| 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 | 54 | Low | 79.2 | Confident | 209 Ų | 209 | 50.3 Ų | 50.3 | 100% | 1.03 | 26% | 0.263 | S | S | * | . | 0 | 138 | 0 | -72.8 | 172.3 | 178 | 0 | 0 | 108.3 | |||||
| 2 | T | 60.4 | Low | 80.6 | Confident | 97 Ų | 97 | 46.1 Ų | 46.1 | 60% | 0.595 | 24% | 0.241 | S | C | * | . | trans | -93.1 | 106 | 174.8 | 43.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 3 | C | 66.9 | Low | 81.9 | Confident | 47 Ų | 47 | 45.3 Ų | 45.3 | 32% | 0.318 | 24% | 0.236 | S | C | . | . | trans | -56.8 | 146.1 | 169.6 | -176.9 | 0 | 0 | 0 | 0 | 109 | S66 I154 | C3-S66 CarbonylContact C-O 3.59Å; C3-S66 WeakPolarHBondContact CA-O 3.37Å; C3-I154 WeakPolarHBondContact O-CD1 3.4Å | ||
| 4 | K | 73.9 | Confident | 83 | Confident | 44 Ų | 44 | 42.1 Ų | 42.1 | 19% | 0.191 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 131.9 | 170.8 | -67.3 | -178.9 | 179 | -176.1 | 0 | 107.9 | Y6 S66 R69 K151 | K4-Y6 HydrophobicContact CB-CD2 4.34Å; K4-Y6 HydrophobicContact CB-CE2 3.48Å; K4-Y6 VanDerWaalsContact CB-CE2 3.48Å; K4-Y6 HydrophobicContact CD-CE2 4.45Å; K4-Y6 WeakPolarHBondContact CD-OH 3.21Å; K4-S66 PolarHBondContact N-O 3.07Å; K4-S66 PolarHBondContact O-N 2.68Å; K4-R69 WeakPolarHBondContact CE-O 3.45Å; K4-R69 PolarHBondContact NZ-O 3.43Å; K4-K151 HydrophobicContact CD-CD 4.46Å |
| 5 | I | 80.5 | Confident | 84 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 132.4 | 176 | -54.3 | 177 | 0 | 0 | 0 | 107.7 | I63 F65 I152 I154 | I5-I63 HydrophobicContact CG2-CG2 3.49Å; I5-I63 VanDerWaalsContact CG2-CG2 3.49Å; I5-F65 HydrophobicContact CD1-CD1 4.45Å; I5-F65 HydrophobicContact CD1-CE1 3.98Å; I5-F65 HydrophobicContact CG1-CD1 3.89Å; I5-F65 HydrophobicContact CG1-CE1 3.87Å; I5-F65 HydrophobicContact CG2-CE1 4.33Å; I5-I152 HydrophobicContact CB-CB 4.23Å; I5-I152 HydrophobicContact CG2-CB 4.32Å; I5-I152 HydrophobicContact CG2-CD1 3.76Å; I5-I152 PolarHBondContact O-N 3.4Å; I5-I154 HydrophobicContact CD1-CG1 4.26Å; I5-I154 HydrophobicContact CG1-CG1 4.45Å |
| 6 | Y | 81.1 | Confident | 84.8 | Confident | 15 Ų | 15 | 40.8 Ų | 40.8 | 6% | 0.059 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 131.8 | 177 | -64.2 | -93.7 | 0 | 0 | 0 | 109.5 | K4 I63 F64 V71 Q150 K151 | K4-Y6 HydrophobicContact CB-CD2 4.34Å; K4-Y6 HydrophobicContact CB-CE2 3.48Å; K4-Y6 VanDerWaalsContact CB-CE2 3.48Å; K4-Y6 HydrophobicContact CD-CE2 4.45Å; K4-Y6 WeakPolarHBondContact CD-OH 3.21Å; Y6-I63 CarbonylContact O-C 3.46Å; Y6-I63 WeakPolarHBondContact O-CA 3.15Å; Y6-F64 PolarHBondContact N-O 3.13Å; Y6-F64 PolarHBondContact O-N 3.42Å; Y6-V71 HydrophobicContact CD2-CG2 4.47Å; Y6-V71 HydrophobicContact CE2-CB 4.18Å; Y6-V71 HydrophobicContact CE2-CG2 3.44Å; Y6-V71 VanDerWaalsContact CE2-CG2 3.44Å; Y6-V71 WeakPolarHBondContact OH-CG2 3.36Å; Y6-Q150 CarbonylContact C-O 3.57Å; Y6-Q150 WeakPolarHBondContact CA-O 3.47Å; Y6-K151 HydrophobicContact CD1-CB 4.21Å; Y6-K151 HydrophobicContact CE1-CB 4.07Å; Y6-K151 HydrophobicContact CE1-CG 4.24Å |
| 7 | L | 86.6 | Confident | 85.5 | Confident | 27 Ų | 27 | 38.4 Ų | 38.4 | 14% | 0.141 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 125.5 | 166.1 | -174.4 | 67 | 0 | 0 | 0 | 108 | R61 I63 F149 Q150 I152 | L7-R61 HydrophobicContact CD1-CG 3.69Å; L7-I63 HydrophobicContact CD1-CG1 3.99Å; L7-F149 WeakPolarHBondContact O-CA 2.89Å; L7-Q150 PolarHBondContact N-O 2.65Å; L7-Q150 PolarHBondContact O-N 3.1Å; L7-I152 HydrophobicContact CB-CD1 3.79Å; L7-I152 HydrophobicContact CB-CG1 4.21Å |
| 8 | C | 87.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 125.5 | 171 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | R61 A62 F64 S148 F149 | C8-R61 WeakPolarHBondContact O-CA 3.3Å; C8-A62 PolarHBondContact N-O 3.15Å; C8-A62 PolarHBondContact O-N 3.35Å; C8-F64 HydrophobicContact CB-CD2 3.9Å; C8-F64 HydrophobicContact CB-CE2 3.51Å; C8-S148 WeakPolarHBondContact CA-O 3.1Å; C8-F149 HydrophobicContact CB-CD1 3.79Å; C8-F149 HydrophobicContact CB-CE1 3.5Å; C8-F149 HydrophobicContact CB-CZ 4.38Å; C8-F149 WeakPolarHBondContact SG-CE1 3.11Å; C8-F149 VanDerWaalsContact SG-CZ 3.53Å |
| 9 | D | 91.2 | Very high | 86.6 | Confident | 28 Ų | 28 | 35.6 Ų | 35.6 | 15% | 0.15 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 127.6 | 169.2 | -77 | -37 | 0 | 0 | 0 | 109.4 | F60 R61 T147 S148 | D9-F60 WeakPolarHBondContact CA-O 3.43Å; D9-R61 WeakPolarHBondContact OD1-CB 3.41Å; D9-R61 WeakPolarHBondContact OD1-CG 3.42Å; D9-R61 IonicContact OD1-CZ 3.43Å; D9-R61 IonicContact OD1-NE 2.66Å; D9-R61 PolarHBondContact OD1-NE 3.13Å; D9-R61 IonicContact OD1-NH2 3.52Å; D9-R61 PolarHBondContact OD1-NH2 3.18Å; D9-R61 IonicContact OD2-CZ 3.42Å; D9-R61 IonicContact OD2-NE 3.4Å; D9-R61 IonicContact OD2-NH2 3.58Å; D9-R61 PolarHBondContact OD2-NH2 2.9Å; D9-T147 CarbonylContact O-C 3.45Å; D9-T147 WeakPolarHBondContact O-CA 3.5Å; D9-S148 PolarHBondContact N-O 2.89Å; D9-S148 PolarHBondContact O-N 2.86Å |
| 10 | V | 93 | Very high | 86.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 114.6 | 176.1 | 177.1 | 0 | 0 | 0 | 0 | 108.3 | L36 F37 T59 F60 F77 F110 I146 T147 | V10-L36 HydrophobicContact CB-CD2 4.07Å; V10-L36 HydrophobicContact CG1-CD2 3.95Å; V10-L36 HydrophobicContact CG2-CD2 4.24Å; V10-F37 HydrophobicContact CB-CE2 4.43Å; V10-F37 HydrophobicContact CG2-CE2 3.88Å; V10-F37 HydrophobicContact CG2-CZ 3.94Å; V10-T59 CarbonylContact O-C 3.58Å; V10-T59 WeakPolarHBondContact O-CA 3.14Å; V10-F60 HydrophobicContact CB-CB 4.43Å; V10-F60 PolarHBondContact N-O 2.84Å; V10-F60 PolarHBondContact O-N 3.08Å; V10-F77 HydrophobicContact CG2-CZ 4.28Å; V10-F110 HydrophobicContact CG1-CE1 3.62Å; V10-F110 HydrophobicContact CG1-CZ 3.72Å; V10-I146 CarbonylContact C-O 3.5Å; V10-I146 WeakPolarHBondContact CA-O 3.22Å; V10-T147 HydrophobicContact CG2-CG2 4.06Å |
| 11 | Q | 95.7 | Very high | 86.5 | Confident | 81 Ų | 81 | 39 Ų | 39 | 38% | 0.379 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123 | 166.3 | -56.8 | -176.1 | -1.5 | 0 | 0 | 109.1 | T57 T59 T145 I146 | Q11-T57 HydrophobicContact CB-CG2 3.99Å; Q11-T59 HydrophobicContact CG-CG2 4.26Å; Q11-T145 CarbonylContact O-C 3.5Å; Q11-T145 VanDerWaalsContact O-CA 3.29Å; Q11-T145 WeakPolarHBondContact O-CA 3.05Å; Q11-I146 HydrophobicContact CB-CB 4.13Å; Q11-I146 PolarHBondContact N-O 2.76Å; Q11-I146 PolarHBondContact O-N 3.07Å |
| 12 | F | 95.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 104.3 | 178.6 | -159.9 | -75.9 | 0 | 0 | 0 | 109.1 | V14 I34 T57 L58 F60 I82 I84 F109 M141 F143 T145 | F12-V14 HydrophobicContact CD1-CG2 3.64Å; F12-V14 HydrophobicContact CE1-CG2 3.76Å; F12-I34 HydrophobicContact CD1-CD1 3.65Å; F12-I34 HydrophobicContact CE1-CD1 3.67Å; F12-I34 HydrophobicContact CG-CD1 4.3Å; F12-I34 HydrophobicContact CZ-CD1 4.3Å; F12-T57 WeakPolarHBondContact O-CA 3.46Å; F12-L58 HydrophobicContact CB-CB 4.44Å; F12-L58 WeakPolarHBondContact CB-O 3.41Å; F12-L58 PolarHBondContact N-O 3.5Å; F12-L58 PolarHBondContact O-N 3.08Å; F12-F60 HydrophobicContact CB-CD2 4.46Å; F12-F60 HydrophobicContact CB-CE2 4.1Å; F12-I82 HydrophobicContact CD2-CD1 4.42Å; F12-I82 HydrophobicContact CE2-CD1 3.86Å; F12-I84 HydrophobicContact CZ-CD1 4.08Å; F12-F109 HydrophobicContact CD2-CE1 4.44Å; F12-F109 AromaticContact CE2-CE1 3.56Å; F12-F109 HydrophobicContact CE2-CE1 3.56Å; F12-F109 AromaticContact CE2-CZ 3.51Å; F12-F109 HydrophobicContact CE2-CZ 3.51Å; F12-F109 HydrophobicContact CZ-CE1 4.35Å; F12-F109 AromaticContact CZ-CZ 3.86Å; F12-F109 HydrophobicContact CZ-CZ 3.86Å; F12-M141 HydrophobicContact CE1-CE 3.47Å; F12-M141 VanDerWaalsContact CE1-CE 3.47Å; F12-M141 HydrophobicContact CZ-CE 3.46Å; F12-M141 VanDerWaalsContact CZ-CE 3.46Å; F12-F143 HydrophobicContact CE1-CB 3.81Å; F12-F143 HydrophobicContact CE1-CD2 4.03Å; F12-F143 AromaticContact CE1-CG 3.95Å; F12-F143 HydrophobicContact CE1-CG 3.95Å; F12-F143 AromaticContact CE2-CD2 3.98Å; F12-F143 HydrophobicContact CE2-CD2 3.98Å; F12-F143 HydrophobicContact CE2-CE2 4.19Å; F12-F143 HydrophobicContact CZ-CB 4.15Å; F12-F143 HydrophobicContact CZ-CD1 4.35Å; F12-F143 AromaticContact CZ-CD2 3.55Å; F12-F143 HydrophobicContact CZ-CD2 3.55Å; F12-F143 HydrophobicContact CZ-CE2 4.03Å; F12-F143 AromaticContact CZ-CG 3.75Å; F12-F143 HydrophobicContact CZ-CG 3.75Å; F12-T145 HydrophobicContact CD2-CG2 3.95Å; F12-T145 HydrophobicContact CE2-CG2 4.1Å |
| 13 | I | 97.5 | Very high | 89.3 | Confident | 36 Ų | 36 | 33.1 Ų | 33.1 | 19% | 0.185 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 104.4 | -177.1 | -50.7 | 172 | 0 | 0 | 0 | 107.8 | T57 F143 T144 I146 | I13-T57 HydrophobicContact CG1-CG2 4.05Å; I13-F143 CarbonylContact O-C 3.59Å; I13-F143 WeakPolarHBondContact O-CA 3.48Å; I13-F143 VanDerWaalsContact O-CB 3.26Å; I13-F143 WeakPolarHBondContact O-CB 3.36Å; I13-T144 HydrophobicContact CD1-CG2 4.47Å; I13-T144 PolarHBondContact N-O 3.33Å; I13-T144 PolarHBondContact O-N 3.49Å; I13-I146 HydrophobicContact CD1-CD1 3.96Å; I13-I146 HydrophobicContact CD1-CG1 4.26Å |
| 14 | V | 97.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 117.3 | 177.1 | -171.1 | 0 | 0 | 0 | 0 | 108.6 | F12 L32 I34 I54 N55 E56 M141 | F12-V14 HydrophobicContact CD1-CG2 3.64Å; F12-V14 HydrophobicContact CE1-CG2 3.76Å; V14-L32 HydrophobicContact CB-CD1 4.43Å; V14-L32 HydrophobicContact CG1-CD1 3.67Å; V14-L32 HydrophobicContact CG2-CD1 4.01Å; V14-I34 HydrophobicContact CG2-CD1 4Å; V14-I54 HydrophobicContact CB-CB 4.41Å; V14-I54 HydrophobicContact CB-CG2 3.94Å; V14-I54 HydrophobicContact CG1-CB 4.1Å; V14-I54 HydrophobicContact CG1-CD1 3.81Å; V14-I54 HydrophobicContact CG1-CG2 4.05Å; V14-N55 CarbonylContact O-C 3.36Å; V14-N55 WeakPolarHBondContact O-CA 3.34Å; V14-N55 PolarHBondContact O-N 3.49Å; V14-E56 PolarHBondContact N-O 3.4Å; V14-E56 PolarHBondContact O-N 2.83Å; V14-M141 HydrophobicContact CG1-CG 4.39Å; V14-M141 HydrophobicContact CG1-SD 4.45Å |
| 15 | H | 97.8 | Very high | 90.8 | Very high | 46 Ų | 46 | 36.2 Ų | 36.2 | 21% | 0.213 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -60 | 178.2 | -58 | -58.3 | 0 | 0 | 0 | 110.4 | I54 N55 K142 F143 T144 | H15-I54 PolarHBondContact O-N 2.89Å; H15-N55 PolarHBondContact O-N 3.23Å; H15-N55 VanDerWaalsContact O-N 3.14Å; H15-N55 PolarHBondContact O-OD1 3.09Å; H15-K142 HydrophobicContact CB-CB 4.36Å; H15-K142 WeakPolarHBondContact CB-O 3.47Å; H15-K142 PolarHBondContact N-O 3.01Å; H15-F143 VanDerWaalsContact CD2-CA 3.5Å; H15-F143 WeakPolarHBondContact CD2-CA 3.36Å; H15-T144 PolarHBondContact NE2-OG1 2.75Å |
| 16 | C | 97.3 | Very high | 91 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 12% | 0.115 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 163.3 | -178.2 | 66.9 | 0 | 0 | 0 | 0 | 114.1 | L52 L53 M141 K142 | C16-L52 CarbonylContact C-O 3.56Å; C16-L52 WeakPolarHBondContact CA-O 3.48Å; C16-L52 VanDerWaalsContact CB-O 3.28Å; C16-L52 WeakPolarHBondContact CB-O 3.41Å; C16-L53 HydrophobicContact CB-CD2 4.17Å; C16-M141 WeakPolarHBondContact O-CA 3.32Å; C16-K142 PolarHBondContact N-O 2.84Å; C16-K142 PolarHBondContact O-N 2.81Å |
| 17 | I | 97 | Very high | 91.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 128.4 | 166.3 | -61.9 | 177.2 | 0 | 0 | 0 | 109.1 | L32 F50 P51 L52 I54 L86 I139 R140 M141 | I17-L32 HydrophobicContact CD1-CD1 3.84Å; I17-L32 HydrophobicContact CD1-CD2 3.53Å; I17-L32 HydrophobicContact CD1-CG 3.62Å; I17-L32 HydrophobicContact CG1-CD1 4.48Å; I17-F50 HydrophobicContact CG2-CD1 4.3Å; I17-F50 HydrophobicContact CG2-CE1 3.78Å; I17-P51 CarbonylContact O-C 3.5Å; I17-P51 VanDerWaalsContact O-CA 3.3Å; I17-P51 WeakPolarHBondContact O-CA 3.36Å; I17-L52 HydrophobicContact CB-CB 4.19Å; I17-L52 HydrophobicContact CB-CD1 4.15Å; I17-L52 HydrophobicContact CB-CG 4.43Å; I17-L52 HydrophobicContact CD1-CD1 4.3Å; I17-L52 HydrophobicContact CG2-CD1 4.44Å; I17-L52 PolarHBondContact N-O 2.62Å; I17-L52 PolarHBondContact O-N 3.24Å; I17-I54 HydrophobicContact CD1-CD1 3.83Å; I17-I54 HydrophobicContact CG1-CD1 3.91Å; I17-L86 HydrophobicContact CD1-CD1 3.85Å; I17-I139 HydrophobicContact CG2-CG2 3.22Å; I17-R140 CarbonylContact C-O 3.51Å; I17-R140 VanDerWaalsContact CA-O 3.32Å; I17-R140 WeakPolarHBondContact CA-O 3.31Å; I17-M141 HydrophobicContact CG1-CB 4.46Å; I17-M141 HydrophobicContact CG1-CG 4.14Å |
| 18 | C | 96.6 | Very high | 91.6 | Very high | 23 Ų | 23 | 44 Ų | 44 | 16% | 0.155 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.6 | -178.3 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | R140 | C18-R140 HydrophobicContact CB-CB 4.37Å; C18-R140 PolarHBondContact N-O 3.32Å; C18-R140 PolarHBondContact O-N 3.42Å |
| 19 | A | 94.8 | Very high | 92 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | trans | -141.9 | 75.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | T22 F50 F134 I139 | A19-T22 WeakPolarHBondContact CB-OG1 3.36Å; A19-T22 WeakPolarHBondContact O-CB 3.48Å; A19-T22 PolarHBondContact O-N 3.25Å; A19-T22 PolarHBondContact O-OG1 3.43Å; A19-F50 HydrophobicContact CB-CD1 3.73Å; A19-F50 HydrophobicContact CB-CD2 4.22Å; A19-F50 HydrophobicContact CB-CE1 3.87Å; A19-F50 HydrophobicContact CB-CE2 4.35Å; A19-F50 HydrophobicContact CB-CG 3.91Å; A19-F50 HydrophobicContact CB-CZ 4.19Å; A19-F134 HydrophobicContact CB-CE1 4.32Å; A19-F134 HydrophobicContact CB-CZ 3.66Å; A19-I139 HydrophobicContact CB-CG1 4.06Å | ||
| 20 | P | 87.5 | Confident | 92.2 | Very high | 84 Ų | 84 | 46.7 Ų | 46.7 | 55% | 0.545 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 140.4 | -168.5 | 25.4 | -34.6 | 0 | 0 | 0 | 111.9 | T22 P137 | P20-T22 PolarHBondContact O-N 3.25Å; P20-P137 WeakPolarHBondContact O-CG 3.12Å |
| 21 | G | 84.7 | Confident | 92.4 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 61% | 0.608 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 1.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | R23 | G21-R23 PolarHBondContact O-N 3.29Š|
| 22 | T | 88.4 | Confident | 92.5 | Very high | 19 Ų | 19 | 43.7 Ų | 43.7 | 12% | 0.117 | 25% | 0.248 | C | C | . | . | trans | -70.9 | 130.6 | 175 | -52 | 0 | 0 | 0 | 0 | 110.5 | A19 P20 L24 F50 F134 P137 | A19-T22 WeakPolarHBondContact CB-OG1 3.36Å; A19-T22 WeakPolarHBondContact O-CB 3.48Å; A19-T22 PolarHBondContact O-N 3.25Å; A19-T22 PolarHBondContact O-OG1 3.43Å; P20-T22 PolarHBondContact O-N 3.25Å; T22-L24 HydrophobicContact CG2-CD2 3.91Å; T22-L24 HydrophobicContact CG2-CG 4.32Å; T22-F50 HydrophobicContact CG2-CE2 4.31Å; T22-F134 HydrophobicContact CG2-CE1 4.19Å; T22-F134 HydrophobicContact CG2-CE2 3.74Å; T22-F134 HydrophobicContact CG2-CZ 3.49Å; T22-F134 VanDerWaalsContact CG2-CZ 3.49Å; T22-P137 WeakPolarHBondContact OG1-CD 3.49Å | ||
| 23 | R | 84 | Confident | 92.5 | Very high | 164 Ų | 164 | 45.4 Ų | 45.4 | 62% | 0.619 | 26% | 0.257 | S | S | * | . | trans | -115 | 117.5 | 161.3 | -67.3 | -177.6 | 175.8 | 178.6 | -2.9 | 107.9 | G21 | G21-R23 PolarHBondContact O-N 3.29Š| ||
| 24 | L | 87.3 | Confident | 92.5 | Very high | 28 Ų | 28 | 43.7 Ų | 43.7 | 15% | 0.147 | 25% | 0.249 | C | C | . | . | trans | -78.2 | 148.5 | 172.2 | -63.8 | -177.6 | 0 | 0 | 0 | 109.1 | T22 S26 L30 P48 F50 L99 F134 | T22-L24 HydrophobicContact CG2-CD2 3.91Å; T22-L24 HydrophobicContact CG2-CG 4.32Å; L24-S26 PolarHBondContact O-N 3.02Å; L24-L30 HydrophobicContact CD1-CD1 3.74Å; L24-L30 HydrophobicContact CD1-CD2 3.86Å; L24-L30 HydrophobicContact CD1-CG 4.31Å; L24-P48 HydrophobicContact CD1-CB 3.93Å; L24-F50 HydrophobicContact CD1-CE2 4.42Å; L24-L99 HydrophobicContact CD1-CD1 3.92Å; L24-F134 HydrophobicContact CD2-CD2 3.77Å; L24-F134 HydrophobicContact CD2-CE2 3.8Å | ||
| 25 | S | 84 | Confident | 92.5 | Very high | 128 Ų | 128 | 46.4 Ų | 46.4 | 90% | 0.895 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -71.3 | -18.1 | 176.8 | 54.3 | 0 | 0 | 0 | 0 | 113 | ||
| 26 | S | 85.6 | Confident | 92.3 | Very high | 16 Ų | 16 | 44.2 Ų | 44.2 | 11% | 0.112 | 25% | 0.251 | C | S | . | . | trans | -113 | 141.8 | -177.7 | 57.6 | 0 | 0 | 0 | 0 | 110.8 | L24 N28 E88 | L24-S26 PolarHBondContact O-N 3.02Å; S26-N28 PolarHBondContact O-N 3.19Å; S26-E88 WeakPolarHBondContact CB-OE1 3.36Å; S26-E88 PolarHBondContact OG-OE1 2.91Å; S26-E88 PolarHBondContact OG-OE2 2.84Å | ||
| 27 | D | 88.6 | Confident | 92 | Very high | 146 Ų | 146 | 43.6 Ų | 43.6 | 78% | 0.781 | 25% | 0.247 | S | C | * | . | trans | -85.8 | 10.8 | 169.8 | -63.2 | -35.9 | 0 | 0 | 0 | 112.9 | ||||
| 28 | N | 92.5 | Very high | 91.5 | Very high | 49 Ų | 49 | 48 Ų | 48 | 26% | 0.262 | 27% | 0.27 | S | S | . | . | trans | -63.4 | 145.3 | 179.1 | -72.9 | -25.2 | 0 | 0 | 0 | 111.3 | S26 P48 E88 D89 | S26-N28 PolarHBondContact O-N 3.19Å; N28-P48 WeakPolarHBondContact O-CD 3.12Å; N28-P48 WeakPolarHBondContact O-CG 3.15Å; N28-E88 HydrophobicContact CB-CG 3.5Å; N28-E88 VanDerWaalsContact CB-CG 3.5Å; N28-E88 PolarHBondContact ND2-OE1 3.49Å; N28-D89 PolarHBondContact ND2-O 3.01Å | ||
| 29 | H | 94.8 | Very high | 91.3 | Very high | 84 Ų | 84 | 48.9 Ų | 48.9 | 39% | 0.389 | 28% | 0.275 | S | S | . | . | trans | -65.8 | 152.3 | 177.7 | -69.3 | 73.8 | 0 | 0 | 0 | 111.1 | F46 D89 | H29-F46 CarbonylContact C-O 3.52Å; H29-F46 WeakPolarHBondContact CA-O 3.32Å; H29-F46 WeakPolarHBondContact CB-O 3.32Å; H29-D89 HydrophobicContact CB-CB 4.35Å; H29-D89 WeakPolarHBondContact O-CB 3.42Å; H29-D89 PolarHBondContact O-N 2.98Å | ||
| 30 | L | 95.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 150.7 | 178 | -54.5 | -176.4 | 0 | 0 | 0 | 110.5 | L24 S45 F46 P48 F50 L52 L86 C87 E88 L99 | L24-L30 HydrophobicContact CD1-CD1 3.74Å; L24-L30 HydrophobicContact CD1-CD2 3.86Å; L24-L30 HydrophobicContact CD1-CG 4.31Å; L30-S45 CarbonylContact O-C 3.55Å; L30-S45 WeakPolarHBondContact O-CA 3.26Å; L30-F46 PolarHBondContact N-O 3.5Å; L30-F46 PolarHBondContact O-N 2.93Å; L30-P48 HydrophobicContact CD1-CB 4.01Å; L30-P48 HydrophobicContact CD2-CB 4.45Å; L30-P48 HydrophobicContact CG-CB 3.98Å; L30-F50 HydrophobicContact CD1-CE2 4.2Å; L30-F50 HydrophobicContact CD1-CZ 3.87Å; L30-L52 HydrophobicContact CB-CD1 4.15Å; L30-L52 HydrophobicContact CD1-CD1 3.81Å; L30-L52 HydrophobicContact CD1-CD2 4.16Å; L30-L86 HydrophobicContact CB-CD1 4.19Å; L30-C87 CarbonylContact C-O 3.49Å; L30-C87 VanDerWaalsContact CA-O 3.3Å; L30-C87 WeakPolarHBondContact CA-O 3.37Å; L30-E88 HydrophobicContact CD2-CB 4.06Å; L30-E88 HydrophobicContact CD2-CG 4.13Å; L30-L99 HydrophobicContact CD1-CD1 4.42Å; L30-L99 HydrophobicContact CD2-CD1 3.57Å |
| 31 | Y | 97 | Very high | 91.8 | Very high | 17 Ų | 17 | 52.6 Ų | 52.6 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 159.3 | 172.7 | 63.9 | -91.7 | 0 | 0 | 0 | 110.9 | L33 R42 G44 C87 D89 V96 | Y31-L33 HydrophobicContact CE2-CB 4.44Å; Y31-R42 HydrophobicContact CD2-CG 3.32Å; Y31-R42 HydrophobicContact CE2-CG 3.81Å; Y31-R42 HydrophobicContact CG-CG 3.98Å; Y31-G44 WeakPolarHBondContact CB-O 3.33Å; Y31-C87 HydrophobicContact CD1-CB 4.29Å; Y31-C87 HydrophobicContact CD2-CB 4.08Å; Y31-C87 HydrophobicContact CE1-CB 3.81Å; Y31-C87 HydrophobicContact CE2-CB 3.6Å; Y31-C87 HydrophobicContact CG-CB 4.44Å; Y31-C87 VanDerWaalsContact CZ-CB 3.46Å; Y31-C87 PolarHBondContact N-O 2.95Å; Y31-C87 PolarHBondContact O-N 3.35Å; Y31-D89 HydrophobicContact CE1-CB 4.42Å; Y31-V96 VanDerWaalsContact OH-CG1 3.24Å; Y31-V96 WeakPolarHBondContact OH-CG1 3.38Å |
| 32 | L | 97.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 140.3 | 169 | -79.5 | -179.7 | 0 | 0 | 0 | 111 | V14 I17 I34 R42 T43 I54 I84 Q85 L86 M141 | V14-L32 HydrophobicContact CB-CD1 4.43Å; V14-L32 HydrophobicContact CG1-CD1 3.67Å; V14-L32 HydrophobicContact CG2-CD1 4.01Å; I17-L32 HydrophobicContact CD1-CD1 3.84Å; I17-L32 HydrophobicContact CD1-CD2 3.53Å; I17-L32 HydrophobicContact CD1-CG 3.62Å; I17-L32 HydrophobicContact CG1-CD1 4.48Å; L32-I34 HydrophobicContact CB-CG1 4.47Å; L32-I34 HydrophobicContact CD1-CD1 4.47Å; L32-R42 VanDerWaalsContact O-CA 3.27Å; L32-R42 WeakPolarHBondContact O-CA 3.36Å; L32-T43 HydrophobicContact CB-CG2 3.75Å; L32-T43 HydrophobicContact CD1-CG2 4.43Å; L32-T43 PolarHBondContact N-OG1 3.36Å; L32-T43 PolarHBondContact O-N 2.96Å; L32-I54 HydrophobicContact CD1-CD1 3.87Å; L32-I54 HydrophobicContact CG-CD1 4.2Å; L32-I84 HydrophobicContact CD2-CG2 3.95Å; L32-Q85 CarbonylContact C-O 3.56Å; L32-Q85 WeakPolarHBondContact CA-O 3.34Å; L32-Q85 WeakPolarHBondContact CD2-O 3.41Å; L32-L86 HydrophobicContact CD2-CB 4.2Å; L32-L86 HydrophobicContact CD2-CD1 4.34Å; L32-M141 HydrophobicContact CD1-SD 3.96Å |
| 33 | L | 97.4 | Very high | 92.8 | Very high | 36 Ų | 36 | 52.8 Ų | 52.8 | 19% | 0.188 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 118.6 | 166.9 | -167.9 | 70.7 | 0 | 0 | 0 | 108 | Y31 L40 R42 I84 Q85 | Y31-L33 HydrophobicContact CE2-CB 4.44Å; L33-L40 HydrophobicContact CD1-CD1 3.86Å; L33-L40 HydrophobicContact CD1-CD2 3.83Å; L33-L40 HydrophobicContact CD1-CG 3.62Å; L33-L40 HydrophobicContact CD2-CD1 3.85Å; L33-L40 HydrophobicContact CD2-CD2 4.13Å; L33-L40 HydrophobicContact CD2-CG 4.3Å; L33-L40 HydrophobicContact CG-CD1 3.57Å; L33-L40 HydrophobicContact CG-CD2 4.25Å; L33-L40 HydrophobicContact CG-CG 3.94Å; L33-R42 HydrophobicContact CD1-CB 4.3Å; L33-I84 CarbonylContact O-C 3.58Å; L33-I84 WeakPolarHBondContact O-CA 3.24Å; L33-Q85 HydrophobicContact CB-CB 4.33Å; L33-Q85 PolarHBondContact N-O 2.91Å; L33-Q85 PolarHBondContact O-N 2.84Å |
| 34 | I | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.7 | -179.9 | -53.6 | -169.3 | 0 | 0 | 0 | 108.8 | F12 V14 L32 K41 L58 F60 N83 I84 | F12-I34 HydrophobicContact CD1-CD1 3.65Å; F12-I34 HydrophobicContact CE1-CD1 3.67Å; F12-I34 HydrophobicContact CG-CD1 4.3Å; F12-I34 HydrophobicContact CZ-CD1 4.3Å; V14-I34 HydrophobicContact CG2-CD1 4Å; L32-I34 HydrophobicContact CB-CG1 4.47Å; L32-I34 HydrophobicContact CD1-CD1 4.47Å; I34-K41 PolarHBondContact N-O 2.66Å; I34-K41 PolarHBondContact O-N 3.43Å; I34-L58 HydrophobicContact CB-CD1 4.23Å; I34-L58 HydrophobicContact CD1-CD1 3.97Å; I34-L58 HydrophobicContact CG1-CD1 4.13Å; I34-F60 HydrophobicContact CB-CZ 3.93Å; I34-F60 HydrophobicContact CG2-CE2 4.06Å; I34-F60 HydrophobicContact CG2-CZ 3.66Å; I34-N83 CarbonylContact C-O 3.56Å; I34-N83 WeakPolarHBondContact CA-O 3.33Å; I34-I84 HydrophobicContact CD1-CG1 4.49Å; I34-I84 HydrophobicContact CG1-CG1 4.28Å; I34-I84 HydrophobicContact CG1-CG2 4.29Å; I34-I84 HydrophobicContact CG2-CG1 4.18Å |
| 35 | E | 96.7 | Very high | 93.7 | Very high | 57 Ų | 57 | 46.9 Ų | 46.9 | 27% | 0.266 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 126 | 175.5 | -166.9 | -176.7 | -165.7 | 0 | 0 | 109.8 | T39 L40 I82 N83 | E35-T39 WeakPolarHBondContact CA-O 3.47Å; E35-L40 HydrophobicContact CB-CD1 3.67Å; E35-L40 HydrophobicContact CG-CD1 4.04Å; E35-I82 WeakPolarHBondContact O-CA 3.28Å; E35-N83 HydrophobicContact CB-CB 4.05Å; E35-N83 PolarHBondContact N-O 3.29Å; E35-N83 PolarHBondContact O-N 2.79Å; E35-N83 PolarHBondContact OE2-ND2 3.13Å |
| 36 | L | 94.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 138 | 173 | -178.5 | 66 | 0 | 0 | 0 | 108.8 | V10 N38 T39 F60 I82 A106 F110 | V10-L36 HydrophobicContact CB-CD2 4.07Å; V10-L36 HydrophobicContact CG1-CD2 3.95Å; V10-L36 HydrophobicContact CG2-CD2 4.24Å; L36-N38 VanDerWaalsContact C-N 3.3Å; L36-N38 PolarHBondContact O-N 3.4Å; L36-T39 PolarHBondContact N-O 3.18Å; L36-T39 WeakPolarHBondContact O-CA 3.14Å; L36-T39 WeakPolarHBondContact O-CB 3.33Å; L36-T39 PolarHBondContact O-N 3.22Å; L36-F60 HydrophobicContact CB-CB 4.42Å; L36-F60 HydrophobicContact CB-CD1 3.74Å; L36-F60 HydrophobicContact CB-CD2 4.42Å; L36-F60 HydrophobicContact CB-CE1 4.06Å; L36-F60 HydrophobicContact CB-CG 3.94Å; L36-F60 HydrophobicContact CD2-CB 3.98Å; L36-F60 HydrophobicContact CD2-CD2 4.2Å; L36-F60 HydrophobicContact CD2-CG 4.05Å; L36-F60 HydrophobicContact CG-CB 4.46Å; L36-F60 HydrophobicContact CG-CG 4.44Å; L36-I82 HydrophobicContact CD1-CB 4.15Å; L36-I82 HydrophobicContact CD1-CG1 4.45Å; L36-A106 HydrophobicContact CD1-CB 4.17Å; L36-F110 HydrophobicContact CD1-CE2 3.87Å; L36-F110 HydrophobicContact CD1-CZ 4.36Å; L36-F110 HydrophobicContact CD2-CE2 3.89Å; L36-F110 HydrophobicContact CD2-CZ 3.65Å |
| 37 | F | 91.2 | Very high | 94.5 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 42.6 | -176.1 | -43.4 | -48.3 | 0 | 0 | 0 | 113.4 | V10 T39 F60 A62 F64 F77 | V10-F37 HydrophobicContact CB-CE2 4.43Å; V10-F37 HydrophobicContact CG2-CE2 3.88Å; V10-F37 HydrophobicContact CG2-CZ 3.94Å; F37-T39 PolarHBondContact O-N 3.11Å; F37-T39 PolarHBondContact O-OG1 2.99Å; F37-F60 HydrophobicContact CD2-CB 4.04Å; F37-F60 HydrophobicContact CE2-CB 4.19Å; F37-A62 HydrophobicContact CB-CB 3.78Å; F37-A62 HydrophobicContact CD1-CB 4.04Å; F37-A62 HydrophobicContact CD2-CB 3.47Å; F37-A62 VanDerWaalsContact CD2-CB 3.47Å; F37-A62 HydrophobicContact CE2-CB 4.06Å; F37-A62 HydrophobicContact CG-CB 3.49Å; F37-A62 VanDerWaalsContact CG-CB 3.49Å; F37-F64 HydrophobicContact CD1-CZ 4.09Å; F37-F64 AromaticContact CE1-CZ 3.89Å; F37-F64 HydrophobicContact CE1-CZ 3.89Å; F37-F77 AromaticContact CE1-CD1 3.73Å; F37-F77 HydrophobicContact CE1-CD1 3.73Å; F37-F77 AromaticContact CE1-CE1 3.73Å; F37-F77 HydrophobicContact CE1-CE1 3.73Å; F37-F77 AromaticContact CZ-CD1 3.97Å; F37-F77 HydrophobicContact CZ-CD1 3.97Å; F37-F77 AromaticContact CZ-CE1 3.46Å; F37-F77 HydrophobicContact CZ-CE1 3.46Å; F37-F77 VanDerWaalsContact CZ-CE1 3.46Å; F37-F77 HydrophobicContact CZ-CZ 4.42Å |
| 38 | N | 86.1 | Confident | 94.7 | Very high | 93 Ų | 93 | 41.7 Ų | 41.7 | 50% | 0.497 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 13.4 | -172.4 | -86.4 | -5.1 | 0 | 0 | 0 | 114.7 | L36 Y167 | L36-N38 VanDerWaalsContact C-N 3.3Å; L36-N38 PolarHBondContact O-N 3.4Å; N38-Y167 HydrophobicContact CB-CE2 3.73Å; N38-Y167 WeakPolarHBondContact ND2-CE1 3.28Å; N38-Y167 PolarHBondContact ND2-OH 2.97Å; N38-Y167 VanDerWaalsContact ND2-OH 3.07Å; N38-Y167 PolarHBondContact OD1-OH 2.93Å |
| 39 | T | 92.4 | Very high | 94.6 | Very high | 42 Ų | 42 | 43.8 Ų | 43.8 | 26% | 0.258 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 121.2 | 175.3 | -58.2 | 0 | 0 | 0 | 0 | 107.8 | E35 L36 F37 K41 F60 | E35-T39 WeakPolarHBondContact CA-O 3.47Å; L36-T39 PolarHBondContact N-O 3.18Å; L36-T39 WeakPolarHBondContact O-CA 3.14Å; L36-T39 WeakPolarHBondContact O-CB 3.33Å; L36-T39 PolarHBondContact O-N 3.22Å; F37-T39 PolarHBondContact O-N 3.11Å; F37-T39 PolarHBondContact O-OG1 2.99Å; T39-K41 HydrophobicContact CG2-CG 4.27Å; T39-F60 HydrophobicContact CG2-CD1 4.28Å; T39-F60 VanDerWaalsContact O-CE1 3.31Å; T39-F60 WeakPolarHBondContact O-CE1 3.46Å |
| 40 | L | 95.4 | Very high | 94.5 | Very high | 88 Ų | 88 | 41.3 Ų | 41.3 | 46% | 0.461 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 126.5 | 179.1 | -166.1 | 71.1 | 0 | 0 | 0 | 109.4 | L33 E35 | L33-L40 HydrophobicContact CD1-CD1 3.86Å; L33-L40 HydrophobicContact CD1-CD2 3.83Å; L33-L40 HydrophobicContact CD1-CG 3.62Å; L33-L40 HydrophobicContact CD2-CD1 3.85Å; L33-L40 HydrophobicContact CD2-CD2 4.13Å; L33-L40 HydrophobicContact CD2-CG 4.3Å; L33-L40 HydrophobicContact CG-CD1 3.57Å; L33-L40 HydrophobicContact CG-CD2 4.25Å; L33-L40 HydrophobicContact CG-CG 3.94Å; E35-L40 HydrophobicContact CB-CD1 3.67Å; E35-L40 HydrophobicContact CG-CD1 4.04Å |
| 41 | K | 97.2 | Very high | 94.5 | Very high | 74 Ų | 74 | 44.8 Ų | 44.8 | 32% | 0.322 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 147.2 | 175.7 | -65.1 | -164.5 | 168.6 | -154.4 | 0 | 111.2 | I34 T39 L58 T59 F60 | I34-K41 PolarHBondContact N-O 2.66Å; I34-K41 PolarHBondContact O-N 3.43Å; T39-K41 HydrophobicContact CG2-CG 4.27Å; K41-L58 HydrophobicContact CB-CD1 4.13Å; K41-L58 HydrophobicContact CB-CD2 4.28Å; K41-L58 HydrophobicContact CD-CB 4.42Å; K41-T59 WeakPolarHBondContact CE-O 3.31Å; K41-T59 PolarHBondContact NZ-O 3.37Å; K41-F60 HydrophobicContact CB-CE1 3.95Å; K41-F60 HydrophobicContact CB-CZ 3.83Å; K41-F60 HydrophobicContact CD-CD1 4.32Å; K41-F60 HydrophobicContact CD-CE1 3.99Å; K41-F60 HydrophobicContact CD-CZ 4.11Å; K41-F60 HydrophobicContact CG-CD1 4.38Å; K41-F60 HydrophobicContact CG-CE1 3.72Å; K41-F60 HydrophobicContact CG-CZ 4.02Å |
| 42 | R | 95.9 | Very high | 94.4 | Very high | 79 Ų | 79 | 44.1 Ų | 44.1 | 30% | 0.298 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 141.1 | -179.4 | -167.9 | -165.3 | 155.5 | 157 | -2.9 | 109.7 | Y31 L32 L33 S45 D89 | Y31-R42 HydrophobicContact CD2-CG 3.32Å; Y31-R42 HydrophobicContact CE2-CG 3.81Å; Y31-R42 HydrophobicContact CG-CG 3.98Å; L32-R42 VanDerWaalsContact O-CA 3.27Å; L32-R42 WeakPolarHBondContact O-CA 3.36Å; L33-R42 HydrophobicContact CD1-CB 4.3Å; R42-S45 PolarHBondContact NH2-OG 3.2Å; R42-D89 IonicContact CZ-OD2 3.43Å; R42-D89 IonicContact NH1-OD2 2.7Å; R42-D89 IonicContact NH2-OD2 3.89Å; R42-D89 PolarHBondContact NH2-OD2 2.98Å |
| 43 | T | 97.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | trans | -73.1 | 176 | 166.8 | 60.9 | 0 | 0 | 0 | 0 | 111.7 | L32 I54 E56 L58 | L32-T43 HydrophobicContact CB-CG2 3.75Å; L32-T43 HydrophobicContact CD1-CG2 4.43Å; L32-T43 PolarHBondContact N-OG1 3.36Å; L32-T43 PolarHBondContact O-N 2.96Å; T43-I54 HydrophobicContact CG2-CG2 4.08Å; T43-E56 WeakPolarHBondContact CA-OE2 3.49Å; T43-E56 WeakPolarHBondContact CB-OE2 3.08Å; T43-L58 HydrophobicContact CG2-CD1 4.1Å | ||
| 44 | G | 95.3 | Very high | 94.2 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 11% | 0.113 | 26% | 0.264 | C | S | . | . | trans | -54.4 | 170.6 | 158.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y31 F46 E56 | Y31-G44 WeakPolarHBondContact CB-O 3.33Å; G44-F46 VanDerWaalsContact O-CD2 3.26Å; G44-F46 WeakPolarHBondContact O-CD2 3.31Å; G44-F46 WeakPolarHBondContact O-CE2 3.38Å; G44-E56 WeakPolarHBondContact CA-OE1 3.48Å; G44-E56 VanDerWaalsContact N-CD 3.31Å; G44-E56 PolarHBondContact N-OE1 3.03Å; G44-E56 PolarHBondContact N-OE2 2.99Å | ||
| 45 | S | 94.6 | Very high | 94.1 | Very high | 58 Ų | 58 | 54.1 Ų | 54.1 | 41% | 0.406 | 29% | 0.293 | S | S | . | . | trans | -93.4 | 132.1 | 173.3 | -70.1 | 0 | 0 | 0 | 0 | 109.7 | L30 R42 | L30-S45 CarbonylContact O-C 3.55Å; L30-S45 WeakPolarHBondContact O-CA 3.26Å; R42-S45 PolarHBondContact NH2-OG 3.2Å | ||
| 46 | F | 95.1 | Very high | 94.2 | Very high | 36 Ų | 36 | 53.4 Ų | 53.4 | 16% | 0.158 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -120.4 | 147 | -176.1 | -59.7 | -85.6 | 0 | 0 | 0 | 110.2 | H29 L30 G44 L52 I54 E56 | H29-F46 CarbonylContact C-O 3.52Å; H29-F46 WeakPolarHBondContact CA-O 3.32Å; H29-F46 WeakPolarHBondContact CB-O 3.32Å; L30-F46 PolarHBondContact N-O 3.5Å; L30-F46 PolarHBondContact O-N 2.93Å; G44-F46 VanDerWaalsContact O-CD2 3.26Å; G44-F46 WeakPolarHBondContact O-CD2 3.31Å; G44-F46 WeakPolarHBondContact O-CE2 3.38Å; F46-L52 HydrophobicContact CB-CD2 4.31Å; F46-I54 HydrophobicContact CD1-CG1 4.5Å; F46-I54 HydrophobicContact CD2-CG1 4.13Å; F46-I54 HydrophobicContact CE1-CB 4.36Å; F46-I54 HydrophobicContact CE1-CG1 4.23Å; F46-I54 HydrophobicContact CE2-CB 4.3Å; F46-I54 HydrophobicContact CE2-CD1 4.42Å; F46-I54 HydrophobicContact CE2-CG1 3.83Å; F46-I54 HydrophobicContact CE2-CG2 3.93Å; F46-I54 HydrophobicContact CG-CG1 4.47Å; F46-I54 HydrophobicContact CZ-CB 3.96Å; F46-I54 HydrophobicContact CZ-CG1 3.92Å; F46-I54 HydrophobicContact CZ-CG2 3.67Å; F46-E56 HydrophobicContact CZ-CG 4.31Å |
| 47 | L | 93 | Very high | 94.3 | Very high | 115 Ų | 115 | 56.9 Ų | 56.9 | 60% | 0.602 | 31% | 0.311 | S | S | * | . | trans | -60.5 | 145.9 | 172.3 | -68.2 | 171.5 | 0 | 0 | 0 | 110 | C49 L52 | L47-C49 PolarHBondContact O-N 3.35Å; L47-L52 WeakPolarHBondContact O-CD2 3.45Å | ||
| 48 | P | 91.7 | Very high | 94.6 | Very high | 30 Ų | 30 | 57.4 Ų | 57.4 | 20% | 0.195 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -74.2 | 47.8 | -177.9 | 31.6 | -36.3 | 0 | 0 | 0 | 113.3 | L24 N28 L30 | L24-P48 HydrophobicContact CD1-CB 3.93Å; N28-P48 WeakPolarHBondContact O-CD 3.12Å; N28-P48 WeakPolarHBondContact O-CG 3.15Å; L30-P48 HydrophobicContact CD1-CB 4.01Å; L30-P48 HydrophobicContact CD2-CB 4.45Å; L30-P48 HydrophobicContact CG-CB 3.98Å |
| 49 | C | 90.9 | Very high | 95.1 | Very high | 93 Ų | 93 | 55.6 Ų | 55.6 | 63% | 0.628 | 31% | 0.307 | S | S | * | . | trans | -116.8 | 114.2 | -179.1 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | L47 P51 L52 | L47-C49 PolarHBondContact O-N 3.35Å; C49-P51 CarbonylContact O-C 3.6Å; C49-L52 WeakPolarHBondContact O-CD2 3.06Å | ||
| 50 | F | 93.1 | Very high | 95.2 | Very high | 32 Ų | 32 | 53.6 Ų | 53.6 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -87 | 139.6 | -179.6 | -68 | -85.6 | 0 | 0 | 0 | 111.7 | I17 A19 T22 L24 L30 L52 L86 F134 | I17-F50 HydrophobicContact CG2-CD1 4.3Å; I17-F50 HydrophobicContact CG2-CE1 3.78Å; A19-F50 HydrophobicContact CB-CD1 3.73Å; A19-F50 HydrophobicContact CB-CD2 4.22Å; A19-F50 HydrophobicContact CB-CE1 3.87Å; A19-F50 HydrophobicContact CB-CE2 4.35Å; A19-F50 HydrophobicContact CB-CG 3.91Å; A19-F50 HydrophobicContact CB-CZ 4.19Å; T22-F50 HydrophobicContact CG2-CE2 4.31Å; L24-F50 HydrophobicContact CD1-CE2 4.42Å; L30-F50 HydrophobicContact CD1-CE2 4.2Å; L30-F50 HydrophobicContact CD1-CZ 3.87Å; F50-L52 HydrophobicContact CD1-CD1 4.28Å; F50-L52 HydrophobicContact CD1-CG 3.83Å; F50-L52 HydrophobicContact CE1-CD1 3.65Å; F50-L52 HydrophobicContact CE1-CG 3.73Å; F50-L52 HydrophobicContact CZ-CD1 4.12Å; F50-L52 HydrophobicContact CZ-CG 4.38Å; F50-L86 HydrophobicContact CE1-CD2 4.48Å; F50-L86 HydrophobicContact CZ-CD2 4.26Å; F50-F134 HydrophobicContact CE2-CE2 4.19Å; F50-F134 HydrophobicContact CE2-CZ 4.48Å; F50-F134 HydrophobicContact CZ-CE2 4.04Å; F50-F134 HydrophobicContact CZ-CZ 4.38Å |
| 51 | P | 94.7 | Very high | 95.1 | Very high | 72 Ų | 72 | 56 Ų | 56 | 47% | 0.468 | 30% | 0.298 | S | S | . | . | S | Bend | cis | -74.6 | 138.5 | 2.2 | 31.8 | -35.4 | 0 | 0 | 0 | 112.9 | I17 C49 L53 | I17-P51 CarbonylContact O-C 3.5Å; I17-P51 VanDerWaalsContact O-CA 3.3Å; I17-P51 WeakPolarHBondContact O-CA 3.36Å; C49-P51 CarbonylContact O-C 3.6Å; P51-L53 HydrophobicContact CB-CD2 4.5Å; P51-L53 HydrophobicContact CG-CD2 4.33Å; P51-L53 PolarHBondContact O-N 2.85Å |
| 52 | L | 95.1 | Very high | 94.7 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 106.6 | 170.5 | -53.2 | 174.1 | 0 | 0 | 0 | 107.5 | C16 I17 L30 F46 L47 C49 F50 I54 L86 | C16-L52 CarbonylContact C-O 3.56Å; C16-L52 WeakPolarHBondContact CA-O 3.48Å; C16-L52 VanDerWaalsContact CB-O 3.28Å; C16-L52 WeakPolarHBondContact CB-O 3.41Å; I17-L52 HydrophobicContact CB-CB 4.19Å; I17-L52 HydrophobicContact CB-CD1 4.15Å; I17-L52 HydrophobicContact CB-CG 4.43Å; I17-L52 HydrophobicContact CD1-CD1 4.3Å; I17-L52 HydrophobicContact CG2-CD1 4.44Å; I17-L52 PolarHBondContact N-O 2.62Å; I17-L52 PolarHBondContact O-N 3.24Å; L30-L52 HydrophobicContact CB-CD1 4.15Å; L30-L52 HydrophobicContact CD1-CD1 3.81Å; L30-L52 HydrophobicContact CD1-CD2 4.16Å; F46-L52 HydrophobicContact CB-CD2 4.31Å; L47-L52 WeakPolarHBondContact O-CD2 3.45Å; C49-L52 WeakPolarHBondContact O-CD2 3.06Å; F50-L52 HydrophobicContact CD1-CD1 4.28Å; F50-L52 HydrophobicContact CD1-CG 3.83Å; F50-L52 HydrophobicContact CE1-CD1 3.65Å; F50-L52 HydrophobicContact CE1-CG 3.73Å; F50-L52 HydrophobicContact CZ-CD1 4.12Å; F50-L52 HydrophobicContact CZ-CG 4.38Å; L52-I54 HydrophobicContact CB-CG1 4.29Å; L52-I54 PolarHBondContact O-N 3.3Å; L52-L86 HydrophobicContact CD1-CD1 4.08Å |
| 53 | L | 95.5 | Very high | 94.2 | Very high | 119 Ų | 119 | 50.5 Ų | 50.5 | 62% | 0.623 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 103.3 | 174.3 | -58.2 | -179.3 | 0 | 0 | 0 | 108.5 | C16 P51 | C16-L53 HydrophobicContact CB-CD2 4.17Å; P51-L53 HydrophobicContact CB-CD2 4.5Å; P51-L53 HydrophobicContact CG-CD2 4.33Å; P51-L53 PolarHBondContact O-N 2.85Å |
| 54 | I | 96.1 | Very high | 93.3 | Very high | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.062 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -56.1 | -171.2 | -64.8 | 176.1 | 0 | 0 | 0 | 109.7 | V14 H15 I17 L32 T43 F46 L52 E56 | V14-I54 HydrophobicContact CB-CB 4.41Å; V14-I54 HydrophobicContact CB-CG2 3.94Å; V14-I54 HydrophobicContact CG1-CB 4.1Å; V14-I54 HydrophobicContact CG1-CD1 3.81Å; V14-I54 HydrophobicContact CG1-CG2 4.05Å; H15-I54 PolarHBondContact O-N 2.89Å; I17-I54 HydrophobicContact CD1-CD1 3.83Å; I17-I54 HydrophobicContact CG1-CD1 3.91Å; L32-I54 HydrophobicContact CD1-CD1 3.87Å; L32-I54 HydrophobicContact CG-CD1 4.2Å; T43-I54 HydrophobicContact CG2-CG2 4.08Å; F46-I54 HydrophobicContact CD1-CG1 4.5Å; F46-I54 HydrophobicContact CD2-CG1 4.13Å; F46-I54 HydrophobicContact CE1-CB 4.36Å; F46-I54 HydrophobicContact CE1-CG1 4.23Å; F46-I54 HydrophobicContact CE2-CB 4.3Å; F46-I54 HydrophobicContact CE2-CD1 4.42Å; F46-I54 HydrophobicContact CE2-CG1 3.83Å; F46-I54 HydrophobicContact CE2-CG2 3.93Å; F46-I54 HydrophobicContact CG-CG1 4.47Å; F46-I54 HydrophobicContact CZ-CB 3.96Å; F46-I54 HydrophobicContact CZ-CG1 3.92Å; F46-I54 HydrophobicContact CZ-CG2 3.67Å; L52-I54 HydrophobicContact CB-CG1 4.29Å; L52-I54 PolarHBondContact O-N 3.3Å; I54-E56 HydrophobicContact CG2-CB 3.81Å; I54-E56 HydrophobicContact CG2-CG 3.93Å; I54-E56 PolarHBondContact O-N 2.83Å; I54-E56 VanDerWaalsContact O-N 3.15Å |
| 55 | N | 95.2 | Very high | 92.4 | Very high | 114 Ų | 114 | 54 Ų | 54 | 61% | 0.61 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 46.1 | 39.7 | -177.8 | -61.6 | -31.9 | 0 | 0 | 0 | 113.9 | V14 H15 | V14-N55 CarbonylContact O-C 3.36Å; V14-N55 WeakPolarHBondContact O-CA 3.34Å; V14-N55 PolarHBondContact O-N 3.49Å; H15-N55 PolarHBondContact O-N 3.23Å; H15-N55 VanDerWaalsContact O-N 3.14Å; H15-N55 PolarHBondContact O-OD1 3.09Å |
| 56 | E | 97.6 | Very high | 91.2 | Very high | 43 Ų | 43 | 51.7 Ų | 51.7 | 20% | 0.201 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 146.3 | 179.4 | -68.5 | -168.2 | 178.3 | 0 | 0 | 111.3 | V14 T43 G44 F46 I54 R202 | V14-E56 PolarHBondContact N-O 3.4Å; V14-E56 PolarHBondContact O-N 2.83Å; T43-E56 WeakPolarHBondContact CA-OE2 3.49Å; T43-E56 WeakPolarHBondContact CB-OE2 3.08Å; G44-E56 WeakPolarHBondContact CA-OE1 3.48Å; G44-E56 VanDerWaalsContact N-CD 3.31Å; G44-E56 PolarHBondContact N-OE1 3.03Å; G44-E56 PolarHBondContact N-OE2 2.99Å; F46-E56 HydrophobicContact CZ-CG 4.31Å; I54-E56 HydrophobicContact CG2-CB 3.81Å; I54-E56 HydrophobicContact CG2-CG 3.93Å; I54-E56 PolarHBondContact O-N 2.83Å; I54-E56 VanDerWaalsContact O-N 3.15Å; E56-R202 IonicContact OE1-NH2 2.68Å |
| 57 | T | 97.5 | Very high | 89.6 | Confident | 72 Ų | 72 | 55.9 Ų | 55.9 | 44% | 0.442 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 123.9 | 175.7 | -58 | 0 | 0 | 0 | 0 | 110.7 | Q11 F12 I13 | Q11-T57 HydrophobicContact CB-CG2 3.99Å; F12-T57 WeakPolarHBondContact O-CA 3.46Å; I13-T57 HydrophobicContact CG1-CG2 4.05Å |
| 58 | L | 97.6 | Very high | 88 | Confident | 16 Ų | 16 | 56.7 Ų | 56.7 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 118.7 | 173.8 | -59.7 | 179.3 | 0 | 0 | 0 | 109.8 | F12 I34 K41 T43 F60 | F12-L58 HydrophobicContact CB-CB 4.44Å; F12-L58 WeakPolarHBondContact CB-O 3.41Å; F12-L58 PolarHBondContact N-O 3.5Å; F12-L58 PolarHBondContact O-N 3.08Å; I34-L58 HydrophobicContact CB-CD1 4.23Å; I34-L58 HydrophobicContact CD1-CD1 3.97Å; I34-L58 HydrophobicContact CG1-CD1 4.13Å; K41-L58 HydrophobicContact CB-CD1 4.13Å; K41-L58 HydrophobicContact CB-CD2 4.28Å; K41-L58 HydrophobicContact CD-CB 4.42Å; T43-L58 HydrophobicContact CG2-CD1 4.1Å; L58-F60 HydrophobicContact CB-CE2 3.76Å; L58-F60 HydrophobicContact CB-CZ 4.22Å |
| 59 | T | 96.5 | Very high | 86.1 | Confident | 54 Ų | 54 | 64 Ų | 64 | 33% | 0.331 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 124.2 | -179.6 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | V10 Q11 K41 | V10-T59 CarbonylContact O-C 3.58Å; V10-T59 WeakPolarHBondContact O-CA 3.14Å; Q11-T59 HydrophobicContact CG-CG2 4.26Å; K41-T59 WeakPolarHBondContact CE-O 3.31Å; K41-T59 PolarHBondContact NZ-O 3.37Å |
| 60 | F | 94.9 | Very high | 84.4 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 141.7 | 174.3 | -59.7 | -94.2 | 0 | 0 | 0 | 109.4 | D9 V10 F12 I34 L36 F37 T39 K41 L58 | D9-F60 WeakPolarHBondContact CA-O 3.43Å; V10-F60 HydrophobicContact CB-CB 4.43Å; V10-F60 PolarHBondContact N-O 2.84Å; V10-F60 PolarHBondContact O-N 3.08Å; F12-F60 HydrophobicContact CB-CD2 4.46Å; F12-F60 HydrophobicContact CB-CE2 4.1Å; I34-F60 HydrophobicContact CB-CZ 3.93Å; I34-F60 HydrophobicContact CG2-CE2 4.06Å; I34-F60 HydrophobicContact CG2-CZ 3.66Å; L36-F60 HydrophobicContact CB-CB 4.42Å; L36-F60 HydrophobicContact CB-CD1 3.74Å; L36-F60 HydrophobicContact CB-CD2 4.42Å; L36-F60 HydrophobicContact CB-CE1 4.06Å; L36-F60 HydrophobicContact CB-CG 3.94Å; L36-F60 HydrophobicContact CD2-CB 3.98Å; L36-F60 HydrophobicContact CD2-CD2 4.2Å; L36-F60 HydrophobicContact CD2-CG 4.05Å; L36-F60 HydrophobicContact CG-CB 4.46Å; L36-F60 HydrophobicContact CG-CG 4.44Å; F37-F60 HydrophobicContact CD2-CB 4.04Å; F37-F60 HydrophobicContact CE2-CB 4.19Å; T39-F60 HydrophobicContact CG2-CD1 4.28Å; T39-F60 VanDerWaalsContact O-CE1 3.31Å; T39-F60 WeakPolarHBondContact O-CE1 3.46Å; K41-F60 HydrophobicContact CB-CE1 3.95Å; K41-F60 HydrophobicContact CB-CZ 3.83Å; K41-F60 HydrophobicContact CD-CD1 4.32Å; K41-F60 HydrophobicContact CD-CE1 3.99Å; K41-F60 HydrophobicContact CD-CZ 4.11Å; K41-F60 HydrophobicContact CG-CD1 4.38Å; K41-F60 HydrophobicContact CG-CE1 3.72Å; K41-F60 HydrophobicContact CG-CZ 4.02Å; L58-F60 HydrophobicContact CB-CE2 3.76Å; L58-F60 HydrophobicContact CB-CZ 4.22Å |
| 61 | R | 91.6 | Very high | 82.6 | Confident | 139 Ų | 139 | 67 Ų | 67 | 53% | 0.525 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 132.2 | -177.7 | 176.6 | 169.7 | -76 | 177 | -1.9 | 109.3 | L7 C8 D9 | L7-R61 HydrophobicContact CD1-CG 3.69Å; C8-R61 WeakPolarHBondContact O-CA 3.3Å; D9-R61 WeakPolarHBondContact OD1-CB 3.41Å; D9-R61 WeakPolarHBondContact OD1-CG 3.42Å; D9-R61 IonicContact OD1-CZ 3.43Å; D9-R61 IonicContact OD1-NE 2.66Å; D9-R61 PolarHBondContact OD1-NE 3.13Å; D9-R61 IonicContact OD1-NH2 3.52Å; D9-R61 PolarHBondContact OD1-NH2 3.18Å; D9-R61 IonicContact OD2-CZ 3.42Å; D9-R61 IonicContact OD2-NE 3.4Å; D9-R61 IonicContact OD2-NH2 3.58Å; D9-R61 PolarHBondContact OD2-NH2 2.9Å |
| 62 | A | 89.4 | Confident | 81 | Confident | 10 Ų | 10 | 69 Ų | 69 | 8% | 0.083 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 155.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C8 F37 F64 | C8-A62 PolarHBondContact N-O 3.15Å; C8-A62 PolarHBondContact O-N 3.35Å; F37-A62 HydrophobicContact CB-CB 3.78Å; F37-A62 HydrophobicContact CD1-CB 4.04Å; F37-A62 HydrophobicContact CD2-CB 3.47Å; F37-A62 VanDerWaalsContact CD2-CB 3.47Å; F37-A62 HydrophobicContact CE2-CB 4.06Å; F37-A62 HydrophobicContact CG-CB 3.49Å; F37-A62 VanDerWaalsContact CG-CB 3.49Å; A62-F64 HydrophobicContact CB-CD2 4.37Å; A62-F64 HydrophobicContact CB-CE2 3.63Å; A62-F64 HydrophobicContact CB-CZ 4Å |
| 63 | I | 84.7 | Confident | 79.4 | Confident | 26 Ų | 26 | 72.4 Ų | 72.4 | 13% | 0.133 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 129 | 176.6 | -60.2 | 169.3 | 0 | 0 | 0 | 107.4 | I5 Y6 L7 F65 F160 L163 | I5-I63 HydrophobicContact CG2-CG2 3.49Å; I5-I63 VanDerWaalsContact CG2-CG2 3.49Å; Y6-I63 CarbonylContact O-C 3.46Å; Y6-I63 WeakPolarHBondContact O-CA 3.15Å; L7-I63 HydrophobicContact CD1-CG1 3.99Å; I63-F65 HydrophobicContact CG2-CE2 4.21Å; I63-F65 HydrophobicContact CG2-CZ 4.07Å; I63-F160 HydrophobicContact CD1-CD1 4.02Å; I63-F160 HydrophobicContact CD1-CE1 3.97Å; I63-L163 HydrophobicContact CD1-CB 4.02Å; I63-L163 HydrophobicContact CD1-CD1 3.82Å; I63-L163 HydrophobicContact CD1-CD2 4.34Å; I63-L163 HydrophobicContact CD1-CG 4.26Å |
| 64 | F | 80 | Confident | 77.6 | Confident | 5 Ų | 5 | 67.9 Ų | 67.9 | 2% | 0.022 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 139.3 | 178.8 | -62.5 | -91.5 | 0 | 0 | 0 | 109.8 | Y6 C8 F37 A62 I76 L169 | Y6-F64 PolarHBondContact N-O 3.13Å; Y6-F64 PolarHBondContact O-N 3.42Å; C8-F64 HydrophobicContact CB-CD2 3.9Å; C8-F64 HydrophobicContact CB-CE2 3.51Å; F37-F64 HydrophobicContact CD1-CZ 4.09Å; F37-F64 AromaticContact CE1-CZ 3.89Å; F37-F64 HydrophobicContact CE1-CZ 3.89Å; A62-F64 HydrophobicContact CB-CD2 4.37Å; A62-F64 HydrophobicContact CB-CE2 3.63Å; A62-F64 HydrophobicContact CB-CZ 4Å; F64-I76 HydrophobicContact CB-CG2 4.14Å; F64-I76 HydrophobicContact CD1-CG2 3.56Å; F64-I76 HydrophobicContact CD2-CG2 3.41Å; F64-I76 VanDerWaalsContact CD2-CG2 3.41Å; F64-I76 HydrophobicContact CE1-CG2 3.64Å; F64-I76 WeakPolarHBondContact CE1-O 3.38Å; F64-I76 HydrophobicContact CE2-CG2 3.52Å; F64-I76 HydrophobicContact CG-CG2 3.42Å; F64-I76 VanDerWaalsContact CG-CG2 3.42Å; F64-I76 HydrophobicContact CZ-CG2 3.64Å; F64-L169 HydrophobicContact CD1-CD1 4.14Å; F64-L169 HydrophobicContact CE1-CD1 3.73Å |
| 65 | F | 75.9 | Confident | 76.3 | Confident | 84 Ų | 84 | 68.4 Ų | 68.4 | 37% | 0.368 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 141.2 | 175.1 | -60.4 | -86.1 | 0 | 0 | 0 | 108.9 | I5 I63 | I5-F65 HydrophobicContact CD1-CD1 4.45Å; I5-F65 HydrophobicContact CD1-CE1 3.98Å; I5-F65 HydrophobicContact CG1-CD1 3.89Å; I5-F65 HydrophobicContact CG1-CE1 3.87Å; I5-F65 HydrophobicContact CG2-CE1 4.33Å; I63-F65 HydrophobicContact CG2-CE2 4.21Å; I63-F65 HydrophobicContact CG2-CZ 4.07Å |
| 66 | S | 69.5 | Low | 75.3 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 132.4 | 168.5 | -168.7 | 0 | 0 | 0 | 0 | 112 | C3 K4 R68 V71 | C3-S66 CarbonylContact C-O 3.59Å; C3-S66 WeakPolarHBondContact CA-O 3.37Å; K4-S66 PolarHBondContact N-O 3.07Å; K4-S66 PolarHBondContact O-N 2.68Å; S66-R68 VanDerWaalsContact C-N 3.32Å; S66-R68 PolarHBondContact OG-N 3.08Å; S66-V71 WeakPolarHBondContact OG-CG2 3.27Å |
| 67 | E | 62 | Low | 74.6 | Confident | 124 Ų | 124 | 61.2 Ų | 61.2 | 58% | 0.579 | 29% | 0.288 | S | S | * | . | trans | -80.7 | -17.8 | 176.1 | -58.9 | -176.7 | 175.8 | 0 | 0 | 111.9 | ||||
| 68 | R | 58.4 | Low | 73.6 | Confident | 131 Ų | 131 | 60.3 Ų | 60.3 | 49% | 0.494 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -80.6 | 137.8 | -177.5 | -65.6 | -172.4 | 178.9 | -168.9 | -0.3 | 111.5 | S66 H70 D173 | S66-R68 VanDerWaalsContact C-N 3.32Å; S66-R68 PolarHBondContact OG-N 3.08Å; R68-H70 PolarHBondContact O-N 2.95Å; R68-D173 IonicContact CZ-OD1 3.5Å; R68-D173 IonicContact NE-OD1 3.7Å; R68-D173 PolarHBondContact NE-OD1 2.88Å; R68-D173 IonicContact NH2-OD1 3.76Å; R68-D173 PolarHBondContact NH2-OD1 2.75Å |
| 69 | R | 52.9 | Low | 72.8 | Confident | 185 Ų | 185 | 62.2 Ų | 62.2 | 70% | 0.698 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -61.2 | -26.2 | 170.9 | -74 | -176.3 | 179.4 | 148.5 | -1.2 | 112 | K4 | K4-R69 WeakPolarHBondContact CE-O 3.45Å; K4-R69 PolarHBondContact NZ-O 3.43Å |
| 70 | H | 54 | Low | 72.4 | Confident | 167 Ų | 167 | 59.7 Ų | 59.7 | 77% | 0.773 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -125.4 | 97.6 | 174.8 | -65.2 | -84.9 | 0 | 0 | 0 | 108.3 | R68 N72 | R68-H70 PolarHBondContact O-N 2.95Å; H70-N72 PolarHBondContact O-N 2.86Å |
| 71 | V | 55.8 | Low | 72.3 | Confident | 21 Ų | 21 | 66.3 Ų | 66.3 | 13% | 0.127 | 32% | 0.317 | C | S | . | . | trans | -76.8 | 116.7 | 166.7 | -169.5 | 0 | 0 | 0 | 0 | 105.7 | Y6 S66 R73 I76 I171 | Y6-V71 HydrophobicContact CD2-CG2 4.47Å; Y6-V71 HydrophobicContact CE2-CB 4.18Å; Y6-V71 HydrophobicContact CE2-CG2 3.44Å; Y6-V71 VanDerWaalsContact CE2-CG2 3.44Å; Y6-V71 WeakPolarHBondContact OH-CG2 3.36Å; S66-V71 WeakPolarHBondContact OG-CG2 3.27Å; V71-R73 PolarHBondContact O-N 2.84Å; V71-R73 VanDerWaalsContact O-N 3.08Å; V71-I76 HydrophobicContact CG1-CG1 4.28Å; V71-I171 HydrophobicContact CG1-CD1 4.04Å | ||
| 72 | N | 60.3 | Low | 72.5 | Confident | 114 Ų | 114 | 59.7 Ų | 59.7 | 61% | 0.61 | 29% | 0.292 | S | S | * | . | trans | -65.7 | 110.9 | 163.2 | -166.9 | 5.6 | 0 | 0 | 0 | 106.6 | H70 C74 G75 | H70-N72 PolarHBondContact O-N 2.86Å; N72-C74 PolarHBondContact O-N 3.06Å; N72-C74 VanDerWaalsContact O-N 3.11Å; N72-C74 PolarHBondContact OD1-SG 2.96Å; N72-G75 PolarHBondContact O-N 3.39Å | ||
| 73 | R | 62.6 | Low | 72.9 | Confident | 75 Ų | 75 | 61 Ų | 61 | 28% | 0.283 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -58.9 | -24.8 | -178.6 | -68 | -178.9 | -179.7 | 144.1 | -0.4 | 111.1 | V71 G75 I76 V113 D114 | V71-R73 PolarHBondContact O-N 2.84Å; V71-R73 VanDerWaalsContact O-N 3.08Å; R73-G75 PolarHBondContact O-N 2.96Å; R73-I76 HydrophobicContact CB-CD1 4.24Å; R73-I76 HydrophobicContact CG-CD1 4.38Å; R73-I76 WeakPolarHBondContact O-CG1 3.38Å; R73-I76 PolarHBondContact O-N 2.9Å; R73-V113 VanDerWaalsContact CB-O 3.31Å; R73-V113 WeakPolarHBondContact CB-O 3.4Å; R73-D114 PolarHBondContact NH1-O 2.81Å |
| 74 | C | 58.4 | Low | 73.6 | Confident | 24 Ų | 24 | 59.8 Ų | 59.8 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -60.1 | -11.7 | 173.1 | -40.6 | 0 | 0 | 0 | 0 | 114.6 | N72 Q107 E112 D114 | N72-C74 PolarHBondContact O-N 3.06Å; N72-C74 VanDerWaalsContact O-N 3.11Å; N72-C74 PolarHBondContact OD1-SG 2.96Å; C74-Q107 PolarHBondContact O-NE2 2.77Å; C74-Q107 PolarHBondContact O-OE1 2.84Å; C74-E112 HydrophobicContact CB-CG 4.35Å; C74-D114 PolarHBondContact SG-OD1 2.98Å |
| 75 | G | 68.1 | Low | 74.4 | Confident | 23 Ų | 23 | 62.8 Ų | 62.8 | 24% | 0.237 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -104.9 | -1.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N72 R73 F77 N78 | N72-G75 PolarHBondContact O-N 3.39Å; R73-G75 PolarHBondContact O-N 2.96Å; G75-F77 VanDerWaalsContact C-N 3.26Å; G75-F77 PolarHBondContact O-N 3.28Å; G75-N78 WeakPolarHBondContact O-CB 3.46Å; G75-N78 PolarHBondContact O-N 2.99Å |
| 76 | I | 74 | Confident | 75.4 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -31.4 | -169.2 | -63.7 | 170.4 | 0 | 0 | 0 | 111.8 | F64 V71 R73 N78 F149 | F64-I76 HydrophobicContact CB-CG2 4.14Å; F64-I76 HydrophobicContact CD1-CG2 3.56Å; F64-I76 HydrophobicContact CD2-CG2 3.41Å; F64-I76 VanDerWaalsContact CD2-CG2 3.41Å; F64-I76 HydrophobicContact CE1-CG2 3.64Å; F64-I76 WeakPolarHBondContact CE1-O 3.38Å; F64-I76 HydrophobicContact CE2-CG2 3.52Å; F64-I76 HydrophobicContact CG-CG2 3.42Å; F64-I76 VanDerWaalsContact CG-CG2 3.42Å; F64-I76 HydrophobicContact CZ-CG2 3.64Å; V71-I76 HydrophobicContact CG1-CG1 4.28Å; R73-I76 HydrophobicContact CB-CD1 4.24Å; R73-I76 HydrophobicContact CG-CD1 4.38Å; R73-I76 WeakPolarHBondContact O-CG1 3.38Å; R73-I76 PolarHBondContact O-N 2.9Å; I76-N78 VanDerWaalsContact C-N 3.28Å; I76-F149 HydrophobicContact CB-CE1 4.03Å; I76-F149 HydrophobicContact CB-CZ 4.3Å; I76-F149 HydrophobicContact CD1-CD1 3.7Å; I76-F149 HydrophobicContact CD1-CE1 3.59Å; I76-F149 HydrophobicContact CD1-CG 4.39Å; I76-F149 HydrophobicContact CD1-CZ 4.2Å; I76-F149 HydrophobicContact CG1-CE1 4.41Å; I76-F149 HydrophobicContact CG2-CE1 3.66Å; I76-F149 HydrophobicContact CG2-CZ 4.27Å |
| 77 | F | 82 | Confident | 76.7 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 3.2 | 175.4 | -57.7 | -44.7 | 0 | 0 | 0 | 113.6 | V10 F37 G75 G79 C80 A106 Q107 F110 V113 T147 F149 | V10-F77 HydrophobicContact CG2-CZ 4.28Å; F37-F77 AromaticContact CE1-CD1 3.73Å; F37-F77 HydrophobicContact CE1-CD1 3.73Å; F37-F77 AromaticContact CE1-CE1 3.73Å; F37-F77 HydrophobicContact CE1-CE1 3.73Å; F37-F77 AromaticContact CZ-CD1 3.97Å; F37-F77 HydrophobicContact CZ-CD1 3.97Å; F37-F77 AromaticContact CZ-CE1 3.46Å; F37-F77 HydrophobicContact CZ-CE1 3.46Å; F37-F77 VanDerWaalsContact CZ-CE1 3.46Å; F37-F77 HydrophobicContact CZ-CZ 4.42Å; G75-F77 VanDerWaalsContact C-N 3.26Å; G75-F77 PolarHBondContact O-N 3.28Å; F77-G79 PolarHBondContact O-N 2.99Å; F77-C80 WeakPolarHBondContact O-CB 3.35Å; F77-C80 PolarHBondContact O-N 3.03Å; F77-A106 HydrophobicContact CB-CB 3.86Å; F77-A106 HydrophobicContact CG-CB 4.28Å; F77-Q107 HydrophobicContact CB-CB 4.09Å; F77-F110 HydrophobicContact CD2-CB 3.92Å; F77-F110 AromaticContact CD2-CD2 3.89Å; F77-F110 HydrophobicContact CD2-CD2 3.89Å; F77-F110 HydrophobicContact CD2-CG 4.27Å; F77-F110 HydrophobicContact CE2-CB 3.63Å; F77-F110 AromaticContact CE2-CD2 3.72Å; F77-F110 HydrophobicContact CE2-CD2 3.72Å; F77-F110 AromaticContact CE2-CG 3.84Å; F77-F110 HydrophobicContact CE2-CG 3.84Å; F77-F110 HydrophobicContact CG-CD2 4.32Å; F77-F110 HydrophobicContact CZ-CD2 4.03Å; F77-F110 HydrophobicContact CZ-CG 4.34Å; F77-V113 HydrophobicContact CE2-CG2 4.03Å; F77-T147 HydrophobicContact CE2-CG2 4.38Å; F77-T147 HydrophobicContact CZ-CG2 3.87Å; F77-F149 HydrophobicContact CE1-CE1 4.41Å; F77-F149 AromaticContact CE1-CZ 3.83Å; F77-F149 HydrophobicContact CE1-CZ 3.83Å; F77-F149 HydrophobicContact CE2-CE2 4.37Å; F77-F149 AromaticContact CE2-CZ 3.94Å; F77-F149 HydrophobicContact CE2-CZ 3.94Å; F77-F149 HydrophobicContact CZ-CE1 4.39Å; F77-F149 HydrophobicContact CZ-CE2 4.1Å; F77-F149 AromaticContact CZ-CZ 3.44Å; F77-F149 HydrophobicContact CZ-CZ 3.44Å; F77-F149 VanDerWaalsContact CZ-CZ 3.44Å |
| 78 | N | 77.3 | Confident | 78.3 | Confident | 52 Ų | 52 | 52.9 Ų | 52.9 | 28% | 0.278 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 135.3 | 177.1 | -161.1 | 12 | 0 | 0 | 0 | 109.9 | G75 I76 C80 D174 | G75-N78 WeakPolarHBondContact O-CB 3.46Å; G75-N78 PolarHBondContact O-N 2.99Å; I76-N78 VanDerWaalsContact C-N 3.28Å; N78-C80 PolarHBondContact O-N 3.06Å; N78-C80 VanDerWaalsContact O-N 3.15Å; N78-D174 PolarHBondContact ND2-OD2 3.15Å; N78-D174 VanDerWaalsContact ND2-OD2 3.13Å |
| 79 | G | 80.9 | Confident | 79.8 | Confident | 56 Ų | 56 | 48.6 Ų | 48.6 | 58% | 0.577 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | -12 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | F77 | F77-G79 PolarHBondContact O-N 2.99Š|
| 80 | C | 88.6 | Confident | 81.3 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | trans | -80.4 | 142.6 | 175.5 | -65.7 | 0 | 0 | 0 | 0 | 110.8 | F77 N78 A106 | F77-C80 WeakPolarHBondContact O-CB 3.35Å; F77-C80 PolarHBondContact O-N 3.03Å; N78-C80 PolarHBondContact O-N 3.06Å; N78-C80 VanDerWaalsContact O-N 3.15Å; C80-A106 HydrophobicContact CB-CB 3.75Å; C80-A106 WeakPolarHBondContact O-CB 3.39Å; C80-A106 PolarHBondContact O-N 3.27Å | ||
| 81 | K | 93.2 | Very high | 82.6 | Confident | 139 Ų | 139 | 35.7 Ų | 35.7 | 60% | 0.604 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 147.9 | 172.5 | -67.6 | -176 | -178.6 | 177.5 | 0 | 110.2 | R104 | K81-R104 WeakPolarHBondContact CA-O 3.47Å |
| 82 | I | 95.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.6 | 165.1 | -173.5 | 170.8 | 0 | 0 | 0 | 108.6 | F12 E35 L36 I84 Y102 S103 R104 F109 F110 | F12-I82 HydrophobicContact CD2-CD1 4.42Å; F12-I82 HydrophobicContact CE2-CD1 3.86Å; E35-I82 WeakPolarHBondContact O-CA 3.28Å; L36-I82 HydrophobicContact CD1-CB 4.15Å; L36-I82 HydrophobicContact CD1-CG1 4.45Å; I82-I84 HydrophobicContact CD1-CD1 4.27Å; I82-I84 HydrophobicContact CD1-CG1 4.46Å; I82-I84 HydrophobicContact CG1-CG1 4.31Å; I82-Y102 HydrophobicContact CG2-CE1 4.34Å; I82-S103 WeakPolarHBondContact O-CA 3.44Å; I82-R104 PolarHBondContact N-O 2.86Å; I82-R104 PolarHBondContact O-N 3.08Å; I82-F109 HydrophobicContact CD1-CD1 3.75Å; I82-F109 HydrophobicContact CD1-CD2 4.37Å; I82-F109 HydrophobicContact CD1-CE1 3.6Å; I82-F109 HydrophobicContact CD1-CE2 4.21Å; I82-F109 HydrophobicContact CD1-CG 4.14Å; I82-F109 HydrophobicContact CD1-CZ 3.82Å; I82-F109 HydrophobicContact CG2-CB 3.73Å; I82-F109 HydrophobicContact CG2-CD1 4.29Å; I82-F109 HydrophobicContact CG2-CD2 3.84Å; I82-F109 HydrophobicContact CG2-CG 3.68Å; I82-F110 HydrophobicContact CD1-CZ 4.25Å |
| 83 | N | 97.3 | Very high | 84.3 | Confident | 38 Ų | 38 | 40.2 Ų | 40.2 | 20% | 0.203 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 132.5 | 172.8 | -56.4 | -51.7 | 0 | 0 | 0 | 109.2 | I34 E35 Y102 S103 | I34-N83 CarbonylContact C-O 3.56Å; I34-N83 WeakPolarHBondContact CA-O 3.33Å; E35-N83 HydrophobicContact CB-CB 4.05Å; E35-N83 PolarHBondContact N-O 3.29Å; E35-N83 PolarHBondContact O-N 2.79Å; E35-N83 PolarHBondContact OE2-ND2 3.13Å; N83-Y102 CarbonylContact C-O 3.59Å; N83-Y102 WeakPolarHBondContact CA-O 3.19Å; N83-S103 WeakPolarHBondContact OD1-CB 3.5Å; N83-S103 PolarHBondContact OD1-OG 2.97Å |
| 84 | I | 98 | Very high | 85.1 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131.4 | 175.8 | -59.4 | 161.5 | 0 | 0 | 0 | 106.8 | F12 L32 L33 I34 I82 F101 Y102 F109 I126 L128 M141 | F12-I84 HydrophobicContact CZ-CD1 4.08Å; L32-I84 HydrophobicContact CD2-CG2 3.95Å; L33-I84 CarbonylContact O-C 3.58Å; L33-I84 WeakPolarHBondContact O-CA 3.24Å; I34-I84 HydrophobicContact CD1-CG1 4.49Å; I34-I84 HydrophobicContact CG1-CG1 4.28Å; I34-I84 HydrophobicContact CG1-CG2 4.29Å; I34-I84 HydrophobicContact CG2-CG1 4.18Å; I82-I84 HydrophobicContact CD1-CD1 4.27Å; I82-I84 HydrophobicContact CD1-CG1 4.46Å; I82-I84 HydrophobicContact CG1-CG1 4.31Å; I84-F101 CarbonylContact O-C 3.57Å; I84-F101 WeakPolarHBondContact O-CA 3.18Å; I84-Y102 HydrophobicContact CD1-CD1 4.06Å; I84-Y102 PolarHBondContact N-O 3.41Å; I84-Y102 PolarHBondContact O-N 3.11Å; I84-F109 HydrophobicContact CD1-CE2 4.34Å; I84-F109 HydrophobicContact CD1-CZ 4.43Å; I84-I126 HydrophobicContact CD1-CD1 3.88Å; I84-L128 HydrophobicContact CG2-CD2 4.29Å; I84-M141 HydrophobicContact CD1-CE 3.88Å; I84-M141 HydrophobicContact CG2-SD 4.06Å |
| 85 | Q | 97.6 | Very high | 86.3 | Confident | 68 Ų | 68 | 44.3 Ų | 44.3 | 32% | 0.318 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 133 | 176.1 | -57.6 | -176.7 | 12.7 | 0 | 0 | 110.2 | L32 L33 A100 F101 | L32-Q85 CarbonylContact C-O 3.56Å; L32-Q85 WeakPolarHBondContact CA-O 3.34Å; L32-Q85 WeakPolarHBondContact CD2-O 3.41Å; L33-Q85 HydrophobicContact CB-CB 4.33Å; L33-Q85 PolarHBondContact N-O 2.91Å; L33-Q85 PolarHBondContact O-N 2.84Å; Q85-A100 CarbonylContact C-O 3.56Å; Q85-A100 WeakPolarHBondContact CA-O 3.37Å; Q85-F101 HydrophobicContact CG-CB 4.11Å |
| 86 | L | 97.8 | Very high | 87.2 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 121.7 | 164.2 | 178.1 | 65 | 0 | 0 | 0 | 107.8 | I17 L30 L32 F50 L52 L99 A100 L128 I139 | I17-L86 HydrophobicContact CD1-CD1 3.85Å; L30-L86 HydrophobicContact CB-CD1 4.19Å; L32-L86 HydrophobicContact CD2-CB 4.2Å; L32-L86 HydrophobicContact CD2-CD1 4.34Å; F50-L86 HydrophobicContact CE1-CD2 4.48Å; F50-L86 HydrophobicContact CZ-CD2 4.26Å; L52-L86 HydrophobicContact CD1-CD1 4.08Å; L86-L99 HydrophobicContact CD2-CB 4.29Å; L86-L99 HydrophobicContact CD2-CD1 4.38Å; L86-L99 HydrophobicContact CG-CB 4.25Å; L86-L99 HydrophobicContact CG-CD1 4.34Å; L86-L99 PolarHBondContact O-N 3.01Å; L86-A100 HydrophobicContact CB-CB 4.45Å; L86-A100 PolarHBondContact N-O 2.76Å; L86-A100 PolarHBondContact O-N 3.33Å; L86-L128 HydrophobicContact CB-CD1 4.27Å; L86-I139 HydrophobicContact CD2-CD1 3.73Å |
| 87 | C | 96.3 | Very high | 88.1 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.014 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 147.8 | -176.3 | -64.1 | 0 | 0 | 0 | 0 | 110.9 | L30 Y31 V96 K97 | L30-C87 CarbonylContact C-O 3.49Å; L30-C87 VanDerWaalsContact CA-O 3.3Å; L30-C87 WeakPolarHBondContact CA-O 3.37Å; Y31-C87 HydrophobicContact CD1-CB 4.29Å; Y31-C87 HydrophobicContact CD2-CB 4.08Å; Y31-C87 HydrophobicContact CE1-CB 3.81Å; Y31-C87 HydrophobicContact CE2-CB 3.6Å; Y31-C87 HydrophobicContact CG-CB 4.44Å; Y31-C87 VanDerWaalsContact CZ-CB 3.46Å; Y31-C87 PolarHBondContact N-O 2.95Å; Y31-C87 PolarHBondContact O-N 3.35Å; C87-V96 HydrophobicContact CB-CG1 3.83Å; C87-K97 WeakPolarHBondContact CA-O 3.41Å |
| 88 | E | 94.7 | Very high | 88.7 | Confident | 7 Ų | 7 | 49.8 Ų | 49.8 | 3% | 0.033 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 131.1 | 166.4 | -168.7 | -169.6 | 135.7 | 0 | 0 | 108.5 | S26 N28 L30 K97 L99 | S26-E88 WeakPolarHBondContact CB-OE1 3.36Å; S26-E88 PolarHBondContact OG-OE1 2.91Å; S26-E88 PolarHBondContact OG-OE2 2.84Å; N28-E88 HydrophobicContact CB-CG 3.5Å; N28-E88 VanDerWaalsContact CB-CG 3.5Å; N28-E88 PolarHBondContact ND2-OE1 3.49Å; L30-E88 HydrophobicContact CD2-CB 4.06Å; L30-E88 HydrophobicContact CD2-CG 4.13Å; E88-K97 HydrophobicContact CB-CB 4.19Å; E88-K97 PolarHBondContact N-O 2.79Å; E88-K97 IonicContact OE1-NZ 3.55Å; E88-K97 PolarHBondContact OE1-NZ 2.7Å; E88-K97 WeakPolarHBondContact OE2-CD 3.29Å; E88-K97 IonicContact OE2-NZ 3.27Å; E88-L99 HydrophobicContact CB-CD1 4.29Å; E88-L99 HydrophobicContact CB-CD2 4.43Å; E88-L99 HydrophobicContact CB-CG 4.34Å |
| 89 | D | 90.6 | Very high | 89.6 | Confident | 41 Ų | 41 | 47.3 Ų | 47.3 | 22% | 0.219 | 29% | 0.293 | C | S | . | . | trans | -59.5 | 133.2 | 173.3 | -156.7 | -59.2 | 0 | 0 | 0 | 109.2 | N28 H29 Y31 R42 G91 | N28-D89 PolarHBondContact ND2-O 3.01Å; H29-D89 HydrophobicContact CB-CB 4.35Å; H29-D89 WeakPolarHBondContact O-CB 3.42Å; H29-D89 PolarHBondContact O-N 2.98Å; Y31-D89 HydrophobicContact CE1-CB 4.42Å; R42-D89 IonicContact CZ-OD2 3.43Å; R42-D89 IonicContact NH1-OD2 2.7Å; R42-D89 IonicContact NH2-OD2 3.89Å; R42-D89 PolarHBondContact NH2-OD2 2.98Å; D89-G91 PolarHBondContact O-N 2.88Å; D89-G91 VanDerWaalsContact O-N 3.09Å; D89-G91 PolarHBondContact OD1-N 3Å | ||
| 90 | P | 84.3 | Confident | 90.4 | Very high | 34 Ų | 34 | 44.7 Ų | 44.7 | 22% | 0.221 | 27% | 0.265 | C | S | . | . | trans | -52.1 | -33.2 | 179.1 | 12.7 | -27.3 | 0 | 0 | 0 | 112.6 | N92 S93 V96 | P90-N92 PolarHBondContact O-N 2.75Å; P90-S93 WeakPolarHBondContact CB-O 3.41Å; P90-S93 WeakPolarHBondContact O-CA 3.06Å; P90-S93 WeakPolarHBondContact O-CB 3.15Å; P90-S93 PolarHBondContact O-N 2.81Å; P90-V96 HydrophobicContact CG-CG2 4.3Å | ||
| 91 | G | 80.9 | Confident | 90.8 | Very high | 47 Ų | 47 | 48.2 Ų | 48.2 | 49% | 0.485 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | -112.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | D89 | D89-G91 PolarHBondContact O-N 2.88Å; D89-G91 VanDerWaalsContact O-N 3.09Å; D89-G91 PolarHBondContact OD1-N 3Å |
| 92 | N | 74.6 | Confident | 91 | Very high | 179 Ų | 179 | 43.3 Ų | 43.3 | 96% | 0.957 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -6.9 | 174.8 | -64.2 | -17.4 | 0 | 0 | 0 | 114.2 | P90 | P90-N92 PolarHBondContact O-N 2.75Š|
| 93 | S | 77.2 | Confident | 91.1 | Very high | 51 Ų | 51 | 45.5 Ų | 45.5 | 36% | 0.357 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -79.6 | 150.5 | 175.6 | -175 | 0 | 0 | 0 | 0 | 111 | P90 T95 | P90-S93 WeakPolarHBondContact CB-O 3.41Å; P90-S93 WeakPolarHBondContact O-CA 3.06Å; P90-S93 WeakPolarHBondContact O-CB 3.15Å; P90-S93 PolarHBondContact O-N 2.81Å; S93-T95 VanDerWaalsContact C-N 3.29Å; S93-T95 PolarHBondContact OG-N 2.64Å; S93-T95 PolarHBondContact OG-OG1 2.68Å |
| 94 | A | 78.7 | Confident | 91 | Very high | 104 Ų | 104 | 48.7 Ų | 48.7 | 86% | 0.86 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -78.8 | -13.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 95 | T | 83.9 | Confident | 90.7 | Very high | 81 Ų | 81 | 50.9 Ų | 50.9 | 50% | 0.497 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -121.2 | 126.7 | -169.8 | 61.6 | 0 | 0 | 0 | 0 | 112 | S93 K97 | S93-T95 VanDerWaalsContact C-N 3.29Å; S93-T95 PolarHBondContact OG-N 2.64Å; S93-T95 PolarHBondContact OG-OG1 2.68Å; T95-K97 PolarHBondContact O-N 3.27Å |
| 96 | V | 88 | Confident | 90.3 | Very high | 44 Ų | 44 | 47.6 Ų | 47.6 | 27% | 0.267 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -63 | 127.6 | 166.5 | 177.5 | 0 | 0 | 0 | 0 | 108.7 | Y31 C87 P90 F195 | Y31-V96 VanDerWaalsContact OH-CG1 3.24Å; Y31-V96 WeakPolarHBondContact OH-CG1 3.38Å; C87-V96 HydrophobicContact CB-CG1 3.83Å; P90-V96 HydrophobicContact CG-CG2 4.3Å; V96-F195 HydrophobicContact CB-CE1 4.42Å |
| 97 | K | 92.2 | Very high | 89.9 | Confident | 69 Ų | 69 | 49.3 Ų | 49.3 | 30% | 0.3 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 120.7 | 173.2 | -61.8 | 176.8 | -167.6 | 156.6 | 0 | 109.5 | C87 E88 T95 | C87-K97 WeakPolarHBondContact CA-O 3.41Å; E88-K97 HydrophobicContact CB-CB 4.19Å; E88-K97 PolarHBondContact N-O 2.79Å; E88-K97 IonicContact OE1-NZ 3.55Å; E88-K97 PolarHBondContact OE1-NZ 2.7Å; E88-K97 WeakPolarHBondContact OE2-CD 3.29Å; E88-K97 IonicContact OE2-NZ 3.27Å; T95-K97 PolarHBondContact O-N 3.27Å |
| 98 | S | 95 | Very high | 89.5 | Confident | 31 Ų | 31 | 55.5 Ų | 55.5 | 22% | 0.217 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 127.6 | 164.8 | -173.7 | 0 | 0 | 0 | 0 | 108.4 | T131 N133 | S98-T131 PolarHBondContact O-OG1 3.35Å; S98-N133 PolarHBondContact O-ND2 2.99Å |
| 99 | L | 95.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -42.6 | 178.9 | -62.3 | -176.8 | 0 | 0 | 0 | 110.9 | L24 L30 L86 E88 T131 N133 F134 | L24-L99 HydrophobicContact CD1-CD1 3.92Å; L30-L99 HydrophobicContact CD1-CD1 4.42Å; L30-L99 HydrophobicContact CD2-CD1 3.57Å; L86-L99 HydrophobicContact CD2-CB 4.29Å; L86-L99 HydrophobicContact CD2-CD1 4.38Å; L86-L99 HydrophobicContact CG-CB 4.25Å; L86-L99 HydrophobicContact CG-CD1 4.34Å; L86-L99 PolarHBondContact O-N 3.01Å; E88-L99 HydrophobicContact CB-CD1 4.29Å; E88-L99 HydrophobicContact CB-CD2 4.43Å; E88-L99 HydrophobicContact CB-CG 4.34Å; L99-T131 WeakPolarHBondContact CA-OG1 3.26Å; L99-T131 WeakPolarHBondContact O-CB 3.07Å; L99-T131 PolarHBondContact O-N 2.82Å; L99-T131 PolarHBondContact O-OG1 2.75Å; L99-N133 HydrophobicContact CD2-CB 3.98Å; L99-F134 HydrophobicContact CB-CB 4.31Å; L99-F134 HydrophobicContact CB-CD2 4Å; L99-F134 HydrophobicContact CD1-CD2 4.35Å; L99-F134 VanDerWaalsContact O-CB 3.26Å; L99-F134 WeakPolarHBondContact O-CB 3.38Å |
| 100 | A | 97.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 159.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q85 L86 L128 R129 I139 | Q85-A100 CarbonylContact C-O 3.56Å; Q85-A100 WeakPolarHBondContact CA-O 3.37Å; L86-A100 HydrophobicContact CB-CB 4.45Å; L86-A100 PolarHBondContact N-O 2.76Å; L86-A100 PolarHBondContact O-N 3.33Å; A100-L128 HydrophobicContact CB-CB 3.72Å; A100-L128 HydrophobicContact CB-CD1 4.24Å; A100-R129 CarbonylContact C-O 3.55Å; A100-R129 WeakPolarHBondContact CA-O 3.14Å; A100-R129 WeakPolarHBondContact CB-O 3.5Å; A100-I139 HydrophobicContact CB-CD1 3.54Å; A100-I139 HydrophobicContact CB-CG1 4.39Å |
| 101 | F | 97.6 | Very high | 89 | Confident | 76 Ų | 76 | 53.4 Ų | 53.4 | 33% | 0.333 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 157.5 | -178.5 | 69.8 | -82.6 | 0 | 0 | 0 | 112.7 | I84 Q85 R129 T131 | I84-F101 CarbonylContact O-C 3.57Å; I84-F101 WeakPolarHBondContact O-CA 3.18Å; Q85-F101 HydrophobicContact CG-CB 4.11Å; F101-R129 HydrophobicContact CD1-CB 4.26Å; F101-R129 WeakPolarHBondContact CD1-O 3.08Å; F101-R129 HydrophobicContact CE1-CB 3.9Å; F101-R129 HydrophobicContact CE2-CB 4.22Å; F101-R129 HydrophobicContact CZ-CB 3.88Å; F101-R129 PolarHBondContact N-O 2.61Å; F101-R129 WeakPolarHBondContact O-CB 3.33Å; F101-R129 PolarHBondContact O-N 3.2Å; F101-T131 HydrophobicContact CD1-CG2 4.01Å; F101-T131 HydrophobicContact CE1-CG2 4.43Å |
| 102 | Y | 98 | Very high | 88.6 | Confident | 36 Ų | 36 | 57.7 Ų | 57.7 | 14% | 0.141 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 135.4 | 170.3 | 175 | -82.9 | 0 | 0 | 0 | 108.5 | I82 N83 I84 R104 F109 I126 L128 | I82-Y102 HydrophobicContact CG2-CE1 4.34Å; N83-Y102 CarbonylContact C-O 3.59Å; N83-Y102 WeakPolarHBondContact CA-O 3.19Å; I84-Y102 HydrophobicContact CD1-CD1 4.06Å; I84-Y102 PolarHBondContact N-O 3.41Å; I84-Y102 PolarHBondContact O-N 3.11Å; Y102-R104 HydrophobicContact CE1-CB 3.83Å; Y102-R104 HydrophobicContact CE1-CG 3.76Å; Y102-R104 HydrophobicContact CE2-CG 4.08Å; Y102-R104 VanDerWaalsContact CZ-CG 3.44Å; Y102-R104 VanDerWaalsContact OH-CG 3.28Å; Y102-R104 WeakPolarHBondContact OH-CG 3.26Å; Y102-F109 AromaticContact CE1-CD2 3.56Å; Y102-F109 HydrophobicContact CE1-CD2 3.56Å; Y102-F109 AromaticContact CE1-CE2 3.76Å; Y102-F109 HydrophobicContact CE1-CE2 3.76Å; Y102-F109 AromaticContact CZ-CD2 3.91Å; Y102-I126 HydrophobicContact CD1-CD1 4.16Å; Y102-I126 HydrophobicContact CD2-CB 4.47Å; Y102-I126 HydrophobicContact CD2-CD1 4.01Å; Y102-I126 HydrophobicContact CE1-CD1 4.34Å; Y102-I126 HydrophobicContact CE2-CB 4.21Å; Y102-I126 HydrophobicContact CE2-CD1 4.17Å; Y102-I126 HydrophobicContact CE2-CG2 4.29Å; Y102-I126 HydrophobicContact CG-CD1 3.99Å; Y102-L128 HydrophobicContact CG-CD2 4.45Å |
| 103 | S | 96.5 | Very high | 88.5 | Confident | 46 Ų | 46 | 49.3 Ų | 49.3 | 32% | 0.322 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 124.5 | 178.1 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | I82 N83 | I82-S103 WeakPolarHBondContact O-CA 3.44Å; N83-S103 WeakPolarHBondContact OD1-CB 3.5Å; N83-S103 PolarHBondContact OD1-OG 2.97Å |
| 104 | R | 95 | Very high | 87.9 | Confident | 105 Ų | 105 | 51.1 Ų | 51.1 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 166 | 178.9 | -75.8 | -60 | -177.4 | -131.9 | 15.3 | 111.4 | K81 I82 Y102 | K81-R104 WeakPolarHBondContact CA-O 3.47Å; I82-R104 PolarHBondContact N-O 2.86Å; I82-R104 PolarHBondContact O-N 3.08Å; Y102-R104 HydrophobicContact CE1-CB 3.83Å; Y102-R104 HydrophobicContact CE1-CG 3.76Å; Y102-R104 HydrophobicContact CE2-CG 4.08Å; Y102-R104 VanDerWaalsContact CZ-CG 3.44Å; Y102-R104 VanDerWaalsContact OH-CG 3.28Å; Y102-R104 WeakPolarHBondContact OH-CG 3.26Å |
| 105 | N | 92.2 | Very high | 87.1 | Confident | 46 Ų | 46 | 48.5 Ų | 48.5 | 25% | 0.246 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 136.2 | 167.3 | -174.1 | -61.3 | 0 | 0 | 0 | 108.9 | Q107 E108 F109 | N105-Q107 VanDerWaalsContact C-N 3.27Å; N105-Q107 PolarHBondContact O-N 2.99Å; N105-Q107 WeakPolarHBondContact OD1-CA 3.15Å; N105-Q107 WeakPolarHBondContact OD1-CB 3.36Å; N105-Q107 PolarHBondContact OD1-N 2.83Å; N105-E108 HydrophobicContact CB-CB 4.41Å; N105-E108 HydrophobicContact CB-CG 4.12Å; N105-E108 PolarHBondContact O-N 3.03Å; N105-F109 WeakPolarHBondContact O-CB 3.33Å; N105-F109 PolarHBondContact O-N 3.41Å |
| 106 | A | 90.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66 | -30.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L36 F77 C80 F109 F110 | L36-A106 HydrophobicContact CD1-CB 4.17Å; F77-A106 HydrophobicContact CB-CB 3.86Å; F77-A106 HydrophobicContact CG-CB 4.28Å; C80-A106 HydrophobicContact CB-CB 3.75Å; C80-A106 WeakPolarHBondContact O-CB 3.39Å; C80-A106 PolarHBondContact O-N 3.27Å; A106-F109 PolarHBondContact O-N 2.82Å; A106-F110 HydrophobicContact CB-CD2 4.15Å; A106-F110 HydrophobicContact CB-CE2 4.17Å; A106-F110 WeakPolarHBondContact O-CD2 3.26Å; A106-F110 PolarHBondContact O-N 2.94Å |
| 107 | Q | 87.6 | Confident | 85.7 | Confident | 36 Ų | 36 | 54.3 Ų | 54.3 | 17% | 0.168 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 173.8 | -169.9 | 57.1 | 41.9 | 0 | 0 | 111.7 | C74 F77 N105 F109 G111 | C74-Q107 PolarHBondContact O-NE2 2.77Å; C74-Q107 PolarHBondContact O-OE1 2.84Å; F77-Q107 HydrophobicContact CB-CB 4.09Å; N105-Q107 VanDerWaalsContact C-N 3.27Å; N105-Q107 PolarHBondContact O-N 2.99Å; N105-Q107 WeakPolarHBondContact OD1-CA 3.15Å; N105-Q107 WeakPolarHBondContact OD1-CB 3.36Å; N105-Q107 PolarHBondContact OD1-N 2.83Å; Q107-F109 VanDerWaalsContact C-N 3.25Å; Q107-F109 PolarHBondContact O-N 3.49Å; Q107-G111 PolarHBondContact NE2-O 3.03Å; Q107-G111 VanDerWaalsContact NE2-O 3.08Å; Q107-G111 VanDerWaalsContact O-CA 3.3Å; Q107-G111 WeakPolarHBondContact O-CA 3.49Å; Q107-G111 PolarHBondContact O-N 2.79Å |
| 108 | E | 88.2 | Confident | 85.2 | Confident | 133 Ų | 133 | 54.9 Ų | 54.9 | 62% | 0.621 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64 | -35.4 | 173.6 | -66.2 | 173.6 | -171.8 | 0 | 0 | 111.6 | N105 | N105-E108 HydrophobicContact CB-CB 4.41Å; N105-E108 HydrophobicContact CB-CG 4.12Å; N105-E108 PolarHBondContact O-N 3.03Å |
| 109 | F | 90.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.4 | -49.5 | -178.1 | -173.8 | -92.3 | 0 | 0 | 0 | 112 | F12 I82 I84 Y102 N105 A106 Q107 R124 I126 F143 T145 | F12-F109 HydrophobicContact CD2-CE1 4.44Å; F12-F109 AromaticContact CE2-CE1 3.56Å; F12-F109 HydrophobicContact CE2-CE1 3.56Å; F12-F109 AromaticContact CE2-CZ 3.51Å; F12-F109 HydrophobicContact CE2-CZ 3.51Å; F12-F109 HydrophobicContact CZ-CE1 4.35Å; F12-F109 AromaticContact CZ-CZ 3.86Å; F12-F109 HydrophobicContact CZ-CZ 3.86Å; I82-F109 HydrophobicContact CD1-CD1 3.75Å; I82-F109 HydrophobicContact CD1-CD2 4.37Å; I82-F109 HydrophobicContact CD1-CE1 3.6Å; I82-F109 HydrophobicContact CD1-CE2 4.21Å; I82-F109 HydrophobicContact CD1-CG 4.14Å; I82-F109 HydrophobicContact CD1-CZ 3.82Å; I82-F109 HydrophobicContact CG2-CB 3.73Å; I82-F109 HydrophobicContact CG2-CD1 4.29Å; I82-F109 HydrophobicContact CG2-CD2 3.84Å; I82-F109 HydrophobicContact CG2-CG 3.68Å; I84-F109 HydrophobicContact CD1-CE2 4.34Å; I84-F109 HydrophobicContact CD1-CZ 4.43Å; Y102-F109 AromaticContact CE1-CD2 3.56Å; Y102-F109 HydrophobicContact CE1-CD2 3.56Å; Y102-F109 AromaticContact CE1-CE2 3.76Å; Y102-F109 HydrophobicContact CE1-CE2 3.76Å; Y102-F109 AromaticContact CZ-CD2 3.91Å; N105-F109 WeakPolarHBondContact O-CB 3.33Å; N105-F109 PolarHBondContact O-N 3.41Å; A106-F109 PolarHBondContact O-N 2.82Å; Q107-F109 VanDerWaalsContact C-N 3.25Å; Q107-F109 PolarHBondContact O-N 3.49Å; F109-R124 VanDerWaalsContact O-CZ 3.27Å; F109-R124 PolarHBondContact O-NH1 2.83Å; F109-R124 PolarHBondContact O-NH2 2.76Å; F109-I126 HydrophobicContact CE2-CD1 4.17Å; F109-F143 AromaticContact CE1-CE2 3.74Å; F109-F143 HydrophobicContact CE1-CE2 3.74Å; F109-F143 HydrophobicContact CE1-CZ 4.05Å; F109-F143 HydrophobicContact CE2-CE1 4.44Å; F109-F143 HydrophobicContact CE2-CE2 4.26Å; F109-F143 AromaticContact CE2-CZ 3.74Å; F109-F143 HydrophobicContact CE2-CZ 3.74Å; F109-F143 HydrophobicContact CZ-CD2 4.25Å; F109-F143 HydrophobicContact CZ-CE1 4.13Å; F109-F143 AromaticContact CZ-CE2 3.32Å; F109-F143 HydrophobicContact CZ-CE2 3.32Å; F109-F143 AromaticContact CZ-CZ 3.24Å; F109-F143 HydrophobicContact CZ-CZ 3.24Å; F109-T145 HydrophobicContact CE1-CG2 4.22Å |
| 110 | F | 87.6 | Confident | 84.3 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 4% | 0.044 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -86.9 | -23.9 | -177.2 | -66.6 | -69.4 | 0 | 0 | 0 | 113.1 | V10 L36 F77 I82 A106 T145 | V10-F110 HydrophobicContact CG1-CE1 3.62Å; V10-F110 HydrophobicContact CG1-CZ 3.72Å; L36-F110 HydrophobicContact CD1-CE2 3.87Å; L36-F110 HydrophobicContact CD1-CZ 4.36Å; L36-F110 HydrophobicContact CD2-CE2 3.89Å; L36-F110 HydrophobicContact CD2-CZ 3.65Å; F77-F110 HydrophobicContact CD2-CB 3.92Å; F77-F110 AromaticContact CD2-CD2 3.89Å; F77-F110 HydrophobicContact CD2-CD2 3.89Å; F77-F110 HydrophobicContact CD2-CG 4.27Å; F77-F110 HydrophobicContact CE2-CB 3.63Å; F77-F110 AromaticContact CE2-CD2 3.72Å; F77-F110 HydrophobicContact CE2-CD2 3.72Å; F77-F110 AromaticContact CE2-CG 3.84Å; F77-F110 HydrophobicContact CE2-CG 3.84Å; F77-F110 HydrophobicContact CG-CD2 4.32Å; F77-F110 HydrophobicContact CZ-CD2 4.03Å; F77-F110 HydrophobicContact CZ-CG 4.34Å; I82-F110 HydrophobicContact CD1-CZ 4.25Å; A106-F110 HydrophobicContact CB-CD2 4.15Å; A106-F110 HydrophobicContact CB-CE2 4.17Å; A106-F110 WeakPolarHBondContact O-CD2 3.26Å; A106-F110 PolarHBondContact O-N 2.94Å; F110-T145 HydrophobicContact CD1-CG2 4.12Å; F110-T145 HydrophobicContact CE1-CG2 3.69Å |
| 111 | G | 80.8 | Confident | 83.9 | Confident | 28 Ų | 28 | 61.8 Ų | 61.8 | 29% | 0.289 | 33% | 0.325 | S | S | . | . | trans | 78.4 | -169.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q107 V113 | Q107-G111 PolarHBondContact NE2-O 3.03Å; Q107-G111 VanDerWaalsContact NE2-O 3.08Å; Q107-G111 VanDerWaalsContact O-CA 3.3Å; Q107-G111 WeakPolarHBondContact O-CA 3.49Å; Q107-G111 PolarHBondContact O-N 2.79Å; G111-V113 PolarHBondContact O-N 2.8Å | ||
| 112 | E | 72.3 | Confident | 83.6 | Confident | 136 Ų | 136 | 67 Ų | 67 | 64% | 0.636 | 35% | 0.348 | S | S | * | . | trans | -71.9 | 126.1 | 175.5 | -65.9 | 177.2 | 169.9 | 0 | 0 | 109.9 | C74 | C74-E112 HydrophobicContact CB-CG 4.35Š| ||
| 113 | V | 72.5 | Confident | 83.4 | Confident | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.018 | 37% | 0.37 | C | S | . | . | trans | -116 | 91.7 | 177.4 | -171.3 | 0 | 0 | 0 | 0 | 108.7 | R73 F77 G111 H119 T147 F149 | R73-V113 VanDerWaalsContact CB-O 3.31Å; R73-V113 WeakPolarHBondContact CB-O 3.4Å; F77-V113 HydrophobicContact CE2-CG2 4.03Å; G111-V113 PolarHBondContact O-N 2.8Å; V113-H119 HydrophobicContact CG1-CB 3.91Å; V113-T147 HydrophobicContact CG1-CG2 4.16Å; V113-T147 HydrophobicContact CG2-CG2 4.32Å; V113-F149 HydrophobicContact CB-CD2 4.24Å; V113-F149 HydrophobicContact CB-CE2 3.65Å; V113-F149 HydrophobicContact CG1-CD2 3.64Å; V113-F149 HydrophobicContact CG1-CE2 3.46Å; V113-F149 VanDerWaalsContact CG1-CE2 3.46Å; V113-F149 HydrophobicContact CG2-CE2 4.21Å | ||
| 114 | D | 64.2 | Low | 83.4 | Confident | 90 Ų | 90 | 72.7 Ų | 72.7 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | trans | -95.3 | -17.3 | -169 | -64.6 | -13.7 | 0 | 0 | 0 | 113.4 | R73 C74 | R73-D114 PolarHBondContact NH1-O 2.81Å; C74-D114 PolarHBondContact SG-OD1 2.98Å | ||
| 115 | S | 61.9 | Low | 83.4 | Confident | 48 Ų | 48 | 71.6 Ų | 71.6 | 34% | 0.336 | 37% | 0.369 | S | S | . | . | trans | -83.8 | 150.8 | -168.1 | -164.2 | 0 | 0 | 0 | 0 | 114.2 | E117 | S115-E117 PolarHBondContact OG-N 2.79Š| ||
| 116 | V | 67.5 | Low | 83.6 | Confident | 104 Ų | 104 | 70.1 Ų | 70.1 | 63% | 0.63 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -69.8 | -28.5 | 163.3 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 117 | E | 76.5 | Confident | 84 | Confident | 143 Ų | 143 | 75.9 Ų | 75.9 | 67% | 0.668 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -83.8 | 152.8 | -179.2 | -62.6 | -179.2 | 170.7 | 0 | 0 | 111.1 | S115 H119 | S115-E117 PolarHBondContact OG-N 2.79Å; E117-H119 PolarHBondContact O-N 2.85Å; E117-H119 VanDerWaalsContact O-N 3.08Å |
| 118 | P | 80.3 | Confident | 84.4 | Confident | 82 Ų | 82 | 74.4 Ų | 74.4 | 53% | 0.532 | 38% | 0.379 | S | S | . | . | trans | -53.6 | 117.6 | 171 | -23.5 | 33.5 | 0 | 0 | 0 | 111 | V120 I146 T147 | P118-V120 PolarHBondContact O-N 2.87Å; P118-I146 HydrophobicContact CB-CG2 4.07Å; P118-T147 CarbonylContact C-O 3.6Å; P118-T147 WeakPolarHBondContact CA-O 3.45Å | ||
| 119 | H | 84.5 | Confident | 84.8 | Confident | 76 Ų | 76 | 75 Ų | 75 | 35% | 0.352 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 112.5 | 174.1 | -179.3 | 74.1 | 0 | 0 | 0 | 109.4 | V113 E117 I146 T147 | V113-H119 HydrophobicContact CG1-CB 3.91Å; E117-H119 PolarHBondContact O-N 2.85Å; E117-H119 VanDerWaalsContact O-N 3.08Å; H119-I146 CarbonylContact O-C 3.55Å; H119-I146 WeakPolarHBondContact O-CA 3.28Å; H119-T147 PolarHBondContact N-O 2.83Å; H119-T147 PolarHBondContact O-N 3.16Å |
| 120 | V | 88.7 | Confident | 85 | Confident | 86 Ų | 86 | 80.8 Ų | 80.8 | 52% | 0.521 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 118.2 | 172.3 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | P118 T144 I146 | P118-V120 PolarHBondContact O-N 2.87Å; V120-T144 HydrophobicContact CG1-CG2 4.17Å; V120-I146 HydrophobicContact CG1-CG1 4.24Å; V120-I146 HydrophobicContact CG2-CD1 4.38Å; V120-I146 HydrophobicContact CG2-CG1 4.09Å; V120-I146 HydrophobicContact CG2-CG2 4.04Å |
| 121 | S | 88.2 | Confident | 85.4 | Confident | 13 Ų | 13 | 81.9 Ų | 81.9 | 9% | 0.091 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 154.1 | 174.5 | 78.2 | 0 | 0 | 0 | 0 | 110.6 | T144 T145 | S121-T144 WeakPolarHBondContact O-CG2 3.47Å; S121-T145 WeakPolarHBondContact CB-OG1 3.12Å; S121-T145 PolarHBondContact N-O 2.76Å; S121-T145 PolarHBondContact OG-N 3.08Å; S121-T145 PolarHBondContact OG-O 3.26Å; S121-T145 PolarHBondContact OG-OG1 3.04Å |
| 122 | K | 91 | Very high | 86 | Confident | 187 Ų | 187 | 88.5 Ų | 88.5 | 81% | 0.813 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 163.6 | 159.1 | -65.4 | -178.3 | -179.3 | 178.8 | 0 | 109.6 | R124 | K122-R124 WeakPolarHBondContact O-CG 3.43Å; K122-R124 PolarHBondContact O-N 3.22Å |
| 123 | I | 94.4 | Very high | 86.9 | Confident | 119 Ų | 119 | 85.8 Ų | 85.8 | 61% | 0.61 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 125.2 | 168.6 | -63.1 | 172.6 | 0 | 0 | 0 | 107.4 | ||
| 124 | R | 95.8 | Very high | 87.9 | Confident | 82 Ų | 82 | 85.8 Ų | 85.8 | 31% | 0.309 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 154.9 | 179.9 | -69.6 | -179.1 | 69.4 | -179.6 | -4 | 110.4 | F109 K122 K142 F143 | F109-R124 VanDerWaalsContact O-CZ 3.27Å; F109-R124 PolarHBondContact O-NH1 2.83Å; F109-R124 PolarHBondContact O-NH2 2.76Å; K122-R124 WeakPolarHBondContact O-CG 3.43Å; K122-R124 PolarHBondContact O-N 3.22Å; R124-K142 WeakPolarHBondContact O-CA 3.33Å; R124-F143 HydrophobicContact CB-CE1 4.02Å; R124-F143 HydrophobicContact CB-CE2 4.15Å; R124-F143 HydrophobicContact CB-CZ 3.78Å; R124-F143 PolarHBondContact N-O 3.2Å; R124-F143 PolarHBondContact O-N 3.24Å |
| 125 | E | 96.4 | Very high | 89 | Confident | 82 Ų | 82 | 86.5 Ų | 86.5 | 38% | 0.383 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 132.9 | 177.5 | -172.3 | 164.8 | -178.1 | 0 | 0 | 109.6 | R140 M141 K142 | E125-R140 HydrophobicContact CG-CB 4.46Å; E125-R140 WeakPolarHBondContact OE1-CB 3.42Å; E125-R140 WeakPolarHBondContact OE1-CD 3.33Å; E125-R140 IonicContact OE1-CZ 3.88Å; E125-R140 IonicContact OE1-NE 2.79Å; E125-R140 IonicContact OE1-NH1 3.89Å; E125-R140 PolarHBondContact OE1-NH1 2.9Å; E125-R140 IonicContact OE2-NH1 2.9Å; E125-M141 WeakPolarHBondContact CA-O 3.17Å; E125-K142 HydrophobicContact CB-CG 4.37Å; E125-K142 HydrophobicContact CG-CG 4.16Å; E125-K142 VanDerWaalsContact OE2-CE 3.28Å; E125-K142 WeakPolarHBondContact OE2-CE 3.3Å |
| 126 | I | 96.8 | Very high | 90.3 | Very high | 14 Ų | 14 | 84.7 Ų | 84.7 | 7% | 0.072 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 156.1 | 174.6 | 61.7 | 177.1 | 0 | 0 | 0 | 110 | I84 Y102 F109 L128 R140 M141 F143 | I84-I126 HydrophobicContact CD1-CD1 3.88Å; Y102-I126 HydrophobicContact CD1-CD1 4.16Å; Y102-I126 HydrophobicContact CD2-CB 4.47Å; Y102-I126 HydrophobicContact CD2-CD1 4.01Å; Y102-I126 HydrophobicContact CE1-CD1 4.34Å; Y102-I126 HydrophobicContact CE2-CB 4.21Å; Y102-I126 HydrophobicContact CE2-CD1 4.17Å; Y102-I126 HydrophobicContact CE2-CG2 4.29Å; Y102-I126 HydrophobicContact CG-CD1 3.99Å; F109-I126 HydrophobicContact CE2-CD1 4.17Å; I126-L128 HydrophobicContact CD1-CD2 4.23Å; I126-L128 HydrophobicContact CG1-CD2 4.49Å; I126-R140 CarbonylContact O-C 3.56Å; I126-R140 WeakPolarHBondContact O-CA 3.38Å; I126-M141 HydrophobicContact CD1-CE 3.98Å; I126-M141 HydrophobicContact CG1-CB 4.02Å; I126-M141 HydrophobicContact CG1-CE 4.48Å; I126-M141 PolarHBondContact N-O 2.77Å; I126-M141 PolarHBondContact O-N 2.86Å; I126-F143 HydrophobicContact CB-CE1 4.32Å; I126-F143 HydrophobicContact CD1-CE1 3.9Å; I126-F143 HydrophobicContact CG1-CD1 4.4Å; I126-F143 HydrophobicContact CG1-CE1 3.82Å; I126-F143 HydrophobicContact CG2-CE1 3.79Å; I126-F143 HydrophobicContact CG2-CZ 4.2Å |
| 127 | F | 97.2 | Very high | 91.5 | Very high | 121 Ų | 121 | 82.2 Ų | 82.2 | 53% | 0.531 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 130.4 | 170 | -70.7 | -95.5 | 0 | 0 | 0 | 110.2 | P138 I139 R140 | F127-P138 HydrophobicContact CD1-CB 3.82Å; F127-P138 HydrophobicContact CE1-CB 4.16Å; F127-I139 CarbonylContact C-O 3.42Å; F127-I139 VanDerWaalsContact CA-O 3.31Å; F127-I139 WeakPolarHBondContact CA-O 3.14Å; F127-R140 HydrophobicContact CD1-CG 3.56Å; F127-R140 VanDerWaalsContact CE1-CD 3.44Å; F127-R140 HydrophobicContact CE1-CG 3.22Å; F127-R140 HydrophobicContact CE2-CG 4.44Å; F127-R140 HydrophobicContact CG-CG 4.33Å; F127-R140 HydrophobicContact CZ-CG 3.71Å |
| 128 | L | 97.5 | Very high | 92.2 | Very high | 6 Ų | 6 | 78.8 Ų | 78.8 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 138.9 | 170 | -49 | -177.9 | 0 | 0 | 0 | 109.4 | I84 L86 A100 Y102 I126 R130 I139 | I84-L128 HydrophobicContact CG2-CD2 4.29Å; L86-L128 HydrophobicContact CB-CD1 4.27Å; A100-L128 HydrophobicContact CB-CB 3.72Å; A100-L128 HydrophobicContact CB-CD1 4.24Å; Y102-L128 HydrophobicContact CG-CD2 4.45Å; I126-L128 HydrophobicContact CD1-CD2 4.23Å; I126-L128 HydrophobicContact CG1-CD2 4.49Å; L128-R130 PolarHBondContact O-N 3.44Å; L128-I139 HydrophobicContact CB-CB 4.24Å; L128-I139 HydrophobicContact CD1-CG2 4.01Å; L128-I139 HydrophobicContact CG-CG2 4.36Å; L128-I139 PolarHBondContact N-O 2.89Å |
| 129 | R | 96.3 | Very high | 93 | Very high | 145 Ų | 145 | 74.9 Ų | 74.9 | 55% | 0.547 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 124.4 | 171.5 | -65.2 | -178.2 | 176.6 | -168.9 | -5.2 | 108.8 | A100 F101 | A100-R129 CarbonylContact C-O 3.55Å; A100-R129 WeakPolarHBondContact CA-O 3.14Å; A100-R129 WeakPolarHBondContact CB-O 3.5Å; F101-R129 HydrophobicContact CD1-CB 4.26Å; F101-R129 WeakPolarHBondContact CD1-O 3.08Å; F101-R129 HydrophobicContact CE1-CB 3.9Å; F101-R129 HydrophobicContact CE2-CB 4.22Å; F101-R129 HydrophobicContact CZ-CB 3.88Å; F101-R129 PolarHBondContact N-O 2.61Å; F101-R129 WeakPolarHBondContact O-CB 3.33Å; F101-R129 PolarHBondContact O-N 3.2Å |
| 130 | R | 95.7 | Very high | 93.6 | Very high | 122 Ų | 122 | 75.2 Ų | 75.2 | 46% | 0.46 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 147.4 | 178.8 | -60.7 | 179.7 | -64.2 | 123.6 | -0.2 | 110.5 | L128 F134 G136 P137 I139 | L128-R130 PolarHBondContact O-N 3.44Å; R130-F134 HydrophobicContact CG-CD1 3.93Å; R130-F134 PolarHBondContact NH1-O 3.44Å; R130-G136 WeakPolarHBondContact CD-O 3.44Å; R130-G136 PolarHBondContact NH1-O 2.89Å; R130-G136 VanDerWaalsContact NH1-O 3.15Å; R130-P137 WeakPolarHBondContact CD-O 3.2Å; R130-I139 HydrophobicContact CG-CG1 4.48Å |
| 131 | T | 95 | Very high | 94 | Very high | 32 Ų | 32 | 71.1 Ų | 71.1 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | trans | -93.8 | 175.9 | 165.8 | 70.2 | 0 | 0 | 0 | 0 | 110 | S98 L99 F101 N133 F134 | S98-T131 PolarHBondContact O-OG1 3.35Å; L99-T131 WeakPolarHBondContact CA-OG1 3.26Å; L99-T131 WeakPolarHBondContact O-CB 3.07Å; L99-T131 PolarHBondContact O-N 2.82Å; L99-T131 PolarHBondContact O-OG1 2.75Å; F101-T131 HydrophobicContact CD1-CG2 4.01Å; F101-T131 HydrophobicContact CE1-CG2 4.43Å; T131-N133 PolarHBondContact O-N 2.81Å; T131-N133 PolarHBondContact OG1-N 3.01Å; T131-N133 VanDerWaalsContact OG1-N 3.16Å; T131-F134 PolarHBondContact O-N 3.17Å | ||
| 132 | I | 92.9 | Very high | 94.5 | Very high | 168 Ų | 168 | 74.2 Ų | 74.2 | 86% | 0.862 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -20.4 | 171.6 | 61.9 | 171.5 | 0 | 0 | 0 | 113.4 | F134 | I132-F134 VanDerWaalsContact C-N 3.26Å; I132-F134 PolarHBondContact O-N 2.85Å |
| 133 | N | 91.8 | Very high | 94.8 | Very high | 79 Ų | 79 | 65.3 Ų | 65.3 | 42% | 0.422 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -2.3 | -178.8 | -59.1 | -42.9 | 0 | 0 | 0 | 113 | S98 L99 T131 | S98-N133 PolarHBondContact O-ND2 2.99Å; L99-N133 HydrophobicContact CD2-CB 3.98Å; T131-N133 PolarHBondContact O-N 2.81Å; T131-N133 PolarHBondContact OG1-N 3.01Å; T131-N133 VanDerWaalsContact OG1-N 3.16Å |
| 134 | F | 92.8 | Very high | 94.9 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.009 | 30% | 0.296 | C | S | . | . | trans | -123.7 | 101.7 | -177.4 | -167.4 | -86.7 | 0 | 0 | 0 | 111.4 | A19 T22 L24 F50 L99 R130 T131 I132 G136 P137 I139 | A19-F134 HydrophobicContact CB-CE1 4.32Å; A19-F134 HydrophobicContact CB-CZ 3.66Å; T22-F134 HydrophobicContact CG2-CE1 4.19Å; T22-F134 HydrophobicContact CG2-CE2 3.74Å; T22-F134 HydrophobicContact CG2-CZ 3.49Å; T22-F134 VanDerWaalsContact CG2-CZ 3.49Å; L24-F134 HydrophobicContact CD2-CD2 3.77Å; L24-F134 HydrophobicContact CD2-CE2 3.8Å; F50-F134 HydrophobicContact CE2-CE2 4.19Å; F50-F134 HydrophobicContact CE2-CZ 4.48Å; F50-F134 HydrophobicContact CZ-CE2 4.04Å; F50-F134 HydrophobicContact CZ-CZ 4.38Å; L99-F134 HydrophobicContact CB-CB 4.31Å; L99-F134 HydrophobicContact CB-CD2 4Å; L99-F134 HydrophobicContact CD1-CD2 4.35Å; L99-F134 VanDerWaalsContact O-CB 3.26Å; L99-F134 WeakPolarHBondContact O-CB 3.38Å; R130-F134 HydrophobicContact CG-CD1 3.93Å; R130-F134 PolarHBondContact NH1-O 3.44Å; T131-F134 PolarHBondContact O-N 3.17Å; I132-F134 VanDerWaalsContact C-N 3.26Å; I132-F134 PolarHBondContact O-N 2.85Å; F134-G136 VanDerWaalsContact C-N 3.34Å; F134-G136 VanDerWaalsContact CE1-CA 3.47Å; F134-P137 WeakPolarHBondContact CE1-O 3.45Å; F134-I139 HydrophobicContact CD1-CD1 3.84Å; F134-I139 HydrophobicContact CD1-CG1 4.05Å; F134-I139 HydrophobicContact CD2-CD1 3.79Å; F134-I139 HydrophobicContact CE1-CD1 3.56Å; F134-I139 HydrophobicContact CE1-CG1 3.48Å; F134-I139 VanDerWaalsContact CE1-CG1 3.48Å; F134-I139 HydrophobicContact CE2-CD1 3.49Å; F134-I139 VanDerWaalsContact CE2-CD1 3.49Å; F134-I139 HydrophobicContact CE2-CG1 4.23Å; F134-I139 HydrophobicContact CG-CD1 3.93Å; F134-I139 HydrophobicContact CZ-CD1 3.37Å; F134-I139 HydrophobicContact CZ-CG1 3.58Å | ||
| 135 | S | 88.5 | Confident | 94.9 | Very high | 105 Ų | 105 | 56.6 Ų | 56.6 | 73% | 0.734 | 28% | 0.281 | S | S | * | . | trans | -79.3 | -12.5 | -178.7 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 136 | G | 89.1 | Confident | 94.7 | Very high | 10 Ų | 10 | 54.6 Ų | 54.6 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -72.9 | 177.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R130 F134 | R130-G136 WeakPolarHBondContact CD-O 3.44Å; R130-G136 PolarHBondContact NH1-O 2.89Å; R130-G136 VanDerWaalsContact NH1-O 3.15Å; F134-G136 VanDerWaalsContact C-N 3.34Å; F134-G136 VanDerWaalsContact CE1-CA 3.47Å |
| 137 | P | 91.4 | Very high | 94.4 | Very high | 52 Ų | 52 | 54 Ų | 54 | 34% | 0.338 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -64.9 | 171.4 | 175.2 | 27.5 | -35.4 | 0 | 0 | 0 | 112.9 | P20 T22 R130 F134 I139 | P20-P137 WeakPolarHBondContact O-CG 3.12Å; T22-P137 WeakPolarHBondContact OG1-CD 3.49Å; R130-P137 WeakPolarHBondContact CD-O 3.2Å; F134-P137 WeakPolarHBondContact CE1-O 3.45Å; P137-I139 PolarHBondContact O-N 2.82Å |
| 138 | P | 91.6 | Very high | 94 | Very high | 71 Ų | 71 | 49.9 Ų | 49.9 | 46% | 0.461 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -49.7 | 131.3 | 175.9 | -27.8 | 35.8 | 0 | 0 | 0 | 112.7 | F127 | F127-P138 HydrophobicContact CD1-CB 3.82Å; F127-P138 HydrophobicContact CE1-CB 4.16Å |
| 139 | I | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 126.8 | -177.3 | -54.6 | -172.8 | 0 | 0 | 0 | 109 | I17 A19 L86 A100 F127 L128 R130 F134 P137 | I17-I139 HydrophobicContact CG2-CG2 3.22Å; A19-I139 HydrophobicContact CB-CG1 4.06Å; L86-I139 HydrophobicContact CD2-CD1 3.73Å; A100-I139 HydrophobicContact CB-CD1 3.54Å; A100-I139 HydrophobicContact CB-CG1 4.39Å; F127-I139 CarbonylContact C-O 3.42Å; F127-I139 VanDerWaalsContact CA-O 3.31Å; F127-I139 WeakPolarHBondContact CA-O 3.14Å; L128-I139 HydrophobicContact CB-CB 4.24Å; L128-I139 HydrophobicContact CD1-CG2 4.01Å; L128-I139 HydrophobicContact CG-CG2 4.36Å; L128-I139 PolarHBondContact N-O 2.89Å; R130-I139 HydrophobicContact CG-CG1 4.48Å; F134-I139 HydrophobicContact CD1-CD1 3.84Å; F134-I139 HydrophobicContact CD1-CG1 4.05Å; F134-I139 HydrophobicContact CD2-CD1 3.79Å; F134-I139 HydrophobicContact CE1-CD1 3.56Å; F134-I139 HydrophobicContact CE1-CG1 3.48Å; F134-I139 VanDerWaalsContact CE1-CG1 3.48Å; F134-I139 HydrophobicContact CE2-CD1 3.49Å; F134-I139 VanDerWaalsContact CE2-CD1 3.49Å; F134-I139 HydrophobicContact CE2-CG1 4.23Å; F134-I139 HydrophobicContact CG-CD1 3.93Å; F134-I139 HydrophobicContact CZ-CD1 3.37Å; F134-I139 HydrophobicContact CZ-CG1 3.58Å; P137-I139 PolarHBondContact O-N 2.82Å |
| 140 | R | 97.4 | Very high | 92.7 | Very high | 84 Ų | 84 | 48.9 Ų | 48.9 | 32% | 0.317 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 137.5 | 177.2 | -63.9 | -179.1 | -53.8 | 140.5 | -14 | 110.1 | I17 C18 E125 I126 F127 | I17-R140 CarbonylContact C-O 3.51Å; I17-R140 VanDerWaalsContact CA-O 3.32Å; I17-R140 WeakPolarHBondContact CA-O 3.31Å; C18-R140 HydrophobicContact CB-CB 4.37Å; C18-R140 PolarHBondContact N-O 3.32Å; C18-R140 PolarHBondContact O-N 3.42Å; E125-R140 HydrophobicContact CG-CB 4.46Å; E125-R140 WeakPolarHBondContact OE1-CB 3.42Å; E125-R140 WeakPolarHBondContact OE1-CD 3.33Å; E125-R140 IonicContact OE1-CZ 3.88Å; E125-R140 IonicContact OE1-NE 2.79Å; E125-R140 IonicContact OE1-NH1 3.89Å; E125-R140 PolarHBondContact OE1-NH1 2.9Å; E125-R140 IonicContact OE2-NH1 2.9Å; I126-R140 CarbonylContact O-C 3.56Å; I126-R140 WeakPolarHBondContact O-CA 3.38Å; F127-R140 HydrophobicContact CD1-CG 3.56Å; F127-R140 VanDerWaalsContact CE1-CD 3.44Å; F127-R140 HydrophobicContact CE1-CG 3.22Å; F127-R140 HydrophobicContact CE2-CG 4.44Å; F127-R140 HydrophobicContact CG-CG 4.33Å; F127-R140 HydrophobicContact CZ-CG 3.71Å |
| 141 | M | 97.9 | Very high | 92 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129 | 174.5 | -174.1 | -179.3 | 102.8 | 0 | 0 | 109.7 | F12 V14 C16 I17 L32 I84 E125 I126 F143 | F12-M141 HydrophobicContact CE1-CE 3.47Å; F12-M141 VanDerWaalsContact CE1-CE 3.47Å; F12-M141 HydrophobicContact CZ-CE 3.46Å; F12-M141 VanDerWaalsContact CZ-CE 3.46Å; V14-M141 HydrophobicContact CG1-CG 4.39Å; V14-M141 HydrophobicContact CG1-SD 4.45Å; C16-M141 WeakPolarHBondContact O-CA 3.32Å; I17-M141 HydrophobicContact CG1-CB 4.46Å; I17-M141 HydrophobicContact CG1-CG 4.14Å; L32-M141 HydrophobicContact CD1-SD 3.96Å; I84-M141 HydrophobicContact CD1-CE 3.88Å; I84-M141 HydrophobicContact CG2-SD 4.06Å; E125-M141 WeakPolarHBondContact CA-O 3.17Å; I126-M141 HydrophobicContact CD1-CE 3.98Å; I126-M141 HydrophobicContact CG1-CB 4.02Å; I126-M141 HydrophobicContact CG1-CE 4.48Å; I126-M141 PolarHBondContact N-O 2.77Å; I126-M141 PolarHBondContact O-N 2.86Å; M141-F143 HydrophobicContact CE-CB 3.99Å; M141-F143 HydrophobicContact CE-CD1 3.46Å; M141-F143 VanDerWaalsContact CE-CD1 3.46Å; M141-F143 HydrophobicContact CE-CE1 4.14Å; M141-F143 HydrophobicContact CE-CG 3.81Å |
| 142 | K | 97.8 | Very high | 91.3 | Very high | 78 Ų | 78 | 47.8 Ų | 47.8 | 34% | 0.339 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 132.4 | 173.8 | -67.2 | -174.3 | 176.9 | -175.1 | 0 | 110.5 | H15 C16 R124 E125 | H15-K142 HydrophobicContact CB-CB 4.36Å; H15-K142 WeakPolarHBondContact CB-O 3.47Å; H15-K142 PolarHBondContact N-O 3.01Å; C16-K142 PolarHBondContact N-O 2.84Å; C16-K142 PolarHBondContact O-N 2.81Å; R124-K142 WeakPolarHBondContact O-CA 3.33Å; E125-K142 HydrophobicContact CB-CG 4.37Å; E125-K142 HydrophobicContact CG-CG 4.16Å; E125-K142 VanDerWaalsContact OE2-CE 3.28Å; E125-K142 WeakPolarHBondContact OE2-CE 3.3Å |
| 143 | F | 97.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 165.3 | -176.4 | 66.8 | -81.7 | 0 | 0 | 0 | 112.3 | F12 I13 H15 F109 R124 I126 M141 T145 | F12-F143 HydrophobicContact CE1-CB 3.81Å; F12-F143 HydrophobicContact CE1-CD2 4.03Å; F12-F143 AromaticContact CE1-CG 3.95Å; F12-F143 HydrophobicContact CE1-CG 3.95Å; F12-F143 AromaticContact CE2-CD2 3.98Å; F12-F143 HydrophobicContact CE2-CD2 3.98Å; F12-F143 HydrophobicContact CE2-CE2 4.19Å; F12-F143 HydrophobicContact CZ-CB 4.15Å; F12-F143 HydrophobicContact CZ-CD1 4.35Å; F12-F143 AromaticContact CZ-CD2 3.55Å; F12-F143 HydrophobicContact CZ-CD2 3.55Å; F12-F143 HydrophobicContact CZ-CE2 4.03Å; F12-F143 AromaticContact CZ-CG 3.75Å; F12-F143 HydrophobicContact CZ-CG 3.75Å; I13-F143 CarbonylContact O-C 3.59Å; I13-F143 WeakPolarHBondContact O-CA 3.48Å; I13-F143 VanDerWaalsContact O-CB 3.26Å; I13-F143 WeakPolarHBondContact O-CB 3.36Å; H15-F143 VanDerWaalsContact CD2-CA 3.5Å; H15-F143 WeakPolarHBondContact CD2-CA 3.36Å; F109-F143 AromaticContact CE1-CE2 3.74Å; F109-F143 HydrophobicContact CE1-CE2 3.74Å; F109-F143 HydrophobicContact CE1-CZ 4.05Å; F109-F143 HydrophobicContact CE2-CE1 4.44Å; F109-F143 HydrophobicContact CE2-CE2 4.26Å; F109-F143 AromaticContact CE2-CZ 3.74Å; F109-F143 HydrophobicContact CE2-CZ 3.74Å; F109-F143 HydrophobicContact CZ-CD2 4.25Å; F109-F143 HydrophobicContact CZ-CE1 4.13Å; F109-F143 AromaticContact CZ-CE2 3.32Å; F109-F143 HydrophobicContact CZ-CE2 3.32Å; F109-F143 AromaticContact CZ-CZ 3.24Å; F109-F143 HydrophobicContact CZ-CZ 3.24Å; R124-F143 HydrophobicContact CB-CE1 4.02Å; R124-F143 HydrophobicContact CB-CE2 4.15Å; R124-F143 HydrophobicContact CB-CZ 3.78Å; R124-F143 PolarHBondContact N-O 3.2Å; R124-F143 PolarHBondContact O-N 3.24Å; I126-F143 HydrophobicContact CB-CE1 4.32Å; I126-F143 HydrophobicContact CD1-CE1 3.9Å; I126-F143 HydrophobicContact CG1-CD1 4.4Å; I126-F143 HydrophobicContact CG1-CE1 3.82Å; I126-F143 HydrophobicContact CG2-CE1 3.79Å; I126-F143 HydrophobicContact CG2-CZ 4.2Å; M141-F143 HydrophobicContact CE-CB 3.99Å; M141-F143 HydrophobicContact CE-CD1 3.46Å; M141-F143 VanDerWaalsContact CE-CD1 3.46Å; M141-F143 HydrophobicContact CE-CE1 4.14Å; M141-F143 HydrophobicContact CE-CG 3.81Å; F143-T145 HydrophobicContact CD2-CG2 3.78Å; F143-T145 HydrophobicContact CE2-CG2 3.76Å |
| 144 | T | 96.9 | Very high | 88.9 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 9% | 0.092 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144.8 | 169.8 | -64.8 | 0 | 0 | 0 | 0 | 108.7 | I13 H15 V120 S121 | I13-T144 HydrophobicContact CD1-CG2 4.47Å; I13-T144 PolarHBondContact N-O 3.33Å; I13-T144 PolarHBondContact O-N 3.49Å; H15-T144 PolarHBondContact NE2-OG1 2.75Å; V120-T144 HydrophobicContact CG1-CG2 4.17Å; S121-T144 WeakPolarHBondContact O-CG2 3.47Å |
| 145 | T | 94.8 | Very high | 87.2 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 136.3 | 175.2 | 58 | 0 | 0 | 0 | 0 | 110.2 | Q11 F12 F109 F110 S121 F143 | Q11-T145 CarbonylContact O-C 3.5Å; Q11-T145 VanDerWaalsContact O-CA 3.29Å; Q11-T145 WeakPolarHBondContact O-CA 3.05Å; F12-T145 HydrophobicContact CD2-CG2 3.95Å; F12-T145 HydrophobicContact CE2-CG2 4.1Å; F109-T145 HydrophobicContact CE1-CG2 4.22Å; F110-T145 HydrophobicContact CD1-CG2 4.12Å; F110-T145 HydrophobicContact CE1-CG2 3.69Å; S121-T145 WeakPolarHBondContact CB-OG1 3.12Å; S121-T145 PolarHBondContact N-O 2.76Å; S121-T145 PolarHBondContact OG-N 3.08Å; S121-T145 PolarHBondContact OG-O 3.26Å; S121-T145 PolarHBondContact OG-OG1 3.04Å; F143-T145 HydrophobicContact CD2-CG2 3.78Å; F143-T145 HydrophobicContact CE2-CG2 3.76Å |
| 146 | I | 93.5 | Very high | 85.4 | Confident | 41 Ų | 41 | 52.1 Ų | 52.1 | 21% | 0.21 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 116.3 | 169 | -51.3 | 179.6 | 0 | 0 | 0 | 107 | V10 Q11 I13 P118 H119 V120 | V10-I146 CarbonylContact C-O 3.5Å; V10-I146 WeakPolarHBondContact CA-O 3.22Å; Q11-I146 HydrophobicContact CB-CB 4.13Å; Q11-I146 PolarHBondContact N-O 2.76Å; Q11-I146 PolarHBondContact O-N 3.07Å; I13-I146 HydrophobicContact CD1-CD1 3.96Å; I13-I146 HydrophobicContact CD1-CG1 4.26Å; P118-I146 HydrophobicContact CB-CG2 4.07Å; H119-I146 CarbonylContact O-C 3.55Å; H119-I146 WeakPolarHBondContact O-CA 3.28Å; V120-I146 HydrophobicContact CG1-CG1 4.24Å; V120-I146 HydrophobicContact CG2-CD1 4.38Å; V120-I146 HydrophobicContact CG2-CG1 4.09Å; V120-I146 HydrophobicContact CG2-CG2 4.04Å |
| 147 | T | 90.8 | Very high | 83.4 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 125.7 | -177.9 | -56.4 | 0 | 0 | 0 | 0 | 109.6 | D9 V10 F77 V113 P118 H119 F149 | D9-T147 CarbonylContact O-C 3.45Å; D9-T147 WeakPolarHBondContact O-CA 3.5Å; V10-T147 HydrophobicContact CG2-CG2 4.06Å; F77-T147 HydrophobicContact CE2-CG2 4.38Å; F77-T147 HydrophobicContact CZ-CG2 3.87Å; V113-T147 HydrophobicContact CG1-CG2 4.16Å; V113-T147 HydrophobicContact CG2-CG2 4.32Å; P118-T147 CarbonylContact C-O 3.6Å; P118-T147 WeakPolarHBondContact CA-O 3.45Å; H119-T147 PolarHBondContact N-O 2.83Å; H119-T147 PolarHBondContact O-N 3.16Å; T147-F149 HydrophobicContact CG2-CD2 3.97Å; T147-F149 HydrophobicContact CG2-CE2 3.36Å; T147-F149 HydrophobicContact CG2-CZ 3.93Å |
| 148 | S | 88.1 | Confident | 81.4 | Confident | 34 Ų | 34 | 59.3 Ų | 59.3 | 24% | 0.238 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 143.2 | 174.1 | 66.7 | 0 | 0 | 0 | 0 | 111.2 | C8 D9 | C8-S148 WeakPolarHBondContact CA-O 3.1Å; D9-S148 PolarHBondContact N-O 2.89Å; D9-S148 PolarHBondContact O-N 2.86Å |
| 149 | F | 84 | Confident | 79.4 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 116.6 | 178.7 | -73.5 | -78.3 | 0 | 0 | 0 | 110 | L7 C8 I76 F77 V113 T147 | L7-F149 WeakPolarHBondContact O-CA 2.89Å; C8-F149 HydrophobicContact CB-CD1 3.79Å; C8-F149 HydrophobicContact CB-CE1 3.5Å; C8-F149 HydrophobicContact CB-CZ 4.38Å; C8-F149 WeakPolarHBondContact SG-CE1 3.11Å; C8-F149 VanDerWaalsContact SG-CZ 3.53Å; I76-F149 HydrophobicContact CB-CE1 4.03Å; I76-F149 HydrophobicContact CB-CZ 4.3Å; I76-F149 HydrophobicContact CD1-CD1 3.7Å; I76-F149 HydrophobicContact CD1-CE1 3.59Å; I76-F149 HydrophobicContact CD1-CG 4.39Å; I76-F149 HydrophobicContact CD1-CZ 4.2Å; I76-F149 HydrophobicContact CG1-CE1 4.41Å; I76-F149 HydrophobicContact CG2-CE1 3.66Å; I76-F149 HydrophobicContact CG2-CZ 4.27Å; F77-F149 HydrophobicContact CE1-CE1 4.41Å; F77-F149 AromaticContact CE1-CZ 3.83Å; F77-F149 HydrophobicContact CE1-CZ 3.83Å; F77-F149 HydrophobicContact CE2-CE2 4.37Å; F77-F149 AromaticContact CE2-CZ 3.94Å; F77-F149 HydrophobicContact CE2-CZ 3.94Å; F77-F149 HydrophobicContact CZ-CE1 4.39Å; F77-F149 HydrophobicContact CZ-CE2 4.1Å; F77-F149 AromaticContact CZ-CZ 3.44Å; F77-F149 HydrophobicContact CZ-CZ 3.44Å; F77-F149 VanDerWaalsContact CZ-CZ 3.44Å; V113-F149 HydrophobicContact CB-CD2 4.24Å; V113-F149 HydrophobicContact CB-CE2 3.65Å; V113-F149 HydrophobicContact CG1-CD2 3.64Å; V113-F149 HydrophobicContact CG1-CE2 3.46Å; V113-F149 VanDerWaalsContact CG1-CE2 3.46Å; V113-F149 HydrophobicContact CG2-CE2 4.21Å; T147-F149 HydrophobicContact CG2-CD2 3.97Å; T147-F149 HydrophobicContact CG2-CE2 3.36Å; T147-F149 HydrophobicContact CG2-CZ 3.93Å |
| 150 | Q | 83 | Confident | 77.3 | Confident | 122 Ų | 122 | 65.8 Ų | 65.8 | 57% | 0.57 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 126.1 | 177 | -172.5 | 178.9 | 2.4 | 0 | 0 | 110.4 | Y6 L7 I152 | Y6-Q150 CarbonylContact C-O 3.57Å; Y6-Q150 WeakPolarHBondContact CA-O 3.47Å; L7-Q150 PolarHBondContact N-O 2.65Å; L7-Q150 PolarHBondContact O-N 3.1Å; Q150-I152 PolarHBondContact O-N 2.82Å |
| 151 | K | 80.6 | Confident | 75 | Confident | 111 Ų | 111 | 70.5 Ų | 70.5 | 48% | 0.483 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 126.2 | 168.7 | -174.8 | -174.4 | 174.1 | -164.4 | 0 | 109.3 | K4 Y6 | K4-K151 HydrophobicContact CD-CD 4.46Å; Y6-K151 HydrophobicContact CD1-CB 4.21Å; Y6-K151 HydrophobicContact CE1-CB 4.07Å; Y6-K151 HydrophobicContact CE1-CG 4.24Å |
| 152 | I | 80 | Confident | 72.8 | Confident | 19 Ų | 19 | 80.1 Ų | 80.1 | 10% | 0.097 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 124.6 | 177 | -61.8 | 160.1 | 0 | 0 | 0 | 109 | I5 L7 Q150 I154 F160 | I5-I152 HydrophobicContact CB-CB 4.23Å; I5-I152 HydrophobicContact CG2-CB 4.32Å; I5-I152 HydrophobicContact CG2-CD1 3.76Å; I5-I152 PolarHBondContact O-N 3.4Å; L7-I152 HydrophobicContact CB-CD1 3.79Å; L7-I152 HydrophobicContact CB-CG1 4.21Å; Q150-I152 PolarHBondContact O-N 2.82Å; I152-I154 PolarHBondContact O-N 2.84Å; I152-F160 HydrophobicContact CD1-CE1 3.78Å; I152-F160 HydrophobicContact CD1-CZ 3.48Å; I152-F160 VanDerWaalsContact CD1-CZ 3.48Å; I152-F160 HydrophobicContact CG1-CZ 4.27Å; I152-F160 HydrophobicContact CG2-CE2 3.8Å; I152-F160 HydrophobicContact CG2-CZ 3.71Å |
| 153 | P | 70 | Confident | 70.4 | Confident | 76 Ų | 76 | 79.4 Ų | 79.4 | 49% | 0.494 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 128.6 | 172 | 28.1 | -31.1 | 0 | 0 | 0 | 110.5 | K155 H156 | P153-K155 PolarHBondContact O-N 2.8Å; P153-H156 PolarHBondContact O-N 2.88Å |
| 154 | I | 63.8 | Low | 68 | Low | 82 Ų | 82 | 84.1 Ų | 84.1 | 42% | 0.421 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -62.7 | -5.5 | -175.5 | -75.4 | 167.6 | 0 | 0 | 0 | 114.5 | C3 I5 I152 H156 H157 | C3-I154 WeakPolarHBondContact O-CD1 3.4Å; I5-I154 HydrophobicContact CD1-CG1 4.26Å; I5-I154 HydrophobicContact CG1-CG1 4.45Å; I152-I154 PolarHBondContact O-N 2.84Å; I154-H156 PolarHBondContact O-N 3.5Å; I154-H157 PolarHBondContact O-N 3.22Å |
| 155 | K | 57.6 | Low | 65.4 | Low | 197 Ų | 197 | 88 Ų | 88 | 86% | 0.857 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -62.3 | -9.5 | 173 | -61.2 | -170 | -179.7 | -175.3 | 0 | 114 | P153 | P153-K155 PolarHBondContact O-N 2.8Š|
| 156 | H | 49.9 | Very low | 62.8 | Low | 90 Ų | 90 | 89.9 Ų | 89.9 | 42% | 0.417 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -112.4 | 23.4 | -176.3 | -71 | -58.6 | 0 | 0 | 0 | 115.7 | P153 I154 S158 K159 | P153-H156 PolarHBondContact O-N 2.88Å; I154-H156 PolarHBondContact O-N 3.5Å; H156-S158 PolarHBondContact O-N 2.85Å; H156-K159 PolarHBondContact O-N 3.22Å |
| 157 | H | 48.1 | Very low | 60.3 | Low | 111 Ų | 111 | 91.7 Ų | 91.7 | 51% | 0.514 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -53.2 | -30.3 | -175.8 | -126.3 | -86.2 | 0 | 0 | 0 | 114.5 | I154 K159 F160 | I154-H157 PolarHBondContact O-N 3.22Å; H157-K159 PolarHBondContact O-N 3.44Å; H157-K159 VanDerWaalsContact O-N 3.11Å; H157-F160 PolarHBondContact O-N 2.95Å |
| 158 | S | 48.7 | Very low | 57.7 | Low | 103 Ų | 103 | 99.3 Ų | 99.3 | 72% | 0.72 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -64 | -14.4 | 177.9 | 57.9 | 0 | 0 | 0 | 0 | 115 | H156 | H156-S158 PolarHBondContact O-N 2.85Š|
| 159 | K | 50.6 | Low | 55.5 | Low | 153 Ų | 153 | 99.2 Ų | 99.2 | 67% | 0.665 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -88.6 | -9.7 | 177.9 | -68 | -173.9 | 177.7 | -179 | 0 | 113.8 | H156 H157 | H156-K159 PolarHBondContact O-N 3.22Å; H157-K159 PolarHBondContact O-N 3.44Å; H157-K159 VanDerWaalsContact O-N 3.11Å |
| 160 | F | 52.2 | Low | 53.4 | Low | 53 Ų | 53 | 104.6 Ų | 104.6 | 23% | 0.232 | 53% | 0.525 | C | S | . | . | G | 310 helix | trans | -93.2 | -8.4 | -170.5 | -76.5 | -89.4 | 0 | 0 | 0 | 115.2 | I63 I152 H157 K162 L163 | I63-F160 HydrophobicContact CD1-CD1 4.02Å; I63-F160 HydrophobicContact CD1-CE1 3.97Å; I152-F160 HydrophobicContact CD1-CE1 3.78Å; I152-F160 HydrophobicContact CD1-CZ 3.48Å; I152-F160 VanDerWaalsContact CD1-CZ 3.48Å; I152-F160 HydrophobicContact CG1-CZ 4.27Å; I152-F160 HydrophobicContact CG2-CE2 3.8Å; I152-F160 HydrophobicContact CG2-CZ 3.71Å; H157-F160 PolarHBondContact O-N 2.95Å; F160-K162 PolarHBondContact O-N 3.47Å; F160-L163 HydrophobicContact CD1-CD1 3.17Å; F160-L163 HydrophobicContact CD1-CG 4.46Å; F160-L163 HydrophobicContact CE1-CD1 3.38Å; F160-L163 HydrophobicContact CG-CD1 4.06Å; F160-L163 HydrophobicContact CZ-CD1 4.4Å; F160-L163 PolarHBondContact O-N 2.86Å; F160-L163 VanDerWaalsContact O-N 3.13Å |
| 161 | E | 49.4 | Very low | 51.6 | Low | 183 Ų | 183 | 101.3 Ų | 101.3 | 86% | 0.855 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -62.6 | -7.7 | 177.2 | -70 | -176.9 | 166.4 | 0 | 0 | 114.4 | ||
| 162 | K | 51.1 | Low | 49.6 | Very low | 202 Ų | 202 | 99.6 Ų | 99.6 | 88% | 0.878 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -109.1 | 3.6 | 178.7 | -66.7 | -173.9 | 179.6 | 179.9 | 0 | 114.7 | F160 | F160-K162 PolarHBondContact O-N 3.47Š|
| 163 | L | 47.2 | Very low | 47.8 | Very low | 64 Ų | 64 | 104.5 Ų | 104.5 | 34% | 0.335 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -92.9 | 132 | -178.5 | -79.7 | 152.5 | 0 | 0 | 0 | 110.8 | I63 F160 T165 | I63-L163 HydrophobicContact CD1-CB 4.02Å; I63-L163 HydrophobicContact CD1-CD1 3.82Å; I63-L163 HydrophobicContact CD1-CD2 4.34Å; I63-L163 HydrophobicContact CD1-CG 4.26Å; F160-L163 HydrophobicContact CD1-CD1 3.17Å; F160-L163 HydrophobicContact CD1-CG 4.46Å; F160-L163 HydrophobicContact CE1-CD1 3.38Å; F160-L163 HydrophobicContact CG-CD1 4.06Å; F160-L163 HydrophobicContact CZ-CD1 4.4Å; F160-L163 PolarHBondContact O-N 2.86Å; F160-L163 VanDerWaalsContact O-N 3.13Å; L163-T165 PolarHBondContact O-N 2.77Å; L163-T165 VanDerWaalsContact O-N 3.09Å |
| 164 | P | 47.4 | Very low | 46.2 | Very low | 98 Ų | 98 | 106.8 Ų | 106.8 | 64% | 0.636 | 55% | 0.546 | S | S | * | . | trans | -60.3 | 117.6 | 175.5 | 22.8 | -29.2 | 0 | 0 | 0 | 108.6 | C166 | P164-C166 PolarHBondContact O-N 3.09Š| ||
| 165 | T | 42.2 | Very low | 44.9 | Very low | 98 Ų | 98 | 105 Ų | 105 | 60% | 0.601 | 55% | 0.547 | S | S | * | . | trans | -75 | 78.7 | -179.8 | -16.3 | 0 | 0 | 0 | 0 | 108.1 | L163 Y167 | L163-T165 PolarHBondContact O-N 2.77Å; L163-T165 VanDerWaalsContact O-N 3.09Å; T165-Y167 PolarHBondContact O-N 2.78Å | ||
| 166 | C | 40.6 | Very low | 43.5 | Very low | 41 Ų | 41 | 106.7 Ų | 106.7 | 28% | 0.277 | 55% | 0.55 | S | S | . | . | trans | -82.6 | 103.5 | 169.3 | -64.2 | 0 | 0 | 0 | 0 | 107.6 | P164 | P164-C166 PolarHBondContact O-N 3.09Š| ||
| 167 | Y | 41.4 | Very low | 42.7 | Very low | 79 Ų | 79 | 110.6 Ų | 110.6 | 31% | 0.31 | 57% | 0.573 | S | S | . | * | trans | 75.6 | 130.6 | 172.7 | -47.9 | -89.8 | 0 | 0 | 0 | 119.3 | N38 T165 L169 | N38-Y167 HydrophobicContact CB-CE2 3.73Å; N38-Y167 WeakPolarHBondContact ND2-CE1 3.28Å; N38-Y167 PolarHBondContact ND2-OH 2.97Å; N38-Y167 VanDerWaalsContact ND2-OH 3.07Å; N38-Y167 PolarHBondContact OD1-OH 2.93Å; T165-Y167 PolarHBondContact O-N 2.78Å; Y167-L169 HydrophobicContact CD2-CD1 3.85Å; Y167-L169 HydrophobicContact CD2-CG 4.42Å; Y167-L169 HydrophobicContact CE2-CD1 4.48Å; Y167-L169 HydrophobicContact CG-CD1 3.93Å; Y167-L169 HydrophobicContact CG-CG 3.99Å; Y167-L169 PolarHBondContact O-N 2.91Å | ||
| 168 | N | 35.4 | Very low | 42 | Very low | 160 Ų | 160 | 111.3 Ų | 111.3 | 86% | 0.856 | 59% | 0.585 | S | S | * | * | trans | -66.6 | 71.1 | 140 | -64.3 | -30.2 | 0 | 0 | 0 | 108.6 | L170 | N168-L170 PolarHBondContact O-N 2.94Š| ||
| 169 | L | 43.2 | Very low | 41.2 | Very low | 33 Ų | 33 | 115 Ų | 115 | 17% | 0.173 | 59% | 0.591 | C | S | . | * | trans | -79.8 | 76.5 | 163.6 | -82.9 | 159.4 | 0 | 0 | 0 | 107 | F64 Y167 I171 | F64-L169 HydrophobicContact CD1-CD1 4.14Å; F64-L169 HydrophobicContact CE1-CD1 3.73Å; Y167-L169 HydrophobicContact CD2-CD1 3.85Å; Y167-L169 HydrophobicContact CD2-CG 4.42Å; Y167-L169 HydrophobicContact CE2-CD1 4.48Å; Y167-L169 HydrophobicContact CG-CD1 3.93Å; Y167-L169 HydrophobicContact CG-CG 3.99Å; Y167-L169 PolarHBondContact O-N 2.91Å; L169-I171 PolarHBondContact O-N 2.88Å | ||
| 170 | L | 40 | Very low | 40.3 | Very low | 121 Ų | 121 | 114.9 Ų | 114.9 | 63% | 0.634 | 60% | 0.598 | S | S | * | * | trans | -62 | 110.8 | 152.5 | -75.7 | 164 | 0 | 0 | 0 | 105 | N168 P172 | N168-L170 PolarHBondContact O-N 2.94Å; L170-P172 WeakPolarHBondContact O-CD 3.35Å; L170-P172 VanDerWaalsContact O-N 3.08Å | ||
| 171 | I | 44.1 | Very low | 39.3 | Very low | 54 Ų | 54 | 122.6 Ų | 122.6 | 28% | 0.277 | 63% | 0.631 | S | S | . | * | trans | -55.6 | 115.2 | 172 | -59.8 | 173 | 0 | 0 | 0 | 105.8 | V71 L169 D173 | V71-I171 HydrophobicContact CG1-CD1 4.04Å; L169-I171 PolarHBondContact O-N 2.88Å; I171-D173 PolarHBondContact O-N 2.9Å | ||
| 172 | P | 39.1 | Very low | 38.4 | Very low | 75 Ų | 75 | 122 Ų | 122 | 49% | 0.487 | 63% | 0.629 | S | S | . | * | trans | -58.5 | 135.2 | 179.4 | -19.8 | 31.4 | 0 | 0 | 0 | 109.1 | L170 D174 | L170-P172 WeakPolarHBondContact O-CD 3.35Å; L170-P172 VanDerWaalsContact O-N 3.08Å; P172-D174 VanDerWaalsContact C-N 3.34Å; P172-D174 PolarHBondContact O-N 2.79Å | ||
| 173 | D | 41.8 | Very low | 37.2 | Very low | 121 Ų | 121 | 119 Ų | 119 | 65% | 0.647 | 62% | 0.621 | S | S | * | * | trans | -64.4 | 95.8 | 171.9 | -83 | -34.6 | 0 | 0 | 0 | 108.6 | R68 I171 G175 | R68-D173 IonicContact CZ-OD1 3.5Å; R68-D173 IonicContact NE-OD1 3.7Å; R68-D173 PolarHBondContact NE-OD1 2.88Å; R68-D173 IonicContact NH2-OD1 3.76Å; R68-D173 PolarHBondContact NH2-OD1 2.75Å; I171-D173 PolarHBondContact O-N 2.9Å; D173-G175 PolarHBondContact O-N 3.18Å | ||
| 174 | D | 36.9 | Very low | 36.3 | Very low | 125 Ų | 125 | 123.2 Ų | 123.2 | 67% | 0.668 | 64% | 0.643 | S | S | * | * | trans | -71.7 | 84.7 | 168.4 | -64 | -27.5 | 0 | 0 | 0 | 108.1 | N78 P172 | N78-D174 PolarHBondContact ND2-OD2 3.15Å; N78-D174 VanDerWaalsContact ND2-OD2 3.13Å; P172-D174 VanDerWaalsContact C-N 3.34Å; P172-D174 PolarHBondContact O-N 2.79Å | ||
| 175 | G | 35.1 | Very low | 35.4 | Very low | 44 Ų | 44 | 124.7 Ų | 124.7 | 45% | 0.454 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -152.3 | 93 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | D173 L177 | D173-G175 PolarHBondContact O-N 3.18Å; G175-L177 PolarHBondContact O-N 2.9Å |
| 176 | Y | 30 | Very low | 34.8 | Very low | 232 Ų | 232 | 124.5 Ų | 124.5 | 91% | 0.91 | 65% | 0.649 | S | S | * | * | trans | 22 | 83.7 | 162.2 | -67.2 | -91 | 0 | 0 | 0 | 115.4 | ||||
| 177 | L | 32.6 | Very low | 34.1 | Very low | 172 Ų | 172 | 129.3 Ų | 129.3 | 90% | 0.901 | 67% | 0.671 | S | S | * | * | trans | -99.8 | 91 | 158.4 | -74.4 | 172.8 | 0 | 0 | 0 | 108 | G175 | G175-L177 PolarHBondContact O-N 2.9Š| ||
| 178 | T | 34 | Very low | 33.4 | Very low | 127 Ų | 127 | 130 Ų | 130 | 78% | 0.779 | 69% | 0.688 | S | S | * | * | trans | -41.4 | 149 | 150.9 | 5.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 179 | E | 31.3 | Very low | 33.2 | Very low | 180 Ų | 180 | 131.4 Ų | 131.4 | 84% | 0.841 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -42.6 | 151.8 | 176.1 | -61.3 | 171.2 | 159.7 | 0 | 0 | 112.7 | ||
| 180 | D | 30.4 | Very low | 32.4 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 80% | 0.802 | 71% | 0.714 | S | S | * | * | trans | 86.1 | 77.7 | 176.1 | -51.5 | -29.8 | 0 | 0 | 0 | 117.3 | ||||
| 181 | K | 32.8 | Very low | 31.9 | Very low | 215 Ų | 215 | 135.8 Ų | 135.8 | 94% | 0.935 | 72% | 0.716 | S | S | * | * | -161.9 | 98.1 | 127.6 | -104.4 | 158.6 | -170 | -178.5 | 0 | 112.1 | |||||
| 182 | Q | 29.5 | Very low | 31 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | trans | -45.2 | 146.9 | 160.4 | -87.5 | -177.2 | 13.6 | 0 | 0 | 114.4 | ||||
| 183 | L | 26 | Very low | 30.5 | Very low | 138 Ų | 138 | 146 Ų | 146 | 72% | 0.723 | 76% | 0.76 | S | S | * | * | trans | 78.4 | 105.5 | 145 | -62.5 | 158.5 | 0 | 0 | 0 | 117.8 | ||||
| 184 | L | 28.9 | Very low | 29.9 | Very low | 153 Ų | 153 | 143.8 Ų | 143.8 | 80% | 0.801 | 75% | 0.754 | S | S | * | * | -162.6 | 113.5 | 108.3 | -96.2 | 153.5 | 0 | 0 | 0 | 109.4 | |||||
| 185 | N | 27.7 | Very low | 29.4 | Very low | 130 Ų | 130 | 146 Ų | 146 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | 40.4 | 130.9 | 129.2 | -70.7 | -10.4 | 0 | 0 | 0 | 117.8 | |||||
| 186 | S | 29.8 | Very low | 29.2 | Very low | 94 Ų | 94 | 149 Ų | 149 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | cis | -175.9 | 134.2 | 24.2 | 39 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 187 | N | 27.1 | Very low | 29.1 | Very low | 141 Ų | 141 | 145 Ų | 145 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | 66.4 | 112.5 | 127.5 | -54.5 | -18.5 | 0 | 0 | 0 | 120.6 | |||||
| 188 | S | 26.8 | Very low | 29.1 | Very low | 94 Ų | 94 | 146.1 Ų | 146.1 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | 66 | 110.7 | 127 | 71.6 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 189 | F | 29.5 | Very low | 28.9 | Very low | 189 Ų | 189 | 146.9 Ų | 146.9 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | -161.2 | 73.2 | 119.3 | -106.3 | -76.7 | 0 | 0 | 0 | 109 | N191 | F189-N191 HydrophobicContact CD1-CB 4.44Å; F189-N191 PolarHBondContact O-N 3.15Å | |||
| 190 | T | 28.1 | Very low | 29 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | -63 | 109.2 | 137.4 | 42.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 191 | N | 28 | Very low | 29.2 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 66% | 0.658 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 168.9 | 121.8 | 149.4 | -82.1 | -21.1 | 0 | 0 | 0 | 110.1 | F189 | F189-N191 HydrophobicContact CD1-CB 4.44Å; F189-N191 PolarHBondContact O-N 3.15Å |
| 192 | H | 26.7 | Very low | 29.4 | Very low | 168 Ų | 168 | 139 Ų | 139 | 78% | 0.778 | 72% | 0.721 | S | S | * | * | trans | 51 | 79.8 | 153.8 | -74.3 | -84.1 | 0 | 0 | 0 | 118.1 | S194 | H192-S194 PolarHBondContact O-N 3.38Å; H192-S194 VanDerWaalsContact O-N 3.13Å | ||
| 193 | L | 27.9 | Very low | 29.6 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 92% | 0.916 | 72% | 0.72 | S | S | * | * | trans | -80.8 | 77.9 | 143.2 | -94.8 | 154.5 | 0 | 0 | 0 | 107.8 | F195 | L193-F195 PolarHBondContact O-N 3.42Š| ||
| 194 | S | 28.6 | Very low | 30 | Very low | 75 Ų | 75 | 134 Ų | 134 | 52% | 0.524 | 71% | 0.709 | S | S | . | * | trans | -50.1 | 123.1 | 158.3 | 48.8 | 0 | 0 | 0 | 0 | 108.3 | H192 V196 | H192-S194 PolarHBondContact O-N 3.38Å; H192-S194 VanDerWaalsContact O-N 3.13Å; S194-V196 VanDerWaalsContact C-N 3.33Å; S194-V196 PolarHBondContact O-N 3.31Å | ||
| 195 | F | 27.1 | Very low | 29.9 | Very low | 173 Ų | 173 | 136.2 Ų | 136.2 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | trans | -51 | 96.4 | 166.3 | -86.5 | -101.2 | 0 | 0 | 0 | 109.2 | V96 L193 | V96-F195 HydrophobicContact CB-CE1 4.42Å; L193-F195 PolarHBondContact O-N 3.42Å | ||
| 196 | V | 29.8 | Very low | 29.8 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 64% | 0.642 | 71% | 0.709 | S | S | * | * | trans | -100.2 | 101.7 | 167.3 | 177.4 | 0 | 0 | 0 | 0 | 106.6 | S194 R198 | S194-V196 VanDerWaalsContact C-N 3.33Å; S194-V196 PolarHBondContact O-N 3.31Å; V196-R198 PolarHBondContact O-N 2.87Å | ||
| 197 | N | 28.2 | Very low | 29.6 | Very low | 147 Ų | 147 | 137.8 Ų | 137.8 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | trans | -10.5 | 88.7 | 151.2 | -159.3 | 3.9 | 0 | 0 | 0 | 113.2 | ||||
| 198 | R | 33.7 | Very low | 29.6 | Very low | 197 Ų | 197 | 137.2 Ų | 137.2 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | trans | -110.6 | 113.9 | 167.1 | -76.9 | -173.9 | -179 | 178.6 | 1.7 | 106.9 | V196 C200 | V196-R198 PolarHBondContact O-N 2.87Å; R198-C200 PolarHBondContact O-N 2.85Å | ||
| 199 | N | 29 | Very low | 29.4 | Very low | 143 Ų | 143 | 138 Ų | 138 | 77% | 0.765 | 72% | 0.72 | S | S | * | * | trans | -52.9 | 86.5 | 161.8 | -71.7 | -30.5 | 0 | 0 | 0 | 108.6 | T201 | N199-T201 VanDerWaalsContact C-N 3.26Å; N199-T201 PolarHBondContact O-N 2.85Å | ||
| 200 | C | 34.4 | Very low | 29.3 | Very low | 80 Ų | 80 | 135.2 Ų | 135.2 | 54% | 0.541 | 71% | 0.712 | S | S | . | * | trans | -74.6 | 87 | 171.2 | -77.1 | 0 | 0 | 0 | 0 | 107.4 | R198 | R198-C200 PolarHBondContact O-N 2.85Š| ||
| 201 | T | 32.9 | Very low | 29.1 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 60% | 0.595 | 72% | 0.716 | S | S | * | * | trans | -60 | 146.8 | 158.8 | 50.8 | 0 | 0 | 0 | 0 | 108.3 | N199 D203 A204 | N199-T201 VanDerWaalsContact C-N 3.26Å; N199-T201 PolarHBondContact O-N 2.85Å; T201-D203 PolarHBondContact O-N 3.01Å; T201-A204 PolarHBondContact O-N 2.79Å | ||
| 202 | R | 38.7 | Very low | 29.1 | Very low | 201 Ų | 201 | 140.6 Ų | 140.6 | 76% | 0.758 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.5 | -13.5 | -177 | -86.8 | 178.7 | 163.5 | 173.9 | -7.3 | 114.5 | E56 | E56-R202 IonicContact OE1-NH2 2.68Š|
| 203 | D | 33.7 | Very low | 29.2 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.1 | 36.4 | 178 | -65.6 | -50 | 0 | 0 | 0 | 113.9 | T201 K205 | T201-D203 PolarHBondContact O-N 3.01Å; D203-K205 PolarHBondContact O-N 2.99Å |
| 204 | A | 32.5 | Very low | 29.5 | Very low | 59 Ų | 59 | 134.7 Ų | 134.7 | 49% | 0.488 | 70% | 0.702 | S | S | . | * | trans | -64 | 93.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | T201 C206 | T201-A204 PolarHBondContact O-N 2.79Å; A204-C206 PolarHBondContact O-N 2.95Å | ||
| 205 | K | 27 | Very low | 29.9 | Very low | 199 Ų | 199 | 138 Ų | 138 | 87% | 0.865 | 71% | 0.713 | S | S | * | * | trans | -57.6 | 105.4 | 164.7 | -76.3 | 177.3 | 176.9 | 174 | 0 | 108.6 | D203 L207 | D203-K205 PolarHBondContact O-N 2.99Å; K205-L207 PolarHBondContact O-N 3.39Å; K205-L207 VanDerWaalsContact O-N 3.08Å | ||
| 206 | C | 27.3 | Very low | 30.3 | Very low | 95 Ų | 95 | 139 Ų | 139 | 64% | 0.642 | 72% | 0.72 | S | S | * | * | trans | -67.7 | 104 | 165.2 | -116 | 0 | 0 | 0 | 0 | 108.3 | A204 I208 | A204-C206 PolarHBondContact O-N 2.95Å; C206-I208 PolarHBondContact O-N 3.39Å | ||
| 207 | L | 24.3 | Very low | 31 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | trans | -71 | 102.1 | 163.7 | -97.5 | 148.4 | 0 | 0 | 0 | 107.7 | K205 | K205-L207 PolarHBondContact O-N 3.39Å; K205-L207 VanDerWaalsContact O-N 3.08Å | ||
| 208 | I | 26.8 | Very low | 31.6 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 67% | 0.667 | 72% | 0.72 | S | S | * | * | trans | -97 | 111.2 | 162.9 | -61.1 | 175.9 | 0 | 0 | 0 | 106.2 | C206 L210 | C206-I208 PolarHBondContact O-N 3.39Å; I208-L210 PolarHBondContact O-N 2.97Å | ||
| 209 | S | 24.3 | Very low | 32.1 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | -71.6 | 102.3 | 167.9 | -60.6 | 0 | 0 | 0 | 0 | 108.4 | M211 | S209-M211 PolarHBondContact O-N 3.39Š| ||
| 210 | L | 26.9 | Very low | 32.5 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | trans | -74.2 | 108.1 | 165.4 | -79.7 | 162.8 | 0 | 0 | 0 | 108.1 | I208 K212 | I208-L210 PolarHBondContact O-N 2.97Å; L210-K212 PolarHBondContact O-N 3.39Å | ||
| 211 | M | 24 | Very low | 33 | Very low | 167 Ų | 167 | 142.5 Ų | 142.5 | 82% | 0.823 | 73% | 0.734 | S | S | * | * | trans | -68.2 | 121.5 | 160.1 | -89.5 | -178.3 | 165.8 | 0 | 0 | 107.9 | S209 I213 | S209-M211 PolarHBondContact O-N 3.39Å; M211-I213 PolarHBondContact O-N 2.93Å | ||
| 212 | K | 27.2 | Very low | 33.6 | Very low | 192 Ų | 192 | 141.9 Ų | 141.9 | 84% | 0.835 | 73% | 0.727 | S | S | * | * | trans | -67.7 | 112.4 | 167.8 | -169.4 | 177.6 | -177.9 | -176.6 | 0 | 107.4 | L210 P214 | L210-K212 PolarHBondContact O-N 3.39Å; K212-P214 WeakPolarHBondContact O-CD 3.33Å | ||
| 213 | I | 30 | Very low | 33.8 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 77% | 0.774 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 119.4 | 164.8 | -57.9 | 174.4 | 0 | 0 | 0 | 105.2 | M211 | M211-I213 PolarHBondContact O-N 2.93Š|
| 214 | P | 33.5 | Very low | 34.5 | Very low | 69 Ų | 69 | 138.4 Ų | 138.4 | 45% | 0.448 | 72% | 0.722 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 139.6 | 175.4 | 26.9 | -29.8 | 0 | 0 | 0 | 108.9 | K212 E216 | K212-P214 WeakPolarHBondContact O-CD 3.33Å; P214-E216 PolarHBondContact O-N 2.96Å |
| 215 | D | 35.9 | Very low | 35.3 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 139 | 171.9 | -73.7 | -49.7 | 0 | 0 | 0 | 110.1 | D217 | D215-D217 PolarHBondContact O-N 3.2Š|
| 216 | E | 36.4 | Very low | 35.8 | Very low | 194 Ų | 194 | 137.8 Ų | 137.8 | 91% | 0.907 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 74.8 | 177.9 | -72.2 | -153 | 156.8 | 0 | 0 | 111.7 | P214 | P214-E216 PolarHBondContact O-N 2.96Š|
| 217 | D | 44 | Very low | 36.7 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 88% | 0.877 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149 | 5.5 | 165.6 | -86.9 | -39 | 0 | 0 | 0 | 112.7 | D215 | D215-D217 PolarHBondContact O-N 3.2Š|
| 218 | S | 41.2 | Very low | 37.7 | Very low | 77 Ų | 77 | 145.3 Ų | 145.3 | 54% | 0.538 | 73% | 0.726 | S | S | . | * | trans | -104.8 | 112.5 | 178.4 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 219 | K | 43.8 | Very low | 38.3 | Very low | 198 Ų | 198 | 150.2 Ų | 150.2 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | trans | -53 | 134 | 173.2 | -68 | 172.8 | 175.5 | 177.8 | 0 | 111.4 | ||||
| 220 | E | 37.8 | Very low | 38.9 | Very low | 194 Ų | 194 | 152.2 Ų | 152.2 | 91% | 0.907 | 74% | 0.737 | S | S | * | * | trans | 61.4 | 82.2 | 149.4 | -142.6 | 169.8 | -161.6 | 0 | 0 | 116 | ||||
| 221 | I | 45.3 | Very low | 39 | Very low | 113 Ų | 113 | 153.6 Ų | 153.6 | 58% | 0.579 | 75% | 0.745 | S | S | * | * | trans | -95.8 | 110.5 | 162.7 | -60.3 | 176.9 | 0 | 0 | 0 | 108.3 | E223 | I221-E223 PolarHBondContact O-N 3.14Š| ||
| 222 | D | 44.8 | Very low | 39.4 | Very low | 84 Ų | 84 | 150.9 Ų | 150.9 | 45% | 0.449 | 74% | 0.74 | S | S | . | * | trans | -62 | 105.9 | 171 | 171.4 | 22.5 | 0 | 0 | 0 | 111 | T224 N225 | D222-T224 PolarHBondContact O-N 3.24Å; D222-T224 VanDerWaalsContact O-N 3.08Å; D222-T224 WeakPolarHBondContact OD1-CB 3.3Å; D222-T224 PolarHBondContact OD1-N 3.49Å; D222-T224 VanDerWaalsContact OD1-N 3.1Å; D222-T224 PolarHBondContact OD1-OG1 2.76Å; D222-N225 PolarHBondContact O-N 2.7Å; D222-N225 PolarHBondContact OD2-ND2 2.81Å; D222-N225 VanDerWaalsContact OD2-ND2 3.07Å | ||
| 223 | E | 44.1 | Very low | 39.5 | Very low | 168 Ų | 168 | 149.1 Ų | 149.1 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -57.2 | -20.6 | 178.5 | -73.8 | -167.8 | 142.8 | 0 | 0 | 113.5 | I221 N225 | I221-E223 PolarHBondContact O-N 3.14Å; E223-N225 VanDerWaalsContact C-N 3.28Å; E223-N225 PolarHBondContact O-N 2.78Å |
| 224 | T | 48.6 | Very low | 39.4 | Very low | 106 Ų | 106 | 151.1 Ų | 151.1 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -71.9 | -23 | -173.4 | -31.2 | 0 | 0 | 0 | 0 | 112.7 | D222 | D222-T224 PolarHBondContact O-N 3.24Å; D222-T224 VanDerWaalsContact O-N 3.08Å; D222-T224 WeakPolarHBondContact OD1-CB 3.3Å; D222-T224 PolarHBondContact OD1-N 3.49Å; D222-T224 VanDerWaalsContact OD1-N 3.1Å; D222-T224 PolarHBondContact OD1-OG1 2.76Å |
| 225 | N | 47.9 | Very low | 39.1 | Very low | 111 Ų | 111 | 155.4 Ų | 155.4 | 59% | 0.594 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -89.5 | -16.1 | -176.7 | -91.3 | -55.3 | 0 | 0 | 0 | 115 | D222 E223 | D222-N225 PolarHBondContact O-N 2.7Å; D222-N225 PolarHBondContact OD2-ND2 2.81Å; D222-N225 VanDerWaalsContact OD2-ND2 3.07Å; E223-N225 VanDerWaalsContact C-N 3.28Å; E223-N225 PolarHBondContact O-N 2.78Å |
| 226 | M | 38.4 | Very low | 38.6 | Very low | 134 Ų | 134 | 155.7 Ų | 155.7 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -74.5 | -27.4 | -179.6 | -78.4 | -85.1 | -143.7 | 0 | 0 | 113.4 | K228 | M226-K228 VanDerWaalsContact C-N 3.3Å; M226-K228 PolarHBondContact O-N 3.19Å |
| 227 | R | 44.7 | Very low | 38.3 | Very low | 233 Ų | 233 | 153.3 Ų | 153.3 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -74.5 | -8.9 | -173.4 | -73.8 | -173.7 | 178.5 | -171.6 | 1.5 | 115.4 | ||
| 228 | K | 46.8 | Very low | 37.4 | Very low | 183 Ų | 183 | 151.6 Ų | 151.6 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -94.1 | 5.6 | -172.5 | -74.1 | -175.9 | 178.4 | 175.1 | 0 | 116.1 | M226 | M226-K228 VanDerWaalsContact C-N 3.3Å; M226-K228 PolarHBondContact O-N 3.19Å |
| 229 | R | 38.9 | Very low | 37 | Very low | 233 Ų | 233 | 154 Ų | 154 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | -114.4 | 13.4 | -170.6 | -76.5 | -172.1 | 175.9 | 175.2 | 0.6 | 117.4 | ||||
| 230 | I | 36.4 | Very low | 36.4 | Very low | 153 Ų | 153 | 149.5 Ų | 149.5 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -116.8 | 98.3 | 178.9 | -52.5 | 178.5 | 0 | 0 | 0 | 110.2 | ||||
| 231 | N | 30.4 | Very low | 36.2 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | trans | -86.7 | 119.5 | 165.7 | -96.9 | -19.7 | 0 | 0 | 0 | 109.2 | ||||
| 232 | P | 32.2 | Very low | 35.3 | Very low | 110 Ų | 110 | 148 Ų | 148 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | trans | -80.3 | 121.4 | 172.5 | 29.5 | -29 | 0 | 0 | 0 | 110.6 | K234 | P232-K234 PolarHBondContact O-N 3.21Š| ||
| 233 | I | 29.2 | Very low | 34.5 | Very low | 154 Ų | 154 | 151.8 Ų | 151.8 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -74.3 | 113 | 167.4 | -63.2 | 172.5 | 0 | 0 | 0 | 107.8 | L235 | I233-L235 HydrophobicContact CG2-CG 4.49Š| ||
| 234 | K | 27.1 | Very low | 33.8 | Very low | 193 Ų | 193 | 153.2 Ų | 153.2 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -78.9 | 121.4 | 167.8 | -80.6 | 179 | 174.8 | 177.3 | 0 | 109.2 | P232 | P232-K234 PolarHBondContact O-N 3.21Š| ||
| 235 | L | 28 | Very low | 32.9 | Very low | 159 Ų | 159 | 154.5 Ų | 154.5 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -110.2 | 113.8 | 161.8 | -81.6 | 163.7 | 0 | 0 | 0 | 108.5 | I233 | I233-L235 HydrophobicContact CG2-CG 4.49Š| ||
| 236 | L | 24.5 | Very low | 32.3 | Very low | 150 Ų | 150 | 153.8 Ų | 153.8 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -87.3 | 126.2 | 169.1 | -88.2 | 145.1 | 0 | 0 | 0 | 108.3 | ||||
| 237 | T | 30.8 | Very low | 31.9 | Very low | 145 Ų | 145 | 158.8 Ų | 158.8 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | trans | -129.6 | 111.4 | 158.7 | 29.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 238 | T | 25.3 | Very low | 31.1 | Very low | 128 Ų | 128 | 156.7 Ų | 156.7 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -97.4 | 123.9 | 170.7 | 46.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 239 | S | 32.6 | Very low | 30.4 | Very low | 128 Ų | 128 | 154.1 Ų | 154.1 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | trans | -154.4 | 128.6 | 140.4 | 65.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 240 | S | 31.2 | Very low | 30.1 | Very low | 103 Ų | 103 | 149.4 Ų | 149.4 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | -95.8 | 148.3 | -177.1 | 48 | 0 | 0 | 0 | 0 | 111 | ||||
| 241 | L | 32.3 | Very low | 29.6 | Very low | 164 Ų | 164 | 153.2 Ų | 153.2 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | 160 | 156.4 | 129 | -83.7 | 163 | 0 | 0 | 0 | 111.3 | |||||
| 242 | P | 28.1 | Very low | 29.5 | Very low | 111 Ų | 111 | 149 Ų | 149 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | trans | -120.1 | 172.5 | -130.8 | 40.6 | -27.8 | 0 | 0 | 0 | 115.9 | ||||
| 243 | M | 28.2 | Very low | 29.3 | Very low | 164 Ų | 164 | 152.1 Ų | 152.1 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | -6.2 | 135.9 | 162.2 | -61.1 | -166.1 | 79.7 | 0 | 0 | 120.4 | ||||
| 244 | M | 28.3 | Very low | 29.2 | Very low | 198 Ų | 198 | 149.9 Ų | 149.9 | 98% | 0.975 | 80% | 0.8 | S | S | * | * | -150.3 | 142 | 124.1 | -98.7 | -156.5 | 170.9 | 0 | 0 | 111.1 | |||||
| 245 | N | 30 | Very low | 29.3 | Very low | 133 Ų | 133 | 147.1 Ų | 147.1 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -117.7 | -174.3 | -174.9 | -157.5 | 16.7 | 0 | 0 | 0 | 108.7 | ||||
| 246 | P | 34.4 | Very low | 29.6 | Very low | 95 Ų | 95 | 148.2 Ų | 148.2 | 62% | 0.617 | 79% | 0.787 | S | S | * | * | -115.1 | 170.4 | -99.1 | 37.2 | -20.8 | 0 | 0 | 0 | 113.9 | |||||
| 247 | Y | 30.9 | Very low | 30.1 | Very low | 239 Ų | 239 | 145.7 Ų | 145.7 | 94% | 0.937 | 78% | 0.78 | S | S | * | * | trans | -127.6 | 126.9 | 161.7 | -83.6 | -81.8 | 0 | 0 | 0 | 112.8 | ||||
| 248 | K | 27.8 | Very low | 30.2 | Very low | 189 Ų | 189 | 143.4 Ų | 143.4 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -62.2 | 146.7 | 162.9 | -106.6 | 174.5 | 168 | -177.7 | 0 | 110.9 | ||||
| 249 | C | 32.7 | Very low | 30.6 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | -167.3 | 152.5 | 135.2 | -107.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 250 | D | 32.4 | Very low | 30.7 | Very low | 135 Ų | 135 | 148.9 Ų | 148.9 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | -84.5 | 165.6 | -153.8 | -66.3 | -60.5 | 0 | 0 | 0 | 116.7 | ||||
| 251 | Y | 26.2 | Very low | 30.8 | Very low | 232 Ų | 232 | 151.3 Ų | 151.3 | 91% | 0.91 | 78% | 0.776 | S | S | * | * | trans | -9.8 | 132.3 | 161.6 | -69.4 | -95.6 | 0 | 0 | 0 | 118.8 | ||||
| 252 | G | 26.9 | Very low | 30.7 | Very low | 70 Ų | 70 | 153.2 Ų | 153.2 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | 158.7 | 110.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 253 | Q | 28.4 | Very low | 31.1 | Very low | 176 Ų | 176 | 154.3 Ų | 154.3 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | 59.1 | 118 | 154.8 | -63.9 | 178.9 | -8.6 | 0 | 0 | 119.3 | I255 | Q253-I255 PolarHBondContact O-N 3.4Š| ||
| 254 | I | 27.9 | Very low | 31.1 | Very low | 107 Ų | 107 | 151.5 Ų | 151.5 | 55% | 0.549 | 77% | 0.771 | S | S | . | * | trans | -79.1 | 105.5 | 171.8 | -60.9 | 170.3 | 0 | 0 | 0 | 108 | Y256 | I254-Y256 HydrophobicContact CG2-CD2 4.06Å; I254-Y256 HydrophobicContact CG2-CE2 3.72Å | ||
| 255 | I | 29.8 | Very low | 31.2 | Very low | 134 Ų | 134 | 149.5 Ų | 149.5 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | trans | -111.5 | 122.1 | 158.9 | -59.7 | 173.7 | 0 | 0 | 0 | 105.7 | Q253 P257 | Q253-I255 PolarHBondContact O-N 3.4Å; I255-P257 WeakPolarHBondContact O-CD 3.45Å | ||
| 256 | Y | 33.1 | Very low | 31.2 | Very low | 182 Ų | 182 | 149 Ų | 149 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | trans | -78.6 | 121.9 | 172.5 | -69.7 | -87.3 | 0 | 0 | 0 | 108.6 | I254 A258 | I254-Y256 HydrophobicContact CG2-CD2 4.06Å; I254-Y256 HydrophobicContact CG2-CE2 3.72Å; Y256-A258 PolarHBondContact O-N 3.43Å | ||
| 257 | P | 35.1 | Very low | 30.9 | Very low | 98 Ų | 98 | 153.3 Ų | 153.3 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | -80.5 | 113.6 | 165.2 | 23.4 | -14.2 | 0 | 0 | 0 | 108.4 | I255 D259 | I255-P257 WeakPolarHBondContact O-CD 3.45Å; P257-D259 PolarHBondContact O-N 3.48Å | ||
| 258 | A | 33.9 | Very low | 30.8 | Very low | 97 Ų | 97 | 149.4 Ų | 149.4 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | -68.6 | 10.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y256 | Y256-A258 PolarHBondContact O-N 3.43Š| ||
| 259 | D | 32.2 | Very low | 30.9 | Very low | 138 Ų | 138 | 147.2 Ų | 147.2 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | -110.5 | 21 | -158.9 | -62.4 | -36.4 | 0 | 0 | 0 | 115.4 | P257 | P257-D259 PolarHBondContact O-N 3.48Š| ||
| 260 | R | 34.7 | Very low | 30.8 | Very low | 233 Ų | 233 | 145.9 Ų | 145.9 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -117.8 | 15 | -179.6 | -74.1 | -163.8 | 174.5 | -167.4 | 0.2 | 117.1 | ||
| 261 | L | 33.5 | Very low | 30.9 | Very low | 153 Ų | 153 | 148.2 Ų | 148.2 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | trans | -118 | 73.4 | 168.2 | -72.1 | 169.6 | 0 | 0 | 0 | 111 | L263 | L261-L263 HydrophobicContact CD2-CD1 4.42Å; L261-L263 PolarHBondContact O-N 3.05Å | ||
| 262 | K | 31.2 | Very low | 31.3 | Very low | 205 Ų | 205 | 144.1 Ų | 144.1 | 89% | 0.891 | 75% | 0.75 | S | S | * | * | trans | -87.1 | 82.6 | 156.7 | -73.4 | -173.8 | 179 | -178.7 | 0 | 108.1 | ||||
| 263 | L | 34.9 | Very low | 31.8 | Very low | 134 Ų | 134 | 149.8 Ų | 149.8 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | trans | -94.4 | 120 | 162.6 | -79 | 167 | 0 | 0 | 0 | 107.9 | L261 | L261-L263 HydrophobicContact CD2-CD1 4.42Å; L261-L263 PolarHBondContact O-N 3.05Å | ||
| 264 | P | 28.1 | Very low | 32.3 | Very low | 104 Ų | 104 | 149.8 Ų | 149.8 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -72.9 | 136.4 | 170.5 | 31.2 | -28.8 | 0 | 0 | 0 | 108.1 | ||
| 265 | N | 31.7 | Very low | 32.8 | Very low | 157 Ų | 157 | 153.3 Ų | 153.3 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 84.5 | 45.4 | 165.3 | -49.2 | -24.9 | 0 | 0 | 0 | 119 | ||
| 266 | V | 29.4 | Very low | 33.3 | Very low | 121 Ų | 121 | 153.9 Ų | 153.9 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -130.1 | 101 | 156.8 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | M268 | V266-M268 PolarHBondContact O-N 3.25Š| ||
| 267 | Q | 28.8 | Very low | 33.8 | Very low | 187 Ų | 187 | 152 Ų | 152 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -73 | 105.1 | 164.8 | -75.2 | 179.2 | -10.5 | 0 | 0 | 108.1 | I269 | Q267-I269 PolarHBondContact O-N 3.29Š| ||
| 268 | M | 27.9 | Very low | 34.4 | Very low | 156 Ų | 156 | 152.8 Ų | 152.8 | 77% | 0.768 | 78% | 0.782 | S | S | * | * | trans | -82.2 | 108.1 | 162.8 | -102.4 | -179.9 | 49.1 | 0 | 0 | 108.4 | V266 V270 | V266-M268 PolarHBondContact O-N 3.25Å; M268-V270 HydrophobicContact CE-CG2 4.04Å; M268-V270 PolarHBondContact O-N 3.31Å | ||
| 269 | I | 30.2 | Very low | 35.1 | Very low | 144 Ų | 144 | 155.8 Ų | 155.8 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | trans | -75.5 | 101.3 | 164.7 | -61.5 | 171.4 | 0 | 0 | 0 | 106.3 | Q267 K271 | Q267-I269 PolarHBondContact O-N 3.29Å; I269-K271 HydrophobicContact CG2-CG 4.26Å | ||
| 270 | V | 31.1 | Very low | 36.1 | Very low | 100 Ų | 100 | 156 Ų | 156 | 61% | 0.606 | 78% | 0.781 | S | S | * | * | trans | -82.9 | 111.7 | 163.5 | -179.7 | 0 | 0 | 0 | 0 | 105.9 | M268 | M268-V270 HydrophobicContact CE-CG2 4.04Å; M268-V270 PolarHBondContact O-N 3.31Å | ||
| 271 | K | 33.3 | Very low | 36.7 | Very low | 184 Ų | 184 | 152.5 Ų | 152.5 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | -83.2 | 112.4 | 165.9 | -82.2 | -174.5 | 173.2 | -175.8 | 0 | 107.3 | I269 E273 | I269-K271 HydrophobicContact CG2-CG 4.26Å; K271-E273 PolarHBondContact O-N 3.35Å | ||
| 272 | D | 34.8 | Very low | 37.3 | Very low | 146 Ų | 146 | 149.2 Ų | 149.2 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | -63.9 | 115.1 | 164.5 | -70 | -38.1 | 0 | 0 | 0 | 108.5 | ||||
| 273 | E | 38.7 | Very low | 38.3 | Very low | 189 Ų | 189 | 146.7 Ų | 146.7 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -89.7 | 114.4 | 160 | -81.4 | -176.6 | 167.4 | 0 | 0 | 107.8 | K271 M275 | K271-E273 PolarHBondContact O-N 3.35Å; E273-M275 PolarHBondContact O-N 3.46Å | ||
| 274 | Q | 39.1 | Very low | 38.8 | Very low | 177 Ų | 177 | 153.7 Ų | 153.7 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -56.2 | 125.8 | 174.7 | -73.6 | 166.1 | -36.3 | 0 | 0 | 110.4 | ||||
| 275 | M | 36.7 | Very low | 39.4 | Very low | 181 Ų | 181 | 156.2 Ų | 156.2 | 89% | 0.892 | 80% | 0.802 | S | S | * | * | trans | -80.7 | 112.7 | 155.5 | -82.9 | -151.9 | -160.4 | 0 | 0 | 108 | E273 I277 | E273-M275 PolarHBondContact O-N 3.46Å; M275-I277 PolarHBondContact O-N 3.34Å | ||
| 276 | D | 40.9 | Very low | 39.8 | Very low | 145 Ų | 145 | 156.1 Ų | 156.1 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | -70.2 | 113.4 | 162.2 | -77.2 | -36.3 | 0 | 0 | 0 | 108.9 | ||||
| 277 | I | 43.3 | Very low | 40.3 | Very low | 144 Ų | 144 | 158.1 Ų | 158.1 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | trans | -82.3 | 108.6 | 165.6 | -62.6 | 171.2 | 0 | 0 | 0 | 106.2 | M275 E279 | M275-I277 PolarHBondContact O-N 3.34Å; I277-E279 HydrophobicContact CG2-CG 4.02Å | ||
| 278 | V | 48.2 | Very low | 41 | Very low | 113 Ų | 113 | 156.4 Ų | 156.4 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | trans | -96.9 | 92.1 | 163.5 | -180 | 0 | 0 | 0 | 0 | 106.9 | N280 | V278-N280 PolarHBondContact O-N 3.45Š| ||
| 279 | E | 48.1 | Very low | 41.8 | Very low | 160 Ų | 160 | 156.4 Ų | 156.4 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -74.4 | 109.2 | 158 | -84.5 | 174.2 | 166.3 | 0 | 0 | 107.4 | I277 | I277-E279 HydrophobicContact CG2-CG 4.02Š| ||
| 280 | N | 53.2 | Low | 42.6 | Very low | 144 Ų | 144 | 157.2 Ų | 157.2 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | -108.1 | 91.5 | 160.1 | -89.4 | -22.9 | 0 | 0 | 0 | 106.8 | V278 A282 | V278-N280 PolarHBondContact O-N 3.45Å; N280-A282 PolarHBondContact O-N 3.5Å | ||
| 281 | D | 46.9 | Very low | 43.4 | Very low | 158 Ų | 158 | 161.3 Ų | 161.3 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -73.4 | 115.4 | 158.2 | -80.2 | -30.3 | 0 | 0 | 0 | 108.3 | ||||
| 282 | A | 46.2 | Very low | 44.2 | Very low | 84 Ų | 84 | 159.5 Ų | 159.5 | 69% | 0.694 | 82% | 0.822 | S | S | * | * | trans | -145.6 | 97.1 | 164 | 0 | 0 | 0 | 0 | 0 | 107.8 | N280 | N280-A282 PolarHBondContact O-N 3.5Š| ||
| 283 | D | 53.4 | Low | 45 | Very low | 152 Ų | 152 | 160.7 Ų | 160.7 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | trans | -164.3 | 115.3 | 150.7 | -95.5 | -25 | 0 | 0 | 0 | 109.6 | ||||
| 284 | F | 45.3 | Very low | 45.6 | Very low | 281 Ų | 281 | 158.1 Ų | 158.1 | 100% | 1.232 | 82% | 0.82 | S | S | * | * | trans | 70.3 | 0 | 166.4 | -72.8 | -88.1 | 0 | 0 | 0 | 121.3 |
Retrieved 284 of 284 residues in 740.2 ms
(Link to these results)