| 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 | 82.4 | Confident | 84.8 | Confident | 75 Ų | 75 | 75.9 Ų | 75.9 | 37% | 0.369 | 38% | 0.381 | S | S | . | . | 0 | -50.7 | 0 | -76.5 | -170.4 | 173.4 | 0 | 0 | 110.2 | P62 R67 S68 L69 | M1-P62 HydrophobicContact CE-CB 3.27Å; M1-P62 HydrophobicContact CE-CG 4.44Å; M1-P62 HydrophobicContact SD-CB 3.56Å; M1-P62 VanDerWaalsContact SD-CB 3.56Å; M1-R67 HydrophobicContact CE-CB 4.23Å; M1-S68 PolarHBondContact N-O 2.8Å; M1-L69 PolarHBondContact N-O 3.31Å | |||
| 2 | F | 84.8 | Confident | 85.5 | Confident | 37 Ų | 37 | 73.1 Ų | 73.1 | 16% | 0.162 | 37% | 0.373 | C | S | . | . | trans | -105.7 | -1.3 | -177.4 | -59.9 | -76.1 | 0 | 0 | 0 | 114 | N4 T5 Q7 L11 I13 I24 L69 I71 | F2-N4 PolarHBondContact O-N 2.79Å; F2-N4 VanDerWaalsContact O-N 3.14Å; F2-T5 WeakPolarHBondContact O-CB 3.45Å; F2-T5 PolarHBondContact O-N 2.67Å; F2-Q7 PolarHBondContact O-NE2 3.46Å; F2-L11 HydrophobicContact CB-CD2 4.09Å; F2-L11 HydrophobicContact CD1-CD1 3.86Å; F2-L11 HydrophobicContact CD1-CD2 4.13Å; F2-L11 HydrophobicContact CD2-CD2 4.35Å; F2-L11 HydrophobicContact CE1-CD1 3.94Å; F2-L11 HydrophobicContact CG-CD1 4.48Å; F2-L11 HydrophobicContact CG-CD2 3.93Å; F2-I13 HydrophobicContact CE2-CG2 4.18Å; F2-I24 HydrophobicContact CE2-CD1 4.38Å; F2-I24 HydrophobicContact CZ-CD1 4.25Å; F2-L69 HydrophobicContact CD2-CD2 3.88Å; F2-L69 HydrophobicContact CE2-CD2 3.69Å; F2-L69 PolarHBondContact N-O 2.86Å; F2-I71 HydrophobicContact CB-CG1 4.1Å; F2-I71 HydrophobicContact CD2-CD1 4.01Å; F2-I71 HydrophobicContact CD2-CG1 3.94Å; F2-I71 HydrophobicContact CE2-CD1 4.48Å; F2-I71 HydrophobicContact CG-CG1 4.31Å | ||
| 3 | R | 81 | Confident | 86.2 | Confident | 121 Ų | 121 | 68.1 Ų | 68.1 | 46% | 0.457 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -35.8 | -174.1 | -168.8 | -178.7 | -73.7 | 155.6 | -5.1 | 113.9 | G70 E150 | R3-G70 WeakPolarHBondContact CA-O 3.36Å; R3-G70 PolarHBondContact N-O 3.36Å; R3-E150 IonicContact CZ-OE1 3.42Å; R3-E150 IonicContact CZ-OE2 2.91Å; R3-E150 IonicContact NE-OE1 2.67Å; R3-E150 IonicContact NE-OE2 3.7Å; R3-E150 PolarHBondContact NE-OE2 2.85Å; R3-E150 IonicContact NH2-OE1 2.79Å; R3-E150 PolarHBondContact NH2-OE1 2.91Å; R3-E150 IonicContact NH2-OE2 3.6Å |
| 4 | N | 81 | Confident | 87 | Confident | 161 Ų | 161 | 63.4 Ų | 63.4 | 86% | 0.861 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 6.7 | 179.8 | -59.8 | -10.5 | 0 | 0 | 0 | 112.5 | F2 | F2-N4 PolarHBondContact O-N 2.79Å; F2-N4 VanDerWaalsContact O-N 3.14Å |
| 5 | T | 79.7 | Confident | 87.5 | Confident | 72 Ų | 72 | 63.5 Ų | 63.5 | 44% | 0.442 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -91.1 | 148 | 175.6 | -46.8 | 0 | 0 | 0 | 0 | 108.5 | F2 Q7 | F2-T5 WeakPolarHBondContact O-CB 3.45Å; F2-T5 PolarHBondContact O-N 2.67Å; T5-Q7 WeakPolarHBondContact O-CG 3.44Å; T5-Q7 PolarHBondContact O-N 3.22Å |
| 6 | F | 81.1 | Confident | 87.9 | Confident | 180 Ų | 180 | 59.5 Ų | 59.5 | 79% | 0.789 | 30% | 0.299 | S | S | * | . | trans | -62.3 | 125.7 | 169.4 | -173.3 | -108.1 | 0 | 0 | 0 | 109.7 | ||||
| 7 | Q | 85 | Confident | 88.2 | Confident | 36 Ų | 36 | 59 Ų | 59 | 17% | 0.168 | 30% | 0.3 | C | S | . | . | trans | -121.1 | 97.1 | -178.5 | -61.1 | -177.9 | 34.4 | 0 | 0 | 108.9 | F2 T5 L11 G70 I71 L73 | F2-Q7 PolarHBondContact O-NE2 3.46Å; T5-Q7 WeakPolarHBondContact O-CG 3.44Å; T5-Q7 PolarHBondContact O-N 3.22Å; Q7-L11 HydrophobicContact CG-CD2 4.39Å; Q7-G70 PolarHBondContact NE2-O 2.91Å; Q7-I71 VanDerWaalsContact OE1-CA 3.27Å; Q7-L73 HydrophobicContact CB-CD1 4.41Å; Q7-L73 HydrophobicContact CB-CD2 4.35Å; Q7-L73 HydrophobicContact CB-CG 4.16Å | ||
| 8 | S | 84.7 | Confident | 88.3 | Confident | 65 Ų | 65 | 57.1 Ų | 57.1 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | trans | -147.6 | 150.5 | 176.7 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | F10 | S8-F10 PolarHBondContact O-N 3Š| ||
| 9 | G | 89.5 | Confident | 88.4 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 13% | 0.134 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 65.9 | -101.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C168 D169 | G9-C168 WeakPolarHBondContact O-CA 3.16Å; G9-C168 WeakPolarHBondContact O-CB 3.33Å; G9-D169 PolarHBondContact N-OD2 3.28Å; G9-D169 PolarHBondContact O-N 3.02Å |
| 10 | F | 90.9 | Very high | 88.7 | Confident | 51 Ų | 51 | 64.5 Ų | 64.5 | 22% | 0.224 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 134.2 | -174.3 | -56.2 | -87.4 | 0 | 0 | 0 | 112.6 | S8 Y166 F167 C168 Y172 L177 P178 F181 | S8-F10 PolarHBondContact O-N 3Å; F10-Y166 AromaticContact CD1-CD2 3.82Å; F10-Y166 HydrophobicContact CD1-CD2 3.82Å; F10-Y166 AromaticContact CD1-CE2 3.69Å; F10-Y166 HydrophobicContact CD1-CE2 3.69Å; F10-Y166 AromaticContact CE1-CE2 3.97Å; F10-Y166 HydrophobicContact CE1-CE2 3.97Å; F10-F167 CarbonylContact C-O 3.54Å; F10-F167 WeakPolarHBondContact CA-O 3.47Å; F10-C168 HydrophobicContact CD1-CB 4.03Å; F10-C168 HydrophobicContact CE1-CB 4.26Å; F10-Y172 HydrophobicContact CD1-CE2 4.5Å; F10-Y172 AromaticContact CE1-CD2 3.45Å; F10-Y172 HydrophobicContact CE1-CD2 3.45Å; F10-Y172 VanDerWaalsContact CE1-CD2 3.45Å; F10-Y172 AromaticContact CE1-CE2 3.74Å; F10-Y172 HydrophobicContact CE1-CE2 3.74Å; F10-Y172 HydrophobicContact CE1-CG 4.03Å; F10-Y172 HydrophobicContact CE2-CD1 4.49Å; F10-Y172 HydrophobicContact CE2-CD2 4.24Å; F10-Y172 HydrophobicContact CE2-CE1 4.22Å; F10-Y172 AromaticContact CE2-CE2 3.96Å; F10-Y172 HydrophobicContact CE2-CE2 3.96Å; F10-Y172 HydrophobicContact CE2-CG 4.48Å; F10-Y172 AromaticContact CE2-CZ 3.94Å; F10-Y172 AromaticContact CZ-CD1 3.88Å; F10-Y172 HydrophobicContact CZ-CD1 3.88Å; F10-Y172 AromaticContact CZ-CD2 3.27Å; F10-Y172 HydrophobicContact CZ-CD2 3.27Å; F10-Y172 HydrophobicContact CZ-CE1 4Å; F10-Y172 AromaticContact CZ-CE2 3.43Å; F10-Y172 HydrophobicContact CZ-CE2 3.43Å; F10-Y172 VanDerWaalsContact CZ-CE2 3.43Å; F10-Y172 AromaticContact CZ-CG 3.5Å; F10-Y172 HydrophobicContact CZ-CG 3.5Å; F10-Y172 AromaticContact CZ-CZ 3.78Å; F10-L177 HydrophobicContact CE1-CD2 3.74Å; F10-L177 HydrophobicContact CZ-CD2 3.83Å; F10-P178 HydrophobicContact CE2-CG 4.08Å; F10-F181 HydrophobicContact CB-CE1 3.82Å; F10-F181 HydrophobicContact CB-CE2 4.21Å; F10-F181 HydrophobicContact CB-CZ 3.45Å; F10-F181 VanDerWaalsContact CB-CZ 3.45Å; F10-F181 HydrophobicContact CD1-CD1 4.15Å; F10-F181 AromaticContact CD1-CE1 3.85Å; F10-F181 HydrophobicContact CD1-CE1 3.85Å; F10-F181 HydrophobicContact CD1-CZ 4.16Å; F10-F181 HydrophobicContact CD2-CE2 4.45Å; F10-F181 HydrophobicContact CD2-CZ 4.43Å; F10-F181 AromaticContact CG-CE1 3.96Å; F10-F181 HydrophobicContact CG-CE1 3.96Å; F10-F181 HydrophobicContact CG-CE2 4.22Å; F10-F181 AromaticContact CG-CZ 3.78Å; F10-F181 HydrophobicContact CG-CZ 3.78Å |
| 11 | L | 93.1 | Very high | 88.9 | Confident | 24 Ų | 24 | 62.5 Ų | 62.5 | 13% | 0.126 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 101.2 | 171.6 | -177.8 | 64.6 | 0 | 0 | 0 | 110 | F2 Q7 I71 L73 Y166 F167 | F2-L11 HydrophobicContact CB-CD2 4.09Å; F2-L11 HydrophobicContact CD1-CD1 3.86Å; F2-L11 HydrophobicContact CD1-CD2 4.13Å; F2-L11 HydrophobicContact CD2-CD2 4.35Å; F2-L11 HydrophobicContact CE1-CD1 3.94Å; F2-L11 HydrophobicContact CG-CD1 4.48Å; F2-L11 HydrophobicContact CG-CD2 3.93Å; Q7-L11 HydrophobicContact CG-CD2 4.39Å; L11-I71 HydrophobicContact CD2-CB 4.44Å; L11-I71 HydrophobicContact CD2-CD1 3.68Å; L11-I71 HydrophobicContact CD2-CG1 3.6Å; L11-I71 HydrophobicContact CD2-CG2 4.09Å; L11-L73 HydrophobicContact CB-CD1 3.63Å; L11-L73 HydrophobicContact CD2-CD1 4.48Å; L11-Y166 CarbonylContact O-C 3.59Å; L11-Y166 VanDerWaalsContact O-CA 3.23Å; L11-Y166 WeakPolarHBondContact O-CA 3.33Å; L11-Y166 WeakPolarHBondContact O-CB 3.36Å; L11-F167 HydrophobicContact CB-CB 4.45Å; L11-F167 PolarHBondContact N-O 3.25Å; L11-F167 PolarHBondContact O-N 3.08Å |
| 12 | S | 93 | Very high | 89.4 | Confident | 42 Ų | 42 | 59.9 Ų | 59.9 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 131.8 | 177 | -170.8 | 0 | 0 | 0 | 0 | 111.3 | L14 V165 | S12-L14 PolarHBondContact OG-O 2.76Å; S12-V165 PolarHBondContact OG-O 3.41Å |
| 13 | I | 95 | Very high | 89.8 | Confident | 8 Ų | 8 | 65.1 Ų | 65.1 | 4% | 0.041 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -19.7 | 172.1 | 59.8 | 160.7 | 0 | 0 | 0 | 112.3 | F2 I24 W25 L69 I71 V154 V165 F167 | F2-I13 HydrophobicContact CE2-CG2 4.18Å; I13-I24 HydrophobicContact CB-CD1 4.26Å; I13-W25 HydrophobicContact CB-CZ2 4.35Å; I13-W25 HydrophobicContact CD1-CH2 3.88Å; I13-W25 HydrophobicContact CD1-CZ2 3.56Å; I13-W25 HydrophobicContact CG1-CZ2 3.88Å; I13-W25 PolarHBondContact O-NE1 3.41Å; I13-L69 HydrophobicContact CG2-CD2 4.33Å; I13-I71 HydrophobicContact CG2-CD1 3.81Å; I13-V154 HydrophobicContact CD1-CB 4.28Å; I13-V154 HydrophobicContact CD1-CG2 4.16Å; I13-V165 HydrophobicContact CD1-CB 4.43Å; I13-V165 HydrophobicContact CD1-CG1 3.71Å; I13-V165 HydrophobicContact CG1-CB 3.96Å; I13-V165 HydrophobicContact CG1-CG1 3.65Å; I13-V165 PolarHBondContact N-O 3.12Å; I13-F167 HydrophobicContact CD1-CE2 3.87Å; I13-F167 HydrophobicContact CG1-CE2 4.29Å; I13-F167 HydrophobicContact CG2-CD2 4.39Å; I13-F167 HydrophobicContact CG2-CE2 4.32Å |
| 14 | L | 96.2 | Very high | 90.5 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 127.7 | 172.5 | -173.1 | 158.4 | 0 | 0 | 0 | 109.3 | S12 L22 W25 L47 I59 I162 R164 V165 | S12-L14 PolarHBondContact OG-O 2.76Å; L14-L22 HydrophobicContact CD1-CD2 4.33Å; L14-W25 HydrophobicContact CB-CZ2 3.71Å; L14-W25 HydrophobicContact CD1-CD2 4.33Å; L14-W25 HydrophobicContact CD1-CH2 4.47Å; L14-W25 HydrophobicContact CD1-CZ2 3.95Å; L14-W25 HydrophobicContact CG-CZ2 4.47Å; L14-L47 HydrophobicContact CD1-CD2 4.2Å; L14-I59 HydrophobicContact CD1-CD1 3.61Å; L14-I162 HydrophobicContact CD1-CD1 4.49Å; L14-I162 HydrophobicContact CD1-CG2 4.3Å; L14-I162 HydrophobicContact CD2-CB 4.38Å; L14-I162 HydrophobicContact CD2-CG2 3.66Å; L14-R164 CarbonylContact O-C 3.59Å; L14-R164 VanDerWaalsContact O-CA 3.3Å; L14-R164 WeakPolarHBondContact O-CA 3.45Å; L14-V165 HydrophobicContact CB-CB 3.92Å; L14-V165 HydrophobicContact CB-CG2 3.98Å; L14-V165 HydrophobicContact CD1-CG2 4.48Å; L14-V165 PolarHBondContact N-O 3.28Å; L14-V165 VanDerWaalsContact N-O 3.1Å; L14-V165 PolarHBondContact O-N 3.06Å |
| 15 | Y | 95 | Very high | 91.3 | Very high | 65 Ų | 65 | 54.3 Ų | 54.3 | 26% | 0.255 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 110.1 | 169.9 | 179.8 | -133.4 | 0 | 0 | 0 | 109.5 | V17 G18 P21 R163 R164 | Y15-V17 HydrophobicContact CD1-CB 4.39Å; Y15-V17 HydrophobicContact CE1-CB 3.75Å; Y15-V17 HydrophobicContact CE1-CG1 3.98Å; Y15-V17 HydrophobicContact CE2-CB 4.12Å; Y15-V17 PolarHBondContact O-N 2.96Å; Y15-V17 VanDerWaalsContact O-N 3.14Å; Y15-G18 PolarHBondContact O-N 3.2Å; Y15-P21 WeakPolarHBondContact O-CB 3.49Å; Y15-R163 VanDerWaalsContact CE2-CZ 3.46Å; Y15-R163 VanDerWaalsContact CE2-NH2 3.34Å; Y15-R163 PolarHBondContact OH-NH2 3.03Å; Y15-R164 HydrophobicContact CD2-CG 4.25Å; Y15-R164 VanDerWaalsContact CD2-NH2 3.29Å |
| 16 | S | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -22.7 | -169.3 | 61 | 0 | 0 | 0 | 0 | 114.8 | R36 L45 I162 R163 | S16-R36 PolarHBondContact O-NE 2.83Å; S16-R36 VanDerWaalsContact O-NE 3.1Å; S16-R36 PolarHBondContact O-NH2 2.76Å; S16-R36 VanDerWaalsContact O-NH2 3.16Å; S16-L45 VanDerWaalsContact CB-O 3.28Å; S16-L45 WeakPolarHBondContact CB-O 3.47Å; S16-L45 PolarHBondContact OG-O 2.78Å; S16-I162 WeakPolarHBondContact CB-O 3.33Å; S16-R163 WeakPolarHBondContact CB-O 3.36Å; S16-R163 PolarHBondContact N-O 3.34Å; S16-R163 PolarHBondContact OG-NH1 3.03Å; S16-R163 PolarHBondContact OG-O 2.75Å |
| 17 | V | 92.6 | Very high | 92.8 | Very high | 51 Ų | 51 | 51.7 Ų | 51.7 | 31% | 0.309 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -19.4 | 178.3 | 163.2 | 0 | 0 | 0 | 0 | 112.2 | Y15 R36 S44 L45 R163 | Y15-V17 HydrophobicContact CD1-CB 4.39Å; Y15-V17 HydrophobicContact CE1-CB 3.75Å; Y15-V17 HydrophobicContact CE1-CG1 3.98Å; Y15-V17 HydrophobicContact CE2-CB 4.12Å; Y15-V17 PolarHBondContact O-N 2.96Å; Y15-V17 VanDerWaalsContact O-N 3.14Å; V17-R36 PolarHBondContact O-NH2 3.24Å; V17-S44 WeakPolarHBondContact CG2-OG 3.48Å; V17-L45 HydrophobicContact CG2-CB 4.07Å; V17-R163 VanDerWaalsContact CG2-CZ 3.43Å |
| 18 | G | 90.2 | Very high | 93.4 | Very high | 24 Ų | 24 | 51.7 Ų | 51.7 | 25% | 0.247 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -58.1 | 161.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y15 K20 P21 R36 | Y15-G18 PolarHBondContact O-N 3.2Å; G18-K20 PolarHBondContact O-N 3.01Å; G18-P21 WeakPolarHBondContact O-CD 3.28Å; G18-R36 PolarHBondContact O-NH1 2.73Å; G18-R36 PolarHBondContact O-NH2 3.42Å |
| 19 | S | 90.5 | Very high | 93.9 | Very high | 115 Ų | 115 | 51.6 Ų | 51.6 | 80% | 0.804 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -63 | -41.8 | -178 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 20 | K | 93.2 | Very high | 94 | Very high | 147 Ų | 147 | 56.7 Ų | 56.7 | 64% | 0.639 | 30% | 0.301 | S | S | * | . | trans | -127.5 | 70.9 | -178.7 | -60.3 | -177.3 | -178.5 | 178.5 | 0 | 111.6 | G18 L22 Q23 | G18-K20 PolarHBondContact O-N 3.01Å; K20-L22 PolarHBondContact O-N 3.12Å; K20-L22 VanDerWaalsContact O-N 3.09Å; K20-Q23 HydrophobicContact CB-CB 3.97Å; K20-Q23 WeakPolarHBondContact O-CB 3.39Å; K20-Q23 PolarHBondContact O-N 2.69Å | ||
| 21 | P | 92.8 | Very high | 93.9 | Very high | 23 Ų | 23 | 60.6 Ų | 60.6 | 15% | 0.149 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -24.6 | -172 | 24.8 | -34.7 | 0 | 0 | 0 | 114.1 | Y15 G18 | Y15-P21 WeakPolarHBondContact O-CB 3.49Å; G18-P21 WeakPolarHBondContact O-CD 3.28Å |
| 22 | L | 94.3 | Very high | 93.9 | Very high | 21 Ų | 21 | 61.1 Ų | 61.1 | 11% | 0.11 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 16.9 | -179.3 | -66 | 175.2 | 0 | 0 | 0 | 113.1 | L14 K20 I24 W25 K27 I34 L47 I59 | L14-L22 HydrophobicContact CD1-CD2 4.33Å; K20-L22 PolarHBondContact O-N 3.12Å; K20-L22 VanDerWaalsContact O-N 3.09Å; L22-I24 PolarHBondContact O-N 3.03Å; L22-W25 HydrophobicContact CB-CB 4.2Å; L22-W25 HydrophobicContact CD2-CB 3.61Å; L22-W25 HydrophobicContact CD2-CD2 4.46Å; L22-W25 HydrophobicContact CD2-CG 3.82Å; L22-W25 PolarHBondContact O-N 3.04Å; L22-W25 VanDerWaalsContact O-O 3.08Å; L22-K27 HydrophobicContact CD1-CD 3.75Å; L22-K27 HydrophobicContact CD1-CG 4.2Å; L22-I34 HydrophobicContact CD1-CG2 3.96Å; L22-L47 HydrophobicContact CD1-CD1 3.91Å; L22-L47 HydrophobicContact CD1-CD2 3.96Å; L22-L47 HydrophobicContact CD2-CD2 3.62Å; L22-L47 HydrophobicContact CG-CD1 4.43Å; L22-L47 HydrophobicContact CG-CD2 4.02Å; L22-I59 HydrophobicContact CD2-CD1 4.09Å; L22-I59 HydrophobicContact CD2-CG2 4.1Å |
| 23 | Q | 93.7 | Very high | 94.1 | Very high | 146 Ų | 146 | 61.7 Ų | 61.7 | 68% | 0.682 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -37.9 | -177 | -177.2 | 176.8 | 4.8 | 0 | 0 | 113.4 | K20 | K20-Q23 HydrophobicContact CB-CB 3.97Å; K20-Q23 WeakPolarHBondContact O-CB 3.39Å; K20-Q23 PolarHBondContact O-N 2.69Å |
| 24 | I | 95.1 | Very high | 94.2 | Very high | 46 Ų | 46 | 62.8 Ų | 62.8 | 24% | 0.236 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 10.1 | 179.9 | 64.7 | 172.6 | 0 | 0 | 0 | 112.9 | F2 I13 L22 P62 A63 | F2-I24 HydrophobicContact CE2-CD1 4.38Å; F2-I24 HydrophobicContact CZ-CD1 4.25Å; I13-I24 HydrophobicContact CB-CD1 4.26Å; L22-I24 PolarHBondContact O-N 3.03Å; I24-P62 CarbonylContact O-C 3.41Å; I24-P62 WeakPolarHBondContact O-CA 3.22Å; I24-A63 PolarHBondContact O-N 3.49Å |
| 25 | W | 97.5 | Very high | 94.2 | Very high | 9 Ų | 9 | 68.4 Ų | 68.4 | 3% | 0.034 | 36% | 0.363 | C | S | . | . | trans | -115.9 | 132.3 | -174.5 | -65.3 | 77.6 | 0 | 0 | 0 | 111.4 | I13 L14 L22 I59 T60 C61 V154 I156 | I13-W25 HydrophobicContact CB-CZ2 4.35Å; I13-W25 HydrophobicContact CD1-CH2 3.88Å; I13-W25 HydrophobicContact CD1-CZ2 3.56Å; I13-W25 HydrophobicContact CG1-CZ2 3.88Å; I13-W25 PolarHBondContact O-NE1 3.41Å; L14-W25 HydrophobicContact CB-CZ2 3.71Å; L14-W25 HydrophobicContact CD1-CD2 4.33Å; L14-W25 HydrophobicContact CD1-CH2 4.47Å; L14-W25 HydrophobicContact CD1-CZ2 3.95Å; L14-W25 HydrophobicContact CG-CZ2 4.47Å; L22-W25 HydrophobicContact CB-CB 4.2Å; L22-W25 HydrophobicContact CD2-CB 3.61Å; L22-W25 HydrophobicContact CD2-CD2 4.46Å; L22-W25 HydrophobicContact CD2-CG 3.82Å; L22-W25 PolarHBondContact O-N 3.04Å; L22-W25 VanDerWaalsContact O-O 3.08Å; W25-I59 HydrophobicContact CD2-CD1 4.12Å; W25-I59 HydrophobicContact CD2-CG1 4.41Å; W25-I59 HydrophobicContact CE3-CB 3.73Å; W25-I59 HydrophobicContact CE3-CD1 3.6Å; W25-I59 HydrophobicContact CE3-CG1 3.48Å; W25-I59 VanDerWaalsContact CE3-CG1 3.48Å; W25-I59 HydrophobicContact CH2-CD1 4.43Å; W25-I59 HydrophobicContact CZ3-CB 4.36Å; W25-I59 HydrophobicContact CZ3-CD1 3.79Å; W25-I59 HydrophobicContact CZ3-CG1 3.65Å; W25-T60 CarbonylContact C-O 3.6Å; W25-T60 VanDerWaalsContact CA-O 3.3Å; W25-T60 WeakPolarHBondContact CA-O 3.44Å; W25-C61 HydrophobicContact CD2-CB 3.55Å; W25-C61 HydrophobicContact CE3-CB 3.53Å; W25-C61 HydrophobicContact CG-CB 4.24Å; W25-C61 HydrophobicContact CH2-CB 3.76Å; W25-C61 HydrophobicContact CZ2-CB 3.76Å; W25-C61 HydrophobicContact CZ3-CB 3.63Å; W25-V154 HydrophobicContact CH2-CB 4.43Å; W25-V154 HydrophobicContact CH2-CG1 4.11Å; W25-I156 HydrophobicContact CH2-CD1 3.98Å; W25-I156 HydrophobicContact CH2-CG1 4.47Å; W25-I156 HydrophobicContact CZ3-CD1 4.31Å; W25-I156 HydrophobicContact CZ3-CG1 4.42Å | ||
| 26 | D | 97.1 | Very high | 94.2 | Very high | 79 Ų | 79 | 69.7 Ų | 69.7 | 42% | 0.422 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 153.7 | 166.2 | 178.9 | 50.4 | 0 | 0 | 0 | 110.3 | I59 T60 A63 | D26-I59 CarbonylContact O-C 3.49Å; D26-I59 VanDerWaalsContact O-CA 3.25Å; D26-I59 WeakPolarHBondContact O-CA 3.47Å; D26-T60 PolarHBondContact N-O 2.85Å; D26-T60 PolarHBondContact O-N 2.79Å; D26-A63 HydrophobicContact CB-CB 3.99Å |
| 27 | K | 96.2 | Very high | 94.4 | Very high | 118 Ų | 118 | 71.8 Ų | 71.8 | 51% | 0.513 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 122.2 | -174.9 | -56.9 | 179.9 | -143.9 | 178.6 | 0 | 109.5 | L22 I34 I59 | L22-K27 HydrophobicContact CD1-CD 3.75Å; L22-K27 HydrophobicContact CD1-CG 4.2Å; K27-I34 HydrophobicContact CB-CD1 3.95Å; K27-I34 HydrophobicContact CG-CD1 4.25Å; K27-I59 HydrophobicContact CG-CG2 4.35Å |
| 28 | S | 96.2 | Very high | 94.5 | Very high | 36 Ų | 36 | 73.4 Ų | 73.4 | 25% | 0.252 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126.1 | 168.5 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | T57 F58 | S28-T57 CarbonylContact O-C 3.53Å; S28-T57 VanDerWaalsContact O-CA 3.29Å; S28-T57 WeakPolarHBondContact O-CA 3.47Å; S28-F58 VanDerWaalsContact CB-CE2 3.44Å; S28-F58 PolarHBondContact N-O 2.88Å; S28-F58 PolarHBondContact O-N 2.91Å; S28-F58 VanDerWaalsContact O-O 3.13Å |
| 29 | V | 95.4 | Very high | 94.8 | Very high | 63 Ų | 63 | 72.2 Ų | 72.2 | 38% | 0.382 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 115.7 | 179.8 | -172.6 | 0 | 0 | 0 | 0 | 108.8 | G32 I34 T57 | V29-G32 VanDerWaalsContact CG1-O 3.23Å; V29-G32 WeakPolarHBondContact CG1-O 3.5Å; V29-I34 HydrophobicContact CG2-CB 4.45Å; V29-I34 HydrophobicContact CG2-CD1 3.42Å; V29-I34 VanDerWaalsContact CG2-CD1 3.42Å; V29-I34 HydrophobicContact CG2-CG1 3.66Å; V29-T57 HydrophobicContact CG1-CG2 4.21Å; V29-T57 HydrophobicContact CG2-CG2 4.29Å |
| 30 | M | 92.1 | Very high | 94.9 | Very high | 120 Ų | 120 | 73.1 Ų | 73.1 | 59% | 0.591 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -122.8 | 124.6 | 163 | -36.5 | 177.7 | 76.9 | 0 | 0 | 107.7 | T56 T57 | M30-T56 PolarHBondContact N-O 2.81Å; M30-T56 PolarHBondContact O-OG1 2.9Å; M30-T56 VanDerWaalsContact O-OG1 3.09Å; M30-T56 HydrophobicContact SD-CG2 4.45Å; M30-T57 PolarHBondContact O-OG1 3.14Å |
| 31 | N | 89.2 | Confident | 94.8 | Very high | 134 Ų | 134 | 69.5 Ų | 69.5 | 72% | 0.717 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 53.5 | 55.8 | 179.2 | -58.6 | -30.3 | 0 | 0 | 0 | 114 | T52 | N31-T52 PolarHBondContact O-N 3.42Š|
| 32 | G | 93.4 | Very high | 94.8 | Very high | 35 Ų | 35 | 69 Ų | 69 | 36% | 0.361 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -174 | -165.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V29 M50 | V29-G32 VanDerWaalsContact CG1-O 3.23Å; V29-G32 WeakPolarHBondContact CG1-O 3.5Å; G32-M50 CarbonylContact C-O 3.59Å; G32-M50 WeakPolarHBondContact CA-O 3.25Å |
| 33 | H | 96.3 | Very high | 94.7 | Very high | 54 Ų | 54 | 75 Ų | 75 | 25% | 0.25 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 156.4 | 172.9 | 63.2 | -100.6 | 0 | 0 | 0 | 112.3 | K35 E48 M50 | H33-K35 HydrophobicContact CB-CD 4.29Å; H33-K35 HydrophobicContact CB-CG 4.17Å; H33-E48 IonicContact CD2-OE1 3.82Å; H33-E48 IonicContact CE1-OE1 3.68Å; H33-E48 IonicContact NE2-OE1 3.04Å; H33-E48 PolarHBondContact NE2-OE1 3.41Å; H33-M50 PolarHBondContact N-O 2.8Å; H33-M50 PolarHBondContact O-N 3.06Å |
| 34 | I | 96.8 | Very high | 94.7 | Very high | 30 Ų | 30 | 69.3 Ų | 69.3 | 15% | 0.154 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 107.7 | 168.2 | -60.2 | 171.2 | 0 | 0 | 0 | 106.2 | L22 K27 V29 L47 E48 L49 T57 I59 | L22-I34 HydrophobicContact CD1-CG2 3.96Å; K27-I34 HydrophobicContact CB-CD1 3.95Å; K27-I34 HydrophobicContact CG-CD1 4.25Å; V29-I34 HydrophobicContact CG2-CB 4.45Å; V29-I34 HydrophobicContact CG2-CD1 3.42Å; V29-I34 VanDerWaalsContact CG2-CD1 3.42Å; V29-I34 HydrophobicContact CG2-CG1 3.66Å; I34-L47 HydrophobicContact CG2-CD1 3.93Å; I34-L47 HydrophobicContact CG2-CD2 4.19Å; I34-L47 HydrophobicContact CG2-CG 4.13Å; I34-E48 CarbonylContact C-O 3.51Å; I34-E48 VanDerWaalsContact CA-O 3.31Å; I34-E48 WeakPolarHBondContact CA-O 3.2Å; I34-L49 HydrophobicContact CG1-CG 4.23Å; I34-L49 HydrophobicContact CG2-CD1 4.28Å; I34-T57 HydrophobicContact CD1-CG2 4.47Å; I34-T57 HydrophobicContact CG1-CG2 4.11Å; I34-I59 HydrophobicContact CD1-CG2 3.65Å; I34-I59 HydrophobicContact CG2-CG2 4.37Å |
| 35 | K | 96.3 | Very high | 94.7 | Very high | 120 Ų | 120 | 70 Ų | 70 | 52% | 0.522 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 144.2 | -174.6 | -69.7 | 179.7 | -176.9 | 176.3 | 0 | 110.6 | H33 I37 E48 | H33-K35 HydrophobicContact CB-CD 4.29Å; H33-K35 HydrophobicContact CB-CG 4.17Å; K35-I37 HydrophobicContact CB-CG2 4.09Å; K35-E48 PolarHBondContact N-O 2.87Å; K35-E48 PolarHBondContact O-N 2.8Å |
| 36 | R | 96.3 | Very high | 94.7 | Very high | 92 Ų | 92 | 69.6 Ų | 69.6 | 35% | 0.347 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 120.4 | 168 | -174.9 | 179.9 | 174.4 | 166.3 | 3.3 | 107.6 | S16 V17 G18 L45 V46 | S16-R36 PolarHBondContact O-NE 2.83Å; S16-R36 VanDerWaalsContact O-NE 3.1Å; S16-R36 PolarHBondContact O-NH2 2.76Å; S16-R36 VanDerWaalsContact O-NH2 3.16Å; V17-R36 PolarHBondContact O-NH2 3.24Å; G18-R36 PolarHBondContact O-NH1 2.73Å; G18-R36 PolarHBondContact O-NH2 3.42Å; R36-L45 HydrophobicContact CG-CB 4.41Å; R36-L45 HydrophobicContact CG-CD2 4.41Å; R36-V46 CarbonylContact C-O 3.44Å; R36-V46 VanDerWaalsContact CA-O 3.32Å; R36-V46 WeakPolarHBondContact CA-O 3.41Å |
| 37 | I | 96.5 | Very high | 94.7 | Very high | 44 Ų | 44 | 66 Ų | 66 | 23% | 0.226 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 163.6 | -176.8 | 65.7 | 168.9 | 0 | 0 | 0 | 110 | K35 L45 V46 E48 | K35-I37 HydrophobicContact CB-CG2 4.09Å; I37-L45 CarbonylContact O-C 3.58Å; I37-L45 WeakPolarHBondContact O-CA 3.36Å; I37-V46 HydrophobicContact CD1-CG2 4.45Å; I37-V46 HydrophobicContact CG1-CG2 3.75Å; I37-V46 PolarHBondContact N-O 3.43Å; I37-V46 PolarHBondContact O-N 2.94Å; I37-E48 HydrophobicContact CD1-CB 3.94Å; I37-E48 HydrophobicContact CD1-CG 4.4Å; I37-E48 WeakPolarHBondContact CD1-OE2 3.38Å; I37-E48 HydrophobicContact CG1-CB 4.13Å |
| 38 | T | 96.2 | Very high | 94.8 | Very high | 85 Ų | 85 | 61.5 Ų | 61.5 | 52% | 0.521 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 121.5 | 167.7 | -54.9 | 0 | 0 | 0 | 0 | 108.7 | S44 | T38-S44 WeakPolarHBondContact CA-O 3.46Å |
| 39 | D | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 134.3 | 174.2 | -171.4 | -100.7 | 0 | 0 | 0 | 110.4 | D41 I42 Q43 S44 V46 K81 W129 R161 | D39-D41 PolarHBondContact O-N 2.84Å; D39-D41 WeakPolarHBondContact OD1-CB 3.42Å; D39-D41 PolarHBondContact OD1-N 2.94Å; D39-I42 HydrophobicContact CB-CD1 4.5Å; D39-I42 HydrophobicContact CB-CG1 3.87Å; D39-Q43 WeakPolarHBondContact O-CA 3.24Å; D39-Q43 PolarHBondContact O-N 2.95Å; D39-S44 PolarHBondContact N-O 3.13Å; D39-V46 HydrophobicContact CB-CB 4.48Å; D39-V46 HydrophobicContact CB-CG1 3.84Å; D39-V46 HydrophobicContact CB-CG2 3.78Å; D39-K81 IonicContact OD1-NZ 2.71Å; D39-K81 PolarHBondContact OD1-NZ 2.77Å; D39-K81 VanDerWaalsContact OD1-NZ 3.14Å; D39-K81 WeakPolarHBondContact OD2-CD 3.37Å; D39-K81 IonicContact OD2-NZ 2.97Å; D39-K81 PolarHBondContact OD2-NZ 2.83Å; D39-W129 HydrophobicContact CB-CZ2 4.23Å; D39-W129 PolarHBondContact OD1-NE1 3.26Å; D39-R161 WeakPolarHBondContact OD2-CD 3.42Å; D39-R161 IonicContact OD2-CZ 2.69Å; D39-R161 IonicContact OD2-NE 3.29Å; D39-R161 IonicContact OD2-NH1 2.8Å; D39-R161 PolarHBondContact OD2-NH1 2.86Å |
| 40 | N | 92.7 | Very high | 94.9 | Very high | 134 Ų | 134 | 58.5 Ų | 58.5 | 72% | 0.717 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -31.3 | -176.5 | -65.1 | -18 | 0 | 0 | 0 | 113.2 | ||
| 41 | D | 91.6 | Very high | 94.9 | Very high | 70 Ų | 70 | 53.2 Ų | 53.2 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -32.6 | -173.4 | -54.2 | 6.1 | 0 | 0 | 0 | 111.4 | D39 K81 P186 | D39-D41 PolarHBondContact O-N 2.84Å; D39-D41 WeakPolarHBondContact OD1-CB 3.42Å; D39-D41 PolarHBondContact OD1-N 2.94Å; D41-K81 IonicContact OD1-NZ 3.04Å; D41-K81 PolarHBondContact OD1-NZ 2.92Å; D41-K81 WeakPolarHBondContact OD2-CE 3.12Å; D41-K81 IonicContact OD2-NZ 2.86Å; D41-K81 PolarHBondContact OD2-NZ 2.9Å; D41-P186 WeakPolarHBondContact O-CD 2.86Å |
| 42 | I | 92.7 | Very high | 95 | Very high | 14 Ų | 14 | 52.8 Ų | 52.8 | 7% | 0.072 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -0.5 | -177.5 | 61.2 | 164.4 | 0 | 0 | 0 | 113.1 | D39 S44 V46 W129 L183 L185 | D39-I42 HydrophobicContact CB-CD1 4.5Å; D39-I42 HydrophobicContact CB-CG1 3.87Å; I42-S44 PolarHBondContact O-N 3.25Å; I42-V46 HydrophobicContact CD1-CG1 3.78Å; I42-W129 HydrophobicContact CD1-CH2 4.06Å; I42-W129 HydrophobicContact CD1-CZ2 3.47Å; I42-W129 VanDerWaalsContact CD1-CZ2 3.47Å; I42-W129 HydrophobicContact CG1-CZ2 3.95Å; I42-L183 HydrophobicContact CD1-CD1 4.05Å; I42-L183 HydrophobicContact CG2-CD1 3.91Å; I42-L183 HydrophobicContact CG2-CD2 4.5Å; I42-L183 HydrophobicContact CG2-CG 4.21Å; I42-L185 HydrophobicContact CG2-CD2 3.68Å |
| 43 | Q | 92.3 | Very high | 94.8 | Very high | 145 Ų | 145 | 54.9 Ų | 54.9 | 68% | 0.678 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 37.8 | -177.8 | -62.4 | -177.5 | -24.5 | 0 | 0 | 113.2 | D39 P186 | D39-Q43 WeakPolarHBondContact O-CA 3.24Å; D39-Q43 PolarHBondContact O-N 2.95Å; Q43-P186 HydrophobicContact CG-CG 3.94Å |
| 44 | S | 93 | Very high | 94.4 | Very high | 28 Ų | 28 | 52.9 Ų | 52.9 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 158.7 | -172.1 | -161.9 | 0 | 0 | 0 | 0 | 111.5 | V17 T38 D39 I42 V46 | V17-S44 WeakPolarHBondContact CG2-OG 3.48Å; T38-S44 WeakPolarHBondContact CA-O 3.46Å; D39-S44 PolarHBondContact N-O 3.13Å; I42-S44 PolarHBondContact O-N 3.25Å; S44-V46 PolarHBondContact O-N 3.43Å |
| 45 | L | 95.3 | Very high | 94 | Very high | 61 Ų | 61 | 54.5 Ų | 54.5 | 32% | 0.319 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 127.9 | 179.9 | -66.7 | 167.4 | 0 | 0 | 0 | 110.1 | S16 V17 R36 I37 | S16-L45 VanDerWaalsContact CB-O 3.28Å; S16-L45 WeakPolarHBondContact CB-O 3.47Å; S16-L45 PolarHBondContact OG-O 2.78Å; V17-L45 HydrophobicContact CG2-CB 4.07Å; R36-L45 HydrophobicContact CG-CB 4.41Å; R36-L45 HydrophobicContact CG-CD2 4.41Å; I37-L45 CarbonylContact O-C 3.58Å; I37-L45 WeakPolarHBondContact O-CA 3.36Å |
| 46 | V | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 157.9 | 178.5 | -58.8 | 0 | 0 | 0 | 0 | 109.9 | R36 I37 D39 I42 S44 W129 R161 | R36-V46 CarbonylContact C-O 3.44Å; R36-V46 VanDerWaalsContact CA-O 3.32Å; R36-V46 WeakPolarHBondContact CA-O 3.41Å; I37-V46 HydrophobicContact CD1-CG2 4.45Å; I37-V46 HydrophobicContact CG1-CG2 3.75Å; I37-V46 PolarHBondContact N-O 3.43Å; I37-V46 PolarHBondContact O-N 2.94Å; D39-V46 HydrophobicContact CB-CB 4.48Å; D39-V46 HydrophobicContact CB-CG1 3.84Å; D39-V46 HydrophobicContact CB-CG2 3.78Å; I42-V46 HydrophobicContact CD1-CG1 3.78Å; S44-V46 PolarHBondContact O-N 3.43Å; V46-W129 HydrophobicContact CB-CH2 4.26Å; V46-W129 HydrophobicContact CG1-CH2 3.53Å; V46-W129 HydrophobicContact CG1-CZ2 3.71Å; V46-R161 HydrophobicContact CB-CB 4.27Å; V46-R161 HydrophobicContact CG2-CB 3.94Å; V46-R161 HydrophobicContact CG2-CG 4.17Å |
| 47 | L | 97.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 110.8 | 173.1 | -168.9 | 76.2 | 0 | 0 | 0 | 109.8 | L14 L22 I34 L49 I59 R161 I162 | L14-L47 HydrophobicContact CD1-CD2 4.2Å; L22-L47 HydrophobicContact CD1-CD1 3.91Å; L22-L47 HydrophobicContact CD1-CD2 3.96Å; L22-L47 HydrophobicContact CD2-CD2 3.62Å; L22-L47 HydrophobicContact CG-CD1 4.43Å; L22-L47 HydrophobicContact CG-CD2 4.02Å; I34-L47 HydrophobicContact CG2-CD1 3.93Å; I34-L47 HydrophobicContact CG2-CD2 4.19Å; I34-L47 HydrophobicContact CG2-CG 4.13Å; L47-L49 HydrophobicContact CD2-CD1 3.7Å; L47-L49 HydrophobicContact CG-CD1 3.81Å; L47-I59 HydrophobicContact CD2-CD1 4.04Å; L47-R161 CarbonylContact O-C 3.54Å; L47-R161 VanDerWaalsContact O-CA 3.31Å; L47-R161 WeakPolarHBondContact O-CA 3.45Å; L47-I162 HydrophobicContact CB-CB 4.44Å; L47-I162 PolarHBondContact N-O 2.96Å; L47-I162 PolarHBondContact O-N 2.8Å |
| 48 | E | 97.7 | Very high | 93.8 | Very high | 22 Ų | 22 | 45.3 Ų | 45.3 | 10% | 0.103 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 124.6 | 175.8 | -176.8 | 174.1 | 86.5 | 0 | 0 | 110.5 | H33 I34 K35 I37 M50 R161 | H33-E48 IonicContact CD2-OE1 3.82Å; H33-E48 IonicContact CE1-OE1 3.68Å; H33-E48 IonicContact NE2-OE1 3.04Å; H33-E48 PolarHBondContact NE2-OE1 3.41Å; I34-E48 CarbonylContact C-O 3.51Å; I34-E48 VanDerWaalsContact CA-O 3.31Å; I34-E48 WeakPolarHBondContact CA-O 3.2Å; K35-E48 PolarHBondContact N-O 2.87Å; K35-E48 PolarHBondContact O-N 2.8Å; I37-E48 HydrophobicContact CD1-CB 3.94Å; I37-E48 HydrophobicContact CD1-CG 4.4Å; I37-E48 WeakPolarHBondContact CD1-OE2 3.38Å; I37-E48 HydrophobicContact CG1-CB 4.13Å; E48-M50 HydrophobicContact CG-CG 3.56Å; E48-R161 HydrophobicContact CB-CG 4.02Å; E48-R161 HydrophobicContact CG-CG 4.07Å; E48-R161 IonicContact OE2-CZ 3.02Å; E48-R161 VanDerWaalsContact OE2-CZ 3.28Å; E48-R161 IonicContact OE2-NE 2.64Å; E48-R161 PolarHBondContact OE2-NE 3.26Å; E48-R161 IonicContact OE2-NH2 3.14Å; E48-R161 PolarHBondContact OE2-NH2 2.69Å |
| 49 | L | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 116.5 | 170.9 | -79.9 | 65.4 | 0 | 0 | 0 | 107.7 | I34 L47 I59 I156 A158 N159 C160 I162 | I34-L49 HydrophobicContact CG1-CG 4.23Å; I34-L49 HydrophobicContact CG2-CD1 4.28Å; L47-L49 HydrophobicContact CD2-CD1 3.7Å; L47-L49 HydrophobicContact CG-CD1 3.81Å; L49-I59 HydrophobicContact CD1-CD1 4.5Å; L49-I59 HydrophobicContact CD2-CD1 4.32Å; L49-I59 HydrophobicContact CD2-CG1 4.02Å; L49-I59 HydrophobicContact CD2-CG2 4.28Å; L49-I156 HydrophobicContact CD2-CG2 4.38Å; L49-I156 WeakPolarHBondContact CD2-O 3.19Å; L49-A158 HydrophobicContact CB-CB 4.43Å; L49-N159 VanDerWaalsContact O-CA 3.27Å; L49-N159 WeakPolarHBondContact O-CA 3.19Å; L49-C160 PolarHBondContact N-O 3.34Å; L49-C160 PolarHBondContact O-N 2.85Å; L49-C160 VanDerWaalsContact O-N 3.08Å; L49-I162 HydrophobicContact CD1-CD1 3.75Å; L49-I162 HydrophobicContact CD1-CG1 4.33Å; L49-I162 HydrophobicContact CD2-CD1 4.17Å |
| 50 | M | 96.4 | Very high | 94 | Very high | 36 Ų | 36 | 41.8 Ų | 41.8 | 18% | 0.177 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 138.2 | -179.3 | -72 | -70.5 | -71.2 | 0 | 0 | 110.1 | G32 H33 E48 T57 L83 K85 N159 | G32-M50 CarbonylContact C-O 3.59Å; G32-M50 WeakPolarHBondContact CA-O 3.25Å; H33-M50 PolarHBondContact N-O 2.8Å; H33-M50 PolarHBondContact O-N 3.06Å; E48-M50 HydrophobicContact CG-CG 3.56Å; M50-T57 WeakPolarHBondContact O-CG2 3.48Å; M50-L83 HydrophobicContact CG-CD1 4.48Å; M50-L83 HydrophobicContact SD-CD1 3.41Å; M50-L83 WeakPolarHBondContact SD-CD1 3.25Å; M50-K85 HydrophobicContact CE-CD 4.24Å; M50-N159 VanDerWaalsContact CA-OD1 3.3Å; M50-N159 WeakPolarHBondContact CA-OD1 3.35Å; M50-N159 HydrophobicContact SD-CB 4.01Å; M50-N159 PolarHBondContact SD-OD1 3Å |
| 51 | G | 93.4 | Very high | 94.2 | Very high | 10 Ų | 10 | 35.4 Ų | 35.4 | 10% | 0.103 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 150.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | N53 N159 | G51-N53 VanDerWaalsContact C-N 3.28Å; G51-N159 PolarHBondContact N-OD1 3.29Å; G51-N159 PolarHBondContact O-ND2 2.8Å; G51-N159 PolarHBondContact O-OD1 3.17Å; G51-N159 VanDerWaalsContact O-OD1 3.07Å |
| 52 | T | 91.4 | Very high | 94.5 | Very high | 124 Ų | 124 | 32.1 Ų | 32.1 | 76% | 0.761 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -66.6 | -34.4 | 175.1 | 54.7 | 0 | 0 | 0 | 0 | 111.4 | N31 | N31-T52 PolarHBondContact O-N 3.42Š|
| 53 | N | 88.9 | Confident | 94.6 | Very high | 80 Ų | 80 | 33 Ų | 33 | 43% | 0.428 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -120.9 | 121.5 | 174.3 | -174.9 | -7.1 | 0 | 0 | 0 | 111.4 | G51 S55 T56 | G51-N53 VanDerWaalsContact C-N 3.28Å; N53-S55 VanDerWaalsContact CG-OG 3.29Å; N53-S55 PolarHBondContact ND2-OG 3.01Å; N53-S55 VanDerWaalsContact ND2-OG 3.17Å; N53-S55 PolarHBondContact O-N 3Å; N53-S55 VanDerWaalsContact O-N 3.16Å; N53-S55 PolarHBondContact OD1-N 2.8Å; N53-S55 PolarHBondContact OD1-OG 3.17Å; N53-T56 HydrophobicContact CB-CG2 3.94Å; N53-T56 PolarHBondContact O-N 3.04Å; N53-T56 PolarHBondContact O-OG1 3.32Å |
| 54 | V | 87.7 | Confident | 94.7 | Very high | 12 Ų | 12 | 30.2 Ų | 30.2 | 7% | 0.073 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -35.4 | 177.5 | 173.8 | 0 | 0 | 0 | 0 | 112.7 | T56 Y86 Y108 H157 A158 | V54-T56 PolarHBondContact O-N 3.09Å; V54-Y86 VanDerWaalsContact CG2-CB 3.5Å; V54-Y86 WeakPolarHBondContact CG2-O 3.37Å; V54-Y108 HydrophobicContact CG1-CE1 4.44Å; V54-H157 HydrophobicContact CG1-CB 3.64Å; V54-H157 WeakPolarHBondContact O-CB 3.25Å; V54-H157 PolarHBondContact O-ND1 2.72Å; V54-A158 WeakPolarHBondContact CG1-O 3.45Å; V54-A158 WeakPolarHBondContact CG2-O 3.41Å |
| 55 | S | 87.8 | Confident | 94.6 | Very high | 64 Ų | 64 | 34.2 Ų | 34.2 | 45% | 0.448 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -15.2 | -178.4 | 65 | 0 | 0 | 0 | 0 | 113.9 | N53 F58 | N53-S55 VanDerWaalsContact CG-OG 3.29Å; N53-S55 PolarHBondContact ND2-OG 3.01Å; N53-S55 VanDerWaalsContact ND2-OG 3.17Å; N53-S55 PolarHBondContact O-N 3Å; N53-S55 VanDerWaalsContact O-N 3.16Å; N53-S55 PolarHBondContact OD1-N 2.8Å; N53-S55 PolarHBondContact OD1-OG 3.17Å; S55-F58 WeakPolarHBondContact O-CE1 3.3Å |
| 56 | T | 92.6 | Very high | 94.5 | Very high | 27 Ų | 27 | 41.4 Ų | 41.4 | 17% | 0.166 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | -17.5 | -168.9 | 63.7 | 0 | 0 | 0 | 0 | 114.5 | M30 N53 V54 | M30-T56 PolarHBondContact N-O 2.81Å; M30-T56 PolarHBondContact O-OG1 2.9Å; M30-T56 VanDerWaalsContact O-OG1 3.09Å; M30-T56 HydrophobicContact SD-CG2 4.45Å; N53-T56 HydrophobicContact CB-CG2 3.94Å; N53-T56 PolarHBondContact O-N 3.04Å; N53-T56 PolarHBondContact O-OG1 3.32Å; V54-T56 PolarHBondContact O-N 3.09Å |
| 57 | T | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 112.2 | 177.7 | -62.3 | 0 | 0 | 0 | 0 | 110.2 | S28 V29 M30 I34 M50 A158 | S28-T57 CarbonylContact O-C 3.53Å; S28-T57 VanDerWaalsContact O-CA 3.29Å; S28-T57 WeakPolarHBondContact O-CA 3.47Å; V29-T57 HydrophobicContact CG1-CG2 4.21Å; V29-T57 HydrophobicContact CG2-CG2 4.29Å; M30-T57 PolarHBondContact O-OG1 3.14Å; I34-T57 HydrophobicContact CD1-CG2 4.47Å; I34-T57 HydrophobicContact CG1-CG2 4.11Å; M50-T57 WeakPolarHBondContact O-CG2 3.48Å; T57-A158 HydrophobicContact CG2-CB 4.27Å; T57-A158 PolarHBondContact O-N 2.93Å |
| 58 | F | 97.2 | Very high | 94.2 | Very high | 36 Ų | 36 | 49 Ų | 49 | 16% | 0.158 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 160.9 | -177.6 | 57.6 | -99.5 | 0 | 0 | 0 | 112.5 | S28 S55 T60 Q155 I156 H157 | S28-F58 VanDerWaalsContact CB-CE2 3.44Å; S28-F58 PolarHBondContact N-O 2.88Å; S28-F58 PolarHBondContact O-N 2.91Å; S28-F58 VanDerWaalsContact O-O 3.13Å; S55-F58 WeakPolarHBondContact O-CE1 3.3Å; F58-T60 WeakPolarHBondContact CD2-OG1 3.43Å; F58-T60 WeakPolarHBondContact CE2-OG1 3.42Å; F58-Q155 HydrophobicContact CB-CG 4.15Å; F58-Q155 HydrophobicContact CD2-CG 3.89Å; F58-Q155 HydrophobicContact CG-CG 4.15Å; F58-Q155 VanDerWaalsContact CG-NE2 3.35Å; F58-I156 CarbonylContact C-O 3.51Å; F58-I156 WeakPolarHBondContact CA-O 3.41Å; F58-I156 VanDerWaalsContact CB-O 3.28Å; F58-I156 WeakPolarHBondContact CB-O 3.48Å; F58-H157 HydrophobicContact CB-CB 4.35Å; F58-H157 AromaticContact CD1-CE1 3.85Å; F58-H157 AromaticContact CD1-ND1 3.84Å |
| 59 | I | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 145.4 | 167.1 | 60.7 | 179.6 | 0 | 0 | 0 | 110 | L14 L22 W25 D26 K27 I34 L47 L49 Q155 I156 I162 | L14-I59 HydrophobicContact CD1-CD1 3.61Å; L22-I59 HydrophobicContact CD2-CD1 4.09Å; L22-I59 HydrophobicContact CD2-CG2 4.1Å; W25-I59 HydrophobicContact CD2-CD1 4.12Å; W25-I59 HydrophobicContact CD2-CG1 4.41Å; W25-I59 HydrophobicContact CE3-CB 3.73Å; W25-I59 HydrophobicContact CE3-CD1 3.6Å; W25-I59 HydrophobicContact CE3-CG1 3.48Å; W25-I59 VanDerWaalsContact CE3-CG1 3.48Å; W25-I59 HydrophobicContact CH2-CD1 4.43Å; W25-I59 HydrophobicContact CZ3-CB 4.36Å; W25-I59 HydrophobicContact CZ3-CD1 3.79Å; W25-I59 HydrophobicContact CZ3-CG1 3.65Å; D26-I59 CarbonylContact O-C 3.49Å; D26-I59 VanDerWaalsContact O-CA 3.25Å; D26-I59 WeakPolarHBondContact O-CA 3.47Å; K27-I59 HydrophobicContact CG-CG2 4.35Å; I34-I59 HydrophobicContact CD1-CG2 3.65Å; I34-I59 HydrophobicContact CG2-CG2 4.37Å; L47-I59 HydrophobicContact CD2-CD1 4.04Å; L49-I59 HydrophobicContact CD1-CD1 4.5Å; L49-I59 HydrophobicContact CD2-CD1 4.32Å; L49-I59 HydrophobicContact CD2-CG1 4.02Å; L49-I59 HydrophobicContact CD2-CG2 4.28Å; I59-Q155 CarbonylContact O-C 3.6Å; I59-Q155 VanDerWaalsContact O-CA 3.3Å; I59-Q155 WeakPolarHBondContact O-CA 3.46Å; I59-I156 HydrophobicContact CD1-CB 4.45Å; I59-I156 HydrophobicContact CG1-CB 4.01Å; I59-I156 PolarHBondContact N-O 2.78Å; I59-I156 PolarHBondContact O-N 2.93Å; I59-I162 HydrophobicContact CD1-CD1 3.78Å |
| 60 | T | 97.9 | Very high | 94 | Very high | 11 Ų | 11 | 48 Ų | 48 | 7% | 0.067 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 130.9 | -178.7 | -50.3 | 0 | 0 | 0 | 0 | 111.4 | W25 D26 F58 P62 R153 V154 Q155 | W25-T60 CarbonylContact C-O 3.6Å; W25-T60 VanDerWaalsContact CA-O 3.3Å; W25-T60 WeakPolarHBondContact CA-O 3.44Å; D26-T60 PolarHBondContact N-O 2.85Å; D26-T60 PolarHBondContact O-N 2.79Å; F58-T60 WeakPolarHBondContact CD2-OG1 3.43Å; F58-T60 WeakPolarHBondContact CE2-OG1 3.42Å; T60-P62 CarbonylContact O-C 3.58Å; T60-R153 HydrophobicContact CG2-CG 3.7Å; T60-V154 CarbonylContact C-O 3.43Å; T60-V154 WeakPolarHBondContact CA-O 3.28Å; T60-Q155 HydrophobicContact CG2-CB 4.49Å |
| 61 | C | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 124.7 | 175 | -167.6 | 0 | 0 | 0 | 0 | 110.3 | W25 R153 V154 | W25-C61 HydrophobicContact CD2-CB 3.55Å; W25-C61 HydrophobicContact CE3-CB 3.53Å; W25-C61 HydrophobicContact CG-CB 4.24Å; W25-C61 HydrophobicContact CH2-CB 3.76Å; W25-C61 HydrophobicContact CZ2-CB 3.76Å; W25-C61 HydrophobicContact CZ3-CB 3.63Å; C61-R153 CarbonylContact O-C 3.56Å; C61-R153 VanDerWaalsContact O-CA 3.24Å; C61-R153 WeakPolarHBondContact O-CA 3.12Å; C61-R153 WeakPolarHBondContact O-CG 3.32Å; C61-V154 PolarHBondContact N-O 3.44Å; C61-V154 PolarHBondContact O-N 2.9Å |
| 62 | P | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | S | Bend | cis | -78.7 | 158.1 | 5.2 | 31.5 | -32.2 | 0 | 0 | 0 | 113.2 | M1 I24 T60 E64 R67 R153 | M1-P62 HydrophobicContact CE-CB 3.27Å; M1-P62 HydrophobicContact CE-CG 4.44Å; M1-P62 HydrophobicContact SD-CB 3.56Å; M1-P62 VanDerWaalsContact SD-CB 3.56Å; I24-P62 CarbonylContact O-C 3.41Å; I24-P62 WeakPolarHBondContact O-CA 3.22Å; T60-P62 CarbonylContact O-C 3.58Å; P62-E64 VanDerWaalsContact C-N 3.34Å; P62-E64 PolarHBondContact O-N 3.04Å; P62-R67 HydrophobicContact CB-CB 4.27Å; P62-R67 HydrophobicContact CG-CB 3.96Å; P62-R67 WeakPolarHBondContact CG-O 3.49Å; P62-R153 PolarHBondContact O-NH1 2.67Å |
| 63 | A | 95.2 | Very high | 94.4 | Very high | 33 Ų | 33 | 46.3 Ų | 46.3 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -57.7 | -45.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I24 D26 P65 | I24-A63 PolarHBondContact O-N 3.49Å; D26-A63 HydrophobicContact CB-CB 3.99Å; A63-P65 WeakPolarHBondContact O-CD 3.24Å |
| 64 | E | 94.2 | Very high | 94.7 | Very high | 86 Ų | 86 | 43.7 Ų | 43.7 | 40% | 0.402 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -74.6 | 126.4 | 177.8 | -71.4 | 169.9 | -108.6 | 0 | 0 | 111.6 | P62 K66 R67 R153 | P62-E64 VanDerWaalsContact C-N 3.34Å; P62-E64 PolarHBondContact O-N 3.04Å; E64-K66 VanDerWaalsContact C-N 3.29Å; E64-K66 PolarHBondContact O-N 2.93Å; E64-R67 HydrophobicContact CB-CB 4.15Å; E64-R67 HydrophobicContact CB-CG 3.87Å; E64-R67 PolarHBondContact O-N 3.01Å; E64-R67 WeakPolarHBondContact OE1-CD 3.35Å; E64-R67 IonicContact OE1-CZ 2.87Å; E64-R67 IonicContact OE1-NE 2.79Å; E64-R67 PolarHBondContact OE1-NE 3.29Å; E64-R67 IonicContact OE1-NH1 3.84Å; E64-R67 PolarHBondContact OE1-NH1 2.78Å; E64-R67 IonicContact OE1-NH2 3.96Å; E64-R67 PolarHBondContact OE1-NH2 3.05Å; E64-R67 WeakPolarHBondContact OE2-CD 3.36Å; E64-R67 IonicContact OE2-CZ 3.31Å; E64-R67 IonicContact OE2-NE 3.46Å; E64-R67 PolarHBondContact OE2-NE 2.91Å; E64-R67 IonicContact OE2-NH2 2.97Å; E64-R153 PolarHBondContact O-NH2 3.21Å |
| 65 | P | 91.6 | Very high | 95.2 | Very high | 113 Ų | 113 | 44.6 Ų | 44.6 | 73% | 0.734 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -34.3 | -179.5 | -27.7 | 36 | 0 | 0 | 0 | 114.3 | A63 R67 R153 | A63-P65 WeakPolarHBondContact O-CD 3.24Å; P65-R67 VanDerWaalsContact C-N 3.35Å; P65-R153 VanDerWaalsContact CA-NH2 3.33Å; P65-R153 PolarHBondContact O-NH2 2.86Å |
| 66 | K | 92 | Very high | 95.7 | Very high | 211 Ų | 211 | 41.6 Ų | 41.6 | 92% | 0.917 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -16.4 | -177.7 | -65.1 | -177.8 | -179.9 | 178.1 | 0 | 113.5 | E64 | E64-K66 VanDerWaalsContact C-N 3.29Å; E64-K66 PolarHBondContact O-N 2.93Å |
| 67 | R | 93.1 | Very high | 95.9 | Very high | 133 Ų | 133 | 40.4 Ų | 40.4 | 50% | 0.502 | 20% | 0.199 | S | C | . | . | trans | -86.9 | 156.6 | 178.9 | -66.9 | -169.5 | -178.3 | -166.9 | -2.7 | 111 | M1 P62 E64 P65 R153 | M1-R67 HydrophobicContact CE-CB 4.23Å; P62-R67 HydrophobicContact CB-CB 4.27Å; P62-R67 HydrophobicContact CG-CB 3.96Å; P62-R67 WeakPolarHBondContact CG-O 3.49Å; E64-R67 HydrophobicContact CB-CB 4.15Å; E64-R67 HydrophobicContact CB-CG 3.87Å; E64-R67 PolarHBondContact O-N 3.01Å; E64-R67 WeakPolarHBondContact OE1-CD 3.35Å; E64-R67 IonicContact OE1-CZ 2.87Å; E64-R67 IonicContact OE1-NE 2.79Å; E64-R67 PolarHBondContact OE1-NE 3.29Å; E64-R67 IonicContact OE1-NH1 3.84Å; E64-R67 PolarHBondContact OE1-NH1 2.78Å; E64-R67 IonicContact OE1-NH2 3.96Å; E64-R67 PolarHBondContact OE1-NH2 3.05Å; E64-R67 WeakPolarHBondContact OE2-CD 3.36Å; E64-R67 IonicContact OE2-CZ 3.31Å; E64-R67 IonicContact OE2-NE 3.46Å; E64-R67 PolarHBondContact OE2-NE 2.91Å; E64-R67 IonicContact OE2-NH2 2.97Å; P65-R67 VanDerWaalsContact C-N 3.35Å; R67-R153 PolarHBondContact O-NH2 2.77Å | ||
| 68 | S | 94.5 | Very high | 95.9 | Very high | 31 Ų | 31 | 40.4 Ų | 40.4 | 22% | 0.217 | 20% | 0.199 | C | C | . | . | trans | -118 | 153 | 168.5 | 65.6 | 0 | 0 | 0 | 0 | 110.8 | M1 L152 | M1-S68 PolarHBondContact N-O 2.8Å; S68-L152 WeakPolarHBondContact CA-O 3.23Å | ||
| 69 | L | 95.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -61 | -57.6 | 168.5 | -81 | 170.6 | 0 | 0 | 0 | 109.9 | M1 F2 I13 I71 T151 L152 V154 | M1-L69 PolarHBondContact N-O 3.31Å; F2-L69 HydrophobicContact CD2-CD2 3.88Å; F2-L69 HydrophobicContact CE2-CD2 3.69Å; F2-L69 PolarHBondContact N-O 2.86Å; I13-L69 HydrophobicContact CG2-CD2 4.33Å; L69-I71 HydrophobicContact CB-CD1 4.09Å; L69-I71 HydrophobicContact CB-CG1 4.06Å; L69-I71 HydrophobicContact CD1-CD1 4.26Å; L69-I71 HydrophobicContact CD2-CD1 4.02Å; L69-I71 HydrophobicContact CG-CD1 4.35Å; L69-T151 WeakPolarHBondContact CB-O 3.47Å; L69-T151 HydrophobicContact CD1-CG2 4.14Å; L69-L152 PolarHBondContact N-O 2.85Å; L69-V154 HydrophobicContact CD1-CB 4.47Å; L69-V154 HydrophobicContact CD1-CG2 3.89Å | ||
| 70 | G | 95.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | 73.1 | 37.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112 | R3 Q7 E150 T151 | R3-G70 WeakPolarHBondContact CA-O 3.36Å; R3-G70 PolarHBondContact N-O 3.36Å; Q7-G70 PolarHBondContact NE2-O 2.91Å; G70-E150 WeakPolarHBondContact CA-OE2 3.49Å; G70-T151 PolarHBondContact N-O 2.82Å | ||
| 71 | I | 96.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -90.5 | 124.4 | -179 | -64.7 | 172.6 | 0 | 0 | 0 | 108.7 | F2 Q7 L11 I13 L69 L73 Y148 E150 T151 F167 | F2-I71 HydrophobicContact CB-CG1 4.1Å; F2-I71 HydrophobicContact CD2-CD1 4.01Å; F2-I71 HydrophobicContact CD2-CG1 3.94Å; F2-I71 HydrophobicContact CE2-CD1 4.48Å; F2-I71 HydrophobicContact CG-CG1 4.31Å; Q7-I71 VanDerWaalsContact OE1-CA 3.27Å; L11-I71 HydrophobicContact CD2-CB 4.44Å; L11-I71 HydrophobicContact CD2-CD1 3.68Å; L11-I71 HydrophobicContact CD2-CG1 3.6Å; L11-I71 HydrophobicContact CD2-CG2 4.09Å; I13-I71 HydrophobicContact CG2-CD1 3.81Å; L69-I71 HydrophobicContact CB-CD1 4.09Å; L69-I71 HydrophobicContact CB-CG1 4.06Å; L69-I71 HydrophobicContact CD1-CD1 4.26Å; L69-I71 HydrophobicContact CD2-CD1 4.02Å; L69-I71 HydrophobicContact CG-CD1 4.35Å; I71-L73 HydrophobicContact CG2-CB 3.89Å; I71-L73 HydrophobicContact CG2-CD1 4.49Å; I71-L73 HydrophobicContact CG2-CG 4.31Å; I71-Y148 PolarHBondContact O-OH 2.91Å; I71-E150 CarbonylContact O-C 3.5Å; I71-E150 WeakPolarHBondContact O-CA 3.45Å; I71-E150 WeakPolarHBondContact O-CB 3.46Å; I71-T151 PolarHBondContact N-O 2.84Å; I71-T151 PolarHBondContact O-N 3.26Å; I71-F167 HydrophobicContact CD1-CD2 3.59Å; I71-F167 HydrophobicContact CD1-CE2 3.51Å; I71-F167 HydrophobicContact CD1-CG 4.28Å; I71-F167 HydrophobicContact CD1-CZ 4.12Å; I71-F167 HydrophobicContact CG2-CB 3.95Å; I71-F167 HydrophobicContact CG2-CD1 3.66Å; I71-F167 HydrophobicContact CG2-CD2 4.07Å; I71-F167 HydrophobicContact CG2-CE1 4.12Å; I71-F167 HydrophobicContact CG2-CG 3.64Å |
| 72 | K | 96.3 | Very high | 95.7 | Very high | 126 Ų | 126 | 40.7 Ų | 40.7 | 55% | 0.548 | 20% | 0.201 | S | C | . | . | trans | -96.8 | -8.8 | -179 | -60.1 | 179.2 | -178.8 | 176.2 | 0 | 113.1 | E150 | K72-E150 HydrophobicContact CG-CB 4.46Š| ||
| 73 | L | 96.3 | Very high | 95.6 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | trans | -63.4 | 135.4 | 176.6 | -64.5 | 173.5 | 0 | 0 | 0 | 110.3 | Q7 L11 I71 Y148 F167 D169 | Q7-L73 HydrophobicContact CB-CD1 4.41Å; Q7-L73 HydrophobicContact CB-CD2 4.35Å; Q7-L73 HydrophobicContact CB-CG 4.16Å; L11-L73 HydrophobicContact CB-CD1 3.63Å; L11-L73 HydrophobicContact CD2-CD1 4.48Å; I71-L73 HydrophobicContact CG2-CB 3.89Å; I71-L73 HydrophobicContact CG2-CD1 4.49Å; I71-L73 HydrophobicContact CG2-CG 4.31Å; L73-Y148 PolarHBondContact O-OH 2.78Å; L73-F167 HydrophobicContact CB-CB 3.73Å; L73-F167 HydrophobicContact CD1-CB 3.76Å; L73-F167 HydrophobicContact CG-CB 4.4Å; L73-D169 HydrophobicContact CD2-CB 3.9Å | ||
| 74 | P | 96.6 | Very high | 95.5 | Very high | 26 Ų | 26 | 47.6 Ų | 47.6 | 17% | 0.169 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -80 | -27.6 | -169.6 | 29.7 | -36.9 | 0 | 0 | 0 | 114.8 | L136 C137 C168 D169 | P74-L136 WeakPolarHBondContact O-CB 3.42Å; P74-L136 PolarHBondContact O-N 3.36Å; P74-C137 HydrophobicContact CB-CB 4.35Å; P74-C137 WeakPolarHBondContact CB-SG 3.37Å; P74-C168 WeakPolarHBondContact CD-O 3.48Å; P74-D169 VanDerWaalsContact CG-O 3.31Å; P74-D169 WeakPolarHBondContact CG-O 3.39Å |
| 75 | F | 97.3 | Very high | 95.5 | Very high | 31 Ų | 31 | 48.3 Ų | 48.3 | 14% | 0.136 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 126.5 | -176.3 | -62 | -79.4 | 0 | 0 | 0 | 110.4 | F134 N135 F167 C168 D169 L171 | F75-F134 WeakPolarHBondContact CA-O 3.47Å; F75-N135 HydrophobicContact CD1-CB 3.94Å; F75-N135 HydrophobicContact CE1-CB 3.73Å; F75-N135 VanDerWaalsContact CE1-CG 3.5Å; F75-N135 WeakPolarHBondContact CE1-ND2 3.34Å; F75-F167 CarbonylContact O-C 3.57Å; F75-F167 WeakPolarHBondContact O-CA 3.17Å; F75-F167 WeakPolarHBondContact O-CB 3.2Å; F75-C168 PolarHBondContact N-O 3.16Å; F75-C168 PolarHBondContact O-N 3.06Å; F75-D169 WeakPolarHBondContact CE2-O 2.77Å; F75-L171 HydrophobicContact CB-CD2 4.19Å; F75-L171 HydrophobicContact CD1-CD1 4.27Å; F75-L171 HydrophobicContact CD1-CD2 3.57Å; F75-L171 HydrophobicContact CD1-CG 3.78Å; F75-L171 HydrophobicContact CD2-CG 4.48Å; F75-L171 HydrophobicContact CE1-CD1 3.93Å; F75-L171 HydrophobicContact CE1-CD2 4.05Å; F75-L171 HydrophobicContact CE1-CG 3.71Å; F75-L171 HydrophobicContact CE2-CG 4.48Å; F75-L171 HydrophobicContact CG-CD2 3.84Å; F75-L171 HydrophobicContact CG-CG 4.17Å; F75-L171 HydrophobicContact CZ-CG 4.1Å |
| 76 | L | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 123 | 164.8 | 167.1 | 65.4 | 0 | 0 | 0 | 108.3 | M78 V91 F134 L136 V165 F167 | L76-M78 HydrophobicContact CD1-CG 4.33Å; L76-M78 HydrophobicContact CD2-CE 4.12Å; L76-M78 HydrophobicContact CD2-SD 4.47Å; L76-M78 HydrophobicContact CG-CE 4.38Å; L76-M78 HydrophobicContact CG-CG 4.44Å; L76-V91 HydrophobicContact CD2-CG2 3.54Å; L76-F134 HydrophobicContact CB-CB 4.21Å; L76-F134 PolarHBondContact N-O 2.94Å; L76-F134 PolarHBondContact O-N 2.8Å; L76-L136 HydrophobicContact CB-CD1 4.23Å; L76-V165 HydrophobicContact CD1-CG1 3.66Å; L76-F167 HydrophobicContact CB-CD1 4.17Å; L76-F167 HydrophobicContact CB-CE1 3.88Å; L76-F167 HydrophobicContact CB-CZ 4.31Å; L76-F167 HydrophobicContact CD1-CD2 4.28Å; L76-F167 HydrophobicContact CD1-CE1 4.18Å; L76-F167 HydrophobicContact CD1-CE2 3.83Å; L76-F167 HydrophobicContact CD1-CZ 3.78Å; L76-F167 HydrophobicContact CG-CZ 4.47Å |
| 77 | V | 97 | Very high | 95.9 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 131.6 | 177.2 | -174.1 | 0 | 0 | 0 | 0 | 110.2 | Q131 I132 Q133 V165 Y166 | V77-Q131 HydrophobicContact CG1-CG 3.82Å; V77-I132 CarbonylContact C-O 3.5Å; V77-I132 VanDerWaalsContact CA-O 3.26Å; V77-I132 WeakPolarHBondContact CA-O 3.3Å; V77-Q133 HydrophobicContact CG1-CG 4.45Å; V77-Q133 HydrophobicContact CG2-CG 4.37Å; V77-V165 WeakPolarHBondContact O-CA 3.46Å; V77-Y166 HydrophobicContact CB-CD1 4.24Å; V77-Y166 HydrophobicContact CB-CD2 4.16Å; V77-Y166 HydrophobicContact CB-CE1 3.81Å; V77-Y166 HydrophobicContact CB-CE2 3.7Å; V77-Y166 HydrophobicContact CB-CG 4.43Å; V77-Y166 HydrophobicContact CG1-CE1 3.7Å; V77-Y166 HydrophobicContact CG1-CE2 4.21Å; V77-Y166 WeakPolarHBondContact CG1-OH 3.32Å; V77-Y166 HydrophobicContact CG2-CE2 3.92Å; V77-Y166 PolarHBondContact N-O 2.83Å; V77-Y166 PolarHBondContact O-N 3.43Å |
| 78 | M | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 126.1 | 177.8 | -67.2 | 176 | -73.6 | 0 | 0 | 110 | L76 I80 F89 I132 I156 V165 | L76-M78 HydrophobicContact CD1-CG 4.33Å; L76-M78 HydrophobicContact CD2-CE 4.12Å; L76-M78 HydrophobicContact CD2-SD 4.47Å; L76-M78 HydrophobicContact CG-CE 4.38Å; L76-M78 HydrophobicContact CG-CG 4.44Å; M78-I80 HydrophobicContact CB-CG2 4.14Å; M78-F89 HydrophobicContact CE-CD1 3.5Å; M78-F89 VanDerWaalsContact CE-CD1 3.5Å; M78-F89 HydrophobicContact CE-CD2 3.84Å; M78-F89 HydrophobicContact CE-CE1 3.4Å; M78-F89 HydrophobicContact CE-CE2 3.79Å; M78-F89 HydrophobicContact CE-CG 3.71Å; M78-F89 HydrophobicContact CE-CZ 3.57Å; M78-F89 HydrophobicContact SD-CD1 4.38Å; M78-F89 HydrophobicContact SD-CG 4.29Å; M78-I132 HydrophobicContact CB-CB 4.29Å; M78-I132 HydrophobicContact CE-CB 4.29Å; M78-I132 HydrophobicContact CE-CD1 4.3Å; M78-I132 HydrophobicContact CE-CG2 3.98Å; M78-I132 PolarHBondContact N-O 2.83Å; M78-I132 PolarHBondContact O-N 2.81Å; M78-I156 HydrophobicContact SD-CD1 3.97Å; M78-I156 HydrophobicContact SD-CG1 4.36Å; M78-V165 HydrophobicContact CG-CB 4.36Å; M78-V165 HydrophobicContact CG-CG1 3.79Å; M78-V165 HydrophobicContact CG-CG2 4.04Å |
| 79 | I | 96.4 | Very high | 96.2 | Very high | 11 Ų | 11 | 32.7 Ų | 32.7 | 6% | 0.056 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 105.1 | 172.1 | -55.2 | 177.8 | 0 | 0 | 0 | 106.9 | W129 N130 R163 R164 Y166 L183 | I79-W129 HydrophobicContact CG2-CE3 3.84Å; I79-W129 HydrophobicContact CG2-CZ3 4.14Å; I79-N130 WeakPolarHBondContact CA-O 3.38Å; I79-R163 HydrophobicContact CB-CB 4.19Å; I79-R163 HydrophobicContact CG2-CB 3.92Å; I79-R163 HydrophobicContact CG2-CG 4.43Å; I79-R163 PolarHBondContact O-N 3.11Å; I79-R164 HydrophobicContact CB-CB 4.44Å; I79-R164 HydrophobicContact CD1-CB 4.21Å; I79-R164 HydrophobicContact CG1-CB 4.47Å; I79-R164 PolarHBondContact N-O 3.02Å; I79-Y166 HydrophobicContact CD1-CE1 4.44Å; I79-L183 HydrophobicContact CG2-CD1 4.4Å; I79-L183 HydrophobicContact CG2-CD2 4.35Å |
| 80 | I | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146.7 | -175.4 | 68.1 | 165.9 | 0 | 0 | 0 | 111.9 | M78 F87 L125 W129 N130 I132 C160 R161 I162 | M78-I80 HydrophobicContact CB-CG2 4.14Å; I80-F87 HydrophobicContact CD1-CD1 3.99Å; I80-F87 HydrophobicContact CD1-CE1 3.41Å; I80-F87 VanDerWaalsContact CD1-CE1 3.41Å; I80-F87 HydrophobicContact CD1-CE2 4.11Å; I80-F87 HydrophobicContact CD1-CZ 3.48Å; I80-F87 VanDerWaalsContact CD1-CZ 3.48Å; I80-L125 HydrophobicContact CD1-CD1 4.11Å; I80-L125 HydrophobicContact CD1-CD2 4.23Å; I80-W129 VanDerWaalsContact C-CE3 3.42Å; I80-N130 HydrophobicContact CG1-CB 4.48Å; I80-N130 PolarHBondContact N-O 2.65Å; I80-N130 PolarHBondContact O-N 2.87Å; I80-I132 HydrophobicContact CD1-CD1 3.44Å; I80-I132 VanDerWaalsContact CD1-CD1 3.44Å; I80-I132 HydrophobicContact CD1-CG1 4.41Å; I80-I132 HydrophobicContact CG1-CD1 3.88Å; I80-I132 HydrophobicContact CG1-CG1 4.38Å; I80-C160 HydrophobicContact CD1-CB 4.5Å; I80-R161 CarbonylContact C-O 3.47Å; I80-R161 WeakPolarHBondContact CA-O 3.34Å; I80-I162 HydrophobicContact CG2-CG1 4.26Å; I80-I162 HydrophobicContact CG2-CG2 4.35Å |
| 81 | K | 97.4 | Very high | 96.5 | Very high | 20 Ų | 20 | 33.7 Ų | 33.7 | 9% | 0.087 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 126.8 | 169.1 | -169.9 | 167.6 | 168.3 | 169.1 | 0 | 109.8 | D39 D41 L83 G128 W129 R161 | D39-K81 IonicContact OD1-NZ 2.71Å; D39-K81 PolarHBondContact OD1-NZ 2.77Å; D39-K81 VanDerWaalsContact OD1-NZ 3.14Å; D39-K81 WeakPolarHBondContact OD2-CD 3.37Å; D39-K81 IonicContact OD2-NZ 2.97Å; D39-K81 PolarHBondContact OD2-NZ 2.83Å; D41-K81 IonicContact OD1-NZ 3.04Å; D41-K81 PolarHBondContact OD1-NZ 2.92Å; D41-K81 WeakPolarHBondContact OD2-CE 3.12Å; D41-K81 IonicContact OD2-NZ 2.86Å; D41-K81 PolarHBondContact OD2-NZ 2.9Å; K81-L83 HydrophobicContact CG-CD2 4.42Å; K81-G128 CarbonylContact C-O 3.57Å; K81-G128 WeakPolarHBondContact CA-O 3.07Å; K81-W129 HydrophobicContact CB-CD2 3.86Å; K81-W129 HydrophobicContact CB-CE3 3.95Å; K81-W129 HydrophobicContact CB-CG 4.44Å; K81-W129 HydrophobicContact CB-CH2 4.04Å; K81-W129 HydrophobicContact CB-CZ2 3.96Å; K81-W129 HydrophobicContact CB-CZ3 4.04Å; K81-W129 HydrophobicContact CD-CZ2 4.15Å; K81-W129 HydrophobicContact CG-CD2 4.43Å; K81-R161 HydrophobicContact CB-CB 3.99Å; K81-R161 PolarHBondContact N-O 2.75Å; K81-R161 PolarHBondContact O-N 2.88Å |
| 82 | N | 95.4 | Very high | 96.6 | Very high | 22 Ų | 22 | 35.6 Ų | 35.6 | 12% | 0.118 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 123 | 171.6 | -178.2 | 11.1 | 0 | 0 | 0 | 109.7 | K84 L125 D126 G128 | N82-K84 VanDerWaalsContact C-N 3.33Å; N82-K84 PolarHBondContact OD1-N 3.38Å; N82-L125 HydrophobicContact CB-CB 3.98Å; N82-L125 HydrophobicContact CB-CD1 4.44Å; N82-L125 PolarHBondContact ND2-O 2.99Å; N82-L125 VanDerWaalsContact ND2-O 3.11Å; N82-D126 WeakPolarHBondContact CB-O 3.42Å; N82-D126 PolarHBondContact ND2-O 3.47Å; N82-G128 PolarHBondContact N-O 2.83Å |
| 83 | L | 95.1 | Very high | 96.7 | Very high | 36 Ų | 36 | 29.6 Ų | 29.6 | 19% | 0.188 | 13% | 0.134 | C | C | . | . | trans | -95.7 | 18.4 | 178.9 | -59.5 | -177.6 | 0 | 0 | 0 | 112.9 | M50 K81 K85 R161 | M50-L83 HydrophobicContact CG-CD1 4.48Å; M50-L83 HydrophobicContact SD-CD1 3.41Å; M50-L83 WeakPolarHBondContact SD-CD1 3.25Å; K81-L83 HydrophobicContact CG-CD2 4.42Å; L83-K85 PolarHBondContact O-N 3.38Å; L83-R161 HydrophobicContact CD1-CG 4.28Å; L83-R161 HydrophobicContact CD2-CG 4.11Å | ||
| 84 | K | 92.8 | Very high | 96.8 | Very high | 142 Ų | 142 | 30.8 Ų | 30.8 | 62% | 0.617 | 14% | 0.14 | S | C | * | . | S | Bend | trans | 54.2 | 35.9 | -175.2 | -56.8 | -176.4 | -179.6 | -177.7 | 0 | 112.3 | N82 E127 | N82-K84 VanDerWaalsContact C-N 3.33Å; N82-K84 PolarHBondContact OD1-N 3.38Å; K84-E127 WeakPolarHBondContact CE-OE1 3.31Å; K84-E127 WeakPolarHBondContact CE-OE2 3.48Å; K84-E127 IonicContact NZ-OE1 2.94Å; K84-E127 PolarHBondContact NZ-OE1 3.38Å; K84-E127 IonicContact NZ-OE2 3.64Å; K84-E127 PolarHBondContact NZ-OE2 2.99Å |
| 85 | K | 94.2 | Very high | 96.8 | Very high | 101 Ų | 101 | 29.6 Ų | 29.6 | 44% | 0.439 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -132.4 | 166 | -178.9 | -76.4 | -174.5 | 179.9 | -167.1 | 0 | 110.1 | M50 L83 F87 N107 N159 | M50-K85 HydrophobicContact CE-CD 4.24Å; L83-K85 PolarHBondContact O-N 3.38Å; K85-F87 PolarHBondContact O-N 3.47Å; K85-N107 PolarHBondContact O-ND2 3.34Å; K85-N159 HydrophobicContact CB-CB 3.62Å; K85-N159 HydrophobicContact CD-CB 3.96Å; K85-N159 HydrophobicContact CG-CB 4.42Å |
| 86 | Y | 95.5 | Very high | 96.8 | Very high | 158 Ų | 158 | 31.6 Ų | 31.6 | 62% | 0.62 | 14% | 0.144 | S | C | * | . | trans | -60.1 | 134.7 | 173.8 | -63.4 | -32.6 | 0 | 0 | 0 | 111.1 | V54 N107 Y108 A158 N159 | V54-Y86 VanDerWaalsContact CG2-CB 3.5Å; V54-Y86 WeakPolarHBondContact CG2-O 3.37Å; Y86-N107 WeakPolarHBondContact CA-OD1 3.12Å; Y86-Y108 AromaticContact CD1-CD1 3.95Å; Y86-Y108 HydrophobicContact CD1-CD1 3.95Å; Y86-Y108 HydrophobicContact CD1-CG 4.29Å; Y86-Y108 AromaticContact CG-CD1 3.89Å; Y86-Y108 HydrophobicContact CG-CD1 3.89Å; Y86-Y108 HydrophobicContact CG-CG 4.49Å; Y86-A158 CarbonylContact O-C 3.5Å; Y86-A158 VanDerWaalsContact O-O 3.13Å; Y86-N159 PolarHBondContact O-N 2.71Å; Y86-N159 PolarHBondContact O-ND2 2.88Å | ||
| 87 | F | 96 | Very high | 96.8 | Very high | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | trans | -141 | 148.3 | -176.7 | 170.8 | -102.5 | 0 | 0 | 0 | 110.1 | I80 K85 F89 S106 N107 M123 L125 I132 I156 H157 C160 | I80-F87 HydrophobicContact CD1-CD1 3.99Å; I80-F87 HydrophobicContact CD1-CE1 3.41Å; I80-F87 VanDerWaalsContact CD1-CE1 3.41Å; I80-F87 HydrophobicContact CD1-CE2 4.11Å; I80-F87 HydrophobicContact CD1-CZ 3.48Å; I80-F87 VanDerWaalsContact CD1-CZ 3.48Å; K85-F87 PolarHBondContact O-N 3.47Å; F87-F89 AromaticContact CE1-CD1 3.93Å; F87-F89 HydrophobicContact CE1-CD1 3.93Å; F87-F89 HydrophobicContact CZ-CB 4.33Å; F87-F89 HydrophobicContact CZ-CD1 4.23Å; F87-S106 WeakPolarHBondContact O-CA 3.44Å; F87-S106 WeakPolarHBondContact O-CB 3.44Å; F87-N107 PolarHBondContact N-OD1 2.61Å; F87-N107 PolarHBondContact O-N 2.98Å; F87-N107 PolarHBondContact O-OD1 3.04Å; F87-M123 HydrophobicContact CD1-CE 4.48Å; F87-M123 HydrophobicContact CD1-SD 3.72Å; F87-M123 HydrophobicContact CE1-CE 4.27Å; F87-M123 HydrophobicContact CE1-SD 3.8Å; F87-L125 HydrophobicContact CB-CD1 4.32Å; F87-L125 HydrophobicContact CD1-CD1 3.67Å; F87-L125 HydrophobicContact CE1-CD1 4.38Å; F87-L125 HydrophobicContact CG-CD1 4.23Å; F87-I132 HydrophobicContact CE1-CD1 4.18Å; F87-I156 HydrophobicContact CE2-CG2 3.69Å; F87-I156 HydrophobicContact CZ-CG2 4.03Å; F87-H157 VanDerWaalsContact CD2-O 3.32Å; F87-H157 WeakPolarHBondContact CD2-O 3.41Å; F87-H157 WeakPolarHBondContact CE2-O 3.46Å; F87-C160 HydrophobicContact CD2-CB 3.64Å; F87-C160 HydrophobicContact CE2-CB 3.75Å; F87-C160 WeakPolarHBondContact CE2-SG 3.26Å | ||
| 88 | T | 97 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 147.6 | 179.1 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | R104 A105 S106 Y108 H157 | T88-R104 HydrophobicContact CG2-CG 3.74Å; T88-A105 VanDerWaalsContact CA-O 3.3Å; T88-A105 WeakPolarHBondContact CA-O 3.36Å; T88-A105 WeakPolarHBondContact CG2-O 3.29Å; T88-S106 VanDerWaalsContact OG1-CB 3.24Å; T88-S106 WeakPolarHBondContact OG1-CB 3.28Å; T88-Y108 WeakPolarHBondContact OG1-CE1 3.24Å; T88-Y108 VanDerWaalsContact OG1-CZ 3.26Å; T88-Y108 PolarHBondContact OG1-OH 3.31Å; T88-H157 VanDerWaalsContact O-CB 3.29Å; T88-H157 WeakPolarHBondContact O-CB 3.31Å; T88-H157 PolarHBondContact O-N 2.97Å |
| 89 | F | 97.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 155.7 | 161.4 | 71.3 | -98.3 | 0 | 0 | 0 | 110.6 | M78 F87 V91 R104 A105 M123 I132 F134 Q155 I156 | M78-F89 HydrophobicContact CE-CD1 3.5Å; M78-F89 VanDerWaalsContact CE-CD1 3.5Å; M78-F89 HydrophobicContact CE-CD2 3.84Å; M78-F89 HydrophobicContact CE-CE1 3.4Å; M78-F89 HydrophobicContact CE-CE2 3.79Å; M78-F89 HydrophobicContact CE-CG 3.71Å; M78-F89 HydrophobicContact CE-CZ 3.57Å; M78-F89 HydrophobicContact SD-CD1 4.38Å; M78-F89 HydrophobicContact SD-CG 4.29Å; F87-F89 AromaticContact CE1-CD1 3.93Å; F87-F89 HydrophobicContact CE1-CD1 3.93Å; F87-F89 HydrophobicContact CZ-CB 4.33Å; F87-F89 HydrophobicContact CZ-CD1 4.23Å; F89-V91 HydrophobicContact CD2-CG2 3.89Å; F89-V91 HydrophobicContact CE2-CG2 3.92Å; F89-R104 WeakPolarHBondContact O-CA 3.2Å; F89-A105 HydrophobicContact CD1-CB 4.31Å; F89-A105 HydrophobicContact CE1-CB 3.72Å; F89-A105 HydrophobicContact CE2-CB 4.09Å; F89-A105 HydrophobicContact CZ-CB 3.58Å; F89-A105 PolarHBondContact N-O 2.88Å; F89-A105 PolarHBondContact O-N 2.89Å; F89-M123 HydrophobicContact CD1-CE 3.45Å; F89-M123 VanDerWaalsContact CD1-CE 3.45Å; F89-M123 HydrophobicContact CE1-CE 3.15Å; F89-M123 HydrophobicContact CE1-SD 4.29Å; F89-M123 HydrophobicContact CZ-CE 4.12Å; F89-I132 HydrophobicContact CE1-CD1 4.2Å; F89-I132 HydrophobicContact CE1-CG2 4.09Å; F89-I132 HydrophobicContact CZ-CG2 4.34Å; F89-F134 HydrophobicContact CE2-CD2 4.1Å; F89-F134 HydrophobicContact CE2-CE2 4.24Å; F89-F134 HydrophobicContact CE2-CG 4.35Å; F89-F134 AromaticContact CZ-CD2 3.67Å; F89-F134 HydrophobicContact CZ-CD2 3.67Å; F89-F134 AromaticContact CZ-CE2 3.98Å; F89-F134 HydrophobicContact CZ-CE2 3.98Å; F89-F134 HydrophobicContact CZ-CG 4.23Å; F89-Q155 CarbonylContact C-O 3.58Å; F89-Q155 VanDerWaalsContact CA-O 3.25Å; F89-Q155 WeakPolarHBondContact CA-O 3.45Å; F89-Q155 WeakPolarHBondContact CB-O 3.26Å; F89-I156 HydrophobicContact CB-CG1 4.35Å |
| 90 | E | 97.9 | Very high | 97 | Very high | 21 Ų | 21 | 56.9 Ų | 56.9 | 10% | 0.098 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 139.2 | 177.3 | -51 | -171.6 | 176.8 | 0 | 0 | 110.3 | R102 F103 R104 V154 Q155 H157 | E90-R102 HydrophobicContact CB-CG 4.44Å; E90-R102 VanDerWaalsContact OE2-CD 3.22Å; E90-R102 WeakPolarHBondContact OE2-CD 3.29Å; E90-R102 IonicContact OE2-CZ 3.55Å; E90-R102 IonicContact OE2-NE 3.15Å; E90-R102 IonicContact OE2-NH1 3.67Å; E90-R102 PolarHBondContact OE2-NH1 3.35Å; E90-F103 CarbonylContact C-O 3.41Å; E90-F103 WeakPolarHBondContact CA-O 3.4Å; E90-R104 HydrophobicContact CG-CB 4.15Å; E90-R104 HydrophobicContact CG-CG 3.96Å; E90-R104 WeakPolarHBondContact OE1-CD 3.47Å; E90-R104 IonicContact OE1-NE 3.8Å; E90-R104 PolarHBondContact OE1-NE 3.31Å; E90-V154 CarbonylContact O-C 3.49Å; E90-V154 WeakPolarHBondContact O-CA 3.45Å; E90-Q155 HydrophobicContact CB-CB 4.2Å; E90-Q155 PolarHBondContact N-O 3.44Å; E90-Q155 PolarHBondContact O-N 2.81Å; E90-Q155 PolarHBondContact OE2-OE1 2.57Å; E90-H157 IonicContact OE1-NE2 3.28Å |
| 91 | V | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 119.2 | 174 | -168.9 | 0 | 0 | 0 | 0 | 108.6 | L76 F89 I93 R102 F103 L136 T151 R153 V154 | L76-V91 HydrophobicContact CD2-CG2 3.54Å; F89-V91 HydrophobicContact CD2-CG2 3.89Å; F89-V91 HydrophobicContact CE2-CG2 3.92Å; V91-I93 HydrophobicContact CG1-CG2 3.88Å; V91-R102 CarbonylContact O-C 3.6Å; V91-R102 WeakPolarHBondContact O-CA 3.43Å; V91-F103 PolarHBondContact N-O 2.96Å; V91-F103 PolarHBondContact O-N 3.24Å; V91-L136 HydrophobicContact CB-CD2 4.3Å; V91-L136 HydrophobicContact CG1-CD2 3.82Å; V91-T151 HydrophobicContact CG1-CG2 3.63Å; V91-R153 CarbonylContact C-O 3.54Å; V91-R153 WeakPolarHBondContact CA-O 3.46Å; V91-V154 HydrophobicContact CG1-CG2 4.38Å |
| 92 | L | 98.3 | Very high | 97.1 | Very high | 40 Ų | 40 | 61.8 Ų | 61.8 | 21% | 0.209 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 123 | 170.6 | -171.4 | 71.3 | 0 | 0 | 0 | 108.8 | R100 R101 R102 L152 R153 | L92-R100 HydrophobicContact CD1-CB 4.26Å; L92-R101 WeakPolarHBondContact CA-O 3.06Å; L92-R102 HydrophobicContact CD1-CB 4.18Å; L92-L152 HydrophobicContact CB-CB 4.38Å; L92-L152 HydrophobicContact CD2-CB 4.11Å; L92-L152 HydrophobicContact CD2-CD1 4.12Å; L92-L152 HydrophobicContact CG-CB 4.22Å; L92-L152 HydrophobicContact CG-CD1 4.21Å; L92-L152 WeakPolarHBondContact O-CA 3.3Å; L92-L152 WeakPolarHBondContact O-CB 3.47Å; L92-L152 PolarHBondContact O-N 3Å; L92-R153 HydrophobicContact CB-CB 3.97Å; L92-R153 HydrophobicContact CD2-CB 4.45Å; L92-R153 PolarHBondContact N-O 3.03Å; L92-R153 PolarHBondContact O-N 2.96Å |
| 93 | I | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 162.3 | 177.3 | 67.5 | 79.9 | 0 | 0 | 0 | 111.3 | V91 D95 R100 R101 F103 L136 T140 Y148 E150 | V91-I93 HydrophobicContact CG1-CG2 3.88Å; I93-D95 HydrophobicContact CD1-CB 4.3Å; I93-R100 WeakPolarHBondContact O-CA 3.48Å; I93-R101 HydrophobicContact CD1-CB 3.9Å; I93-R101 HydrophobicContact CD1-CG 4.31Å; I93-R101 HydrophobicContact CG1-CB 4.27Å; I93-R101 PolarHBondContact N-O 2.88Å; I93-R101 PolarHBondContact O-N 2.99Å; I93-F103 HydrophobicContact CG1-CD2 4.13Å; I93-F103 HydrophobicContact CG1-CE2 3.82Å; I93-L136 HydrophobicContact CG2-CD2 3.92Å; I93-T140 HydrophobicContact CD1-CG2 4.07Å; I93-Y148 HydrophobicContact CB-CD2 3.97Å; I93-Y148 HydrophobicContact CB-CE2 3.99Å; I93-Y148 HydrophobicContact CG1-CD2 4.48Å; I93-Y148 HydrophobicContact CG2-CD2 4Å; I93-Y148 HydrophobicContact CG2-CE2 3.71Å; I93-E150 CarbonylContact C-O 3.5Å; I93-E150 WeakPolarHBondContact CA-O 3.41Å |
| 94 | L | 98.2 | Very high | 97.3 | Very high | 34 Ų | 34 | 62.3 Ų | 62.3 | 18% | 0.178 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 133.9 | 165.4 | -172.7 | 67.3 | 0 | 0 | 0 | 108.6 | R100 V149 E150 L152 | L94-R100 HydrophobicContact CD1-CG 4.28Å; L94-V149 WeakPolarHBondContact O-CB 3.16Å; L94-V149 PolarHBondContact O-N 2.84Å; L94-E150 HydrophobicContact CB-CG 3.99Å; L94-E150 HydrophobicContact CD2-CG 4.23Å; L94-E150 PolarHBondContact N-O 2.82Å; L94-E150 PolarHBondContact O-N 3.48Å; L94-L152 HydrophobicContact CB-CD1 4.15Å; L94-L152 HydrophobicContact CB-CD2 4.23Å; L94-L152 HydrophobicContact CB-CG 4.22Å |
| 95 | D | 98 | Very high | 97.6 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 174.4 | 172.1 | 74.5 | 7.3 | 0 | 0 | 0 | 112.8 | I93 K97 K98 I99 R101 T140 T146 N147 V149 | I93-D95 HydrophobicContact CD1-CB 4.3Å; D95-K97 PolarHBondContact O-N 3.2Å; D95-K97 VanDerWaalsContact OD1-C 3.28Å; D95-K97 WeakPolarHBondContact OD1-CA 3.23Å; D95-K97 WeakPolarHBondContact OD1-CB 3.21Å; D95-K97 PolarHBondContact OD1-N 3.16Å; D95-K98 WeakPolarHBondContact O-CA 3.46Å; D95-K98 PolarHBondContact O-N 2.69Å; D95-K98 PolarHBondContact OD1-N 2.84Å; D95-I99 PolarHBondContact N-O 3.09Å; D95-I99 VanDerWaalsContact N-O 3.12Å; D95-I99 WeakPolarHBondContact OD1-CA 3.23Å; D95-I99 WeakPolarHBondContact OD1-CB 3.25Å; D95-I99 PolarHBondContact OD1-N 2.92Å; D95-R101 IonicContact OD2-CZ 3.73Å; D95-R101 IonicContact OD2-NE 2.76Å; D95-R101 PolarHBondContact OD2-NE 2.75Å; D95-R101 IonicContact OD2-NH2 3.58Å; D95-R101 PolarHBondContact OD2-NH2 2.93Å; D95-T140 HydrophobicContact CB-CG2 4.24Å; D95-T146 PolarHBondContact OD2-OG1 2.98Å; D95-N147 CarbonylContact C-O 3.56Å; D95-N147 WeakPolarHBondContact CA-O 3.4Å; D95-N147 WeakPolarHBondContact CB-O 3.36Å; D95-V149 VanDerWaalsContact C-CG2 3.41Å |
| 96 | D | 97.9 | Very high | 97.7 | Very high | 73 Ų | 73 | 50.9 Ų | 50.9 | 39% | 0.39 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -20 | 178 | 60 | -9 | 0 | 0 | 0 | 114 | K98 T146 N147 V149 | D96-K98 PolarHBondContact O-N 2.84Å; D96-T146 VanDerWaalsContact OD1-CB 3.25Å; D96-T146 WeakPolarHBondContact OD1-CB 3.3Å; D96-N147 HydrophobicContact CB-CB 4.19Å; D96-N147 VanDerWaalsContact CG-N 3.34Å; D96-N147 PolarHBondContact N-O 2.77Å; D96-N147 PolarHBondContact OD1-N 2.91Å; D96-N147 VanDerWaalsContact OD1-N 3.13Å; D96-N147 WeakPolarHBondContact OD2-CB 3.19Å; D96-N147 PolarHBondContact OD2-N 2.79Å; D96-N147 PolarHBondContact OD2-ND2 2.86Å; D96-V149 HydrophobicContact CB-CG2 4.2Å |
| 97 | K | 97.6 | Very high | 97.6 | Very high | 136 Ų | 136 | 45.6 Ų | 45.6 | 59% | 0.591 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 6.7 | 169.3 | -62.8 | -171.2 | 179.5 | 171.7 | 0 | 113 | D95 I99 T146 | D95-K97 PolarHBondContact O-N 3.2Å; D95-K97 VanDerWaalsContact OD1-C 3.28Å; D95-K97 WeakPolarHBondContact OD1-CA 3.23Å; D95-K97 WeakPolarHBondContact OD1-CB 3.21Å; D95-K97 PolarHBondContact OD1-N 3.16Å; K97-I99 HydrophobicContact CB-CD1 4.14Å; K97-I99 HydrophobicContact CB-CG1 4.13Å; K97-I99 PolarHBondContact O-N 3.07Å; K97-T146 HydrophobicContact CD-CG2 3.6Å; K97-T146 HydrophobicContact CG-CG2 3.88Å |
| 98 | K | 97.2 | Very high | 97.5 | Very high | 181 Ų | 181 | 49.2 Ų | 49.2 | 79% | 0.787 | 21% | 0.214 | S | C | * | . | S | Bend | trans | 60.5 | 24.8 | -177.2 | -56.3 | 178.7 | 178.9 | 175.2 | 0 | 113.2 | D95 D96 | D95-K98 WeakPolarHBondContact O-CA 3.46Å; D95-K98 PolarHBondContact O-N 2.69Å; D95-K98 PolarHBondContact OD1-N 2.84Å; D96-K98 PolarHBondContact O-N 2.84Å |
| 99 | I | 98 | Very high | 97.3 | Very high | 55 Ų | 55 | 51.2 Ų | 51.2 | 28% | 0.282 | 22% | 0.224 | S | C | . | . | trans | -93.8 | 133.8 | 177 | -58.6 | 178.6 | 0 | 0 | 0 | 108.9 | D95 K97 R101 F117 | D95-I99 PolarHBondContact N-O 3.09Å; D95-I99 VanDerWaalsContact N-O 3.12Å; D95-I99 WeakPolarHBondContact OD1-CA 3.23Å; D95-I99 WeakPolarHBondContact OD1-CB 3.25Å; D95-I99 PolarHBondContact OD1-N 2.92Å; K97-I99 HydrophobicContact CB-CD1 4.14Å; K97-I99 HydrophobicContact CB-CG1 4.13Å; K97-I99 PolarHBondContact O-N 3.07Å; I99-R101 HydrophobicContact CG2-CG 4.05Å; I99-F117 HydrophobicContact CG2-CD1 4.01Å; I99-F117 HydrophobicContact CG2-CE1 4.03Å | ||
| 100 | R | 98 | Very high | 97.1 | Very high | 173 Ų | 173 | 56 Ų | 56 | 65% | 0.653 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 123.9 | 172.8 | -62.7 | -176.9 | -177.1 | 170.4 | 1.8 | 109.3 | L92 I93 L94 L152 | L92-R100 HydrophobicContact CD1-CB 4.26Å; I93-R100 WeakPolarHBondContact O-CA 3.48Å; L94-R100 HydrophobicContact CD1-CG 4.28Å; R100-L152 HydrophobicContact CG-CD1 3.86Å |
| 101 | R | 98.1 | Very high | 97 | Very high | 19 Ų | 19 | 58.2 Ų | 58.2 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 140.3 | -179.2 | -51.7 | -168 | -171.6 | -96.6 | 4 | 110.5 | L92 I93 D95 I99 P116 Y144 | L92-R101 WeakPolarHBondContact CA-O 3.06Å; I93-R101 HydrophobicContact CD1-CB 3.9Å; I93-R101 HydrophobicContact CD1-CG 4.31Å; I93-R101 HydrophobicContact CG1-CB 4.27Å; I93-R101 PolarHBondContact N-O 2.88Å; I93-R101 PolarHBondContact O-N 2.99Å; D95-R101 IonicContact OD2-CZ 3.73Å; D95-R101 IonicContact OD2-NE 2.76Å; D95-R101 PolarHBondContact OD2-NE 2.75Å; D95-R101 IonicContact OD2-NH2 3.58Å; D95-R101 PolarHBondContact OD2-NH2 2.93Å; I99-R101 HydrophobicContact CG2-CG 4.05Å; R101-P116 PolarHBondContact NH1-O 3.1Å; R101-Y144 HydrophobicContact CB-CE2 3.95Å; R101-Y144 HydrophobicContact CG-CD2 4.41Å; R101-Y144 HydrophobicContact CG-CE2 4.22Å |
| 102 | R | 98.4 | Very high | 96.9 | Very high | 104 Ų | 104 | 62.2 Ų | 62.2 | 39% | 0.392 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.5 | -178.6 | -169.1 | -176.1 | -59.2 | -159.8 | 6.5 | 110.4 | E90 V91 L92 F117 I118 C119 | E90-R102 HydrophobicContact CB-CG 4.44Å; E90-R102 VanDerWaalsContact OE2-CD 3.22Å; E90-R102 WeakPolarHBondContact OE2-CD 3.29Å; E90-R102 IonicContact OE2-CZ 3.55Å; E90-R102 IonicContact OE2-NE 3.15Å; E90-R102 IonicContact OE2-NH1 3.67Å; E90-R102 PolarHBondContact OE2-NH1 3.35Å; V91-R102 CarbonylContact O-C 3.6Å; V91-R102 WeakPolarHBondContact O-CA 3.43Å; L92-R102 HydrophobicContact CD1-CB 4.18Å; R102-F117 PolarHBondContact N-O 2.94Å; R102-I118 HydrophobicContact CB-CB 4.37Å; R102-I118 HydrophobicContact CB-CG1 4.18Å; R102-I118 CarbonylContact O-C 3.57Å; R102-I118 VanDerWaalsContact O-CA 3.24Å; R102-I118 WeakPolarHBondContact O-CA 3.2Å; R102-C119 PolarHBondContact O-N 3.43Å |
| 103 | F | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 130.5 | 164.9 | -70.5 | -73.8 | 0 | 0 | 0 | 108.9 | E90 V91 I93 C119 M121 F134 F139 A143 Y144 | E90-F103 CarbonylContact C-O 3.41Å; E90-F103 WeakPolarHBondContact CA-O 3.4Å; V91-F103 PolarHBondContact N-O 2.96Å; V91-F103 PolarHBondContact O-N 3.24Å; I93-F103 HydrophobicContact CG1-CD2 4.13Å; I93-F103 HydrophobicContact CG1-CE2 3.82Å; F103-C119 CarbonylContact C-O 3.51Å; F103-C119 WeakPolarHBondContact CA-O 3.49Å; F103-C119 HydrophobicContact CD1-CB 3.6Å; F103-C119 HydrophobicContact CE1-CB 3.61Å; F103-M121 HydrophobicContact CD1-CE 3.48Å; F103-M121 VanDerWaalsContact CD1-CE 3.48Å; F103-M121 HydrophobicContact CE1-CE 4.12Å; F103-M121 HydrophobicContact CG-CE 4.41Å; F103-F134 HydrophobicContact CB-CE1 4.06Å; F103-F134 HydrophobicContact CB-CZ 3.91Å; F103-F134 HydrophobicContact CD1-CZ 4.36Å; F103-F134 HydrophobicContact CD2-CE1 4.48Å; F103-F134 HydrophobicContact CG-CE1 4.15Å; F103-F134 HydrophobicContact CG-CZ 4.15Å; F103-F139 HydrophobicContact CD1-CB 4.41Å; F103-F139 HydrophobicContact CE1-CB 3.89Å; F103-F139 HydrophobicContact CZ-CB 3.96Å; F103-A143 HydrophobicContact CE1-CB 4.08Å; F103-A143 HydrophobicContact CZ-CB 4.37Å; F103-Y144 HydrophobicContact CE1-CE2 4.06Å; F103-Y144 HydrophobicContact CE2-CE2 4.48Å; F103-Y144 HydrophobicContact CZ-CD2 4.12Å; F103-Y144 AromaticContact CZ-CE2 3.74Å; F103-Y144 HydrophobicContact CZ-CE2 3.74Å |
| 104 | R | 98 | Very high | 96.8 | Very high | 68 Ų | 68 | 71.2 Ų | 71.2 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 117 | 174.3 | 177.4 | 174.3 | -171.4 | -142.5 | -0.2 | 108.1 | T88 F89 E90 Y108 C119 T120 M121 | T88-R104 HydrophobicContact CG2-CG 3.74Å; F89-R104 WeakPolarHBondContact O-CA 3.2Å; E90-R104 HydrophobicContact CG-CB 4.15Å; E90-R104 HydrophobicContact CG-CG 3.96Å; E90-R104 WeakPolarHBondContact OE1-CD 3.47Å; E90-R104 IonicContact OE1-NE 3.8Å; E90-R104 PolarHBondContact OE1-NE 3.31Å; R104-Y108 PolarHBondContact NH2-OH 3.01Å; R104-C119 PolarHBondContact N-O 3.2Å; R104-T120 HydrophobicContact CB-CG2 4.29Å; R104-T120 CarbonylContact O-C 3.57Å; R104-T120 VanDerWaalsContact O-CA 3.25Å; R104-T120 WeakPolarHBondContact O-CA 3.43Å; R104-M121 PolarHBondContact O-N 2.88Å |
| 105 | A | 97.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 76.2 Ų | 76.2 | 3% | 0.025 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 135.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | T88 F89 M121 M123 F134 | T88-A105 VanDerWaalsContact CA-O 3.3Å; T88-A105 WeakPolarHBondContact CA-O 3.36Å; T88-A105 WeakPolarHBondContact CG2-O 3.29Å; F89-A105 HydrophobicContact CD1-CB 4.31Å; F89-A105 HydrophobicContact CE1-CB 3.72Å; F89-A105 HydrophobicContact CE2-CB 4.09Å; F89-A105 HydrophobicContact CZ-CB 3.58Å; F89-A105 PolarHBondContact N-O 2.88Å; F89-A105 PolarHBondContact O-N 2.89Å; A105-M121 WeakPolarHBondContact CA-O 3.45Å; A105-M121 HydrophobicContact CB-CG 3.71Å; A105-M121 HydrophobicContact CB-SD 4.41Å; A105-M123 HydrophobicContact CB-CE 3.17Å; A105-M123 WeakPolarHBondContact O-CE 3.49Å; A105-F134 HydrophobicContact CB-CE2 4.48Å |
| 106 | S | 96.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 80.5 Ų | 80.5 | 1% | 0.007 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 152.6 | -178.1 | 52.9 | 0 | 0 | 0 | 0 | 112.3 | F87 T88 Y108 Q109 M121 M123 | F87-S106 WeakPolarHBondContact O-CA 3.44Å; F87-S106 WeakPolarHBondContact O-CB 3.44Å; T88-S106 VanDerWaalsContact OG1-CB 3.24Å; T88-S106 WeakPolarHBondContact OG1-CB 3.28Å; S106-Y108 VanDerWaalsContact CB-CZ 3.49Å; S106-Q109 WeakPolarHBondContact OG-CB 3.43Å; S106-M121 PolarHBondContact N-O 2.96Å; S106-M121 VanDerWaalsContact N-O 3.15Å; S106-M123 PolarHBondContact O-N 2.94Å |
| 107 | N | 94.9 | Very high | 96.6 | Very high | 46 Ų | 46 | 83.8 Ų | 83.8 | 25% | 0.246 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -3.8 | -178.4 | 67.3 | -9.4 | 0 | 0 | 0 | 115.1 | K85 Y86 F87 M123 | K85-N107 PolarHBondContact O-ND2 3.34Å; Y86-N107 WeakPolarHBondContact CA-OD1 3.12Å; F87-N107 PolarHBondContact N-OD1 2.61Å; F87-N107 PolarHBondContact O-N 2.98Å; F87-N107 PolarHBondContact O-OD1 3.04Å; N107-M123 WeakPolarHBondContact CA-O 3.25Å; N107-M123 HydrophobicContact CB-CG 4.15Å |
| 108 | Y | 93.2 | Very high | 96.6 | Very high | 78 Ų | 78 | 79.7 Ų | 79.7 | 31% | 0.306 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -7.9 | 173.6 | 52.6 | -97.3 | 0 | 0 | 0 | 113.3 | V54 Y86 T88 R104 S106 | V54-Y108 HydrophobicContact CG1-CE1 4.44Å; Y86-Y108 AromaticContact CD1-CD1 3.95Å; Y86-Y108 HydrophobicContact CD1-CD1 3.95Å; Y86-Y108 HydrophobicContact CD1-CG 4.29Å; Y86-Y108 AromaticContact CG-CD1 3.89Å; Y86-Y108 HydrophobicContact CG-CD1 3.89Å; Y86-Y108 HydrophobicContact CG-CG 4.49Å; T88-Y108 WeakPolarHBondContact OG1-CE1 3.24Å; T88-Y108 VanDerWaalsContact OG1-CZ 3.26Å; T88-Y108 PolarHBondContact OG1-OH 3.31Å; R104-Y108 PolarHBondContact NH2-OH 3.01Å; S106-Y108 VanDerWaalsContact CB-CZ 3.49Å |
| 109 | Q | 92.4 | Very high | 96.7 | Very high | 41 Ų | 41 | 71.2 Ų | 71.2 | 19% | 0.192 | 34% | 0.343 | C | S | . | . | trans | -76.5 | 134.9 | 173.7 | -174.9 | 70.4 | 29.6 | 0 | 0 | 108.4 | S106 T111 P122 | S106-Q109 WeakPolarHBondContact OG-CB 3.43Å; Q109-T111 VanDerWaalsContact CG-O 3.3Å; Q109-T111 WeakPolarHBondContact CG-O 3.36Å; Q109-T111 PolarHBondContact NE2-O 2.87Å; Q109-P122 WeakPolarHBondContact O-CB 3.48Å | ||
| 110 | S | 93.4 | Very high | 96.7 | Very high | 101 Ų | 101 | 69.5 Ų | 69.5 | 71% | 0.706 | 34% | 0.335 | S | S | * | . | trans | -94.8 | -35.7 | 179.8 | 52.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 111 | T | 95.6 | Very high | 96.6 | Very high | 68 Ų | 68 | 61.8 Ų | 61.8 | 42% | 0.417 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -130.8 | 147.3 | -173.9 | 57.7 | 0 | 0 | 0 | 0 | 112.2 | Q109 | Q109-T111 VanDerWaalsContact CG-O 3.3Å; Q109-T111 WeakPolarHBondContact CG-O 3.36Å; Q109-T111 PolarHBondContact NE2-O 2.87Å |
| 112 | T | 96.7 | Very high | 96.6 | Very high | 85 Ų | 85 | 63.5 Ų | 63.5 | 52% | 0.521 | 32% | 0.32 | S | S | . | . | trans | -69.8 | 133.4 | 171.3 | -59.5 | 0 | 0 | 0 | 0 | 109.7 | V114 T120 M121 P122 | T112-V114 HydrophobicContact CG2-CG2 4.3Å; T112-T120 CarbonylContact C-O 3.56Å; T112-T120 VanDerWaalsContact CA-O 3.25Å; T112-T120 WeakPolarHBondContact CA-O 3.33Å; T112-M121 HydrophobicContact CG2-CB 4.4Å; T112-P122 WeakPolarHBondContact OG1-CD 3.33Å | ||
| 113 | R | 97.3 | Very high | 96.4 | Very high | 154 Ų | 154 | 60.1 Ų | 60.1 | 58% | 0.581 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 125.7 | 173.9 | -56.5 | 178.9 | 179.5 | -110 | 4.9 | 109.2 | C119 T120 | R113-C119 CarbonylContact O-C 3.55Å; R113-C119 WeakPolarHBondContact O-CA 3.3Å; R113-T120 WeakPolarHBondContact CB-OG1 3.31Å; R113-T120 PolarHBondContact N-O 2.86Å; R113-T120 PolarHBondContact O-N 2.79Å |
| 114 | V | 97.5 | Very high | 96.1 | Very high | 75 Ų | 75 | 70.6 Ų | 70.6 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 118 | 179.5 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | T112 A143 Y144 | T112-V114 HydrophobicContact CG2-CG2 4.3Å; V114-A143 HydrophobicContact CG1-CB 4.21Å; V114-A143 WeakPolarHBondContact CG1-O 3.37Å; V114-A143 HydrophobicContact CG2-CB 4.26Å; V114-Y144 HydrophobicContact CG1-CD1 4.26Å; V114-Y144 HydrophobicContact CG1-CE1 3.73Å |
| 115 | K | 97.3 | Very high | 95.9 | Very high | 139 Ų | 139 | 68.3 Ų | 68.3 | 60% | 0.604 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 161.5 | 168.2 | -67.9 | -174.8 | 176.8 | -174.7 | 0 | 108.7 | F117 I118 Y144 | K115-F117 PolarHBondContact O-N 2.96Å; K115-I118 WeakPolarHBondContact CA-O 3.46Å; K115-I118 HydrophobicContact CB-CG2 3.86Å; K115-I118 WeakPolarHBondContact CB-O 3.25Å; K115-I118 HydrophobicContact CD-CG2 4.19Å; K115-I118 HydrophobicContact CG-CG2 4.47Å; K115-I118 PolarHBondContact N-O 3.07Å; K115-I118 PolarHBondContact O-N 3.08Å; K115-Y144 VanDerWaalsContact O-CE1 3.28Å; K115-Y144 WeakPolarHBondContact O-CE1 3.4Å; K115-Y144 PolarHBondContact O-OH 2.81Å; K115-Y144 VanDerWaalsContact O-OH 3.12Å |
| 116 | P | 95.7 | Very high | 95.7 | Very high | 90 Ų | 90 | 73 Ų | 73 | 58% | 0.584 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | -39.1 | -175.1 | -31.4 | 36.5 | 0 | 0 | 0 | 114.9 | R101 Y144 | R101-P116 PolarHBondContact NH1-O 3.1Å; P116-Y144 WeakPolarHBondContact O-CE1 3.33Å |
| 117 | F | 97.6 | Very high | 95.5 | Very high | 142 Ų | 142 | 79.8 Ų | 79.8 | 62% | 0.623 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | -5.5 | -176.3 | -52.3 | -65.8 | 0 | 0 | 0 | 114.6 | I99 R102 K115 | I99-F117 HydrophobicContact CG2-CD1 4.01Å; I99-F117 HydrophobicContact CG2-CE1 4.03Å; R102-F117 PolarHBondContact N-O 2.94Å; K115-F117 PolarHBondContact O-N 2.96Å |
| 118 | I | 97.9 | Very high | 95.5 | Very high | 50 Ų | 50 | 78.3 Ų | 78.3 | 26% | 0.256 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 133.9 | -177.9 | -172.8 | 170 | 0 | 0 | 0 | 112 | R102 K115 T120 Y144 | R102-I118 HydrophobicContact CB-CB 4.37Å; R102-I118 HydrophobicContact CB-CG1 4.18Å; R102-I118 CarbonylContact O-C 3.57Å; R102-I118 VanDerWaalsContact O-CA 3.24Å; R102-I118 WeakPolarHBondContact O-CA 3.2Å; K115-I118 WeakPolarHBondContact CA-O 3.46Å; K115-I118 HydrophobicContact CB-CG2 3.86Å; K115-I118 WeakPolarHBondContact CB-O 3.25Å; K115-I118 HydrophobicContact CD-CG2 4.19Å; K115-I118 HydrophobicContact CG-CG2 4.47Å; K115-I118 PolarHBondContact N-O 3.07Å; K115-I118 PolarHBondContact O-N 3.08Å; I118-T120 HydrophobicContact CD1-CG2 4.15Å; I118-T120 HydrophobicContact CG1-CG2 4.19Å; I118-Y144 PolarHBondContact N-OH 3Å; I118-Y144 PolarHBondContact O-OH 3.21Å |
| 119 | C | 98 | Very high | 95.7 | Very high | 3 Ų | 3 | 76.5 Ų | 76.5 | 2% | 0.02 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 116.6 | 170.4 | 176.4 | 0 | 0 | 0 | 0 | 108.2 | R102 F103 R104 R113 A143 Y144 | R102-C119 PolarHBondContact O-N 3.43Å; F103-C119 CarbonylContact C-O 3.51Å; F103-C119 WeakPolarHBondContact CA-O 3.49Å; F103-C119 HydrophobicContact CD1-CB 3.6Å; F103-C119 HydrophobicContact CE1-CB 3.61Å; R104-C119 PolarHBondContact N-O 3.2Å; R113-C119 CarbonylContact O-C 3.55Å; R113-C119 WeakPolarHBondContact O-CA 3.3Å; C119-A143 HydrophobicContact CB-CB 4.42Å; C119-Y144 HydrophobicContact CB-CE2 4.3Å; C119-Y144 WeakPolarHBondContact CB-OH 3.48Å; C119-Y144 PolarHBondContact N-OH 2.95Å |
| 120 | T | 97.9 | Very high | 95.8 | Very high | 20 Ų | 20 | 75.4 Ų | 75.4 | 12% | 0.123 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 133.2 | 174.7 | 60.3 | 0 | 0 | 0 | 0 | 109 | R104 T112 R113 I118 | R104-T120 HydrophobicContact CB-CG2 4.29Å; R104-T120 CarbonylContact O-C 3.57Å; R104-T120 VanDerWaalsContact O-CA 3.25Å; R104-T120 WeakPolarHBondContact O-CA 3.43Å; T112-T120 CarbonylContact C-O 3.56Å; T112-T120 VanDerWaalsContact CA-O 3.25Å; T112-T120 WeakPolarHBondContact CA-O 3.33Å; R113-T120 WeakPolarHBondContact CB-OG1 3.31Å; R113-T120 PolarHBondContact N-O 2.86Å; R113-T120 PolarHBondContact O-N 2.79Å; I118-T120 HydrophobicContact CD1-CG2 4.15Å; I118-T120 HydrophobicContact CG1-CG2 4.19Å |
| 121 | M | 96.9 | Very high | 95.9 | Very high | 11 Ų | 11 | 74.4 Ų | 74.4 | 5% | 0.054 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 149.4 | -178.1 | 64.6 | -172.4 | 72.6 | 0 | 0 | 112.8 | F103 R104 A105 S106 T112 F134 F139 | F103-M121 HydrophobicContact CD1-CE 3.48Å; F103-M121 VanDerWaalsContact CD1-CE 3.48Å; F103-M121 HydrophobicContact CE1-CE 4.12Å; F103-M121 HydrophobicContact CG-CE 4.41Å; R104-M121 PolarHBondContact O-N 2.88Å; A105-M121 WeakPolarHBondContact CA-O 3.45Å; A105-M121 HydrophobicContact CB-CG 3.71Å; A105-M121 HydrophobicContact CB-SD 4.41Å; S106-M121 PolarHBondContact N-O 2.96Å; S106-M121 VanDerWaalsContact N-O 3.15Å; T112-M121 HydrophobicContact CG2-CB 4.4Å; M121-F134 HydrophobicContact CE-CE2 4.21Å; M121-F134 HydrophobicContact CE-CZ 3.8Å; M121-F134 HydrophobicContact SD-CE2 3.49Å; M121-F134 WeakPolarHBondContact SD-CE2 3.41Å; M121-F134 HydrophobicContact SD-CZ 3.73Å; M121-F139 HydrophobicContact CE-CD1 3.82Å; M121-F139 HydrophobicContact CE-CE1 4.03Å; M121-F139 HydrophobicContact CE-CG 4.34Å; M121-F139 HydrophobicContact SD-CD1 4.05Å; M121-F139 HydrophobicContact SD-CE1 3.64Å; M121-F139 HydrophobicContact SD-CZ 3.93Å |
| 122 | P | 96.9 | Very high | 95.9 | Very high | 54 Ų | 54 | 72.2 Ų | 72.2 | 35% | 0.351 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 150.9 | 171.4 | 30.8 | -35.9 | 0 | 0 | 0 | 110.6 | Q109 T112 | Q109-P122 WeakPolarHBondContact O-CB 3.48Å; T112-P122 WeakPolarHBondContact OG1-CD 3.33Å |
| 123 | M | 94.6 | Very high | 95.8 | Very high | 33 Ų | 33 | 72.4 Ų | 72.4 | 16% | 0.163 | 35% | 0.346 | C | S | . | . | trans | -133.5 | 147.1 | 160.4 | 77.4 | 178.2 | 60.1 | 0 | 0 | 109.5 | F87 F89 A105 S106 N107 L125 I132 | F87-M123 HydrophobicContact CD1-CE 4.48Å; F87-M123 HydrophobicContact CD1-SD 3.72Å; F87-M123 HydrophobicContact CE1-CE 4.27Å; F87-M123 HydrophobicContact CE1-SD 3.8Å; F89-M123 HydrophobicContact CD1-CE 3.45Å; F89-M123 VanDerWaalsContact CD1-CE 3.45Å; F89-M123 HydrophobicContact CE1-CE 3.15Å; F89-M123 HydrophobicContact CE1-SD 4.29Å; F89-M123 HydrophobicContact CZ-CE 4.12Å; A105-M123 HydrophobicContact CB-CE 3.17Å; A105-M123 WeakPolarHBondContact O-CE 3.49Å; S106-M123 PolarHBondContact O-N 2.94Å; N107-M123 WeakPolarHBondContact CA-O 3.25Å; N107-M123 HydrophobicContact CB-CG 4.15Å; M123-L125 HydrophobicContact CG-CG 4.35Å; M123-L125 HydrophobicContact SD-CD1 4.16Å; M123-L125 HydrophobicContact SD-CD2 4.1Å; M123-L125 HydrophobicContact SD-CG 4.07Å; M123-I132 HydrophobicContact SD-CD1 4.23Å | ||
| 124 | R | 92.4 | Very high | 95.8 | Very high | 220 Ų | 220 | 65.4 Ų | 65.4 | 83% | 0.83 | 32% | 0.32 | S | S | * | . | trans | -101.1 | 137.4 | 166.7 | -171.5 | 174.3 | -178.9 | 153.9 | 2 | 108.3 | ||||
| 125 | L | 93.4 | Very high | 95.8 | Very high | 21 Ų | 21 | 64 Ų | 64 | 11% | 0.11 | 31% | 0.31 | C | S | . | . | trans | -121.3 | 126.1 | 170.7 | -65.5 | 176.1 | 0 | 0 | 0 | 107.8 | I80 N82 F87 M123 N130 I132 | I80-L125 HydrophobicContact CD1-CD1 4.11Å; I80-L125 HydrophobicContact CD1-CD2 4.23Å; N82-L125 HydrophobicContact CB-CB 3.98Å; N82-L125 HydrophobicContact CB-CD1 4.44Å; N82-L125 PolarHBondContact ND2-O 2.99Å; N82-L125 VanDerWaalsContact ND2-O 3.11Å; F87-L125 HydrophobicContact CB-CD1 4.32Å; F87-L125 HydrophobicContact CD1-CD1 3.67Å; F87-L125 HydrophobicContact CE1-CD1 4.38Å; F87-L125 HydrophobicContact CG-CD1 4.23Å; M123-L125 HydrophobicContact CG-CG 4.35Å; M123-L125 HydrophobicContact SD-CD1 4.16Å; M123-L125 HydrophobicContact SD-CD2 4.1Å; M123-L125 HydrophobicContact SD-CG 4.07Å; L125-N130 HydrophobicContact CD2-CB 4.09Å; L125-I132 HydrophobicContact CD2-CD1 3.88Å; L125-I132 HydrophobicContact CD2-CG1 4.02Å | ||
| 126 | D | 94.2 | Very high | 95.8 | Very high | 101 Ų | 101 | 57.3 Ų | 57.3 | 54% | 0.54 | 28% | 0.281 | S | S | . | . | trans | -73.2 | 169.6 | 173.7 | -62.1 | -43.2 | 0 | 0 | 0 | 110.2 | N82 N130 | N82-D126 WeakPolarHBondContact CB-O 3.42Å; N82-D126 PolarHBondContact ND2-O 3.47Å; D126-N130 PolarHBondContact N-OD1 3Å; D126-N130 PolarHBondContact O-ND2 3.25Å | ||
| 127 | E | 92.6 | Very high | 95.9 | Very high | 144 Ų | 144 | 55.1 Ų | 55.1 | 67% | 0.673 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -67.1 | 139.9 | 175 | -179.9 | 160.8 | -171.5 | 0 | 0 | 111 | K84 | K84-E127 WeakPolarHBondContact CE-OE1 3.31Å; K84-E127 WeakPolarHBondContact CE-OE2 3.48Å; K84-E127 IonicContact NZ-OE1 2.94Å; K84-E127 PolarHBondContact NZ-OE1 3.38Å; K84-E127 IonicContact NZ-OE2 3.64Å; K84-E127 PolarHBondContact NZ-OE2 2.99Å |
| 128 | G | 94.4 | Very high | 95.9 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 16% | 0.155 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.1 | -141.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K81 N82 N130 | K81-G128 CarbonylContact C-O 3.57Å; K81-G128 WeakPolarHBondContact CA-O 3.07Å; N82-G128 PolarHBondContact N-O 2.83Å; G128-N130 PolarHBondContact O-ND2 3.4Å |
| 129 | W | 96 | Very high | 95.9 | Very high | 39 Ų | 39 | 49.7 Ų | 49.7 | 15% | 0.148 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 130.2 | -173.3 | -74.9 | 98.9 | 0 | 0 | 0 | 112.2 | D39 I42 V46 I79 I80 K81 R161 R163 L183 | D39-W129 HydrophobicContact CB-CZ2 4.23Å; D39-W129 PolarHBondContact OD1-NE1 3.26Å; I42-W129 HydrophobicContact CD1-CH2 4.06Å; I42-W129 HydrophobicContact CD1-CZ2 3.47Å; I42-W129 VanDerWaalsContact CD1-CZ2 3.47Å; I42-W129 HydrophobicContact CG1-CZ2 3.95Å; V46-W129 HydrophobicContact CB-CH2 4.26Å; V46-W129 HydrophobicContact CG1-CH2 3.53Å; V46-W129 HydrophobicContact CG1-CZ2 3.71Å; I79-W129 HydrophobicContact CG2-CE3 3.84Å; I79-W129 HydrophobicContact CG2-CZ3 4.14Å; I80-W129 VanDerWaalsContact C-CE3 3.42Å; K81-W129 HydrophobicContact CB-CD2 3.86Å; K81-W129 HydrophobicContact CB-CE3 3.95Å; K81-W129 HydrophobicContact CB-CG 4.44Å; K81-W129 HydrophobicContact CB-CH2 4.04Å; K81-W129 HydrophobicContact CB-CZ2 3.96Å; K81-W129 HydrophobicContact CB-CZ3 4.04Å; K81-W129 HydrophobicContact CD-CZ2 4.15Å; K81-W129 HydrophobicContact CG-CD2 4.43Å; W129-R161 HydrophobicContact CH2-CB 4.35Å; W129-R163 HydrophobicContact CE3-CB 4.43Å; W129-R163 HydrophobicContact CH2-CB 3.75Å; W129-R163 HydrophobicContact CZ3-CB 3.52Å; W129-L183 HydrophobicContact CB-CD2 3.6Å; W129-L183 HydrophobicContact CD2-CD2 4.13Å; W129-L183 HydrophobicContact CE3-CD2 4.49Å; W129-L183 HydrophobicContact CG-CD2 3.74Å |
| 130 | N | 95.8 | Very high | 95.9 | Very high | 18 Ų | 18 | 49.6 Ų | 49.6 | 10% | 0.096 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 140.6 | -177.6 | -72 | -105.8 | 0 | 0 | 0 | 109.7 | I79 I80 L125 D126 G128 | I79-N130 WeakPolarHBondContact CA-O 3.38Å; I80-N130 HydrophobicContact CG1-CB 4.48Å; I80-N130 PolarHBondContact N-O 2.65Å; I80-N130 PolarHBondContact O-N 2.87Å; L125-N130 HydrophobicContact CD2-CB 4.09Å; D126-N130 PolarHBondContact N-OD1 3Å; D126-N130 PolarHBondContact O-ND2 3.25Å; G128-N130 PolarHBondContact O-ND2 3.4Å |
| 131 | Q | 94.8 | Very high | 95.9 | Very high | 80 Ų | 80 | 55.2 Ų | 55.2 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 97.1 | 169.6 | -174.3 | -178.7 | -6.8 | 0 | 0 | 109.3 | V77 Q133 | V77-Q131 HydrophobicContact CG1-CG 3.82Å; Q131-Q133 HydrophobicContact CG-CG 4.31Å; Q131-Q133 PolarHBondContact O-N 3.15Å |
| 132 | I | 95.3 | Very high | 95.9 | Very high | 23 Ų | 23 | 62.1 Ų | 62.1 | 12% | 0.118 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 123.7 | 175.2 | -57.1 | 172.4 | 0 | 0 | 0 | 108.2 | V77 M78 I80 F87 F89 M123 L125 | V77-I132 CarbonylContact C-O 3.5Å; V77-I132 VanDerWaalsContact CA-O 3.26Å; V77-I132 WeakPolarHBondContact CA-O 3.3Å; M78-I132 HydrophobicContact CB-CB 4.29Å; M78-I132 HydrophobicContact CE-CB 4.29Å; M78-I132 HydrophobicContact CE-CD1 4.3Å; M78-I132 HydrophobicContact CE-CG2 3.98Å; M78-I132 PolarHBondContact N-O 2.83Å; M78-I132 PolarHBondContact O-N 2.81Å; I80-I132 HydrophobicContact CD1-CD1 3.44Å; I80-I132 VanDerWaalsContact CD1-CD1 3.44Å; I80-I132 HydrophobicContact CD1-CG1 4.41Å; I80-I132 HydrophobicContact CG1-CD1 3.88Å; I80-I132 HydrophobicContact CG1-CG1 4.38Å; F87-I132 HydrophobicContact CE1-CD1 4.18Å; F89-I132 HydrophobicContact CE1-CD1 4.2Å; F89-I132 HydrophobicContact CE1-CG2 4.09Å; F89-I132 HydrophobicContact CZ-CG2 4.34Å; M123-I132 HydrophobicContact SD-CD1 4.23Å; L125-I132 HydrophobicContact CD2-CD1 3.88Å; L125-I132 HydrophobicContact CD2-CG1 4.02Å |
| 133 | Q | 95.6 | Very high | 95.9 | Very high | 88 Ų | 88 | 60.6 Ų | 60.6 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 119.9 | 173 | -60.2 | 177.4 | 3.3 | 0 | 0 | 109 | V77 Q131 L171 | V77-Q133 HydrophobicContact CG1-CG 4.45Å; V77-Q133 HydrophobicContact CG2-CG 4.37Å; Q131-Q133 HydrophobicContact CG-CG 4.31Å; Q131-Q133 PolarHBondContact O-N 3.15Å; Q133-L171 HydrophobicContact CB-CD2 4.12Å; Q133-L171 HydrophobicContact CG-CD2 4.14Å |
| 134 | F | 96.8 | Very high | 96 | Very high | 7 Ų | 7 | 60.6 Ų | 60.6 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 106.7 | -174.6 | -158.7 | -94.6 | 0 | 0 | 0 | 110.4 | F75 L76 F89 F103 A105 M121 L136 F139 | F75-F134 WeakPolarHBondContact CA-O 3.47Å; L76-F134 HydrophobicContact CB-CB 4.21Å; L76-F134 PolarHBondContact N-O 2.94Å; L76-F134 PolarHBondContact O-N 2.8Å; F89-F134 HydrophobicContact CE2-CD2 4.1Å; F89-F134 HydrophobicContact CE2-CE2 4.24Å; F89-F134 HydrophobicContact CE2-CG 4.35Å; F89-F134 AromaticContact CZ-CD2 3.67Å; F89-F134 HydrophobicContact CZ-CD2 3.67Å; F89-F134 AromaticContact CZ-CE2 3.98Å; F89-F134 HydrophobicContact CZ-CE2 3.98Å; F89-F134 HydrophobicContact CZ-CG 4.23Å; F103-F134 HydrophobicContact CB-CE1 4.06Å; F103-F134 HydrophobicContact CB-CZ 3.91Å; F103-F134 HydrophobicContact CD1-CZ 4.36Å; F103-F134 HydrophobicContact CD2-CE1 4.48Å; F103-F134 HydrophobicContact CG-CE1 4.15Å; F103-F134 HydrophobicContact CG-CZ 4.15Å; A105-F134 HydrophobicContact CB-CE2 4.48Å; M121-F134 HydrophobicContact CE-CE2 4.21Å; M121-F134 HydrophobicContact CE-CZ 3.8Å; M121-F134 HydrophobicContact SD-CE2 3.49Å; M121-F134 WeakPolarHBondContact SD-CE2 3.41Å; M121-F134 HydrophobicContact SD-CZ 3.73Å; F134-L136 HydrophobicContact CD1-CD2 3.5Å; F134-L136 HydrophobicContact CD1-CG 4.01Å; F134-L136 HydrophobicContact CE1-CD2 3.67Å; F134-L136 PolarHBondContact O-N 3.06Å; F134-F139 AromaticContact CD1-CD2 3.86Å; F134-F139 HydrophobicContact CD1-CD2 3.86Å; F134-F139 HydrophobicContact CD1-CE2 4.23Å; F134-F139 HydrophobicContact CD2-CD2 4.02Å; F134-F139 AromaticContact CD2-CE2 3.58Å; F134-F139 HydrophobicContact CD2-CE2 3.58Å; F134-F139 HydrophobicContact CD2-CZ 4.35Å; F134-F139 HydrophobicContact CE1-CB 4.37Å; F134-F139 AromaticContact CE1-CD2 3.53Å; F134-F139 HydrophobicContact CE1-CD2 3.53Å; F134-F139 HydrophobicContact CE1-CE2 4.12Å; F134-F139 HydrophobicContact CE1-CG 4.15Å; F134-F139 AromaticContact CE2-CD2 3.72Å; F134-F139 HydrophobicContact CE2-CD2 3.72Å; F134-F139 AromaticContact CE2-CE2 3.46Å; F134-F139 HydrophobicContact CE2-CE2 3.46Å; F134-F139 VanDerWaalsContact CE2-CE2 3.46Å; F134-F139 HydrophobicContact CE2-CG 4.45Å; F134-F139 AromaticContact CE2-CZ 3.98Å; F134-F139 HydrophobicContact CE2-CZ 3.98Å; F134-F139 HydrophobicContact CG-CD2 4.1Å; F134-F139 AromaticContact CG-CE2 3.99Å; F134-F139 HydrophobicContact CG-CE2 3.99Å; F134-F139 HydrophobicContact CZ-CB 4.46Å; F134-F139 AromaticContact CZ-CD2 3.46Å; F134-F139 HydrophobicContact CZ-CD2 3.46Å; F134-F139 VanDerWaalsContact CZ-CD2 3.46Å; F134-F139 AromaticContact CZ-CE2 3.75Å; F134-F139 HydrophobicContact CZ-CE2 3.75Å; F134-F139 AromaticContact CZ-CG 3.93Å; F134-F139 HydrophobicContact CZ-CG 3.93Å; F134-F139 HydrophobicContact CZ-CZ 4.4Å |
| 135 | N | 97.4 | Very high | 96.3 | Very high | 45 Ų | 45 | 53.1 Ų | 53.1 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 94 | 179.9 | -174 | -20.7 | 0 | 0 | 0 | 110.7 | F75 C137 D138 F139 | F75-N135 HydrophobicContact CD1-CB 3.94Å; F75-N135 HydrophobicContact CE1-CB 3.73Å; F75-N135 VanDerWaalsContact CE1-CG 3.5Å; F75-N135 WeakPolarHBondContact CE1-ND2 3.34Å; N135-C137 VanDerWaalsContact C-N 3.34Å; N135-C137 PolarHBondContact O-N 2.74Å; N135-C137 PolarHBondContact OD1-N 3.1Å; N135-D138 HydrophobicContact CB-CB 4.03Å; N135-D138 WeakPolarHBondContact ND2-CB 3.36Å; N135-D138 PolarHBondContact O-N 3.46Å; N135-D138 WeakPolarHBondContact OD1-CB 3.46Å; N135-D138 PolarHBondContact OD1-N 3.02Å; N135-F139 WeakPolarHBondContact O-CB 3.42Å; N135-F139 WeakPolarHBondContact O-CD2 3.49Å; N135-F139 PolarHBondContact O-N 2.84Å |
| 136 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.3 | -37.7 | -174.5 | -65 | 161.3 | 0 | 0 | 0 | 112.1 | P74 L76 V91 I93 F134 T140 Y148 T151 F167 | P74-L136 WeakPolarHBondContact O-CB 3.42Å; P74-L136 PolarHBondContact O-N 3.36Å; L76-L136 HydrophobicContact CB-CD1 4.23Å; V91-L136 HydrophobicContact CB-CD2 4.3Å; V91-L136 HydrophobicContact CG1-CD2 3.82Å; I93-L136 HydrophobicContact CG2-CD2 3.92Å; F134-L136 HydrophobicContact CD1-CD2 3.5Å; F134-L136 HydrophobicContact CD1-CG 4.01Å; F134-L136 HydrophobicContact CE1-CD2 3.67Å; F134-L136 PolarHBondContact O-N 3.06Å; L136-T140 VanDerWaalsContact O-CB 3.23Å; L136-T140 WeakPolarHBondContact O-CB 3.3Å; L136-T140 PolarHBondContact O-N 3.11Å; L136-T140 PolarHBondContact O-OG1 3.41Å; L136-Y148 HydrophobicContact CB-CD2 3.83Å; L136-Y148 HydrophobicContact CB-CE2 3.8Å; L136-Y148 HydrophobicContact CB-CG 4.24Å; L136-Y148 HydrophobicContact CD1-CE2 3.94Å; L136-Y148 HydrophobicContact CG-CE2 4.39Å; L136-T151 VanDerWaalsContact CD1-OG1 3.26Å; L136-T151 WeakPolarHBondContact CD1-OG1 3.43Å; L136-F167 HydrophobicContact CD1-CD1 4.33Å; L136-F167 HydrophobicContact CD1-CE1 3.75Å |
| 137 | C | 97.2 | Very high | 96.7 | Very high | 44 Ų | 44 | 51.8 Ų | 51.8 | 30% | 0.297 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.1 | -50.5 | 176.1 | -73.2 | 0 | 0 | 0 | 0 | 111.3 | P74 N135 T140 R141 Y148 | P74-C137 HydrophobicContact CB-CB 4.35Å; P74-C137 WeakPolarHBondContact CB-SG 3.37Å; N135-C137 VanDerWaalsContact C-N 3.34Å; N135-C137 PolarHBondContact O-N 2.74Å; N135-C137 PolarHBondContact OD1-N 3.1Å; C137-T140 PolarHBondContact O-N 3.14Å; C137-R141 WeakPolarHBondContact O-CB 3.27Å; C137-R141 PolarHBondContact O-N 2.81Å; C137-Y148 VanDerWaalsContact SG-CD1 3.57Å |
| 138 | D | 97.6 | Very high | 96.9 | Very high | 30 Ų | 30 | 46 Ų | 46 | 16% | 0.16 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.9 | -41.8 | -176.4 | -171.7 | 52.9 | 0 | 0 | 0 | 112.2 | N135 T140 R141 R142 | N135-D138 HydrophobicContact CB-CB 4.03Å; N135-D138 WeakPolarHBondContact ND2-CB 3.36Å; N135-D138 PolarHBondContact O-N 3.46Å; N135-D138 WeakPolarHBondContact OD1-CB 3.46Å; N135-D138 PolarHBondContact OD1-N 3.02Å; D138-T140 VanDerWaalsContact C-N 3.35Å; D138-T140 PolarHBondContact O-N 3.38Å; D138-R141 PolarHBondContact O-N 3.09Å; D138-R141 IonicContact OD1-CZ 3.89Å; D138-R141 IonicContact OD1-NE 3.99Å; D138-R141 IonicContact OD1-NH2 2.88Å; D138-R141 PolarHBondContact OD1-NH2 3.29Å; D138-R142 WeakPolarHBondContact O-CB 3.32Å; D138-R142 WeakPolarHBondContact O-CG 3.3Å; D138-R142 PolarHBondContact O-N 2.99Å; D138-R142 IonicContact OD2-CZ 2.85Å; D138-R142 IonicContact OD2-NE 2.71Å; D138-R142 IonicContact OD2-NH1 2.82Å; D138-R142 PolarHBondContact OD2-NH1 3.16Å; D138-R142 IonicContact OD2-NH2 3.67Å; D138-R142 PolarHBondContact OD2-NH2 3.04Å |
| 139 | F | 97.6 | Very high | 97.1 | Very high | 48 Ų | 48 | 48.1 Ų | 48.1 | 21% | 0.211 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.7 | -39.9 | 173.4 | -78.2 | -62.4 | 0 | 0 | 0 | 112.6 | F103 M121 F134 N135 A143 | F103-F139 HydrophobicContact CD1-CB 4.41Å; F103-F139 HydrophobicContact CE1-CB 3.89Å; F103-F139 HydrophobicContact CZ-CB 3.96Å; M121-F139 HydrophobicContact CE-CD1 3.82Å; M121-F139 HydrophobicContact CE-CE1 4.03Å; M121-F139 HydrophobicContact CE-CG 4.34Å; M121-F139 HydrophobicContact SD-CD1 4.05Å; M121-F139 HydrophobicContact SD-CE1 3.64Å; M121-F139 HydrophobicContact SD-CZ 3.93Å; F134-F139 AromaticContact CD1-CD2 3.86Å; F134-F139 HydrophobicContact CD1-CD2 3.86Å; F134-F139 HydrophobicContact CD1-CE2 4.23Å; F134-F139 HydrophobicContact CD2-CD2 4.02Å; F134-F139 AromaticContact CD2-CE2 3.58Å; F134-F139 HydrophobicContact CD2-CE2 3.58Å; F134-F139 HydrophobicContact CD2-CZ 4.35Å; F134-F139 HydrophobicContact CE1-CB 4.37Å; F134-F139 AromaticContact CE1-CD2 3.53Å; F134-F139 HydrophobicContact CE1-CD2 3.53Å; F134-F139 HydrophobicContact CE1-CE2 4.12Å; F134-F139 HydrophobicContact CE1-CG 4.15Å; F134-F139 AromaticContact CE2-CD2 3.72Å; F134-F139 HydrophobicContact CE2-CD2 3.72Å; F134-F139 AromaticContact CE2-CE2 3.46Å; F134-F139 HydrophobicContact CE2-CE2 3.46Å; F134-F139 VanDerWaalsContact CE2-CE2 3.46Å; F134-F139 HydrophobicContact CE2-CG 4.45Å; F134-F139 AromaticContact CE2-CZ 3.98Å; F134-F139 HydrophobicContact CE2-CZ 3.98Å; F134-F139 HydrophobicContact CG-CD2 4.1Å; F134-F139 AromaticContact CG-CE2 3.99Å; F134-F139 HydrophobicContact CG-CE2 3.99Å; F134-F139 HydrophobicContact CZ-CB 4.46Å; F134-F139 AromaticContact CZ-CD2 3.46Å; F134-F139 HydrophobicContact CZ-CD2 3.46Å; F134-F139 VanDerWaalsContact CZ-CD2 3.46Å; F134-F139 AromaticContact CZ-CE2 3.75Å; F134-F139 HydrophobicContact CZ-CE2 3.75Å; F134-F139 AromaticContact CZ-CG 3.93Å; F134-F139 HydrophobicContact CZ-CG 3.93Å; F134-F139 HydrophobicContact CZ-CZ 4.4Å; N135-F139 WeakPolarHBondContact O-CB 3.42Å; N135-F139 WeakPolarHBondContact O-CD2 3.49Å; N135-F139 PolarHBondContact O-N 2.84Å; F139-A143 WeakPolarHBondContact O-CB 3.2Å; F139-A143 PolarHBondContact O-N 3.01Å |
| 140 | T | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 176.6 | -56.2 | 0 | 0 | 0 | 0 | 111 | I93 D95 L136 C137 D138 Y144 T146 | I93-T140 HydrophobicContact CD1-CG2 4.07Å; D95-T140 HydrophobicContact CB-CG2 4.24Å; L136-T140 VanDerWaalsContact O-CB 3.23Å; L136-T140 WeakPolarHBondContact O-CB 3.3Å; L136-T140 PolarHBondContact O-N 3.11Å; L136-T140 PolarHBondContact O-OG1 3.41Å; C137-T140 PolarHBondContact O-N 3.14Å; D138-T140 VanDerWaalsContact C-N 3.35Å; D138-T140 PolarHBondContact O-N 3.38Å; T140-Y144 WeakPolarHBondContact O-CB 3.35Å; T140-Y144 PolarHBondContact O-N 2.85Å; T140-T146 CarbonylContact C-O 3.59Å; T140-T146 WeakPolarHBondContact CG2-OG1 3.42Å |
| 141 | R | 97.8 | Very high | 97.2 | Very high | 139 Ų | 139 | 45.7 Ų | 45.7 | 53% | 0.525 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.5 | -48 | 178 | -178.2 | 174.2 | 55.2 | -148.8 | -5.5 | 112.4 | C137 D138 G145 T146 | C137-R141 WeakPolarHBondContact O-CB 3.27Å; C137-R141 PolarHBondContact O-N 2.81Å; D138-R141 PolarHBondContact O-N 3.09Å; D138-R141 IonicContact OD1-CZ 3.89Å; D138-R141 IonicContact OD1-NE 3.99Å; D138-R141 IonicContact OD1-NH2 2.88Å; D138-R141 PolarHBondContact OD1-NH2 3.29Å; R141-G145 VanDerWaalsContact O-CA 3.3Å; R141-G145 WeakPolarHBondContact O-CA 3.35Å; R141-G145 PolarHBondContact O-N 2.93Å; R141-T146 WeakPolarHBondContact CA-O 3.35Å; R141-T146 PolarHBondContact N-O 2.81Å |
| 142 | R | 97.1 | Very high | 97.4 | Very high | 155 Ų | 155 | 42.6 Ų | 42.6 | 59% | 0.585 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -67.4 | -39.1 | -178.9 | -72.1 | -165.9 | -58.7 | -125.6 | -9.5 | 113.4 | D138 | D138-R142 WeakPolarHBondContact O-CB 3.32Å; D138-R142 WeakPolarHBondContact O-CG 3.3Å; D138-R142 PolarHBondContact O-N 2.99Å; D138-R142 IonicContact OD2-CZ 2.85Å; D138-R142 IonicContact OD2-NE 2.71Å; D138-R142 IonicContact OD2-NH1 2.82Å; D138-R142 PolarHBondContact OD2-NH1 3.16Å; D138-R142 IonicContact OD2-NH2 3.67Å; D138-R142 PolarHBondContact OD2-NH2 3.04Å |
| 143 | A | 96.8 | Very high | 97.5 | Very high | 23 Ų | 23 | 43.9 Ų | 43.9 | 19% | 0.19 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -78.8 | -32.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F103 V114 C119 F139 | F103-A143 HydrophobicContact CE1-CB 4.08Å; F103-A143 HydrophobicContact CZ-CB 4.37Å; V114-A143 HydrophobicContact CG1-CB 4.21Å; V114-A143 WeakPolarHBondContact CG1-O 3.37Å; V114-A143 HydrophobicContact CG2-CB 4.26Å; C119-A143 HydrophobicContact CB-CB 4.42Å; F139-A143 WeakPolarHBondContact O-CB 3.2Å; F139-A143 PolarHBondContact O-N 3.01Å |
| 144 | Y | 97.7 | Very high | 97.6 | Very high | 33 Ų | 33 | 39.7 Ų | 39.7 | 13% | 0.129 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -131.6 | -8.9 | -165.6 | -59.6 | -66.6 | 0 | 0 | 0 | 115.6 | R101 F103 V114 K115 P116 I118 C119 T140 T146 | R101-Y144 HydrophobicContact CB-CE2 3.95Å; R101-Y144 HydrophobicContact CG-CD2 4.41Å; R101-Y144 HydrophobicContact CG-CE2 4.22Å; F103-Y144 HydrophobicContact CE1-CE2 4.06Å; F103-Y144 HydrophobicContact CE2-CE2 4.48Å; F103-Y144 HydrophobicContact CZ-CD2 4.12Å; F103-Y144 AromaticContact CZ-CE2 3.74Å; F103-Y144 HydrophobicContact CZ-CE2 3.74Å; V114-Y144 HydrophobicContact CG1-CD1 4.26Å; V114-Y144 HydrophobicContact CG1-CE1 3.73Å; K115-Y144 VanDerWaalsContact O-CE1 3.28Å; K115-Y144 WeakPolarHBondContact O-CE1 3.4Å; K115-Y144 PolarHBondContact O-OH 2.81Å; K115-Y144 VanDerWaalsContact O-OH 3.12Å; P116-Y144 WeakPolarHBondContact O-CE1 3.33Å; I118-Y144 PolarHBondContact N-OH 3Å; I118-Y144 PolarHBondContact O-OH 3.21Å; C119-Y144 HydrophobicContact CB-CE2 4.3Å; C119-Y144 WeakPolarHBondContact CB-OH 3.48Å; C119-Y144 PolarHBondContact N-OH 2.95Å; T140-Y144 WeakPolarHBondContact O-CB 3.35Å; T140-Y144 PolarHBondContact O-N 2.85Å; Y144-T146 WeakPolarHBondContact CB-OG1 3.21Å; Y144-T146 PolarHBondContact O-N 2.89Å |
| 145 | G | 97.4 | Very high | 97.7 | Very high | 62 Ų | 62 | 40.8 Ų | 40.8 | 64% | 0.639 | 21% | 0.208 | S | C | * | . | S | Bend | trans | 63.5 | 26.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R141 | R141-G145 VanDerWaalsContact O-CA 3.3Å; R141-G145 WeakPolarHBondContact O-CA 3.35Å; R141-G145 PolarHBondContact O-N 2.93Å |
| 146 | T | 97.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | trans | -124.9 | 163.6 | -178.3 | 55.4 | 0 | 0 | 0 | 0 | 110.7 | D95 D96 K97 T140 R141 Y144 | D95-T146 PolarHBondContact OD2-OG1 2.98Å; D96-T146 VanDerWaalsContact OD1-CB 3.25Å; D96-T146 WeakPolarHBondContact OD1-CB 3.3Å; K97-T146 HydrophobicContact CD-CG2 3.6Å; K97-T146 HydrophobicContact CG-CG2 3.88Å; T140-T146 CarbonylContact C-O 3.59Å; T140-T146 WeakPolarHBondContact CG2-OG1 3.42Å; R141-T146 WeakPolarHBondContact CA-O 3.35Å; R141-T146 PolarHBondContact N-O 2.81Å; Y144-T146 WeakPolarHBondContact CB-OG1 3.21Å; Y144-T146 PolarHBondContact O-N 2.89Å | ||
| 147 | N | 98.1 | Very high | 97.7 | Very high | 93 Ų | 93 | 39.1 Ų | 39.1 | 50% | 0.497 | 20% | 0.199 | S | C | . | . | trans | -95.3 | 139.5 | 178.6 | -60.4 | -64.9 | 0 | 0 | 0 | 111.3 | D95 D96 | D95-N147 CarbonylContact C-O 3.56Å; D95-N147 WeakPolarHBondContact CA-O 3.4Å; D95-N147 WeakPolarHBondContact CB-O 3.36Å; D96-N147 HydrophobicContact CB-CB 4.19Å; D96-N147 VanDerWaalsContact CG-N 3.34Å; D96-N147 PolarHBondContact N-O 2.77Å; D96-N147 PolarHBondContact OD1-N 2.91Å; D96-N147 VanDerWaalsContact OD1-N 3.13Å; D96-N147 WeakPolarHBondContact OD2-CB 3.19Å; D96-N147 PolarHBondContact OD2-N 2.79Å; D96-N147 PolarHBondContact OD2-ND2 2.86Å | ||
| 148 | Y | 98.2 | Very high | 97.6 | Very high | 22 Ų | 22 | 37 Ų | 37 | 9% | 0.086 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 133.6 | 171.7 | 167.9 | -98.6 | 0 | 0 | 0 | 110.2 | I71 L73 I93 L136 C137 T151 | I71-Y148 PolarHBondContact O-OH 2.91Å; L73-Y148 PolarHBondContact O-OH 2.78Å; I93-Y148 HydrophobicContact CB-CD2 3.97Å; I93-Y148 HydrophobicContact CB-CE2 3.99Å; I93-Y148 HydrophobicContact CG1-CD2 4.48Å; I93-Y148 HydrophobicContact CG2-CD2 4Å; I93-Y148 HydrophobicContact CG2-CE2 3.71Å; L136-Y148 HydrophobicContact CB-CD2 3.83Å; L136-Y148 HydrophobicContact CB-CE2 3.8Å; L136-Y148 HydrophobicContact CB-CG 4.24Å; L136-Y148 HydrophobicContact CD1-CE2 3.94Å; L136-Y148 HydrophobicContact CG-CE2 4.39Å; C137-Y148 VanDerWaalsContact SG-CD1 3.57Å; Y148-T151 PolarHBondContact OH-N 3.23Å; Y148-T151 PolarHBondContact OH-OG1 2.77Å |
| 149 | V | 97.6 | Very high | 97.5 | Very high | 60 Ų | 60 | 36 Ų | 36 | 36% | 0.364 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -55.5 | 176.2 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | L94 D95 D96 | L94-V149 WeakPolarHBondContact O-CB 3.16Å; L94-V149 PolarHBondContact O-N 2.84Å; D95-V149 VanDerWaalsContact C-CG2 3.41Å; D96-V149 HydrophobicContact CB-CG2 4.2Å |
| 150 | E | 97 | Very high | 97.5 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 3% | 0.033 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 153.5 | 179.6 | 59.1 | 175.7 | -154.6 | 0 | 0 | 112.6 | R3 G70 I71 K72 I93 L94 L152 | R3-E150 IonicContact CZ-OE1 3.42Å; R3-E150 IonicContact CZ-OE2 2.91Å; R3-E150 IonicContact NE-OE1 2.67Å; R3-E150 IonicContact NE-OE2 3.7Å; R3-E150 PolarHBondContact NE-OE2 2.85Å; R3-E150 IonicContact NH2-OE1 2.79Å; R3-E150 PolarHBondContact NH2-OE1 2.91Å; R3-E150 IonicContact NH2-OE2 3.6Å; G70-E150 WeakPolarHBondContact CA-OE2 3.49Å; I71-E150 CarbonylContact O-C 3.5Å; I71-E150 WeakPolarHBondContact O-CA 3.45Å; I71-E150 WeakPolarHBondContact O-CB 3.46Å; K72-E150 HydrophobicContact CG-CB 4.46Å; I93-E150 CarbonylContact C-O 3.5Å; I93-E150 WeakPolarHBondContact CA-O 3.41Å; L94-E150 HydrophobicContact CB-CG 3.99Å; L94-E150 HydrophobicContact CD2-CG 4.23Å; L94-E150 PolarHBondContact N-O 2.82Å; L94-E150 PolarHBondContact O-N 3.48Å; E150-L152 HydrophobicContact CG-CD2 4.02Å; E150-L152 VanDerWaalsContact OE1-CD2 3.25Å; E150-L152 WeakPolarHBondContact OE1-CD2 3.46Å |
| 151 | T | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 129.2 | 166.4 | -63.8 | 0 | 0 | 0 | 0 | 110 | L69 G70 I71 V91 L136 Y148 V154 F167 | L69-T151 WeakPolarHBondContact CB-O 3.47Å; L69-T151 HydrophobicContact CD1-CG2 4.14Å; G70-T151 PolarHBondContact N-O 2.82Å; I71-T151 PolarHBondContact N-O 2.84Å; I71-T151 PolarHBondContact O-N 3.26Å; V91-T151 HydrophobicContact CG1-CG2 3.63Å; L136-T151 VanDerWaalsContact CD1-OG1 3.26Å; L136-T151 WeakPolarHBondContact CD1-OG1 3.43Å; Y148-T151 PolarHBondContact OH-N 3.23Å; Y148-T151 PolarHBondContact OH-OG1 2.77Å; T151-V154 HydrophobicContact CG2-CG2 3.98Å; T151-F167 HydrophobicContact CG2-CE1 4.23Å; T151-F167 HydrophobicContact CG2-CZ 3.89Å |
| 152 | L | 97.8 | Very high | 97.5 | Very high | 15 Ų | 15 | 29.3 Ų | 29.3 | 8% | 0.079 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -42.5 | -179.5 | -58.9 | -179.3 | 0 | 0 | 0 | 111.9 | S68 L69 L92 L94 R100 E150 | S68-L152 WeakPolarHBondContact CA-O 3.23Å; L69-L152 PolarHBondContact N-O 2.85Å; L92-L152 HydrophobicContact CB-CB 4.38Å; L92-L152 HydrophobicContact CD2-CB 4.11Å; L92-L152 HydrophobicContact CD2-CD1 4.12Å; L92-L152 HydrophobicContact CG-CB 4.22Å; L92-L152 HydrophobicContact CG-CD1 4.21Å; L92-L152 WeakPolarHBondContact O-CA 3.3Å; L92-L152 WeakPolarHBondContact O-CB 3.47Å; L92-L152 PolarHBondContact O-N 3Å; L94-L152 HydrophobicContact CB-CD1 4.15Å; L94-L152 HydrophobicContact CB-CD2 4.23Å; L94-L152 HydrophobicContact CB-CG 4.22Å; R100-L152 HydrophobicContact CG-CD1 3.86Å; E150-L152 HydrophobicContact CG-CD2 4.02Å; E150-L152 VanDerWaalsContact OE1-CD2 3.25Å; E150-L152 WeakPolarHBondContact OE1-CD2 3.46Å |
| 153 | R | 98.1 | Very high | 97.4 | Very high | 49 Ų | 49 | 23.3 Ų | 23.3 | 19% | 0.185 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 142.6 | -173.7 | -174.6 | 171.6 | -68.5 | -77.1 | -10.4 | 111.2 | T60 C61 P62 E64 P65 R67 V91 L92 | T60-R153 HydrophobicContact CG2-CG 3.7Å; C61-R153 CarbonylContact O-C 3.56Å; C61-R153 VanDerWaalsContact O-CA 3.24Å; C61-R153 WeakPolarHBondContact O-CA 3.12Å; C61-R153 WeakPolarHBondContact O-CG 3.32Å; P62-R153 PolarHBondContact O-NH1 2.67Å; E64-R153 PolarHBondContact O-NH2 3.21Å; P65-R153 VanDerWaalsContact CA-NH2 3.33Å; P65-R153 PolarHBondContact O-NH2 2.86Å; R67-R153 PolarHBondContact O-NH2 2.77Å; V91-R153 CarbonylContact C-O 3.54Å; V91-R153 WeakPolarHBondContact CA-O 3.46Å; L92-R153 HydrophobicContact CB-CB 3.97Å; L92-R153 HydrophobicContact CD2-CB 4.45Å; L92-R153 PolarHBondContact N-O 3.03Å; L92-R153 PolarHBondContact O-N 2.96Å |
| 154 | V | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134.6 | 171.5 | 178.6 | 0 | 0 | 0 | 0 | 108.1 | I13 W25 T60 C61 L69 E90 V91 T151 I156 F167 | I13-V154 HydrophobicContact CD1-CB 4.28Å; I13-V154 HydrophobicContact CD1-CG2 4.16Å; W25-V154 HydrophobicContact CH2-CB 4.43Å; W25-V154 HydrophobicContact CH2-CG1 4.11Å; T60-V154 CarbonylContact C-O 3.43Å; T60-V154 WeakPolarHBondContact CA-O 3.28Å; C61-V154 PolarHBondContact N-O 3.44Å; C61-V154 PolarHBondContact O-N 2.9Å; L69-V154 HydrophobicContact CD1-CB 4.47Å; L69-V154 HydrophobicContact CD1-CG2 3.89Å; E90-V154 CarbonylContact O-C 3.49Å; E90-V154 WeakPolarHBondContact O-CA 3.45Å; V91-V154 HydrophobicContact CG1-CG2 4.38Å; T151-V154 HydrophobicContact CG2-CG2 3.98Å; V154-I156 HydrophobicContact CG1-CD1 4.46Å; V154-I156 HydrophobicContact CG1-CG1 4.15Å; V154-F167 HydrophobicContact CG2-CE2 4.44Å; V154-F167 HydrophobicContact CG2-CZ 4Å |
| 155 | Q | 97.9 | Very high | 97.4 | Very high | 31 Ų | 31 | 21.3 Ų | 21.3 | 15% | 0.145 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 131.6 | 174.9 | -172.5 | 178.8 | 23.3 | 0 | 0 | 108.7 | F58 I59 T60 F89 E90 H157 | F58-Q155 HydrophobicContact CB-CG 4.15Å; F58-Q155 HydrophobicContact CD2-CG 3.89Å; F58-Q155 HydrophobicContact CG-CG 4.15Å; F58-Q155 VanDerWaalsContact CG-NE2 3.35Å; I59-Q155 CarbonylContact O-C 3.6Å; I59-Q155 VanDerWaalsContact O-CA 3.3Å; I59-Q155 WeakPolarHBondContact O-CA 3.46Å; T60-Q155 HydrophobicContact CG2-CB 4.49Å; F89-Q155 CarbonylContact C-O 3.58Å; F89-Q155 VanDerWaalsContact CA-O 3.25Å; F89-Q155 WeakPolarHBondContact CA-O 3.45Å; F89-Q155 WeakPolarHBondContact CB-O 3.26Å; E90-Q155 HydrophobicContact CB-CB 4.2Å; E90-Q155 PolarHBondContact N-O 3.44Å; E90-Q155 PolarHBondContact O-N 2.81Å; E90-Q155 PolarHBondContact OE2-OE1 2.57Å; Q155-H157 VanDerWaalsContact CD-NE2 3.28Å; Q155-H157 WeakPolarHBondContact CG-NE2 3.39Å; Q155-H157 PolarHBondContact OE1-NE2 2.98Å |
| 156 | I | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 124.6 | 179.5 | -56.5 | 175.2 | 0 | 0 | 0 | 107.8 | W25 L49 F58 I59 M78 F87 F89 V154 I162 V165 | W25-I156 HydrophobicContact CH2-CD1 3.98Å; W25-I156 HydrophobicContact CH2-CG1 4.47Å; W25-I156 HydrophobicContact CZ3-CD1 4.31Å; W25-I156 HydrophobicContact CZ3-CG1 4.42Å; L49-I156 HydrophobicContact CD2-CG2 4.38Å; L49-I156 WeakPolarHBondContact CD2-O 3.19Å; F58-I156 CarbonylContact C-O 3.51Å; F58-I156 WeakPolarHBondContact CA-O 3.41Å; F58-I156 VanDerWaalsContact CB-O 3.28Å; F58-I156 WeakPolarHBondContact CB-O 3.48Å; I59-I156 HydrophobicContact CD1-CB 4.45Å; I59-I156 HydrophobicContact CG1-CB 4.01Å; I59-I156 PolarHBondContact N-O 2.78Å; I59-I156 PolarHBondContact O-N 2.93Å; M78-I156 HydrophobicContact SD-CD1 3.97Å; M78-I156 HydrophobicContact SD-CG1 4.36Å; F87-I156 HydrophobicContact CE2-CG2 3.69Å; F87-I156 HydrophobicContact CZ-CG2 4.03Å; F89-I156 HydrophobicContact CB-CG1 4.35Å; V154-I156 HydrophobicContact CG1-CD1 4.46Å; V154-I156 HydrophobicContact CG1-CG1 4.15Å; I156-I162 HydrophobicContact CB-CD1 4.26Å; I156-I162 HydrophobicContact CD1-CD1 4.08Å; I156-I162 HydrophobicContact CG2-CD1 3.71Å; I156-V165 HydrophobicContact CD1-CG2 3.69Å |
| 157 | H | 97.6 | Very high | 97.3 | Very high | 9 Ų | 9 | 18.5 Ų | 18.5 | 4% | 0.042 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 161.8 | -176.4 | -62.5 | -104 | 0 | 0 | 0 | 111.6 | V54 F58 F87 T88 E90 Q155 | V54-H157 HydrophobicContact CG1-CB 3.64Å; V54-H157 WeakPolarHBondContact O-CB 3.25Å; V54-H157 PolarHBondContact O-ND1 2.72Å; F58-H157 HydrophobicContact CB-CB 4.35Å; F58-H157 AromaticContact CD1-CE1 3.85Å; F58-H157 AromaticContact CD1-ND1 3.84Å; F87-H157 VanDerWaalsContact CD2-O 3.32Å; F87-H157 WeakPolarHBondContact CD2-O 3.41Å; F87-H157 WeakPolarHBondContact CE2-O 3.46Å; T88-H157 VanDerWaalsContact O-CB 3.29Å; T88-H157 WeakPolarHBondContact O-CB 3.31Å; T88-H157 PolarHBondContact O-N 2.97Å; E90-H157 IonicContact OE1-NE2 3.28Å; Q155-H157 VanDerWaalsContact CD-NE2 3.28Å; Q155-H157 WeakPolarHBondContact CG-NE2 3.39Å; Q155-H157 PolarHBondContact OE1-NE2 2.98Å |
| 158 | A | 95.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -58 | 153.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L49 V54 T57 Y86 | L49-A158 HydrophobicContact CB-CB 4.43Å; V54-A158 WeakPolarHBondContact CG1-O 3.45Å; V54-A158 WeakPolarHBondContact CG2-O 3.41Å; T57-A158 HydrophobicContact CG2-CB 4.27Å; T57-A158 PolarHBondContact O-N 2.93Å; Y86-A158 CarbonylContact O-C 3.5Å; Y86-A158 VanDerWaalsContact O-O 3.13Å |
| 159 | N | 95.8 | Very high | 96.9 | Very high | 8 Ų | 8 | 16 Ų | 16 | 4% | 0.043 | 8% | 0.076 | C | C | . | . | S | Bend | cis | -116.1 | 111.5 | 5 | -66.7 | -85.8 | 0 | 0 | 0 | 110.9 | L49 M50 G51 K85 Y86 | L49-N159 VanDerWaalsContact O-CA 3.27Å; L49-N159 WeakPolarHBondContact O-CA 3.19Å; M50-N159 VanDerWaalsContact CA-OD1 3.3Å; M50-N159 WeakPolarHBondContact CA-OD1 3.35Å; M50-N159 HydrophobicContact SD-CB 4.01Å; M50-N159 PolarHBondContact SD-OD1 3Å; G51-N159 PolarHBondContact N-OD1 3.29Å; G51-N159 PolarHBondContact O-ND2 2.8Å; G51-N159 PolarHBondContact O-OD1 3.17Å; G51-N159 VanDerWaalsContact O-OD1 3.07Å; K85-N159 HydrophobicContact CB-CB 3.62Å; K85-N159 HydrophobicContact CD-CB 3.96Å; K85-N159 HydrophobicContact CG-CB 4.42Å; Y86-N159 PolarHBondContact O-N 2.71Å; Y86-N159 PolarHBondContact O-ND2 2.88Å |
| 160 | C | 97 | Very high | 96.7 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.007 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 166.4 | 179.7 | 66.5 | 0 | 0 | 0 | 0 | 111.8 | L49 I80 F87 I162 | L49-C160 PolarHBondContact N-O 3.34Å; L49-C160 PolarHBondContact O-N 2.85Å; L49-C160 VanDerWaalsContact O-N 3.08Å; I80-C160 HydrophobicContact CD1-CB 4.5Å; F87-C160 HydrophobicContact CD2-CB 3.64Å; F87-C160 HydrophobicContact CE2-CB 3.75Å; F87-C160 WeakPolarHBondContact CE2-SG 3.26Å; C160-I162 VanDerWaalsContact SG-CG1 3.57Å |
| 161 | R | 97.7 | Very high | 96.3 | Very high | 47 Ų | 47 | 22.6 Ų | 22.6 | 18% | 0.177 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 130.3 | 159.7 | -61.6 | 168.2 | 178.1 | 177.9 | -1.9 | 109.1 | D39 V46 L47 E48 I80 K81 L83 W129 | D39-R161 WeakPolarHBondContact OD2-CD 3.42Å; D39-R161 IonicContact OD2-CZ 2.69Å; D39-R161 IonicContact OD2-NE 3.29Å; D39-R161 IonicContact OD2-NH1 2.8Å; D39-R161 PolarHBondContact OD2-NH1 2.86Å; V46-R161 HydrophobicContact CB-CB 4.27Å; V46-R161 HydrophobicContact CG2-CB 3.94Å; V46-R161 HydrophobicContact CG2-CG 4.17Å; L47-R161 CarbonylContact O-C 3.54Å; L47-R161 VanDerWaalsContact O-CA 3.31Å; L47-R161 WeakPolarHBondContact O-CA 3.45Å; E48-R161 HydrophobicContact CB-CG 4.02Å; E48-R161 HydrophobicContact CG-CG 4.07Å; E48-R161 IonicContact OE2-CZ 3.02Å; E48-R161 VanDerWaalsContact OE2-CZ 3.28Å; E48-R161 IonicContact OE2-NE 2.64Å; E48-R161 PolarHBondContact OE2-NE 3.26Å; E48-R161 IonicContact OE2-NH2 3.14Å; E48-R161 PolarHBondContact OE2-NH2 2.69Å; I80-R161 CarbonylContact C-O 3.47Å; I80-R161 WeakPolarHBondContact CA-O 3.34Å; K81-R161 HydrophobicContact CB-CB 3.99Å; K81-R161 PolarHBondContact N-O 2.75Å; K81-R161 PolarHBondContact O-N 2.88Å; L83-R161 HydrophobicContact CD1-CG 4.28Å; L83-R161 HydrophobicContact CD2-CG 4.11Å; W129-R161 HydrophobicContact CH2-CB 4.35Å |
| 162 | I | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125.3 | -175.9 | -49 | 172.3 | 0 | 0 | 0 | 108.3 | L14 S16 L47 L49 I59 I80 I156 C160 V165 | L14-I162 HydrophobicContact CD1-CD1 4.49Å; L14-I162 HydrophobicContact CD1-CG2 4.3Å; L14-I162 HydrophobicContact CD2-CB 4.38Å; L14-I162 HydrophobicContact CD2-CG2 3.66Å; S16-I162 WeakPolarHBondContact CB-O 3.33Å; L47-I162 HydrophobicContact CB-CB 4.44Å; L47-I162 PolarHBondContact N-O 2.96Å; L47-I162 PolarHBondContact O-N 2.8Å; L49-I162 HydrophobicContact CD1-CD1 3.75Å; L49-I162 HydrophobicContact CD1-CG1 4.33Å; L49-I162 HydrophobicContact CD2-CD1 4.17Å; I59-I162 HydrophobicContact CD1-CD1 3.78Å; I80-I162 HydrophobicContact CG2-CG1 4.26Å; I80-I162 HydrophobicContact CG2-CG2 4.35Å; I156-I162 HydrophobicContact CB-CD1 4.26Å; I156-I162 HydrophobicContact CD1-CD1 4.08Å; I156-I162 HydrophobicContact CG2-CD1 3.71Å; C160-I162 VanDerWaalsContact SG-CG1 3.57Å; I162-V165 HydrophobicContact CG2-CG2 3.7Å |
| 163 | R | 96.5 | Very high | 95.1 | Very high | 29 Ų | 29 | 26.4 Ų | 26.4 | 11% | 0.109 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -48.2 | 171.4 | -178.1 | 70 | -176.3 | 88.7 | 6.6 | 111.1 | Y15 S16 V17 I79 W129 L183 | Y15-R163 VanDerWaalsContact CE2-CZ 3.46Å; Y15-R163 VanDerWaalsContact CE2-NH2 3.34Å; Y15-R163 PolarHBondContact OH-NH2 3.03Å; S16-R163 WeakPolarHBondContact CB-O 3.36Å; S16-R163 PolarHBondContact N-O 3.34Å; S16-R163 PolarHBondContact OG-NH1 3.03Å; S16-R163 PolarHBondContact OG-O 2.75Å; V17-R163 VanDerWaalsContact CG2-CZ 3.43Å; I79-R163 HydrophobicContact CB-CB 4.19Å; I79-R163 HydrophobicContact CG2-CB 3.92Å; I79-R163 HydrophobicContact CG2-CG 4.43Å; I79-R163 PolarHBondContact O-N 3.11Å; W129-R163 HydrophobicContact CE3-CB 4.43Å; W129-R163 HydrophobicContact CH2-CB 3.75Å; W129-R163 HydrophobicContact CZ3-CB 3.52Å; R163-L183 HydrophobicContact CG-CD1 4.32Å |
| 164 | R | 95.6 | Very high | 94.2 | Very high | 14 Ų | 14 | 28.4 Ų | 28.4 | 5% | 0.053 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 144.5 | -174.8 | -161.9 | -178.8 | -90.9 | -101.8 | -3.7 | 111.4 | L14 Y15 I79 Y166 E180 F181 | L14-R164 CarbonylContact O-C 3.59Å; L14-R164 VanDerWaalsContact O-CA 3.3Å; L14-R164 WeakPolarHBondContact O-CA 3.45Å; Y15-R164 HydrophobicContact CD2-CG 4.25Å; Y15-R164 VanDerWaalsContact CD2-NH2 3.29Å; I79-R164 HydrophobicContact CB-CB 4.44Å; I79-R164 HydrophobicContact CD1-CB 4.21Å; I79-R164 HydrophobicContact CG1-CB 4.47Å; I79-R164 PolarHBondContact N-O 3.02Å; R164-Y166 HydrophobicContact CG-CD1 3.86Å; R164-E180 VanDerWaalsContact CZ-O 3.25Å; R164-E180 PolarHBondContact NE-O 3.29Å; R164-E180 PolarHBondContact NH2-O 3.3Å; R164-F181 VanDerWaalsContact NH1-CZ 3.27Å |
| 165 | V | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 124.4 | 168.3 | -174.1 | 0 | 0 | 0 | 0 | 107.7 | S12 I13 L14 L76 V77 M78 I156 I162 | S12-V165 PolarHBondContact OG-O 3.41Å; I13-V165 HydrophobicContact CD1-CB 4.43Å; I13-V165 HydrophobicContact CD1-CG1 3.71Å; I13-V165 HydrophobicContact CG1-CB 3.96Å; I13-V165 HydrophobicContact CG1-CG1 3.65Å; I13-V165 PolarHBondContact N-O 3.12Å; L14-V165 HydrophobicContact CB-CB 3.92Å; L14-V165 HydrophobicContact CB-CG2 3.98Å; L14-V165 HydrophobicContact CD1-CG2 4.48Å; L14-V165 PolarHBondContact N-O 3.28Å; L14-V165 VanDerWaalsContact N-O 3.1Å; L14-V165 PolarHBondContact O-N 3.06Å; L76-V165 HydrophobicContact CD1-CG1 3.66Å; V77-V165 WeakPolarHBondContact O-CA 3.46Å; M78-V165 HydrophobicContact CG-CB 4.36Å; M78-V165 HydrophobicContact CG-CG1 3.79Å; M78-V165 HydrophobicContact CG-CG2 4.04Å; I156-V165 HydrophobicContact CD1-CG2 3.69Å; I162-V165 HydrophobicContact CG2-CG2 3.7Å |
| 166 | Y | 95.7 | Very high | 92.6 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 162.7 | -178.7 | 65.3 | -87.6 | 0 | 0 | 0 | 111.4 | F10 L11 V77 I79 R164 C168 F181 | F10-Y166 AromaticContact CD1-CD2 3.82Å; F10-Y166 HydrophobicContact CD1-CD2 3.82Å; F10-Y166 AromaticContact CD1-CE2 3.69Å; F10-Y166 HydrophobicContact CD1-CE2 3.69Å; F10-Y166 AromaticContact CE1-CE2 3.97Å; F10-Y166 HydrophobicContact CE1-CE2 3.97Å; L11-Y166 CarbonylContact O-C 3.59Å; L11-Y166 VanDerWaalsContact O-CA 3.23Å; L11-Y166 WeakPolarHBondContact O-CA 3.33Å; L11-Y166 WeakPolarHBondContact O-CB 3.36Å; V77-Y166 HydrophobicContact CB-CD1 4.24Å; V77-Y166 HydrophobicContact CB-CD2 4.16Å; V77-Y166 HydrophobicContact CB-CE1 3.81Å; V77-Y166 HydrophobicContact CB-CE2 3.7Å; V77-Y166 HydrophobicContact CB-CG 4.43Å; V77-Y166 HydrophobicContact CG1-CE1 3.7Å; V77-Y166 HydrophobicContact CG1-CE2 4.21Å; V77-Y166 WeakPolarHBondContact CG1-OH 3.32Å; V77-Y166 HydrophobicContact CG2-CE2 3.92Å; V77-Y166 PolarHBondContact N-O 2.83Å; V77-Y166 PolarHBondContact O-N 3.43Å; I79-Y166 HydrophobicContact CD1-CE1 4.44Å; R164-Y166 HydrophobicContact CG-CD1 3.86Å; Y166-C168 HydrophobicContact CD2-CB 4.48Å; Y166-C168 HydrophobicContact CE2-CB 4.39Å; Y166-F181 HydrophobicContact CD1-CD1 4.02Å; Y166-F181 HydrophobicContact CD1-CE1 4.09Å; Y166-F181 HydrophobicContact CD2-CD1 4.32Å; Y166-F181 HydrophobicContact CD2-CE1 4.04Å; Y166-F181 AromaticContact CE1-CD1 3.93Å; Y166-F181 HydrophobicContact CE1-CD1 3.93Å; Y166-F181 HydrophobicContact CE1-CE1 4.43Å; Y166-F181 HydrophobicContact CE2-CD1 4.26Å; Y166-F181 HydrophobicContact CE2-CE1 4.4Å; Y166-F181 HydrophobicContact CG-CD1 4.19Å; Y166-F181 AromaticContact CG-CE1 3.86Å; Y166-F181 HydrophobicContact CG-CE1 3.86Å |
| 167 | F | 96.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 151.7 | 170 | -67.6 | -105.1 | 0 | 0 | 0 | 110.4 | F10 L11 I13 I71 L73 F75 L76 L136 T151 V154 | F10-F167 CarbonylContact C-O 3.54Å; F10-F167 WeakPolarHBondContact CA-O 3.47Å; L11-F167 HydrophobicContact CB-CB 4.45Å; L11-F167 PolarHBondContact N-O 3.25Å; L11-F167 PolarHBondContact O-N 3.08Å; I13-F167 HydrophobicContact CD1-CE2 3.87Å; I13-F167 HydrophobicContact CG1-CE2 4.29Å; I13-F167 HydrophobicContact CG2-CD2 4.39Å; I13-F167 HydrophobicContact CG2-CE2 4.32Å; I71-F167 HydrophobicContact CD1-CD2 3.59Å; I71-F167 HydrophobicContact CD1-CE2 3.51Å; I71-F167 HydrophobicContact CD1-CG 4.28Å; I71-F167 HydrophobicContact CD1-CZ 4.12Å; I71-F167 HydrophobicContact CG2-CB 3.95Å; I71-F167 HydrophobicContact CG2-CD1 3.66Å; I71-F167 HydrophobicContact CG2-CD2 4.07Å; I71-F167 HydrophobicContact CG2-CE1 4.12Å; I71-F167 HydrophobicContact CG2-CG 3.64Å; L73-F167 HydrophobicContact CB-CB 3.73Å; L73-F167 HydrophobicContact CD1-CB 3.76Å; L73-F167 HydrophobicContact CG-CB 4.4Å; F75-F167 CarbonylContact O-C 3.57Å; F75-F167 WeakPolarHBondContact O-CA 3.17Å; F75-F167 WeakPolarHBondContact O-CB 3.2Å; L76-F167 HydrophobicContact CB-CD1 4.17Å; L76-F167 HydrophobicContact CB-CE1 3.88Å; L76-F167 HydrophobicContact CB-CZ 4.31Å; L76-F167 HydrophobicContact CD1-CD2 4.28Å; L76-F167 HydrophobicContact CD1-CE1 4.18Å; L76-F167 HydrophobicContact CD1-CE2 3.83Å; L76-F167 HydrophobicContact CD1-CZ 3.78Å; L76-F167 HydrophobicContact CG-CZ 4.47Å; L136-F167 HydrophobicContact CD1-CD1 4.33Å; L136-F167 HydrophobicContact CD1-CE1 3.75Å; T151-F167 HydrophobicContact CG2-CE1 4.23Å; T151-F167 HydrophobicContact CG2-CZ 3.89Å; V154-F167 HydrophobicContact CG2-CE2 4.44Å; V154-F167 HydrophobicContact CG2-CZ 4Å |
| 168 | C | 95.4 | Very high | 91 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 157.6 | 173.8 | 52 | 0 | 0 | 0 | 0 | 112.6 | G9 F10 P74 F75 Y166 R170 Y172 | G9-C168 WeakPolarHBondContact O-CA 3.16Å; G9-C168 WeakPolarHBondContact O-CB 3.33Å; F10-C168 HydrophobicContact CD1-CB 4.03Å; F10-C168 HydrophobicContact CE1-CB 4.26Å; P74-C168 WeakPolarHBondContact CD-O 3.48Å; F75-C168 PolarHBondContact N-O 3.16Å; F75-C168 PolarHBondContact O-N 3.06Å; Y166-C168 HydrophobicContact CD2-CB 4.48Å; Y166-C168 HydrophobicContact CE2-CB 4.39Å; C168-R170 WeakPolarHBondContact CB-O 3.15Å; C168-R170 PolarHBondContact SG-O 2.74Å; C168-Y172 HydrophobicContact CB-CD2 4.33Å; C168-Y172 HydrophobicContact CB-CE2 4.14Å |
| 169 | D | 93.5 | Very high | 90.3 | Very high | 60 Ų | 60 | 41.4 Ų | 41.4 | 32% | 0.321 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -74.6 | -34.7 | 177.5 | 51.7 | 4.4 | 0 | 0 | 0 | 112.5 | G9 L73 P74 F75 Y172 | G9-D169 PolarHBondContact N-OD2 3.28Å; G9-D169 PolarHBondContact O-N 3.02Å; L73-D169 HydrophobicContact CD2-CB 3.9Å; P74-D169 VanDerWaalsContact CG-O 3.31Å; P74-D169 WeakPolarHBondContact CG-O 3.39Å; F75-D169 WeakPolarHBondContact CE2-O 2.77Å; D169-Y172 WeakPolarHBondContact OD1-CE2 3.47Å; D169-Y172 PolarHBondContact OD1-OH 2.97Å; D169-Y172 VanDerWaalsContact OD1-OH 3.11Å |
| 170 | R | 92.5 | Very high | 89.5 | Confident | 129 Ų | 129 | 45.8 Ų | 45.8 | 49% | 0.487 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -137.3 | 165.5 | 174 | 67.9 | -174.4 | -166.9 | 175.5 | 10.9 | 111.5 | C168 Y172 E176 | C168-R170 WeakPolarHBondContact CB-O 3.15Å; C168-R170 PolarHBondContact SG-O 2.74Å; R170-Y172 HydrophobicContact CG-CD2 4.02Å; R170-Y172 HydrophobicContact CG-CE1 4.22Å; R170-Y172 HydrophobicContact CG-CE2 3.6Å; R170-Y172 WeakPolarHBondContact O-CD2 3.19Å; R170-Y172 WeakPolarHBondContact O-CE2 3.39Å; R170-E176 IonicContact CZ-OE1 3.8Å; R170-E176 IonicContact NH2-OE1 2.61Å; R170-E176 PolarHBondContact NH2-OE1 2.88Å |
| 171 | L | 90 | Very high | 88.5 | Confident | 76 Ų | 76 | 46.6 Ų | 46.6 | 40% | 0.398 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -77.6 | 125.3 | 168.6 | -63.6 | 175.9 | 0 | 0 | 0 | 108.7 | F75 Q133 | F75-L171 HydrophobicContact CB-CD2 4.19Å; F75-L171 HydrophobicContact CD1-CD1 4.27Å; F75-L171 HydrophobicContact CD1-CD2 3.57Å; F75-L171 HydrophobicContact CD1-CG 3.78Å; F75-L171 HydrophobicContact CD2-CG 4.48Å; F75-L171 HydrophobicContact CE1-CD1 3.93Å; F75-L171 HydrophobicContact CE1-CD2 4.05Å; F75-L171 HydrophobicContact CE1-CG 3.71Å; F75-L171 HydrophobicContact CE2-CG 4.48Å; F75-L171 HydrophobicContact CG-CD2 3.84Å; F75-L171 HydrophobicContact CG-CG 4.17Å; F75-L171 HydrophobicContact CZ-CG 4.1Å; Q133-L171 HydrophobicContact CB-CD2 4.12Å; Q133-L171 HydrophobicContact CG-CD2 4.14Å |
| 172 | Y | 86.6 | Confident | 87.6 | Confident | 43 Ų | 43 | 46.8 Ų | 46.8 | 17% | 0.169 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -99.8 | 141 | 177.4 | -69.6 | -95.3 | 0 | 0 | 0 | 109.6 | F10 C168 D169 R170 E176 | F10-Y172 HydrophobicContact CD1-CE2 4.5Å; F10-Y172 AromaticContact CE1-CD2 3.45Å; F10-Y172 HydrophobicContact CE1-CD2 3.45Å; F10-Y172 VanDerWaalsContact CE1-CD2 3.45Å; F10-Y172 AromaticContact CE1-CE2 3.74Å; F10-Y172 HydrophobicContact CE1-CE2 3.74Å; F10-Y172 HydrophobicContact CE1-CG 4.03Å; F10-Y172 HydrophobicContact CE2-CD1 4.49Å; F10-Y172 HydrophobicContact CE2-CD2 4.24Å; F10-Y172 HydrophobicContact CE2-CE1 4.22Å; F10-Y172 AromaticContact CE2-CE2 3.96Å; F10-Y172 HydrophobicContact CE2-CE2 3.96Å; F10-Y172 HydrophobicContact CE2-CG 4.48Å; F10-Y172 AromaticContact CE2-CZ 3.94Å; F10-Y172 AromaticContact CZ-CD1 3.88Å; F10-Y172 HydrophobicContact CZ-CD1 3.88Å; F10-Y172 AromaticContact CZ-CD2 3.27Å; F10-Y172 HydrophobicContact CZ-CD2 3.27Å; F10-Y172 HydrophobicContact CZ-CE1 4Å; F10-Y172 AromaticContact CZ-CE2 3.43Å; F10-Y172 HydrophobicContact CZ-CE2 3.43Å; F10-Y172 VanDerWaalsContact CZ-CE2 3.43Å; F10-Y172 AromaticContact CZ-CG 3.5Å; F10-Y172 HydrophobicContact CZ-CG 3.5Å; F10-Y172 AromaticContact CZ-CZ 3.78Å; C168-Y172 HydrophobicContact CB-CD2 4.33Å; C168-Y172 HydrophobicContact CB-CE2 4.14Å; D169-Y172 WeakPolarHBondContact OD1-CE2 3.47Å; D169-Y172 PolarHBondContact OD1-OH 2.97Å; D169-Y172 VanDerWaalsContact OD1-OH 3.11Å; R170-Y172 HydrophobicContact CG-CD2 4.02Å; R170-Y172 HydrophobicContact CG-CE1 4.22Å; R170-Y172 HydrophobicContact CG-CE2 3.6Å; R170-Y172 WeakPolarHBondContact O-CD2 3.19Å; R170-Y172 WeakPolarHBondContact O-CE2 3.39Å; Y172-E176 HydrophobicContact CD1-CB 4.01Å |
| 173 | S | 84.5 | Confident | 86.7 | Confident | 53 Ų | 53 | 49.1 Ų | 49.1 | 37% | 0.371 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 159.6 | 169.6 | 61.2 | 0 | 0 | 0 | 0 | 111.3 | S175 E176 L177 | S173-S175 PolarHBondContact O-N 3.05Å; S173-S175 VanDerWaalsContact O-N 3.16Å; S173-S175 PolarHBondContact OG-OG 3.47Å; S173-S175 VanDerWaalsContact OG-OG 3.09Å; S173-E176 PolarHBondContact N-OE2 3.07Å; S173-E176 PolarHBondContact O-N 2.88Å; S173-E176 VanDerWaalsContact OG-CG 3.29Å; S173-E176 WeakPolarHBondContact OG-CG 3.18Å; S173-E176 PolarHBondContact OG-OE2 3.35Å; S173-L177 PolarHBondContact O-N 3.14Å; S173-L177 VanDerWaalsContact O-N 3.08Å |
| 174 | E | 78.8 | Confident | 85.8 | Confident | 91 Ų | 91 | 54.5 Ų | 54.5 | 43% | 0.425 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.8 | 179.7 | -170.8 | 64.1 | -158.4 | 0 | 0 | 112.5 | K182 | E174-K182 WeakPolarHBondContact O-CE 3.29Å; E174-K182 PolarHBondContact O-NZ 2.75Å; E174-K182 WeakPolarHBondContact OE1-CB 3.44Å; E174-K182 WeakPolarHBondContact OE1-CG 3.36Å |
| 175 | S | 80.6 | Confident | 84.8 | Confident | 94 Ų | 94 | 59.2 Ų | 59.2 | 66% | 0.657 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -39.6 | 176.1 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | S173 K182 | S173-S175 PolarHBondContact O-N 3.05Å; S173-S175 VanDerWaalsContact O-N 3.16Å; S173-S175 PolarHBondContact OG-OG 3.47Å; S173-S175 VanDerWaalsContact OG-OG 3.09Å; S175-K182 PolarHBondContact O-NZ 3.09Å |
| 176 | E | 81.5 | Confident | 83.5 | Confident | 92 Ų | 92 | 61.8 Ų | 61.8 | 43% | 0.43 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -19.5 | -179.5 | -65.4 | 171.9 | 111.6 | 0 | 0 | 113.8 | R170 Y172 S173 | R170-E176 IonicContact CZ-OE1 3.8Å; R170-E176 IonicContact NH2-OE1 2.61Å; R170-E176 PolarHBondContact NH2-OE1 2.88Å; Y172-E176 HydrophobicContact CD1-CB 4.01Å; S173-E176 PolarHBondContact N-OE2 3.07Å; S173-E176 PolarHBondContact O-N 2.88Å; S173-E176 VanDerWaalsContact OG-CG 3.29Å; S173-E176 WeakPolarHBondContact OG-CG 3.18Å; S173-E176 PolarHBondContact OG-OE2 3.35Å |
| 177 | L | 81.6 | Confident | 82.1 | Confident | 7 Ų | 7 | 67.9 Ų | 67.9 | 4% | 0.037 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -61.1 | 133.2 | 177.4 | -75 | 179.2 | 0 | 0 | 0 | 109.9 | F10 S173 F181 K182 | F10-L177 HydrophobicContact CE1-CD2 3.74Å; F10-L177 HydrophobicContact CZ-CD2 3.83Å; S173-L177 PolarHBondContact O-N 3.14Å; S173-L177 VanDerWaalsContact O-N 3.08Å; L177-F181 HydrophobicContact CB-CB 4.28Å; L177-F181 HydrophobicContact CD2-CB 4.1Å; L177-K182 HydrophobicContact CB-CG 3.91Å; L177-K182 WeakPolarHBondContact O-CE 3.14Å |
| 178 | P | 81 | Confident | 80.1 | Confident | 34 Ų | 34 | 76.3 Ų | 76.3 | 22% | 0.221 | 39% | 0.392 | C | S | . | . | trans | -58.7 | 148 | 168.6 | -22.6 | 33 | 0 | 0 | 0 | 110.4 | F10 E180 F181 K182 | F10-P178 HydrophobicContact CE2-CG 4.08Å; P178-E180 HydrophobicContact CB-CG 4.44Å; P178-E180 WeakPolarHBondContact CB-OE1 3.33Å; P178-E180 WeakPolarHBondContact CB-OE2 2.97Å; P178-E180 PolarHBondContact O-N 2.71Å; P178-F181 HydrophobicContact CB-CD2 4.01Å; P178-F181 HydrophobicContact CG-CD2 4Å; P178-F181 HydrophobicContact CG-CE2 4.44Å; P178-F181 PolarHBondContact O-N 2.94Å; P178-K182 PolarHBondContact O-N 3.23Å | ||
| 179 | P | 78.9 | Confident | 77.8 | Confident | 86 Ų | 86 | 84.4 Ų | 84.4 | 56% | 0.558 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -50.8 | -34 | -176.9 | -28.4 | 35.4 | 0 | 0 | 0 | 114.2 | F181 K182 | P179-F181 PolarHBondContact O-N 2.64Å; P179-K182 PolarHBondContact O-N 2.97Å |
| 180 | E | 79.5 | Confident | 75.6 | Confident | 100 Ų | 100 | 91 Ų | 91 | 47% | 0.467 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -68.6 | -18.9 | 178.3 | 69.4 | -82 | -169.5 | 0 | 0 | 114.1 | R164 P178 | R164-E180 VanDerWaalsContact CZ-O 3.25Å; R164-E180 PolarHBondContact NE-O 3.29Å; R164-E180 PolarHBondContact NH2-O 3.3Å; P178-E180 HydrophobicContact CB-CG 4.44Å; P178-E180 WeakPolarHBondContact CB-OE1 3.33Å; P178-E180 WeakPolarHBondContact CB-OE2 2.97Å; P178-E180 PolarHBondContact O-N 2.71Å |
| 181 | F | 76.7 | Confident | 73.5 | Confident | 17 Ų | 17 | 91.1 Ų | 91.1 | 8% | 0.075 | 47% | 0.47 | C | S | . | . | G | 310 helix | trans | -94.7 | -15.9 | 175.7 | -72.8 | -97.6 | 0 | 0 | 0 | 113.7 | F10 R164 Y166 L177 P178 P179 | F10-F181 HydrophobicContact CB-CE1 3.82Å; F10-F181 HydrophobicContact CB-CE2 4.21Å; F10-F181 HydrophobicContact CB-CZ 3.45Å; F10-F181 VanDerWaalsContact CB-CZ 3.45Å; F10-F181 HydrophobicContact CD1-CD1 4.15Å; F10-F181 AromaticContact CD1-CE1 3.85Å; F10-F181 HydrophobicContact CD1-CE1 3.85Å; F10-F181 HydrophobicContact CD1-CZ 4.16Å; F10-F181 HydrophobicContact CD2-CE2 4.45Å; F10-F181 HydrophobicContact CD2-CZ 4.43Å; F10-F181 AromaticContact CG-CE1 3.96Å; F10-F181 HydrophobicContact CG-CE1 3.96Å; F10-F181 HydrophobicContact CG-CE2 4.22Å; F10-F181 AromaticContact CG-CZ 3.78Å; F10-F181 HydrophobicContact CG-CZ 3.78Å; R164-F181 VanDerWaalsContact NH1-CZ 3.27Å; Y166-F181 HydrophobicContact CD1-CD1 4.02Å; Y166-F181 HydrophobicContact CD1-CE1 4.09Å; Y166-F181 HydrophobicContact CD2-CD1 4.32Å; Y166-F181 HydrophobicContact CD2-CE1 4.04Å; Y166-F181 AromaticContact CE1-CD1 3.93Å; Y166-F181 HydrophobicContact CE1-CD1 3.93Å; Y166-F181 HydrophobicContact CE1-CE1 4.43Å; Y166-F181 HydrophobicContact CE2-CD1 4.26Å; Y166-F181 HydrophobicContact CE2-CE1 4.4Å; Y166-F181 HydrophobicContact CG-CD1 4.19Å; Y166-F181 AromaticContact CG-CE1 3.86Å; Y166-F181 HydrophobicContact CG-CE1 3.86Å; L177-F181 HydrophobicContact CB-CB 4.28Å; L177-F181 HydrophobicContact CD2-CB 4.1Å; P178-F181 HydrophobicContact CB-CD2 4.01Å; P178-F181 HydrophobicContact CG-CD2 4Å; P178-F181 HydrophobicContact CG-CE2 4.44Å; P178-F181 PolarHBondContact O-N 2.94Å; P179-F181 PolarHBondContact O-N 2.64Å |
| 182 | K | 78.9 | Confident | 71.5 | Confident | 51 Ų | 51 | 91.7 Ų | 91.7 | 22% | 0.222 | 49% | 0.486 | C | S | . | . | S | Bend | trans | -74 | 149.6 | 179.5 | -60 | -164.5 | -166.5 | -158.2 | 0 | 112.1 | E174 S175 L177 P178 P179 Y184 | E174-K182 WeakPolarHBondContact O-CE 3.29Å; E174-K182 PolarHBondContact O-NZ 2.75Å; E174-K182 WeakPolarHBondContact OE1-CB 3.44Å; E174-K182 WeakPolarHBondContact OE1-CG 3.36Å; S175-K182 PolarHBondContact O-NZ 3.09Å; L177-K182 HydrophobicContact CB-CG 3.91Å; L177-K182 WeakPolarHBondContact O-CE 3.14Å; P178-K182 PolarHBondContact O-N 3.23Å; P179-K182 PolarHBondContact O-N 2.97Å; K182-Y184 HydrophobicContact CB-CD2 4.48Å; K182-Y184 HydrophobicContact CB-CE2 3.84Å |
| 183 | L | 77.5 | Confident | 69.7 | Low | 50 Ų | 50 | 94.4 Ų | 94.4 | 26% | 0.262 | 52% | 0.517 | S | S | . | . | trans | -103.1 | 106.6 | 173.9 | -170.8 | 71.6 | 0 | 0 | 0 | 109.4 | I42 I79 W129 R163 | I42-L183 HydrophobicContact CD1-CD1 4.05Å; I42-L183 HydrophobicContact CG2-CD1 3.91Å; I42-L183 HydrophobicContact CG2-CD2 4.5Å; I42-L183 HydrophobicContact CG2-CG 4.21Å; I79-L183 HydrophobicContact CG2-CD1 4.4Å; I79-L183 HydrophobicContact CG2-CD2 4.35Å; W129-L183 HydrophobicContact CB-CD2 3.6Å; W129-L183 HydrophobicContact CD2-CD2 4.13Å; W129-L183 HydrophobicContact CE3-CD2 4.49Å; W129-L183 HydrophobicContact CG-CD2 3.74Å; R163-L183 HydrophobicContact CG-CD1 4.32Å | ||
| 184 | Y | 77.4 | Confident | 68.1 | Low | 141 Ų | 141 | 100.7 Ų | 100.7 | 55% | 0.553 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 119.6 | 175.3 | -60.2 | -81.5 | 0 | 0 | 0 | 110 | K182 | K182-Y184 HydrophobicContact CB-CD2 4.48Å; K182-Y184 HydrophobicContact CB-CE2 3.84Å |
| 185 | L | 75.6 | Confident | 67.5 | Low | 114 Ų | 114 | 101.2 Ų | 101.2 | 60% | 0.597 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 135.4 | 164.2 | -64.1 | 167.6 | 0 | 0 | 0 | 108 | I42 V187 | I42-L185 HydrophobicContact CG2-CD2 3.68Å; L185-V187 PolarHBondContact O-N 3.04Å |
| 186 | P | 71 | Confident | 66.9 | Low | 53 Ų | 53 | 101.6 Ų | 101.6 | 34% | 0.344 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -55.4 | 135.9 | 171 | -19.2 | 30.7 | 0 | 0 | 0 | 109.6 | D41 Q43 Q188 | D41-P186 WeakPolarHBondContact O-CD 2.86Å; Q43-P186 HydrophobicContact CG-CG 3.94Å; P186-Q188 PolarHBondContact O-N 3.41Å |
| 187 | V | 64.9 | Low | 66 | Low | 133 Ų | 133 | 102.1 Ų | 102.1 | 81% | 0.806 | 57% | 0.571 | S | S | * | * | trans | -61.7 | 113.2 | 167.5 | -179.1 | 0 | 0 | 0 | 0 | 106.1 | L185 Q189 | L185-V187 PolarHBondContact O-N 3.04Å; V187-Q189 VanDerWaalsContact C-N 3.27Å; V187-Q189 PolarHBondContact O-N 2.84Å | ||
| 188 | Q | 55 | Low | 65.1 | Low | 177 Ų | 177 | 107.7 Ų | 107.7 | 83% | 0.827 | 60% | 0.603 | S | S | * | * | trans | -61.2 | 100 | 164.3 | -76.5 | 177.5 | -11.7 | 0 | 0 | 105.9 | P186 K190 | P186-Q188 PolarHBondContact O-N 3.41Å; Q188-K190 PolarHBondContact O-N 2.84Å | ||
| 189 | Q | 48.7 | Very low | 64.1 | Low | 172 Ų | 172 | 112.3 Ų | 112.3 | 80% | 0.804 | 63% | 0.626 | S | S | * | * | trans | -56.5 | 104.2 | 158.7 | -85.3 | 179 | -20.3 | 0 | 0 | 104.4 | V187 V191 | V187-Q189 VanDerWaalsContact C-N 3.27Å; V187-Q189 PolarHBondContact O-N 2.84Å; Q189-V191 PolarHBondContact O-N 2.8Å | ||
| 190 | K | 47.1 | Very low | 63.1 | Low | 198 Ų | 198 | 114.1 Ų | 114.1 | 86% | 0.861 | 63% | 0.631 | S | S | * | * | trans | -56.3 | 101.3 | 162.4 | -73.5 | -174 | -179.7 | -177.9 | 0 | 104 | Q188 A192 | Q188-K190 PolarHBondContact O-N 2.84Å; K190-A192 PolarHBondContact O-N 2.96Å | ||
| 191 | V | 48.4 | Very low | 62 | Low | 131 Ų | 131 | 115.1 Ų | 115.1 | 79% | 0.794 | 64% | 0.643 | S | S | * | * | trans | -58.6 | 104 | 162.4 | -178.8 | 0 | 0 | 0 | 0 | 102.6 | Q189 A193 | Q189-V191 PolarHBondContact O-N 2.8Å; V191-A193 PolarHBondContact O-N 2.94Å | ||
| 192 | A | 47.1 | Very low | 60.8 | Low | 88 Ų | 88 | 122.6 Ų | 122.6 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | trans | -57 | 110.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 104.8 | K190 S194 | K190-A192 PolarHBondContact O-N 2.96Å; A192-S194 PolarHBondContact O-N 2.86Å | ||
| 193 | A | 48.4 | Very low | 59.3 | Low | 100 Ų | 100 | 128.6 Ų | 128.6 | 83% | 0.826 | 73% | 0.725 | S | S | * | * | trans | -60 | 107.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | V191 | V191-A193 PolarHBondContact O-N 2.94Š| ||
| 194 | S | 51.1 | Low | 57.7 | Low | 186 Ų | 186 | 135.7 Ų | 135.7 | 100% | 1.301 | 77% | 0.767 | S | S | * | * | trans | -70 | 0 | 166.2 | 55.9 | 0 | 0 | 0 | 0 | 109.9 | A192 | A192-S194 PolarHBondContact O-N 2.86Š|
Retrieved 194 of 194 residues in 305.3 ms
(Link to these results)