CG2-CB 3.95Å |
| 82 | N | 97.1 | Very high | 95.1 | Very high | 24 Ų | 24 | 71.6 Ų | 71.6 | 13% | 0.128 | 36% | 0.36 | C | S | . | . | trans | -154.4 | 137.9 | 168.8 | 178.5 | -87.8 | 0 | 0 | 0 | 109.3 | G69 F70 D84 F85 | G69-N82 PolarHBondContact O-ND2 3.21Å; G69-N82 VanDerWaalsContact O-ND2 3.13Å; F70-N82 HydrophobicContact CD1-CB 3.59Å; F70-N82 HydrophobicContact CD2-CB 4.24Å; F70-N82 HydrophobicContact CE1-CB 3.7Å; F70-N82 HydrophobicContact CE2-CB 4.33Å; F70-N82 HydrophobicContact CG-CB 3.88Å; F70-N82 HydrophobicContact CZ-CB 4.07Å; N82-D84 PolarHBondContact O-N 2.9Å; N82-D84 PolarHBondContact OD1-N 3.06Å; N82-F85 HydrophobicContact CB-CB 3.99Å; N82-F85 PolarHBondContact O-N 2.93Å | ||
| 83 | D | 95.9 | Very high | 95 | Very high | 129 Ų | 129 | 67.9 Ų | 67.9 | 69% | 0.69 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15 | -167.5 | -45.3 | -33.4 | 0 | 0 | 0 | 114.4 | R92 | D83-R92 PolarHBondContact O-NH1 3.29Š|
| 84 | D | 96 | Very high | 94.9 | Very high | 32 Ų | 32 | 70 Ų | 70 | 17% | 0.171 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 5.5 | 176 | -86.3 | -55.7 | 0 | 0 | 0 | 114.1 | N82 R92 N95 I96 | N82-D84 PolarHBondContact O-N 2.9Å; N82-D84 PolarHBondContact OD1-N 3.06Å; D84-R92 HydrophobicContact CB-CB 4.09Å; D84-R92 WeakPolarHBondContact O-CB 3.27Å; D84-R92 WeakPolarHBondContact OD1-CD 3.2Å; D84-R92 WeakPolarHBondContact OD1-CG 3.5Å; D84-R92 IonicContact OD1-CZ 3.91Å; D84-R92 IonicContact OD1-NE 2.73Å; D84-R92 IonicContact OD1-NH1 2.96Å; D84-R92 PolarHBondContact OD1-NH1 3.13Å; D84-N95 HydrophobicContact CB-CB 4.02Å; D84-N95 VanDerWaalsContact CG-CB 3.44Å; D84-N95 VanDerWaalsContact CG-ND2 3.29Å; D84-N95 PolarHBondContact OD1-ND2 2.9Å; D84-N95 WeakPolarHBondContact OD2-CB 3.49Å; D84-N95 PolarHBondContact OD2-ND2 3.41Å; D84-I96 HydrophobicContact CB-CD1 4.25Å; D84-I96 HydrophobicContact CB-CG1 3.66Å |
| 85 | F | 96.7 | Very high | 95 | Very high | 1 Ų | 1 | 71.6 Ų | 71.6 | 0% | 0.004 | 36% | 0.358 | C | S | . | . | trans | -102.9 | 77.3 | 174.9 | -165.4 | -94.6 | 0 | 0 | 0 | 110.3 | T14 Y15 W29 F36 F70 N82 L93 I96 | T14-F85 HydrophobicContact CG2-CE2 4.41Å; T14-F85 HydrophobicContact CG2-CZ 4.01Å; Y15-F85 HydrophobicContact CD2-CE2 4.29Å; Y15-F85 HydrophobicContact CD2-CZ 4.41Å; W29-F85 AromaticContact CH2-CD1 3.5Å; W29-F85 HydrophobicContact CH2-CD1 3.5Å; W29-F85 VanDerWaalsContact CH2-CD1 3.5Å; W29-F85 AromaticContact CH2-CE1 3.29Å; W29-F85 HydrophobicContact CH2-CE1 3.29Å; W29-F85 HydrophobicContact CH2-CG 4.36Å; W29-F85 HydrophobicContact CH2-CZ 4.02Å; W29-F85 HydrophobicContact CZ2-CE1 4.05Å; W29-F85 HydrophobicContact CZ2-CZ 4.48Å; W29-F85 AromaticContact CZ3-CD1 3.63Å; W29-F85 HydrophobicContact CZ3-CD1 3.63Å; W29-F85 AromaticContact CZ3-CE1 3.68Å; W29-F85 HydrophobicContact CZ3-CE1 3.68Å; F36-F85 AromaticContact CD1-CD1 3.98Å; F36-F85 HydrophobicContact CD1-CD1 3.98Å; F36-F85 AromaticContact CD1-CE1 3.58Å; F36-F85 HydrophobicContact CD1-CE1 3.58Å; F36-F85 HydrophobicContact CE1-CD1 4.22Å; F36-F85 AromaticContact CE1-CE1 3.85Å; F36-F85 HydrophobicContact CE1-CE1 3.85Å; F36-F85 HydrophobicContact CE1-CZ 4.49Å; F70-F85 HydrophobicContact CE1-CB 3.67Å; F70-F85 AromaticContact CE1-CD1 3.79Å; F70-F85 HydrophobicContact CE1-CD1 3.79Å; F70-F85 AromaticContact CE1-CD2 3.89Å; F70-F85 HydrophobicContact CE1-CD2 3.89Å; F70-F85 HydrophobicContact CE1-CE1 4.39Å; F70-F85 HydrophobicContact CE1-CE2 4.48Å; F70-F85 AromaticContact CE1-CG 3.51Å; F70-F85 HydrophobicContact CE1-CG 3.51Å; F70-F85 HydrophobicContact CZ-CB 3.82Å; F70-F85 HydrophobicContact CZ-CD1 4.3Å; F70-F85 AromaticContact CZ-CD2 3.53Å; F70-F85 HydrophobicContact CZ-CD2 3.53Å; F70-F85 HydrophobicContact CZ-CE2 4.12Å; F70-F85 AromaticContact CZ-CG 3.63Å; F70-F85 HydrophobicContact CZ-CG 3.63Å; N82-F85 HydrophobicContact CB-CB 3.99Å; N82-F85 PolarHBondContact O-N 2.93Å; F85-L93 HydrophobicContact CD2-CD2 3.4Å; F85-L93 VanDerWaalsContact CD2-CD2 3.4Å; F85-L93 HydrophobicContact CE2-CD2 3.86Å; F85-L93 HydrophobicContact CG-CD2 4.4Å; F85-I96 HydrophobicContact CB-CD1 3.92Å; F85-I96 HydrophobicContact CD2-CD1 4.13Å | ||
| 86 | I | 96.5 | Very high | 95.1 | Very high | 31 Ų | 31 | 66.9 Ų | 66.9 | 16% | 0.159 | 33% | 0.327 | C | S | . | . | trans | -117.4 | 135.9 | -173.4 | -56.2 | 176.4 | 0 | 0 | 0 | 110.6 | G33 G88 Q89 | G33-I86 WeakPolarHBondContact O-CA 3.46Å; I86-G88 PolarHBondContact O-N 3.13Å; I86-Q89 HydrophobicContact CB-CB 4.19Å; I86-Q89 HydrophobicContact CB-CG 4.38Å; I86-Q89 HydrophobicContact CG2-CG 4.18Å; I86-Q89 PolarHBondContact O-N 2.98Å | ||
| 87 | R | 96.3 | Very high | 95.1 | Very high | 115 Ų | 115 | 64.9 Ų | 64.9 | 43% | 0.434 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 135.2 | 177.6 | -165.1 | 176.7 | -165.2 | 176.2 | 7.6 | 111.8 | D19 W29 G33 Q89 | D19-R87 IonicContact OD1-CZ 3.72Å; D19-R87 IonicContact OD1-NE 3.49Å; D19-R87 PolarHBondContact OD1-NE 3.38Å; D19-R87 IonicContact OD1-NH2 3.57Å; W29-R87 VanDerWaalsContact CD1-CD 3.49Å; W29-R87 VanDerWaalsContact CD1-NE 3.32Å; W29-R87 HydrophobicContact CD2-CB 3.68Å; W29-R87 HydrophobicContact CD2-CG 3.9Å; W29-R87 HydrophobicContact CE3-CB 3.91Å; W29-R87 HydrophobicContact CG-CB 4.12Å; W29-R87 HydrophobicContact CG-CG 3.94Å; W29-R87 HydrophobicContact CH2-CB 4.35Å; W29-R87 HydrophobicContact CZ2-CB 4.16Å; W29-R87 HydrophobicContact CZ2-CG 4.35Å; W29-R87 HydrophobicContact CZ3-CB 4.23Å; G33-R87 PolarHBondContact O-N 3Å; R87-Q89 PolarHBondContact O-N 3.15Å |
| 88 | G | 94.6 | Very high | 95 | Very high | 61 Ų | 61 | 68.3 Ų | 68.3 | 63% | 0.629 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | -6.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | Y15 I86 | Y15-G88 WeakPolarHBondContact OH-CA 3.23Å; Y15-G88 PolarHBondContact OH-N 3.4Å; I86-G88 PolarHBondContact O-N 3.13Å |
| 89 | Q | 93.6 | Very high | 94.7 | Very high | 67 Ų | 67 | 72.5 Ų | 72.5 | 31% | 0.313 | 34% | 0.342 | S | S | . | . | trans | -111.5 | 44.4 | -175 | -55.6 | -169.6 | 29.9 | 0 | 0 | 112.8 | I86 R87 H91 R92 | I86-Q89 HydrophobicContact CB-CB 4.19Å; I86-Q89 HydrophobicContact CB-CG 4.38Å; I86-Q89 HydrophobicContact CG2-CG 4.18Å; I86-Q89 PolarHBondContact O-N 2.98Å; R87-Q89 PolarHBondContact O-N 3.15Å; Q89-H91 PolarHBondContact O-N 3.1Å; Q89-R92 HydrophobicContact CB-CG 4.26Å; Q89-R92 WeakPolarHBondContact O-CB 3.45Å; Q89-R92 PolarHBondContact O-N 3.49Å | ||
| 90 | Q | 92.9 | Very high | 93.9 | Very high | 114 Ų | 114 | 80 Ų | 80 | 53% | 0.533 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -46.5 | -30.6 | 176 | -70.8 | -175.8 | -19.7 | 0 | 0 | 114.3 | Y15 R92 L93 | Y15-Q90 HydrophobicContact CD1-CG 3.67Å; Y15-Q90 VanDerWaalsContact CD1-NE2 3.26Å; Y15-Q90 HydrophobicContact CD2-CG 4.08Å; Y15-Q90 HydrophobicContact CE1-CG 3.39Å; Y15-Q90 HydrophobicContact CE2-CG 3.76Å; Y15-Q90 HydrophobicContact CG-CG 4.06Å; Y15-Q90 VanDerWaalsContact CZ-CG 3.46Å; Q90-R92 PolarHBondContact O-N 2.98Å; Q90-L93 HydrophobicContact CB-CD1 4.46Å; Q90-L93 WeakPolarHBondContact O-CB 3.43Å; Q90-L93 VanDerWaalsContact O-CG 3.27Å; Q90-L93 WeakPolarHBondContact O-CG 3.19Å; Q90-L93 PolarHBondContact O-N 3.49Å; Q90-L93 VanDerWaalsContact O-N 3.12Å |
| 91 | H | 93 | Very high | 92.7 | Very high | 120 Ų | 120 | 84.5 Ų | 84.5 | 56% | 0.556 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -64.6 | -15.8 | 177.6 | 70.5 | -96.6 | 0 | 0 | 0 | 114.4 | Q89 K94 | Q89-H91 PolarHBondContact O-N 3.1Å; H91-K94 WeakPolarHBondContact O-CD 3.36Å; H91-K94 WeakPolarHBondContact O-CE 3.24Å; H91-K94 WeakPolarHBondContact O-CG 3.44Å |
| 92 | R | 94.2 | Very high | 91.3 | Very high | 80 Ų | 80 | 90.3 Ų | 90.3 | 30% | 0.302 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -80.4 | -20.7 | 172.7 | -76.2 | -176.6 | 167.8 | -108.7 | 12.2 | 113.6 | D83 D84 Q89 Q90 K94 N95 | D83-R92 PolarHBondContact O-NH1 3.29Å; D84-R92 HydrophobicContact CB-CB 4.09Å; D84-R92 WeakPolarHBondContact O-CB 3.27Å; D84-R92 WeakPolarHBondContact OD1-CD 3.2Å; D84-R92 WeakPolarHBondContact OD1-CG 3.5Å; D84-R92 IonicContact OD1-CZ 3.91Å; D84-R92 IonicContact OD1-NE 2.73Å; D84-R92 IonicContact OD1-NH1 2.96Å; D84-R92 PolarHBondContact OD1-NH1 3.13Å; Q89-R92 HydrophobicContact CB-CG 4.26Å; Q89-R92 WeakPolarHBondContact O-CB 3.45Å; Q89-R92 PolarHBondContact O-N 3.49Å; Q90-R92 PolarHBondContact O-N 2.98Å; R92-K94 PolarHBondContact O-N 2.9Å; R92-N95 VanDerWaalsContact O-CB 3.23Å; R92-N95 WeakPolarHBondContact O-CB 3.28Å; R92-N95 PolarHBondContact O-N 3.27Å |
| 93 | L | 94.5 | Very high | 89.4 | Confident | 3 Ų | 3 | 97 Ų | 97 | 2% | 0.016 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -57.3 | -22.2 | -177.9 | -61.3 | 176.4 | 0 | 0 | 0 | 113.4 | L7 Y15 F85 Q90 N95 I96 | L7-L93 HydrophobicContact CD1-CB 4.16Å; L7-L93 HydrophobicContact CD1-CD1 4.34Å; L7-L93 HydrophobicContact CD2-CB 3.93Å; Y15-L93 HydrophobicContact CD2-CD1 4.05Å; Y15-L93 HydrophobicContact CD2-CD2 4.32Å; Y15-L93 HydrophobicContact CG-CD1 4.04Å; F85-L93 HydrophobicContact CD2-CD2 3.4Å; F85-L93 VanDerWaalsContact CD2-CD2 3.4Å; F85-L93 HydrophobicContact CE2-CD2 3.86Å; F85-L93 HydrophobicContact CG-CD2 4.4Å; Q90-L93 HydrophobicContact CB-CD1 4.46Å; Q90-L93 WeakPolarHBondContact O-CB 3.43Å; Q90-L93 VanDerWaalsContact O-CG 3.27Å; Q90-L93 WeakPolarHBondContact O-CG 3.19Å; Q90-L93 PolarHBondContact O-N 3.49Å; Q90-L93 VanDerWaalsContact O-N 3.12Å; L93-N95 PolarHBondContact O-N 2.91Å; L93-I96 HydrophobicContact CD2-CD1 3.82Å; L93-I96 PolarHBondContact O-N 3.25Å |
| 94 | K | 93.2 | Very high | 87 | Confident | 134 Ų | 134 | 93.6 Ų | 93.6 | 58% | 0.583 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -67 | -20.4 | 173.2 | 74 | -167.7 | 177.9 | -173.1 | 0 | 114.1 | L7 H91 R92 H97 | L7-K94 HydrophobicContact CD2-CB 3.95Å; H91-K94 WeakPolarHBondContact O-CD 3.36Å; H91-K94 WeakPolarHBondContact O-CE 3.24Å; H91-K94 WeakPolarHBondContact O-CG 3.44Å; R92-K94 PolarHBondContact O-N 2.9Å; K94-H97 PolarHBondContact O-CE1 2.75Å |
| 95 | N | 93.4 | Very high | 84.8 | Confident | 68 Ų | 68 | 100.7 Ų | 100.7 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -82.3 | -19.6 | 177.5 | -57.1 | -9.1 | 0 | 0 | 0 | 111.4 | D84 R92 L93 H97 | D84-N95 HydrophobicContact CB-CB 4.02Å; D84-N95 VanDerWaalsContact CG-CB 3.44Å; D84-N95 VanDerWaalsContact CG-ND2 3.29Å; D84-N95 PolarHBondContact OD1-ND2 2.9Å; D84-N95 WeakPolarHBondContact OD2-CB 3.49Å; D84-N95 PolarHBondContact OD2-ND2 3.41Å; R92-N95 VanDerWaalsContact O-CB 3.23Å; R92-N95 WeakPolarHBondContact O-CB 3.28Å; R92-N95 PolarHBondContact O-N 3.27Å; L93-N95 PolarHBondContact O-N 2.91Å; N95-H97 PolarHBondContact O-CE1 2.88Å; N95-H97 PolarHBondContact O-N 3.32Å; N95-H97 VanDerWaalsContact O-N 3.14Å; N95-H97 PolarHBondContact O-ND1 2.67Å |
| 96 | I | 94.6 | Very high | 82.6 | Confident | 9 Ų | 9 | 106 Ų | 106 | 5% | 0.046 | 51% | 0.514 | C | S | . | . | trans | -81.4 | 95.5 | -177.5 | -51.3 | 178.4 | 0 | 0 | 0 | 109.6 | L11 Y68 F70 D84 F85 L93 | L11-I96 HydrophobicContact CD1-CB 3.72Å; L11-I96 HydrophobicContact CD1-CG2 3.85Å; L11-I96 WeakPolarHBondContact CD1-O 3.42Å; L11-I96 HydrophobicContact CD2-CD1 4.37Å; L11-I96 HydrophobicContact CD2-CG2 3.96Å; Y68-I96 HydrophobicContact CD1-CG2 4.25Å; Y68-I96 HydrophobicContact CG-CG2 4.47Å; Y68-I96 WeakPolarHBondContact O-CG2 3.41Å; F70-I96 HydrophobicContact CE2-CG2 4.37Å; F70-I96 HydrophobicContact CZ-CD1 4.4Å; D84-I96 HydrophobicContact CB-CD1 4.25Å; D84-I96 HydrophobicContact CB-CG1 3.66Å; F85-I96 HydrophobicContact CB-CD1 3.92Å; F85-I96 HydrophobicContact CD2-CD1 4.13Å; L93-I96 HydrophobicContact CD2-CD1 3.82Å; L93-I96 PolarHBondContact O-N 3.25Å | ||
| 97 | H | 92.3 | Very high | 80.2 | Confident | 142 Ų | 142 | 108.7 Ų | 108.7 | 66% | 0.657 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -91 | 146.5 | -178 | -67.7 | 80.1 | 0 | 0 | 0 | 112.3 | K94 N95 R99 | K94-H97 PolarHBondContact O-CE1 2.75Å; N95-H97 PolarHBondContact O-CE1 2.88Å; N95-H97 PolarHBondContact O-N 3.32Å; N95-H97 VanDerWaalsContact O-N 3.14Å; N95-H97 PolarHBondContact O-ND1 2.67Å; H97-R99 PolarHBondContact O-N 3.37Å |
| 98 | R | 92.2 | Very high | 77.8 | Confident | 170 Ų | 170 | 112.3 Ų | 112.3 | 64% | 0.642 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 122.6 | 173.3 | -162.2 | -166 | -178.9 | -165.7 | -0.2 | 109.7 | T67 Y68 K100 | T67-R98 HydrophobicContact CG2-CG 3.53Å; T67-R98 VanDerWaalsContact CG2-NE 3.28Å; Y68-R98 HydrophobicContact CD1-CB 4.37Å; Y68-R98 HydrophobicContact CE1-CB 3.93Å; Y68-R98 HydrophobicContact CE1-CG 4.28Å; R98-K100 PolarHBondContact O-N 3.17Å |
| 99 | R | 89.9 | Confident | 75.4 | Confident | 169 Ų | 169 | 114.6 Ų | 114.6 | 64% | 0.638 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 135.1 | 177.1 | -61.2 | -177.2 | 75.7 | -177.9 | 5.3 | 110 | T67 H97 | T67-R99 PolarHBondContact O-N 2.87Å; H97-R99 PolarHBondContact O-N 3.37Å |
| 100 | K | 79.8 | Confident | 73.1 | Confident | 189 Ų | 189 | 121.1 Ų | 121.1 | 82% | 0.822 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 138.8 | 171.7 | -65.1 | 179.1 | -178.3 | 175.9 | 0 | 109 | R98 I102 | R98-K100 PolarHBondContact O-N 3.17Å; K100-I102 PolarHBondContact O-N 3.3Å |
| 101 | P | 73.5 | Confident | 70.6 | Confident | 97 Ų | 97 | 119.8 Ų | 119.8 | 63% | 0.63 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 119.4 | 175.2 | 27.4 | -33 | 0 | 0 | 0 | 110 | F103 | P101-F103 VanDerWaalsContact C-N 3.29Å; P101-F103 PolarHBondContact O-N 2.9Å |
| 102 | I | 67 | Low | 68.3 | Low | 142 Ų | 142 | 119.7 Ų | 119.7 | 73% | 0.728 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -17.2 | -176.7 | 58.3 | 176.3 | 0 | 0 | 0 | 113.7 | K100 | K100-I102 PolarHBondContact O-N 3.3Š|
| 103 | F | 57.5 | Low | 66.2 | Low | 163 Ų | 163 | 118.5 Ų | 118.5 | 72% | 0.715 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 35.9 | -177.5 | -60.8 | -63.8 | 0 | 0 | 0 | 113.7 | P101 H105 | P101-F103 VanDerWaalsContact C-N 3.29Å; P101-F103 PolarHBondContact O-N 2.9Å; F103-H105 PolarHBondContact O-N 3.47Å |
| 104 | S | 45.6 | Very low | 64.4 | Low | 59 Ų | 59 | 124.5 Ų | 124.5 | 41% | 0.413 | 67% | 0.671 | S | S | . | * | trans | -77.9 | 65.1 | 175.6 | -75.5 | 0 | 0 | 0 | 0 | 112.7 | S106 | S104-S106 PolarHBondContact O-N 3.04Š| ||
| 105 | H | 49.4 | Very low | 62.8 | Low | 180 Ų | 180 | 122.1 Ų | 122.1 | 83% | 0.833 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 8.8 | 175 | -73.3 | -80.3 | 0 | 0 | 0 | 114.8 | F103 | F103-H105 PolarHBondContact O-N 3.47Š|
| 106 | S | 50.3 | Low | 61.8 | Low | 113 Ų | 113 | 121.9 Ų | 121.9 | 79% | 0.79 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.4 | 14 | -176.1 | 59.9 | 0 | 0 | 0 | 0 | 115 | S104 | S104-S106 PolarHBondContact O-N 3.04Š|
| 107 | S | 45.4 | Very low | 61 | Low | 87 Ų | 87 | 126 Ų | 126 | 61% | 0.608 | 69% | 0.689 | S | S | * | * | trans | -116 | 48.8 | 178.5 | 67.2 | 0 | 0 | 0 | 0 | 114.1 | T109 | S107-T109 VanDerWaalsContact C-N 3.26Å; S107-T109 PolarHBondContact O-N 3.48Å | ||
| 108 | H | 46.1 | Very low | 60.6 | Low | 192 Ų | 192 | 123.3 Ų | 123.3 | 89% | 0.889 | 68% | 0.682 | S | S | * | * | trans | -91.6 | 47.1 | 167.3 | -162.2 | 82.5 | 0 | 0 | 0 | 111.9 | ||||
| 109 | T | 45.3 | Very low | 60.2 | Low | 109 Ų | 109 | 119.3 Ų | 119.3 | 67% | 0.669 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -145.5 | 109.2 | 173.2 | 51 | 0 | 0 | 0 | 0 | 110.8 | S107 | S107-T109 VanDerWaalsContact C-N 3.26Å; S107-T109 PolarHBondContact O-N 3.48Å |
| 110 | Q | 46 | Very low | 59.9 | Low | 203 Ų | 203 | 116.6 Ų | 116.6 | 95% | 0.949 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 60.7 | 115.5 | 159.1 | -51 | 178 | 22.1 | 0 | 0 | 117.4 | ||
| 111 | G | 39.9 | Very low | 60.3 | Low | 86 Ų | 86 | 114.1 Ų | 114.1 | 89% | 0.887 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 158.1 | -34.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 112 | S | 44.5 | Very low | 61 | Low | 119 Ų | 119 | 113.4 Ų | 113.4 | 83% | 0.832 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -128.8 | 144.5 | 175.4 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 113 | G | 50.4 | Low | 62.2 | Low | 55 Ų | 55 | 113.5 Ų | 113.5 | 57% | 0.567 | 63% | 0.629 | S | S | * | * | trans | -67.5 | 176.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L115 | G113-L115 PolarHBondContact O-N 3.4Š| ||
| 114 | P | 56.1 | Low | 63.7 | Low | 129 Ų | 129 | 110.4 Ų | 110.4 | 84% | 0.838 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 131.1 | 166.6 | -22.3 | 33.1 | 0 | 0 | 0 | 109.4 | ||
| 115 | L | 59.1 | Low | 66 | Low | 83 Ų | 83 | 112.9 Ų | 112.9 | 44% | 0.435 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -52.9 | 129 | 163.5 | -165.1 | 84.1 | 0 | 0 | 0 | 106.4 | G113 D117 E119 R120 Y123 | G113-L115 PolarHBondContact O-N 3.4Å; L115-D117 PolarHBondContact O-N 2.94Å; L115-E119 WeakPolarHBondContact CD1-OE2 3.3Å; L115-E119 HydrophobicContact CD2-CB 4Å; L115-E119 HydrophobicContact CG-CB 3.92Å; L115-R120 HydrophobicContact CD2-CB 4.12Å; L115-Y123 HydrophobicContact CD2-CD2 3.95Å; L115-Y123 HydrophobicContact CD2-CE2 3.97Å |
| 116 | P | 73.5 | Confident | 68 | Low | 63 Ų | 63 | 107.8 Ų | 107.8 | 41% | 0.409 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -48.3 | 134.8 | -178.6 | -29.2 | 34.7 | 0 | 0 | 0 | 110.9 | T118 E119 R120 | P116-T118 CarbonylContact O-C 3.33Å; P116-T118 PolarHBondContact O-N 2.9Å; P116-E119 HydrophobicContact CB-CB 4.41Å; P116-E119 HydrophobicContact CB-CG 4.23Å; P116-E119 HydrophobicContact CG-CG 4.22Å; P116-E119 PolarHBondContact O-N 3.1Å; P116-R120 PolarHBondContact O-N 3.23Å |
| 117 | D | 77.7 | Confident | 70 | Confident | 96 Ų | 96 | 106.7 Ų | 106.7 | 51% | 0.513 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.9 | -14.6 | -179.9 | -75.5 | -60 | 0 | 0 | 0 | 112.8 | L115 R120 R121 | L115-D117 PolarHBondContact O-N 2.94Å; D117-R120 IonicContact OD1-CZ 3.88Å; D117-R120 IonicContact OD1-NE 3.68Å; D117-R120 PolarHBondContact OD1-NE 3.45Å; D117-R120 IonicContact OD1-NH2 2.77Å; D117-R120 PolarHBondContact OD1-NH2 3.19Å; D117-R121 VanDerWaalsContact O-CB 3.29Å; D117-R121 WeakPolarHBondContact O-CB 3.39Å; D117-R121 PolarHBondContact O-N 3.24Å |
| 118 | T | 82.6 | Confident | 72.3 | Confident | 85 Ų | 85 | 108.8 Ų | 108.8 | 52% | 0.521 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.6 | -67.2 | 162 | -39.9 | 0 | 0 | 0 | 0 | 111 | P116 R120 R121 D122 | P116-T118 CarbonylContact O-C 3.33Å; P116-T118 PolarHBondContact O-N 2.9Å; T118-R120 PolarHBondContact O-N 3Å; T118-R120 VanDerWaalsContact O-N 3.1Å; T118-R121 CarbonylContact O-C 3.59Å; T118-R121 WeakPolarHBondContact O-CA 3.26Å; T118-R121 WeakPolarHBondContact O-CB 3.45Å; T118-R121 PolarHBondContact O-N 3.42Å; T118-D122 PolarHBondContact O-N 3.23Å |
| 119 | E | 84.6 | Confident | 74.7 | Confident | 86 Ų | 86 | 105.4 Ų | 105.4 | 40% | 0.402 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -53 | -37.3 | -179.5 | -69.1 | 178.7 | -163.1 | 0 | 0 | 112.8 | L115 P116 D122 Y123 | L115-E119 WeakPolarHBondContact CD1-OE2 3.3Å; L115-E119 HydrophobicContact CD2-CB 4Å; L115-E119 HydrophobicContact CG-CB 3.92Å; P116-E119 HydrophobicContact CB-CB 4.41Å; P116-E119 HydrophobicContact CB-CG 4.23Å; P116-E119 HydrophobicContact CG-CG 4.22Å; P116-E119 PolarHBondContact O-N 3.1Å; E119-D122 WeakPolarHBondContact CA-OD2 3.32Å; E119-D122 PolarHBondContact O-N 2.99Å; E119-Y123 WeakPolarHBondContact O-CD2 3.49Å; E119-Y123 PolarHBondContact O-N 3.47Å; E119-Y123 VanDerWaalsContact O-N 3.07Å |
| 120 | R | 84.7 | Confident | 77.1 | Confident | 112 Ų | 112 | 104.3 Ų | 104.3 | 42% | 0.423 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64 | -45.1 | 174.6 | -176.6 | 169.6 | 64 | 83.1 | -4.2 | 111.9 | L115 P116 D117 T118 Y123 E124 | L115-R120 HydrophobicContact CD2-CB 4.12Å; P116-R120 PolarHBondContact O-N 3.23Å; D117-R120 IonicContact OD1-CZ 3.88Å; D117-R120 IonicContact OD1-NE 3.68Å; D117-R120 PolarHBondContact OD1-NE 3.45Å; D117-R120 IonicContact OD1-NH2 2.77Å; D117-R120 PolarHBondContact OD1-NH2 3.19Å; T118-R120 PolarHBondContact O-N 3Å; T118-R120 VanDerWaalsContact O-N 3.1Å; R120-Y123 PolarHBondContact O-N 2.87Å; R120-E124 VanDerWaalsContact CG-OE1 3.29Å; R120-E124 WeakPolarHBondContact CG-OE1 3.46Å; R120-E124 IonicContact CZ-OE1 3.79Å; R120-E124 IonicContact NH1-OE1 3.94Å; R120-E124 PolarHBondContact NH1-OE1 3.05Å; R120-E124 IonicContact NH1-OE2 3.21Å; R120-E124 PolarHBondContact NH1-OE2 2.81Å; R120-E124 WeakPolarHBondContact O-CG 3.49Å; R120-E124 PolarHBondContact O-N 2.97Å |
| 121 | R | 87.9 | Confident | 79.4 | Confident | 137 Ų | 137 | 101.5 Ų | 101.5 | 52% | 0.517 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.4 | -40.9 | 176.3 | -169.5 | -168.7 | -49.7 | 154.9 | 12.3 | 111.5 | D117 T118 Y123 E124 E125 | D117-R121 VanDerWaalsContact O-CB 3.29Å; D117-R121 WeakPolarHBondContact O-CB 3.39Å; D117-R121 PolarHBondContact O-N 3.24Å; T118-R121 CarbonylContact O-C 3.59Å; T118-R121 WeakPolarHBondContact O-CA 3.26Å; T118-R121 WeakPolarHBondContact O-CB 3.45Å; T118-R121 PolarHBondContact O-N 3.42Å; R121-Y123 PolarHBondContact O-N 3.42Å; R121-E124 CarbonylContact O-C 3.52Å; R121-E124 WeakPolarHBondContact O-CA 3.33Å; R121-E124 PolarHBondContact O-N 3.13Å; R121-E125 WeakPolarHBondContact CD-OE1 3.49Å; R121-E125 HydrophobicContact CG-CG 4.18Å; R121-E125 VanDerWaalsContact CG-OE1 3.27Å; R121-E125 WeakPolarHBondContact CG-OE1 3.43Å; R121-E125 WeakPolarHBondContact O-CB 3.26Å; R121-E125 WeakPolarHBondContact O-CG 3.17Å; R121-E125 PolarHBondContact O-N 3.4Å |
| 122 | D | 88.4 | Confident | 82 | Confident | 83 Ų | 83 | 101.2 Ų | 101.2 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.8 | -39.9 | 176.4 | -55.9 | -25.4 | 0 | 0 | 0 | 110.2 | T118 E119 E126 | T118-D122 PolarHBondContact O-N 3.23Å; E119-D122 WeakPolarHBondContact CA-OD2 3.32Å; E119-D122 PolarHBondContact O-N 2.99Å; D122-E126 WeakPolarHBondContact O-CB 3.29Å; D122-E126 PolarHBondContact O-N 3.45Å |
| 123 | Y | 90.8 | Very high | 84.5 | Confident | 143 Ų | 143 | 99 Ų | 99 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -72 | -36.2 | 171.7 | -67.2 | -45.5 | 0 | 0 | 0 | 114.2 | L115 E119 R120 R121 I127 | L115-Y123 HydrophobicContact CD2-CD2 3.95Å; L115-Y123 HydrophobicContact CD2-CE2 3.97Å; E119-Y123 WeakPolarHBondContact O-CD2 3.49Å; E119-Y123 PolarHBondContact O-N 3.47Å; E119-Y123 VanDerWaalsContact O-N 3.07Å; R120-Y123 PolarHBondContact O-N 2.87Å; R121-Y123 PolarHBondContact O-N 3.42Å; Y123-I127 WeakPolarHBondContact O-CB 3.24Å; Y123-I127 WeakPolarHBondContact O-CD1 3.46Å; Y123-I127 WeakPolarHBondContact O-CG1 3.45Å; Y123-I127 PolarHBondContact O-N 3.29Å |
| 124 | E | 90.4 | Very high | 86.5 | Confident | 98 Ų | 98 | 101.2 Ų | 101.2 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 175.3 | -72.9 | 165.1 | -169.4 | 0 | 0 | 111.1 | R120 R121 I127 E128 | R120-E124 VanDerWaalsContact CG-OE1 3.29Å; R120-E124 WeakPolarHBondContact CG-OE1 3.46Å; R120-E124 IonicContact CZ-OE1 3.79Å; R120-E124 IonicContact NH1-OE1 3.94Å; R120-E124 PolarHBondContact NH1-OE1 3.05Å; R120-E124 IonicContact NH1-OE2 3.21Å; R120-E124 PolarHBondContact NH1-OE2 2.81Å; R120-E124 WeakPolarHBondContact O-CG 3.49Å; R120-E124 PolarHBondContact O-N 2.97Å; R121-E124 CarbonylContact O-C 3.52Å; R121-E124 WeakPolarHBondContact O-CA 3.33Å; R121-E124 PolarHBondContact O-N 3.13Å; E124-I127 PolarHBondContact O-N 2.7Å; E124-E128 PolarHBondContact O-N 3.5Å |
| 125 | E | 92.5 | Very high | 88.4 | Confident | 112 Ų | 112 | 97.8 Ų | 97.8 | 52% | 0.523 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.6 | -40.7 | 174.3 | -70.4 | 179.4 | -155.6 | 0 | 0 | 112.2 | R121 I127 E128 R129 | R121-E125 WeakPolarHBondContact CD-OE1 3.49Å; R121-E125 HydrophobicContact CG-CG 4.18Å; R121-E125 VanDerWaalsContact CG-OE1 3.27Å; R121-E125 WeakPolarHBondContact CG-OE1 3.43Å; R121-E125 WeakPolarHBondContact O-CB 3.26Å; R121-E125 WeakPolarHBondContact O-CG 3.17Å; R121-E125 PolarHBondContact O-N 3.4Å; E125-I127 VanDerWaalsContact C-N 3.35Å; E125-I127 PolarHBondContact O-N 3.09Å; E125-E128 PolarHBondContact O-N 3.41Å; E125-R129 WeakPolarHBondContact O-CB 3.36Å; E125-R129 PolarHBondContact O-N 3.34Å |
| 126 | E | 92.4 | Very high | 90.2 | Very high | 72 Ų | 72 | 96.8 Ų | 96.8 | 34% | 0.336 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 172.2 | -179.8 | 68 | -154.7 | 0 | 0 | 111.3 | D122 R129 L130 | D122-E126 WeakPolarHBondContact O-CB 3.29Å; D122-E126 PolarHBondContact O-N 3.45Å; E126-R129 PolarHBondContact O-N 2.86Å; E126-R129 IonicContact OE1-CZ 2.75Å; E126-R129 IonicContact OE1-NH1 2.62Å; E126-R129 IonicContact OE1-NH2 3.23Å; E126-R129 PolarHBondContact OE1-NH2 2.95Å; E126-R129 IonicContact OE2-CZ 2.67Å; E126-R129 VanDerWaalsContact OE2-CZ 3.22Å; E126-R129 IonicContact OE2-NH1 2.77Å; E126-R129 PolarHBondContact OE2-NH1 3.4Å; E126-R129 IonicContact OE2-NH2 3.74Å; E126-R129 PolarHBondContact OE2-NH2 3.3Å; E126-L130 HydrophobicContact CG-CD1 4.02Å; E126-L130 WeakPolarHBondContact O-CB 3.24Å; E126-L130 VanDerWaalsContact O-CG 3.24Å; E126-L130 WeakPolarHBondContact O-CG 3.35Å; E126-L130 PolarHBondContact O-N 2.98Å |
| 127 | I | 92.3 | Very high | 91.3 | Very high | 91 Ų | 91 | 98.9 Ų | 98.9 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 177.5 | -73.1 | 165.5 | 0 | 0 | 0 | 111.5 | Y123 E124 E125 K131 | Y123-I127 WeakPolarHBondContact O-CB 3.24Å; Y123-I127 WeakPolarHBondContact O-CD1 3.46Å; Y123-I127 WeakPolarHBondContact O-CG1 3.45Å; Y123-I127 PolarHBondContact O-N 3.29Å; E124-I127 PolarHBondContact O-N 2.7Å; E125-I127 VanDerWaalsContact C-N 3.35Å; E125-I127 PolarHBondContact O-N 3.09Å; I127-K131 HydrophobicContact CG2-CD 4.27Å; I127-K131 WeakPolarHBondContact O-CD 3.24Å; I127-K131 VanDerWaalsContact O-CG 3.24Å; I127-K131 WeakPolarHBondContact O-CG 3.33Å; I127-K131 PolarHBondContact O-N 2.97Å; I127-K131 VanDerWaalsContact O-N 3.09Å |
| 128 | E | 93.8 | Very high | 92 | Very high | 131 Ų | 131 | 97.7 Ų | 97.7 | 61% | 0.612 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.8 | -46.3 | 175 | -173.7 | 162.2 | -141.2 | 0 | 0 | 111.5 | E124 E125 L130 K131 C132 | E124-E128 PolarHBondContact O-N 3.5Å; E125-E128 PolarHBondContact O-N 3.41Å; E128-L130 PolarHBondContact O-N 2.93Å; E128-K131 WeakPolarHBondContact O-CB 3.32Å; E128-K131 PolarHBondContact O-N 3.23Å; E128-C132 PolarHBondContact O-N 2.89Å; E128-C132 PolarHBondContact O-SG 3.28Å |
| 129 | R | 96 | Very high | 92.6 | Very high | 120 Ų | 120 | 97 Ų | 97 | 45% | 0.453 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 176.1 | -163.5 | -170.9 | 72.4 | -110.3 | -5.4 | 111.8 | E125 E126 K131 C132 D133 | E125-R129 WeakPolarHBondContact O-CB 3.36Å; E125-R129 PolarHBondContact O-N 3.34Å; E126-R129 PolarHBondContact O-N 2.86Å; E126-R129 IonicContact OE1-CZ 2.75Å; E126-R129 IonicContact OE1-NH1 2.62Å; E126-R129 IonicContact OE1-NH2 3.23Å; E126-R129 PolarHBondContact OE1-NH2 2.95Å; E126-R129 IonicContact OE2-CZ 2.67Å; E126-R129 VanDerWaalsContact OE2-CZ 3.22Å; E126-R129 IonicContact OE2-NH1 2.77Å; E126-R129 PolarHBondContact OE2-NH1 3.4Å; E126-R129 IonicContact OE2-NH2 3.74Å; E126-R129 PolarHBondContact OE2-NH2 3.3Å; R129-K131 VanDerWaalsContact C-N 3.27Å; R129-K131 PolarHBondContact O-N 2.77Å; R129-C132 WeakPolarHBondContact O-CB 3.2Å; R129-C132 PolarHBondContact O-N 3.37Å; R129-D133 IonicContact NE-OD2 2.77Å; R129-D133 VanDerWaalsContact O-CG 3.3Å; R129-D133 PolarHBondContact O-N 3Å |
| 130 | L | 95.7 | Very high | 93 | Very high | 87 Ų | 87 | 97.9 Ų | 97.9 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -29.3 | 177.8 | -72.7 | 172.9 | 0 | 0 | 0 | 113.1 | E126 E128 N134 | E126-L130 HydrophobicContact CG-CD1 4.02Å; E126-L130 WeakPolarHBondContact O-CB 3.24Å; E126-L130 VanDerWaalsContact O-CG 3.24Å; E126-L130 WeakPolarHBondContact O-CG 3.35Å; E126-L130 PolarHBondContact O-N 2.98Å; E128-L130 PolarHBondContact O-N 2.93Å; L130-N134 VanDerWaalsContact O-CB 3.24Å; L130-N134 WeakPolarHBondContact O-CB 3.21Å; L130-N134 PolarHBondContact O-N 3.31Å |
| 131 | K | 94.8 | Very high | 93.4 | Very high | 144 Ų | 144 | 98.3 Ų | 98.3 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.3 | -44.2 | 170.4 | -75.2 | 164.4 | -179.4 | 172.2 | 0 | 111.5 | I127 E128 R129 N134 A135 | I127-K131 HydrophobicContact CG2-CD 4.27Å; I127-K131 WeakPolarHBondContact O-CD 3.24Å; I127-K131 VanDerWaalsContact O-CG 3.24Å; I127-K131 WeakPolarHBondContact O-CG 3.33Å; I127-K131 PolarHBondContact O-N 2.97Å; I127-K131 VanDerWaalsContact O-N 3.09Å; E128-K131 WeakPolarHBondContact O-CB 3.32Å; E128-K131 PolarHBondContact O-N 3.23Å; R129-K131 VanDerWaalsContact C-N 3.27Å; R129-K131 PolarHBondContact O-N 2.77Å; K131-N134 PolarHBondContact O-N 3.16Å; K131-A135 WeakPolarHBondContact O-CB 3.44Å; K131-A135 PolarHBondContact O-N 2.74Å |
| 132 | C | 94.7 | Very high | 93.8 | Very high | 79 Ų | 79 | 98.6 Ų | 98.6 | 53% | 0.534 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 175.7 | -68.1 | 0 | 0 | 0 | 0 | 112 | E128 R129 N134 A135 A136 | E128-C132 PolarHBondContact O-N 2.89Å; E128-C132 PolarHBondContact O-SG 3.28Å; R129-C132 WeakPolarHBondContact O-CB 3.2Å; R129-C132 PolarHBondContact O-N 3.37Å; C132-N134 VanDerWaalsContact C-N 3.33Å; C132-N134 PolarHBondContact O-N 3.08Å; C132-A135 PolarHBondContact O-N 3.01Å; C132-A136 WeakPolarHBondContact O-CB 3.39Å; C132-A136 PolarHBondContact O-N 3.39Å |
| 133 | D | 96.1 | Very high | 94.1 | Very high | 73 Ų | 73 | 101 Ų | 101 | 39% | 0.39 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 176.5 | -66.2 | -26.4 | 0 | 0 | 0 | 111.1 | R129 A136 L137 | R129-D133 IonicContact NE-OD2 2.77Å; R129-D133 VanDerWaalsContact O-CG 3.3Å; R129-D133 PolarHBondContact O-N 3Å; D133-A136 PolarHBondContact O-N 2.94Å; D133-L137 WeakPolarHBondContact O-CB 3.22Å; D133-L137 VanDerWaalsContact O-CG 3.28Å; D133-L137 WeakPolarHBondContact O-CG 3.43Å; D133-L137 PolarHBondContact O-N 2.74Å |
| 134 | N | 93.4 | Very high | 94.1 | Very high | 101 Ų | 101 | 97 Ų | 97 | 54% | 0.54 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -41.4 | 176.7 | -163.5 | -60.4 | 0 | 0 | 0 | 112.1 | L130 K131 C132 A136 L137 T138 | L130-N134 VanDerWaalsContact O-CB 3.24Å; L130-N134 WeakPolarHBondContact O-CB 3.21Å; L130-N134 PolarHBondContact O-N 3.31Å; K131-N134 PolarHBondContact O-N 3.16Å; C132-N134 VanDerWaalsContact C-N 3.33Å; C132-N134 PolarHBondContact O-N 3.08Å; N134-A136 VanDerWaalsContact C-N 3.34Å; N134-A136 PolarHBondContact O-N 2.88Å; N134-L137 PolarHBondContact O-N 2.85Å; N134-T138 WeakPolarHBondContact O-CB 3.46Å; N134-T138 WeakPolarHBondContact O-CG2 3.39Å; N134-T138 PolarHBondContact O-N 3.29Å; N134-T138 PolarHBondContact O-OG1 3.26Å |
| 135 | A | 96 | Very high | 94.3 | Very high | 58 Ų | 58 | 95.1 Ų | 95.1 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K131 C132 T138 S139 | K131-A135 WeakPolarHBondContact O-CB 3.44Å; K131-A135 PolarHBondContact O-N 2.74Å; C132-A135 PolarHBondContact O-N 3.01Å; A135-T138 WeakPolarHBondContact CA-OG1 3.4Å; A135-T138 PolarHBondContact O-OG1 3.33Å; A135-T138 VanDerWaalsContact O-OG1 3.08Å; A135-S139 WeakPolarHBondContact O-CB 3.49Å; A135-S139 PolarHBondContact O-N 3.5Å; A135-S139 VanDerWaalsContact O-N 3.16Å |
| 136 | A | 95.7 | Very high | 94.4 | Very high | 62 Ų | 62 | 95.1 Ų | 95.1 | 51% | 0.512 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.5 | -47.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | C132 D133 N134 T138 S139 E140 | C132-A136 WeakPolarHBondContact O-CB 3.39Å; C132-A136 PolarHBondContact O-N 3.39Å; D133-A136 PolarHBondContact O-N 2.94Å; N134-A136 VanDerWaalsContact C-N 3.34Å; N134-A136 PolarHBondContact O-N 2.88Å; A136-T138 PolarHBondContact O-N 3.19Å; A136-S139 PolarHBondContact O-N 2.85Å; A136-E140 PolarHBondContact O-N 3.35Å |
| 137 | L | 95.9 | Very high | 94.3 | Very high | 107 Ų | 107 | 96.2 Ų | 96.2 | 56% | 0.56 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.2 | -38.7 | 179.6 | -74.5 | 169.1 | 0 | 0 | 0 | 112.7 | D133 N134 E140 L141 | D133-L137 WeakPolarHBondContact O-CB 3.22Å; D133-L137 VanDerWaalsContact O-CG 3.28Å; D133-L137 WeakPolarHBondContact O-CG 3.43Å; D133-L137 PolarHBondContact O-N 2.74Å; N134-L137 PolarHBondContact O-N 2.85Å; L137-E140 PolarHBondContact O-N 2.83Å; L137-L141 WeakPolarHBondContact O-CB 3.43Å; L137-L141 VanDerWaalsContact O-CG 3.32Å; L137-L141 WeakPolarHBondContact O-CG 3.42Å; L137-L141 PolarHBondContact O-N 3.01Å |
| 138 | T | 93.7 | Very high | 94.3 | Very high | 71 Ų | 71 | 97.2 Ų | 97.2 | 44% | 0.436 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -41.5 | 175.6 | 42.7 | 0 | 0 | 0 | 0 | 112.1 | N134 A135 A136 E140 L141 E142 | N134-T138 WeakPolarHBondContact O-CB 3.46Å; N134-T138 WeakPolarHBondContact O-CG2 3.39Å; N134-T138 PolarHBondContact O-N 3.29Å; N134-T138 PolarHBondContact O-OG1 3.26Å; A135-T138 WeakPolarHBondContact CA-OG1 3.4Å; A135-T138 PolarHBondContact O-OG1 3.33Å; A135-T138 VanDerWaalsContact O-OG1 3.08Å; A136-T138 PolarHBondContact O-N 3.19Å; T138-E140 VanDerWaalsContact C-N 3.34Å; T138-E140 PolarHBondContact O-N 2.96Å; T138-L141 PolarHBondContact O-N 3.22Å; T138-E142 PolarHBondContact O-N 3.44Å |
| 139 | S | 94.4 | Very high | 94.3 | Very high | 70 Ų | 70 | 95.6 Ų | 95.6 | 49% | 0.49 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.7 | -36.3 | 172.3 | -172 | 0 | 0 | 0 | 0 | 112.5 | A135 A136 K143 | A135-S139 WeakPolarHBondContact O-CB 3.49Å; A135-S139 PolarHBondContact O-N 3.5Å; A135-S139 VanDerWaalsContact O-N 3.16Å; A136-S139 PolarHBondContact O-N 2.85Å; S139-K143 VanDerWaalsContact O-CB 3.27Å; S139-K143 WeakPolarHBondContact O-CB 3.4Å; S139-K143 PolarHBondContact O-N 3.5Å |
| 140 | E | 94.4 | Very high | 94 | Very high | 104 Ų | 104 | 93.9 Ų | 93.9 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.3 | -39.2 | 174 | 177.1 | 155.5 | -141.8 | 0 | 0 | 112.5 | A136 L137 T138 K143 N144 | A136-E140 PolarHBondContact O-N 3.35Å; L137-E140 PolarHBondContact O-N 2.83Å; T138-E140 VanDerWaalsContact C-N 3.34Å; T138-E140 PolarHBondContact O-N 2.96Å; E140-K143 PolarHBondContact O-N 2.91Å; E140-N144 VanDerWaalsContact CG-ND2 3.3Å; E140-N144 WeakPolarHBondContact CG-ND2 3.27Å; E140-N144 VanDerWaalsContact O-CB 3.3Å; E140-N144 WeakPolarHBondContact O-CB 3.09Å; E140-N144 VanDerWaalsContact O-CG 3.24Å; E140-N144 PolarHBondContact O-N 2.99Å; E140-N144 PolarHBondContact O-ND2 2.97Å |
| 141 | L | 92.8 | Very high | 93.5 | Very high | 122 Ų | 122 | 91.7 Ų | 91.7 | 64% | 0.639 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.3 | -45.1 | 173.5 | -75.8 | 169.9 | 0 | 0 | 0 | 111.7 | L137 T138 N144 A145 | L137-L141 WeakPolarHBondContact O-CB 3.43Å; L137-L141 VanDerWaalsContact O-CG 3.32Å; L137-L141 WeakPolarHBondContact O-CG 3.42Å; L137-L141 PolarHBondContact O-N 3.01Å; T138-L141 PolarHBondContact O-N 3.22Å; L141-N144 PolarHBondContact O-N 3.35Å; L141-A145 WeakPolarHBondContact O-CB 3.4Å; L141-A145 PolarHBondContact O-N 3.12Å |
| 142 | E | 94.6 | Very high | 93.3 | Very high | 142 Ų | 142 | 89.7 Ų | 89.7 | 66% | 0.664 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.4 | -48.7 | 174.4 | -176.9 | -178.9 | -158.5 | 0 | 0 | 111.4 | T138 N144 A145 Q146 | T138-E142 PolarHBondContact O-N 3.44Å; E142-N144 VanDerWaalsContact C-N 3.27Å; E142-N144 PolarHBondContact O-N 2.95Å; E142-A145 WeakPolarHBondContact O-CB 3.29Å; E142-A145 PolarHBondContact O-N 2.62Å; E142-Q146 PolarHBondContact O-N 3.43Å |
| 143 | K | 94.7 | Very high | 93.1 | Very high | 135 Ų | 135 | 92 Ų | 92 | 59% | 0.587 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.2 | -38.5 | 176.4 | -175.7 | 179.3 | -176.3 | 179.1 | 0 | 112.2 | S139 E140 K147 | S139-K143 VanDerWaalsContact O-CB 3.27Å; S139-K143 WeakPolarHBondContact O-CB 3.4Å; S139-K143 PolarHBondContact O-N 3.5Å; E140-K143 PolarHBondContact O-N 2.91Å; K143-K147 WeakPolarHBondContact O-CG 3.18Å; K143-K147 PolarHBondContact O-N 3.04Å |
| 144 | N | 92.4 | Very high | 92.6 | Very high | 57 Ų | 57 | 91.4 Ų | 91.4 | 31% | 0.305 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -76.3 | -33.3 | 178 | -72.3 | -29.7 | 0 | 0 | 0 | 112.5 | E140 L141 E142 K147 K148 | E140-N144 VanDerWaalsContact CG-ND2 3.3Å; E140-N144 WeakPolarHBondContact CG-ND2 3.27Å; E140-N144 VanDerWaalsContact O-CB 3.3Å; E140-N144 WeakPolarHBondContact O-CB 3.09Å; E140-N144 VanDerWaalsContact O-CG 3.24Å; E140-N144 PolarHBondContact O-N 2.99Å; E140-N144 PolarHBondContact O-ND2 2.97Å; L141-N144 PolarHBondContact O-N 3.35Å; E142-N144 VanDerWaalsContact C-N 3.27Å; E142-N144 PolarHBondContact O-N 2.95Å; N144-K147 PolarHBondContact O-N 3.07Å; N144-K147 WeakPolarHBondContact OD1-CE 3.24Å; N144-K147 PolarHBondContact OD1-NZ 3.39Å; N144-K148 WeakPolarHBondContact O-CB 3.45Å; N144-K148 PolarHBondContact O-N 3.03Å |
| 145 | A | 94.5 | Very high | 92.4 | Very high | 60 Ų | 60 | 88.3 Ų | 88.3 | 50% | 0.496 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L141 E142 K148 L149 | L141-A145 WeakPolarHBondContact O-CB 3.4Å; L141-A145 PolarHBondContact O-N 3.12Å; E142-A145 WeakPolarHBondContact O-CB 3.29Å; E142-A145 PolarHBondContact O-N 2.62Å; A145-K148 WeakPolarHBondContact O-CB 3.19Å; A145-K148 PolarHBondContact O-N 3.45Å; A145-L149 PolarHBondContact O-N 3.33Å |
| 146 | Q | 93.4 | Very high | 92.2 | Very high | 112 Ų | 112 | 87.2 Ų | 87.2 | 52% | 0.523 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 176.4 | -173.3 | 62.1 | 10.4 | 0 | 0 | 112.4 | E142 K148 L149 V150 | E142-Q146 PolarHBondContact O-N 3.43Å; Q146-K148 VanDerWaalsContact C-N 3.34Å; Q146-K148 PolarHBondContact O-N 3.09Å; Q146-L149 PolarHBondContact O-N 2.84Å; Q146-V150 WeakPolarHBondContact O-CG2 3.31Å; Q146-V150 PolarHBondContact O-N 3.5Å; Q146-V150 VanDerWaalsContact O-N 3.1Å |
| 147 | K | 91.5 | Very high | 91.8 | Very high | 95 Ų | 95 | 87.8 Ų | 87.8 | 41% | 0.413 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -56.5 | -47.4 | 169.6 | -72.9 | 173.4 | -166.1 | 165.6 | 0 | 111.2 | K143 N144 L149 V150 T151 | K143-K147 WeakPolarHBondContact O-CG 3.18Å; K143-K147 PolarHBondContact O-N 3.04Å; N144-K147 PolarHBondContact O-N 3.07Å; N144-K147 WeakPolarHBondContact OD1-CE 3.24Å; N144-K147 PolarHBondContact OD1-NZ 3.39Å; K147-L149 PolarHBondContact O-N 3.46Å; K147-V150 PolarHBondContact O-N 3.17Å; K147-T151 PolarHBondContact O-N 2.93Å; K147-T151 PolarHBondContact O-OG1 3.3Å |
| 148 | K | 91.5 | Very high | 91.5 | Very high | 111 Ų | 111 | 83.1 Ų | 83.1 | 48% | 0.483 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -56.7 | -48.8 | 179.7 | -172.6 | -164.8 | 174.2 | -100 | 0 | 110.9 | N144 A145 Q146 V150 T151 E152 | N144-K148 WeakPolarHBondContact O-CB 3.45Å; N144-K148 PolarHBondContact O-N 3.03Å; A145-K148 WeakPolarHBondContact O-CB 3.19Å; A145-K148 PolarHBondContact O-N 3.45Å; Q146-K148 VanDerWaalsContact C-N 3.34Å; Q146-K148 PolarHBondContact O-N 3.09Å; K148-V150 VanDerWaalsContact C-N 3.35Å; K148-V150 PolarHBondContact O-N 2.92Å; K148-T151 PolarHBondContact O-N 3.36Å; K148-E152 VanDerWaalsContact CE-OE1 3.23Å; K148-E152 WeakPolarHBondContact CE-OE1 3.42Å; K148-E152 HydrophobicContact CG-CG 4.4Å; K148-E152 IonicContact NZ-OE1 2.68Å; K148-E152 PolarHBondContact NZ-OE1 3.25Å; K148-E152 IonicContact NZ-OE2 2.78Å; K148-E152 PolarHBondContact NZ-OE2 3.38Å; K148-E152 WeakPolarHBondContact O-CB 3.29Å; K148-E152 WeakPolarHBondContact O-CG 2.79Å; K148-E152 PolarHBondContact O-N 3.48Å |
| 149 | L | 93.2 | Very high | 91.3 | Very high | 98 Ų | 98 | 81.9 Ų | 81.9 | 51% | 0.513 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 178.7 | -174.3 | 155.2 | 0 | 0 | 0 | 112.2 | A145 Q146 K147 E152 K153 | A145-L149 PolarHBondContact O-N 3.33Å; Q146-L149 PolarHBondContact O-N 2.84Å; K147-L149 PolarHBondContact O-N 3.46Å; L149-E152 PolarHBondContact O-N 3.23Å; L149-K153 PolarHBondContact O-N 2.89Å |
| 150 | V | 91.2 | Very high | 91.1 | Very high | 83 Ų | 83 | 82.6 Ų | 82.6 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 175.6 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | Q146 K147 K148 K153 R154 | Q146-V150 WeakPolarHBondContact O-CG2 3.31Å; Q146-V150 PolarHBondContact O-N 3.5Å; Q146-V150 VanDerWaalsContact O-N 3.1Å; K147-V150 PolarHBondContact O-N 3.17Å; K148-V150 VanDerWaalsContact C-N 3.35Å; K148-V150 PolarHBondContact O-N 2.92Å; V150-K153 PolarHBondContact O-N 3.38Å; V150-R154 PolarHBondContact O-N 3.42Å |
| 151 | T | 84.8 | Confident | 90.8 | Very high | 42 Ų | 42 | 81.3 Ų | 81.3 | 26% | 0.258 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.6 | -41.3 | 176.3 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | K147 K148 K153 R154 M155 | K147-T151 PolarHBondContact O-N 2.93Å; K147-T151 PolarHBondContact O-OG1 3.3Å; K148-T151 PolarHBondContact O-N 3.36Å; T151-K153 VanDerWaalsContact C-N 3.34Å; T151-K153 PolarHBondContact O-N 2.91Å; T151-R154 PolarHBondContact O-N 3.31Å; T151-M155 HydrophobicContact CG2-CG 4.48Å; T151-M155 WeakPolarHBondContact O-CB 3.5Å; T151-M155 WeakPolarHBondContact O-CG 3.36Å; T151-M155 PolarHBondContact O-N 3.48Å |
| 152 | E | 91 | Very high | 90.5 | Very high | 102 Ų | 102 | 79.6 Ų | 79.6 | 48% | 0.477 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 175.5 | -75.5 | 179.5 | 143.9 | 0 | 0 | 111.4 | K148 L149 M155 Q156 | K148-E152 VanDerWaalsContact CE-OE1 3.23Å; K148-E152 WeakPolarHBondContact CE-OE1 3.42Å; K148-E152 HydrophobicContact CG-CG 4.4Å; K148-E152 IonicContact NZ-OE1 2.68Å; K148-E152 PolarHBondContact NZ-OE1 3.25Å; K148-E152 IonicContact NZ-OE2 2.78Å; K148-E152 PolarHBondContact NZ-OE2 3.38Å; K148-E152 WeakPolarHBondContact O-CB 3.29Å; K148-E152 WeakPolarHBondContact O-CG 2.79Å; K148-E152 PolarHBondContact O-N 3.48Å; L149-E152 PolarHBondContact O-N 3.23Å; E152-M155 PolarHBondContact O-N 3.41Å; E152-Q156 PolarHBondContact O-N 2.9Å |
| 153 | K | 90.2 | Very high | 90.3 | Very high | 128 Ų | 128 | 77.4 Ų | 77.4 | 56% | 0.557 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.4 | -44.6 | 172.1 | -173.2 | 173.2 | -174.4 | -84.8 | 0 | 112.5 | L149 V150 T151 M155 Q156 E157 | L149-K153 PolarHBondContact O-N 2.89Å; V150-K153 PolarHBondContact O-N 3.38Å; T151-K153 VanDerWaalsContact C-N 3.34Å; T151-K153 PolarHBondContact O-N 2.91Å; K153-M155 VanDerWaalsContact C-N 3.31Å; K153-M155 PolarHBondContact O-N 2.84Å; K153-Q156 WeakPolarHBondContact O-CB 3.44Å; K153-Q156 PolarHBondContact O-N 3.11Å; K153-E157 IonicContact NZ-OE1 2.62Å; K153-E157 PolarHBondContact NZ-OE1 3.02Å; K153-E157 WeakPolarHBondContact O-CG 3.03Å; K153-E157 PolarHBondContact O-N 3.24Å |
| 154 | R | 85.9 | Confident | 90 | Very high | 60 Ų | 60 | 76.9 Ų | 76.9 | 23% | 0.226 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.6 | -35.4 | 177.4 | -168.6 | 175.5 | -176.8 | -171.2 | -2.3 | 112.1 | V150 T151 E157 L158 E251 E254 A255 | V150-R154 PolarHBondContact O-N 3.42Å; T151-R154 PolarHBondContact O-N 3.31Å; R154-E157 PolarHBondContact O-N 3.07Å; R154-L158 WeakPolarHBondContact O-CG 3.43Å; R154-L158 PolarHBondContact O-N 3.1Å; R154-L158 VanDerWaalsContact O-N 3.14Å; R154-E251 PolarHBondContact NH2-O 2.54Å; R154-E251 VanDerWaalsContact NH2-O 3.13Å; R154-E254 PolarHBondContact NH1-O 3.29Å; R154-E254 VanDerWaalsContact NH2-CB 3.31Å; R154-E254 IonicContact NH2-OE2 2.91Å; R154-A255 HydrophobicContact CG-CB 4.17Å |
| 155 | M | 88.4 | Confident | 89.7 | Confident | 35 Ų | 35 | 75.3 Ų | 75.3 | 17% | 0.172 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 172.6 | -74.2 | -62.9 | -59.4 | 0 | 0 | 112 | T151 E152 K153 L158 E159 F256 W412 | T151-M155 HydrophobicContact CG2-CG 4.48Å; T151-M155 WeakPolarHBondContact O-CB 3.5Å; T151-M155 WeakPolarHBondContact O-CG 3.36Å; T151-M155 PolarHBondContact O-N 3.48Å; E152-M155 PolarHBondContact O-N 3.41Å; K153-M155 VanDerWaalsContact C-N 3.31Å; K153-M155 PolarHBondContact O-N 2.84Å; M155-L158 PolarHBondContact O-N 3.41Å; M155-E159 PolarHBondContact O-N 3.35Å; M155-F256 HydrophobicContact CE-CE1 4.27Å; M155-F256 HydrophobicContact CE-CZ 3.97Å; M155-F256 HydrophobicContact SD-CE1 4.1Å; M155-F256 HydrophobicContact SD-CZ 4.03Å; M155-W412 HydrophobicContact CE-CD2 4.17Å; M155-W412 HydrophobicContact CE-CE3 4.28Å |
| 156 | Q | 91.3 | Very high | 89.5 | Confident | 36 Ų | 36 | 77 Ų | 77 | 17% | 0.168 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 174 | -168.2 | 64.8 | 65.2 | 0 | 0 | 112 | E152 K153 L158 E159 D160 | E152-Q156 PolarHBondContact O-N 2.9Å; K153-Q156 WeakPolarHBondContact O-CB 3.44Å; K153-Q156 PolarHBondContact O-N 3.11Å; Q156-L158 PolarHBondContact O-N 3.23Å; Q156-E159 PolarHBondContact NE2-OE2 3.5Å; Q156-E159 WeakPolarHBondContact O-CB 3.48Å; Q156-E159 PolarHBondContact O-N 3Å; Q156-E159 PolarHBondContact OE1-OE2 3.37Å; Q156-D160 PolarHBondContact NE2-OD1 2.89Å; Q156-D160 VanDerWaalsContact O-CG 3.22Å; Q156-D160 PolarHBondContact O-N 3.02Å |
| 157 | E | 89.1 | Confident | 89.3 | Confident | 73 Ų | 73 | 75.7 Ų | 75.7 | 34% | 0.341 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.1 | -27.4 | 176.7 | -71.4 | 170.4 | -172.1 | 0 | 0 | 112.5 | K153 R154 K161 | K153-E157 IonicContact NZ-OE1 2.62Å; K153-E157 PolarHBondContact NZ-OE1 3.02Å; K153-E157 WeakPolarHBondContact O-CG 3.03Å; K153-E157 PolarHBondContact O-N 3.24Å; R154-E157 PolarHBondContact O-N 3.07Å; E157-K161 VanDerWaalsContact O-CD 3.23Å; E157-K161 WeakPolarHBondContact O-CD 3.33Å; E157-K161 WeakPolarHBondContact O-CG 3.47Å; E157-K161 PolarHBondContact O-N 3.48Å |
| 158 | L | 88.4 | Confident | 88.9 | Confident | 10 Ų | 10 | 73.8 Ų | 73.8 | 5% | 0.052 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -79.9 | -37.3 | 171.2 | -70.2 | 169.9 | 0 | 0 | 0 | 113 | R154 M155 Q156 K161 L162 F248 E251 A252 A255 | R154-L158 WeakPolarHBondContact O-CG 3.43Å; R154-L158 PolarHBondContact O-N 3.1Å; R154-L158 VanDerWaalsContact O-N 3.14Å; M155-L158 PolarHBondContact O-N 3.41Å; Q156-L158 PolarHBondContact O-N 3.23Å; L158-K161 PolarHBondContact O-N 3.28Å; L158-L162 WeakPolarHBondContact O-CB 3.48Å; L158-L162 PolarHBondContact O-N 3.02Å; L158-F248 HydrophobicContact CB-CE2 4.19Å; L158-F248 HydrophobicContact CD2-CD2 4.04Å; L158-F248 HydrophobicContact CD2-CE2 3.72Å; L158-F248 WeakPolarHBondContact O-CE2 3.4Å; L158-E251 HydrophobicContact CD2-CB 4.4Å; L158-E251 HydrophobicContact CD2-CG 4.25Å; L158-A252 HydrophobicContact CD1-CB 4.21Å; L158-A252 HydrophobicContact CD2-CB 4.17Å; L158-A255 HydrophobicContact CD1-CB 3.57Å |
| 159 | E | 88.8 | Confident | 88.8 | Confident | 44 Ų | 44 | 74 Ų | 74 | 21% | 0.206 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 174.1 | -175.4 | 172.3 | -138.2 | 0 | 0 | 111 | M155 Q156 K161 L162 I163 W412 | M155-E159 PolarHBondContact O-N 3.35Å; Q156-E159 PolarHBondContact NE2-OE2 3.5Å; Q156-E159 WeakPolarHBondContact O-CB 3.48Å; Q156-E159 PolarHBondContact O-N 3Å; Q156-E159 PolarHBondContact OE1-OE2 3.37Å; E159-K161 VanDerWaalsContact C-N 3.32Å; E159-K161 PolarHBondContact O-N 3.26Å; E159-L162 WeakPolarHBondContact O-CB 3.32Å; E159-L162 PolarHBondContact O-N 2.8Å; E159-L162 VanDerWaalsContact O-N 3.13Å; E159-I163 HydrophobicContact CG-CD1 4.12Å; E159-I163 WeakPolarHBondContact O-CG1 3.42Å; E159-I163 PolarHBondContact O-N 2.98Å; E159-W412 HydrophobicContact CB-CZ2 4.24Å; E159-W412 HydrophobicContact CG-CZ2 4.25Å |
| 160 | D | 91 | Very high | 88.6 | Confident | 85 Ų | 85 | 74 Ų | 74 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.5 | -38.8 | 179.2 | -59.9 | -4.4 | 0 | 0 | 0 | 111.3 | Q156 F164 | Q156-D160 PolarHBondContact NE2-OD1 2.89Å; Q156-D160 VanDerWaalsContact O-CG 3.22Å; Q156-D160 PolarHBondContact O-N 3.02Å; D160-F164 PolarHBondContact O-N 3.15Å; D160-F164 VanDerWaalsContact O-N 3.13Å |
| 161 | K | 87.4 | Confident | 88.3 | Confident | 78 Ų | 78 | 74.5 Ų | 74.5 | 34% | 0.339 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.1 | -39 | 173.5 | -75.1 | 169.1 | -170 | 179.5 | 0 | 112.7 | E157 L158 E159 F164 L165 F248 E251 | E157-K161 VanDerWaalsContact O-CD 3.23Å; E157-K161 WeakPolarHBondContact O-CD 3.33Å; E157-K161 WeakPolarHBondContact O-CG 3.47Å; E157-K161 PolarHBondContact O-N 3.48Å; L158-K161 PolarHBondContact O-N 3.28Å; E159-K161 VanDerWaalsContact C-N 3.32Å; E159-K161 PolarHBondContact O-N 3.26Å; K161-F164 PolarHBondContact O-N 3.36Å; K161-L165 WeakPolarHBondContact O-CG 3.07Å; K161-L165 PolarHBondContact O-N 3.12Å; K161-F248 HydrophobicContact CB-CD2 3.85Å; K161-F248 HydrophobicContact CB-CE2 3.95Å; K161-E251 IonicContact NZ-OE1 3.28Å; K161-E251 PolarHBondContact NZ-OE1 2.99Å; K161-E251 IonicContact NZ-OE2 3.43Å; K161-E251 PolarHBondContact NZ-OE2 2.88Å |
| 162 | L | 87.8 | Confident | 88.4 | Confident | 86 Ų | 86 | 74.4 Ų | 74.4 | 45% | 0.45 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | 177.5 | -177.3 | 62.7 | 0 | 0 | 0 | 111 | L158 E159 F164 L165 E166 F248 | L158-L162 WeakPolarHBondContact O-CB 3.48Å; L158-L162 PolarHBondContact O-N 3.02Å; E159-L162 WeakPolarHBondContact O-CB 3.32Å; E159-L162 PolarHBondContact O-N 2.8Å; E159-L162 VanDerWaalsContact O-N 3.13Å; L162-F164 PolarHBondContact O-N 3.33Å; L162-L165 PolarHBondContact O-N 3.09Å; L162-E166 WeakPolarHBondContact O-CB 3.26Å; L162-E166 PolarHBondContact O-N 2.98Å; L162-F248 HydrophobicContact CB-CE2 4.34Å; L162-F248 HydrophobicContact CB-CZ 3.92Å; L162-F248 HydrophobicContact CD1-CE1 4.01Å; L162-F248 HydrophobicContact CD1-CZ 4.06Å; L162-F248 HydrophobicContact CG-CZ 4.48Å |
| 163 | I | 89.9 | Confident | 88 | Confident | 96 Ų | 96 | 74 Ų | 74 | 49% | 0.492 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 175.9 | -67.1 | 165 | 0 | 0 | 0 | 110.8 | E159 L165 E166 D167 | E159-I163 HydrophobicContact CG-CD1 4.12Å; E159-I163 WeakPolarHBondContact O-CG1 3.42Å; E159-I163 PolarHBondContact O-N 2.98Å; I163-L165 PolarHBondContact O-N 2.77Å; I163-E166 PolarHBondContact O-N 3.49Å; I163-D167 PolarHBondContact O-N 2.78Å |
| 164 | F | 88.8 | Confident | 87.9 | Confident | 124 Ų | 124 | 69.2 Ų | 69.2 | 54% | 0.544 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 175.6 | 173.5 | -101 | 0 | 0 | 0 | 112.9 | D160 K161 L162 R168 | D160-F164 PolarHBondContact O-N 3.15Å; D160-F164 VanDerWaalsContact O-N 3.13Å; K161-F164 PolarHBondContact O-N 3.36Å; L162-F164 PolarHBondContact O-N 3.33Å; F164-R168 WeakPolarHBondContact O-CB 3.49Å; F164-R168 PolarHBondContact O-N 2.96Å |
| 165 | L | 86.2 | Confident | 87.8 | Confident | 24 Ų | 24 | 71.4 Ų | 71.4 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 175.7 | -73 | 172.7 | 0 | 0 | 0 | 112 | K161 L162 I163 R168 Q169 L245 F248 | K161-L165 WeakPolarHBondContact O-CG 3.07Å; K161-L165 PolarHBondContact O-N 3.12Å; L162-L165 PolarHBondContact O-N 3.09Å; I163-L165 PolarHBondContact O-N 2.77Å; L165-R168 PolarHBondContact O-N 2.91Å; L165-Q169 WeakPolarHBondContact O-CB 3.49Å; L165-Q169 PolarHBondContact O-N 2.97Å; L165-L245 HydrophobicContact CD1-CD1 4.24Å; L165-F248 HydrophobicContact CD1-CB 3.75Å; L165-F248 HydrophobicContact CD1-CD1 4Å; L165-F248 HydrophobicContact CD1-CD2 4.29Å; L165-F248 HydrophobicContact CD1-CG 3.73Å |
| 166 | E | 89.7 | Confident | 87.7 | Confident | 94 Ų | 94 | 73.9 Ų | 73.9 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 177.2 | -159.6 | -146.5 | 175.5 | 0 | 0 | 111.8 | L162 I163 Q169 K170 | L162-E166 WeakPolarHBondContact O-CB 3.26Å; L162-E166 PolarHBondContact O-N 2.98Å; I163-E166 PolarHBondContact O-N 3.49Å; E166-Q169 PolarHBondContact O-N 2.94Å; E166-K170 VanDerWaalsContact O-CG 3.32Å; E166-K170 WeakPolarHBondContact O-CG 3.5Å; E166-K170 PolarHBondContact O-N 3.09Å; E166-K170 WeakPolarHBondContact OE1-CE 3.5Å; E166-K170 IonicContact OE1-NZ 2.63Å; E166-K170 PolarHBondContact OE1-NZ 3.33Å; E166-K170 IonicContact OE2-NZ 2.7Å; E166-K170 PolarHBondContact OE2-NZ 2.63Å |
| 167 | D | 88.4 | Confident | 87.4 | Confident | 85 Ų | 85 | 78.2 Ų | 78.2 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 174 | -178.2 | 71 | 0 | 0 | 0 | 112 | I163 Q169 K170 N171 | I163-D167 PolarHBondContact O-N 2.78Å; D167-Q169 VanDerWaalsContact C-N 3.27Å; D167-Q169 PolarHBondContact O-N 3.39Å; D167-K170 WeakPolarHBondContact O-CB 3.27Å; D167-K170 PolarHBondContact O-N 3.5Å; D167-K170 VanDerWaalsContact O-N 3.16Å; D167-N171 WeakPolarHBondContact O-CB 3.31Å; D167-N171 PolarHBondContact O-N 3.4Å; D167-N171 PolarHBondContact O-ND2 2.73Å; D167-N171 PolarHBondContact OD1-ND2 2.95Å; D167-N171 PolarHBondContact OD2-ND2 3.41Å |
| 168 | R | 84.8 | Confident | 87.2 | Confident | 56 Ų | 56 | 79.1 Ų | 79.1 | 21% | 0.211 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.8 | -40.1 | 173.2 | -178.8 | 175.9 | 175.5 | 165.6 | 0.2 | 111.8 | F164 L165 L172 K237 S240 S241 | F164-R168 WeakPolarHBondContact O-CB 3.49Å; F164-R168 PolarHBondContact O-N 2.96Å; L165-R168 PolarHBondContact O-N 2.91Å; R168-L172 HydrophobicContact CG-CD1 4.43Å; R168-L172 WeakPolarHBondContact O-CG 3.41Å; R168-L172 PolarHBondContact O-N 3.48Å; R168-K237 PolarHBondContact NH2-O 3.3Å; R168-S240 PolarHBondContact NH2-O 2.84Å; R168-S241 VanDerWaalsContact CZ-OG 3.29Å; R168-S241 PolarHBondContact NE-OG 2.88Å; R168-S241 PolarHBondContact NH2-OG 3.14Å |
| 169 | Q | 87.9 | Confident | 86.9 | Confident | 114 Ų | 114 | 81.4 Ų | 81.4 | 53% | 0.533 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.2 | -43 | 175.2 | -169.7 | -175.3 | -21.9 | 0 | 0 | 111.8 | L165 E166 D167 N171 L172 M173 | L165-Q169 WeakPolarHBondContact O-CB 3.49Å; L165-Q169 PolarHBondContact O-N 2.97Å; E166-Q169 PolarHBondContact O-N 2.94Å; D167-Q169 VanDerWaalsContact C-N 3.27Å; D167-Q169 PolarHBondContact O-N 3.39Å; Q169-N171 VanDerWaalsContact C-N 3.32Å; Q169-N171 PolarHBondContact O-N 3.41Å; Q169-L172 PolarHBondContact O-N 2.91Å; Q169-M173 HydrophobicContact CG-CE 4.1Å; Q169-M173 HydrophobicContact CG-CG 4.47Å; Q169-M173 HydrophobicContact CG-SD 4.39Å; Q169-M173 WeakPolarHBondContact O-CB 3.32Å; Q169-M173 WeakPolarHBondContact O-CG 3.36Å; Q169-M173 PolarHBondContact O-N 3.29Å |
| 170 | K | 89.5 | Confident | 86.6 | Confident | 99 Ų | 99 | 84.4 Ų | 84.4 | 43% | 0.43 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -56.9 | -44.6 | 174.6 | -73.2 | 163.1 | -179.7 | 166.6 | 0 | 111.5 | E166 D167 M173 A174 | E166-K170 VanDerWaalsContact O-CG 3.32Å; E166-K170 WeakPolarHBondContact O-CG 3.5Å; E166-K170 PolarHBondContact O-N 3.09Å; E166-K170 WeakPolarHBondContact OE1-CE 3.5Å; E166-K170 IonicContact OE1-NZ 2.63Å; E166-K170 PolarHBondContact OE1-NZ 3.33Å; E166-K170 IonicContact OE2-NZ 2.7Å; E166-K170 PolarHBondContact OE2-NZ 2.63Å; D167-K170 WeakPolarHBondContact O-CB 3.27Å; D167-K170 PolarHBondContact O-N 3.5Å; D167-K170 VanDerWaalsContact O-N 3.16Å; K170-M173 HydrophobicContact CG-CE 4.5Å; K170-M173 PolarHBondContact O-N 2.88Å; K170-A174 PolarHBondContact O-N 3.28Å |
| 171 | N | 85.4 | Confident | 86.2 | Confident | 93 Ų | 93 | 87.1 Ų | 87.1 | 50% | 0.497 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 176.4 | -77 | -60.2 | 0 | 0 | 0 | 113 | D167 Q169 A174 Y175 | D167-N171 WeakPolarHBondContact O-CB 3.31Å; D167-N171 PolarHBondContact O-N 3.4Å; D167-N171 PolarHBondContact O-ND2 2.73Å; D167-N171 PolarHBondContact OD1-ND2 2.95Å; D167-N171 PolarHBondContact OD2-ND2 3.41Å; Q169-N171 VanDerWaalsContact C-N 3.32Å; Q169-N171 PolarHBondContact O-N 3.41Å; N171-A174 PolarHBondContact O-N 2.81Å; N171-Y175 PolarHBondContact O-N 3.09Å |
| 172 | L | 85.9 | Confident | 85.4 | Confident | 41 Ų | 41 | 85.2 Ų | 85.2 | 22% | 0.215 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 173.6 | -73.7 | 169.4 | 0 | 0 | 0 | 112.1 | R168 Q169 A174 Y175 V176 | R168-L172 HydrophobicContact CG-CD1 4.43Å; R168-L172 WeakPolarHBondContact O-CG 3.41Å; R168-L172 PolarHBondContact O-N 3.48Å; Q169-L172 PolarHBondContact O-N 2.91Å; L172-A174 VanDerWaalsContact C-N 3.31Å; L172-A174 PolarHBondContact O-N 3.33Å; L172-Y175 PolarHBondContact O-N 3.2Å; L172-V176 WeakPolarHBondContact O-CG2 3.42Å; L172-V176 PolarHBondContact O-N 3.48Å |
| 173 | M | 83.9 | Confident | 84.1 | Confident | 94 Ų | 94 | 86 Ų | 86 | 46% | 0.463 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.8 | -31 | 175.7 | -70 | -172.2 | -60.5 | 0 | 0 | 112.7 | Q169 K170 R177 | Q169-M173 HydrophobicContact CG-CE 4.1Å; Q169-M173 HydrophobicContact CG-CG 4.47Å; Q169-M173 HydrophobicContact CG-SD 4.39Å; Q169-M173 WeakPolarHBondContact O-CB 3.32Å; Q169-M173 WeakPolarHBondContact O-CG 3.36Å; Q169-M173 PolarHBondContact O-N 3.29Å; K170-M173 HydrophobicContact CG-CE 4.5Å; K170-M173 PolarHBondContact O-N 2.88Å; M173-R177 WeakPolarHBondContact O-CB 3.4Å; M173-R177 PolarHBondContact O-N 2.73Å |
| 174 | A | 88.1 | Confident | 82.6 | Confident | 26 Ų | 26 | 84.3 Ų | 84.3 | 22% | 0.215 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.8 | -50.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K170 N171 L172 V176 R177 D178 | K170-A174 PolarHBondContact O-N 3.28Å; N171-A174 PolarHBondContact O-N 2.81Å; L172-A174 VanDerWaalsContact C-N 3.31Å; L172-A174 PolarHBondContact O-N 3.33Å; A174-V176 VanDerWaalsContact C-N 3.32Å; A174-V176 PolarHBondContact O-N 3.05Å; A174-R177 WeakPolarHBondContact O-CA 3.31Å; A174-R177 VanDerWaalsContact O-CB 3.31Å; A174-R177 WeakPolarHBondContact O-CB 3.21Å; A174-R177 PolarHBondContact O-N 3.28Å; A174-D178 PolarHBondContact O-N 3.36Å |
| 175 | Y | 82.7 | Confident | 80.8 | Confident | 107 Ų | 107 | 82.7 Ų | 82.7 | 42% | 0.42 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.1 | -40.8 | 177.5 | -176.9 | -109.7 | 0 | 0 | 0 | 113.1 | N171 L172 D178 I179 | N171-Y175 PolarHBondContact O-N 3.09Å; L172-Y175 PolarHBondContact O-N 3.2Å; Y175-D178 PolarHBondContact O-N 3.01Å; Y175-I179 HydrophobicContact CD1-CD1 3.88Å; Y175-I179 HydrophobicContact CE1-CD1 3.43Å; Y175-I179 VanDerWaalsContact CE1-CD1 3.43Å; Y175-I179 HydrophobicContact CE2-CD1 4.26Å; Y175-I179 HydrophobicContact CG-CD1 4.47Å; Y175-I179 WeakPolarHBondContact O-CG1 3.16Å; Y175-I179 PolarHBondContact O-N 2.86Å; Y175-I179 VanDerWaalsContact O-N 3.1Å |
| 176 | V | 86 | Confident | 79.2 | Confident | 87 Ų | 87 | 86.6 Ų | 86.6 | 53% | 0.527 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 173.9 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | L172 A174 I179 V180 | L172-V176 WeakPolarHBondContact O-CG2 3.42Å; L172-V176 PolarHBondContact O-N 3.48Å; A174-V176 VanDerWaalsContact C-N 3.32Å; A174-V176 PolarHBondContact O-N 3.05Å; V176-I179 PolarHBondContact O-N 2.97Å; V176-V180 HydrophobicContact CG1-CG2 4.49Å; V176-V180 WeakPolarHBondContact O-CG2 3.31Å; V176-V180 PolarHBondContact O-N 3.12Å |
| 177 | R | 85.5 | Confident | 77.1 | Confident | 127 Ų | 127 | 86.7 Ų | 86.7 | 48% | 0.479 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 174.8 | -174.4 | -165.4 | -55.3 | 114.8 | 2.5 | 111.3 | M173 A174 I179 V180 Q181 | M173-R177 WeakPolarHBondContact O-CB 3.4Å; M173-R177 PolarHBondContact O-N 2.73Å; A174-R177 WeakPolarHBondContact O-CA 3.31Å; A174-R177 VanDerWaalsContact O-CB 3.31Å; A174-R177 WeakPolarHBondContact O-CB 3.21Å; A174-R177 PolarHBondContact O-N 3.28Å; R177-I179 VanDerWaalsContact C-N 3.32Å; R177-I179 PolarHBondContact O-N 3.28Å; R177-V180 PolarHBondContact O-N 3.29Å; R177-Q181 HydrophobicContact CG-CG 4.34Å; R177-Q181 WeakPolarHBondContact O-CB 3.39Å; R177-Q181 WeakPolarHBondContact O-CG 3.36Å; R177-Q181 PolarHBondContact O-N 2.99Å |
| 178 | D | 84.8 | Confident | 74.9 | Confident | 92 Ų | 92 | 87.4 Ų | 87.4 | 49% | 0.492 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.5 | -39.2 | -177.2 | -59.1 | -17.1 | 0 | 0 | 0 | 111.1 | A174 Y175 Q181 A182 | A174-D178 PolarHBondContact O-N 3.36Å; Y175-D178 PolarHBondContact O-N 3.01Å; D178-Q181 PolarHBondContact O-N 3.4Å; D178-A182 WeakPolarHBondContact O-CB 3.41Å; D178-A182 PolarHBondContact O-N 3.49Å |
| 179 | I | 83.3 | Confident | 73.2 | Confident | 58 Ų | 58 | 92.6 Ų | 92.6 | 30% | 0.297 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 172 | -75 | 173.4 | 0 | 0 | 0 | 111.6 | Y175 V176 R177 Q181 A182 F186 | Y175-I179 HydrophobicContact CD1-CD1 3.88Å; Y175-I179 HydrophobicContact CE1-CD1 3.43Å; Y175-I179 VanDerWaalsContact CE1-CD1 3.43Å; Y175-I179 HydrophobicContact CE2-CD1 4.26Å; Y175-I179 HydrophobicContact CG-CD1 4.47Å; Y175-I179 WeakPolarHBondContact O-CG1 3.16Å; Y175-I179 PolarHBondContact O-N 2.86Å; Y175-I179 VanDerWaalsContact O-N 3.1Å; V176-I179 PolarHBondContact O-N 2.97Å; R177-I179 VanDerWaalsContact C-N 3.32Å; R177-I179 PolarHBondContact O-N 3.28Å; I179-Q181 VanDerWaalsContact C-N 3.34Å; I179-Q181 PolarHBondContact O-N 3.07Å; I179-A182 PolarHBondContact O-N 2.79Å; I179-F186 HydrophobicContact CG2-CE2 3.59Å; I179-F186 HydrophobicContact CG2-CZ 3.43Å; I179-F186 VanDerWaalsContact CG2-CZ 3.43Å |
| 180 | V | 81.6 | Confident | 71.4 | Confident | 106 Ų | 106 | 93.5 Ų | 93.5 | 64% | 0.642 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.4 | -32 | -178.8 | 171.2 | 0 | 0 | 0 | 0 | 112 | V176 R177 A182 | V176-V180 HydrophobicContact CG1-CG2 4.49Å; V176-V180 WeakPolarHBondContact O-CG2 3.31Å; V176-V180 PolarHBondContact O-N 3.12Å; R177-V180 PolarHBondContact O-N 3.29Å; V180-A182 VanDerWaalsContact C-N 3.28Å; V180-A182 PolarHBondContact O-N 2.86Å |
| 181 | Q | 82 | Confident | 69.2 | Low | 143 Ų | 143 | 96.5 Ų | 96.5 | 67% | 0.668 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -80.1 | -5.1 | 175.7 | -68.7 | -174.1 | 7.9 | 0 | 0 | 113.8 | R177 D178 I179 P183 | R177-Q181 HydrophobicContact CG-CG 4.34Å; R177-Q181 WeakPolarHBondContact O-CB 3.39Å; R177-Q181 WeakPolarHBondContact O-CG 3.36Å; R177-Q181 PolarHBondContact O-N 2.99Å; D178-Q181 PolarHBondContact O-N 3.4Å; I179-Q181 VanDerWaalsContact C-N 3.34Å; I179-Q181 PolarHBondContact O-N 3.07Å; Q181-P183 WeakPolarHBondContact O-CD 3.18Å |
| 182 | A | 72.3 | Confident | 67.1 | Low | 38 Ų | 38 | 101 Ų | 101 | 31% | 0.314 | 56% | 0.555 | S | S | . | * | trans | -110.7 | 62.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D178 I179 V180 G184 S185 | D178-A182 WeakPolarHBondContact O-CB 3.41Å; D178-A182 PolarHBondContact O-N 3.49Å; I179-A182 PolarHBondContact O-N 2.79Å; V180-A182 VanDerWaalsContact C-N 3.28Å; V180-A182 PolarHBondContact O-N 2.86Å; A182-G184 PolarHBondContact O-N 2.93Å; A182-S185 PolarHBondContact O-N 2.91Å; A182-S185 VanDerWaalsContact O-N 3.08Å; A182-S185 PolarHBondContact O-OG 2.78Å | ||
| 183 | P | 60 | Low | 64.8 | Low | 103 Ų | 103 | 104.5 Ų | 104.5 | 67% | 0.669 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -62.7 | -15 | -172.7 | 26.5 | -36.2 | 0 | 0 | 0 | 114.7 | Q181 S185 | Q181-P183 WeakPolarHBondContact O-CD 3.18Å; P183-S185 VanDerWaalsContact C-N 3.34Å |
| 184 | G | 58.7 | Low | 62.4 | Low | 60 Ų | 60 | 106.9 Ų | 106.9 | 62% | 0.619 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -69.7 | -25.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A182 F186 S187 | A182-G184 PolarHBondContact O-N 2.93Å; G184-F186 VanDerWaalsContact C-N 3.31Å; G184-F186 PolarHBondContact O-N 2.68Å; G184-S187 PolarHBondContact O-OG 2.95Å |
| 185 | S | 51.2 | Low | 60.5 | Low | 89 Ų | 89 | 113.8 Ų | 113.8 | 62% | 0.622 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -71.3 | -21.8 | -172.1 | -59.6 | 0 | 0 | 0 | 0 | 114.3 | A182 P183 S187 | A182-S185 PolarHBondContact O-N 2.91Å; A182-S185 VanDerWaalsContact O-N 3.08Å; A182-S185 PolarHBondContact O-OG 2.78Å; P183-S185 VanDerWaalsContact C-N 3.34Å; S185-S187 PolarHBondContact O-N 2.95Å |
| 186 | F | 51.3 | Low | 58.8 | Low | 106 Ų | 106 | 116.1 Ų | 116.1 | 47% | 0.465 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -83 | -6.5 | -175.3 | -77.1 | -79.3 | 0 | 0 | 0 | 114.9 | I179 G184 S188 F189 | I179-F186 HydrophobicContact CG2-CE2 3.59Å; I179-F186 HydrophobicContact CG2-CZ 3.43Å; I179-F186 VanDerWaalsContact CG2-CZ 3.43Å; G184-F186 VanDerWaalsContact C-N 3.31Å; G184-F186 PolarHBondContact O-N 2.68Å; F186-S188 PolarHBondContact O-N 3.42Å; F186-F189 WeakPolarHBondContact O-CB 3.43Å; F186-F189 PolarHBondContact O-N 3.26Å |
| 187 | S | 46.5 | Very low | 56.4 | Low | 96 Ų | 96 | 115.7 Ų | 115.7 | 67% | 0.671 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -62.5 | -13.8 | -174.4 | -55.1 | 0 | 0 | 0 | 0 | 114.8 | G184 S185 | G184-S187 PolarHBondContact O-OG 2.95Å; S185-S187 PolarHBondContact O-N 2.95Å |
| 188 | S | 42.7 | Very low | 54.6 | Low | 101 Ų | 101 | 119.4 Ų | 119.4 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -90.5 | -13.1 | 173.6 | 60.9 | 0 | 0 | 0 | 0 | 114.5 | F186 | F186-S188 PolarHBondContact O-N 3.42Š|
| 189 | F | 48.2 | Very low | 52.8 | Low | 165 Ų | 165 | 124.7 Ų | 124.7 | 72% | 0.724 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -22.4 | -170.5 | -170.1 | -104.9 | 0 | 0 | 0 | 114 | F186 | F186-F189 WeakPolarHBondContact O-CB 3.43Å; F186-F189 PolarHBondContact O-N 3.26Å |
| 190 | V | 50.2 | Low | 51.1 | Low | 132 Ų | 132 | 133.7 Ų | 133.7 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -0.4 | -169.9 | -175.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 191 | Q | 42.5 | Very low | 49.5 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 76% | 0.757 | 73% | 0.73 | S | S | * | * | trans | -122.3 | 65.7 | -162.5 | -159.3 | 166.6 | 57.4 | 0 | 0 | 115.2 | ||||
| 192 | Q | 41.7 | Very low | 47.9 | Very low | 189 Ų | 189 | 140.4 Ų | 140.4 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | trans | -140.2 | 111.3 | 154.9 | -77.1 | -159.3 | -1.2 | 0 | 0 | 112.1 | ||||
| 193 | P | 38.4 | Very low | 46.6 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -84.1 | 150.3 | 162.4 | 34.2 | -32.1 | 0 | 0 | 0 | 111.9 | ||||
| 194 | D | 32.1 | Very low | 46 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | 26.8 | 110.2 | 158.2 | -65.6 | -60.1 | 0 | 0 | 0 | 121.1 | ||||
| 195 | H | 48.4 | Very low | 45.4 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | trans | -153.9 | 102.1 | 133.1 | -89.8 | -45.4 | 0 | 0 | 0 | 113.7 | ||||
| 196 | H | 47.2 | Very low | 45 | Very low | 157 Ų | 157 | 151.1 Ų | 151.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | 47.5 | 82.7 | 145.8 | -43.6 | -53.5 | 0 | 0 | 0 | 120.9 | ||||
| 197 | G | 36.2 | Very low | 44.2 | Very low | 78 Ų | 78 | 151.5 Ų | 151.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | 49.7 | 87.6 | 122.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 198 | K | 47.5 | Very low | 43.6 | Very low | 204 Ų | 204 | 154 Ų | 154 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -126.5 | 146.2 | 140.4 | -89.3 | 98.2 | 178.2 | -174.4 | 0 | 109.6 | R200 | K198-R200 PolarHBondContact O-N 2.88Š| ||
| 199 | K | 47.4 | Very low | 43.3 | Very low | 203 Ų | 203 | 159.6 Ų | 159.6 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 126.7 | -172.8 | -61.8 | 178.9 | -179.4 | -178.9 | 0 | 110.4 | R201 | K199-R201 PolarHBondContact O-N 3.01Š|
| 200 | R | 46.9 | Very low | 42.8 | Very low | 247 Ų | 247 | 159.3 Ų | 159.3 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 119.4 | 167.5 | -54.7 | -179.2 | -157.6 | 150 | 4.2 | 108.2 | K198 | K198-R200 PolarHBondContact O-N 2.88Š|
| 201 | R | 47.7 | Very low | 42.2 | Very low | 237 Ų | 237 | 159.6 Ų | 159.6 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 134.9 | 159.1 | -79.3 | -174.6 | 164.7 | -165.9 | -5.3 | 107.1 | K199 | K199-R201 PolarHBondContact O-N 3.01Š|
| 202 | L | 48.6 | Very low | 41.7 | Very low | 153 Ų | 153 | 157.1 Ų | 157.1 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 139.8 | 165.8 | -80.4 | 72 | 0 | 0 | 0 | 108.3 | ||
| 203 | P | 44.9 | Very low | 41.3 | Very low | 124 Ų | 124 | 156.1 Ų | 156.1 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 140.3 | 160.7 | -20.2 | 33.3 | 0 | 0 | 0 | 109.9 | ||
| 204 | V | 47.4 | Very low | 41.6 | Very low | 122 Ų | 122 | 156 Ų | 156 | 74% | 0.739 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 137 | 172 | 177.6 | 0 | 0 | 0 | 0 | 107.8 | I206 | V204-I206 PolarHBondContact O-N 3.4Š|
| 205 | P | 45.5 | Very low | 41.7 | Very low | 123 Ų | 123 | 158.9 Ų | 158.9 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 124.8 | 175.3 | -22.9 | 33.8 | 0 | 0 | 0 | 111 | S207 | P205-S207 PolarHBondContact O-N 3.22Š|
| 206 | I | 43.2 | Very low | 41.2 | Very low | 147 Ų | 147 | 154.4 Ų | 154.4 | 75% | 0.754 | 82% | 0.823 | S | S | * | * | trans | -85.4 | 114.3 | 177 | -64.4 | 178 | 0 | 0 | 0 | 108.3 | V204 L208 | V204-I206 PolarHBondContact O-N 3.4Å; I206-L208 PolarHBondContact O-N 2.83Å | ||
| 207 | S | 33.9 | Very low | 40.7 | Very low | 114 Ų | 114 | 154.3 Ų | 154.3 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | -58.9 | 118.4 | 164.3 | 173.4 | 0 | 0 | 0 | 0 | 109.2 | P205 | P205-S207 PolarHBondContact O-N 3.22Š| ||
| 208 | L | 35.1 | Very low | 40.9 | Very low | 147 Ų | 147 | 159 Ų | 159 | 77% | 0.77 | 83% | 0.828 | S | S | * | * | trans | -121 | 96.5 | -175.2 | -137 | 174.6 | 0 | 0 | 0 | 111 | I206 | I206-L208 PolarHBondContact O-N 2.83Š| ||
| 209 | Y | 35.2 | Very low | 40.5 | Very low | 219 Ų | 219 | 154.5 Ų | 154.5 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | trans | -118.3 | 163.7 | 156.2 | -102.6 | -91.8 | 0 | 0 | 0 | 107.8 | ||||
| 210 | Q | 38.7 | Very low | 39.9 | Very low | 159 Ų | 159 | 150.5 Ų | 150.5 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 85 | 97.8 | 170.6 | -158.3 | 106.5 | 65.6 | 0 | 0 | 117.4 | ||
| 211 | D | 36.7 | Very low | 39.4 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | trans | 46.5 | 110.8 | 135.5 | -47 | -32.7 | 0 | 0 | 0 | 121.3 | ||||
| 212 | S | 34 | Very low | 38.6 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -91 | 117 | 163.8 | 55.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 213 | N | 33.2 | Very low | 37.7 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | -164.1 | 94.5 | 163.4 | -99.5 | -43 | 0 | 0 | 0 | 112.5 | ||||
| 214 | A | 43.3 | Very low | 37.2 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | trans | -172.3 | 138.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 215 | E | 34.7 | Very low | 36.5 | Very low | 203 Ų | 203 | 141.9 Ų | 141.9 | 95% | 0.949 | 81% | 0.81 | S | S | * | * | trans | -114.5 | 134.1 | -179 | -171.2 | 174.4 | -166.7 | 0 | 0 | 109.5 | ||||
| 216 | G | 38.4 | Very low | 36 | Very low | 78 Ų | 78 | 141.5 Ų | 141.5 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -169.2 | 76.8 | -165.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 217 | N | 36 | Very low | 35.8 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -39.7 | 138.1 | 169.1 | -74 | -48.4 | 0 | 0 | 0 | 116.9 | ||||
| 218 | Q | 41 | Very low | 35.9 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | 172.5 | 147.4 | 104.8 | -97.2 | -172.1 | 88.4 | 0 | 0 | 118.1 | |||||
| 219 | V | 38.8 | Very low | 36.5 | Very low | 110 Ų | 110 | 138 Ų | 138 | 67% | 0.667 | 79% | 0.791 | S | S | * | * | trans | 67 | 96.7 | 141.9 | 178.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 220 | V | 34.6 | Very low | 37.2 | Very low | 120 Ų | 120 | 130 Ų | 130 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | 27.2 | 122.4 | 118.8 | -176.4 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 221 | H | 36.4 | Very low | 37.5 | Very low | 186 Ų | 186 | 127.4 Ų | 127.4 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | -171 | 148.6 | 121 | -114.2 | -75.3 | 0 | 0 | 0 | 114.6 | |||||
| 222 | G | 32 | Very low | 38.2 | Very low | 74 Ų | 74 | 129.8 Ų | 129.8 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | trans | 78 | 108.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 223 | G | 28.2 | Very low | 39.2 | Very low | 82 Ų | 82 | 130.1 Ų | 130.1 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | -86.1 | 145.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 224 | F | 34.4 | Very low | 40.4 | Very low | 192 Ų | 192 | 123.8 Ų | 123.8 | 84% | 0.842 | 73% | 0.725 | S | S | * | * | trans | -141.6 | 140.1 | 158 | -154.6 | -95.4 | 0 | 0 | 0 | 110.3 | T226 | F224-T226 PolarHBondContact O-N 2.88Š| ||
| 225 | I | 33.5 | Very low | 41.4 | Very low | 167 Ų | 167 | 124.6 Ų | 124.6 | 86% | 0.856 | 71% | 0.708 | S | S | * | * | trans | -74.3 | 117.6 | -174.2 | -60 | 171.6 | 0 | 0 | 0 | 109.2 | ||||
| 226 | T | 34.5 | Very low | 43.1 | Very low | 116 Ų | 116 | 118.4 Ų | 118.4 | 71% | 0.712 | 68% | 0.682 | S | S | * | * | trans | -142 | 137.4 | 175.4 | -31.6 | 0 | 0 | 0 | 0 | 111.7 | F224 | F224-T226 PolarHBondContact O-N 2.88Š| ||
| 227 | N | 38.4 | Very low | 44.9 | Very low | 141 Ų | 141 | 120.7 Ų | 120.7 | 75% | 0.754 | 67% | 0.67 | S | S | * | * | trans | -35.2 | 151.1 | -174.1 | -54.5 | -24.4 | 0 | 0 | 0 | 118.5 | ||||
| 228 | P | 36.2 | Very low | 46.5 | Very low | 112 Ų | 112 | 116.2 Ų | 116.2 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | trans | -67.7 | 144.7 | -178.6 | 28.9 | -36.1 | 0 | 0 | 0 | 113.4 | A230 | P228-A230 VanDerWaalsContact C-N 3.33Å; P228-A230 PolarHBondContact O-N 3Å | ||
| 229 | P | 48.7 | Very low | 48.1 | Very low | 82 Ų | 82 | 112.6 Ų | 112.6 | 53% | 0.532 | 63% | 0.631 | S | S | . | * | trans | -79.9 | -4.8 | -173 | 32.7 | -37.8 | 0 | 0 | 0 | 115.6 | C231 R232 E233 | P229-C231 PolarHBondContact O-N 2.93Å; P229-R232 PolarHBondContact O-N 3.21Å; P229-E233 VanDerWaalsContact CG-OE1 3.28Å; P229-E233 WeakPolarHBondContact CG-OE1 3.37Å | ||
| 230 | A | 49.2 | Very low | 49.8 | Very low | 49 Ų | 49 | 110.5 Ų | 110.5 | 41% | 0.405 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -53.3 | -28.6 | -160.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | P228 S234 | P228-A230 VanDerWaalsContact C-N 3.33Å; P228-A230 PolarHBondContact O-N 3Å; A230-S234 PolarHBondContact O-N 3.45Å; A230-S234 PolarHBondContact O-OG 2.9Å |
| 231 | C | 46.4 | Very low | 51.5 | Low | 106 Ų | 106 | 105.7 Ų | 105.7 | 72% | 0.716 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -82.4 | -12.2 | -179.3 | -156.1 | 0 | 0 | 0 | 0 | 113.9 | P229 S234 | P229-C231 PolarHBondContact O-N 2.93Å; C231-S234 PolarHBondContact O-OG 3.49Å; C231-S234 VanDerWaalsContact O-OG 3.14Å |
| 232 | R | 50.4 | Low | 53.4 | Low | 187 Ų | 187 | 102.5 Ų | 102.5 | 71% | 0.706 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -90.5 | -46.1 | 174.5 | -173.4 | 173.2 | 178.3 | 171.8 | -0.6 | 111.1 | P229 S234 F235 D236 | P229-R232 PolarHBondContact O-N 3.21Å; R232-S234 PolarHBondContact O-N 2.93Å; R232-F235 PolarHBondContact O-N 2.77Å; R232-D236 PolarHBondContact O-N 3.27Å |
| 233 | E | 54.9 | Low | 55.7 | Low | 118 Ų | 118 | 102.5 Ų | 102.5 | 55% | 0.551 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -56.9 | -33.8 | 175.9 | -65.1 | 172.3 | -178.1 | 0 | 0 | 112.4 | P229 K237 | P229-E233 VanDerWaalsContact CG-OE1 3.28Å; P229-E233 WeakPolarHBondContact CG-OE1 3.37Å; E233-K237 WeakPolarHBondContact O-CB 3.32Å; E233-K237 PolarHBondContact O-N 3.48Å; E233-K237 VanDerWaalsContact O-N 3.07Å |
| 234 | S | 59.5 | Low | 58.1 | Low | 35 Ų | 35 | 100.4 Ų | 100.4 | 25% | 0.245 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -67.6 | -38.9 | 174.9 | 58 | 0 | 0 | 0 | 0 | 112.9 | A230 C231 R232 T238 | A230-S234 PolarHBondContact O-N 3.45Å; A230-S234 PolarHBondContact O-OG 2.9Å; C231-S234 PolarHBondContact O-OG 3.49Å; C231-S234 VanDerWaalsContact O-OG 3.14Å; R232-S234 PolarHBondContact O-N 2.93Å; S234-T238 PolarHBondContact O-N 3.11Å; S234-T238 VanDerWaalsContact O-N 3.1Å |
| 235 | F | 62.9 | Low | 60.1 | Low | 129 Ų | 129 | 94.9 Ų | 94.9 | 57% | 0.566 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.3 | -49.6 | 176.8 | -171.3 | -89.1 | 0 | 0 | 0 | 111.4 | R232 K237 T238 E239 | R232-F235 PolarHBondContact O-N 2.77Å; F235-K237 PolarHBondContact O-N 3.06Å; F235-T238 WeakPolarHBondContact CA-OG1 3.28Å; F235-T238 WeakPolarHBondContact O-CA 3.2Å; F235-T238 PolarHBondContact O-N 3.22Å; F235-T238 PolarHBondContact O-OG1 3.01Å; F235-E239 PolarHBondContact O-N 3.29Å |
| 236 | D | 72 | Confident | 62.3 | Low | 73 Ų | 73 | 92.5 Ų | 92.5 | 39% | 0.39 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -56.7 | -35 | 177.5 | -59 | -25.5 | 0 | 0 | 0 | 110.7 | R232 S240 | R232-D236 PolarHBondContact O-N 3.27Å; D236-S240 VanDerWaalsContact O-CB 3.23Å; D236-S240 WeakPolarHBondContact O-CB 3.44Å; D236-S240 PolarHBondContact O-N 3.04Å; D236-S240 PolarHBondContact O-OG 3.31Å |
| 237 | K | 74.5 | Confident | 64.6 | Low | 126 Ų | 126 | 90.7 Ų | 90.7 | 55% | 0.548 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.9 | -30.1 | 174.2 | -170.2 | 172.4 | -174.6 | 176 | 0 | 113.8 | R168 E233 F235 S241 | R168-K237 PolarHBondContact NH2-O 3.3Å; E233-K237 WeakPolarHBondContact O-CB 3.32Å; E233-K237 PolarHBondContact O-N 3.48Å; E233-K237 VanDerWaalsContact O-N 3.07Å; F235-K237 PolarHBondContact O-N 3.06Å; K237-S241 PolarHBondContact O-N 2.96Å; K237-S241 PolarHBondContact O-OG 2.92Å |
| 238 | T | 70.4 | Confident | 66.7 | Low | 60 Ų | 60 | 85.1 Ų | 85.1 | 37% | 0.368 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -73.8 | -43.7 | 172 | 51.2 | 0 | 0 | 0 | 0 | 112.7 | S234 F235 S240 S241 L242 | S234-T238 PolarHBondContact O-N 3.11Å; S234-T238 VanDerWaalsContact O-N 3.1Å; F235-T238 WeakPolarHBondContact CA-OG1 3.28Å; F235-T238 WeakPolarHBondContact O-CA 3.2Å; F235-T238 PolarHBondContact O-N 3.22Å; F235-T238 PolarHBondContact O-OG1 3.01Å; T238-S240 VanDerWaalsContact C-N 3.34Å; T238-S240 PolarHBondContact O-N 3.24Å; T238-S241 WeakPolarHBondContact O-CA 3.37Å; T238-S241 VanDerWaalsContact O-CB 3.29Å; T238-S241 WeakPolarHBondContact O-CB 3.4Å; T238-S241 PolarHBondContact O-N 3.28Å; T238-L242 PolarHBondContact O-N 3.1Å; T238-L242 VanDerWaalsContact O-N 3.1Å |
| 239 | E | 73.6 | Confident | 68.7 | Low | 99 Ų | 99 | 84.8 Ų | 84.8 | 46% | 0.463 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 174 | -171.6 | 179.5 | 153.7 | 0 | 0 | 110.6 | F235 S241 L242 N243 | F235-E239 PolarHBondContact O-N 3.29Å; E239-S241 PolarHBondContact O-N 2.94Å; E239-L242 PolarHBondContact O-N 3.39Å; E239-L242 VanDerWaalsContact O-N 3.15Å; E239-N243 PolarHBondContact O-N 2.68Å |
| 240 | S | 74.5 | Confident | 70.3 | Confident | 66 Ų | 66 | 86 Ų | 86 | 46% | 0.462 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.7 | -10.3 | 172.4 | -58.4 | 0 | 0 | 0 | 0 | 114.6 | R168 D236 T238 | R168-S240 PolarHBondContact NH2-O 2.84Å; D236-S240 VanDerWaalsContact O-CB 3.23Å; D236-S240 WeakPolarHBondContact O-CB 3.44Å; D236-S240 PolarHBondContact O-N 3.04Å; D236-S240 PolarHBondContact O-OG 3.31Å; T238-S240 VanDerWaalsContact C-N 3.34Å; T238-S240 PolarHBondContact O-N 3.24Å |
| 241 | S | 71.5 | Confident | 71.7 | Confident | 20 Ų | 20 | 86.1 Ų | 86.1 | 14% | 0.14 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -92 | -41.7 | 173.7 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | R168 K237 T238 E239 S244 L245 | R168-S241 VanDerWaalsContact CZ-OG 3.29Å; R168-S241 PolarHBondContact NE-OG 2.88Å; R168-S241 PolarHBondContact NH2-OG 3.14Å; K237-S241 PolarHBondContact O-N 2.96Å; K237-S241 PolarHBondContact O-OG 2.92Å; T238-S241 WeakPolarHBondContact O-CA 3.37Å; T238-S241 VanDerWaalsContact O-CB 3.29Å; T238-S241 WeakPolarHBondContact O-CB 3.4Å; T238-S241 PolarHBondContact O-N 3.28Å; E239-S241 PolarHBondContact O-N 2.94Å; S241-S244 WeakPolarHBondContact O-CB 3.44Å; S241-S244 PolarHBondContact O-N 3.11Å; S241-L245 PolarHBondContact O-N 3.24Å |
| 242 | L | 76.4 | Confident | 73.1 | Confident | 118 Ų | 118 | 81.8 Ų | 81.8 | 62% | 0.618 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.4 | -47.8 | 174.9 | -65.2 | 175.1 | 0 | 0 | 0 | 111.2 | T238 E239 S244 L245 E246 | T238-L242 PolarHBondContact O-N 3.1Å; T238-L242 VanDerWaalsContact O-N 3.1Å; E239-L242 PolarHBondContact O-N 3.39Å; E239-L242 VanDerWaalsContact O-N 3.15Å; L242-S244 PolarHBondContact O-N 3.09Å; L242-L245 PolarHBondContact O-N 3.08Å; L242-E246 PolarHBondContact O-N 3.49Å |
| 243 | N | 79.3 | Confident | 74.3 | Confident | 75 Ų | 75 | 75.3 Ų | 75.3 | 40% | 0.401 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.1 | -34.2 | 176.5 | -63.5 | -15.4 | 0 | 0 | 0 | 111.7 | E239 N247 | E239-N243 PolarHBondContact O-N 2.68Å; N243-N247 WeakPolarHBondContact O-CB 3.25Å; N243-N247 PolarHBondContact O-N 3.46Å; N243-N247 VanDerWaalsContact O-N 3.13Å; N243-N247 PolarHBondContact O-ND2 3.08Å; N243-N247 VanDerWaalsContact O-ND2 3.14Å |
| 244 | S | 78.7 | Confident | 75.3 | Confident | 37 Ų | 37 | 74.6 Ų | 74.6 | 26% | 0.259 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -71.2 | -33.6 | 175.8 | -166.2 | 0 | 0 | 0 | 0 | 112.9 | S241 L242 F248 | S241-S244 WeakPolarHBondContact O-CB 3.44Å; S241-S244 PolarHBondContact O-N 3.11Å; L242-S244 PolarHBondContact O-N 3.09Å; S244-F248 WeakPolarHBondContact O-CB 3.2Å; S244-F248 PolarHBondContact O-N 3.14Å; S244-F248 VanDerWaalsContact O-N 3.16Å |
| 245 | L | 77.6 | Confident | 75.7 | Confident | 77 Ų | 77 | 73.3 Ų | 73.3 | 40% | 0.403 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -74.1 | -41.3 | 176.6 | -179.8 | 62.8 | 0 | 0 | 0 | 111.5 | L165 S241 L242 F248 L249 | L165-L245 HydrophobicContact CD1-CD1 4.24Å; S241-L245 PolarHBondContact O-N 3.24Å; L242-L245 PolarHBondContact O-N 3.08Å; L245-F248 HydrophobicContact CD1-CD1 4.34Å; L245-F248 PolarHBondContact O-N 3.45Å; L245-L249 HydrophobicContact CD1-CD1 4.43Å; L245-L249 HydrophobicContact CD1-CG 4.38Å; L245-L249 HydrophobicContact CG-CD1 4.17Å; L245-L249 WeakPolarHBondContact O-CG 3.49Å; L245-L249 PolarHBondContact O-N 3.03Å |
| 246 | E | 79.4 | Confident | 75.9 | Confident | 117 Ų | 117 | 74.2 Ų | 74.2 | 55% | 0.547 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 174.3 | -166.2 | -153.9 | 129.7 | 0 | 0 | 111.1 | L242 F248 L249 R250 | L242-E246 PolarHBondContact O-N 3.49Å; E246-F248 VanDerWaalsContact C-N 3.32Å; E246-F248 PolarHBondContact O-N 2.92Å; E246-L249 PolarHBondContact O-N 2.97Å; E246-R250 WeakPolarHBondContact O-CB 3.15Å; E246-R250 PolarHBondContact O-N 3.13Å; E246-R250 IonicContact OE1-NH1 2.7Å; E246-R250 PolarHBondContact OE1-NH1 3.4Å |
| 247 | N | 83.1 | Confident | 75.5 | Confident | 77 Ų | 77 | 76.4 Ų | 76.4 | 41% | 0.412 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.7 | -42.8 | 175.4 | -71 | -19.2 | 0 | 0 | 0 | 112.1 | N243 R250 E251 | N243-N247 WeakPolarHBondContact O-CB 3.25Å; N243-N247 PolarHBondContact O-N 3.46Å; N243-N247 VanDerWaalsContact O-N 3.13Å; N243-N247 PolarHBondContact O-ND2 3.08Å; N243-N247 VanDerWaalsContact O-ND2 3.14Å; N247-R250 PolarHBondContact O-N 3.26Å; N247-R250 PolarHBondContact OD1-NH1 3.15Å; N247-R250 PolarHBondContact OD1-NH2 2.98Å; N247-E251 WeakPolarHBondContact O-CB 3.41Å; N247-E251 PolarHBondContact O-N 3Å |
| 248 | F | 82.4 | Confident | 74.5 | Confident | 25 Ų | 25 | 73.9 Ų | 73.9 | 11% | 0.11 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 175.7 | 169.2 | -100.1 | 0 | 0 | 0 | 112.6 | L158 K161 L162 L165 S244 L245 E246 R250 E251 A252 | L158-F248 HydrophobicContact CB-CE2 4.19Å; L158-F248 HydrophobicContact CD2-CD2 4.04Å; L158-F248 HydrophobicContact CD2-CE2 3.72Å; L158-F248 WeakPolarHBondContact O-CE2 3.4Å; K161-F248 HydrophobicContact CB-CD2 3.85Å; K161-F248 HydrophobicContact CB-CE2 3.95Å; L162-F248 HydrophobicContact CB-CE2 4.34Å; L162-F248 HydrophobicContact CB-CZ 3.92Å; L162-F248 HydrophobicContact CD1-CE1 4.01Å; L162-F248 HydrophobicContact CD1-CZ 4.06Å; L162-F248 HydrophobicContact CG-CZ 4.48Å; L165-F248 HydrophobicContact CD1-CB 3.75Å; L165-F248 HydrophobicContact CD1-CD1 4Å; L165-F248 HydrophobicContact CD1-CD2 4.29Å; L165-F248 HydrophobicContact CD1-CG 3.73Å; S244-F248 WeakPolarHBondContact O-CB 3.2Å; S244-F248 PolarHBondContact O-N 3.14Å; S244-F248 VanDerWaalsContact O-N 3.16Å; L245-F248 HydrophobicContact CD1-CD1 4.34Å; L245-F248 PolarHBondContact O-N 3.45Å; E246-F248 VanDerWaalsContact C-N 3.32Å; E246-F248 PolarHBondContact O-N 2.92Å; F248-R250 VanDerWaalsContact C-N 3.3Å; F248-R250 PolarHBondContact O-N 2.93Å; F248-E251 PolarHBondContact O-N 2.86Å; F248-A252 WeakPolarHBondContact O-CB 3.37Å; F248-A252 PolarHBondContact O-N 3.19Å |
| 249 | L | 78 | Confident | 73.3 | Confident | 105 Ų | 105 | 76 Ų | 76 | 55% | 0.55 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.1 | -37.5 | 178.6 | -71.1 | 171.8 | 0 | 0 | 0 | 111.8 | L245 E246 S253 | L245-L249 HydrophobicContact CD1-CD1 4.43Å; L245-L249 HydrophobicContact CD1-CG 4.38Å; L245-L249 HydrophobicContact CG-CD1 4.17Å; L245-L249 WeakPolarHBondContact O-CG 3.49Å; L245-L249 PolarHBondContact O-N 3.03Å; E246-L249 PolarHBondContact O-N 2.97Å; L249-S253 WeakPolarHBondContact O-CB 3.21Å; L249-S253 PolarHBondContact O-N 3.49Å |
| 250 | R | 81.2 | Confident | 72.2 | Confident | 108 Ų | 108 | 79.8 Ų | 79.8 | 41% | 0.408 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.5 | -50.5 | 173.2 | -171 | 169.3 | 64.8 | -106.7 | -4.8 | 111.5 | E246 N247 F248 A252 S253 E254 | E246-R250 WeakPolarHBondContact O-CB 3.15Å; E246-R250 PolarHBondContact O-N 3.13Å; E246-R250 IonicContact OE1-NH1 2.7Å; E246-R250 PolarHBondContact OE1-NH1 3.4Å; N247-R250 PolarHBondContact O-N 3.26Å; N247-R250 PolarHBondContact OD1-NH1 3.15Å; N247-R250 PolarHBondContact OD1-NH2 2.98Å; F248-R250 VanDerWaalsContact C-N 3.3Å; F248-R250 PolarHBondContact O-N 2.93Å; R250-A252 VanDerWaalsContact C-N 3.3Å; R250-A252 PolarHBondContact O-N 3.38Å; R250-S253 PolarHBondContact O-N 3.36Å; R250-S253 VanDerWaalsContact O-N 3.09Å; R250-S253 PolarHBondContact O-OG 3.06Å; R250-E254 WeakPolarHBondContact O-CG 3.32Å; R250-E254 PolarHBondContact O-N 3.2Å |
| 251 | E | 79 | Confident | 70.5 | Confident | 51 Ų | 51 | 80.2 Ų | 80.2 | 24% | 0.238 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -59.9 | -38.3 | 177.7 | -167 | -169.4 | 151.6 | 0 | 0 | 112.6 | R154 L158 K161 N247 F248 E254 A255 | R154-E251 PolarHBondContact NH2-O 2.54Å; R154-E251 VanDerWaalsContact NH2-O 3.13Å; L158-E251 HydrophobicContact CD2-CB 4.4Å; L158-E251 HydrophobicContact CD2-CG 4.25Å; K161-E251 IonicContact NZ-OE1 3.28Å; K161-E251 PolarHBondContact NZ-OE1 2.99Å; K161-E251 IonicContact NZ-OE2 3.43Å; K161-E251 PolarHBondContact NZ-OE2 2.88Å; N247-E251 WeakPolarHBondContact O-CB 3.41Å; N247-E251 PolarHBondContact O-N 3Å; F248-E251 PolarHBondContact O-N 2.86Å; E251-E254 PolarHBondContact O-N 3.04Å; E251-A255 PolarHBondContact O-N 3.2Å |
| 252 | A | 75.3 | Confident | 68.8 | Low | 14 Ų | 14 | 87.4 Ų | 87.4 | 12% | 0.116 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -65 | -44.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L158 F248 R250 E254 A255 F256 | L158-A252 HydrophobicContact CD1-CB 4.21Å; L158-A252 HydrophobicContact CD2-CB 4.17Å; F248-A252 WeakPolarHBondContact O-CB 3.37Å; F248-A252 PolarHBondContact O-N 3.19Å; R250-A252 VanDerWaalsContact C-N 3.3Å; R250-A252 PolarHBondContact O-N 3.38Å; A252-E254 VanDerWaalsContact C-N 3.27Å; A252-E254 PolarHBondContact O-N 3.13Å; A252-A255 WeakPolarHBondContact O-CA 3.44Å; A252-A255 WeakPolarHBondContact O-CB 3.41Å; A252-A255 PolarHBondContact O-N 3.19Å; A252-F256 WeakPolarHBondContact O-CD2 3.14Å; A252-F256 PolarHBondContact O-N 3.49Å |
| 253 | S | 75.4 | Confident | 66.8 | Low | 52 Ų | 52 | 84.8 Ų | 84.8 | 36% | 0.364 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.6 | -34.8 | 175.8 | 79 | 0 | 0 | 0 | 0 | 112.4 | L249 R250 A255 N257 | L249-S253 WeakPolarHBondContact O-CB 3.21Å; L249-S253 PolarHBondContact O-N 3.49Å; R250-S253 PolarHBondContact O-N 3.36Å; R250-S253 VanDerWaalsContact O-N 3.09Å; R250-S253 PolarHBondContact O-OG 3.06Å; S253-A255 VanDerWaalsContact C-N 3.33Å; S253-N257 VanDerWaalsContact O-CB 3.27Å; S253-N257 WeakPolarHBondContact O-CB 2.97Å; S253-N257 PolarHBondContact O-N 2.91Å; S253-N257 PolarHBondContact O-ND2 3.46Å |
| 254 | E | 77.2 | Confident | 64.9 | Low | 102 Ų | 102 | 89.2 Ų | 89.2 | 48% | 0.477 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -73.4 | -20.3 | 173 | -70 | 171 | -159.8 | 0 | 0 | 113.5 | R154 R250 E251 A252 | R154-E254 PolarHBondContact NH1-O 3.29Å; R154-E254 VanDerWaalsContact NH2-CB 3.31Å; R154-E254 IonicContact NH2-OE2 2.91Å; R250-E254 WeakPolarHBondContact O-CG 3.32Å; R250-E254 PolarHBondContact O-N 3.2Å; E251-E254 PolarHBondContact O-N 3.04Å; A252-E254 VanDerWaalsContact C-N 3.27Å; A252-E254 PolarHBondContact O-N 3.13Å |
| 255 | A | 68.5 | Low | 62.9 | Low | 8 Ų | 8 | 93.5 Ų | 93.5 | 7% | 0.066 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -81.4 | -40.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R154 L158 E251 A252 S253 I258 | R154-A255 HydrophobicContact CG-CB 4.17Å; L158-A255 HydrophobicContact CD1-CB 3.57Å; E251-A255 PolarHBondContact O-N 3.2Å; A252-A255 WeakPolarHBondContact O-CA 3.44Å; A252-A255 WeakPolarHBondContact O-CB 3.41Å; A252-A255 PolarHBondContact O-N 3.19Å; S253-A255 VanDerWaalsContact C-N 3.33Å; A255-I258 WeakPolarHBondContact O-CD1 3.49Å; A255-I258 VanDerWaalsContact O-CG1 3.29Å; A255-I258 WeakPolarHBondContact O-CG1 3.16Å; A255-I258 PolarHBondContact O-N 2.81Å |
| 256 | F | 66.7 | Low | 61 | Low | 148 Ų | 148 | 93 Ų | 93 | 65% | 0.649 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -73.2 | -27.3 | 174.2 | -70.2 | -66.8 | 0 | 0 | 0 | 113 | M155 A252 I258 | M155-F256 HydrophobicContact CE-CE1 4.27Å; M155-F256 HydrophobicContact CE-CZ 3.97Å; M155-F256 HydrophobicContact SD-CE1 4.1Å; M155-F256 HydrophobicContact SD-CZ 4.03Å; A252-F256 WeakPolarHBondContact O-CD2 3.14Å; A252-F256 PolarHBondContact O-N 3.49Å; F256-I258 PolarHBondContact O-N 3Å |
| 257 | N | 62.9 | Low | 59.1 | Low | 119 Ų | 119 | 93.6 Ų | 93.6 | 64% | 0.636 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 18 | 172.6 | -77.9 | -58.6 | 0 | 0 | 0 | 114.5 | S253 S259 | S253-N257 VanDerWaalsContact O-CB 3.27Å; S253-N257 WeakPolarHBondContact O-CB 2.97Å; S253-N257 PolarHBondContact O-N 2.91Å; S253-N257 PolarHBondContact O-ND2 3.46Å; N257-S259 PolarHBondContact O-N 3.1Å |
| 258 | I | 54 | Low | 57 | Low | 74 Ų | 74 | 94.9 Ų | 94.9 | 38% | 0.379 | 56% | 0.558 | S | S | . | * | trans | -71.1 | 84.3 | 165.7 | -60.7 | 172.4 | 0 | 0 | 0 | 108.1 | A255 F256 Y260 | A255-I258 WeakPolarHBondContact O-CD1 3.49Å; A255-I258 VanDerWaalsContact O-CG1 3.29Å; A255-I258 WeakPolarHBondContact O-CG1 3.16Å; A255-I258 PolarHBondContact O-N 2.81Å; F256-I258 PolarHBondContact O-N 3Å; I258-Y260 PolarHBondContact O-N 3.33Å | ||
| 259 | S | 45.9 | Very low | 54.8 | Low | 104 Ų | 104 | 99 Ų | 99 | 73% | 0.727 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -61 | 125.4 | -178.3 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | N257 | N257-S259 PolarHBondContact O-N 3.1Š|
| 260 | Y | 50.5 | Low | 52.9 | Low | 179 Ų | 179 | 97.7 Ų | 97.7 | 70% | 0.702 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 148.4 | 157 | -70 | -97.8 | 0 | 0 | 0 | 108.4 | I258 | I258-Y260 PolarHBondContact O-N 3.33Š|
| 261 | G | 38 | Very low | 50.8 | Low | 75 Ų | 75 | 98.9 Ų | 98.9 | 77% | 0.773 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -64.5 | 143.2 | -162.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 262 | D | 36.7 | Very low | 49 | Very low | 171 Ų | 171 | 101.9 Ų | 101.9 | 91% | 0.914 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 70 | 137.8 | 170.2 | -155.1 | 16.3 | 0 | 0 | 0 | 117.4 | ||
| 263 | G | 34.3 | Very low | 47.1 | Very low | 63 Ų | 63 | 108.4 Ų | 108.4 | 65% | 0.649 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 108.4 | 74.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 264 | L | 38.3 | Very low | 45.4 | Very low | 167 Ų | 167 | 111.3 Ų | 111.3 | 87% | 0.874 | 68% | 0.681 | S | S | * | * | trans | 59.1 | 119.3 | 151.3 | -140 | 77.8 | 0 | 0 | 0 | 119.8 | G266 | L264-G266 PolarHBondContact O-N 3.35Å; L264-G266 VanDerWaalsContact O-N 3.14Å | ||
| 265 | P | 37.5 | Very low | 43.6 | Very low | 128 Ų | 128 | 114 Ų | 114 | 83% | 0.831 | 69% | 0.694 | S | S | * | * | trans | -76.2 | 104 | 174.9 | 31 | -33.5 | 0 | 0 | 0 | 112.3 | ||||
| 266 | G | 37.6 | Very low | 42.3 | Very low | 65 Ų | 65 | 122 Ų | 122 | 67% | 0.67 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 146.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112 | L264 | L264-G266 PolarHBondContact O-N 3.35Å; L264-G266 VanDerWaalsContact O-N 3.14Å |
| 267 | P | 39 | Very low | 41 | Very low | 130 Ų | 130 | 123 Ų | 123 | 84% | 0.844 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -70 | 134.6 | -174.7 | 28 | -34.4 | 0 | 0 | 0 | 112.5 | S269 | P267-S269 PolarHBondContact O-N 3.39Š|
| 268 | S | 39 | Very low | 39.6 | Very low | 105 Ų | 105 | 123.1 Ų | 123.1 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 125.5 | 179 | -174.5 | 0 | 0 | 0 | 0 | 112 | A270 | S268-A270 PolarHBondContact O-N 3.32Å; S268-A270 VanDerWaalsContact O-N 3.11Å |
| 269 | S | 36.3 | Very low | 39.2 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -78.1 | 92.4 | 174 | -169.7 | 0 | 0 | 0 | 0 | 110.1 | P267 V271 | P267-S269 PolarHBondContact O-N 3.39Å; S269-V271 PolarHBondContact O-N 2.95Å | ||
| 270 | A | 38.7 | Very low | 38.9 | Very low | 77 Ų | 77 | 123.7 Ų | 123.7 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | -71.8 | 116.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | S268 V272 | S268-A270 PolarHBondContact O-N 3.32Å; S268-A270 VanDerWaalsContact O-N 3.11Å; A270-V272 PolarHBondContact O-N 3.45Å | ||
| 271 | V | 37 | Very low | 38.3 | Very low | 132 Ų | 132 | 124.3 Ų | 124.3 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | -71.4 | 96.4 | 172.3 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | S269 I273 | S269-V271 PolarHBondContact O-N 2.95Å; V271-I273 PolarHBondContact O-N 3.29Å | ||
| 272 | V | 40 | Very low | 38.8 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 70% | 0.697 | 79% | 0.787 | S | S | * | * | trans | -77.9 | 113.5 | 172 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | A270 T274 | A270-V272 PolarHBondContact O-N 3.45Å; V272-T274 PolarHBondContact O-N 2.88Å | ||
| 273 | I | 36.7 | Very low | 39 | Very low | 151 Ų | 151 | 126.5 Ų | 126.5 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | trans | -79.8 | 98.6 | 169.1 | -58.4 | 178.3 | 0 | 0 | 0 | 107.6 | V271 E275 | V271-I273 PolarHBondContact O-N 3.29Å; I273-E275 PolarHBondContact O-N 2.87Å | ||
| 274 | T | 38.2 | Very low | 39.6 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | trans | -71.6 | 121 | 177 | -50.5 | 0 | 0 | 0 | 0 | 110.5 | V272 L276 | V272-T274 PolarHBondContact O-N 2.88Å; T274-L276 PolarHBondContact O-N 3.2Å | ||
| 275 | E | 40.2 | Very low | 39.9 | Very low | 159 Ų | 159 | 129.3 Ų | 129.3 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | -66.5 | 123.7 | 177.1 | -65.6 | -166.6 | 126.1 | 0 | 0 | 111.9 | I273 H277 | I273-E275 PolarHBondContact O-N 2.87Å; E275-H277 PolarHBondContact O-N 3.01Å; E275-H277 VanDerWaalsContact O-N 3.12Å | ||
| 276 | L | 40.4 | Very low | 40.1 | Very low | 175 Ų | 175 | 129.4 Ų | 129.4 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | -81.2 | 87.4 | 176.4 | -73.2 | 172 | 0 | 0 | 0 | 110.9 | T274 S278 | T274-L276 PolarHBondContact O-N 3.2Å; L276-S278 PolarHBondContact O-N 2.94Å; L276-S278 VanDerWaalsContact O-N 3.09Å | ||
| 277 | H | 40.5 | Very low | 40.5 | Very low | 169 Ų | 169 | 132 Ų | 132 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | trans | -66.5 | 105.4 | 167.4 | -88.2 | -92.3 | 0 | 0 | 0 | 111.1 | E275 | E275-H277 PolarHBondContact O-N 3.01Å; E275-H277 VanDerWaalsContact O-N 3.12Å | ||
| 278 | S | 33.1 | Very low | 40.6 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -83 | 125.6 | 170.7 | -173.3 | 0 | 0 | 0 | 0 | 110.9 | L276 | L276-S278 PolarHBondContact O-N 2.94Å; L276-S278 VanDerWaalsContact O-N 3.09Å | ||
| 279 | S | 45.2 | Very low | 41.1 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -141.5 | 117 | 169 | 59.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 280 | G | 39.6 | Very low | 41.3 | Very low | 73 Ų | 73 | 133.8 Ų | 133.8 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -102 | 176 | -171 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 281 | E | 38.2 | Very low | 41.5 | Very low | 192 Ų | 192 | 134.8 Ų | 134.8 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | 71.4 | 97.3 | 148.9 | -154.7 | 165.3 | 117.2 | 0 | 0 | 119 | ||||
| 282 | S | 47.9 | Very low | 41.8 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -175 | 112.4 | 133 | -80.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 283 | D | 42.4 | Very low | 41.9 | Very low | 168 Ų | 168 | 140.5 Ų | 140.5 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | trans | -12.1 | 167.4 | 170.9 | -107.1 | 11.9 | 0 | 0 | 0 | 124.2 | ||||
| 284 | P | 46.2 | Very low | 42.2 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 60% | 0.597 | 80% | 0.795 | S | S | * | * | trans | -106 | 169.1 | -154.7 | 41.5 | -38.4 | 0 | 0 | 0 | 116.1 | ||||
| 285 | H | 44.3 | Very low | 42.3 | Very low | 197 Ų | 197 | 140.1 Ų | 140.1 | 91% | 0.912 | 79% | 0.793 | S | S | * | * | trans | -161.1 | 134.6 | 138.8 | -94 | -59.3 | 0 | 0 | 0 | 112.6 | ||||
| 286 | V | 42.4 | Very low | 42.3 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -106.8 | 134.3 | 177.9 | 168.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 287 | P | 44.9 | Very low | 42.4 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | -148.7 | 179.6 | 86.7 | 27.3 | -3.1 | 0 | 0 | 0 | 115.1 | |||||
| 288 | S | 40.8 | Very low | 42.5 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | cis | -166.8 | 171 | -25.8 | 61.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 289 | P | 50.6 | Low | 42.8 | Very low | 126 Ų | 126 | 130 Ų | 130 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -100.7 | 173.4 | -164.5 | 38.4 | -36.5 | 0 | 0 | 0 | 117.7 | ||||
| 290 | V | 40.8 | Very low | 42.7 | Very low | 152 Ų | 152 | 129.5 Ų | 129.5 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -114.4 | 141.6 | 171.3 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 291 | S | 42.3 | Very low | 42.9 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | -112.2 | 163.3 | -165 | 27.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 292 | R | 43.3 | Very low | 43.1 | Very low | 232 Ų | 232 | 127.5 Ų | 127.5 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | trans | -157.1 | 110 | 143.8 | -158.6 | 152.5 | -68.6 | -168.5 | -1 | 114.3 | ||||
| 293 | M | 42.9 | Very low | 42.8 | Very low | 134 Ų | 134 | 126.1 Ų | 126.1 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | 31 | 149.8 | 128.7 | -52.1 | -23.1 | -157.9 | 0 | 0 | 120.8 | |||||
| 294 | H | 41.1 | Very low | 42.6 | Very low | 150 Ų | 150 | 126.3 Ų | 126.3 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | cis | -179.6 | 169.7 | 0.5 | -98.9 | -11.1 | 0 | 0 | 0 | 107.1 | ||||
| 295 | T | 40.6 | Very low | 42.3 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 64% | 0.644 | 79% | 0.789 | S | S | * | * | cis | -171.5 | 150.2 | -11.3 | 28.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 296 | S | 41.4 | Very low | 42 | Very low | 121 Ų | 121 | 122.8 Ų | 122.8 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | 69.2 | 158.9 | 157.4 | -49.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 297 | S | 42.5 | Very low | 42 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | cis | -153.4 | 125.8 | -1.4 | -169.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 298 | A | 41.4 | Very low | 41.7 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | 94.8 | 121.9 | 53.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 299 | G | 40.2 | Very low | 41.8 | Very low | 79 Ų | 79 | 130.8 Ų | 130.8 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | trans | 116.5 | 145.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 300 | A | 43.6 | Very low | 41.4 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 88% | 0.876 | 78% | 0.78 | S | S | * | * | cis | -166.4 | 138 | -18.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 301 | G | 43 | Very low | 41.2 | Very low | 67 Ų | 67 | 131.7 Ų | 131.7 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | 75.4 | 162.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 302 | D | 41.5 | Very low | 41.2 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | cis | -168.1 | 172 | -25.3 | -128.3 | -47.4 | 0 | 0 | 0 | 113.9 | ||||
| 303 | S | 42.5 | Very low | 40.8 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | trans | 71.3 | 85.1 | 157.5 | -62.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 304 | L | 38.6 | Very low | 41 | Very low | 172 Ų | 172 | 127.4 Ų | 127.4 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | 40.8 | 119.5 | 113.1 | -58.3 | 171.3 | 0 | 0 | 0 | 122.7 | |||||
| 305 | S | 40.1 | Very low | 40.7 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | 164.8 | 110.5 | 120.2 | -163.6 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 306 | S | 37.4 | Very low | 40.8 | Very low | 103 Ų | 103 | 126 Ų | 126 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | 56.2 | 109.9 | 68.9 | -167.8 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 307 | R | 41.9 | Very low | 40.7 | Very low | 245 Ų | 245 | 128.9 Ų | 128.9 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | -169.8 | 146.7 | 120.9 | -171.6 | 166.1 | 176 | 111.8 | 2.6 | 112.7 | |||||
| 308 | D | 38.8 | Very low | 40.5 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 68% | 0.679 | 80% | 0.804 | S | S | * | * | trans | -78.9 | 158.8 | -168.5 | -65.1 | -88.4 | 0 | 0 | 0 | 120.8 | ||||
| 309 | L | 43.2 | Very low | 40.8 | Very low | 153 Ų | 153 | 130 Ų | 130 | 80% | 0.801 | 80% | 0.803 | S | S | * | * | trans | 85.8 | 157.7 | 131.6 | -85.2 | 166.5 | 0 | 0 | 0 | 123.9 | ||||
| 310 | T | 42.5 | Very low | 40.8 | Very low | 119 Ų | 119 | 138 Ų | 138 | 73% | 0.73 | 81% | 0.809 | S | S | * | * | trans | 68.9 | 122.8 | 179.3 | 61.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 311 | E | 36.8 | Very low | 40.3 | Very low | 177 Ų | 177 | 141.1 Ų | 141.1 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | cis | 87.1 | 105.7 | 39.3 | -172.2 | -174.9 | -177.4 | 0 | 0 | 113.9 | ||||
| 312 | S | 42.3 | Very low | 40 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -175.4 | 130.7 | 135.3 | -83.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 313 | T | 35.5 | Very low | 39.7 | Very low | 138 Ų | 138 | 143.1 Ų | 143.1 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | trans | -89.1 | 139.7 | 173.4 | -49.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 314 | S | 46.7 | Very low | 39.2 | Very low | 114 Ų | 114 | 146 Ų | 146 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | -159.2 | 148.2 | 147.3 | 58.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 315 | C | 33.6 | Very low | 39 | Very low | 131 Ų | 131 | 146.9 Ų | 146.9 | 89% | 0.885 | 82% | 0.817 | S | S | * | * | trans | -132.8 | 133.3 | 170.3 | -62.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 316 | A | 42.5 | Very low | 38.7 | Very low | 96 Ų | 96 | 147.4 Ų | 147.4 | 79% | 0.793 | 82% | 0.818 | S | S | * | * | trans | -162.2 | 151.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 317 | E | 40.3 | Very low | 38.3 | Very low | 180 Ų | 180 | 147.9 Ų | 147.9 | 84% | 0.841 | 82% | 0.82 | S | S | * | * | cis | -158.7 | 147.1 | -20.9 | -179.1 | 173.3 | 159.9 | 0 | 0 | 106.4 | ||||
| 318 | S | 37.7 | Very low | 37.9 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -100.3 | 124.6 | -177.4 | -67.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 319 | P | 47.7 | Very low | 37.5 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | trans | -67.9 | 169.9 | 170 | -20.1 | 34 | 0 | 0 | 0 | 113.5 | ||||
| 320 | R | 40.3 | Very low | 37.2 | Very low | 245 Ų | 245 | 141.7 Ų | 141.7 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | -107.6 | 157.8 | -162.9 | -59.7 | -178.3 | -178.6 | -169 | -0.1 | 115 | ||||
| 321 | L | 32.4 | Very low | 36.7 | Very low | 173 Ų | 173 | 146.5 Ų | 146.5 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | trans | -61.5 | 145 | 168 | -90.1 | 159.7 | 0 | 0 | 0 | 114.1 | ||||
| 322 | A | 36.9 | Very low | 36.7 | Very low | 89 Ų | 89 | 145.1 Ų | 145.1 | 74% | 0.736 | 83% | 0.829 | S | S | * | * | trans | -138.2 | 115 | 155.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 323 | Q | 35.9 | Very low | 36.3 | Very low | 176 Ų | 176 | 147.7 Ų | 147.7 | 82% | 0.822 | 83% | 0.825 | S | S | * | * | 75 | 80.4 | 79.6 | -73.7 | -163.9 | -11.8 | 0 | 0 | 115.9 | |||||
| 324 | I | 32.7 | Very low | 36.4 | Very low | 155 Ų | 155 | 148 Ų | 148 | 80% | 0.795 | 83% | 0.826 | S | S | * | * | 44.6 | 110 | 129 | -52.2 | 162.9 | 0 | 0 | 0 | 118.3 | |||||
| 325 | Q | 34.4 | Very low | 36.1 | Very low | 192 Ų | 192 | 147.4 Ų | 147.4 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | -158.7 | 138.3 | 127.8 | -73.6 | -153.9 | 10.1 | 0 | 0 | 110.9 | |||||
| 326 | P | 33.4 | Very low | 36.3 | Very low | 122 Ų | 122 | 148 Ų | 148 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -130.2 | 148.3 | 158.9 | 37.4 | -25.3 | 0 | 0 | 0 | 113.2 | ||||
| 327 | C | 27.9 | Very low | 36.5 | Very low | 113 Ų | 113 | 150.3 Ų | 150.3 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | trans | -158 | 139.1 | 173.2 | -150.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 328 | T | 35 | Very low | 37.3 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | trans | 54.1 | 81.8 | 159.7 | 50.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 329 | D | 29.6 | Very low | 38.7 | Very low | 149 Ų | 149 | 147 Ų | 147 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | 21.3 | 127.2 | 110.8 | -174 | 11.8 | 0 | 0 | 0 | 119.3 | |||||
| 330 | S | 37.3 | Very low | 38.5 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -149.3 | 143 | 145.4 | 71.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 331 | R | 31.3 | Very low | 38.8 | Very low | 220 Ų | 220 | 145.4 Ų | 145.4 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | trans | -118.6 | 127.9 | -159 | 177 | -167.9 | -170.7 | 179.5 | 9.1 | 113.5 | ||||
| 332 | T | 36.3 | Very low | 39.3 | Very low | 148 Ų | 148 | 146.3 Ų | 146.3 | 91% | 0.908 | 78% | 0.78 | S | S | * | * | trans | -135.6 | 156.3 | 162.7 | -54.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 333 | K | 35.2 | Very low | 39.8 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | -136.2 | 130.5 | -160.2 | 175.9 | -171.1 | 177.9 | -174.3 | 0 | 111.9 | ||||
| 334 | V | 36.6 | Very low | 40.2 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 87% | 0.873 | 78% | 0.782 | S | S | * | * | trans | -133.1 | 151.3 | 169.5 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 335 | S | 40.2 | Very low | 40.5 | Very low | 101 Ų | 101 | 143 Ų | 143 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -89 | 143 | -165.9 | -54.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 336 | E | 38.7 | Very low | 40.9 | Very low | 145 Ų | 145 | 140 Ų | 140 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -77.6 | 144 | 168.8 | -171.2 | 164.4 | -133.3 | 0 | 0 | 111 | R391 | E336-R391 IonicContact OE1-CZ 3.22Å; E336-R391 IonicContact OE1-NH1 3.74Å; E336-R391 PolarHBondContact OE1-NH1 2.77Å; E336-R391 IonicContact OE1-NH2 3.73Å; E336-R391 PolarHBondContact OE1-NH2 2.69Å; E336-R391 IonicContact OE2-NH1 2.73Å | ||
| 337 | I | 46.9 | Very low | 41.2 | Very low | 144 Ų | 144 | 142.6 Ų | 142.6 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | -118.9 | 109.4 | -177.8 | -59 | 174 | 0 | 0 | 0 | 109.1 | V339 | I337-V339 HydrophobicContact CG2-CG1 4.43Š| ||
| 338 | D | 55.9 | Low | 41.9 | Very low | 93 Ų | 93 | 144.3 Ų | 144.3 | 50% | 0.497 | 79% | 0.786 | S | S | . | * | trans | -84 | 121.4 | 174.3 | 176.5 | 6.5 | 0 | 0 | 0 | 110.2 | N340 R341 | D338-N340 PolarHBondContact OD1-N 2.93Å; D338-R341 IonicContact OD2-CZ 3.34Å; D338-R341 IonicContact OD2-NH1 2.66Å; D338-R341 PolarHBondContact OD2-NH1 3.18Å; D338-R341 IonicContact OD2-NH2 3.41Å; D338-R341 PolarHBondContact OD2-NH2 3.01Å | ||
| 339 | V | 67.4 | Low | 42.3 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 76% | 0.758 | 78% | 0.781 | S | S | * | * | trans | -98.7 | -0 | -175.8 | -72.2 | 0 | 0 | 0 | 0 | 114.2 | I337 | I337-V339 HydrophobicContact CG2-CG1 4.43Š| ||
| 340 | N | 44 | Very low | 43 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | -112.3 | 73.5 | -175.6 | -78.3 | -24.1 | 0 | 0 | 0 | 113 | D338 | D338-N340 PolarHBondContact OD1-N 2.93Š| ||
| 341 | R | 46.2 | Very low | 43 | Very low | 199 Ų | 199 | 140.1 Ų | 140.1 | 75% | 0.751 | 78% | 0.776 | S | S | * | * | trans | -136.3 | 120.9 | 161.2 | -73.8 | -167.3 | 176.8 | 70.4 | 15.5 | 112.1 | D338 | D338-R341 IonicContact OD2-CZ 3.34Å; D338-R341 IonicContact OD2-NH1 2.66Å; D338-R341 PolarHBondContact OD2-NH1 3.18Å; D338-R341 IonicContact OD2-NH2 3.41Å; D338-R341 PolarHBondContact OD2-NH2 3.01Å | ||
| 342 | E | 44.1 | Very low | 43.5 | Very low | 192 Ų | 192 | 140.2 Ų | 140.2 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | trans | -67.5 | 142.2 | 164.4 | -70.3 | -175 | 105.6 | 0 | 0 | 110.9 | A344 | E342-A344 PolarHBondContact O-N 2.87Š| ||
| 343 | P | 46.5 | Very low | 43.6 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | -80.8 | 115.5 | 171.2 | 31.6 | -31.6 | 0 | 0 | 0 | 110.7 | ||||
| 344 | A | 44.2 | Very low | 43.8 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -67.7 | 135.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E342 | E342-A344 PolarHBondContact O-N 2.87Š| ||
| 345 | V | 38.7 | Very low | 43.9 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | trans | -75 | 141.7 | 177.1 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 346 | T | 43.9 | Very low | 43.8 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -146.4 | 131.4 | 162.1 | -58.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 347 | E | 40.2 | Very low | 43.8 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -86 | 132.5 | -175 | -57.2 | 176.7 | 116 | 0 | 0 | 111.9 | ||||
| 348 | T | 42.3 | Very low | 43.3 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 91% | 0.914 | 79% | 0.79 | S | S | * | * | trans | -163.9 | 138.7 | 144.9 | -8.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 349 | G | 42 | Very low | 42.3 | Very low | 65 Ų | 65 | 144.6 Ų | 144.6 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | trans | -156 | -161.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 350 | P | 46.2 | Very low | 41.1 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | cis | -134.9 | -156.9 | -9.1 | 38.2 | -18.7 | 0 | 0 | 0 | 112.1 | ||||
| 351 | T | 36.9 | Very low | 40.6 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 73% | 0.73 | 81% | 0.81 | S | S | * | * | trans | 92.8 | 106.7 | 158.2 | -33.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 352 | R | 40.4 | Very low | 40.1 | Very low | 222 Ų | 222 | 143.8 Ų | 143.8 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | 177.7 | 111.7 | 100.6 | -168.6 | 169.4 | -169.9 | 162.9 | 1 | 114.6 | |||||
| 353 | D | 39.8 | Very low | 39.7 | Very low | 122 Ų | 122 | 139 Ų | 139 | 65% | 0.652 | 81% | 0.808 | S | S | * | * | trans | 22.2 | 109.5 | 147.6 | -36.5 | -42.3 | 0 | 0 | 0 | 121.8 | ||||
| 354 | Q | 39.3 | Very low | 39.3 | Very low | 196 Ų | 196 | 138.2 Ų | 138.2 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | -169.8 | 155 | 110 | -105.1 | 166.3 | 108.4 | 0 | 0 | 112.5 | |||||
| 355 | P | 38.5 | Very low | 39 | Very low | 119 Ų | 119 | 137 Ų | 137 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -116.2 | 168.9 | -170.2 | 42 | -33 | 0 | 0 | 0 | 116.4 | ||||
| 356 | A | 37.2 | Very low | 39.2 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | 75 | 99.2 | 153 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 357 | E | 39.4 | Very low | 39.1 | Very low | 200 Ų | 200 | 136.6 Ų | 136.6 | 94% | 0.935 | 80% | 0.802 | S | S | * | * | -152 | 165.8 | 127.4 | -124.8 | 173.4 | -165.9 | 0 | 0 | 110 | |||||
| 358 | E | 36.2 | Very low | 39.9 | Very low | 187 Ų | 187 | 132.3 Ų | 132.3 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -83 | 148.9 | -165.8 | -64.8 | -174.1 | 126 | 0 | 0 | 114.8 | ||
| 359 | P | 35 | Very low | 40.5 | Very low | 121 Ų | 121 | 127 Ų | 127 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 128.3 | -179.2 | 33 | -33.3 | 0 | 0 | 0 | 113.3 | ||
| 360 | P | 42.9 | Very low | 41.1 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 140 | 167.9 | 31.1 | -33.1 | 0 | 0 | 0 | 111.4 | V362 | P360-V362 PolarHBondContact O-N 3.25Š|
| 361 | H | 33.6 | Very low | 42.1 | Very low | 194 Ų | 194 | 130.7 Ų | 130.7 | 90% | 0.898 | 74% | 0.741 | S | S | * | * | trans | -27.8 | 110.3 | 179 | -65.6 | -90.8 | 0 | 0 | 0 | 116.6 | ||||
| 362 | V | 36 | Very low | 43.3 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 86% | 0.861 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 127.1 | 161.8 | -179 | 0 | 0 | 0 | 0 | 108.7 | P360 A364 | P360-V362 PolarHBondContact O-N 3.25Å; V362-A364 PolarHBondContact O-N 2.76Å |
| 363 | A | 34.5 | Very low | 44 | Very low | 92 Ų | 92 | 126.3 Ų | 126.3 | 76% | 0.76 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 127.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 364 | A | 37.4 | Very low | 44.8 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 85% | 0.851 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -76.9 | 136 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V362 | V362-A364 PolarHBondContact O-N 2.76Š|
| 365 | G | 38.9 | Very low | 45.4 | Very low | 73 Ų | 73 | 123 Ų | 123 | 75% | 0.753 | 70% | 0.702 | S | S | * | * | trans | 73 | 75.4 | 165 | 0 | 0 | 0 | 0 | 0 | 115 | N367 | G365-N367 VanDerWaalsContact C-N 3.33Å; G365-N367 PolarHBondContact O-N 3.38Å | ||
| 366 | V | 41.8 | Very low | 46.4 | Very low | 144 Ų | 144 | 122.2 Ų | 122.2 | 87% | 0.873 | 70% | 0.695 | S | S | * | * | trans | -61.4 | 101.2 | 154.4 | 177.2 | 0 | 0 | 0 | 0 | 107.2 | D368 | V366-D368 PolarHBondContact O-N 2.89Š| ||
| 367 | N | 43.3 | Very low | 46.7 | Very low | 109 Ų | 109 | 125 Ų | 125 | 58% | 0.583 | 69% | 0.691 | S | S | * | * | trans | -65.1 | 119 | 167.2 | 174.5 | 91 | 0 | 0 | 0 | 107.5 | G365 G369 | G365-N367 VanDerWaalsContact C-N 3.33Å; G365-N367 PolarHBondContact O-N 3.38Å; N367-G369 PolarHBondContact O-N 2.76Å | ||
| 368 | D | 56.3 | Low | 46.9 | Very low | 85 Ų | 85 | 122.9 Ų | 122.9 | 46% | 0.455 | 68% | 0.681 | S | S | . | * | trans | -47.8 | 121.6 | -175.2 | 175.8 | 14.7 | 0 | 0 | 0 | 112.8 | V366 F370 W371 Q372 | V366-D368 PolarHBondContact O-N 2.89Å; D368-F370 PolarHBondContact O-N 3.31Å; D368-F370 VanDerWaalsContact OD1-CB 3.26Å; D368-F370 WeakPolarHBondContact OD1-CB 3.07Å; D368-F370 PolarHBondContact OD1-N 2.95Å; D368-W371 PolarHBondContact O-N 2.96Å; D368-Q372 PolarHBondContact O-N 3.32Å | ||
| 369 | G | 55.5 | Low | 47.4 | Very low | 36 Ų | 36 | 120.2 Ų | 120.2 | 37% | 0.371 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -63.7 | -25.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N367 W371 Q372 Q373 | N367-G369 PolarHBondContact O-N 2.76Å; G369-W371 PolarHBondContact O-N 3.44Å; G369-Q372 PolarHBondContact O-N 3.5Å; G369-Q372 VanDerWaalsContact O-N 3.07Å; G369-Q373 PolarHBondContact O-N 2.76Å |
| 370 | F | 53.4 | Low | 47.5 | Very low | 125 Ų | 125 | 117.1 Ų | 117.1 | 55% | 0.548 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -54.6 | -52.7 | 174 | 175.2 | -97.9 | 0 | 0 | 0 | 111.3 | D368 Q372 Q373 F374 | D368-F370 PolarHBondContact O-N 3.31Å; D368-F370 VanDerWaalsContact OD1-CB 3.26Å; D368-F370 WeakPolarHBondContact OD1-CB 3.07Å; D368-F370 PolarHBondContact OD1-N 2.95Å; F370-Q372 VanDerWaalsContact C-N 3.26Å; F370-Q372 PolarHBondContact O-N 3.42Å; F370-Q373 PolarHBondContact O-N 3.14Å; F370-F374 WeakPolarHBondContact O-CB 3.23Å; F370-F374 PolarHBondContact O-N 2.82Å; F370-F374 VanDerWaalsContact O-N 3.1Å |
| 371 | W | 66.8 | Low | 47.2 | Very low | 143 Ų | 143 | 118.4 Ų | 118.4 | 54% | 0.542 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -68.7 | -25.2 | 176.6 | -67.8 | 107.1 | 0 | 0 | 0 | 113.1 | D368 G369 L375 | D368-W371 PolarHBondContact O-N 2.96Å; G369-W371 PolarHBondContact O-N 3.44Å; W371-L375 VanDerWaalsContact O-CB 3.32Å; W371-L375 WeakPolarHBondContact O-CB 3.4Å; W371-L375 WeakPolarHBondContact O-CD1 3.4Å; W371-L375 VanDerWaalsContact O-CG 3.24Å; W371-L375 WeakPolarHBondContact O-CG 3.5Å; W371-L375 PolarHBondContact O-N 2.93Å |
| 372 | Q | 62.5 | Low | 47.4 | Very low | 118 Ų | 118 | 116.2 Ų | 116.2 | 55% | 0.551 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -78.4 | -36.5 | 179.8 | -158.1 | 164.1 | 29.6 | 0 | 0 | 112.2 | D368 G369 F370 T376 | D368-Q372 PolarHBondContact O-N 3.32Å; G369-Q372 PolarHBondContact O-N 3.5Å; G369-Q372 VanDerWaalsContact O-N 3.07Å; F370-Q372 VanDerWaalsContact C-N 3.26Å; F370-Q372 PolarHBondContact O-N 3.42Å; Q372-T376 WeakPolarHBondContact O-CB 3.17Å; Q372-T376 PolarHBondContact O-N 2.73Å; Q372-T376 PolarHBondContact O-OG1 3.42Å |
| 373 | Q | 56.7 | Low | 47.4 | Very low | 130 Ų | 130 | 115 Ų | 115 | 61% | 0.607 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -67.7 | -53.5 | 170.5 | -70.4 | -178.4 | -61.9 | 0 | 0 | 110.9 | G369 F370 L375 T376 E377 | G369-Q373 PolarHBondContact O-N 2.76Å; F370-Q373 PolarHBondContact O-N 3.14Å; Q373-L375 PolarHBondContact O-N 3.29Å; Q373-T376 PolarHBondContact O-N 3.31Å; Q373-E377 PolarHBondContact O-N 2.85Å; Q373-E377 VanDerWaalsContact O-N 3.15Å |
| 374 | F | 56.2 | Low | 47.6 | Very low | 160 Ų | 160 | 120.3 Ų | 120.3 | 70% | 0.702 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -63.1 | -16.1 | -174.6 | -157.2 | -90.4 | 0 | 0 | 0 | 114.6 | F370 | F370-F374 WeakPolarHBondContact O-CB 3.23Å; F370-F374 PolarHBondContact O-N 2.82Å; F370-F374 VanDerWaalsContact O-N 3.1Å |
| 375 | L | 51.8 | Low | 47.5 | Very low | 90 Ų | 90 | 123.8 Ų | 123.8 | 47% | 0.471 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.7 | -5.9 | 175.6 | -64.8 | 176.7 | 0 | 0 | 0 | 114.4 | W371 Q373 | W371-L375 VanDerWaalsContact O-CB 3.32Å; W371-L375 WeakPolarHBondContact O-CB 3.4Å; W371-L375 WeakPolarHBondContact O-CD1 3.4Å; W371-L375 VanDerWaalsContact O-CG 3.24Å; W371-L375 WeakPolarHBondContact O-CG 3.5Å; W371-L375 PolarHBondContact O-N 2.93Å; Q373-L375 PolarHBondContact O-N 3.29Å |
| 376 | T | 59.7 | Low | 47.3 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 62% | 0.62 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | -30.5 | -175.3 | -53.6 | 0 | 0 | 0 | 0 | 113.1 | Q372 Q373 Q378 | Q372-T376 WeakPolarHBondContact O-CB 3.17Å; Q372-T376 PolarHBondContact O-N 2.73Å; Q372-T376 PolarHBondContact O-OG1 3.42Å; Q373-T376 PolarHBondContact O-N 3.31Å; T376-Q378 PolarHBondContact O-N 3.41Å |
| 377 | E | 44 | Very low | 47 | Very low | 156 Ų | 156 | 127.8 Ų | 127.8 | 73% | 0.729 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 118 | 176.1 | -66.2 | -167.1 | 146.4 | 0 | 0 | 111.1 | Q373 | Q373-E377 PolarHBondContact O-N 2.85Å; Q373-E377 VanDerWaalsContact O-N 3.15Å |
| 378 | Q | 43.4 | Very low | 46.5 | Very low | 156 Ų | 156 | 132 Ų | 132 | 73% | 0.729 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 125.4 | 167.8 | -63.2 | -178.6 | 31.1 | 0 | 0 | 108 | T376 G380 | T376-Q378 PolarHBondContact O-N 3.41Å; Q378-G380 PolarHBondContact O-N 2.88Å; Q378-G380 VanDerWaalsContact O-N 3.12Å |
| 379 | P | 45.1 | Very low | 45.6 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 85% | 0.851 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 117.1 | 170.9 | -23.3 | 34.4 | 0 | 0 | 0 | 110.2 | ||
| 380 | G | 37.9 | Very low | 44.8 | Very low | 57 Ų | 57 | 141 Ų | 141 | 59% | 0.588 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 147.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q378 D382 | Q378-G380 PolarHBondContact O-N 2.88Å; Q378-G380 VanDerWaalsContact O-N 3.12Å; G380-D382 PolarHBondContact O-N 2.9Å |
| 381 | P | 36.1 | Very low | 44.2 | Very low | 142 Ų | 142 | 144.3 Ų | 144.3 | 92% | 0.922 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -83.9 | 73.1 | -171.5 | 34.6 | -36.9 | 0 | 0 | 0 | 112.5 | ||
| 382 | D | 37.3 | Very low | 43 | Very low | 148 Ų | 148 | 149.3 Ų | 149.3 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | -154.8 | 165.2 | 162.2 | -143.7 | -25.5 | 0 | 0 | 0 | 112.1 | G380 | G380-D382 PolarHBondContact O-N 2.9Š| ||
| 383 | V | 37.7 | Very low | 42.1 | Very low | 116 Ų | 116 | 151.8 Ų | 151.8 | 70% | 0.703 | 78% | 0.784 | S | S | * | * | trans | 62 | 78.2 | 177.3 | -163.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 384 | H | 37.2 | Very low | 41.7 | Very low | 204 Ų | 204 | 149 Ų | 149 | 94% | 0.944 | 79% | 0.79 | S | S | * | * | trans | -100 | 73.8 | 156.7 | -104 | -61.2 | 0 | 0 | 0 | 110.7 | ||||
| 385 | Q | 35.8 | Very low | 41.1 | Very low | 175 Ų | 175 | 148.2 Ų | 148.2 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -153.6 | 164.4 | 165.6 | -114.2 | 170.4 | 13.3 | 0 | 0 | 110.3 | ||||
| 386 | E | 35.6 | Very low | 40.9 | Very low | 199 Ų | 199 | 151.6 Ų | 151.6 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | trans | 68 | 74.8 | 166.2 | -157 | 154.4 | -112.1 | 0 | 0 | 117.5 | ||||
| 387 | A | 34.5 | Very low | 40.2 | Very low | 102 Ų | 102 | 154.3 Ų | 154.3 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -151.8 | 35 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 388 | Q | 34.1 | Very low | 40.2 | Very low | 199 Ų | 199 | 156.4 Ų | 156.4 | 93% | 0.93 | 83% | 0.83 | S | S | * | * | trans | -141.9 | 66.7 | 171.3 | -77 | -158.2 | -7.2 | 0 | 0 | 113.3 | ||||
| 389 | S | 37.4 | Very low | 40.1 | Very low | 117 Ų | 117 | 152.3 Ų | 152.3 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -169.2 | 105.5 | 156.9 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 390 | E | 38.3 | Very low | 39.8 | Very low | 191 Ų | 191 | 152.8 Ų | 152.8 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | trans | -169.2 | 163.9 | 144.5 | -115.3 | -178.3 | 170 | 0 | 0 | 111.4 | ||||
| 391 | R | 41.2 | Very low | 40 | Very low | 196 Ų | 196 | 157.7 Ų | 157.7 | 74% | 0.74 | 83% | 0.832 | S | S | * | * | trans | 80.5 | 71.6 | -178.4 | -51.4 | -172 | -170.1 | -139.4 | 2.2 | 117.9 | E336 | E336-R391 IonicContact OE1-CZ 3.22Å; E336-R391 IonicContact OE1-NH1 3.74Å; E336-R391 PolarHBondContact OE1-NH1 2.77Å; E336-R391 IonicContact OE1-NH2 3.73Å; E336-R391 PolarHBondContact OE1-NH2 2.69Å; E336-R391 IonicContact OE2-NH1 2.73Å | ||
| 392 | R | 41.2 | Very low | 40.3 | Very low | 248 Ų | 248 | 156.1 Ų | 156.1 | 94% | 0.936 | 82% | 0.82 | S | S | * | * | -139.6 | 128.2 | 127.3 | -79.5 | -160.9 | -179 | -147.8 | 1.8 | 109.9 | |||||
| 393 | D | 43.2 | Very low | 40.4 | Very low | 170 Ų | 170 | 159.5 Ų | 159.5 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | -151.2 | 143.5 | 150.2 | -115.4 | -16.9 | 0 | 0 | 0 | 106.7 | ||||
| 394 | G | 47.4 | Very low | 40.8 | Very low | 71 Ų | 71 | 159.6 Ų | 159.6 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | trans | 146.1 | 100.3 | -166.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 395 | D | 44.1 | Very low | 40.9 | Very low | 143 Ų | 143 | 153 Ų | 153 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | trans | -75.5 | 179.1 | -165.5 | -65.5 | -79.8 | 0 | 0 | 0 | 116.3 | ||||
| 396 | D | 47.3 | Very low | 41.3 | Very low | 162 Ų | 162 | 151.2 Ų | 151.2 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | 65.7 | 109.6 | 169.1 | -60 | -39.4 | 0 | 0 | 0 | 116 | ||||
| 397 | D | 46.4 | Very low | 41.7 | Very low | 157 Ų | 157 | 147.6 Ų | 147.6 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | -156.4 | 174.7 | 57.8 | -171.3 | 19.6 | 0 | 0 | 0 | 113.2 | |||||
| 398 | K | 43 | Very low | 42 | Very low | 201 Ų | 201 | 151.6 Ų | 151.6 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -91.9 | 115.2 | -175.6 | -65.8 | 168.6 | -177.8 | 164.2 | 0 | 113 | ||||
| 399 | G | 40.9 | Very low | 42.5 | Very low | 69 Ų | 69 | 149.5 Ų | 149.5 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | -151.2 | 111.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q401 | G399-Q401 PolarHBondContact O-N 2.94Š| ||
| 400 | D | 38.5 | Very low | 43 | Very low | 142 Ų | 142 | 147.5 Ų | 147.5 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | -50.7 | 114.7 | 179.2 | 174.9 | 23.5 | 0 | 0 | 0 | 113.7 | T402 | D400-T402 PolarHBondContact OD1-N 3.27Å; D400-T402 PolarHBondContact OD1-OG1 2.91Å | ||
| 401 | Q | 43.2 | Very low | 43.7 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | trans | -139 | 83.8 | 162 | -79.2 | -167 | 83.3 | 0 | 0 | 110.8 | G399 R403 | G399-Q401 PolarHBondContact O-N 2.94Å; Q401-R403 PolarHBondContact O-N 3.34Å | ||
| 402 | T | 41.5 | Very low | 44.3 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 66% | 0.663 | 72% | 0.721 | S | S | * | * | trans | -75.3 | 116.7 | 173 | -63.7 | 0 | 0 | 0 | 0 | 111.3 | D400 | D400-T402 PolarHBondContact OD1-N 3.27Å; D400-T402 PolarHBondContact OD1-OG1 2.91Å | ||
| 403 | R | 40.8 | Very low | 44.7 | Very low | 219 Ų | 219 | 131.4 Ų | 131.4 | 83% | 0.826 | 69% | 0.692 | S | S | * | * | trans | 71.3 | 92.7 | 171.9 | -57.8 | 169.4 | -173.7 | -154.3 | 1.2 | 117.3 | Q401 | Q401-R403 PolarHBondContact O-N 3.34Š| ||
| 404 | I | 46 | Very low | 45.3 | Very low | 118 Ų | 118 | 131 Ų | 131 | 61% | 0.605 | 68% | 0.682 | S | S | * | * | trans | -124.3 | 80.1 | 153.1 | -54.7 | 179.1 | 0 | 0 | 0 | 107.6 | ||||
| 405 | G | 39.3 | Very low | 45.9 | Very low | 65 Ų | 65 | 136.2 Ų | 136.2 | 67% | 0.67 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -130.6 | -31.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 406 | D | 43.2 | Very low | 46.4 | Very low | 139 Ų | 139 | 132 Ų | 132 | 74% | 0.743 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -101.5 | 10.7 | -171.6 | -51 | -74.3 | 0 | 0 | 0 | 114.2 | E408 | D406-E408 VanDerWaalsContact C-N 3.33Å; D406-E408 PolarHBondContact O-N 3.44Å |
| 407 | R | 43.9 | Very low | 47.1 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 46% | 0.46 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.1 | 10 | -165 | -144.9 | -174.3 | -167.8 | 149.6 | 13.9 | 115.7 | N409 F410 | R407-N409 VanDerWaalsContact C-N 3.25Å; R407-N409 PolarHBondContact O-N 3.29Å; R407-F410 HydrophobicContact CG-CE1 4.43Å; R407-F410 HydrophobicContact CG-CE2 4.07Å; R407-F410 HydrophobicContact CG-CZ 3.83Å; R407-F410 WeakPolarHBondContact O-CD2 3.3Å; R407-F410 WeakPolarHBondContact O-CE2 3.26Å |
| 408 | E | 41.8 | Very low | 47.8 | Very low | 187 Ų | 187 | 124.4 Ų | 124.4 | 87% | 0.874 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -11.4 | 179.1 | -63.3 | -159.7 | 131.4 | 0 | 0 | 113.9 | D406 F410 | D406-E408 VanDerWaalsContact C-N 3.33Å; D406-E408 PolarHBondContact O-N 3.44Å; E408-F410 PolarHBondContact O-N 2.87Å; E408-F410 VanDerWaalsContact O-N 3.09Å |
| 409 | N | 43.9 | Very low | 48.8 | Very low | 155 Ų | 155 | 119 Ų | 119 | 83% | 0.829 | 60% | 0.599 | S | S | * | * | trans | -82.1 | 32.5 | -178.3 | -68.8 | -60 | 0 | 0 | 0 | 114.7 | R407 W411 | R407-N409 VanDerWaalsContact C-N 3.25Å; R407-N409 PolarHBondContact O-N 3.29Å; N409-W411 PolarHBondContact O-N 2.73Å | ||
| 410 | F | 49.2 | Very low | 49.6 | Very low | 75 Ų | 75 | 120.2 Ų | 120.2 | 33% | 0.329 | 59% | 0.587 | S | S | . | * | trans | -59.8 | 126 | 175.6 | -76.6 | -69.6 | 0 | 0 | 0 | 111.6 | R407 E408 W412 G413 | R407-F410 HydrophobicContact CG-CE1 4.43Å; R407-F410 HydrophobicContact CG-CE2 4.07Å; R407-F410 HydrophobicContact CG-CZ 3.83Å; R407-F410 WeakPolarHBondContact O-CD2 3.3Å; R407-F410 WeakPolarHBondContact O-CE2 3.26Å; E408-F410 PolarHBondContact O-N 2.87Å; E408-F410 VanDerWaalsContact O-N 3.09Å; F410-W412 AromaticContact CD1-NE1 3.74Å; F410-W412 PolarHBondContact O-N 3.34Å; F410-W412 VanDerWaalsContact O-N 3.12Å; F410-G413 PolarHBondContact O-N 2.95Å | ||
| 411 | W | 52 | Low | 51 | Low | 167 Ų | 167 | 122.5 Ų | 122.5 | 63% | 0.633 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -29.3 | 176.8 | -178.3 | -73.4 | 0 | 0 | 0 | 112.4 | N409 G413 N416 | N409-W411 PolarHBondContact O-N 2.73Å; W411-G413 VanDerWaalsContact C-N 3.31Å; W411-G413 PolarHBondContact O-N 3.4Å; W411-N416 WeakPolarHBondContact O-CB 3.29Å; W411-N416 PolarHBondContact O-ND2 3.07Å |
| 412 | W | 53.8 | Low | 52.2 | Low | 99 Ų | 99 | 120.5 Ų | 120.5 | 38% | 0.375 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.4 | 9.9 | 176.9 | 7.4 | 94.1 | 0 | 0 | 0 | 114 | M155 E159 F410 V417 | M155-W412 HydrophobicContact CE-CD2 4.17Å; M155-W412 HydrophobicContact CE-CE3 4.28Å; E159-W412 HydrophobicContact CB-CZ2 4.24Å; E159-W412 HydrophobicContact CG-CZ2 4.25Å; F410-W412 AromaticContact CD1-NE1 3.74Å; F410-W412 PolarHBondContact O-N 3.34Å; F410-W412 VanDerWaalsContact O-N 3.12Å; W412-V417 VanDerWaalsContact O-CG2 3.26Å; W412-V417 WeakPolarHBondContact O-CG2 3.31Å |
| 413 | G | 48.4 | Very low | 53.1 | Low | 31 Ų | 31 | 121.2 Ų | 121.2 | 32% | 0.32 | 57% | 0.569 | S | S | . | * | trans | -54.1 | 144.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F410 W411 K415 N416 V417 | F410-G413 PolarHBondContact O-N 2.95Å; W411-G413 VanDerWaalsContact C-N 3.31Å; W411-G413 PolarHBondContact O-N 3.4Å; G413-K415 VanDerWaalsContact C-N 3.26Å; G413-K415 PolarHBondContact O-N 2.92Å; G413-N416 WeakPolarHBondContact O-CA 3.39Å; G413-N416 WeakPolarHBondContact O-CB 3.31Å; G413-N416 PolarHBondContact O-N 3.15Å; G413-V417 PolarHBondContact O-N 3.45Å | ||
| 414 | K | 56.8 | Low | 53.9 | Low | 161 Ų | 161 | 116 Ų | 116 | 70% | 0.7 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -44.5 | -45.8 | -168.4 | -169.6 | 179.1 | 177.4 | -172.7 | 0 | 114.2 | N416 V417 E418 | K414-N416 VanDerWaalsContact C-N 3.31Å; K414-N416 PolarHBondContact O-N 3.25Å; K414-V417 PolarHBondContact O-N 2.89Å; K414-E418 WeakPolarHBondContact CE-OE1 3.37Å; K414-E418 WeakPolarHBondContact CG-OE1 3.46Å; K414-E418 WeakPolarHBondContact O-CG 3.38Å; K414-E418 PolarHBondContact O-N 2.94Å |
| 415 | K | 59.7 | Low | 54.4 | Low | 181 Ų | 181 | 112 Ų | 112 | 79% | 0.787 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -58.2 | -36.6 | 177.5 | -63 | 177.3 | -180 | 174 | 0 | 113.6 | G413 Q419 | G413-K415 VanDerWaalsContact C-N 3.26Å; G413-K415 PolarHBondContact O-N 2.92Å; K415-Q419 WeakPolarHBondContact O-CB 3.34Å; K415-Q419 PolarHBondContact O-N 3.41Å |
| 416 | N | 55.1 | Low | 55.1 | Low | 53 Ų | 53 | 117.8 Ų | 117.8 | 28% | 0.283 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -80.1 | -35.3 | -179 | -130.9 | 19.9 | 0 | 0 | 0 | 111.6 | W411 G413 K414 Q419 M420 | W411-N416 WeakPolarHBondContact O-CB 3.29Å; W411-N416 PolarHBondContact O-ND2 3.07Å; G413-N416 WeakPolarHBondContact O-CA 3.39Å; G413-N416 WeakPolarHBondContact O-CB 3.31Å; G413-N416 PolarHBondContact O-N 3.15Å; K414-N416 VanDerWaalsContact C-N 3.31Å; K414-N416 PolarHBondContact O-N 3.25Å; N416-Q419 PolarHBondContact O-N 2.81Å; N416-M420 WeakPolarHBondContact O-CG 3.46Å; N416-M420 PolarHBondContact O-N 3.07Å |
| 417 | V | 60.8 | Low | 55.2 | Low | 68 Ų | 68 | 117.2 Ų | 117.2 | 41% | 0.412 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 172.3 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | W412 G413 K414 M420 R421 | W412-V417 VanDerWaalsContact O-CG2 3.26Å; W412-V417 WeakPolarHBondContact O-CG2 3.31Å; G413-V417 PolarHBondContact O-N 3.45Å; K414-V417 PolarHBondContact O-N 2.89Å; V417-M420 PolarHBondContact O-N 2.88Å; V417-R421 WeakPolarHBondContact O-CB 3.15Å; V417-R421 PolarHBondContact O-N 3.38Å |
| 418 | E | 61 | Low | 55.5 | Low | 92 Ų | 92 | 117.2 Ų | 117.2 | 43% | 0.43 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.9 | -44.5 | 172.5 | -73.6 | 164 | 178.2 | 0 | 0 | 111.4 | K414 M420 R421 E422 | K414-E418 WeakPolarHBondContact CE-OE1 3.37Å; K414-E418 WeakPolarHBondContact CG-OE1 3.46Å; K414-E418 WeakPolarHBondContact O-CG 3.38Å; K414-E418 PolarHBondContact O-N 2.94Å; E418-M420 PolarHBondContact O-N 3.05Å; E418-R421 WeakPolarHBondContact O-CB 3.14Å; E418-R421 PolarHBondContact O-N 2.86Å; E418-E422 PolarHBondContact O-N 2.95Å |
| 419 | Q | 64.1 | Low | 55.8 | Low | 89 Ų | 89 | 113 Ų | 113 | 42% | 0.416 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.8 | -36.3 | 175.8 | -162.1 | -170.9 | 113.5 | 0 | 0 | 113.2 | K415 N416 K423 | K415-Q419 WeakPolarHBondContact O-CB 3.34Å; K415-Q419 PolarHBondContact O-N 3.41Å; N416-Q419 PolarHBondContact O-N 2.81Å; Q419-K423 HydrophobicContact CG-CD 4.48Å; Q419-K423 WeakPolarHBondContact O-CB 3.37Å; Q419-K423 WeakPolarHBondContact O-CG 3.27Å; Q419-K423 PolarHBondContact O-N 3.25Å |
| 420 | M | 59 | Low | 56 | Low | 93 Ų | 93 | 111.7 Ų | 111.7 | 46% | 0.458 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.5 | -40.3 | 172.2 | -75 | -153.8 | -62.2 | 0 | 0 | 111.8 | N416 V417 E418 E422 K423 L424 | N416-M420 WeakPolarHBondContact O-CG 3.46Å; N416-M420 PolarHBondContact O-N 3.07Å; V417-M420 PolarHBondContact O-N 2.88Å; E418-M420 PolarHBondContact O-N 3.05Å; M420-E422 PolarHBondContact O-N 2.94Å; M420-K423 PolarHBondContact O-N 3.12Å; M420-L424 WeakPolarHBondContact O-CB 3.49Å; M420-L424 WeakPolarHBondContact O-CG 3.34Å; M420-L424 PolarHBondContact O-N 3.2Å |
| 421 | R | 68 | Low | 55.6 | Low | 190 Ų | 190 | 117.3 Ų | 117.3 | 72% | 0.717 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59.1 | -44.9 | 173.9 | 176.3 | -175.7 | -78.5 | -179.8 | -5.6 | 111.4 | V417 E418 G425 | V417-R421 WeakPolarHBondContact O-CB 3.15Å; V417-R421 PolarHBondContact O-N 3.38Å; E418-R421 WeakPolarHBondContact O-CB 3.14Å; E418-R421 PolarHBondContact O-N 2.86Å; R421-G425 PolarHBondContact O-N 3.49Å |
| 422 | E | 67.9 | Low | 55 | Low | 119 Ų | 119 | 118.9 Ų | 118.9 | 56% | 0.556 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.3 | -44.8 | 175.4 | -74.8 | -158.3 | 113.4 | 0 | 0 | 112.6 | E418 M420 G425 R426 | E418-E422 PolarHBondContact O-N 2.95Å; M420-E422 PolarHBondContact O-N 2.94Å; E422-G425 PolarHBondContact O-N 2.85Å; E422-R426 WeakPolarHBondContact O-CG 3.43Å; E422-R426 PolarHBondContact O-N 2.62Å; E422-R426 VanDerWaalsContact O-N 3.13Å |
| 423 | K | 61.1 | Low | 54.1 | Low | 123 Ų | 123 | 124.5 Ų | 124.5 | 54% | 0.535 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.1 | -42.8 | 179 | -76.9 | 171.5 | 173 | 171 | 0 | 111.8 | Q419 M420 R426 L427 | Q419-K423 HydrophobicContact CG-CD 4.48Å; Q419-K423 WeakPolarHBondContact O-CB 3.37Å; Q419-K423 WeakPolarHBondContact O-CG 3.27Å; Q419-K423 PolarHBondContact O-N 3.25Å; M420-K423 PolarHBondContact O-N 3.12Å; K423-R426 PolarHBondContact O-N 2.96Å; K423-L427 WeakPolarHBondContact O-CG 3.14Å; K423-L427 PolarHBondContact O-N 3.4Å |
| 424 | L | 57.2 | Low | 54.4 | Low | 109 Ų | 109 | 129.2 Ų | 129.2 | 57% | 0.571 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.9 | -43.4 | 176.5 | -75.5 | 162.3 | 0 | 0 | 0 | 112.3 | M420 R426 L427 T428 | M420-L424 WeakPolarHBondContact O-CB 3.49Å; M420-L424 WeakPolarHBondContact O-CG 3.34Å; M420-L424 PolarHBondContact O-N 3.2Å; L424-R426 PolarHBondContact O-N 2.92Å; L424-L427 WeakPolarHBondContact O-CB 3.22Å; L424-L427 PolarHBondContact O-N 3.2Å; L424-T428 PolarHBondContact O-N 2.99Å |
| 425 | G | 57.1 | Low | 54.3 | Low | 35 Ų | 35 | 127.5 Ų | 127.5 | 36% | 0.361 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -63.2 | -27.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | R421 E422 T428 S429 | R421-G425 PolarHBondContact O-N 3.49Å; E422-G425 PolarHBondContact O-N 2.85Å; G425-T428 PolarHBondContact O-OG1 3.33Å; G425-S429 PolarHBondContact O-OG 2.92Å |
| 426 | R | 53.7 | Low | 54 | Low | 185 Ų | 185 | 124.6 Ų | 124.6 | 70% | 0.698 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -74.2 | -29.6 | 171.8 | -72.2 | 173.1 | -174 | -84.8 | -0.3 | 113 | E422 K423 L424 | E422-R426 WeakPolarHBondContact O-CG 3.43Å; E422-R426 PolarHBondContact O-N 2.62Å; E422-R426 VanDerWaalsContact O-N 3.13Å; K423-R426 PolarHBondContact O-N 2.96Å; L424-R426 PolarHBondContact O-N 2.92Å |
| 427 | L | 44.1 | Very low | 53.9 | Low | 127 Ų | 127 | 128.8 Ų | 128.8 | 67% | 0.665 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -74.5 | -32.1 | 176.5 | -67.6 | 169.4 | 0 | 0 | 0 | 112.3 | K423 L424 S429 | K423-L427 WeakPolarHBondContact O-CG 3.14Å; K423-L427 PolarHBondContact O-N 3.4Å; L424-L427 WeakPolarHBondContact O-CB 3.22Å; L424-L427 PolarHBondContact O-N 3.2Å; L427-S429 PolarHBondContact O-N 2.89Å |
| 428 | T | 49.9 | Very low | 53.5 | Low | 122 Ų | 122 | 132.6 Ų | 132.6 | 75% | 0.748 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 3.6 | 178.3 | 51.8 | 0 | 0 | 0 | 0 | 114.9 | L424 G425 | L424-T428 PolarHBondContact O-N 2.99Å; G425-T428 PolarHBondContact O-OG1 3.33Å |
| 429 | S | 49.6 | Very low | 53 | Low | 99 Ų | 99 | 135.3 Ų | 135.3 | 69% | 0.692 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | 10.9 | -174.4 | -58.8 | 0 | 0 | 0 | 0 | 114.5 | G425 L427 | G425-S429 PolarHBondContact O-OG 2.92Å; L427-S429 PolarHBondContact O-N 2.89Å |
| 430 | V | 46.8 | Very low | 52.2 | Low | 127 Ų | 127 | 138.6 Ų | 138.6 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | trans | -114.6 | 29.9 | -170.7 | 82 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 431 | E | 40.8 | Very low | 51.7 | Low | 193 Ų | 193 | 142.1 Ų | 142.1 | 90% | 0.902 | 73% | 0.725 | S | S | * | * | trans | -127.2 | 63.1 | 175.9 | -161.5 | -177.3 | 155.5 | 0 | 0 | 112.1 | ||||
| 432 | K | 40.2 | Very low | 50.3 | Low | 200 Ų | 200 | 138.1 Ų | 138.1 | 87% | 0.87 | 73% | 0.725 | S | S | * | * | trans | -160.6 | 64.8 | 171 | -152.9 | 172.3 | -173.8 | 173.4 | 0 | 115.6 | ||||
| 433 | T | 35.2 | Very low | 48.7 | Very low | 218 Ų | 218 | 139.8 Ų | 139.8 | 100% | 1.337 | 74% | 0.741 | S | S | * | * | trans | -152.4 | 0 | 157.2 | -38.6 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 433 of 433 residues in 71.5 ms
(Link to these results)