| 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 | 74.9 | Confident | 86.5 | Confident | 194 Ų | 194 | 75.8 Ų | 75.8 | 96% | 0.956 | 43% | 0.433 | S | S | * | . | 0 | 139.3 | 0 | -153.3 | 62.7 | 80.1 | 0 | 0 | 107.8 | F186 | M1-F186 HydrophobicContact SD-CD1 4.36Å; M1-F186 HydrophobicContact SD-CE1 4.11Å | |||
| 2 | N | 88.5 | Confident | 86.7 | Confident | 27 Ų | 27 | 69.5 Ų | 69.5 | 14% | 0.144 | 40% | 0.397 | C | S | . | . | trans | -128.1 | -169.3 | 177.6 | 60.1 | 25.5 | 0 | 0 | 0 | 109.5 | F4 G5 Q185 | N2-F4 PolarHBondContact O-N 3.31Å; N2-F4 PolarHBondContact OD1-N 2.85Å; N2-G5 PolarHBondContact O-N 3.32Å; N2-Q185 PolarHBondContact ND2-O 2.9Å | ||
| 3 | S | 84.9 | Confident | 86.9 | Confident | 63 Ų | 63 | 66.8 Ų | 66.8 | 44% | 0.441 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -1.6 | -178.3 | 45.5 | 0 | 0 | 0 | 0 | 115.4 | S229 | S3-S229 PolarHBondContact OG-OG 3.08Š|
| 4 | F | 89.2 | Confident | 86.9 | Confident | 13 Ų | 13 | 68.4 Ų | 68.4 | 6% | 0.057 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 13.6 | 178.7 | -50.5 | -59 | 0 | 0 | 0 | 112.9 | N2 D6 M7 F12 M16 Q185 W226 W230 | N2-F4 PolarHBondContact O-N 3.31Å; N2-F4 PolarHBondContact OD1-N 2.85Å; F4-D6 PolarHBondContact O-N 2.93Å; F4-M7 HydrophobicContact CB-SD 4.49Å; F4-M7 HydrophobicContact CD1-SD 3.71Å; F4-M7 PolarHBondContact O-N 3.44Å; F4-F12 HydrophobicContact CB-CD2 4.01Å; F4-F12 HydrophobicContact CB-CE2 4.1Å; F4-F12 HydrophobicContact CD1-CD2 4.06Å; F4-F12 AromaticContact CD1-CE2 3.98Å; F4-F12 HydrophobicContact CD1-CE2 3.98Å; F4-F12 HydrophobicContact CD2-CD2 4.34Å; F4-F12 AromaticContact CD2-CE2 3.62Å; F4-F12 HydrophobicContact CD2-CE2 3.62Å; F4-F12 HydrophobicContact CD2-CZ 4.48Å; F4-F12 HydrophobicContact CE1-CE2 4.32Å; F4-F12 AromaticContact CE2-CE2 3.99Å; F4-F12 HydrophobicContact CE2-CE2 3.99Å; F4-F12 AromaticContact CG-CD2 3.88Å; F4-F12 HydrophobicContact CG-CD2 3.88Å; F4-F12 AromaticContact CG-CE2 3.62Å; F4-F12 HydrophobicContact CG-CE2 3.62Å; F4-F12 HydrophobicContact CZ-CE2 4.32Å; F4-M16 HydrophobicContact CE1-CE 3.73Å; F4-M16 HydrophobicContact CE1-CG 4.36Å; F4-M16 HydrophobicContact CE1-SD 4.09Å; F4-M16 HydrophobicContact CZ-CE 3.8Å; F4-Q185 HydrophobicContact CB-CG 4.2Å; F4-Q185 PolarHBondContact O-NE2 3.35Å; F4-Q185 VanDerWaalsContact O-NE2 3.12Å; F4-W226 HydrophobicContact CE2-CB 3.94Å; F4-W226 HydrophobicContact CE2-CD2 4.25Å; F4-W226 HydrophobicContact CE2-CE3 4.05Å; F4-W226 HydrophobicContact CE2-CG 4.24Å; F4-W226 HydrophobicContact CZ-CB 3.79Å; F4-W226 HydrophobicContact CZ-CD2 4.38Å; F4-W226 HydrophobicContact CZ-CG 4.04Å; F4-W230 AromaticContact CD2-CD1 3.85Å; F4-W230 HydrophobicContact CE2-CB 4.19Å; F4-W230 AromaticContact CE2-CD1 3.62Å; F4-W230 HydrophobicContact CE2-CG 4.14Å |
| 5 | G | 87.7 | Confident | 87 | Confident | 40 Ų | 40 | 66.1 Ų | 66.1 | 41% | 0.412 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -17.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N2 | N2-G5 PolarHBondContact O-N 3.32Š|
| 6 | D | 89.1 | Confident | 87.4 | Confident | 142 Ų | 142 | 62.2 Ų | 62.2 | 76% | 0.759 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -8.4 | 177.7 | 61.9 | -24.5 | 0 | 0 | 0 | 113.5 | F4 | F4-D6 PolarHBondContact O-N 2.93Š|
| 7 | M | 88.2 | Confident | 87.6 | Confident | 34 Ų | 34 | 59.4 Ų | 59.4 | 17% | 0.167 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -85.1 | 134.3 | 176.3 | -65 | -178.3 | 77.2 | 0 | 0 | 110.9 | F4 E11 F12 | F4-M7 HydrophobicContact CB-SD 4.49Å; F4-M7 HydrophobicContact CD1-SD 3.71Å; F4-M7 PolarHBondContact O-N 3.44Å; M7-E11 HydrophobicContact CE-CB 4.37Å; M7-E11 HydrophobicContact CE-CG 3.7Å; M7-F12 HydrophobicContact CB-CB 4.48Å; M7-F12 HydrophobicContact SD-CD2 4.44Å |
| 8 | A | 87.2 | Confident | 88 | Confident | 54 Ų | 54 | 56.5 Ų | 56.5 | 45% | 0.446 | 33% | 0.33 | S | S | . | . | trans | -63.4 | 145.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | S10 E11 F12 | A8-S10 PolarHBondContact O-N 2.6Å; A8-S10 VanDerWaalsContact O-N 3.15Å; A8-E11 HydrophobicContact CB-CB 4.25Å; A8-E11 PolarHBondContact N-OE2 2.97Å; A8-E11 WeakPolarHBondContact O-CA 3.39Å; A8-E11 VanDerWaalsContact O-CB 3.31Å; A8-E11 WeakPolarHBondContact O-CB 3.17Å; A8-E11 PolarHBondContact O-N 2.98Å; A8-F12 PolarHBondContact O-N 3.11Å | ||
| 9 | Y | 86 | Confident | 88.4 | Confident | 88 Ų | 88 | 54.3 Ų | 54.3 | 35% | 0.345 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -52.5 | -40.9 | 179 | 164 | -96.8 | 0 | 0 | 0 | 112.9 | E11 F12 I13 S180 E182 | Y9-E11 VanDerWaalsContact C-N 3.35Å; Y9-E11 PolarHBondContact O-N 2.76Å; Y9-F12 WeakPolarHBondContact O-CB 3.45Å; Y9-F12 PolarHBondContact O-N 2.87Å; Y9-I13 HydrophobicContact CD2-CG1 4.06Å; Y9-I13 HydrophobicContact CE1-CG1 4.25Å; Y9-I13 HydrophobicContact CE2-CD1 3.95Å; Y9-I13 HydrophobicContact CE2-CG1 3.52Å; Y9-I13 WeakPolarHBondContact O-CG1 3.48Å; Y9-I13 PolarHBondContact O-N 2.9Å; Y9-S180 WeakPolarHBondContact CE2-O 3.26Å; Y9-S180 PolarHBondContact OH-O 3.48Å; Y9-E182 HydrophobicContact CD2-CG 3.77Å; Y9-E182 HydrophobicContact CE2-CG 4.45Å; Y9-E182 HydrophobicContact CG-CG 4.26Å |
| 10 | S | 86.9 | Confident | 88.7 | Confident | 86 Ų | 86 | 56.5 Ų | 56.5 | 60% | 0.601 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.9 | -38.3 | 177.3 | 54.1 | 0 | 0 | 0 | 0 | 112.9 | A8 S14 | A8-S10 PolarHBondContact O-N 2.6Å; A8-S10 VanDerWaalsContact O-N 3.15Å; S10-S14 WeakPolarHBondContact O-CB 3.27Å; S10-S14 PolarHBondContact O-N 3.3Å; S10-S14 PolarHBondContact O-OG 3.28Å |
| 11 | E | 89.3 | Confident | 88.6 | Confident | 93 Ų | 93 | 60.7 Ų | 60.7 | 44% | 0.435 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 176.3 | -174.2 | -169.5 | 178 | 0 | 0 | 110.9 | M7 A8 Y9 S14 T15 | M7-E11 HydrophobicContact CE-CB 4.37Å; M7-E11 HydrophobicContact CE-CG 3.7Å; A8-E11 HydrophobicContact CB-CB 4.25Å; A8-E11 PolarHBondContact N-OE2 2.97Å; A8-E11 WeakPolarHBondContact O-CA 3.39Å; A8-E11 VanDerWaalsContact O-CB 3.31Å; A8-E11 WeakPolarHBondContact O-CB 3.17Å; A8-E11 PolarHBondContact O-N 2.98Å; Y9-E11 VanDerWaalsContact C-N 3.35Å; Y9-E11 PolarHBondContact O-N 2.76Å; E11-S14 PolarHBondContact O-N 3.01Å; E11-S14 PolarHBondContact O-OG 3.04Å; E11-S14 VanDerWaalsContact O-OG 3.05Å; E11-T15 WeakPolarHBondContact O-CB 3.45Å; E11-T15 PolarHBondContact O-N 3.27Å; E11-T15 VanDerWaalsContact O-N 3.14Å; E11-T15 PolarHBondContact O-OG1 3.48Å |
| 12 | F | 89.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.5 | -51.3 | 176.3 | 176.9 | -99.8 | 0 | 0 | 0 | 111.4 | F4 M7 A8 Y9 S14 T15 M16 Q185 W226 | F4-F12 HydrophobicContact CB-CD2 4.01Å; F4-F12 HydrophobicContact CB-CE2 4.1Å; F4-F12 HydrophobicContact CD1-CD2 4.06Å; F4-F12 AromaticContact CD1-CE2 3.98Å; F4-F12 HydrophobicContact CD1-CE2 3.98Å; F4-F12 HydrophobicContact CD2-CD2 4.34Å; F4-F12 AromaticContact CD2-CE2 3.62Å; F4-F12 HydrophobicContact CD2-CE2 3.62Å; F4-F12 HydrophobicContact CD2-CZ 4.48Å; F4-F12 HydrophobicContact CE1-CE2 4.32Å; F4-F12 AromaticContact CE2-CE2 3.99Å; F4-F12 HydrophobicContact CE2-CE2 3.99Å; F4-F12 AromaticContact CG-CD2 3.88Å; F4-F12 HydrophobicContact CG-CD2 3.88Å; F4-F12 AromaticContact CG-CE2 3.62Å; F4-F12 HydrophobicContact CG-CE2 3.62Å; F4-F12 HydrophobicContact CZ-CE2 4.32Å; M7-F12 HydrophobicContact CB-CB 4.48Å; M7-F12 HydrophobicContact SD-CD2 4.44Å; A8-F12 PolarHBondContact O-N 3.11Å; Y9-F12 WeakPolarHBondContact O-CB 3.45Å; Y9-F12 PolarHBondContact O-N 2.87Å; F12-S14 PolarHBondContact O-N 3.41Å; F12-T15 PolarHBondContact O-N 3.46Å; F12-M16 HydrophobicContact CD2-CB 4.2Å; F12-M16 HydrophobicContact CD2-CG 3.61Å; F12-M16 HydrophobicContact CE2-CB 4.04Å; F12-M16 HydrophobicContact CE2-CG 3.73Å; F12-M16 HydrophobicContact CG-CG 4.35Å; F12-M16 HydrophobicContact CZ-CB 4.4Å; F12-M16 VanDerWaalsContact O-CB 3.28Å; F12-M16 WeakPolarHBondContact O-CB 3.49Å; F12-M16 WeakPolarHBondContact O-CG 3.29Å; F12-M16 PolarHBondContact O-N 2.89Å; F12-Q185 HydrophobicContact CD1-CB 4.11Å; F12-Q185 HydrophobicContact CD1-CG 3.95Å; F12-Q185 HydrophobicContact CD2-CG 3.98Å; F12-Q185 HydrophobicContact CE1-CB 3.73Å; F12-Q185 HydrophobicContact CE1-CG 3.86Å; F12-Q185 HydrophobicContact CE2-CG 3.88Å; F12-Q185 HydrophobicContact CG-CG 3.99Å; F12-Q185 HydrophobicContact CZ-CB 3.94Å; F12-Q185 HydrophobicContact CZ-CG 3.78Å; F12-W226 AromaticContact CE1-CH2 3.83Å; F12-W226 HydrophobicContact CE1-CH2 3.83Å; F12-W226 HydrophobicContact CE1-CZ2 4.4Å; F12-W226 HydrophobicContact CE1-CZ3 4.25Å; F12-W226 HydrophobicContact CE2-CE3 4.39Å; F12-W226 HydrophobicContact CE2-CH2 4.31Å; F12-W226 HydrophobicContact CE2-CZ3 4.26Å; F12-W226 HydrophobicContact CZ-CD2 4.46Å; F12-W226 AromaticContact CZ-CE3 3.96Å; F12-W226 HydrophobicContact CZ-CE3 3.96Å; F12-W226 AromaticContact CZ-CH2 3.31Å; F12-W226 HydrophobicContact CZ-CH2 3.31Å; F12-W226 AromaticContact CZ-CZ2 3.84Å; F12-W226 HydrophobicContact CZ-CZ2 3.84Å; F12-W226 AromaticContact CZ-CZ3 3.4Å; F12-W226 HydrophobicContact CZ-CZ3 3.4Å; F12-W226 VanDerWaalsContact CZ-CZ3 3.4Å |
| 13 | I | 88.7 | Confident | 87.9 | Confident | 34 Ų | 34 | 55 Ų | 55 | 17% | 0.174 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.5 | -36.8 | -179.4 | -63.3 | -56.6 | 0 | 0 | 0 | 112.3 | Y9 T15 N17 A179 | Y9-I13 HydrophobicContact CD2-CG1 4.06Å; Y9-I13 HydrophobicContact CE1-CG1 4.25Å; Y9-I13 HydrophobicContact CE2-CD1 3.95Å; Y9-I13 HydrophobicContact CE2-CG1 3.52Å; Y9-I13 WeakPolarHBondContact O-CG1 3.48Å; Y9-I13 PolarHBondContact O-N 2.9Å; I13-T15 VanDerWaalsContact C-N 3.27Å; I13-T15 PolarHBondContact O-N 3.43Å; I13-N17 VanDerWaalsContact CD1-ND2 3.28Å; I13-N17 WeakPolarHBondContact CD1-ND2 3.34Å; I13-N17 WeakPolarHBondContact O-CB 3.43Å; I13-A179 WeakPolarHBondContact CD1-O 3.41Å |
| 14 | S | 87.3 | Confident | 86.7 | Confident | 89 Ų | 89 | 62 Ų | 62 | 62% | 0.622 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -71.4 | -24.3 | 179.4 | 63.5 | 0 | 0 | 0 | 0 | 113.5 | S10 E11 F12 | S10-S14 WeakPolarHBondContact O-CB 3.27Å; S10-S14 PolarHBondContact O-N 3.3Å; S10-S14 PolarHBondContact O-OG 3.28Å; E11-S14 PolarHBondContact O-N 3.01Å; E11-S14 PolarHBondContact O-OG 3.04Å; E11-S14 VanDerWaalsContact O-OG 3.05Å; F12-S14 PolarHBondContact O-N 3.41Å |
| 15 | T | 88.4 | Confident | 85 | Confident | 34 Ų | 34 | 65.2 Ų | 65.2 | 21% | 0.209 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -107.4 | -40 | -167.8 | -50.1 | 0 | 0 | 0 | 0 | 112.6 | E11 F12 I13 A61 C62 G63 | E11-T15 WeakPolarHBondContact O-CB 3.45Å; E11-T15 PolarHBondContact O-N 3.27Å; E11-T15 VanDerWaalsContact O-N 3.14Å; E11-T15 PolarHBondContact O-OG1 3.48Å; F12-T15 PolarHBondContact O-N 3.46Å; I13-T15 VanDerWaalsContact C-N 3.27Å; I13-T15 PolarHBondContact O-N 3.43Å; T15-A61 HydrophobicContact CG2-CB 3.59Å; T15-C62 CarbonylContact O-C 3.53Å; T15-G63 PolarHBondContact O-N 3.27Å |
| 16 | M | 92.7 | Very high | 83.9 | Confident | 4 Ų | 4 | 68.7 Ų | 68.7 | 2% | 0.02 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -93.1 | -14.4 | -172.3 | -56.6 | -53.5 | -60.4 | 0 | 0 | 113.2 | F4 F12 Q59 K60 W226 | F4-M16 HydrophobicContact CE1-CE 3.73Å; F4-M16 HydrophobicContact CE1-CG 4.36Å; F4-M16 HydrophobicContact CE1-SD 4.09Å; F4-M16 HydrophobicContact CZ-CE 3.8Å; F12-M16 HydrophobicContact CD2-CB 4.2Å; F12-M16 HydrophobicContact CD2-CG 3.61Å; F12-M16 HydrophobicContact CE2-CB 4.04Å; F12-M16 HydrophobicContact CE2-CG 3.73Å; F12-M16 HydrophobicContact CG-CG 4.35Å; F12-M16 HydrophobicContact CZ-CB 4.4Å; F12-M16 VanDerWaalsContact O-CB 3.28Å; F12-M16 WeakPolarHBondContact O-CB 3.49Å; F12-M16 WeakPolarHBondContact O-CG 3.29Å; F12-M16 PolarHBondContact O-N 2.89Å; M16-Q59 HydrophobicContact CE-CG 4.08Å; M16-Q59 PolarHBondContact O-NE2 2.78Å; M16-K60 VanDerWaalsContact CE-O 3.31Å; M16-K60 WeakPolarHBondContact CE-O 2.95Å; M16-K60 VanDerWaalsContact SD-O 3.37Å; M16-W226 HydrophobicContact CB-CZ2 3.99Å; M16-W226 HydrophobicContact CE-CG 3.98Å; M16-W226 PolarHBondContact O-NE1 3.01Å |
| 17 | N | 91.7 | Very high | 82.6 | Confident | 15 Ų | 15 | 67.3 Ų | 67.3 | 8% | 0.08 | 37% | 0.369 | C | S | . | . | trans | -103.4 | 146.2 | 176.8 | -65 | -16.2 | 0 | 0 | 0 | 110 | I13 N203 | I13-N17 VanDerWaalsContact CD1-ND2 3.28Å; I13-N17 WeakPolarHBondContact CD1-ND2 3.34Å; I13-N17 WeakPolarHBondContact O-CB 3.43Å; N17-N203 HydrophobicContact CB-CB 4.28Å; N17-N203 WeakPolarHBondContact CB-O 3.46Å; N17-N203 PolarHBondContact ND2-ND2 2.98Å | ||
| 18 | G | 94.5 | Very high | 81.4 | Confident | 7 Ų | 7 | 74.5 Ų | 74.5 | 7% | 0.072 | 40% | 0.399 | C | S | . | . | trans | -158.5 | 3.9 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | K20 G63 C65 G107 G108 N203 | G18-K20 PolarHBondContact O-N 3.5Å; G18-G63 WeakPolarHBondContact CA-O 3.33Å; G18-C65 VanDerWaalsContact C-SG 3.51Å; G18-C65 VanDerWaalsContact CA-SG 3.57Å; G18-C65 PolarHBondContact N-SG 2.82Å; G18-G107 CarbonylContact O-C 3.51Å; G18-G107 WeakPolarHBondContact O-CA 3.25Å; G18-G108 PolarHBondContact O-N 3.16Å; G18-N203 PolarHBondContact N-O 2.97Å; G18-N203 VanDerWaalsContact N-O 3.12Å | ||
| 19 | Y | 96.3 | Very high | 80.5 | Confident | 15 Ų | 15 | 80.4 Ų | 80.4 | 6% | 0.059 | 42% | 0.423 | C | S | . | . | B | Isolated β-bridge | trans | -70.1 | 128 | 173.4 | 166.9 | -88.3 | 0 | 0 | 0 | 109.2 | R21 C65 G108 L109 M110 A176 L202 N203 A251 | Y19-R21 HydrophobicContact CE1-CB 3.9Å; Y19-C65 PolarHBondContact N-SG 2.87Å; Y19-G108 WeakPolarHBondContact CA-O 3.28Å; Y19-L109 HydrophobicContact CD2-CD1 3.94Å; Y19-L109 HydrophobicContact CE2-CD1 3.21Å; Y19-M110 HydrophobicContact CD2-CE 4.11Å; Y19-M110 HydrophobicContact CD2-SD 3.98Å; Y19-M110 HydrophobicContact CE2-CE 4.17Å; Y19-M110 HydrophobicContact CE2-SD 4.45Å; Y19-A176 HydrophobicContact CD1-CB 3.86Å; Y19-A176 HydrophobicContact CD2-CB 3.44Å; Y19-A176 VanDerWaalsContact CD2-CB 3.44Å; Y19-A176 HydrophobicContact CE1-CB 3.81Å; Y19-A176 HydrophobicContact CE2-CB 3.34Å; Y19-A176 HydrophobicContact CG-CB 3.68Å; Y19-L202 HydrophobicContact CD1-CB 3.96Å; Y19-L202 WeakPolarHBondContact CD1-O 3.41Å; Y19-L202 HydrophobicContact CE1-CB 3.73Å; Y19-L202 HydrophobicContact CE1-CD1 4.44Å; Y19-N203 WeakPolarHBondContact CB-O 3.44Å; Y19-N203 PolarHBondContact N-O 3.01Å; Y19-A251 HydrophobicContact CE2-CB 4.43Å; Y19-A251 VanDerWaalsContact OH-CB 3.3Å; Y19-A251 WeakPolarHBondContact OH-CB 3.44Å |
| 20 | K | 92.9 | Very high | 80.3 | Confident | 97 Ų | 97 | 77.7 Ų | 77.7 | 42% | 0.422 | 42% | 0.416 | S | S | . | . | trans | -123.5 | 110.9 | 175.7 | -76.4 | -173.4 | 166.1 | 175.4 | 0 | 109.5 | G18 L22 M103 N106 G108 | G18-K20 PolarHBondContact O-N 3.5Å; K20-L22 PolarHBondContact O-N 3.2Å; K20-M103 HydrophobicContact CD-SD 4.13Å; K20-N106 WeakPolarHBondContact CD-O 3.29Å; K20-N106 WeakPolarHBondContact CE-O 3.06Å; K20-N106 PolarHBondContact NZ-O 2.78Å; K20-G108 PolarHBondContact N-O 3.46Å | ||
| 21 | R | 86.6 | Confident | 80.5 | Confident | 146 Ų | 146 | 81.8 Ų | 81.8 | 55% | 0.551 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 135.8 | 174.9 | -168.7 | 171.4 | 67.9 | -171.6 | -1.8 | 110.2 | Y19 E200 | Y19-R21 HydrophobicContact CE1-CB 3.9Å; R21-E200 PolarHBondContact NH1-O 3.29Å; R21-E200 IonicContact NH1-OE2 3.67Å |
| 22 | L | 80.1 | Confident | 80.6 | Confident | 36 Ų | 36 | 81.4 Ų | 81.4 | 19% | 0.188 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 139.7 | 169.4 | -91.9 | 160.5 | 0 | 0 | 0 | 111.2 | K20 L26 K27 L109 | K20-L22 PolarHBondContact O-N 3.2Å; L22-L26 HydrophobicContact CD2-CB 3.73Å; L22-L26 HydrophobicContact CD2-CD1 3.86Å; L22-L26 HydrophobicContact CD2-CG 4.47Å; L22-K27 HydrophobicContact CD1-CG 4.35Å; L22-L109 HydrophobicContact CB-CD2 4.22Å; L22-L109 HydrophobicContact CD1-CD2 3.37Å; L22-L109 HydrophobicContact CG-CD2 3.63Å |
| 23 | A | 68.6 | Low | 80.7 | Confident | 64 Ų | 64 | 83.5 Ų | 83.5 | 53% | 0.529 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -60 | 143.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | G25 L26 | A23-G25 PolarHBondContact O-N 2.79Å; A23-L26 HydrophobicContact CB-CD1 4.03Å; A23-L26 PolarHBondContact O-N 3.18Å |
| 24 | K | 60 | Low | 80.4 | Confident | 212 Ų | 212 | 85 Ų | 85 | 92% | 0.922 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 129.4 | 176.7 | -80.6 | -176 | 175.4 | -179.8 | 0 | 109.6 | ||
| 25 | G | 54.7 | Low | 80.1 | Confident | 80 Ų | 80 | 82.3 Ų | 82.3 | 83% | 0.825 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.3 | -11.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | A23 | A23-G25 PolarHBondContact O-N 2.79Š|
| 26 | L | 63.1 | Low | 79.5 | Confident | 113 Ų | 113 | 88.8 Ų | 88.8 | 59% | 0.592 | 46% | 0.456 | S | S | * | . | trans | -88.7 | -12.5 | 177 | -69.3 | 173.7 | 0 | 0 | 0 | 114.1 | L22 A23 K28 | L22-L26 HydrophobicContact CD2-CB 3.73Å; L22-L26 HydrophobicContact CD2-CD1 3.86Å; L22-L26 HydrophobicContact CD2-CG 4.47Å; A23-L26 HydrophobicContact CB-CD1 4.03Å; A23-L26 PolarHBondContact O-N 3.18Å; L26-K28 PolarHBondContact O-N 2.9Å; L26-K28 VanDerWaalsContact O-N 3.16Å | ||
| 27 | K | 62.4 | Low | 78.3 | Confident | 113 Ų | 113 | 94.9 Ų | 94.9 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | trans | -70.6 | 109.6 | 175.6 | -78.6 | -159.8 | 168.4 | -155.1 | 0 | 109.6 | L22 D111 D154 | L22-K27 HydrophobicContact CD1-CG 4.35Å; K27-D111 IonicContact NZ-OD2 2.81Å; K27-D154 IonicContact NZ-OD2 3.84Å; K27-D154 PolarHBondContact NZ-OD2 2.66Å | ||
| 28 | K | 63.4 | Low | 77.3 | Confident | 184 Ų | 184 | 97.8 Ų | 97.8 | 80% | 0.8 | 53% | 0.532 | S | S | * | . | trans | -71.7 | 177.4 | 169 | -71.1 | -177.2 | 177.3 | 177.5 | 0 | 110.1 | L26 V30 | L26-K28 PolarHBondContact O-N 2.9Å; L26-K28 VanDerWaalsContact O-N 3.16Å; K28-V30 WeakPolarHBondContact O-CG2 3.41Å; K28-V30 PolarHBondContact O-N 3.03Å | ||
| 29 | N | 68.4 | Low | 76.3 | Confident | 178 Ų | 178 | 99.7 Ų | 99.7 | 95% | 0.952 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -58.1 | 80.1 | 177.2 | -71.8 | -25.1 | 0 | 0 | 0 | 112.1 | ||
| 30 | V | 81.4 | Confident | 75.8 | Confident | 32 Ų | 32 | 104.9 Ų | 104.9 | 19% | 0.194 | 59% | 0.586 | C | S | . | * | P | Polyproline II helix | trans | -81.5 | 138.8 | 177.3 | 176.2 | 0 | 0 | 0 | 0 | 109 | K28 V32 Y152 D154 | K28-V30 WeakPolarHBondContact O-CG2 3.41Å; K28-V30 PolarHBondContact O-N 3.03Å; V30-V32 PolarHBondContact O-N 2.96Å; V30-Y152 HydrophobicContact CB-CE2 4.25Å; V30-Y152 HydrophobicContact CG1-CD2 3.86Å; V30-Y152 HydrophobicContact CG1-CE2 3.45Å; V30-Y152 VanDerWaalsContact CG1-CE2 3.45Å; V30-Y152 HydrophobicContact CG2-CE2 3.66Å; V30-Y152 WeakPolarHBondContact CG2-OH 3.46Å; V30-D154 HydrophobicContact CG1-CB 3.99Å |
| 31 | R | 91.1 | Very high | 75.9 | Confident | 171 Ų | 171 | 101.6 Ų | 101.6 | 65% | 0.645 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -64.3 | 124.1 | 173.1 | -175.7 | 178.3 | -178.6 | -178.3 | 0.8 | 108.8 | A153 D154 | R31-A153 HydrophobicContact CB-CB 4.28Å; R31-A153 HydrophobicContact CG-CB 4.31Å; R31-A153 CarbonylContact O-C 3.45Å; R31-A153 WeakPolarHBondContact O-CA 3.31Å; R31-D154 PolarHBondContact O-N 2.65Å |
| 32 | V | 91 | Very high | 76.3 | Confident | 85 Ų | 85 | 98.4 Ų | 98.4 | 52% | 0.515 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.8 | 174.5 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | V30 A34 D154 M156 | V30-V32 PolarHBondContact O-N 2.96Å; V32-A34 PolarHBondContact O-N 2.82Å; V32-D154 CarbonylContact C-O 3.54Å; V32-D154 VanDerWaalsContact CA-O 3.29Å; V32-D154 WeakPolarHBondContact CA-O 3.28Å; V32-M156 HydrophobicContact CG1-CB 4.5Å |
| 33 | Y | 91.5 | Very high | 77 | Confident | 44 Ų | 44 | 105.5 Ų | 105.5 | 17% | 0.173 | 60% | 0.602 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.9 | 106.1 | 169.5 | -178.4 | -102.4 | 0 | 0 | 0 | 109.4 | P35 D154 I155 A166 I170 F254 | Y33-P35 HydrophobicContact CD1-CG 4.35Å; Y33-P35 HydrophobicContact CE1-CB 3.8Å; Y33-P35 HydrophobicContact CE1-CG 3.76Å; Y33-D154 PolarHBondContact N-O 3.22Å; Y33-I155 HydrophobicContact CD1-CG1 4.28Å; Y33-A166 HydrophobicContact CD1-CB 3.87Å; Y33-A166 HydrophobicContact CE1-CB 3.6Å; Y33-I170 HydrophobicContact CE2-CD1 4.43Å; Y33-I170 HydrophobicContact CE2-CG1 4.43Å; Y33-F254 HydrophobicContact CD1-CE1 4.44Å; Y33-F254 HydrophobicContact CD2-CE1 4.31Å; Y33-F254 AromaticContact CD2-CZ 3.94Å; Y33-F254 HydrophobicContact CD2-CZ 3.94Å; Y33-F254 AromaticContact CG-CE1 3.94Å; Y33-F254 HydrophobicContact CG-CE1 3.94Å; Y33-F254 HydrophobicContact CG-CZ 4.03Å |
| 34 | A | 82.7 | Confident | 78.4 | Confident | 65 Ų | 65 | 106.9 Ų | 106.9 | 54% | 0.537 | 60% | 0.6 | S | S | . | * | trans | -117.7 | 95.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | V32 M156 | V32-A34 PolarHBondContact O-N 2.82Å; A34-M156 HydrophobicContact CB-CE 4.23Å | ||
| 35 | P | 81.1 | Confident | 80.2 | Confident | 33 Ų | 33 | 97.5 Ų | 97.5 | 21% | 0.214 | 56% | 0.561 | C | S | . | * | P | Polyproline II helix | trans | -67.6 | 149.9 | -177.7 | 26.8 | -32.4 | 0 | 0 | 0 | 111.5 | Y33 S37 A162 L165 | Y33-P35 HydrophobicContact CD1-CG 4.35Å; Y33-P35 HydrophobicContact CE1-CB 3.8Å; Y33-P35 HydrophobicContact CE1-CG 3.76Å; P35-S37 PolarHBondContact O-N 2.97Å; P35-A162 HydrophobicContact CG-CB 4.17Å; P35-L165 HydrophobicContact CB-CB 3.9Å; P35-L165 HydrophobicContact CB-CD1 3.67Å; P35-L165 HydrophobicContact CB-CG 4.39Å; P35-L165 HydrophobicContact CG-CB 3.78Å; P35-L165 HydrophobicContact CG-CD1 3.42Å; P35-L165 VanDerWaalsContact CG-CD1 3.42Å; P35-L165 HydrophobicContact CG-CG 4.22Å |
| 36 | Q | 74.8 | Confident | 82.3 | Confident | 171 Ų | 171 | 94.8 Ų | 94.8 | 80% | 0.799 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 132.4 | 174 | -76.1 | -174 | -20.9 | 0 | 0 | 110.4 | G38 | Q36-G38 PolarHBondContact O-N 2.82Š|
| 37 | S | 68.4 | Low | 83.9 | Confident | 131 Ų | 131 | 90.7 Ų | 90.7 | 92% | 0.916 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 134.4 | 175.8 | -161.7 | 0 | 0 | 0 | 0 | 110.3 | P35 | P35-S37 PolarHBondContact O-N 2.97Š|
| 38 | G | 70.5 | Confident | 85.6 | Confident | 76 Ų | 76 | 89.4 Ų | 89.4 | 78% | 0.784 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.5 | 1.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q36 S40 | Q36-G38 PolarHBondContact O-N 2.82Å; G38-S40 PolarHBondContact O-N 3.26Å; G38-S40 VanDerWaalsContact O-N 3.16Å |
| 39 | A | 73 | Confident | 87.2 | Confident | 48 Ų | 48 | 88.9 Ų | 88.9 | 40% | 0.397 | 49% | 0.494 | S | S | . | . | trans | -60.5 | 118.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V41 L165 | A39-V41 PolarHBondContact O-N 3.13Å; A39-L165 HydrophobicContact CB-CD2 4.22Å | ||
| 40 | S | 87.1 | Confident | 88.5 | Confident | 124 Ų | 124 | 85.7 Ų | 85.7 | 87% | 0.867 | 48% | 0.476 | S | S | * | . | trans | -72.3 | 123.8 | 173.6 | -169.9 | 0 | 0 | 0 | 0 | 109.4 | G38 | G38-S40 PolarHBondContact O-N 3.26Å; G38-S40 VanDerWaalsContact O-N 3.16Å | ||
| 41 | V | 93.3 | Very high | 89.1 | Confident | 27 Ų | 27 | 85.6 Ų | 85.6 | 16% | 0.164 | 48% | 0.481 | C | S | . | . | trans | -121.8 | 156.3 | 175.2 | -66 | 0 | 0 | 0 | 0 | 110.4 | A39 M164 L165 A168 | A39-V41 PolarHBondContact O-N 3.13Å; V41-M164 HydrophobicContact CG2-CE 3.77Å; V41-M164 HydrophobicContact CG2-SD 4.5Å; V41-L165 HydrophobicContact CB-CD2 4.43Å; V41-L165 HydrophobicContact CG1-CD2 3.52Å; V41-L165 HydrophobicContact CG2-CD2 4.02Å; V41-A168 HydrophobicContact CB-CB 3.68Å; V41-A168 HydrophobicContact CG1-CB 3.54Å; V41-A168 HydrophobicContact CG2-CB 4.35Å | ||
| 42 | P | 95.8 | Very high | 89.4 | Confident | 80 Ų | 80 | 78.1 Ų | 78.1 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | trans | -54.3 | 142.5 | 176 | -25.4 | 35 | 0 | 0 | 0 | 111.7 | N44 V45 Y211 | P42-N44 PolarHBondContact O-N 3.02Å; P42-V45 HydrophobicContact CB-CG2 4.12Å; P42-V45 HydrophobicContact CG-CG2 4.37Å; P42-Y211 VanDerWaalsContact O-CE2 3.31Å; P42-Y211 WeakPolarHBondContact O-CE2 3.22Å; P42-Y211 PolarHBondContact O-OH 3.19Å | ||
| 43 | K | 94.7 | Very high | 89.8 | Confident | 184 Ų | 184 | 74.9 Ų | 74.9 | 80% | 0.8 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -62.6 | -28 | 177.5 | -68.4 | -176.9 | 178.5 | 178.8 | 0 | 113.1 | ||
| 44 | N | 97.2 | Very high | 90.1 | Very high | 94 Ų | 94 | 73 Ų | 73 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | trans | -135.9 | 138.2 | 178.2 | -55 | -83.4 | 0 | 0 | 0 | 108.8 | P42 Y211 G212 S213 | P42-N44 PolarHBondContact O-N 3.02Å; N44-Y211 CarbonylContact C-O 3.24Å; N44-Y211 WeakPolarHBondContact CA-O 3.47Å; N44-G212 WeakPolarHBondContact OD1-CA 3.36Å; N44-S213 PolarHBondContact OD1-N 2.63Å | ||
| 45 | V | 98.2 | Very high | 90.9 | Very high | 14 Ų | 14 | 75 Ų | 75 | 9% | 0.085 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 135.7 | 174.4 | 173.4 | 0 | 0 | 0 | 0 | 107.9 | P42 W47 V167 G210 Y211 | P42-V45 HydrophobicContact CB-CG2 4.12Å; P42-V45 HydrophobicContact CG-CG2 4.37Å; V45-W47 HydrophobicContact CG1-CD2 4.06Å; V45-W47 HydrophobicContact CG1-CG 4.28Å; V45-W47 HydrophobicContact CG1-CZ2 3.94Å; V45-V167 HydrophobicContact CG1-CG1 4.35Å; V45-G210 CarbonylContact O-C 3.36Å; V45-G210 WeakPolarHBondContact O-CA 3.24Å; V45-Y211 HydrophobicContact CB-CD1 4.15Å; V45-Y211 HydrophobicContact CB-CE1 3.81Å; V45-Y211 HydrophobicContact CG2-CE1 3.71Å; V45-Y211 HydrophobicContact CG2-CE2 4.17Å; V45-Y211 WeakPolarHBondContact CG2-OH 3.32Å; V45-Y211 PolarHBondContact N-O 3Å; V45-Y211 PolarHBondContact O-N 3.44Å; V45-Y211 VanDerWaalsContact O-O 3.09Å |
| 46 | D | 98.5 | Very high | 91.7 | Very high | 23 Ų | 23 | 74.5 Ų | 74.5 | 12% | 0.123 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 94.9 | 174.4 | -172.6 | -11.9 | 0 | 0 | 0 | 109.5 | R48 K49 I221 | D46-R48 PolarHBondContact O-N 2.97Å; D46-R48 VanDerWaalsContact OD1-CB 3.24Å; D46-R48 WeakPolarHBondContact OD1-CB 3.44Å; D46-R48 WeakPolarHBondContact OD1-CG 3.31Å; D46-R48 IonicContact OD1-CZ 2.75Å; D46-R48 PolarHBondContact OD1-N 2.82Å; D46-R48 IonicContact OD1-NE 3.62Å; D46-R48 PolarHBondContact OD1-NE 3.22Å; D46-R48 IonicContact OD1-NH2 3.53Å; D46-R48 IonicContact OD2-CZ 3.57Å; D46-R48 IonicContact OD2-NE 2.69Å; D46-R48 PolarHBondContact OD2-NE 2.99Å; D46-R48 IonicContact OD2-NH2 4Å; D46-R48 PolarHBondContact OD2-NH2 3.45Å; D46-K49 HydrophobicContact CB-CD 4.17Å; D46-K49 HydrophobicContact CB-CG 4.26Å; D46-K49 PolarHBondContact O-N 2.76Å; D46-K49 VanDerWaalsContact O-N 3.12Å; D46-K49 WeakPolarHBondContact OD2-CE 3.45Å; D46-I221 HydrophobicContact CB-CD1 3.92Å |
| 47 | W | 98.5 | Very high | 92.9 | Very high | 27 Ų | 27 | 67.9 Ų | 67.9 | 10% | 0.102 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -66.3 | -16.8 | -176 | -69.6 | 125 | 0 | 0 | 0 | 113.6 | V45 K49 L50 G51 L52 V53 V167 G171 P172 V209 | V45-W47 HydrophobicContact CG1-CD2 4.06Å; V45-W47 HydrophobicContact CG1-CG 4.28Å; V45-W47 HydrophobicContact CG1-CZ2 3.94Å; W47-K49 VanDerWaalsContact C-N 3.26Å; W47-K49 PolarHBondContact O-N 2.84Å; W47-L50 HydrophobicContact CE3-CB 4.02Å; W47-L50 HydrophobicContact CE3-CD1 3.62Å; W47-L50 HydrophobicContact CE3-CG 4.39Å; W47-L50 HydrophobicContact CH2-CD1 4.42Å; W47-L50 HydrophobicContact CZ3-CB 4.39Å; W47-L50 HydrophobicContact CZ3-CD1 3.44Å; W47-L50 VanDerWaalsContact CZ3-CD1 3.44Å; W47-L50 PolarHBondContact O-N 3.22Å; W47-G51 PolarHBondContact O-N 3.19Å; W47-L52 HydrophobicContact CB-CB 4.01Å; W47-L52 HydrophobicContact CD2-CD2 4.04Å; W47-L52 HydrophobicContact CE3-CB 4.29Å; W47-L52 HydrophobicContact CE3-CD1 4.01Å; W47-L52 HydrophobicContact CE3-CD2 3.62Å; W47-L52 HydrophobicContact CE3-CG 4.2Å; W47-L52 HydrophobicContact CG-CB 4.47Å; W47-L52 HydrophobicContact CZ3-CD1 4.34Å; W47-L52 HydrophobicContact CZ3-CD2 3.94Å; W47-L52 PolarHBondContact O-N 3.34Å; W47-L52 VanDerWaalsContact O-N 3.14Å; W47-V53 HydrophobicContact CB-CG2 3.76Å; W47-V167 WeakPolarHBondContact CZ2-O 3.35Å; W47-V167 PolarHBondContact NE1-O 2.91Å; W47-G171 VanDerWaalsContact NE1-C 3.34Å; W47-G171 PolarHBondContact NE1-O 2.97Å; W47-P172 HydrophobicContact CB-CG 4.14Å; W47-P172 HydrophobicContact CG-CG 4.24Å; W47-V209 VanDerWaalsContact CB-O 3.29Å; W47-V209 WeakPolarHBondContact CB-O 3.49Å; W47-V209 PolarHBondContact N-O 2.78Å |
| 48 | R | 98 | Very high | 94.3 | Very high | 87 Ų | 87 | 64.9 Ų | 64.9 | 33% | 0.328 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -63.2 | -36.8 | 173.7 | -53.4 | 172.7 | -63.5 | 179 | 1.7 | 110.9 | D46 L50 V53 V209 Y235 | D46-R48 PolarHBondContact O-N 2.97Å; D46-R48 VanDerWaalsContact OD1-CB 3.24Å; D46-R48 WeakPolarHBondContact OD1-CB 3.44Å; D46-R48 WeakPolarHBondContact OD1-CG 3.31Å; D46-R48 IonicContact OD1-CZ 2.75Å; D46-R48 PolarHBondContact OD1-N 2.82Å; D46-R48 IonicContact OD1-NE 3.62Å; D46-R48 PolarHBondContact OD1-NE 3.22Å; D46-R48 IonicContact OD1-NH2 3.53Å; D46-R48 IonicContact OD2-CZ 3.57Å; D46-R48 IonicContact OD2-NE 2.69Å; D46-R48 PolarHBondContact OD2-NE 2.99Å; D46-R48 IonicContact OD2-NH2 4Å; D46-R48 PolarHBondContact OD2-NH2 3.45Å; R48-L50 VanDerWaalsContact C-N 3.27Å; R48-L50 PolarHBondContact O-N 3.46Å; R48-V53 HydrophobicContact CG-CB 4.19Å; R48-V53 HydrophobicContact CG-CG1 4.29Å; R48-V53 HydrophobicContact CG-CG2 4.07Å; R48-V209 HydrophobicContact CG-CG2 4.07Å; R48-Y235 VanDerWaalsContact CD-CZ 3.46Å; R48-Y235 HydrophobicContact CG-CE1 4.12Å |
| 49 | K | 96.4 | Very high | 95.5 | Very high | 173 Ų | 173 | 61.2 Ų | 61.2 | 75% | 0.752 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -75.1 | -18.1 | 179.8 | -61.2 | -177.5 | -177.4 | 178.4 | 0 | 113.2 | D46 W47 | D46-K49 HydrophobicContact CB-CD 4.17Å; D46-K49 HydrophobicContact CB-CG 4.26Å; D46-K49 PolarHBondContact O-N 2.76Å; D46-K49 VanDerWaalsContact O-N 3.12Å; D46-K49 WeakPolarHBondContact OD2-CE 3.45Å; W47-K49 VanDerWaalsContact C-N 3.26Å; W47-K49 PolarHBondContact O-N 2.84Å |
| 50 | L | 94.6 | Very high | 96.5 | Very high | 111 Ų | 111 | 63.9 Ų | 63.9 | 58% | 0.581 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -105.2 | 6.1 | -177.5 | -63.6 | 177.8 | 0 | 0 | 0 | 112.8 | W47 R48 L52 | W47-L50 HydrophobicContact CE3-CB 4.02Å; W47-L50 HydrophobicContact CE3-CD1 3.62Å; W47-L50 HydrophobicContact CE3-CG 4.39Å; W47-L50 HydrophobicContact CH2-CD1 4.42Å; W47-L50 HydrophobicContact CZ3-CB 4.39Å; W47-L50 HydrophobicContact CZ3-CD1 3.44Å; W47-L50 VanDerWaalsContact CZ3-CD1 3.44Å; W47-L50 PolarHBondContact O-N 3.22Å; R48-L50 VanDerWaalsContact C-N 3.27Å; R48-L50 PolarHBondContact O-N 3.46Å; L50-L52 VanDerWaalsContact C-N 3.34Å; L50-L52 HydrophobicContact CB-CD1 4.12Å; L50-L52 VanDerWaalsContact O-CD1 3.29Å; L50-L52 WeakPolarHBondContact O-CD1 3.4Å; L50-L52 PolarHBondContact O-N 3.18Å |
| 51 | G | 95.1 | Very high | 96.9 | Very high | 29 Ų | 29 | 61.7 Ų | 61.7 | 30% | 0.299 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 13.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | W47 V53 M79 L85 | W47-G51 PolarHBondContact O-N 3.19Å; G51-V53 VanDerWaalsContact C-N 3.29Å; G51-M79 WeakPolarHBondContact O-CG 3.13Å; G51-L85 WeakPolarHBondContact O-CD2 3.41Å |
| 52 | L | 98 | Very high | 97 | Very high | 15 Ų | 15 | 60.5 Ų | 60.5 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | trans | -88.8 | 9 | 178.3 | -84.5 | 75.5 | 0 | 0 | 0 | 112.9 | W47 L50 G76 M79 R80 P172 | W47-L52 HydrophobicContact CB-CB 4.01Å; W47-L52 HydrophobicContact CD2-CD2 4.04Å; W47-L52 HydrophobicContact CE3-CB 4.29Å; W47-L52 HydrophobicContact CE3-CD1 4.01Å; W47-L52 HydrophobicContact CE3-CD2 3.62Å; W47-L52 HydrophobicContact CE3-CG 4.2Å; W47-L52 HydrophobicContact CG-CB 4.47Å; W47-L52 HydrophobicContact CZ3-CD1 4.34Å; W47-L52 HydrophobicContact CZ3-CD2 3.94Å; W47-L52 PolarHBondContact O-N 3.34Å; W47-L52 VanDerWaalsContact O-N 3.14Å; L50-L52 VanDerWaalsContact C-N 3.34Å; L50-L52 HydrophobicContact CB-CD1 4.12Å; L50-L52 VanDerWaalsContact O-CD1 3.29Å; L50-L52 WeakPolarHBondContact O-CD1 3.4Å; L50-L52 PolarHBondContact O-N 3.18Å; L52-G76 WeakPolarHBondContact O-CA 3.3Å; L52-M79 HydrophobicContact CD1-CG 4.24Å; L52-M79 HydrophobicContact CG-CB 4.42Å; L52-M79 HydrophobicContact CG-CG 4.13Å; L52-R80 HydrophobicContact CD2-CB 3.97Å; L52-R80 HydrophobicContact CD2-CG 4.48Å; L52-P172 HydrophobicContact CB-CG 4.34Å | ||
| 53 | V | 98.6 | Very high | 97.1 | Very high | 17 Ų | 17 | 56.9 Ų | 56.9 | 10% | 0.103 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -134 | 120.1 | -173.9 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | W47 R48 G51 P172 V209 K223 | W47-V53 HydrophobicContact CB-CG2 3.76Å; R48-V53 HydrophobicContact CG-CB 4.19Å; R48-V53 HydrophobicContact CG-CG1 4.29Å; R48-V53 HydrophobicContact CG-CG2 4.07Å; G51-V53 VanDerWaalsContact C-N 3.29Å; V53-P172 HydrophobicContact CG2-CG 4.2Å; V53-V209 HydrophobicContact CG1-CG1 4.01Å; V53-V209 HydrophobicContact CG2-CB 3.86Å; V53-V209 HydrophobicContact CG2-CG1 3.72Å; V53-K223 HydrophobicContact CG1-CD 3.78Å |
| 54 | T | 98.5 | Very high | 97.3 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 3% | 0.025 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 164.4 | 171.9 | 54.7 | 0 | 0 | 0 | 0 | 111.8 | E75 L85 K223 | T54-E75 WeakPolarHBondContact CB-OE2 3.24Å; T54-E75 HydrophobicContact CG2-CB 4.19Å; T54-E75 VanDerWaalsContact CG2-CD 3.45Å; T54-E75 HydrophobicContact CG2-CG 4.16Å; T54-E75 WeakPolarHBondContact CG2-OE2 3.09Å; T54-E75 PolarHBondContact OG1-OE2 2.9Å; T54-L85 HydrophobicContact CG2-CD1 3.97Å; T54-L85 HydrophobicContact CG2-CD2 4.05Å; T54-L85 HydrophobicContact CG2-CG 3.9Å; T54-K223 PolarHBondContact O-NZ 3.42Å; T54-K223 PolarHBondContact OG1-NZ 3.14Å |
| 55 | P | 98.5 | Very high | 97.3 | Very high | 106 Ų | 106 | 43.7 Ų | 43.7 | 69% | 0.688 | 24% | 0.236 | S | C | * | . | P | Polyproline II helix | trans | -50.8 | 153.3 | 170.7 | -27.3 | 36.2 | 0 | 0 | 0 | 113 | K57 K223 | P55-K57 PolarHBondContact O-N 3.12Å; P55-K223 WeakPolarHBondContact O-CE 3.43Å; P55-K223 PolarHBondContact O-NZ 3.05Å |
| 56 | V | 98.7 | Very high | 97.3 | Very high | 23 Ų | 23 | 43 Ų | 43 | 14% | 0.139 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -62.8 | 133.2 | 171.6 | 174.5 | 0 | 0 | 0 | 0 | 108.8 | K223 T228 Y235 | V56-K223 HydrophobicContact CG2-CG 4.27Å; V56-T228 HydrophobicContact CB-CG2 3.84Å; V56-T228 HydrophobicContact CG1-CG2 4.26Å; V56-Y235 HydrophobicContact CG2-CD2 4.1Å; V56-Y235 HydrophobicContact CG2-CE2 3.43Å; V56-Y235 VanDerWaalsContact CG2-CE2 3.43Å |
| 57 | K | 98.5 | Very high | 97.4 | Very high | 32 Ų | 32 | 41.9 Ų | 41.9 | 14% | 0.139 | 23% | 0.226 | C | C | . | . | trans | -106.7 | 175.6 | 176.2 | -58 | -173.6 | -177.9 | -177.7 | 0 | 110.4 | P55 F68 E75 S87 L88 E90 E126 S225 G227 | P55-K57 PolarHBondContact O-N 3.12Å; K57-F68 HydrophobicContact CB-CD1 3.82Å; K57-F68 HydrophobicContact CB-CE1 3.48Å; K57-F68 VanDerWaalsContact CB-CE1 3.48Å; K57-F68 HydrophobicContact CD-CD1 4.01Å; K57-F68 HydrophobicContact CD-CE1 3.72Å; K57-F68 HydrophobicContact CG-CE1 4.26Å; K57-E75 IonicContact NZ-OE1 3.52Å; K57-S87 VanDerWaalsContact CE-OG 3.23Å; K57-S87 WeakPolarHBondContact CE-OG 3.02Å; K57-S87 PolarHBondContact NZ-OG 3.04Å; K57-L88 PolarHBondContact NZ-O 3.48Å; K57-E90 WeakPolarHBondContact CD-OE1 3.48Å; K57-E90 WeakPolarHBondContact CD-OE2 3.49Å; K57-E90 IonicContact NZ-OE1 2.85Å; K57-E90 PolarHBondContact NZ-OE1 3.31Å; K57-E90 IonicContact NZ-OE2 3.74Å; K57-E90 PolarHBondContact NZ-OE2 3.35Å; K57-E126 IonicContact NZ-OE2 3.32Å; K57-E126 PolarHBondContact NZ-OE2 2.88Å; K57-S225 CarbonylContact O-C 3.59Å; K57-G227 WeakPolarHBondContact O-CA 3.38Å; K57-G227 PolarHBondContact O-N 3.28Å | ||
| 58 | D | 97.8 | Very high | 97.4 | Very high | 68 Ų | 68 | 41.5 Ų | 41.5 | 36% | 0.364 | 23% | 0.225 | S | C | . | . | B | Isolated β-bridge | trans | -130.5 | 117.5 | 179.6 | -166.7 | -21 | 0 | 0 | 0 | 110.4 | K60 Y131 S225 | D58-K60 PolarHBondContact O-N 3.42Å; D58-K60 PolarHBondContact OD1-N 3.47Å; D58-Y131 WeakPolarHBondContact O-CE1 3.21Å; D58-S225 CarbonylContact C-O 3.56Å; D58-S225 WeakPolarHBondContact CA-O 3.22Å |
| 59 | Q | 97.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -74.1 | -11.5 | 178.8 | 77.9 | -175.7 | 75.2 | 0 | 0 | 112.7 | M16 C62 F68 Y131 S225 W226 | M16-Q59 HydrophobicContact CE-CG 4.08Å; M16-Q59 PolarHBondContact O-NE2 2.78Å; Q59-C62 PolarHBondContact NE2-O 3.33Å; Q59-F68 VanDerWaalsContact CA-CE2 3.49Å; Q59-F68 HydrophobicContact CB-CD2 3.68Å; Q59-F68 HydrophobicContact CB-CE2 3.34Å; Q59-F68 HydrophobicContact CB-CZ 4.02Å; Q59-Y131 VanDerWaalsContact O-CE1 3.3Å; Q59-Y131 WeakPolarHBondContact O-CE1 3.02Å; Q59-Y131 PolarHBondContact O-OH 2.79Å; Q59-S225 WeakPolarHBondContact CB-O 3.35Å; Q59-S225 WeakPolarHBondContact CG-O 3.37Å; Q59-S225 PolarHBondContact N-O 3.06Å; Q59-S225 PolarHBondContact OE1-OG 3.16Å; Q59-W226 VanDerWaalsContact OE1-NE1 3.16Å | ||
| 60 | K | 94.2 | Very high | 97.5 | Very high | 103 Ų | 103 | 29.2 Ų | 29.2 | 45% | 0.448 | 18% | 0.175 | S | C | . | . | trans | 57 | -155.4 | -175.6 | -49.1 | 176.4 | -172.1 | 166.5 | 0 | 111.4 | M16 D58 C62 Y131 E132 | M16-K60 VanDerWaalsContact CE-O 3.31Å; M16-K60 WeakPolarHBondContact CE-O 2.95Å; M16-K60 VanDerWaalsContact SD-O 3.37Å; D58-K60 PolarHBondContact O-N 3.42Å; D58-K60 PolarHBondContact OD1-N 3.47Å; K60-C62 PolarHBondContact O-N 3.01Å; K60-Y131 HydrophobicContact CD-CE1 4.49Å; K60-Y131 HydrophobicContact CG-CE1 4.36Å; K60-E132 PolarHBondContact NZ-O 3.48Å; K60-E132 VanDerWaalsContact NZ-O 3.11Å | ||
| 61 | A | 93.9 | Very high | 97.7 | Very high | 78 Ų | 78 | 24 Ų | 24 | 65% | 0.645 | 15% | 0.147 | S | C | * | . | S | Bend | trans | -78.9 | 56.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T15 | T15-A61 HydrophobicContact CG2-CB 3.59Š|
| 62 | C | 96.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.02 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -143.9 | 131.1 | -179.2 | 167.8 | 0 | 0 | 0 | 0 | 109.3 | T15 Q59 K60 S64 C105 Y131 G133 | T15-C62 CarbonylContact O-C 3.53Å; Q59-C62 PolarHBondContact NE2-O 3.33Å; K60-C62 PolarHBondContact O-N 3.01Å; C62-S64 PolarHBondContact O-N 2.99Å; C62-S64 PolarHBondContact O-OG 3Å; C62-S64 VanDerWaalsContact SG-CB 3.51Å; C62-S64 PolarHBondContact SG-OG 2.75Å; C62-C105 HydrophobicContact CB-CB 3.94Å; C62-C105 WeakPolarHBondContact CB-SG 3.47Å; C62-C105 WeakPolarHBondContact SG-CA 3.06Å; C62-C105 WeakPolarHBondContact SG-CB 3.3Å; C62-C105 CovalentContact SG-SG 2.04Å; C62-C105 PolarHBondContact SG-SG 2.81Å; C62-Y131 PolarHBondContact SG-OH 3.02Å; C62-Y131 VanDerWaalsContact SG-OH 3.41Å; C62-G133 WeakPolarHBondContact CB-O 3.08Å |
| 63 | G | 97.1 | Very high | 97.9 | Very high | 4 Ų | 4 | 22 Ų | 22 | 4% | 0.041 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -74.2 | 49.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | T15 G18 W66 C105 G107 | T15-G63 PolarHBondContact O-N 3.27Å; G18-G63 WeakPolarHBondContact CA-O 3.33Å; G63-W66 VanDerWaalsContact O-CD1 3.31Å; G63-W66 PolarHBondContact O-NE1 2.87Å; G63-C105 WeakPolarHBondContact CA-O 3.44Å; G63-C105 PolarHBondContact N-O 3.39Å; G63-G107 VanDerWaalsContact O-CA 3.32Å; G63-G107 WeakPolarHBondContact O-CA 3.41Å; G63-G107 PolarHBondContact O-N 2.86Å |
| 64 | S | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -103.5 | 13.1 | -175.4 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | C62 W66 A67 F68 Y131 | C62-S64 PolarHBondContact O-N 2.99Å; C62-S64 PolarHBondContact O-OG 3Å; C62-S64 VanDerWaalsContact SG-CB 3.51Å; C62-S64 PolarHBondContact SG-OG 2.75Å; S64-W66 PolarHBondContact O-N 3.09Å; S64-A67 WeakPolarHBondContact O-CA 3.45Å; S64-A67 VanDerWaalsContact O-CB 3.3Å; S64-A67 WeakPolarHBondContact O-CB 3.48Å; S64-A67 PolarHBondContact O-N 3.43Å; S64-F68 WeakPolarHBondContact O-CD2 3.42Å; S64-F68 PolarHBondContact O-N 2.86Å; S64-F68 WeakPolarHBondContact OG-CE2 3.21Å; S64-Y131 PolarHBondContact OG-OH 2.87Å | ||
| 65 | C | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -48.5 | -32.9 | 177.4 | 64.2 | 0 | 0 | 0 | 0 | 113.7 | G18 Y19 A67 F68 S69 H204 G205 | G18-C65 VanDerWaalsContact C-SG 3.51Å; G18-C65 VanDerWaalsContact CA-SG 3.57Å; G18-C65 PolarHBondContact N-SG 2.82Å; Y19-C65 PolarHBondContact N-SG 2.87Å; C65-A67 VanDerWaalsContact C-N 3.32Å; C65-A67 PolarHBondContact O-N 2.56Å; C65-F68 PolarHBondContact O-N 2.85Å; C65-S69 WeakPolarHBondContact O-CB 3.24Å; C65-S69 PolarHBondContact O-N 2.78Å; C65-H204 WeakPolarHBondContact CB-CE1 3.11Å; C65-H204 VanDerWaalsContact CB-ND1 3.27Å; C65-H204 WeakPolarHBondContact CB-ND1 3.43Å; C65-G205 WeakPolarHBondContact CB-O 3.38Å; C65-G205 PolarHBondContact SG-N 3.25Å |
| 66 | W | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.6 | -36.9 | 175.4 | 63.4 | -90.4 | 0 | 0 | 0 | 112.2 | G63 S64 A70 L93 V94 S97 N102 G104 G107 G108 M110 A113 | G63-W66 VanDerWaalsContact O-CD1 3.31Å; G63-W66 PolarHBondContact O-NE1 2.87Å; S64-W66 PolarHBondContact O-N 3.09Å; W66-A70 WeakPolarHBondContact O-CB 3.08Å; W66-A70 PolarHBondContact O-N 3.29Å; W66-L93 HydrophobicContact CH2-CB 3.93Å; W66-L93 HydrophobicContact CZ3-CB 3.89Å; W66-V94 HydrophobicContact CZ2-CG2 4.42Å; W66-S97 VanDerWaalsContact CH2-OG 3.28Å; W66-S97 WeakPolarHBondContact CH2-OG 3.39Å; W66-N102 HydrophobicContact CH2-CB 3.6Å; W66-N102 HydrophobicContact CZ2-CB 3.84Å; W66-N102 HydrophobicContact CZ3-CB 3.98Å; W66-N102 WeakPolarHBondContact CZ3-ND2 3.46Å; W66-G104 PolarHBondContact NE1-O 2.77Å; W66-G104 VanDerWaalsContact NE1-O 3.1Å; W66-G107 VanDerWaalsContact NE1-C 3.33Å; W66-G108 WeakPolarHBondContact CB-O 3.37Å; W66-G108 VanDerWaalsContact CG-C 3.48Å; W66-M110 HydrophobicContact CB-SD 4.15Å; W66-M110 WeakPolarHBondContact O-CG 3.37Å; W66-A113 HydrophobicContact CE3-CB 4.16Å; W66-A113 HydrophobicContact CZ3-CB 3.93Å |
| 67 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.8 | -46.4 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | S64 C65 S69 A70 T71 E90 L93 V94 | S64-A67 WeakPolarHBondContact O-CA 3.45Å; S64-A67 VanDerWaalsContact O-CB 3.3Å; S64-A67 WeakPolarHBondContact O-CB 3.48Å; S64-A67 PolarHBondContact O-N 3.43Å; C65-A67 VanDerWaalsContact C-N 3.32Å; C65-A67 PolarHBondContact O-N 2.56Å; A67-S69 VanDerWaalsContact C-N 3.35Å; A67-S69 PolarHBondContact O-N 2.83Å; A67-A70 PolarHBondContact O-N 3.43Å; A67-T71 PolarHBondContact O-N 2.74Å; A67-T71 PolarHBondContact O-OG1 3.33Å; A67-T71 VanDerWaalsContact O-OG1 3.07Å; A67-E90 HydrophobicContact CB-CB 3.97Å; A67-E90 HydrophobicContact CB-CG 4.16Å; A67-L93 HydrophobicContact CB-CB 3.97Å; A67-L93 HydrophobicContact CB-CD1 3.98Å; A67-V94 HydrophobicContact CB-CG2 4.34Å |
| 68 | F | 98.9 | Very high | 97.9 | Very high | 19 Ų | 19 | 15.4 Ų | 15.4 | 8% | 0.083 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63 | -38 | 176.9 | -74.5 | -85.7 | 0 | 0 | 0 | 113.3 | K57 Q59 S64 C65 T71 G72 E90 Y131 | K57-F68 HydrophobicContact CB-CD1 3.82Å; K57-F68 HydrophobicContact CB-CE1 3.48Å; K57-F68 VanDerWaalsContact CB-CE1 3.48Å; K57-F68 HydrophobicContact CD-CD1 4.01Å; K57-F68 HydrophobicContact CD-CE1 3.72Å; K57-F68 HydrophobicContact CG-CE1 4.26Å; Q59-F68 VanDerWaalsContact CA-CE2 3.49Å; Q59-F68 HydrophobicContact CB-CD2 3.68Å; Q59-F68 HydrophobicContact CB-CE2 3.34Å; Q59-F68 HydrophobicContact CB-CZ 4.02Å; S64-F68 WeakPolarHBondContact O-CD2 3.42Å; S64-F68 PolarHBondContact O-N 2.86Å; S64-F68 WeakPolarHBondContact OG-CE2 3.21Å; C65-F68 PolarHBondContact O-N 2.85Å; F68-T71 WeakPolarHBondContact CA-OG1 3.4Å; F68-T71 PolarHBondContact O-OG1 2.6Å; F68-T71 VanDerWaalsContact O-OG1 3.12Å; F68-G72 PolarHBondContact O-N 3.34Å; F68-E90 HydrophobicContact CB-CG 4.29Å; F68-E90 VanDerWaalsContact CD1-CD 3.49Å; F68-E90 HydrophobicContact CD1-CG 3.58Å; F68-E90 HydrophobicContact CD2-CB 4.37Å; F68-E90 HydrophobicContact CD2-CG 3.87Å; F68-E90 HydrophobicContact CE1-CB 4.32Å; F68-E90 VanDerWaalsContact CE1-CD 3.45Å; F68-E90 HydrophobicContact CE1-CG 3.68Å; F68-E90 WeakPolarHBondContact CE1-OE2 3.39Å; F68-E90 HydrophobicContact CE2-CB 4.06Å; F68-E90 HydrophobicContact CE2-CG 3.95Å; F68-E90 HydrophobicContact CG-CG 3.67Å; F68-E90 HydrophobicContact CZ-CB 4.04Å; F68-E90 HydrophobicContact CZ-CG 3.86Å; F68-Y131 HydrophobicContact CE2-CD2 4.24Å; F68-Y131 HydrophobicContact CE2-CE1 4.02Å; F68-Y131 AromaticContact CE2-CE2 3.69Å; F68-Y131 HydrophobicContact CE2-CE2 3.69Å; F68-Y131 AromaticContact CE2-CZ 3.55Å; F68-Y131 AromaticContact CZ-CD1 3.81Å; F68-Y131 HydrophobicContact CZ-CD1 3.81Å; F68-Y131 AromaticContact CZ-CD2 3.89Å; F68-Y131 HydrophobicContact CZ-CD2 3.89Å; F68-Y131 AromaticContact CZ-CE1 3.69Å; F68-Y131 HydrophobicContact CZ-CE1 3.69Å; F68-Y131 AromaticContact CZ-CE2 3.77Å; F68-Y131 HydrophobicContact CZ-CE2 3.77Å; F68-Y131 AromaticContact CZ-CG 3.9Å; F68-Y131 HydrophobicContact CZ-CG 3.9Å; F68-Y131 AromaticContact CZ-CZ 3.66Å |
| 69 | S | 98.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.014 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.9 | -42 | 174.5 | -179 | 0 | 0 | 0 | 0 | 111.1 | C65 A67 S73 M110 S174 V206 | C65-S69 WeakPolarHBondContact O-CB 3.24Å; C65-S69 PolarHBondContact O-N 2.78Å; A67-S69 VanDerWaalsContact C-N 3.35Å; A67-S69 PolarHBondContact O-N 2.83Å; S69-S73 WeakPolarHBondContact O-CB 3.45Å; S69-S73 PolarHBondContact O-N 3.37Å; S69-M110 WeakPolarHBondContact OG-CG 3.35Å; S69-S174 PolarHBondContact O-OG 2.96Å; S69-S174 WeakPolarHBondContact OG-CA 3.39Å; S69-S174 VanDerWaalsContact OG-CB 3.23Å; S69-S174 WeakPolarHBondContact OG-CB 3.29Å; S69-S174 PolarHBondContact OG-OG 2.7Å; S69-V206 PolarHBondContact OG-O 2.88Å |
| 70 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.9 | -50.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | W66 A67 G72 S73 L74 L93 M110 A113 F114 | W66-A70 WeakPolarHBondContact O-CB 3.08Å; W66-A70 PolarHBondContact O-N 3.29Å; A67-A70 PolarHBondContact O-N 3.43Å; A70-G72 PolarHBondContact O-N 2.76Å; A70-S73 PolarHBondContact O-N 3.24Å; A70-L74 PolarHBondContact O-N 2.04Å; A70-L93 HydrophobicContact CB-CD1 4.14Å; A70-M110 HydrophobicContact CB-CB 4.18Å; A70-M110 HydrophobicContact CB-CG 4.28Å; A70-A113 HydrophobicContact CB-CB 3.65Å; A70-F114 HydrophobicContact CB-CD1 4.37Å; A70-F114 HydrophobicContact CB-CE1 3.76Å; A70-F114 HydrophobicContact CB-CZ 4.05Å; A70-F114 WeakPolarHBondContact O-CE1 3.39Å |
| 71 | T | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.006 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.4 | -51.4 | 176.4 | 50.8 | 0 | 0 | 0 | 0 | 110.2 | A67 F68 S73 L74 E75 L88 E90 L93 I123 | A67-T71 PolarHBondContact O-N 2.74Å; A67-T71 PolarHBondContact O-OG1 3.33Å; A67-T71 VanDerWaalsContact O-OG1 3.07Å; F68-T71 WeakPolarHBondContact CA-OG1 3.4Å; F68-T71 PolarHBondContact O-OG1 2.6Å; F68-T71 VanDerWaalsContact O-OG1 3.12Å; T71-S73 PolarHBondContact O-N 3.05Å; T71-S73 VanDerWaalsContact O-N 3.13Å; T71-L74 CarbonylContact O-C 3.56Å; T71-L74 PolarHBondContact O-N 3.36Å; T71-E75 WeakPolarHBondContact O-CB 3.18Å; T71-E75 WeakPolarHBondContact O-CG 3.1Å; T71-E75 PolarHBondContact O-N 2.87Å; T71-L88 HydrophobicContact CG2-CB 4.05Å; T71-E90 WeakPolarHBondContact CB-OE1 3.45Å; T71-E90 HydrophobicContact CG2-CG 3.84Å; T71-E90 PolarHBondContact OG1-OE1 2.96Å; T71-L93 HydrophobicContact CG2-CD1 3.82Å; T71-I123 HydrophobicContact CG2-CD1 4.11Å |
| 72 | G | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 22 Ų | 22 | 3% | 0.031 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.9 | -33.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F68 A70 G76 | F68-G72 PolarHBondContact O-N 3.34Å; A70-G72 PolarHBondContact O-N 2.76Å; G72-G76 PolarHBondContact O-N 2.65Å |
| 73 | S | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -71.7 | -46.8 | 175.1 | -168.1 | 0 | 0 | 0 | 0 | 111.1 | S69 A70 T71 G76 Q77 P172 S174 P255 | S69-S73 WeakPolarHBondContact O-CB 3.45Å; S69-S73 PolarHBondContact O-N 3.37Å; A70-S73 PolarHBondContact O-N 3.24Å; T71-S73 PolarHBondContact O-N 3.05Å; T71-S73 VanDerWaalsContact O-N 3.13Å; S73-G76 PolarHBondContact O-N 2.59Å; S73-Q77 WeakPolarHBondContact O-CG 3.36Å; S73-Q77 PolarHBondContact O-N 3.28Å; S73-P172 PolarHBondContact OG-O 3.17Å; S73-S174 WeakPolarHBondContact CB-OG 3.31Å; S73-P255 WeakPolarHBondContact OG-CD 3.12Å |
| 74 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.9 | -39.8 | 177.7 | -177.8 | 57.5 | 0 | 0 | 0 | 112.7 | A70 T71 G76 Q77 H78 L88 I117 I123 A147 D149 P255 V257 | A70-L74 PolarHBondContact O-N 2.04Å; T71-L74 CarbonylContact O-C 3.56Å; T71-L74 PolarHBondContact O-N 3.36Å; L74-G76 VanDerWaalsContact C-N 3.32Å; L74-G76 PolarHBondContact O-N 3.33Å; L74-Q77 PolarHBondContact O-N 2.74Å; L74-H78 WeakPolarHBondContact O-CB 3.42Å; L74-H78 PolarHBondContact O-N 2.93Å; L74-L88 HydrophobicContact CB-CD1 3.96Å; L74-L88 HydrophobicContact CD2-CD1 3.67Å; L74-L88 HydrophobicContact CG-CD1 3.63Å; L74-I117 HydrophobicContact CD2-CD1 3.6Å; L74-I117 HydrophobicContact CD2-CG2 4.15Å; L74-I123 HydrophobicContact CD2-CG2 3.84Å; L74-A147 HydrophobicContact CD2-CB 4.13Å; L74-A147 HydrophobicContact CG-CB 4.21Å; L74-D149 HydrophobicContact CD1-CB 4.47Å; L74-P255 HydrophobicContact CB-CG 3.9Å; L74-P255 HydrophobicContact CD1-CB 4.04Å; L74-P255 HydrophobicContact CD1-CG 3.96Å; L74-V257 HydrophobicContact CD1-CG2 3.56Å |
| 75 | E | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.9 | -46.7 | 174.6 | -69.9 | 173.6 | 162.5 | 0 | 0 | 111.2 | T54 K57 T71 H78 M79 L85 V86 S87 L88 | T54-E75 WeakPolarHBondContact CB-OE2 3.24Å; T54-E75 HydrophobicContact CG2-CB 4.19Å; T54-E75 VanDerWaalsContact CG2-CD 3.45Å; T54-E75 HydrophobicContact CG2-CG 4.16Å; T54-E75 WeakPolarHBondContact CG2-OE2 3.09Å; T54-E75 PolarHBondContact OG1-OE2 2.9Å; K57-E75 IonicContact NZ-OE1 3.52Å; T71-E75 WeakPolarHBondContact O-CB 3.18Å; T71-E75 WeakPolarHBondContact O-CG 3.1Å; T71-E75 PolarHBondContact O-N 2.87Å; E75-H78 PolarHBondContact O-N 3.38Å; E75-M79 WeakPolarHBondContact O-CB 3.38Å; E75-M79 PolarHBondContact O-N 2.77Å; E75-L85 HydrophobicContact CB-CD1 4.45Å; E75-V86 VanDerWaalsContact CG-O 3.31Å; E75-V86 WeakPolarHBondContact CG-O 3.47Å; E75-S87 WeakPolarHBondContact OE1-CA 3.36Å; E75-L88 HydrophobicContact CG-CB 4.12Å; E75-L88 HydrophobicContact CG-CD1 3.83Å; E75-L88 HydrophobicContact CG-CG 3.73Å; E75-L88 PolarHBondContact OE1-N 3.03Å |
| 76 | G | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.5 | -42 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L52 G72 S73 L74 R80 | L52-G76 WeakPolarHBondContact O-CA 3.3Å; G72-G76 PolarHBondContact O-N 2.65Å; S73-G76 PolarHBondContact O-N 2.59Å; L74-G76 VanDerWaalsContact C-N 3.32Å; L74-G76 PolarHBondContact O-N 3.33Å; G76-R80 WeakPolarHBondContact O-CB 3.49Å; G76-R80 PolarHBondContact O-N 2.97Å |
| 77 | Q | 97.8 | Very high | 97.6 | Very high | 19 Ų | 19 | 33.6 Ų | 33.6 | 9% | 0.089 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67 | -39.7 | 176 | -65.1 | -50.4 | -60.8 | 0 | 0 | 112.2 | S73 L74 R80 K81 I170 P255 V257 | S73-Q77 WeakPolarHBondContact O-CG 3.36Å; S73-Q77 PolarHBondContact O-N 3.28Å; L74-Q77 PolarHBondContact O-N 2.74Å; Q77-R80 PolarHBondContact O-N 3.26Å; Q77-K81 PolarHBondContact O-N 2.8Å; Q77-I170 PolarHBondContact NE2-O 2.78Å; Q77-I170 VanDerWaalsContact OE1-CG2 3.26Å; Q77-I170 PolarHBondContact OE1-O 3.24Å; Q77-P255 HydrophobicContact CB-CG 4.48Å; Q77-P255 HydrophobicContact CG-CG 4.01Å; Q77-V257 HydrophobicContact CB-CB 4.34Å; Q77-V257 HydrophobicContact CB-CG2 3.37Å; Q77-V257 HydrophobicContact CG-CG2 4.44Å |
| 78 | H | 97.3 | Very high | 97.6 | Very high | 22 Ų | 22 | 33.7 Ų | 33.7 | 10% | 0.102 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.8 | -47 | 176.7 | -174.5 | -83.2 | 0 | 0 | 0 | 111.3 | L74 E75 R80 K81 Y82 S84 A147 | L74-H78 WeakPolarHBondContact O-CB 3.42Å; L74-H78 PolarHBondContact O-N 2.93Å; E75-H78 PolarHBondContact O-N 3.38Å; H78-R80 VanDerWaalsContact C-N 3.31Å; H78-R80 PolarHBondContact O-N 2.91Å; H78-K81 PolarHBondContact O-N 2.73Å; H78-Y82 AromaticContact CD2-CD2 3.49Å; H78-Y82 VanDerWaalsContact CD2-CD2 3.49Å; H78-Y82 WeakPolarHBondContact CD2-CD2 3.35Å; H78-Y82 AromaticContact CD2-CE2 3.87Å; H78-Y82 AromaticContact CE1-CD2 3.94Å; H78-Y82 AromaticContact CG-CD2 3.98Å; H78-Y82 AromaticContact NE2-CD2 3.45Å; H78-Y82 WeakPolarHBondContact NE2-CD2 3.23Å; H78-Y82 PolarHBondContact O-N 2.99Å; H78-S84 PolarHBondContact ND1-O 3.23Å; H78-A147 HydrophobicContact CB-CB 4.5Å |
| 79 | M | 97.4 | Very high | 97.6 | Very high | 44 Ų | 44 | 32.8 Ų | 32.8 | 22% | 0.217 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.8 | -44.8 | 173.9 | 175.3 | 58.7 | -176.3 | 0 | 0 | 111.5 | G51 L52 E75 K81 G83 S84 L85 | G51-M79 WeakPolarHBondContact O-CG 3.13Å; L52-M79 HydrophobicContact CD1-CG 4.24Å; L52-M79 HydrophobicContact CG-CB 4.42Å; L52-M79 HydrophobicContact CG-CG 4.13Å; E75-M79 WeakPolarHBondContact O-CB 3.38Å; E75-M79 PolarHBondContact O-N 2.77Å; M79-K81 VanDerWaalsContact C-N 3.35Å; M79-K81 PolarHBondContact O-N 3.05Å; M79-G83 WeakPolarHBondContact O-CA 3.46Å; M79-G83 PolarHBondContact O-N 2.86Å; M79-S84 WeakPolarHBondContact CA-O 3.49Å; M79-S84 PolarHBondContact SD-N 3.37Å; M79-S84 VanDerWaalsContact SD-N 3.44Å; M79-L85 HydrophobicContact CB-CB 4.17Å; M79-L85 HydrophobicContact CB-CD1 3.83Å; M79-L85 HydrophobicContact CG-CB 4.14Å; M79-L85 HydrophobicContact CG-CD1 4.3Å; M79-L85 HydrophobicContact SD-CB 3.85Å; M79-L85 PolarHBondContact SD-N 2.88Å |
| 80 | R | 95.5 | Very high | 97.6 | Very high | 119 Ų | 119 | 32.8 Ų | 32.8 | 45% | 0.449 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.9 | -41 | 179.9 | -174.4 | 176.1 | 177.4 | 141.6 | -0.3 | 112.9 | L52 G76 Q77 H78 N169 I170 | L52-R80 HydrophobicContact CD2-CB 3.97Å; L52-R80 HydrophobicContact CD2-CG 4.48Å; G76-R80 WeakPolarHBondContact O-CB 3.49Å; G76-R80 PolarHBondContact O-N 2.97Å; Q77-R80 PolarHBondContact O-N 3.26Å; H78-R80 VanDerWaalsContact C-N 3.31Å; H78-R80 PolarHBondContact O-N 2.91Å; R80-N169 VanDerWaalsContact NH1-C 3.28Å; R80-N169 PolarHBondContact NH1-O 3.49Å; R80-N169 PolarHBondContact NH2-O 3.27Å; R80-I170 WeakPolarHBondContact CD-O 3.04Å; R80-I170 PolarHBondContact NH1-O 3.45Å |
| 81 | K | 95.7 | Very high | 97.6 | Very high | 106 Ų | 106 | 32.8 Ų | 32.8 | 46% | 0.461 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -81 | -44.2 | -176.2 | -175.9 | 170.1 | 179.9 | 170.4 | 0 | 113.2 | Q77 H78 M79 V257 | Q77-K81 PolarHBondContact O-N 2.8Å; H78-K81 PolarHBondContact O-N 2.73Å; M79-K81 VanDerWaalsContact C-N 3.35Å; M79-K81 PolarHBondContact O-N 3.05Å; K81-V257 HydrophobicContact CB-CG1 4.41Å; K81-V257 HydrophobicContact CD-CB 4.03Å; K81-V257 HydrophobicContact CD-CG1 3.77Å; K81-V257 VanDerWaalsContact CD-O 3.27Å; K81-V257 WeakPolarHBondContact CD-O 3.24Å; K81-V257 PolarHBondContact NZ-O 3.04Å; K81-V257 PolarHBondContact NZ-OXT 3.14Å |
| 82 | Y | 95.8 | Very high | 97.6 | Very high | 117 Ų | 117 | 32.7 Ų | 32.7 | 46% | 0.459 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -109.1 | -4 | -170.4 | -58.1 | -65.4 | 0 | 0 | 0 | 113.8 | H78 S84 V257 | H78-Y82 AromaticContact CD2-CD2 3.49Å; H78-Y82 VanDerWaalsContact CD2-CD2 3.49Å; H78-Y82 WeakPolarHBondContact CD2-CD2 3.35Å; H78-Y82 AromaticContact CD2-CE2 3.87Å; H78-Y82 AromaticContact CE1-CD2 3.94Å; H78-Y82 AromaticContact CG-CD2 3.98Å; H78-Y82 AromaticContact NE2-CD2 3.45Å; H78-Y82 WeakPolarHBondContact NE2-CD2 3.23Å; H78-Y82 PolarHBondContact O-N 2.99Å; Y82-S84 PolarHBondContact O-N 2.89Å; Y82-V257 HydrophobicContact CD2-CG1 4.22Å; Y82-V257 HydrophobicContact CE2-CG1 3.42Å; Y82-V257 VanDerWaalsContact CE2-CG1 3.42Å |
| 83 | G | 95.8 | Very high | 97.6 | Very high | 56 Ų | 56 | 32.6 Ų | 32.6 | 58% | 0.577 | 17% | 0.172 | S | C | * | . | S | Bend | trans | 71.5 | 13.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | M79 | M79-G83 WeakPolarHBondContact O-CA 3.46Å; M79-G83 PolarHBondContact O-N 2.86Å |
| 84 | S | 93 | Very high | 97.6 | Very high | 59 Ų | 59 | 32.9 Ų | 32.9 | 41% | 0.413 | 17% | 0.174 | S | C | . | . | trans | -125.6 | 117.4 | -179.5 | -175.6 | 0 | 0 | 0 | 0 | 111.2 | H78 M79 Y82 V86 | H78-S84 PolarHBondContact ND1-O 3.23Å; M79-S84 WeakPolarHBondContact CA-O 3.49Å; M79-S84 PolarHBondContact SD-N 3.37Å; M79-S84 VanDerWaalsContact SD-N 3.44Å; Y82-S84 PolarHBondContact O-N 2.89Å; S84-V86 PolarHBondContact O-N 3.13Å | ||
| 85 | L | 96.7 | Very high | 97.6 | Very high | 64 Ų | 64 | 33.5 Ų | 33.5 | 34% | 0.335 | 18% | 0.177 | S | C | . | . | trans | -86.4 | 107.8 | 174 | -172.7 | 73.2 | 0 | 0 | 0 | 108.8 | G51 T54 E75 M79 | G51-L85 WeakPolarHBondContact O-CD2 3.41Å; T54-L85 HydrophobicContact CG2-CD1 3.97Å; T54-L85 HydrophobicContact CG2-CD2 4.05Å; T54-L85 HydrophobicContact CG2-CG 3.9Å; E75-L85 HydrophobicContact CB-CD1 4.45Å; M79-L85 HydrophobicContact CB-CB 4.17Å; M79-L85 HydrophobicContact CB-CD1 3.83Å; M79-L85 HydrophobicContact CG-CB 4.14Å; M79-L85 HydrophobicContact CG-CD1 4.3Å; M79-L85 HydrophobicContact SD-CB 3.85Å; M79-L85 PolarHBondContact SD-N 2.88Å | ||
| 86 | V | 97.3 | Very high | 97.6 | Very high | 31 Ų | 31 | 34 Ų | 34 | 19% | 0.188 | 18% | 0.181 | C | C | . | . | trans | -109.7 | 130.9 | 179.5 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | E75 S84 L88 T125 | E75-V86 VanDerWaalsContact CG-O 3.31Å; E75-V86 WeakPolarHBondContact CG-O 3.47Å; S84-V86 PolarHBondContact O-N 3.13Å; V86-L88 HydrophobicContact CB-CD2 4.42Å; V86-L88 HydrophobicContact CG1-CD2 4.05Å; V86-T125 HydrophobicContact CG1-CG2 3.72Å | ||
| 87 | S | 98.7 | Very high | 97.5 | Very high | 42 Ų | 42 | 34 Ų | 34 | 29% | 0.294 | 18% | 0.181 | S | C | . | . | trans | -76.1 | 122.2 | 170.4 | -172.9 | 0 | 0 | 0 | 0 | 109.1 | K57 E75 T125 E126 | K57-S87 VanDerWaalsContact CE-OG 3.23Å; K57-S87 WeakPolarHBondContact CE-OG 3.02Å; K57-S87 PolarHBondContact NZ-OG 3.04Å; E75-S87 WeakPolarHBondContact OE1-CA 3.36Å; S87-T125 CarbonylContact O-C 3.57Å; S87-T125 WeakPolarHBondContact O-CA 3.27Å; S87-E126 PolarHBondContact O-N 3.29Å; S87-E126 WeakPolarHBondContact OG-CB 3.45Å | ||
| 88 | L | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -99.1 | 154.7 | -175.6 | -59.4 | 177.5 | 0 | 0 | 0 | 111.3 | K57 T71 L74 E75 V86 I123 A147 | K57-L88 PolarHBondContact NZ-O 3.48Å; T71-L88 HydrophobicContact CG2-CB 4.05Å; L74-L88 HydrophobicContact CB-CD1 3.96Å; L74-L88 HydrophobicContact CD2-CD1 3.67Å; L74-L88 HydrophobicContact CG-CD1 3.63Å; E75-L88 HydrophobicContact CG-CB 4.12Å; E75-L88 HydrophobicContact CG-CD1 3.83Å; E75-L88 HydrophobicContact CG-CG 3.73Å; E75-L88 PolarHBondContact OE1-N 3.03Å; V86-L88 HydrophobicContact CB-CD2 4.42Å; V86-L88 HydrophobicContact CG1-CD2 4.05Å; L88-I123 HydrophobicContact CB-CD1 4.42Å; L88-I123 HydrophobicContact CD1-CG2 4.07Å; L88-I123 HydrophobicContact CD2-CG2 4.18Å; L88-A147 HydrophobicContact CD1-CB 3.75Å; L88-A147 HydrophobicContact CD2-CB 3.72Å; L88-A147 HydrophobicContact CG-CB 4.39Å |
| 89 | S | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -83.5 | 113.6 | -173.3 | 175.6 | 0 | 0 | 0 | 0 | 112.9 | Q91 N92 D124 Y129 | S89-Q91 VanDerWaalsContact C-N 3.3Å; S89-Q91 PolarHBondContact OG-N 2.94Å; S89-N92 WeakPolarHBondContact OG-CB 3.03Å; S89-N92 PolarHBondContact OG-N 3.43Å; S89-D124 WeakPolarHBondContact CB-O 3.43Å; S89-D124 PolarHBondContact N-O 2.92Å; S89-Y129 VanDerWaalsContact CB-O 3.27Å; S89-Y129 WeakPolarHBondContact CB-O 3.45Å; S89-Y129 WeakPolarHBondContact OG-CB 3.42Å; S89-Y129 PolarHBondContact OG-O 3.19Å | ||
| 90 | E | 98.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.7 | -31.9 | 167.7 | -67.2 | 81.7 | -161.4 | 0 | 0 | 112.2 | K57 A67 F68 T71 N92 L93 V94 Y131 | K57-E90 WeakPolarHBondContact CD-OE1 3.48Å; K57-E90 WeakPolarHBondContact CD-OE2 3.49Å; K57-E90 IonicContact NZ-OE1 2.85Å; K57-E90 PolarHBondContact NZ-OE1 3.31Å; K57-E90 IonicContact NZ-OE2 3.74Å; K57-E90 PolarHBondContact NZ-OE2 3.35Å; A67-E90 HydrophobicContact CB-CB 3.97Å; A67-E90 HydrophobicContact CB-CG 4.16Å; F68-E90 HydrophobicContact CB-CG 4.29Å; F68-E90 VanDerWaalsContact CD1-CD 3.49Å; F68-E90 HydrophobicContact CD1-CG 3.58Å; F68-E90 HydrophobicContact CD2-CB 4.37Å; F68-E90 HydrophobicContact CD2-CG 3.87Å; F68-E90 HydrophobicContact CE1-CB 4.32Å; F68-E90 VanDerWaalsContact CE1-CD 3.45Å; F68-E90 HydrophobicContact CE1-CG 3.68Å; F68-E90 WeakPolarHBondContact CE1-OE2 3.39Å; F68-E90 HydrophobicContact CE2-CB 4.06Å; F68-E90 HydrophobicContact CE2-CG 3.95Å; F68-E90 HydrophobicContact CG-CG 3.67Å; F68-E90 HydrophobicContact CZ-CB 4.04Å; F68-E90 HydrophobicContact CZ-CG 3.86Å; T71-E90 WeakPolarHBondContact CB-OE1 3.45Å; T71-E90 HydrophobicContact CG2-CG 3.84Å; T71-E90 PolarHBondContact OG1-OE1 2.96Å; E90-N92 VanDerWaalsContact C-N 3.27Å; E90-N92 PolarHBondContact O-N 3.19Å; E90-L93 WeakPolarHBondContact O-CB 3.35Å; E90-L93 PolarHBondContact O-N 2.95Å; E90-V94 WeakPolarHBondContact O-CG2 3.46Å; E90-V94 PolarHBondContact O-N 3.37Å; E90-Y131 HydrophobicContact CB-CD2 3.85Å; E90-Y131 HydrophobicContact CB-CE2 4.17Å |
| 91 | Q | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.1 | -35.9 | 179.9 | -162.5 | 62.8 | 48.1 | 0 | 0 | 111.8 | S89 L93 V94 D95 Y129 P130 Y131 E132 I134 | S89-Q91 VanDerWaalsContact C-N 3.3Å; S89-Q91 PolarHBondContact OG-N 2.94Å; Q91-L93 VanDerWaalsContact C-N 3.26Å; Q91-L93 PolarHBondContact O-N 3.02Å; Q91-V94 PolarHBondContact O-N 3.39Å; Q91-D95 PolarHBondContact NE2-OD1 3.12Å; Q91-D95 WeakPolarHBondContact O-CB 3.32Å; Q91-D95 PolarHBondContact O-N 2.8Å; Q91-Y129 HydrophobicContact CB-CD1 3.76Å; Q91-Y129 HydrophobicContact CB-CE1 3.79Å; Q91-Y129 HydrophobicContact CG-CD1 3.88Å; Q91-Y129 HydrophobicContact CG-CE1 3.43Å; Q91-Y129 VanDerWaalsContact CG-CE1 3.43Å; Q91-P130 WeakPolarHBondContact CB-O 3.5Å; Q91-Y131 HydrophobicContact CB-CD2 4.4Å; Q91-E132 HydrophobicContact CG-CB 4.44Å; Q91-E132 HydrophobicContact CG-CG 4.38Å; Q91-I134 PolarHBondContact NE2-O 3.09Å |
| 92 | N | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.6 | -44.4 | 172.2 | -178.2 | -178.9 | 0 | 0 | 0 | 110.4 | S89 E90 C96 Y116 I123 D124 Y129 F140 | S89-N92 WeakPolarHBondContact OG-CB 3.03Å; S89-N92 PolarHBondContact OG-N 3.43Å; E90-N92 VanDerWaalsContact C-N 3.27Å; E90-N92 PolarHBondContact O-N 3.19Å; N92-C96 PolarHBondContact ND2-SG 3.47Å; N92-C96 WeakPolarHBondContact O-CB 3.4Å; N92-C96 PolarHBondContact O-N 2.99Å; N92-C96 PolarHBondContact O-SG 2.86Å; N92-C96 VanDerWaalsContact O-SG 3.36Å; N92-Y116 PolarHBondContact ND2-OH 2.99Å; N92-I123 HydrophobicContact CB-CG1 4.35Å; N92-D124 HydrophobicContact CB-CB 4.5Å; N92-D124 PolarHBondContact OD1-N 3.07Å; N92-Y129 HydrophobicContact CB-CD2 3.8Å; N92-Y129 HydrophobicContact CB-CE2 4.08Å; N92-Y129 HydrophobicContact CB-CG 4.36Å; N92-F140 WeakPolarHBondContact OD1-CD2 3.25Å |
| 93 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.5 | -47.8 | 177.4 | -64.3 | 179.2 | 0 | 0 | 0 | 111.7 | W66 A67 A70 T71 E90 Q91 D95 C96 S97 A113 Y116 I117 I123 | W66-L93 HydrophobicContact CH2-CB 3.93Å; W66-L93 HydrophobicContact CZ3-CB 3.89Å; A67-L93 HydrophobicContact CB-CB 3.97Å; A67-L93 HydrophobicContact CB-CD1 3.98Å; A70-L93 HydrophobicContact CB-CD1 4.14Å; T71-L93 HydrophobicContact CG2-CD1 3.82Å; E90-L93 WeakPolarHBondContact O-CB 3.35Å; E90-L93 PolarHBondContact O-N 2.95Å; Q91-L93 VanDerWaalsContact C-N 3.26Å; Q91-L93 PolarHBondContact O-N 3.02Å; L93-D95 VanDerWaalsContact C-N 3.3Å; L93-D95 PolarHBondContact O-N 3.04Å; L93-C96 PolarHBondContact O-N 2.75Å; L93-S97 WeakPolarHBondContact O-CB 3.18Å; L93-S97 PolarHBondContact O-N 3.19Å; L93-S97 VanDerWaalsContact O-N 3.1Å; L93-S97 PolarHBondContact O-OG 3.45Å; L93-A113 HydrophobicContact CD1-CB 3.94Å; L93-A113 HydrophobicContact CD2-CB 4.04Å; L93-Y116 HydrophobicContact CD2-CD1 3.56Å; L93-Y116 HydrophobicContact CD2-CE1 3.92Å; L93-I117 HydrophobicContact CD2-CD1 4.07Å; L93-I117 HydrophobicContact CD2-CG1 3.9Å; L93-I123 HydrophobicContact CD1-CD1 4.15Å; L93-I123 HydrophobicContact CD2-CD1 3.84Å; L93-I123 HydrophobicContact CG-CD1 3.78Å |
| 94 | V | 98.7 | Very high | 97.4 | Very high | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -53.7 | -48.3 | 178.8 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | W66 A67 E90 Q91 Y131 | W66-V94 HydrophobicContact CZ2-CG2 4.42Å; A67-V94 HydrophobicContact CB-CG2 4.34Å; E90-V94 WeakPolarHBondContact O-CG2 3.46Å; E90-V94 PolarHBondContact O-N 3.37Å; Q91-V94 PolarHBondContact O-N 3.39Å; V94-Y131 HydrophobicContact CG2-CE2 4.5Å |
| 95 | D | 98.8 | Very high | 97.7 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 6% | 0.064 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -82.6 | -28.5 | -172.8 | -68.3 | -4.2 | 0 | 0 | 0 | 113.7 | Q91 L93 Y129 G136 R139 | Q91-D95 PolarHBondContact NE2-OD1 3.12Å; Q91-D95 WeakPolarHBondContact O-CB 3.32Å; Q91-D95 PolarHBondContact O-N 2.8Å; L93-D95 VanDerWaalsContact C-N 3.3Å; L93-D95 PolarHBondContact O-N 3.04Å; D95-Y129 WeakPolarHBondContact CB-OH 3.28Å; D95-Y129 PolarHBondContact OD2-OH 2.64Å; D95-G136 VanDerWaalsContact OD1-CA 3.29Å; D95-G136 WeakPolarHBondContact OD1-CA 3.4Å; D95-G136 PolarHBondContact OD1-N 3.07Å; D95-R139 IonicContact OD2-CZ 2.76Å; D95-R139 IonicContact OD2-NH1 2.9Å; D95-R139 PolarHBondContact OD2-NH1 3.37Å; D95-R139 IonicContact OD2-NH2 3.97Å |
| 96 | C | 98.8 | Very high | 97.6 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 9% | 0.088 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -112 | -19.2 | -166.2 | -58.2 | 0 | 0 | 0 | 0 | 115.7 | N92 L93 S98 Y116 C138 | N92-C96 PolarHBondContact ND2-SG 3.47Å; N92-C96 WeakPolarHBondContact O-CB 3.4Å; N92-C96 PolarHBondContact O-N 2.99Å; N92-C96 PolarHBondContact O-SG 2.86Å; N92-C96 VanDerWaalsContact O-SG 3.36Å; L93-C96 PolarHBondContact O-N 2.75Å; C96-S98 VanDerWaalsContact C-N 3.34Å; C96-S98 PolarHBondContact O-N 2.57Å; C96-Y116 HydrophobicContact CB-CE1 4.28Å; C96-Y116 HydrophobicContact CB-CE2 3.69Å; C96-Y116 VanDerWaalsContact CB-CZ 3.48Å; C96-Y116 VanDerWaalsContact CB-OH 3.24Å; C96-Y116 WeakPolarHBondContact CB-OH 3.11Å; C96-C138 HydrophobicContact CB-CB 3.87Å; C96-C138 WeakPolarHBondContact CB-SG 3.3Å; C96-C138 WeakPolarHBondContact SG-CA 3.28Å; C96-C138 WeakPolarHBondContact SG-CB 3.29Å; C96-C138 CovalentContact SG-SG 2.04Å; C96-C138 PolarHBondContact SG-SG 2.98Å |
| 97 | S | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -90.5 | 9.8 | -171.1 | 69.5 | 0 | 0 | 0 | 0 | 114.7 | W66 L93 K99 F100 N102 | W66-S97 VanDerWaalsContact CH2-OG 3.28Å; W66-S97 WeakPolarHBondContact CH2-OG 3.39Å; L93-S97 WeakPolarHBondContact O-CB 3.18Å; L93-S97 PolarHBondContact O-N 3.19Å; L93-S97 VanDerWaalsContact O-N 3.1Å; L93-S97 PolarHBondContact O-OG 3.45Å; S97-K99 VanDerWaalsContact C-N 3.29Å; S97-K99 PolarHBondContact O-N 3.42Å; S97-F100 WeakPolarHBondContact O-CA 3.32Å; S97-F100 WeakPolarHBondContact O-CB 3.35Å; S97-F100 PolarHBondContact O-N 2.93Å; S97-N102 WeakPolarHBondContact CB-ND2 3.1Å; S97-N102 VanDerWaalsContact OG-CB 3.31Å; S97-N102 WeakPolarHBondContact OG-CB 3.32Å; S97-N102 PolarHBondContact OG-ND2 3.38Å |
| 98 | S | 96.8 | Very high | 97.6 | Very high | 74 Ų | 74 | 30.8 Ų | 30.8 | 52% | 0.517 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -60.3 | -35.3 | -177 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | C96 F100 G101 N102 | C96-S98 VanDerWaalsContact C-N 3.34Å; C96-S98 PolarHBondContact O-N 2.57Å; S98-F100 PolarHBondContact O-N 3.03Å; S98-F100 VanDerWaalsContact O-N 3.13Å; S98-G101 PolarHBondContact O-N 3.1Å; S98-N102 VanDerWaalsContact CA-O 3.29Å; S98-N102 WeakPolarHBondContact CA-O 3.42Å |
| 99 | K | 96 | Very high | 97.5 | Very high | 196 Ų | 196 | 31 Ų | 31 | 85% | 0.852 | 17% | 0.17 | S | C | * | . | G | 310 helix | trans | -62.9 | -16.8 | 174.3 | -66.6 | -177.7 | -179.1 | 176.2 | 0 | 113.7 | S97 | S97-K99 VanDerWaalsContact C-N 3.29Å; S97-K99 PolarHBondContact O-N 3.42Å |
| 100 | F | 94.3 | Very high | 97.4 | Very high | 65 Ų | 65 | 31.1 Ų | 31.1 | 29% | 0.285 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -98 | -0.1 | 178.3 | -64.7 | -97.9 | 0 | 0 | 0 | 112.5 | S97 S98 Q112 E115 Y116 S119 | S97-F100 WeakPolarHBondContact O-CA 3.32Å; S97-F100 WeakPolarHBondContact O-CB 3.35Å; S97-F100 PolarHBondContact O-N 2.93Å; S98-F100 PolarHBondContact O-N 3.03Å; S98-F100 VanDerWaalsContact O-N 3.13Å; F100-Q112 HydrophobicContact CB-CB 4.39Å; F100-Q112 WeakPolarHBondContact O-CG 3.41Å; F100-Q112 PolarHBondContact O-NE2 3.42Å; F100-E115 HydrophobicContact CD1-CB 4.06Å; F100-E115 HydrophobicContact CD1-CG 3.89Å; F100-E115 HydrophobicContact CE1-CG 4.03Å; F100-Y116 AromaticContact CD2-CD2 3.9Å; F100-Y116 HydrophobicContact CD2-CD2 3.9Å; F100-Y116 HydrophobicContact CD2-CG 4.28Å; F100-Y116 AromaticContact CE2-CD2 3.73Å; F100-Y116 HydrophobicContact CE2-CD2 3.73Å; F100-Y116 HydrophobicContact CE2-CG 4.4Å; F100-S119 VanDerWaalsContact CZ-CB 3.46Å |
| 101 | G | 94.6 | Very high | 97.3 | Very high | 35 Ų | 35 | 31.3 Ų | 31.3 | 36% | 0.361 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 106.3 | -3.7 | 173 | 0 | 0 | 0 | 0 | 0 | 115.3 | S98 Q112 | S98-G101 PolarHBondContact O-N 3.1Å; G101-Q112 PolarHBondContact O-OE1 2.99Å |
| 102 | N | 96.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | trans | -70.9 | 153.3 | 170.9 | -68.6 | -42.8 | 0 | 0 | 0 | 110.7 | W66 S97 S98 G108 L109 Q112 A113 | W66-N102 HydrophobicContact CH2-CB 3.6Å; W66-N102 HydrophobicContact CZ2-CB 3.84Å; W66-N102 HydrophobicContact CZ3-CB 3.98Å; W66-N102 WeakPolarHBondContact CZ3-ND2 3.46Å; S97-N102 WeakPolarHBondContact CB-ND2 3.1Å; S97-N102 VanDerWaalsContact OG-CB 3.31Å; S97-N102 WeakPolarHBondContact OG-CB 3.32Å; S97-N102 PolarHBondContact OG-ND2 3.38Å; S98-N102 VanDerWaalsContact CA-O 3.29Å; S98-N102 WeakPolarHBondContact CA-O 3.42Å; N102-G108 WeakPolarHBondContact OD1-CA 3.36Å; N102-L109 PolarHBondContact OD1-N 2.89Å; N102-L109 PolarHBondContact OD1-O 3.43Å; N102-Q112 PolarHBondContact OD1-OE1 3.29Å; N102-A113 PolarHBondContact ND2-N 3.43Å | ||
| 103 | M | 97.1 | Very high | 97.1 | Very high | 106 Ų | 106 | 32.7 Ų | 32.7 | 52% | 0.522 | 18% | 0.177 | S | C | . | . | trans | -122 | 30.9 | -175.4 | -53.9 | 176.6 | -177.9 | 0 | 0 | 111.5 | K20 C105 N106 G107 | K20-M103 HydrophobicContact CD-SD 4.13Å; M103-C105 PolarHBondContact O-N 3.48Å; M103-N106 HydrophobicContact CB-CB 3.98Å; M103-N106 WeakPolarHBondContact O-CA 3.41Å; M103-N106 VanDerWaalsContact O-CB 3.29Å; M103-N106 WeakPolarHBondContact O-CB 3.27Å; M103-N106 PolarHBondContact O-N 3.37Å; M103-G107 CarbonylContact C-O 3.56Å; M103-G107 VanDerWaalsContact CA-O 3.31Å; M103-G107 WeakPolarHBondContact CA-O 3.1Å; M103-G107 WeakPolarHBondContact CB-O 3.48Å; M103-G107 PolarHBondContact N-O 3.11Å | ||
| 104 | G | 97.4 | Very high | 97.1 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | 58.3 | -126.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | W66 N106 G107 D135 | W66-G104 PolarHBondContact NE1-O 2.77Å; W66-G104 VanDerWaalsContact NE1-O 3.1Å; G104-N106 PolarHBondContact O-N 3.02Å; G104-G107 PolarHBondContact O-N 3.01Å; G104-D135 VanDerWaalsContact CA-OD1 3.25Å; G104-D135 WeakPolarHBondContact CA-OD1 3.32Å |
| 105 | C | 97.4 | Very high | 96.9 | Very high | 22 Ų | 22 | 35.5 Ų | 35.5 | 15% | 0.149 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -67.8 | -11.5 | 174.6 | -72.8 | 0 | 0 | 0 | 0 | 114 | C62 G63 M103 G107 D135 | C62-C105 HydrophobicContact CB-CB 3.94Å; C62-C105 WeakPolarHBondContact CB-SG 3.47Å; C62-C105 WeakPolarHBondContact SG-CA 3.06Å; C62-C105 WeakPolarHBondContact SG-CB 3.3Å; C62-C105 CovalentContact SG-SG 2.04Å; C62-C105 PolarHBondContact SG-SG 2.81Å; G63-C105 WeakPolarHBondContact CA-O 3.44Å; G63-C105 PolarHBondContact N-O 3.39Å; M103-C105 PolarHBondContact O-N 3.48Å; C105-G107 VanDerWaalsContact C-N 3.27Å; C105-D135 PolarHBondContact N-OD1 3.32Å |
| 106 | N | 96.4 | Very high | 96.9 | Very high | 104 Ų | 104 | 35.2 Ų | 35.2 | 56% | 0.556 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -89.7 | 9.7 | 174.5 | -57.1 | -76.6 | 0 | 0 | 0 | 112.7 | K20 M103 G104 | K20-N106 WeakPolarHBondContact CD-O 3.29Å; K20-N106 WeakPolarHBondContact CE-O 3.06Å; K20-N106 PolarHBondContact NZ-O 2.78Å; M103-N106 HydrophobicContact CB-CB 3.98Å; M103-N106 WeakPolarHBondContact O-CA 3.41Å; M103-N106 VanDerWaalsContact O-CB 3.29Å; M103-N106 WeakPolarHBondContact O-CB 3.27Å; M103-N106 PolarHBondContact O-N 3.37Å; G104-N106 PolarHBondContact O-N 3.02Å |
| 107 | G | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | 105.2 | 171.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | G18 G63 W66 M103 G104 C105 | G18-G107 CarbonylContact O-C 3.51Å; G18-G107 WeakPolarHBondContact O-CA 3.25Å; G63-G107 VanDerWaalsContact O-CA 3.32Å; G63-G107 WeakPolarHBondContact O-CA 3.41Å; G63-G107 PolarHBondContact O-N 2.86Å; W66-G107 VanDerWaalsContact NE1-C 3.33Å; M103-G107 CarbonylContact C-O 3.56Å; M103-G107 VanDerWaalsContact CA-O 3.31Å; M103-G107 WeakPolarHBondContact CA-O 3.1Å; M103-G107 WeakPolarHBondContact CB-O 3.48Å; M103-G107 PolarHBondContact N-O 3.11Å; G104-G107 PolarHBondContact O-N 3.01Å; C105-G107 VanDerWaalsContact C-N 3.27Å | ||
| 108 | G | 97.2 | Very high | 96.9 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | 178.3 | -171.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G18 Y19 K20 W66 N102 | G18-G108 PolarHBondContact O-N 3.16Å; Y19-G108 WeakPolarHBondContact CA-O 3.28Å; K20-G108 PolarHBondContact N-O 3.46Å; W66-G108 WeakPolarHBondContact CB-O 3.37Å; W66-G108 VanDerWaalsContact CG-C 3.48Å; N102-G108 WeakPolarHBondContact OD1-CA 3.36Å |
| 109 | L | 96.9 | Very high | 96.9 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | trans | -135.1 | 136.9 | -176.4 | -177.7 | 63.4 | 0 | 0 | 0 | 110.7 | Y19 L22 N102 D111 Q112 A113 | Y19-L109 HydrophobicContact CD2-CD1 3.94Å; Y19-L109 HydrophobicContact CE2-CD1 3.21Å; L22-L109 HydrophobicContact CB-CD2 4.22Å; L22-L109 HydrophobicContact CD1-CD2 3.37Å; L22-L109 HydrophobicContact CG-CD2 3.63Å; N102-L109 PolarHBondContact OD1-N 2.89Å; N102-L109 PolarHBondContact OD1-O 3.43Å; L109-D111 VanDerWaalsContact C-N 3.28Å; L109-D111 HydrophobicContact CD2-CB 3.98Å; L109-D111 HydrophobicContact CG-CB 4.02Å; L109-D111 PolarHBondContact O-N 2.93Å; L109-Q112 HydrophobicContact CB-CB 4.47Å; L109-Q112 HydrophobicContact CB-CG 4.15Å; L109-Q112 HydrophobicContact CD2-CG 4.47Å; L109-Q112 WeakPolarHBondContact O-CB 3.45Å; L109-Q112 PolarHBondContact O-N 3.24Å; L109-Q112 VanDerWaalsContact O-N 3.07Å; L109-A113 PolarHBondContact O-N 3.34Å | ||
| 110 | M | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57 | -41.6 | 179.7 | -60.8 | 78.2 | 78 | 0 | 0 | 112.1 | Y19 W66 S69 A70 Q112 A113 F114 A176 | Y19-M110 HydrophobicContact CD2-CE 4.11Å; Y19-M110 HydrophobicContact CD2-SD 3.98Å; Y19-M110 HydrophobicContact CE2-CE 4.17Å; Y19-M110 HydrophobicContact CE2-SD 4.45Å; W66-M110 HydrophobicContact CB-SD 4.15Å; W66-M110 WeakPolarHBondContact O-CG 3.37Å; S69-M110 WeakPolarHBondContact OG-CG 3.35Å; A70-M110 HydrophobicContact CB-CB 4.18Å; A70-M110 HydrophobicContact CB-CG 4.28Å; M110-Q112 VanDerWaalsContact C-N 3.28Å; M110-Q112 PolarHBondContact O-N 3.24Å; M110-A113 WeakPolarHBondContact O-CA 3.37Å; M110-A113 VanDerWaalsContact O-CB 3.25Å; M110-A113 WeakPolarHBondContact O-CB 3.48Å; M110-A113 PolarHBondContact O-N 3.02Å; M110-F114 HydrophobicContact CB-CE2 3.96Å; M110-F114 HydrophobicContact CB-CZ 4.27Å; M110-F114 VanDerWaalsContact O-CD2 3.25Å; M110-F114 WeakPolarHBondContact O-CD2 3.35Å; M110-F114 WeakPolarHBondContact O-CG 3.34Å; M110-F114 PolarHBondContact O-N 2.94Å; M110-A176 HydrophobicContact CE-CB 4.39Å |
| 111 | D | 96.5 | Very high | 97.2 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.1 | -39.2 | 176.9 | -56.6 | -4.8 | 0 | 0 | 0 | 112.7 | K27 L109 A113 F114 E115 Y152 S253 | K27-D111 IonicContact NZ-OD2 2.81Å; L109-D111 VanDerWaalsContact C-N 3.28Å; L109-D111 HydrophobicContact CD2-CB 3.98Å; L109-D111 HydrophobicContact CG-CB 4.02Å; L109-D111 PolarHBondContact O-N 2.93Å; D111-A113 VanDerWaalsContact C-N 3.35Å; D111-F114 PolarHBondContact O-N 2.91Å; D111-E115 PolarHBondContact O-N 2.97Å; D111-Y152 HydrophobicContact CB-CD2 4.02Å; D111-Y152 HydrophobicContact CB-CE1 4.33Å; D111-Y152 HydrophobicContact CB-CE2 3.57Å; D111-Y152 WeakPolarHBondContact O-CE1 3.5Å; D111-S253 VanDerWaalsContact OD1-CB 3.25Å; D111-S253 WeakPolarHBondContact OD1-CB 3.35Å; D111-S253 PolarHBondContact OD1-OG 3.15Å |
| 112 | Q | 95.6 | Very high | 97.4 | Very high | 28 Ų | 28 | 34.6 Ų | 34.6 | 13% | 0.131 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.2 | -33.9 | 177.2 | -67.3 | 175.3 | -28.7 | 0 | 0 | 111.4 | F100 G101 N102 L109 M110 Y116 | F100-Q112 HydrophobicContact CB-CB 4.39Å; F100-Q112 WeakPolarHBondContact O-CG 3.41Å; F100-Q112 PolarHBondContact O-NE2 3.42Å; G101-Q112 PolarHBondContact O-OE1 2.99Å; N102-Q112 PolarHBondContact OD1-OE1 3.29Å; L109-Q112 HydrophobicContact CB-CB 4.47Å; L109-Q112 HydrophobicContact CB-CG 4.15Å; L109-Q112 HydrophobicContact CD2-CG 4.47Å; L109-Q112 WeakPolarHBondContact O-CB 3.45Å; L109-Q112 PolarHBondContact O-N 3.24Å; L109-Q112 VanDerWaalsContact O-N 3.07Å; M110-Q112 VanDerWaalsContact C-N 3.28Å; M110-Q112 PolarHBondContact O-N 3.24Å; Q112-Y116 WeakPolarHBondContact O-CB 3.4Å; Q112-Y116 PolarHBondContact O-N 3.33Å |
| 113 | A | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.5 | -47.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | W66 A70 L93 N102 L109 M110 D111 E115 Y116 I117 | W66-A113 HydrophobicContact CE3-CB 4.16Å; W66-A113 HydrophobicContact CZ3-CB 3.93Å; A70-A113 HydrophobicContact CB-CB 3.65Å; L93-A113 HydrophobicContact CD1-CB 3.94Å; L93-A113 HydrophobicContact CD2-CB 4.04Å; N102-A113 PolarHBondContact ND2-N 3.43Å; L109-A113 PolarHBondContact O-N 3.34Å; M110-A113 WeakPolarHBondContact O-CA 3.37Å; M110-A113 VanDerWaalsContact O-CB 3.25Å; M110-A113 WeakPolarHBondContact O-CB 3.48Å; M110-A113 PolarHBondContact O-N 3.02Å; D111-A113 VanDerWaalsContact C-N 3.35Å; A113-E115 PolarHBondContact O-N 2.73Å; A113-Y116 WeakPolarHBondContact O-CB 3.43Å; A113-Y116 PolarHBondContact O-N 2.86Å; A113-I117 VanDerWaalsContact O-CG1 3.28Å; A113-I117 WeakPolarHBondContact O-CG1 3.38Å; A113-I117 PolarHBondContact O-N 2.92Å |
| 114 | F | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 176.4 | -59.9 | -38.7 | 0 | 0 | 0 | 112.2 | A70 M110 D111 Y116 I117 K118 D149 Y152 P255 | A70-F114 HydrophobicContact CB-CD1 4.37Å; A70-F114 HydrophobicContact CB-CE1 3.76Å; A70-F114 HydrophobicContact CB-CZ 4.05Å; A70-F114 WeakPolarHBondContact O-CE1 3.39Å; M110-F114 HydrophobicContact CB-CE2 3.96Å; M110-F114 HydrophobicContact CB-CZ 4.27Å; M110-F114 VanDerWaalsContact O-CD2 3.25Å; M110-F114 WeakPolarHBondContact O-CD2 3.35Å; M110-F114 WeakPolarHBondContact O-CG 3.34Å; M110-F114 PolarHBondContact O-N 2.94Å; D111-F114 PolarHBondContact O-N 2.91Å; F114-Y116 VanDerWaalsContact C-N 3.31Å; F114-Y116 PolarHBondContact O-N 3.08Å; F114-I117 PolarHBondContact O-N 2.98Å; F114-K118 WeakPolarHBondContact O-CB 3.4Å; F114-K118 PolarHBondContact O-N 3.41Å; F114-D149 WeakPolarHBondContact CA-OD2 3.36Å; F114-D149 VanDerWaalsContact CB-OD2 3.32Å; F114-D149 WeakPolarHBondContact CB-OD2 3.12Å; F114-Y152 HydrophobicContact CB-CD1 3.86Å; F114-Y152 HydrophobicContact CB-CG 4.18Å; F114-Y152 HydrophobicContact CD2-CG 4.15Å; F114-P255 HydrophobicContact CD1-CB 3.7Å; F114-P255 HydrophobicContact CD1-CG 4.2Å; F114-P255 HydrophobicContact CE1-CB 3.78Å; F114-P255 HydrophobicContact CE1-CG 3.74Å; F114-P255 HydrophobicContact CG-CB 4.19Å; F114-P255 HydrophobicContact CZ-CB 4.33Å; F114-P255 HydrophobicContact CZ-CG 4.12Å |
| 115 | E | 96.3 | Very high | 97.6 | Very high | 66 Ų | 66 | 30.8 Ų | 30.8 | 31% | 0.308 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.7 | -37.5 | 176.3 | -164.9 | 63.8 | -148.9 | 0 | 0 | 112.3 | F100 D111 A113 K118 S119 Y152 | F100-E115 HydrophobicContact CD1-CB 4.06Å; F100-E115 HydrophobicContact CD1-CG 3.89Å; F100-E115 HydrophobicContact CE1-CG 4.03Å; D111-E115 PolarHBondContact O-N 2.97Å; A113-E115 PolarHBondContact O-N 2.73Å; E115-K118 IonicContact OE1-NZ 2.93Å; E115-K118 IonicContact OE2-NZ 2.65Å; E115-S119 WeakPolarHBondContact O-CB 3.47Å; E115-S119 PolarHBondContact O-N 3.38Å; E115-Y152 HydrophobicContact CB-CE1 4.3Å |
| 116 | Y | 97.8 | Very high | 97.7 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 3% | 0.027 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.4 | -53 | 171.2 | 161.9 | -101.3 | 0 | 0 | 0 | 111.2 | N92 L93 C96 F100 Q112 A113 F114 K118 S119 N120 | N92-Y116 PolarHBondContact ND2-OH 2.99Å; L93-Y116 HydrophobicContact CD2-CD1 3.56Å; L93-Y116 HydrophobicContact CD2-CE1 3.92Å; C96-Y116 HydrophobicContact CB-CE1 4.28Å; C96-Y116 HydrophobicContact CB-CE2 3.69Å; C96-Y116 VanDerWaalsContact CB-CZ 3.48Å; C96-Y116 VanDerWaalsContact CB-OH 3.24Å; C96-Y116 WeakPolarHBondContact CB-OH 3.11Å; F100-Y116 AromaticContact CD2-CD2 3.9Å; F100-Y116 HydrophobicContact CD2-CD2 3.9Å; F100-Y116 HydrophobicContact CD2-CG 4.28Å; F100-Y116 AromaticContact CE2-CD2 3.73Å; F100-Y116 HydrophobicContact CE2-CD2 3.73Å; F100-Y116 HydrophobicContact CE2-CG 4.4Å; Q112-Y116 WeakPolarHBondContact O-CB 3.4Å; Q112-Y116 PolarHBondContact O-N 3.33Å; A113-Y116 WeakPolarHBondContact O-CB 3.43Å; A113-Y116 PolarHBondContact O-N 2.86Å; F114-Y116 VanDerWaalsContact C-N 3.31Å; F114-Y116 PolarHBondContact O-N 3.08Å; Y116-K118 VanDerWaalsContact C-N 3.3Å; Y116-K118 PolarHBondContact O-N 2.94Å; Y116-S119 PolarHBondContact O-N 2.78Å; Y116-S119 VanDerWaalsContact O-N 3.14Å; Y116-N120 HydrophobicContact CD2-CB 4.14Å; Y116-N120 HydrophobicContact CE1-CB 4.36Å; Y116-N120 HydrophobicContact CE2-CB 3.69Å; Y116-N120 WeakPolarHBondContact O-CB 3.49Å; Y116-N120 PolarHBondContact O-N 3.3Å; Y116-N120 VanDerWaalsContact OH-CG 3.31Å; Y116-N120 PolarHBondContact OH-ND2 3.01Å; Y116-N120 VanDerWaalsContact OH-ND2 3.09Å |
| 117 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.1 | -44.7 | -175.5 | -62.4 | 169.4 | 0 | 0 | 0 | 110.4 | L74 L93 A113 F114 N120 K121 G122 I123 D149 | L74-I117 HydrophobicContact CD2-CD1 3.6Å; L74-I117 HydrophobicContact CD2-CG2 4.15Å; L93-I117 HydrophobicContact CD2-CD1 4.07Å; L93-I117 HydrophobicContact CD2-CG1 3.9Å; A113-I117 VanDerWaalsContact O-CG1 3.28Å; A113-I117 WeakPolarHBondContact O-CG1 3.38Å; A113-I117 PolarHBondContact O-N 2.92Å; F114-I117 PolarHBondContact O-N 2.98Å; I117-N120 PolarHBondContact O-N 2.83Å; I117-K121 PolarHBondContact O-N 2.84Å; I117-G122 PolarHBondContact O-N 3.28Å; I117-I123 HydrophobicContact CD1-CB 4.31Å; I117-I123 HydrophobicContact CD1-CD1 3.85Å; I117-I123 HydrophobicContact CD1-CG2 4.27Å; I117-I123 HydrophobicContact CG1-CB 4.1Å; I117-I123 HydrophobicContact CG1-CD1 4.2Å; I117-I123 HydrophobicContact CG1-CG2 4.46Å; I117-I123 HydrophobicContact CG2-CB 4.12Å; I117-I123 HydrophobicContact CG2-CG2 3.97Å; I117-D149 HydrophobicContact CB-CB 4.02Å; I117-D149 HydrophobicContact CG2-CB 3.6Å |
| 118 | K | 97.5 | Very high | 97.9 | Very high | 86 Ų | 86 | 38.2 Ų | 38.2 | 37% | 0.374 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.1 | -52.3 | 174.4 | 176.3 | -165.7 | 173.3 | -167.5 | 0 | 111.9 | F114 E115 Y116 N120 K121 D149 | F114-K118 WeakPolarHBondContact O-CB 3.4Å; F114-K118 PolarHBondContact O-N 3.41Å; E115-K118 IonicContact OE1-NZ 2.93Å; E115-K118 IonicContact OE2-NZ 2.65Å; Y116-K118 VanDerWaalsContact C-N 3.3Å; Y116-K118 PolarHBondContact O-N 2.94Å; K118-N120 VanDerWaalsContact C-N 3.31Å; K118-N120 PolarHBondContact O-N 2.85Å; K118-K121 PolarHBondContact O-N 2.62Å; K118-D149 VanDerWaalsContact CA-O 3.31Å; K118-D149 WeakPolarHBondContact CA-O 3.42Å |
| 119 | S | 97.6 | Very high | 97.9 | Very high | 75 Ų | 75 | 38.5 Ų | 38.5 | 52% | 0.524 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.5 | -33 | -178.5 | -176.5 | 0 | 0 | 0 | 0 | 112.8 | F100 E115 Y116 | F100-S119 VanDerWaalsContact CZ-CB 3.46Å; E115-S119 WeakPolarHBondContact O-CB 3.47Å; E115-S119 PolarHBondContact O-N 3.38Å; Y116-S119 PolarHBondContact O-N 2.78Å; Y116-S119 VanDerWaalsContact O-N 3.14Å |
| 120 | N | 98.2 | Very high | 98 | Very high | 41 Ų | 41 | 41.5 Ų | 41.5 | 22% | 0.219 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -77.8 | -12.3 | 178.6 | -168.3 | 65.4 | 0 | 0 | 0 | 112.2 | Y116 I117 K118 G122 F140 | Y116-N120 HydrophobicContact CD2-CB 4.14Å; Y116-N120 HydrophobicContact CE1-CB 4.36Å; Y116-N120 HydrophobicContact CE2-CB 3.69Å; Y116-N120 WeakPolarHBondContact O-CB 3.49Å; Y116-N120 PolarHBondContact O-N 3.3Å; Y116-N120 VanDerWaalsContact OH-CG 3.31Å; Y116-N120 PolarHBondContact OH-ND2 3.01Å; Y116-N120 VanDerWaalsContact OH-ND2 3.09Å; I117-N120 PolarHBondContact O-N 2.83Å; K118-N120 VanDerWaalsContact C-N 3.31Å; K118-N120 PolarHBondContact O-N 2.85Å; N120-G122 VanDerWaalsContact C-N 3.27Å; N120-G122 PolarHBondContact ND2-O 3.17Å; N120-G122 PolarHBondContact O-N 3.48Å; N120-F140 VanDerWaalsContact ND2-CD1 3.3Å; N120-F140 WeakPolarHBondContact ND2-CD1 3.42Å; N120-F140 WeakPolarHBondContact ND2-CD2 3.26Å; N120-F140 WeakPolarHBondContact ND2-CE1 3.21Å; N120-F140 VanDerWaalsContact ND2-CE2 3.3Å; N120-F140 WeakPolarHBondContact ND2-CE2 3.43Å; N120-F140 WeakPolarHBondContact ND2-CG 3.4Å; N120-F140 WeakPolarHBondContact ND2-CZ 3.23Å |
| 121 | K | 98.2 | Very high | 98 | Very high | 167 Ų | 167 | 42.7 Ų | 42.7 | 73% | 0.726 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 31.6 | -175.8 | -51.5 | -179.7 | -179.5 | 179.8 | 0 | 113.2 | I117 K118 | I117-K121 PolarHBondContact O-N 2.84Å; K118-K121 PolarHBondContact O-N 2.62Å |
| 122 | G | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | 149.2 | 172.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I117 N120 A147 | I117-G122 PolarHBondContact O-N 3.28Å; N120-G122 VanDerWaalsContact C-N 3.27Å; N120-G122 PolarHBondContact ND2-O 3.17Å; N120-G122 PolarHBondContact O-N 3.48Å; G122-A147 CarbonylContact C-O 3.59Å; G122-A147 VanDerWaalsContact CA-O 3.24Å; G122-A147 WeakPolarHBondContact CA-O 3.46Å | ||
| 123 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 141.4 | 175 | -179.6 | 167.6 | 0 | 0 | 0 | 109 | T71 L74 L88 N92 L93 I117 I145 G146 A147 | T71-I123 HydrophobicContact CG2-CD1 4.11Å; L74-I123 HydrophobicContact CD2-CG2 3.84Å; L88-I123 HydrophobicContact CB-CD1 4.42Å; L88-I123 HydrophobicContact CD1-CG2 4.07Å; L88-I123 HydrophobicContact CD2-CG2 4.18Å; N92-I123 HydrophobicContact CB-CG1 4.35Å; L93-I123 HydrophobicContact CD1-CD1 4.15Å; L93-I123 HydrophobicContact CD2-CD1 3.84Å; L93-I123 HydrophobicContact CG-CD1 3.78Å; I117-I123 HydrophobicContact CD1-CB 4.31Å; I117-I123 HydrophobicContact CD1-CD1 3.85Å; I117-I123 HydrophobicContact CD1-CG2 4.27Å; I117-I123 HydrophobicContact CG1-CB 4.1Å; I117-I123 HydrophobicContact CG1-CD1 4.2Å; I117-I123 HydrophobicContact CG1-CG2 4.46Å; I117-I123 HydrophobicContact CG2-CB 4.12Å; I117-I123 HydrophobicContact CG2-CG2 3.97Å; I123-I145 CarbonylContact O-C 3.57Å; I123-I145 WeakPolarHBondContact O-CA 3.43Å; I123-G146 PolarHBondContact O-N 3.36Å; I123-A147 HydrophobicContact CG2-CB 4.1Å; I123-A147 WeakPolarHBondContact CG2-O 3.37Å; I123-A147 PolarHBondContact N-O 2.77Å; I123-A147 PolarHBondContact O-N 2.77Å |
| 124 | D | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.011 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 156.7 | 178.4 | -79 | -32.1 | 0 | 0 | 0 | 113 | S89 N92 Y129 F140 N141 T144 | S89-D124 WeakPolarHBondContact CB-O 3.43Å; S89-D124 PolarHBondContact N-O 2.92Å; N92-D124 HydrophobicContact CB-CB 4.5Å; N92-D124 PolarHBondContact OD1-N 3.07Å; D124-Y129 HydrophobicContact CB-CD2 4.34Å; D124-F140 WeakPolarHBondContact OD2-CA 3.3Å; D124-F140 WeakPolarHBondContact OD2-CD2 3.48Å; D124-N141 PolarHBondContact OD2-N 3.17Å; D124-T144 WeakPolarHBondContact CA-O 3.5Å; D124-T144 VanDerWaalsContact CG-OG1 3.27Å; D124-T144 VanDerWaalsContact OD1-C 3.23Å; D124-T144 WeakPolarHBondContact OD1-CB 3.42Å; D124-T144 PolarHBondContact OD1-OG1 3.2Å |
| 125 | T | 98.8 | Very high | 98.2 | Very high | 32 Ų | 32 | 54.3 Ų | 54.3 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -70.4 | 153.4 | 168.4 | 70.5 | 0 | 0 | 0 | 0 | 111.7 | V86 S87 K127 S128 Y129 T144 | V86-T125 HydrophobicContact CG1-CG2 3.72Å; S87-T125 CarbonylContact O-C 3.57Å; S87-T125 WeakPolarHBondContact O-CA 3.27Å; T125-K127 PolarHBondContact O-N 3.36Å; T125-S128 PolarHBondContact N-OG 2.93Å; T125-S128 PolarHBondContact O-N 2.8Å; T125-S128 PolarHBondContact O-OG 2.81Å; T125-S128 WeakPolarHBondContact OG1-CB 3.31Å; T125-S128 PolarHBondContact OG1-N 2.69Å; T125-S128 VanDerWaalsContact OG1-N 3.13Å; T125-S128 PolarHBondContact OG1-OG 2.9Å; T125-Y129 PolarHBondContact O-N 2.94Å; T125-T144 PolarHBondContact N-O 3.23Å |
| 126 | E | 98.8 | Very high | 98.3 | Very high | 40 Ų | 40 | 52.7 Ų | 52.7 | 19% | 0.187 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -37.5 | 169.9 | -176.7 | 62.8 | -140.8 | 0 | 0 | 111.7 | K57 S87 Y129 P130 Y131 | K57-E126 IonicContact NZ-OE2 3.32Å; K57-E126 PolarHBondContact NZ-OE2 2.88Å; S87-E126 PolarHBondContact O-N 3.29Å; S87-E126 WeakPolarHBondContact OG-CB 3.45Å; E126-Y129 CarbonylContact O-C 3.6Å; E126-P130 WeakPolarHBondContact O-CA 3.29Å; E126-Y131 WeakPolarHBondContact OE1-CB 3.45Å; E126-Y131 PolarHBondContact OE1-N 3.05Å |
| 127 | K | 98.5 | Very high | 98.3 | Very high | 196 Ų | 196 | 60.9 Ų | 60.9 | 85% | 0.852 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -38 | -178.1 | -174.5 | -178 | 176.3 | -176.4 | 0 | 112.5 | T125 | T125-K127 PolarHBondContact O-N 3.36Š|
| 128 | S | 98.6 | Very high | 98.3 | Very high | 47 Ų | 47 | 64.3 Ų | 64.3 | 33% | 0.329 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -27.4 | -177.6 | 53.7 | 0 | 0 | 0 | 0 | 113.1 | T125 T144 | T125-S128 PolarHBondContact N-OG 2.93Å; T125-S128 PolarHBondContact O-N 2.8Å; T125-S128 PolarHBondContact O-OG 2.81Å; T125-S128 WeakPolarHBondContact OG1-CB 3.31Å; T125-S128 PolarHBondContact OG1-N 2.69Å; T125-S128 VanDerWaalsContact OG1-N 3.13Å; T125-S128 PolarHBondContact OG1-OG 2.9Å; S128-T144 VanDerWaalsContact CB-CB 3.41Å; S128-T144 WeakPolarHBondContact OG-CB 3.49Å |
| 129 | Y | 98.8 | Very high | 98.4 | Very high | 7 Ų | 7 | 65.3 Ų | 65.3 | 3% | 0.027 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -134.8 | 78.9 | 177.8 | -160.6 | -22.2 | 0 | 0 | 0 | 109.4 | S89 Q91 N92 D95 D124 T125 E126 K137 R139 | S89-Y129 VanDerWaalsContact CB-O 3.27Å; S89-Y129 WeakPolarHBondContact CB-O 3.45Å; S89-Y129 WeakPolarHBondContact OG-CB 3.42Å; S89-Y129 PolarHBondContact OG-O 3.19Å; Q91-Y129 HydrophobicContact CB-CD1 3.76Å; Q91-Y129 HydrophobicContact CB-CE1 3.79Å; Q91-Y129 HydrophobicContact CG-CD1 3.88Å; Q91-Y129 HydrophobicContact CG-CE1 3.43Å; Q91-Y129 VanDerWaalsContact CG-CE1 3.43Å; N92-Y129 HydrophobicContact CB-CD2 3.8Å; N92-Y129 HydrophobicContact CB-CE2 4.08Å; N92-Y129 HydrophobicContact CB-CG 4.36Å; D95-Y129 WeakPolarHBondContact CB-OH 3.28Å; D95-Y129 PolarHBondContact OD2-OH 2.64Å; D124-Y129 HydrophobicContact CB-CD2 4.34Å; T125-Y129 PolarHBondContact O-N 2.94Å; E126-Y129 CarbonylContact O-C 3.6Å; Y129-K137 PolarHBondContact OH-O 3.13Å; Y129-R139 HydrophobicContact CE2-CB 3.88Å; Y129-R139 PolarHBondContact OH-N 2.68Å; Y129-R139 PolarHBondContact OH-NH1 2.93Å |
| 130 | P | 98.6 | Very high | 98.4 | Very high | 69 Ų | 69 | 63.7 Ų | 63.7 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | trans | -64.6 | 151.8 | -173.2 | -22.6 | 34.8 | 0 | 0 | 0 | 113.8 | Q91 E126 E132 | Q91-P130 WeakPolarHBondContact CB-O 3.5Å; E126-P130 WeakPolarHBondContact O-CA 3.29Å; P130-E132 PolarHBondContact O-N 3.26Å | ||
| 131 | Y | 98.8 | Very high | 98.4 | Very high | 27 Ų | 27 | 65.7 Ų | 65.7 | 11% | 0.106 | 33% | 0.331 | C | S | . | . | trans | -69.2 | 119 | 174.9 | -170.2 | -110 | 0 | 0 | 0 | 113.8 | D58 Q59 K60 C62 S64 F68 E90 Q91 V94 E126 G133 | D58-Y131 WeakPolarHBondContact O-CE1 3.21Å; Q59-Y131 VanDerWaalsContact O-CE1 3.3Å; Q59-Y131 WeakPolarHBondContact O-CE1 3.02Å; Q59-Y131 PolarHBondContact O-OH 2.79Å; K60-Y131 HydrophobicContact CD-CE1 4.49Å; K60-Y131 HydrophobicContact CG-CE1 4.36Å; C62-Y131 PolarHBondContact SG-OH 3.02Å; C62-Y131 VanDerWaalsContact SG-OH 3.41Å; S64-Y131 PolarHBondContact OG-OH 2.87Å; F68-Y131 HydrophobicContact CE2-CD2 4.24Å; F68-Y131 HydrophobicContact CE2-CE1 4.02Å; F68-Y131 AromaticContact CE2-CE2 3.69Å; F68-Y131 HydrophobicContact CE2-CE2 3.69Å; F68-Y131 AromaticContact CE2-CZ 3.55Å; F68-Y131 AromaticContact CZ-CD1 3.81Å; F68-Y131 HydrophobicContact CZ-CD1 3.81Å; F68-Y131 AromaticContact CZ-CD2 3.89Å; F68-Y131 HydrophobicContact CZ-CD2 3.89Å; F68-Y131 AromaticContact CZ-CE1 3.69Å; F68-Y131 HydrophobicContact CZ-CE1 3.69Å; F68-Y131 AromaticContact CZ-CE2 3.77Å; F68-Y131 HydrophobicContact CZ-CE2 3.77Å; F68-Y131 AromaticContact CZ-CG 3.9Å; F68-Y131 HydrophobicContact CZ-CG 3.9Å; F68-Y131 AromaticContact CZ-CZ 3.66Å; E90-Y131 HydrophobicContact CB-CD2 3.85Å; E90-Y131 HydrophobicContact CB-CE2 4.17Å; Q91-Y131 HydrophobicContact CB-CD2 4.4Å; V94-Y131 HydrophobicContact CG2-CE2 4.5Å; E126-Y131 WeakPolarHBondContact OE1-CB 3.45Å; E126-Y131 PolarHBondContact OE1-N 3.05Å; Y131-G133 VanDerWaalsContact CZ-CA 3.45Å | ||
| 132 | E | 98.5 | Very high | 98.4 | Very high | 80 Ų | 80 | 63.2 Ų | 63.2 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | trans | -96 | -35.8 | -178.1 | -65.2 | 169.7 | -179.6 | 0 | 0 | 110.5 | K60 Q91 P130 I134 R139 | K60-E132 PolarHBondContact NZ-O 3.48Å; K60-E132 VanDerWaalsContact NZ-O 3.11Å; Q91-E132 HydrophobicContact CG-CB 4.44Å; Q91-E132 HydrophobicContact CG-CG 4.38Å; P130-E132 PolarHBondContact O-N 3.26Å; E132-I134 HydrophobicContact CB-CG1 4.07Å; E132-R139 IonicContact OE1-CZ 3.67Å; E132-R139 IonicContact OE1-NH2 3.74Å; E132-R139 PolarHBondContact OE1-NH2 2.98Å; E132-R139 IonicContact OE2-CZ 2.74Å; E132-R139 IonicContact OE2-NH2 3.85Å; E132-R139 PolarHBondContact OE2-NH2 3.46Å | ||
| 133 | G | 97.2 | Very high | 98.4 | Very high | 8 Ų | 8 | 67.4 Ų | 67.4 | 8% | 0.082 | 36% | 0.361 | C | S | . | . | S | Bend | trans | 79.7 | 25.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | C62 Y131 | C62-G133 WeakPolarHBondContact CB-O 3.08Å; Y131-G133 VanDerWaalsContact CZ-CA 3.45Å |
| 134 | I | 98 | Very high | 98.4 | Very high | 107 Ų | 107 | 69.4 Ų | 69.4 | 55% | 0.549 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -143.4 | 160.6 | 174.3 | 56.8 | 171.9 | 0 | 0 | 0 | 108.6 | Q91 E132 | Q91-I134 PolarHBondContact NE2-O 3.09Å; E132-I134 HydrophobicContact CB-CG1 4.07Å |
| 135 | D | 98.2 | Very high | 98.4 | Very high | 84 Ų | 84 | 72.3 Ų | 72.3 | 45% | 0.449 | 39% | 0.388 | S | S | . | . | trans | -70.5 | 131.7 | 172.3 | -68.2 | -43.5 | 0 | 0 | 0 | 110.8 | G104 C105 | G104-D135 VanDerWaalsContact CA-OD1 3.25Å; G104-D135 WeakPolarHBondContact CA-OD1 3.32Å; C105-D135 PolarHBondContact N-OD1 3.32Å | ||
| 136 | G | 97.7 | Very high | 98.3 | Very high | 32 Ų | 32 | 71.4 Ų | 71.4 | 33% | 0.33 | 38% | 0.384 | S | S | . | . | trans | -128.8 | 178.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D95 | D95-G136 VanDerWaalsContact OD1-CA 3.29Å; D95-G136 WeakPolarHBondContact OD1-CA 3.4Å; D95-G136 PolarHBondContact OD1-N 3.07Å | ||
| 137 | K | 98.3 | Very high | 98.3 | Very high | 179 Ų | 179 | 69.6 Ų | 69.6 | 78% | 0.778 | 38% | 0.376 | S | S | * | . | trans | -78.2 | 140.5 | 168.4 | -68 | -176.3 | 179.8 | 178.7 | 0 | 109.1 | Y129 R139 | Y129-K137 PolarHBondContact OH-O 3.13Å; K137-R139 WeakPolarHBondContact O-CG 3.47Å; K137-R139 PolarHBondContact O-N 2.79Å; K137-R139 PolarHBondContact O-NH1 3.33Å | ||
| 138 | C | 98.7 | Very high | 98.3 | Very high | 71 Ų | 71 | 62.6 Ų | 62.6 | 48% | 0.48 | 35% | 0.35 | S | S | . | . | trans | -57.4 | 123.6 | 173.9 | -178.5 | 0 | 0 | 0 | 0 | 112 | C96 | C96-C138 HydrophobicContact CB-CB 3.87Å; C96-C138 WeakPolarHBondContact CB-SG 3.3Å; C96-C138 WeakPolarHBondContact SG-CA 3.28Å; C96-C138 WeakPolarHBondContact SG-CB 3.29Å; C96-C138 CovalentContact SG-SG 2.04Å; C96-C138 PolarHBondContact SG-SG 2.98Å | ||
| 139 | R | 98.5 | Very high | 98.2 | Very high | 108 Ų | 108 | 60.6 Ų | 60.6 | 41% | 0.408 | 34% | 0.336 | S | S | . | . | trans | -123.7 | 24.4 | 179.2 | -62 | 177.3 | -58.6 | -75.8 | 18.2 | 113.2 | D95 Y129 E132 K137 N141 | D95-R139 IonicContact OD2-CZ 2.76Å; D95-R139 IonicContact OD2-NH1 2.9Å; D95-R139 PolarHBondContact OD2-NH1 3.37Å; D95-R139 IonicContact OD2-NH2 3.97Å; Y129-R139 HydrophobicContact CE2-CB 3.88Å; Y129-R139 PolarHBondContact OH-N 2.68Å; Y129-R139 PolarHBondContact OH-NH1 2.93Å; E132-R139 IonicContact OE1-CZ 3.67Å; E132-R139 IonicContact OE1-NH2 3.74Å; E132-R139 PolarHBondContact OE1-NH2 2.98Å; E132-R139 IonicContact OE2-CZ 2.74Å; E132-R139 IonicContact OE2-NH2 3.85Å; E132-R139 PolarHBondContact OE2-NH2 3.46Å; K137-R139 WeakPolarHBondContact O-CG 3.47Å; K137-R139 PolarHBondContact O-N 2.79Å; K137-R139 PolarHBondContact O-NH1 3.33Å; R139-N141 PolarHBondContact O-N 2.78Å | ||
| 140 | F | 98.7 | Very high | 98.1 | Very high | 41 Ų | 41 | 65.7 Ų | 65.7 | 18% | 0.18 | 36% | 0.359 | C | S | . | . | trans | -52.2 | 136.1 | -178.9 | 169.3 | -109.7 | 0 | 0 | 0 | 112 | N92 N120 D124 N142 I145 | N92-F140 WeakPolarHBondContact OD1-CD2 3.25Å; N120-F140 VanDerWaalsContact ND2-CD1 3.3Å; N120-F140 WeakPolarHBondContact ND2-CD1 3.42Å; N120-F140 WeakPolarHBondContact ND2-CD2 3.26Å; N120-F140 WeakPolarHBondContact ND2-CE1 3.21Å; N120-F140 VanDerWaalsContact ND2-CE2 3.3Å; N120-F140 WeakPolarHBondContact ND2-CE2 3.43Å; N120-F140 WeakPolarHBondContact ND2-CG 3.4Å; N120-F140 WeakPolarHBondContact ND2-CZ 3.23Å; D124-F140 WeakPolarHBondContact OD2-CA 3.3Å; D124-F140 WeakPolarHBondContact OD2-CD2 3.48Å; F140-N142 WeakPolarHBondContact CE1-OD1 3.25Å; F140-N142 VanDerWaalsContact CZ-OD1 3.22Å; F140-N142 WeakPolarHBondContact CZ-OD1 3.43Å; F140-I145 HydrophobicContact CE2-CG1 3.97Å; F140-I145 HydrophobicContact CZ-CD1 4.07Å; F140-I145 HydrophobicContact CZ-CG1 3.86Å | ||
| 141 | N | 98.5 | Very high | 97.9 | Very high | 82 Ų | 82 | 62.6 Ų | 62.6 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | trans | -128.8 | 115.5 | -179.4 | -179.1 | -2.5 | 0 | 0 | 0 | 112.2 | D124 R139 A143 T144 | D124-N141 PolarHBondContact OD2-N 3.17Å; R139-N141 PolarHBondContact O-N 2.78Å; N141-A143 PolarHBondContact O-N 3.1Å; N141-A143 WeakPolarHBondContact OD1-CB 3.46Å; N141-A143 PolarHBondContact OD1-N 3.26Å; N141-T144 PolarHBondContact O-N 3.21Å; N141-T144 PolarHBondContact O-OG1 3.34Å | ||
| 142 | N | 97.7 | Very high | 97.8 | Very high | 116 Ų | 116 | 63.3 Ų | 63.3 | 62% | 0.62 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -53.3 | -27.8 | 178.1 | -79.6 | -15 | 0 | 0 | 0 | 114.5 | F140 T144 I145 | F140-N142 WeakPolarHBondContact CE1-OD1 3.25Å; F140-N142 VanDerWaalsContact CZ-OD1 3.22Å; F140-N142 WeakPolarHBondContact CZ-OD1 3.43Å; N142-T144 PolarHBondContact O-N 2.78Å; N142-I145 HydrophobicContact CB-CD1 4.44Å; N142-I145 WeakPolarHBondContact O-CD1 3.22Å; N142-I145 WeakPolarHBondContact O-CG1 3.25Å |
| 143 | A | 98.4 | Very high | 97.7 | Very high | 88 Ų | 88 | 59.5 Ų | 59.5 | 73% | 0.727 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -72.6 | -11.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | N141 | N141-A143 PolarHBondContact O-N 3.1Å; N141-A143 WeakPolarHBondContact OD1-CB 3.46Å; N141-A143 PolarHBondContact OD1-N 3.26Å |
| 144 | T | 98.4 | Very high | 97.7 | Very high | 41 Ų | 41 | 60 Ų | 60 | 25% | 0.252 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -121.9 | 18.9 | -173.7 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | D124 T125 S128 N141 N142 G146 | D124-T144 WeakPolarHBondContact CA-O 3.5Å; D124-T144 VanDerWaalsContact CG-OG1 3.27Å; D124-T144 VanDerWaalsContact OD1-C 3.23Å; D124-T144 WeakPolarHBondContact OD1-CB 3.42Å; D124-T144 PolarHBondContact OD1-OG1 3.2Å; T125-T144 PolarHBondContact N-O 3.23Å; S128-T144 VanDerWaalsContact CB-CB 3.41Å; S128-T144 WeakPolarHBondContact OG-CB 3.49Å; N141-T144 PolarHBondContact O-N 3.21Å; N141-T144 PolarHBondContact O-OG1 3.34Å; N142-T144 PolarHBondContact O-N 2.78Å; T144-G146 PolarHBondContact O-N 3.45Å |
| 145 | I | 98.5 | Very high | 97.6 | Very high | 64 Ų | 64 | 55.3 Ų | 55.3 | 33% | 0.328 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 120.8 | 174.9 | -67.7 | 168.8 | 0 | 0 | 0 | 109.9 | I123 F140 N142 A147 T148 | I123-I145 CarbonylContact O-C 3.57Å; I123-I145 WeakPolarHBondContact O-CA 3.43Å; F140-I145 HydrophobicContact CE2-CG1 3.97Å; F140-I145 HydrophobicContact CZ-CD1 4.07Å; F140-I145 HydrophobicContact CZ-CG1 3.86Å; N142-I145 HydrophobicContact CB-CD1 4.44Å; N142-I145 WeakPolarHBondContact O-CD1 3.22Å; N142-I145 WeakPolarHBondContact O-CG1 3.25Å; I145-A147 WeakPolarHBondContact CG2-O 3.49Å; I145-T148 HydrophobicContact CG2-CG2 4.17Å |
| 146 | G | 98.3 | Very high | 97.4 | Very high | 12 Ų | 12 | 55.3 Ų | 55.3 | 12% | 0.124 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -28 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | I123 T144 | I123-G146 PolarHBondContact O-N 3.36Å; T144-G146 PolarHBondContact O-N 3.45Å |
| 147 | A | 98.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 58.8 Ų | 58.8 | 3% | 0.025 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 162.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L74 H78 L88 G122 I123 I145 | L74-A147 HydrophobicContact CD2-CB 4.13Å; L74-A147 HydrophobicContact CG-CB 4.21Å; H78-A147 HydrophobicContact CB-CB 4.5Å; L88-A147 HydrophobicContact CD1-CB 3.75Å; L88-A147 HydrophobicContact CD2-CB 3.72Å; L88-A147 HydrophobicContact CG-CB 4.39Å; G122-A147 CarbonylContact C-O 3.59Å; G122-A147 VanDerWaalsContact CA-O 3.24Å; G122-A147 WeakPolarHBondContact CA-O 3.46Å; I123-A147 HydrophobicContact CG2-CB 4.1Å; I123-A147 WeakPolarHBondContact CG2-O 3.37Å; I123-A147 PolarHBondContact N-O 2.77Å; I123-A147 PolarHBondContact O-N 2.77Å; I145-A147 WeakPolarHBondContact CG2-O 3.49Å |
| 148 | T | 97.9 | Very high | 97.1 | Very high | 48 Ų | 48 | 53.5 Ų | 53.5 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | trans | -124.2 | 162 | 171 | 55.9 | 0 | 0 | 0 | 0 | 109.9 | I145 | I145-T148 HydrophobicContact CG2-CG2 4.17Š| ||
| 149 | D | 97.2 | Very high | 96.9 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | trans | -134.5 | 144 | 178.6 | -174.8 | 17.9 | 0 | 0 | 0 | 109.8 | L74 F114 I117 K118 G151 L256 | L74-D149 HydrophobicContact CD1-CB 4.47Å; F114-D149 WeakPolarHBondContact CA-OD2 3.36Å; F114-D149 VanDerWaalsContact CB-OD2 3.32Å; F114-D149 WeakPolarHBondContact CB-OD2 3.12Å; I117-D149 HydrophobicContact CB-CB 4.02Å; I117-D149 HydrophobicContact CG2-CB 3.6Å; K118-D149 VanDerWaalsContact CA-O 3.31Å; K118-D149 WeakPolarHBondContact CA-O 3.42Å; D149-G151 PolarHBondContact OD1-N 3.46Å; D149-L256 PolarHBondContact OD1-N 2.96Å; D149-L256 VanDerWaalsContact OD1-O 3.08Å | ||
| 150 | H | 96.1 | Very high | 96.9 | Very high | 114 Ų | 114 | 48.2 Ų | 48.2 | 53% | 0.528 | 26% | 0.262 | S | S | . | . | trans | -103.4 | -0.5 | 175.5 | -58.8 | 135.1 | 0 | 0 | 0 | 112.9 | L256 V257 | H150-L256 WeakPolarHBondContact CA-O 3.31Å; H150-L256 VanDerWaalsContact CB-O 3.24Å; H150-L256 WeakPolarHBondContact CB-O 3.14Å; H150-L256 PolarHBondContact N-O 2.98Å; H150-V257 PolarHBondContact CE1-OXT 3.46Å; H150-V257 PolarHBondContact ND1-OXT 3.41Å | ||
| 151 | G | 94.9 | Very high | 96.7 | Very high | 5 Ų | 5 | 50 Ų | 50 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | trans | 136 | -161.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | D149 P255 L256 | D149-G151 PolarHBondContact OD1-N 3.46Å; G151-P255 CarbonylContact O-C 3.47Å; G151-P255 WeakPolarHBondContact O-CA 3.45Å; G151-L256 WeakPolarHBondContact O-CB 3.39Å; G151-L256 PolarHBondContact O-N 3.47Å | ||
| 152 | Y | 96.7 | Very high | 96.6 | Very high | 41 Ų | 41 | 46.2 Ų | 46.2 | 16% | 0.161 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 162.4 | -178.8 | 60.8 | -81.1 | 0 | 0 | 0 | 111.8 | V30 D111 F114 E115 F254 | V30-Y152 HydrophobicContact CB-CE2 4.25Å; V30-Y152 HydrophobicContact CG1-CD2 3.86Å; V30-Y152 HydrophobicContact CG1-CE2 3.45Å; V30-Y152 VanDerWaalsContact CG1-CE2 3.45Å; V30-Y152 HydrophobicContact CG2-CE2 3.66Å; V30-Y152 WeakPolarHBondContact CG2-OH 3.46Å; D111-Y152 HydrophobicContact CB-CD2 4.02Å; D111-Y152 HydrophobicContact CB-CE1 4.33Å; D111-Y152 HydrophobicContact CB-CE2 3.57Å; D111-Y152 WeakPolarHBondContact O-CE1 3.5Å; F114-Y152 HydrophobicContact CB-CD1 3.86Å; F114-Y152 HydrophobicContact CB-CG 4.18Å; F114-Y152 HydrophobicContact CD2-CG 4.15Å; E115-Y152 HydrophobicContact CB-CE1 4.3Å; Y152-F254 VanDerWaalsContact CA-O 3.27Å; Y152-F254 WeakPolarHBondContact CA-O 3.14Å; Y152-F254 WeakPolarHBondContact CB-O 3.02Å |
| 153 | A | 96.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 134 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | R31 S253 F254 L256 | R31-A153 HydrophobicContact CB-CB 4.28Å; R31-A153 HydrophobicContact CG-CB 4.31Å; R31-A153 CarbonylContact O-C 3.45Å; R31-A153 WeakPolarHBondContact O-CA 3.31Å; A153-S253 VanDerWaalsContact O-CA 3.26Å; A153-S253 WeakPolarHBondContact O-CA 3.01Å; A153-S253 WeakPolarHBondContact O-CB 3.3Å; A153-F254 HydrophobicContact CB-CE1 4.07Å; A153-F254 HydrophobicContact CB-CE2 3.95Å; A153-F254 HydrophobicContact CB-CZ 3.69Å; A153-F254 PolarHBondContact N-O 2.82Å; A153-F254 PolarHBondContact O-N 3.47Å; A153-F254 VanDerWaalsContact O-N 3.08Å; A153-L256 HydrophobicContact CB-CD2 4.34Å |
| 154 | D | 96.2 | Very high | 96.6 | Very high | 18 Ų | 18 | 38.3 Ų | 38.3 | 10% | 0.096 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 138.6 | 171.1 | -77.7 | -3 | 0 | 0 | 0 | 109.2 | K27 V30 R31 V32 Y33 | K27-D154 IonicContact NZ-OD2 3.84Å; K27-D154 PolarHBondContact NZ-OD2 2.66Å; V30-D154 HydrophobicContact CG1-CB 3.99Å; R31-D154 PolarHBondContact O-N 2.65Å; V32-D154 CarbonylContact C-O 3.54Å; V32-D154 VanDerWaalsContact CA-O 3.29Å; V32-D154 WeakPolarHBondContact CA-O 3.28Å; Y33-D154 PolarHBondContact N-O 3.22Å |
| 155 | I | 95.8 | Very high | 96.5 | Very high | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 144.4 | 168 | -62.6 | 171.4 | 0 | 0 | 0 | 108.3 | Y33 K157 A162 L163 A166 I173 A252 F254 | Y33-I155 HydrophobicContact CD1-CG1 4.28Å; I155-K157 PolarHBondContact O-N 2.04Å; I155-K157 VanDerWaalsContact O-N 3.15Å; I155-A162 HydrophobicContact CG2-CB 3.73Å; I155-L163 HydrophobicContact CD1-CD1 3.75Å; I155-L163 HydrophobicContact CG2-CB 4.44Å; I155-A166 HydrophobicContact CD1-CB 3.34Å; I155-A166 HydrophobicContact CG1-CB 4.04Å; I155-I173 HydrophobicContact CD1-CD1 4.36Å; I155-I173 HydrophobicContact CD1-CG1 4.34Å; I155-I173 HydrophobicContact CD1-CG2 3.56Å; I155-A252 HydrophobicContact CB-CB 4.05Å; I155-A252 HydrophobicContact CD1-CB 4.03Å; I155-A252 HydrophobicContact CG1-CB 4.47Å; I155-A252 PolarHBondContact N-O 3.41Å; I155-F254 HydrophobicContact CD1-CD1 4.21Å; I155-F254 HydrophobicContact CD1-CE1 4.42Å; I155-F254 HydrophobicContact CG1-CD1 4.1Å; I155-F254 HydrophobicContact CG1-CE1 3.99Å |
| 156 | M | 94 | Very high | 96.4 | Very high | 84 Ų | 84 | 33.9 Ų | 33.9 | 41% | 0.414 | 18% | 0.176 | S | C | . | . | P | Polyproline II helix | trans | -49 | 123 | 178 | -175 | 175.5 | -74 | 0 | 0 | 111.4 | V32 A34 D158 N159 A162 | V32-M156 HydrophobicContact CG1-CB 4.5Å; A34-M156 HydrophobicContact CB-CE 4.23Å; M156-D158 PolarHBondContact O-N 3.45Å; M156-N159 HydrophobicContact CB-CB 4.11Å; M156-N159 HydrophobicContact CG-CB 4.12Å; M156-N159 WeakPolarHBondContact O-CB 3.29Å; M156-N159 PolarHBondContact O-N 2.95Å; M156-N159 HydrophobicContact SD-CB 4.44Å; M156-N159 PolarHBondContact SD-ND2 2.78Å; M156-A162 HydrophobicContact CB-CB 4.26Å |
| 157 | K | 94.1 | Very high | 96.4 | Very high | 106 Ų | 106 | 33.3 Ų | 33.3 | 46% | 0.461 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 137.8 | -176.4 | -176.8 | -176.6 | -178.1 | -140.6 | 0 | 111.4 | I155 N159 E200 S250 | I155-K157 PolarHBondContact O-N 2.04Å; I155-K157 VanDerWaalsContact O-N 3.15Å; K157-N159 PolarHBondContact O-N 3.43Å; K157-N159 VanDerWaalsContact O-N 3.14Å; K157-E200 IonicContact NZ-OE1 3.13Å; K157-E200 PolarHBondContact NZ-OE1 3.21Å; K157-E200 IonicContact NZ-OE2 3.74Å; K157-E200 PolarHBondContact NZ-OE2 3.37Å; K157-E200 VanDerWaalsContact NZ-OE2 3.13Å; K157-S250 WeakPolarHBondContact CG-O 3.32Å |
| 158 | D | 95.7 | Very high | 96.3 | Very high | 68 Ų | 68 | 33.8 Ų | 33.8 | 36% | 0.364 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 16.5 | 174.6 | -54.6 | -38.6 | 0 | 0 | 0 | 114 | M156 N244 A249 S250 | M156-D158 PolarHBondContact O-N 3.45Å; D158-N244 PolarHBondContact OD1-ND2 3.32Å; D158-A249 PolarHBondContact N-O 2.73Å; D158-S250 WeakPolarHBondContact OD1-CA 3.44Å; D158-S250 VanDerWaalsContact OD1-CB 3.28Å; D158-S250 WeakPolarHBondContact OD1-CB 3.33Å; D158-S250 PolarHBondContact OD1-OG 2.83Å |
| 159 | N | 95.7 | Very high | 96.2 | Very high | 51 Ų | 51 | 34.7 Ų | 34.7 | 27% | 0.273 | 18% | 0.177 | S | C | . | . | trans | -108.2 | 91 | -176 | -168.5 | -27.1 | 0 | 0 | 0 | 111.6 | M156 K157 T161 A162 L163 | M156-N159 HydrophobicContact CB-CB 4.11Å; M156-N159 HydrophobicContact CG-CB 4.12Å; M156-N159 WeakPolarHBondContact O-CB 3.29Å; M156-N159 PolarHBondContact O-N 2.95Å; M156-N159 HydrophobicContact SD-CB 4.44Å; M156-N159 PolarHBondContact SD-ND2 2.78Å; K157-N159 PolarHBondContact O-N 3.43Å; K157-N159 VanDerWaalsContact O-N 3.14Å; N159-T161 PolarHBondContact O-N 3.48Å; N159-T161 WeakPolarHBondContact OD1-CB 3.42Å; N159-T161 PolarHBondContact OD1-N 3.02Å; N159-T161 VanDerWaalsContact OD1-N 3.11Å; N159-A162 HydrophobicContact CB-CB 3.9Å; N159-A162 PolarHBondContact O-N 2.9Å; N159-A162 VanDerWaalsContact O-N 3.16Å; N159-A162 PolarHBondContact OD1-N 3.23Å; N159-L163 PolarHBondContact O-N 3.24Å | ||
| 160 | E | 97.4 | Very high | 96.1 | Very high | 17 Ų | 17 | 36.1 Ų | 36.1 | 8% | 0.079 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.2 | -27.8 | 177.4 | -68.6 | -164.1 | 75.7 | 0 | 0 | 113 | M164 W220 R240 N241 K242 N244 A249 | E160-M164 WeakPolarHBondContact O-CB 3.42Å; E160-M164 PolarHBondContact O-N 3.15Å; E160-W220 HydrophobicContact CB-CZ2 4.14Å; E160-W220 HydrophobicContact CG-CZ2 4.48Å; E160-W220 PolarHBondContact OE1-NE1 3.27Å; E160-R240 WeakPolarHBondContact OE1-CA 3.3Å; E160-N241 VanDerWaalsContact CD-N 3.29Å; E160-N241 PolarHBondContact OE1-N 2.78Å; E160-N241 WeakPolarHBondContact OE2-CA 3.37Å; E160-N241 PolarHBondContact OE2-N 2.56Å; E160-K242 PolarHBondContact OE2-N 2.81Å; E160-N244 HydrophobicContact CG-CB 4.46Å; E160-N244 WeakPolarHBondContact OE2-CA 3.5Å; E160-N244 PolarHBondContact OE2-N 3.31Å; E160-A249 HydrophobicContact CG-CB 4.02Å |
| 161 | T | 95.5 | Very high | 96.2 | Very high | 78 Ų | 78 | 30.7 Ų | 30.7 | 48% | 0.479 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -70 | -43.7 | 175.6 | -61.2 | 0 | 0 | 0 | 0 | 110.8 | N159 L163 M164 L165 | N159-T161 PolarHBondContact O-N 3.48Å; N159-T161 WeakPolarHBondContact OD1-CB 3.42Å; N159-T161 PolarHBondContact OD1-N 3.02Å; N159-T161 VanDerWaalsContact OD1-N 3.11Å; T161-L163 VanDerWaalsContact C-N 3.32Å; T161-L163 PolarHBondContact O-N 3.11Å; T161-M164 PolarHBondContact O-N 3.16Å; T161-L165 HydrophobicContact CG2-CD1 4.02Å; T161-L165 VanDerWaalsContact O-CG 3.28Å; T161-L165 WeakPolarHBondContact O-CG 3.44Å; T161-L165 PolarHBondContact O-N 3.16Å |
| 162 | A | 96 | Very high | 96.3 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 2% | 0.017 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.3 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P35 I155 M156 N159 L165 A166 | P35-A162 HydrophobicContact CG-CB 4.17Å; I155-A162 HydrophobicContact CG2-CB 3.73Å; M156-A162 HydrophobicContact CB-CB 4.26Å; N159-A162 HydrophobicContact CB-CB 3.9Å; N159-A162 PolarHBondContact O-N 2.9Å; N159-A162 VanDerWaalsContact O-N 3.16Å; N159-A162 PolarHBondContact OD1-N 3.23Å; A162-L165 PolarHBondContact O-N 2.57Å; A162-A166 WeakPolarHBondContact O-CB 3.25Å; A162-A166 PolarHBondContact O-N 2.89Å |
| 163 | L | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 172.8 | 179.2 | 57.9 | 0 | 0 | 0 | 111.6 | I155 N159 T161 L165 A166 V167 I173 V175 W220 A249 A252 | I155-L163 HydrophobicContact CD1-CD1 3.75Å; I155-L163 HydrophobicContact CG2-CB 4.44Å; N159-L163 PolarHBondContact O-N 3.24Å; T161-L163 VanDerWaalsContact C-N 3.32Å; T161-L163 PolarHBondContact O-N 3.11Å; L163-L165 VanDerWaalsContact C-N 3.34Å; L163-L165 PolarHBondContact O-N 3.32Å; L163-A166 PolarHBondContact O-N 2.81Å; L163-V167 HydrophobicContact CD1-CG2 4.08Å; L163-V167 HydrophobicContact CG-CG2 4.45Å; L163-V167 VanDerWaalsContact O-CG2 3.3Å; L163-V167 WeakPolarHBondContact O-CG2 3.16Å; L163-V167 PolarHBondContact O-N 3.24Å; L163-I173 HydrophobicContact CD1-CB 4.15Å; L163-I173 HydrophobicContact CD1-CG1 4.4Å; L163-I173 HydrophobicContact CD1-CG2 3.72Å; L163-V175 HydrophobicContact CD1-CG1 4.17Å; L163-V175 HydrophobicContact CD2-CG1 4.37Å; L163-W220 HydrophobicContact CB-CH2 4.04Å; L163-W220 HydrophobicContact CB-CZ2 4.27Å; L163-W220 HydrophobicContact CD2-CD2 4.46Å; L163-W220 HydrophobicContact CD2-CH2 4Å; L163-W220 HydrophobicContact CD2-CZ2 3.77Å; L163-W220 HydrophobicContact CD2-CZ3 4.44Å; L163-W220 HydrophobicContact CG-CH2 3.72Å; L163-W220 HydrophobicContact CG-CZ2 4Å; L163-W220 HydrophobicContact CG-CZ3 4.11Å; L163-A249 HydrophobicContact CB-CB 4.41Å; L163-A249 HydrophobicContact CD2-CB 4.05Å; L163-A252 HydrophobicContact CD1-CB 4.03Å |
| 164 | M | 97.2 | Very high | 96.6 | Very high | 39 Ų | 39 | 28.5 Ų | 28.5 | 19% | 0.192 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.4 | -45.3 | 179.8 | -173.7 | -172.4 | 68.5 | 0 | 0 | 111.3 | V41 E160 T161 A166 V167 A168 Y211 W220 | V41-M164 HydrophobicContact CG2-CE 3.77Å; V41-M164 HydrophobicContact CG2-SD 4.5Å; E160-M164 WeakPolarHBondContact O-CB 3.42Å; E160-M164 PolarHBondContact O-N 3.15Å; T161-M164 PolarHBondContact O-N 3.16Å; M164-A166 VanDerWaalsContact C-N 3.34Å; M164-V167 PolarHBondContact O-N 2.81Å; M164-A168 WeakPolarHBondContact O-CB 3.41Å; M164-A168 PolarHBondContact O-N 2.7Å; M164-Y211 HydrophobicContact CG-CD1 4.05Å; M164-Y211 HydrophobicContact CG-CD2 4.23Å; M164-Y211 HydrophobicContact CG-CE1 3.69Å; M164-Y211 HydrophobicContact CG-CE2 3.88Å; M164-Y211 HydrophobicContact CG-CG 4.31Å; M164-Y211 WeakPolarHBondContact O-CE1 3.3Å; M164-Y211 HydrophobicContact SD-CE2 4.22Å; M164-W220 HydrophobicContact CB-CH2 3.7Å; M164-W220 HydrophobicContact CB-CZ3 4.26Å; M164-W220 HydrophobicContact CG-CH2 4.44Å |
| 165 | L | 96.6 | Very high | 96.7 | Very high | 12 Ų | 12 | 27.6 Ų | 27.6 | 6% | 0.063 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.8 | -37.1 | 178.7 | -68.3 | 171.7 | 0 | 0 | 0 | 111.5 | P35 A39 V41 T161 A162 L163 N169 | P35-L165 HydrophobicContact CB-CB 3.9Å; P35-L165 HydrophobicContact CB-CD1 3.67Å; P35-L165 HydrophobicContact CB-CG 4.39Å; P35-L165 HydrophobicContact CG-CB 3.78Å; P35-L165 HydrophobicContact CG-CD1 3.42Å; P35-L165 VanDerWaalsContact CG-CD1 3.42Å; P35-L165 HydrophobicContact CG-CG 4.22Å; A39-L165 HydrophobicContact CB-CD2 4.22Å; V41-L165 HydrophobicContact CB-CD2 4.43Å; V41-L165 HydrophobicContact CG1-CD2 3.52Å; V41-L165 HydrophobicContact CG2-CD2 4.02Å; T161-L165 HydrophobicContact CG2-CD1 4.02Å; T161-L165 VanDerWaalsContact O-CG 3.28Å; T161-L165 WeakPolarHBondContact O-CG 3.44Å; T161-L165 PolarHBondContact O-N 3.16Å; A162-L165 PolarHBondContact O-N 2.57Å; L163-L165 VanDerWaalsContact C-N 3.34Å; L163-L165 PolarHBondContact O-N 3.32Å; L165-N169 VanDerWaalsContact O-CB 3.29Å; L165-N169 WeakPolarHBondContact O-CB 3.49Å; L165-N169 PolarHBondContact O-N 2.85Å; L165-N169 PolarHBondContact O-ND2 2.88Å |
| 166 | A | 97 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.4 | -47.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y33 I155 A162 L163 M164 A168 N169 I170 G171 I173 | Y33-A166 HydrophobicContact CD1-CB 3.87Å; Y33-A166 HydrophobicContact CE1-CB 3.6Å; I155-A166 HydrophobicContact CD1-CB 3.34Å; I155-A166 HydrophobicContact CG1-CB 4.04Å; A162-A166 WeakPolarHBondContact O-CB 3.25Å; A162-A166 PolarHBondContact O-N 2.89Å; L163-A166 PolarHBondContact O-N 2.81Å; M164-A166 VanDerWaalsContact C-N 3.34Å; A166-A168 PolarHBondContact O-N 2.69Å; A166-N169 PolarHBondContact O-N 3.24Å; A166-I170 WeakPolarHBondContact O-CA 3.11Å; A166-I170 WeakPolarHBondContact O-CB 3.38Å; A166-I170 PolarHBondContact O-N 2.92Å; A166-G171 PolarHBondContact O-N 3.05Å; A166-I173 HydrophobicContact CB-CD1 4Å; A166-I173 HydrophobicContact CB-CG1 4.24Å |
| 167 | V | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.9 | -39.9 | 178.4 | 174.3 | 0 | 0 | 0 | 0 | 111 | V45 W47 L163 M164 G171 I173 V208 Y211 W220 | V45-V167 HydrophobicContact CG1-CG1 4.35Å; W47-V167 WeakPolarHBondContact CZ2-O 3.35Å; W47-V167 PolarHBondContact NE1-O 2.91Å; L163-V167 HydrophobicContact CD1-CG2 4.08Å; L163-V167 HydrophobicContact CG-CG2 4.45Å; L163-V167 VanDerWaalsContact O-CG2 3.3Å; L163-V167 WeakPolarHBondContact O-CG2 3.16Å; L163-V167 PolarHBondContact O-N 3.24Å; M164-V167 PolarHBondContact O-N 2.81Å; V167-G171 WeakPolarHBondContact CA-O 3.43Å; V167-I173 HydrophobicContact CB-CG1 4.48Å; V167-I173 HydrophobicContact CG2-CB 4.24Å; V167-I173 HydrophobicContact CG2-CG1 3.64Å; V167-V208 HydrophobicContact CG1-CG1 4.42Å; V167-V208 HydrophobicContact CG2-CB 4.26Å; V167-V208 HydrophobicContact CG2-CG1 3.59Å; V167-Y211 HydrophobicContact CB-CD1 4.08Å; V167-Y211 HydrophobicContact CB-CE1 4.08Å; V167-Y211 HydrophobicContact CG1-CD1 3.72Å; V167-Y211 HydrophobicContact CG1-CE1 3.92Å; V167-W220 HydrophobicContact CG2-CZ3 4.25Å |
| 168 | A | 96.7 | Very high | 97.2 | Very high | 12 Ų | 12 | 18.4 Ų | 18.4 | 10% | 0.099 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.8 | -45.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V41 M164 A166 Y211 | V41-A168 HydrophobicContact CB-CB 3.68Å; V41-A168 HydrophobicContact CG1-CB 3.54Å; V41-A168 HydrophobicContact CG2-CB 4.35Å; M164-A168 WeakPolarHBondContact O-CB 3.41Å; M164-A168 PolarHBondContact O-N 2.7Å; A166-A168 PolarHBondContact O-N 2.69Å; A168-Y211 HydrophobicContact CB-CE1 4.27Å; A168-Y211 WeakPolarHBondContact CB-OH 3.41Å |
| 169 | N | 94.9 | Very high | 97.3 | Very high | 67 Ų | 67 | 15.1 Ų | 15.1 | 36% | 0.358 | 8% | 0.084 | S | C | . | . | H | α-helix | trans | -96.9 | -19.2 | -167.7 | -66.8 | -58.3 | 0 | 0 | 0 | 114 | R80 L165 A166 | R80-N169 VanDerWaalsContact NH1-C 3.28Å; R80-N169 PolarHBondContact NH1-O 3.49Å; R80-N169 PolarHBondContact NH2-O 3.27Å; L165-N169 VanDerWaalsContact O-CB 3.29Å; L165-N169 WeakPolarHBondContact O-CB 3.49Å; L165-N169 PolarHBondContact O-N 2.85Å; L165-N169 PolarHBondContact O-ND2 2.88Å; A166-N169 PolarHBondContact O-N 3.24Å |
| 170 | I | 95.8 | Very high | 97.3 | Very high | 36 Ų | 36 | 13.7 Ų | 13.7 | 19% | 0.185 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -52.6 | -174.5 | -53.4 | -60.3 | 0 | 0 | 0 | 110.4 | Y33 Q77 R80 A166 I173 F254 | Y33-I170 HydrophobicContact CE2-CD1 4.43Å; Y33-I170 HydrophobicContact CE2-CG1 4.43Å; Q77-I170 PolarHBondContact NE2-O 2.78Å; Q77-I170 VanDerWaalsContact OE1-CG2 3.26Å; Q77-I170 PolarHBondContact OE1-O 3.24Å; R80-I170 WeakPolarHBondContact CD-O 3.04Å; R80-I170 PolarHBondContact NH1-O 3.45Å; A166-I170 WeakPolarHBondContact O-CA 3.11Å; A166-I170 WeakPolarHBondContact O-CB 3.38Å; A166-I170 PolarHBondContact O-N 2.92Å; I170-I173 HydrophobicContact CB-CD1 4.34Å; I170-I173 HydrophobicContact CG2-CD1 4.36Å; I170-F254 HydrophobicContact CD1-CE2 4.44Å; I170-F254 HydrophobicContact CD1-CZ 4.47Å; I170-F254 HydrophobicContact CG1-CE2 4.29Å; I170-F254 HydrophobicContact CG1-CZ 4.12Å; I170-F254 HydrophobicContact CG2-CD2 3.61Å; I170-F254 HydrophobicContact CG2-CE2 3.82Å; I170-F254 HydrophobicContact CG2-CG 4Å; I170-F254 HydrophobicContact CG2-CZ 4.37Å |
| 171 | G | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | trans | 142.3 | -150.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W47 A166 V167 | W47-G171 VanDerWaalsContact NE1-C 3.34Å; W47-G171 PolarHBondContact NE1-O 2.97Å; A166-G171 PolarHBondContact O-N 3.05Å; V167-G171 WeakPolarHBondContact CA-O 3.43Å | ||
| 172 | P | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -57.8 | 140.2 | 168.1 | -24.8 | 36 | 0 | 0 | 0 | 112 | W47 L52 V53 S73 L207 V208 V209 | W47-P172 HydrophobicContact CB-CG 4.14Å; W47-P172 HydrophobicContact CG-CG 4.24Å; L52-P172 HydrophobicContact CB-CG 4.34Å; V53-P172 HydrophobicContact CG2-CG 4.2Å; S73-P172 PolarHBondContact OG-O 3.17Å; P172-L207 HydrophobicContact CB-CD1 3.89Å; P172-L207 HydrophobicContact CB-CD2 3.91Å; P172-L207 HydrophobicContact CB-CG 3.97Å; P172-V208 CarbonylContact C-O 3.56Å; P172-V208 VanDerWaalsContact CA-O 3.25Å; P172-V208 WeakPolarHBondContact CA-O 3.31Å; P172-V209 HydrophobicContact CB-CG1 4.29Å |
| 173 | I | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 131.5 | -175 | -58 | -60.1 | 0 | 0 | 0 | 109.8 | I155 L163 A166 V167 I170 V175 V208 A252 S253 F254 | I155-I173 HydrophobicContact CD1-CD1 4.36Å; I155-I173 HydrophobicContact CD1-CG1 4.34Å; I155-I173 HydrophobicContact CD1-CG2 3.56Å; L163-I173 HydrophobicContact CD1-CB 4.15Å; L163-I173 HydrophobicContact CD1-CG1 4.4Å; L163-I173 HydrophobicContact CD1-CG2 3.72Å; A166-I173 HydrophobicContact CB-CD1 4Å; A166-I173 HydrophobicContact CB-CG1 4.24Å; V167-I173 HydrophobicContact CB-CG1 4.48Å; V167-I173 HydrophobicContact CG2-CB 4.24Å; V167-I173 HydrophobicContact CG2-CG1 3.64Å; I170-I173 HydrophobicContact CB-CD1 4.34Å; I170-I173 HydrophobicContact CG2-CD1 4.36Å; I173-V175 HydrophobicContact CG2-CG1 4.2Å; I173-V208 PolarHBondContact N-O 3.11Å; I173-V208 PolarHBondContact O-N 3.48Å; I173-A252 HydrophobicContact CG2-CB 4.23Å; I173-S253 WeakPolarHBondContact CG2-O 3.4Å; I173-F254 HydrophobicContact CD1-CB 3.71Å; I173-F254 HydrophobicContact CD1-CD1 3.75Å; I173-F254 HydrophobicContact CD1-CG 3.94Å |
| 174 | S | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 132.2 | 172.1 | -62.5 | 0 | 0 | 0 | 0 | 109.6 | S69 S73 A252 S253 | S69-S174 PolarHBondContact O-OG 2.96Å; S69-S174 WeakPolarHBondContact OG-CA 3.39Å; S69-S174 VanDerWaalsContact OG-CB 3.23Å; S69-S174 WeakPolarHBondContact OG-CB 3.29Å; S69-S174 PolarHBondContact OG-OG 2.7Å; S73-S174 WeakPolarHBondContact CB-OG 3.31Å; S174-A252 CarbonylContact O-C 3.34Å; S174-A252 VanDerWaalsContact O-CA 3.26Å; S174-A252 WeakPolarHBondContact O-CA 3.48Å; S174-S253 WeakPolarHBondContact CB-O 3.42Å; S174-S253 PolarHBondContact N-O 2.51Å; S174-S253 PolarHBondContact O-N 3.16Å |
| 175 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 157.2 | 175.3 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | L163 I173 I177 V206 V208 I248 A251 A252 | L163-V175 HydrophobicContact CD1-CG1 4.17Å; L163-V175 HydrophobicContact CD2-CG1 4.37Å; I173-V175 HydrophobicContact CG2-CG1 4.2Å; V175-I177 HydrophobicContact CG2-CG2 4.38Å; V175-V206 HydrophobicContact CG2-CG2 3.47Å; V175-V206 VanDerWaalsContact CG2-CG2 3.47Å; V175-V206 PolarHBondContact N-O 3.45Å; V175-V206 PolarHBondContact O-N 3.21Å; V175-V206 VanDerWaalsContact O-O 3.1Å; V175-V208 HydrophobicContact CB-CG2 4.33Å; V175-V208 HydrophobicContact CG1-CB 4.45Å; V175-V208 HydrophobicContact CG1-CG2 3.61Å; V175-V208 HydrophobicContact CG2-CG2 3.7Å; V175-I248 WeakPolarHBondContact CB-O 3.37Å; V175-I248 WeakPolarHBondContact CG1-O 3.5Å; V175-I248 HydrophobicContact CG2-CG1 4.04Å; V175-A251 CarbonylContact C-O 3.56Å; V175-A251 WeakPolarHBondContact CA-O 3.34Å; V175-A252 HydrophobicContact CG1-CB 3.75Å |
| 176 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 144.9 | 165 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y19 M110 L202 H204 A251 | Y19-A176 HydrophobicContact CD1-CB 3.86Å; Y19-A176 HydrophobicContact CD2-CB 3.44Å; Y19-A176 VanDerWaalsContact CD2-CB 3.44Å; Y19-A176 HydrophobicContact CE1-CB 3.81Å; Y19-A176 HydrophobicContact CE2-CB 3.34Å; Y19-A176 HydrophobicContact CG-CB 3.68Å; M110-A176 HydrophobicContact CE-CB 4.39Å; A176-L202 HydrophobicContact CB-CB 3.95Å; A176-L202 HydrophobicContact CB-CD1 3.79Å; A176-L202 HydrophobicContact CB-CG 4.49Å; A176-H204 CarbonylContact C-O 3.36Å; A176-H204 VanDerWaalsContact CA-O 3.26Å; A176-H204 WeakPolarHBondContact CA-O 3.32Å; A176-A251 HydrophobicContact CB-CB 4.1Å; A176-A251 PolarHBondContact N-O 2.88Å |
| 177 | I | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 162.9 | 178.3 | 61.7 | 171.7 | 0 | 0 | 0 | 111 | V175 A179 F184 N203 H204 V206 M238 C246 I248 | V175-I177 HydrophobicContact CG2-CG2 4.38Å; I177-A179 HydrophobicContact CD1-CB 4.48Å; I177-A179 HydrophobicContact CG1-CB 4.5Å; I177-F184 HydrophobicContact CD1-CE1 4.24Å; I177-F184 HydrophobicContact CD1-CE2 3.8Å; I177-F184 HydrophobicContact CD1-CZ 3.5Å; I177-F184 VanDerWaalsContact CD1-CZ 3.5Å; I177-N203 PolarHBondContact O-N 2.87Å; I177-N203 PolarHBondContact O-OD1 3.25Å; I177-H204 HydrophobicContact CG1-CB 4.09Å; I177-H204 PolarHBondContact N-O 2.82Å; I177-H204 PolarHBondContact O-N 2.84Å; I177-V206 HydrophobicContact CD1-CG1 4.16Å; I177-V206 HydrophobicContact CD1-CG2 4.02Å; I177-V206 HydrophobicContact CG1-CG1 4.48Å; I177-V206 HydrophobicContact CG1-CG2 4.1Å; I177-V206 HydrophobicContact CG2-CG2 4.07Å; I177-M238 HydrophobicContact CB-CE 4.29Å; I177-M238 HydrophobicContact CD1-CE 3.96Å; I177-M238 HydrophobicContact CD1-SD 3.82Å; I177-M238 HydrophobicContact CG2-CE 3.98Å; I177-M238 HydrophobicContact CG2-SD 4.1Å; I177-C246 CarbonylContact C-O 3.59Å; I177-C246 VanDerWaalsContact CA-O 3.24Å; I177-C246 WeakPolarHBondContact CA-O 3.48Å; I177-C246 HydrophobicContact CB-CB 4.47Å; I177-I248 HydrophobicContact CG2-CB 4.08Å; I177-I248 HydrophobicContact CG2-CD1 4.42Å; I177-I248 HydrophobicContact CG2-CG1 4.03Å |
| 178 | D | 97.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | trans | -80.4 | 107.4 | 158.3 | 177.9 | 15.5 | 0 | 0 | 0 | 109.9 | S180 C197 N198 C246 | D178-S180 WeakPolarHBondContact OD1-CA 3.43Å; D178-S180 WeakPolarHBondContact OD1-CB 3.5Å; D178-S180 PolarHBondContact OD1-N 2.98Å; D178-S180 PolarHBondContact OD1-OG 3.44Å; D178-C197 WeakPolarHBondContact OD2-CA 3.23Å; D178-N198 VanDerWaalsContact CB-O 3.3Å; D178-N198 WeakPolarHBondContact CB-O 3.26Å; D178-N198 PolarHBondContact OD2-N 3.47Å; D178-C246 HydrophobicContact CB-CB 4.29Å; D178-C246 PolarHBondContact N-O 2.86Å | ||
| 179 | A | 97.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -101.8 | 19.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I13 I177 Q181 F184 N203 H204 W226 | I13-A179 WeakPolarHBondContact CD1-O 3.41Å; I177-A179 HydrophobicContact CD1-CB 4.48Å; I177-A179 HydrophobicContact CG1-CB 4.5Å; A179-Q181 PolarHBondContact O-N 3.4Å; A179-Q181 VanDerWaalsContact O-N 3.13Å; A179-F184 HydrophobicContact CB-CD1 3.66Å; A179-F184 HydrophobicContact CB-CE1 3.74Å; A179-F184 HydrophobicContact CB-CG 4.39Å; A179-N203 PolarHBondContact N-OD1 3.05Å; A179-H204 HydrophobicContact CB-CB 3.51Å; A179-W226 HydrophobicContact CB-CH2 4.27Å | ||
| 180 | S | 94.9 | Very high | 96.9 | Very high | 21 Ų | 21 | 32.4 Ų | 32.4 | 15% | 0.147 | 16% | 0.164 | C | C | . | . | trans | -78.4 | 15 | -173 | -41.9 | 0 | 0 | 0 | 0 | 114.7 | Y9 D178 N203 | Y9-S180 WeakPolarHBondContact CE2-O 3.26Å; Y9-S180 PolarHBondContact OH-O 3.48Å; D178-S180 WeakPolarHBondContact OD1-CA 3.43Å; D178-S180 WeakPolarHBondContact OD1-CB 3.5Å; D178-S180 PolarHBondContact OD1-N 2.98Å; D178-S180 PolarHBondContact OD1-OG 3.44Å; S180-N203 PolarHBondContact OG-ND2 3.29Å | ||
| 181 | Q | 95 | Very high | 97 | Very high | 36 Ų | 36 | 32 Ų | 32 | 17% | 0.168 | 16% | 0.163 | C | C | . | . | trans | -115.2 | 135 | -171.5 | -54.4 | -66 | -35.9 | 0 | 0 | 108.8 | A179 S183 F184 Q185 E194 K196 | A179-Q181 PolarHBondContact O-N 3.4Å; A179-Q181 VanDerWaalsContact O-N 3.13Å; Q181-S183 PolarHBondContact O-N 3.28Å; Q181-S183 VanDerWaalsContact O-N 3.16Å; Q181-F184 WeakPolarHBondContact O-CA 3.46Å; Q181-F184 VanDerWaalsContact O-CB 3.27Å; Q181-F184 WeakPolarHBondContact O-CB 3.43Å; Q181-F184 PolarHBondContact O-N 3.12Å; Q181-Q185 PolarHBondContact O-N 3.42Å; Q181-Q185 VanDerWaalsContact O-N 3.08Å; Q181-E194 HydrophobicContact CB-CG 3.92Å; Q181-E194 HydrophobicContact CG-CG 3.65Å; Q181-K196 PolarHBondContact NE2-O 3.03Å | ||
| 182 | E | 93.7 | Very high | 97.1 | Very high | 120 Ų | 120 | 32.7 Ų | 32.7 | 56% | 0.561 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -56.3 | -31.9 | 175.1 | -69.7 | -177.8 | 166.1 | 0 | 0 | 111.5 | Y9 F184 Q185 F186 | Y9-E182 HydrophobicContact CD2-CG 3.77Å; Y9-E182 HydrophobicContact CE2-CG 4.45Å; Y9-E182 HydrophobicContact CG-CG 4.26Å; E182-F184 PolarHBondContact O-N 2.84Å; E182-Q185 PolarHBondContact O-N 2.75Å; E182-F186 WeakPolarHBondContact O-CD2 3.34Å; E182-F186 PolarHBondContact O-N 3.46Å |
| 183 | S | 96.3 | Very high | 97 | Very high | 47 Ų | 47 | 36.2 Ų | 36.2 | 33% | 0.329 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.9 | -29.7 | 173.3 | 61.8 | 0 | 0 | 0 | 0 | 112.8 | Q181 Y187 Y192 E194 | Q181-S183 PolarHBondContact O-N 3.28Å; Q181-S183 VanDerWaalsContact O-N 3.16Å; S183-Y187 PolarHBondContact O-N 3.38Å; S183-Y192 PolarHBondContact OG-OH 2.91Å; S183-E194 WeakPolarHBondContact CB-OE2 3.43Å; S183-E194 PolarHBondContact OG-OE2 3.07Å |
| 184 | F | 96.9 | Very high | 97 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -79.6 | -46.3 | 172.4 | -165.4 | -97.2 | 0 | 0 | 0 | 111.3 | I177 A179 Q181 E182 F186 Y187 Y192 W226 W230 V236 M238 | I177-F184 HydrophobicContact CD1-CE1 4.24Å; I177-F184 HydrophobicContact CD1-CE2 3.8Å; I177-F184 HydrophobicContact CD1-CZ 3.5Å; I177-F184 VanDerWaalsContact CD1-CZ 3.5Å; A179-F184 HydrophobicContact CB-CD1 3.66Å; A179-F184 HydrophobicContact CB-CE1 3.74Å; A179-F184 HydrophobicContact CB-CG 4.39Å; Q181-F184 WeakPolarHBondContact O-CA 3.46Å; Q181-F184 VanDerWaalsContact O-CB 3.27Å; Q181-F184 WeakPolarHBondContact O-CB 3.43Å; Q181-F184 PolarHBondContact O-N 3.12Å; E182-F184 PolarHBondContact O-N 2.84Å; F184-F186 PolarHBondContact O-N 2.98Å; F184-F186 VanDerWaalsContact O-N 3.16Å; F184-Y187 WeakPolarHBondContact O-CB 3.44Å; F184-Y187 PolarHBondContact O-N 2.78Å; F184-Y192 HydrophobicContact CB-CE1 4.47Å; F184-Y192 HydrophobicContact CB-CE2 4.17Å; F184-Y192 WeakPolarHBondContact CB-OH 3.14Å; F184-Y192 AromaticContact CD2-CD1 3.99Å; F184-Y192 HydrophobicContact CD2-CD1 3.99Å; F184-Y192 AromaticContact CD2-CE1 3.63Å; F184-Y192 HydrophobicContact CD2-CE1 3.63Å; F184-Y192 HydrophobicContact CD2-CE2 4.24Å; F184-Y192 HydrophobicContact CD2-CG 4.42Å; F184-Y192 AromaticContact CD2-CZ 3.78Å; F184-Y192 HydrophobicContact CE2-CD1 4.47Å; F184-Y192 HydrophobicContact CE2-CE1 4.43Å; F184-W226 AromaticContact CD1-CH2 3.73Å; F184-W226 HydrophobicContact CD1-CH2 3.73Å; F184-W226 AromaticContact CD1-CZ3 3.7Å; F184-W226 HydrophobicContact CD1-CZ3 3.7Å; F184-W226 AromaticContact CE1-CH2 3.5Å; F184-W226 HydrophobicContact CE1-CH2 3.5Å; F184-W226 AromaticContact CE1-CZ3 3.48Å; F184-W226 HydrophobicContact CE1-CZ3 3.48Å; F184-W226 VanDerWaalsContact CE1-CZ3 3.48Å; F184-W230 AromaticContact CD1-CZ2 3.99Å; F184-W230 HydrophobicContact CD1-CZ2 3.99Å; F184-W230 AromaticContact CE1-CH2 3.97Å; F184-W230 HydrophobicContact CE1-CH2 3.97Å; F184-W230 AromaticContact CE1-CZ2 3.67Å; F184-W230 HydrophobicContact CE1-CZ2 3.67Å; F184-W230 HydrophobicContact CE2-CH2 4.22Å; F184-W230 HydrophobicContact CE2-CZ2 4.35Å; F184-W230 HydrophobicContact CG-CZ2 4.47Å; F184-W230 AromaticContact CZ-CH2 3.72Å; F184-W230 HydrophobicContact CZ-CH2 3.72Å; F184-W230 AromaticContact CZ-CZ2 3.86Å; F184-W230 HydrophobicContact CZ-CZ2 3.86Å; F184-W230 WeakPolarHBondContact O-CZ2 3.41Å; F184-W230 PolarHBondContact O-NE1 3.26Å; F184-V236 HydrophobicContact CE2-CG1 4.14Å; F184-V236 HydrophobicContact CE2-CG2 4.45Å; F184-V236 HydrophobicContact CZ-CG1 4.29Å; F184-M238 HydrophobicContact CE2-CE 4.43Å; F184-M238 HydrophobicContact CE2-SD 4.32Å |
| 185 | Q | 95 | Very high | 96.9 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -50.3 | -42.7 | 177.3 | 178.9 | 177.8 | -3.6 | 0 | 0 | 111.4 | N2 F4 F12 Q181 E182 W230 | N2-Q185 PolarHBondContact ND2-O 2.9Å; F4-Q185 HydrophobicContact CB-CG 4.2Å; F4-Q185 PolarHBondContact O-NE2 3.35Å; F4-Q185 VanDerWaalsContact O-NE2 3.12Å; F12-Q185 HydrophobicContact CD1-CB 4.11Å; F12-Q185 HydrophobicContact CD1-CG 3.95Å; F12-Q185 HydrophobicContact CD2-CG 3.98Å; F12-Q185 HydrophobicContact CE1-CB 3.73Å; F12-Q185 HydrophobicContact CE1-CG 3.86Å; F12-Q185 HydrophobicContact CE2-CG 3.88Å; F12-Q185 HydrophobicContact CG-CG 3.99Å; F12-Q185 HydrophobicContact CZ-CB 3.94Å; F12-Q185 HydrophobicContact CZ-CG 3.78Å; Q181-Q185 PolarHBondContact O-N 3.42Å; Q181-Q185 VanDerWaalsContact O-N 3.08Å; E182-Q185 PolarHBondContact O-N 2.75Å; Q185-W230 PolarHBondContact O-NE1 2.82Å |
| 186 | F | 95.8 | Very high | 96.8 | Very high | 79 Ų | 79 | 55.1 Ų | 55.1 | 35% | 0.346 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 16.9 | -178.6 | -57.8 | -62.1 | 0 | 0 | 0 | 114.7 | M1 E182 F184 H188 | M1-F186 HydrophobicContact SD-CD1 4.36Å; M1-F186 HydrophobicContact SD-CE1 4.11Å; E182-F186 WeakPolarHBondContact O-CD2 3.34Å; E182-F186 PolarHBondContact O-N 3.46Å; F184-F186 PolarHBondContact O-N 2.98Å; F184-F186 VanDerWaalsContact O-N 3.16Å; F186-H188 PolarHBondContact O-N 3.33Å |
| 187 | Y | 97.6 | Very high | 96.7 | Very high | 14 Ų | 14 | 55.9 Ų | 55.9 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | trans | -53.9 | 141.2 | 172.5 | 169.8 | -90.5 | 0 | 0 | 0 | 110.5 | S183 F184 K189 G190 Y192 W230 G231 Y235 V236 L237 | S183-Y187 PolarHBondContact O-N 3.38Å; F184-Y187 WeakPolarHBondContact O-CB 3.44Å; F184-Y187 PolarHBondContact O-N 2.78Å; Y187-K189 WeakPolarHBondContact OH-CA 3.46Å; Y187-G190 WeakPolarHBondContact CE2-O 3.43Å; Y187-G190 PolarHBondContact OH-N 2.78Å; Y187-G190 PolarHBondContact OH-O 2.88Å; Y187-Y192 HydrophobicContact CD2-CD2 4.11Å; Y187-Y192 HydrophobicContact CD2-CG 4.44Å; Y187-W230 HydrophobicContact CD1-CH2 4.07Å; Y187-W230 HydrophobicContact CD1-CZ2 4.27Å; Y187-W230 HydrophobicContact CD1-CZ3 4.43Å; Y187-G231 WeakPolarHBondContact O-CA 3.43Å; Y187-G231 PolarHBondContact O-N 3.03Å; Y187-Y235 VanDerWaalsContact CE1-O 3.3Å; Y187-Y235 WeakPolarHBondContact CE1-O 3.09Å; Y187-V236 HydrophobicContact CD1-CB 3.77Å; Y187-V236 HydrophobicContact CD1-CG2 3.74Å; Y187-V236 HydrophobicContact CD2-CG2 3.88Å; Y187-V236 HydrophobicContact CE1-CB 3.62Å; Y187-V236 HydrophobicContact CE1-CG2 3.68Å; Y187-V236 HydrophobicContact CE2-CG2 3.76Å; Y187-V236 HydrophobicContact CG-CB 4.38Å; Y187-V236 HydrophobicContact CG-CG2 3.86Å; Y187-L237 PolarHBondContact OH-N 3.05Å | ||
| 188 | H | 96.3 | Very high | 96.6 | Very high | 123 Ų | 123 | 59.1 Ų | 59.1 | 57% | 0.569 | 28% | 0.28 | S | S | * | . | trans | -134.7 | -47.2 | -179.7 | -178.2 | -77.9 | 0 | 0 | 0 | 112.8 | F186 G231 D232 | F186-H188 PolarHBondContact O-N 3.33Å; H188-G231 CarbonylContact O-C 3.5Å; H188-G231 VanDerWaalsContact O-C 3.24Å; H188-D232 PolarHBondContact O-N 3.46Å | ||
| 189 | K | 96.1 | Very high | 96.5 | Very high | 165 Ų | 165 | 61.4 Ų | 61.4 | 72% | 0.717 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -158 | 163.9 | 179.3 | 67 | -179.7 | -177 | -179 | 0 | 112.6 | Y187 | Y187-K189 WeakPolarHBondContact OH-CA 3.46Š|
| 190 | G | 96.7 | Very high | 96.3 | Very high | 33 Ų | 33 | 65.1 Ų | 65.1 | 34% | 0.34 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 92.2 | -178 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y187 Y192 | Y187-G190 WeakPolarHBondContact CE2-O 3.43Å; Y187-G190 PolarHBondContact OH-N 2.78Å; Y187-G190 PolarHBondContact OH-O 2.88Å; G190-Y192 PolarHBondContact O-N 2.92Å |
| 191 | V | 98.2 | Very high | 96.3 | Very high | 27 Ų | 27 | 68.2 Ų | 68.2 | 16% | 0.164 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 109.2 | 175.6 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | Y193 M217 Y219 L237 A239 | V191-Y193 PolarHBondContact O-N 3.46Å; V191-M217 HydrophobicContact CB-CE 4.1Å; V191-M217 HydrophobicContact CG2-CB 4.42Å; V191-M217 HydrophobicContact CG2-CE 4.3Å; V191-Y219 HydrophobicContact CG2-CD1 4.08Å; V191-Y219 HydrophobicContact CG2-CG 4.37Å; V191-L237 CarbonylContact C-O 3.57Å; V191-L237 WeakPolarHBondContact CA-O 3.37Å; V191-L237 HydrophobicContact CG2-CB 4.43Å; V191-A239 HydrophobicContact CG1-CB 4.07Å |
| 192 | Y | 98.3 | Very high | 96.4 | Very high | 14 Ų | 14 | 67.5 Ų | 67.5 | 6% | 0.055 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 123.9 | 172.8 | -177.5 | -102.4 | 0 | 0 | 0 | 110.5 | S183 F184 Y187 G190 E194 V236 L237 M238 A239 | S183-Y192 PolarHBondContact OG-OH 2.91Å; F184-Y192 HydrophobicContact CB-CE1 4.47Å; F184-Y192 HydrophobicContact CB-CE2 4.17Å; F184-Y192 WeakPolarHBondContact CB-OH 3.14Å; F184-Y192 AromaticContact CD2-CD1 3.99Å; F184-Y192 HydrophobicContact CD2-CD1 3.99Å; F184-Y192 AromaticContact CD2-CE1 3.63Å; F184-Y192 HydrophobicContact CD2-CE1 3.63Å; F184-Y192 HydrophobicContact CD2-CE2 4.24Å; F184-Y192 HydrophobicContact CD2-CG 4.42Å; F184-Y192 AromaticContact CD2-CZ 3.78Å; F184-Y192 HydrophobicContact CE2-CD1 4.47Å; F184-Y192 HydrophobicContact CE2-CE1 4.43Å; Y187-Y192 HydrophobicContact CD2-CD2 4.11Å; Y187-Y192 HydrophobicContact CD2-CG 4.44Å; G190-Y192 PolarHBondContact O-N 2.92Å; Y192-E194 HydrophobicContact CE1-CB 3.93Å; Y192-E194 HydrophobicContact CE2-CB 4.26Å; Y192-E194 WeakPolarHBondContact OH-CB 3.21Å; Y192-V236 HydrophobicContact CG-CG2 4.32Å; Y192-L237 WeakPolarHBondContact CB-O 3.5Å; Y192-L237 PolarHBondContact N-O 3.17Å; Y192-M238 HydrophobicContact CD1-CE 4.26Å; Y192-A239 WeakPolarHBondContact O-CB 3.27Å; Y192-A239 PolarHBondContact O-N 3.37Å |
| 193 | Y | 97.8 | Very high | 96.5 | Very high | 74 Ų | 74 | 63 Ų | 63 | 29% | 0.29 | 31% | 0.306 | S | S | . | . | trans | -142 | 127.6 | 169.9 | 171.2 | -98.6 | 0 | 0 | 0 | 107.6 | V191 R195 A239 K242 R243 N245 | V191-Y193 PolarHBondContact O-N 3.46Å; Y193-R195 HydrophobicContact CE1-CB 4.46Å; Y193-A239 HydrophobicContact CD2-CB 4.03Å; Y193-K242 HydrophobicContact CD2-CD 3.47Å; Y193-K242 VanDerWaalsContact CD2-CD 3.47Å; Y193-K242 HydrophobicContact CD2-CG 3.94Å; Y193-K242 HydrophobicContact CE2-CD 3.59Å; Y193-K242 VanDerWaalsContact CE2-CE 3.46Å; Y193-K242 HydrophobicContact CE2-CG 3.65Å; Y193-K242 HydrophobicContact CG-CD 4.17Å; Y193-R243 PolarHBondContact OH-NH2 3.28Å; Y193-N245 HydrophobicContact CD2-CB 4.26Å; Y193-N245 HydrophobicContact CE2-CB 4.47Å | ||
| 194 | E | 97.7 | Very high | 96.6 | Very high | 39 Ų | 39 | 60.7 Ų | 60.7 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | trans | -128.5 | 126.3 | 178 | 178.4 | 50.6 | -99.8 | 0 | 0 | 109.8 | Q181 S183 Y192 K196 C197 N245 | Q181-E194 HydrophobicContact CB-CG 3.92Å; Q181-E194 HydrophobicContact CG-CG 3.65Å; S183-E194 WeakPolarHBondContact CB-OE2 3.43Å; S183-E194 PolarHBondContact OG-OE2 3.07Å; Y192-E194 HydrophobicContact CE1-CB 3.93Å; Y192-E194 HydrophobicContact CE2-CB 4.26Å; Y192-E194 WeakPolarHBondContact OH-CB 3.21Å; E194-K196 VanDerWaalsContact C-N 3.31Å; E194-K196 HydrophobicContact CG-CB 4.3Å; E194-K196 PolarHBondContact OE1-N 3.25Å; E194-C197 HydrophobicContact CB-CB 4.41Å; E194-C197 WeakPolarHBondContact O-CB 3.41Å; E194-N245 PolarHBondContact N-OD1 3.29Å; E194-N245 PolarHBondContact O-ND2 3.31Å | ||
| 195 | R | 97.4 | Very high | 96.7 | Very high | 205 Ų | 205 | 60.7 Ų | 60.7 | 77% | 0.774 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -28.8 | -177.4 | -173.1 | 177.2 | 69.7 | 169.8 | 1.4 | 111.3 | Y193 C197 | Y193-R195 HydrophobicContact CE1-CB 4.46Å; R195-C197 VanDerWaalsContact C-N 3.32Å |
| 196 | K | 97 | Very high | 96.9 | Very high | 153 Ų | 153 | 60.8 Ų | 60.8 | 67% | 0.665 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -9.4 | -179.5 | -65.3 | -179.1 | -177.7 | 177.1 | 0 | 113.9 | Q181 E194 N198 | Q181-K196 PolarHBondContact NE2-O 3.03Å; E194-K196 VanDerWaalsContact C-N 3.31Å; E194-K196 HydrophobicContact CG-CB 4.3Å; E194-K196 PolarHBondContact OE1-N 3.25Å; K196-N198 PolarHBondContact O-N 3.14Å |
| 197 | C | 96.4 | Very high | 97 | Very high | 17 Ų | 17 | 57.2 Ų | 57.2 | 12% | 0.115 | 28% | 0.276 | C | S | . | . | trans | -56.2 | 135.2 | 175.6 | -97.2 | 0 | 0 | 0 | 0 | 111.7 | D178 E194 R195 C246 | D178-C197 WeakPolarHBondContact OD2-CA 3.23Å; E194-C197 HydrophobicContact CB-CB 4.41Å; E194-C197 WeakPolarHBondContact O-CB 3.41Å; R195-C197 VanDerWaalsContact C-N 3.32Å; C197-C246 HydrophobicContact CB-CB 3.73Å; C197-C246 WeakPolarHBondContact CB-SG 3.39Å; C197-C246 WeakPolarHBondContact SG-CB 3.02Å; C197-C246 CovalentContact SG-SG 2.04Å; C197-C246 PolarHBondContact SG-SG 2.04Å | ||
| 198 | N | 95.7 | Very high | 97.1 | Very high | 68 Ų | 68 | 56.6 Ų | 56.6 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | trans | -94.7 | 133.9 | 175.9 | -166.7 | -50.2 | 0 | 0 | 0 | 110.2 | D178 K196 E200 T201 | D178-N198 VanDerWaalsContact CB-O 3.3Å; D178-N198 WeakPolarHBondContact CB-O 3.26Å; D178-N198 PolarHBondContact OD2-N 3.47Å; K196-N198 PolarHBondContact O-N 3.14Å; N198-E200 WeakPolarHBondContact OD1-CA 3.46Å; N198-E200 PolarHBondContact OD1-N 3.5Å; N198-T201 PolarHBondContact ND2-OG1 3.3Å; N198-T201 PolarHBondContact OD1-N 2.82Å | ||
| 199 | T | 96.3 | Very high | 97.2 | Very high | 52 Ų | 52 | 50.7 Ų | 50.7 | 32% | 0.319 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -85.5 | -8.2 | 179.4 | 59.4 | 0 | 0 | 0 | 0 | 113.5 | N244 S250 | T199-N244 VanDerWaalsContact CG2-O 3.32Å; T199-N244 WeakPolarHBondContact CG2-O 3.34Å; T199-S250 PolarHBondContact O-OG 3.33Å |
| 200 | E | 94 | Very high | 97.3 | Very high | 77 Ų | 77 | 42.9 Ų | 42.9 | 36% | 0.36 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -116.5 | -30.2 | -175 | -66.5 | -64.8 | 153.3 | 0 | 0 | 113.3 | R21 K157 N198 L202 | R21-E200 PolarHBondContact NH1-O 3.29Å; R21-E200 IonicContact NH1-OE2 3.67Å; K157-E200 IonicContact NZ-OE1 3.13Å; K157-E200 PolarHBondContact NZ-OE1 3.21Å; K157-E200 IonicContact NZ-OE2 3.74Å; K157-E200 PolarHBondContact NZ-OE2 3.37Å; K157-E200 VanDerWaalsContact NZ-OE2 3.13Å; N198-E200 WeakPolarHBondContact OD1-CA 3.46Å; N198-E200 PolarHBondContact OD1-N 3.5Å; E200-L202 PolarHBondContact O-N 3.27Å |
| 201 | T | 93.7 | Very high | 97.4 | Very high | 87 Ų | 87 | 41.4 Ų | 41.4 | 53% | 0.534 | 20% | 0.196 | S | C | . | . | trans | -93.6 | 73.5 | 178.3 | -49.6 | 0 | 0 | 0 | 0 | 110.2 | N198 | N198-T201 PolarHBondContact ND2-OG1 3.3Å; N198-T201 PolarHBondContact OD1-N 2.82Å | ||
| 202 | L | 96.8 | Very high | 97.4 | Very high | 20 Ų | 20 | 40.1 Ų | 40.1 | 11% | 0.105 | 19% | 0.188 | C | C | . | . | trans | -84.1 | 143.9 | 178.2 | -40.5 | 175.8 | 0 | 0 | 0 | 110 | Y19 A176 E200 A251 | Y19-L202 HydrophobicContact CD1-CB 3.96Å; Y19-L202 WeakPolarHBondContact CD1-O 3.41Å; Y19-L202 HydrophobicContact CE1-CB 3.73Å; Y19-L202 HydrophobicContact CE1-CD1 4.44Å; A176-L202 HydrophobicContact CB-CB 3.95Å; A176-L202 HydrophobicContact CB-CD1 3.79Å; A176-L202 HydrophobicContact CB-CG 4.49Å; E200-L202 PolarHBondContact O-N 3.27Å; L202-A251 HydrophobicContact CD1-CB 3.8Å | ||
| 203 | N | 96.6 | Very high | 97.4 | Very high | 25 Ų | 25 | 42.3 Ų | 42.3 | 13% | 0.134 | 21% | 0.206 | C | C | . | . | trans | -144.1 | -7.7 | -177 | 59.8 | 8.1 | 0 | 0 | 0 | 114.8 | N17 G18 Y19 I177 A179 S180 | N17-N203 HydrophobicContact CB-CB 4.28Å; N17-N203 WeakPolarHBondContact CB-O 3.46Å; N17-N203 PolarHBondContact ND2-ND2 2.98Å; G18-N203 PolarHBondContact N-O 2.97Å; G18-N203 VanDerWaalsContact N-O 3.12Å; Y19-N203 WeakPolarHBondContact CB-O 3.44Å; Y19-N203 PolarHBondContact N-O 3.01Å; I177-N203 PolarHBondContact O-N 2.87Å; I177-N203 PolarHBondContact O-OD1 3.25Å; A179-N203 PolarHBondContact N-OD1 3.05Å; S180-N203 PolarHBondContact OG-ND2 3.29Å | ||
| 204 | H | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 129.8 | 180 | -167.1 | 40.8 | 0 | 0 | 0 | 112.4 | C65 A176 I177 A179 V206 N224 W226 | C65-H204 WeakPolarHBondContact CB-CE1 3.11Å; C65-H204 VanDerWaalsContact CB-ND1 3.27Å; C65-H204 WeakPolarHBondContact CB-ND1 3.43Å; A176-H204 CarbonylContact C-O 3.36Å; A176-H204 VanDerWaalsContact CA-O 3.26Å; A176-H204 WeakPolarHBondContact CA-O 3.32Å; I177-H204 HydrophobicContact CG1-CB 4.09Å; I177-H204 PolarHBondContact N-O 2.82Å; I177-H204 PolarHBondContact O-N 2.84Å; A179-H204 HydrophobicContact CB-CB 3.51Å; H204-V206 WeakPolarHBondContact CD2-CG1 3.49Å; H204-V206 WeakPolarHBondContact NE2-CG1 3.32Å; H204-N224 PolarHBondContact NE2-OD1 3.27Å; H204-W226 AromaticContact CD2-CZ2 3.69Å; H204-W226 AromaticContact CE1-CE2 3.63Å; H204-W226 AromaticContact CE1-CZ2 3.57Å; H204-W226 AromaticContact CE1-NE1 3.44Å; H204-W226 PolarHBondContact CE1-NE1 2.87Å; H204-W226 AromaticContact NE2-CE2 3.5Å; H204-W226 AromaticContact NE2-CZ2 3.34Å; H204-W226 VanDerWaalsContact NE2-CZ2 3.34Å; H204-W226 WeakPolarHBondContact NE2-CZ2 3.22Å; H204-W226 AromaticContact NE2-NE1 3.72Å |
| 205 | G | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 124.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | C65 | C65-G205 WeakPolarHBondContact CB-O 3.38Å; C65-G205 PolarHBondContact SG-N 3.25Å |
| 206 | V | 98.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.024 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 177.1 | -178.3 | -64.1 | 0 | 0 | 0 | 0 | 110.4 | S69 V175 I177 H204 V222 | S69-V206 PolarHBondContact OG-O 2.88Å; V175-V206 HydrophobicContact CG2-CG2 3.47Å; V175-V206 VanDerWaalsContact CG2-CG2 3.47Å; V175-V206 PolarHBondContact N-O 3.45Å; V175-V206 PolarHBondContact O-N 3.21Å; V175-V206 VanDerWaalsContact O-O 3.1Å; I177-V206 HydrophobicContact CD1-CG1 4.16Å; I177-V206 HydrophobicContact CD1-CG2 4.02Å; I177-V206 HydrophobicContact CG1-CG1 4.48Å; I177-V206 HydrophobicContact CG1-CG2 4.1Å; I177-V206 HydrophobicContact CG2-CG2 4.07Å; H204-V206 WeakPolarHBondContact CD2-CG1 3.49Å; H204-V206 WeakPolarHBondContact NE2-CG1 3.32Å; V206-V222 HydrophobicContact CB-CG1 3.61Å; V206-V222 HydrophobicContact CG1-CG1 4.37Å; V206-V222 HydrophobicContact CG2-CG1 3.42Å; V206-V222 VanDerWaalsContact CG2-CG1 3.42Å |
| 207 | L | 98.9 | Very high | 96.3 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 118 | -176.8 | -176.1 | 78.5 | 0 | 0 | 0 | 111 | P172 V209 V222 K223 | P172-L207 HydrophobicContact CB-CD1 3.89Å; P172-L207 HydrophobicContact CB-CD2 3.91Å; P172-L207 HydrophobicContact CB-CG 3.97Å; L207-V209 HydrophobicContact CD2-CG1 3.58Å; L207-V209 HydrophobicContact CG-CG1 3.84Å; L207-V209 PolarHBondContact O-N 3.42Å; L207-V222 CarbonylContact O-C 3.49Å; L207-V222 WeakPolarHBondContact O-CA 3.35Å; L207-K223 HydrophobicContact CB-CB 4.21Å; L207-K223 HydrophobicContact CD2-CD 4.18Å; L207-K223 PolarHBondContact N-O 2.72Å; L207-K223 PolarHBondContact O-N 3.13Å |
| 208 | V | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 117.2 | 170.2 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | V167 P172 I173 V175 W220 V222 I248 | V167-V208 HydrophobicContact CG1-CG1 4.42Å; V167-V208 HydrophobicContact CG2-CB 4.26Å; V167-V208 HydrophobicContact CG2-CG1 3.59Å; P172-V208 CarbonylContact C-O 3.56Å; P172-V208 VanDerWaalsContact CA-O 3.25Å; P172-V208 WeakPolarHBondContact CA-O 3.31Å; I173-V208 PolarHBondContact N-O 3.11Å; I173-V208 PolarHBondContact O-N 3.48Å; V175-V208 HydrophobicContact CB-CG2 4.33Å; V175-V208 HydrophobicContact CG1-CB 4.45Å; V175-V208 HydrophobicContact CG1-CG2 3.61Å; V175-V208 HydrophobicContact CG2-CG2 3.7Å; V208-W220 HydrophobicContact CG1-CB 4.47Å; V208-W220 HydrophobicContact CG1-CD2 4.35Å; V208-W220 HydrophobicContact CG1-CE3 3.65Å; V208-W220 HydrophobicContact CG1-CZ3 4.31Å; V208-V222 HydrophobicContact CG2-CG2 4.28Å; V208-I248 HydrophobicContact CG2-CD1 4.17Å; V208-I248 HydrophobicContact CG2-CG1 4.28Å |
| 209 | V | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 6.9 | -177.3 | -61.4 | 0 | 0 | 0 | 0 | 113 | W47 R48 V53 P172 L207 I221 K223 Y235 | W47-V209 VanDerWaalsContact CB-O 3.29Å; W47-V209 WeakPolarHBondContact CB-O 3.49Å; W47-V209 PolarHBondContact N-O 2.78Å; R48-V209 HydrophobicContact CG-CG2 4.07Å; V53-V209 HydrophobicContact CG1-CG1 4.01Å; V53-V209 HydrophobicContact CG2-CB 3.86Å; V53-V209 HydrophobicContact CG2-CG1 3.72Å; P172-V209 HydrophobicContact CB-CG1 4.29Å; L207-V209 HydrophobicContact CD2-CG1 3.58Å; L207-V209 HydrophobicContact CG-CG1 3.84Å; L207-V209 PolarHBondContact O-N 3.42Å; V209-I221 HydrophobicContact CG2-CB 4.01Å; V209-I221 HydrophobicContact CG2-CG2 3.58Å; V209-I221 WeakPolarHBondContact CG2-O 3.34Å; V209-I221 PolarHBondContact N-O 3.12Å; V209-K223 HydrophobicContact CG1-CB 4.05Å; V209-Y235 HydrophobicContact CG2-CD1 4.29Å; V209-Y235 HydrophobicContact CG2-CE1 4Å |
| 210 | G | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.2 | -176.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | V45 I221 | V45-G210 CarbonylContact O-C 3.36Å; V45-G210 WeakPolarHBondContact O-CA 3.24Å; G210-I221 PolarHBondContact O-N 2.95Å |
| 211 | Y | 98.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 163 | 176.7 | 57.5 | -97 | 0 | 0 | 0 | 110.6 | P42 N44 V45 M164 V167 A168 Y219 W220 | P42-Y211 VanDerWaalsContact O-CE2 3.31Å; P42-Y211 WeakPolarHBondContact O-CE2 3.22Å; P42-Y211 PolarHBondContact O-OH 3.19Å; N44-Y211 CarbonylContact C-O 3.24Å; N44-Y211 WeakPolarHBondContact CA-O 3.47Å; V45-Y211 HydrophobicContact CB-CD1 4.15Å; V45-Y211 HydrophobicContact CB-CE1 3.81Å; V45-Y211 HydrophobicContact CG2-CE1 3.71Å; V45-Y211 HydrophobicContact CG2-CE2 4.17Å; V45-Y211 WeakPolarHBondContact CG2-OH 3.32Å; V45-Y211 PolarHBondContact N-O 3Å; V45-Y211 PolarHBondContact O-N 3.44Å; V45-Y211 VanDerWaalsContact O-O 3.09Å; M164-Y211 HydrophobicContact CG-CD1 4.05Å; M164-Y211 HydrophobicContact CG-CD2 4.23Å; M164-Y211 HydrophobicContact CG-CE1 3.69Å; M164-Y211 HydrophobicContact CG-CE2 3.88Å; M164-Y211 HydrophobicContact CG-CG 4.31Å; M164-Y211 WeakPolarHBondContact O-CE1 3.3Å; M164-Y211 HydrophobicContact SD-CE2 4.22Å; V167-Y211 HydrophobicContact CB-CD1 4.08Å; V167-Y211 HydrophobicContact CB-CE1 4.08Å; V167-Y211 HydrophobicContact CG1-CD1 3.72Å; V167-Y211 HydrophobicContact CG1-CE1 3.92Å; A168-Y211 HydrophobicContact CB-CE1 4.27Å; A168-Y211 WeakPolarHBondContact CB-OH 3.41Å; Y211-Y219 CarbonylContact C-O 3.58Å; Y211-Y219 WeakPolarHBondContact CA-O 3.35Å; Y211-Y219 VanDerWaalsContact CB-O 3.28Å; Y211-Y219 WeakPolarHBondContact CB-O 3.27Å; Y211-W220 HydrophobicContact CD1-CE3 4.45Å; Y211-W220 AromaticContact CD1-CZ3 3.93Å; Y211-W220 HydrophobicContact CD1-CZ3 3.93Å; Y211-W220 HydrophobicContact CG-CZ3 4.21Å |
| 212 | G | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171 | -158.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | N44 D218 Y219 R240 | N44-G212 WeakPolarHBondContact OD1-CA 3.36Å; G212-D218 WeakPolarHBondContact O-CA 3.31Å; G212-Y219 PolarHBondContact N-O 3.03Å; G212-Y219 PolarHBondContact O-N 3.07Å; G212-R240 PolarHBondContact O-NH2 3.34Å |
| 213 | S | 96.9 | Very high | 97.3 | Very high | 59 Ų | 59 | 34.1 Ų | 34.1 | 41% | 0.413 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 132.5 | 174.5 | -49.4 | 0 | 0 | 0 | 0 | 110.4 | N44 M217 D218 Y219 | N44-S213 PolarHBondContact OD1-N 2.63Å; S213-M217 CarbonylContact C-O 3.45Å; S213-M217 WeakPolarHBondContact CA-O 3.33Å; S213-D218 WeakPolarHBondContact CB-OD1 2.88Å; S213-D218 PolarHBondContact OG-OD1 3.27Å; S213-Y219 VanDerWaalsContact C-CE1 3.48Å |
| 214 | L | 90.7 | Very high | 97.3 | Very high | 75 Ų | 75 | 33.2 Ų | 33.2 | 39% | 0.393 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 123.1 | 176.7 | 178.2 | 66.1 | 0 | 0 | 0 | 108.5 | K216 M217 Y219 | L214-K216 VanDerWaalsContact C-N 3.28Å; L214-K216 PolarHBondContact O-N 3.44Å; L214-M217 PolarHBondContact N-O 2.85Å; L214-M217 WeakPolarHBondContact O-CB 3.36Å; L214-M217 PolarHBondContact O-N 3.5Å; L214-Y219 HydrophobicContact CB-CD1 3.96Å; L214-Y219 HydrophobicContact CB-CE1 3.64Å |
| 215 | N | 91.1 | Very high | 97.4 | Very high | 140 Ų | 140 | 33.4 Ų | 33.4 | 75% | 0.749 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 46.2 | 179.1 | -60.3 | -25.9 | 0 | 0 | 0 | 113.4 | M217 | N215-M217 PolarHBondContact O-N 3.35Š|
| 216 | K | 91.4 | Very high | 97.3 | Very high | 213 Ų | 213 | 33.4 Ų | 33.4 | 93% | 0.926 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65 | 8.8 | -176.1 | -50.1 | 178.2 | 180 | 178.5 | 0 | 115.4 | L214 | L214-K216 VanDerWaalsContact C-N 3.28Å; L214-K216 PolarHBondContact O-N 3.44Å |
| 217 | M | 95.2 | Very high | 97.3 | Very high | 86 Ų | 86 | 33.6 Ų | 33.6 | 42% | 0.424 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 120.1 | 170.3 | -66.2 | -166.1 | -68.1 | 0 | 0 | 110.4 | V191 S213 L214 N215 | V191-M217 HydrophobicContact CB-CE 4.1Å; V191-M217 HydrophobicContact CG2-CB 4.42Å; V191-M217 HydrophobicContact CG2-CE 4.3Å; S213-M217 CarbonylContact C-O 3.45Å; S213-M217 WeakPolarHBondContact CA-O 3.33Å; L214-M217 PolarHBondContact N-O 2.85Å; L214-M217 WeakPolarHBondContact O-CB 3.36Å; L214-M217 PolarHBondContact O-N 3.5Å; N215-M217 PolarHBondContact O-N 3.35Å |
| 218 | D | 98.2 | Very high | 97.2 | Very high | 47 Ų | 47 | 37.9 Ų | 37.9 | 25% | 0.251 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 140.5 | 171.5 | -75.2 | -10 | 0 | 0 | 0 | 110.2 | G212 S213 R240 N241 | G212-D218 WeakPolarHBondContact O-CA 3.31Å; S213-D218 WeakPolarHBondContact CB-OD1 2.88Å; S213-D218 PolarHBondContact OG-OD1 3.27Å; D218-R240 HydrophobicContact CB-CB 3.97Å; D218-R240 HydrophobicContact CB-CG 4.32Å; D218-R240 WeakPolarHBondContact CB-O 3.29Å; D218-R240 PolarHBondContact O-N 2.88Å; D218-R240 IonicContact OD1-NH2 3.65Å; D218-R240 PolarHBondContact OD1-NH2 3.06Å; D218-R240 IonicContact OD2-CZ 3.5Å; D218-R240 IonicContact OD2-NH1 2.8Å; D218-R240 IonicContact OD2-NH2 3.39Å; D218-N241 HydrophobicContact CB-CB 4.49Å; D218-N241 PolarHBondContact OD2-ND2 3.37Å |
| 219 | Y | 98.8 | Very high | 97 | Very high | 39 Ų | 39 | 41.2 Ų | 41.2 | 15% | 0.153 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 157.3 | 177.3 | 64 | -97.2 | 0 | 0 | 0 | 113 | V191 Y211 G212 S213 L214 I221 L237 M238 R240 | V191-Y219 HydrophobicContact CG2-CD1 4.08Å; V191-Y219 HydrophobicContact CG2-CG 4.37Å; Y211-Y219 CarbonylContact C-O 3.58Å; Y211-Y219 WeakPolarHBondContact CA-O 3.35Å; Y211-Y219 VanDerWaalsContact CB-O 3.28Å; Y211-Y219 WeakPolarHBondContact CB-O 3.27Å; G212-Y219 PolarHBondContact N-O 3.03Å; G212-Y219 PolarHBondContact O-N 3.07Å; S213-Y219 VanDerWaalsContact C-CE1 3.48Å; L214-Y219 HydrophobicContact CB-CD1 3.96Å; L214-Y219 HydrophobicContact CB-CE1 3.64Å; Y219-I221 HydrophobicContact CD2-CG1 4.03Å; Y219-I221 HydrophobicContact CE2-CD1 4.21Å; Y219-I221 HydrophobicContact CE2-CG1 3.61Å; Y219-L237 HydrophobicContact CD1-CD1 4.47Å; Y219-L237 HydrophobicContact CD2-CB 4.12Å; Y219-L237 HydrophobicContact CD2-CD1 4.23Å; Y219-L237 HydrophobicContact CD2-CD2 3.74Å; Y219-L237 HydrophobicContact CD2-CG 4.25Å; Y219-L237 HydrophobicContact CE1-CD1 4.48Å; Y219-L237 HydrophobicContact CE2-CD1 4.27Å; Y219-L237 HydrophobicContact CE2-CD2 3.82Å; Y219-L237 HydrophobicContact CG-CB 4.15Å; Y219-L237 HydrophobicContact CG-CD1 4.34Å; Y219-M238 CarbonylContact C-O 3.43Å; Y219-M238 WeakPolarHBondContact CA-O 3.44Å; Y219-M238 WeakPolarHBondContact CB-O 3.39Å; Y219-R240 PolarHBondContact O-NE 3.38Å |
| 220 | W | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 141.4 | 161.5 | -60.6 | 108.5 | 0 | 0 | 0 | 109.3 | E160 L163 M164 V167 V208 Y211 V222 L237 M238 R240 I248 | E160-W220 HydrophobicContact CB-CZ2 4.14Å; E160-W220 HydrophobicContact CG-CZ2 4.48Å; E160-W220 PolarHBondContact OE1-NE1 3.27Å; L163-W220 HydrophobicContact CB-CH2 4.04Å; L163-W220 HydrophobicContact CB-CZ2 4.27Å; L163-W220 HydrophobicContact CD2-CD2 4.46Å; L163-W220 HydrophobicContact CD2-CH2 4Å; L163-W220 HydrophobicContact CD2-CZ2 3.77Å; L163-W220 HydrophobicContact CD2-CZ3 4.44Å; L163-W220 HydrophobicContact CG-CH2 3.72Å; L163-W220 HydrophobicContact CG-CZ2 4Å; L163-W220 HydrophobicContact CG-CZ3 4.11Å; M164-W220 HydrophobicContact CB-CH2 3.7Å; M164-W220 HydrophobicContact CB-CZ3 4.26Å; M164-W220 HydrophobicContact CG-CH2 4.44Å; V167-W220 HydrophobicContact CG2-CZ3 4.25Å; V208-W220 HydrophobicContact CG1-CB 4.47Å; V208-W220 HydrophobicContact CG1-CD2 4.35Å; V208-W220 HydrophobicContact CG1-CE3 3.65Å; V208-W220 HydrophobicContact CG1-CZ3 4.31Å; Y211-W220 HydrophobicContact CD1-CE3 4.45Å; Y211-W220 AromaticContact CD1-CZ3 3.93Å; Y211-W220 HydrophobicContact CD1-CZ3 3.93Å; Y211-W220 HydrophobicContact CG-CZ3 4.21Å; W220-V222 HydrophobicContact CB-CG2 3.91Å; W220-L237 CarbonylContact O-C 3.42Å; W220-L237 VanDerWaalsContact O-CA 3.23Å; W220-L237 WeakPolarHBondContact O-CA 3.43Å; W220-M238 HydrophobicContact CB-CB 4.45Å; W220-M238 PolarHBondContact N-O 3.34Å; W220-M238 PolarHBondContact O-N 3.03Å; W220-R240 HydrophobicContact CD2-CB 4.17Å; W220-R240 HydrophobicContact CD2-CG 4.04Å; W220-R240 HydrophobicContact CG-CB 4.07Å; W220-R240 HydrophobicContact CG-CG 4.47Å; W220-R240 HydrophobicContact CH2-CG 4.21Å; W220-R240 HydrophobicContact CZ2-CB 4.4Å; W220-R240 HydrophobicContact CZ2-CG 3.51Å; W220-I248 HydrophobicContact CB-CD1 3.9Å; W220-I248 HydrophobicContact CG-CD1 3.76Å |
| 221 | I | 98.9 | Very high | 96.9 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 116.7 | 167.1 | -52.7 | 173.5 | 0 | 0 | 0 | 106.5 | D46 V209 G210 Y219 Y235 L237 | D46-I221 HydrophobicContact CB-CD1 3.92Å; V209-I221 HydrophobicContact CG2-CB 4.01Å; V209-I221 HydrophobicContact CG2-CG2 3.58Å; V209-I221 WeakPolarHBondContact CG2-O 3.34Å; V209-I221 PolarHBondContact N-O 3.12Å; G210-I221 PolarHBondContact O-N 2.95Å; Y219-I221 HydrophobicContact CD2-CG1 4.03Å; Y219-I221 HydrophobicContact CE2-CD1 4.21Å; Y219-I221 HydrophobicContact CE2-CG1 3.61Å; I221-Y235 HydrophobicContact CG2-CD1 4.25Å; I221-L237 HydrophobicContact CB-CD2 4.41Å; I221-L237 HydrophobicContact CG1-CD2 4.01Å; I221-L237 HydrophobicContact CG2-CD2 4.37Å |
| 222 | V | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.2 | -173.7 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | V206 L207 V208 W220 Y235 V236 M238 I248 | V206-V222 HydrophobicContact CB-CG1 3.61Å; V206-V222 HydrophobicContact CG1-CG1 4.37Å; V206-V222 HydrophobicContact CG2-CG1 3.42Å; V206-V222 VanDerWaalsContact CG2-CG1 3.42Å; L207-V222 CarbonylContact O-C 3.49Å; L207-V222 WeakPolarHBondContact O-CA 3.35Å; V208-V222 HydrophobicContact CG2-CG2 4.28Å; W220-V222 HydrophobicContact CB-CG2 3.91Å; V222-Y235 CarbonylContact O-C 3.6Å; V222-Y235 VanDerWaalsContact O-CA 3.22Å; V222-Y235 WeakPolarHBondContact O-CA 3.28Å; V222-Y235 WeakPolarHBondContact O-CB 3.14Å; V222-Y235 WeakPolarHBondContact O-CD1 3.43Å; V222-V236 HydrophobicContact CB-CG1 3.82Å; V222-V236 HydrophobicContact CG1-CG1 4.21Å; V222-V236 PolarHBondContact N-O 3.34Å; V222-V236 PolarHBondContact O-N 2.94Å; V222-M238 HydrophobicContact CB-SD 4.49Å; V222-M238 HydrophobicContact CG2-CB 4.26Å; V222-M238 HydrophobicContact CG2-CG 3.97Å; V222-M238 HydrophobicContact CG2-SD 3.98Å; V222-I248 HydrophobicContact CG2-CD1 3.87Å |
| 223 | K | 98.9 | Very high | 96.8 | Very high | 17 Ų | 17 | 52.8 Ų | 52.8 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 127.8 | 171.4 | -174 | -177.2 | 178.2 | -178.7 | 0 | 108.7 | V53 T54 P55 V56 L207 V209 Y235 | V53-K223 HydrophobicContact CG1-CD 3.78Å; T54-K223 PolarHBondContact O-NZ 3.42Å; T54-K223 PolarHBondContact OG1-NZ 3.14Å; P55-K223 WeakPolarHBondContact O-CE 3.43Å; P55-K223 PolarHBondContact O-NZ 3.05Å; V56-K223 HydrophobicContact CG2-CG 4.27Å; L207-K223 HydrophobicContact CB-CB 4.21Å; L207-K223 HydrophobicContact CD2-CD 4.18Å; L207-K223 PolarHBondContact N-O 2.72Å; L207-K223 PolarHBondContact O-N 3.13Å; V209-K223 HydrophobicContact CG1-CB 4.05Å; K223-Y235 HydrophobicContact CB-CD1 3.92Å; K223-Y235 HydrophobicContact CB-CE1 3.53Å; K223-Y235 HydrophobicContact CD-CE1 4.4Å; K223-Y235 HydrophobicContact CG-CD1 4.39Å; K223-Y235 HydrophobicContact CG-CE1 3.74Å |
| 224 | N | 98.6 | Very high | 96.9 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | trans | -99.8 | 172.6 | 174 | -156.8 | -2.6 | 0 | 0 | 0 | 110.9 | H204 W226 W230 G234 | H204-N224 PolarHBondContact NE2-OD1 3.27Å; N224-W226 VanDerWaalsContact ND2-CD2 3.29Å; N224-W226 WeakPolarHBondContact ND2-CZ3 3.18Å; N224-W230 HydrophobicContact CB-CE3 3.77Å; N224-W230 HydrophobicContact CB-CH2 4.26Å; N224-W230 HydrophobicContact CB-CZ3 3.49Å; N224-W230 VanDerWaalsContact CB-CZ3 3.49Å; N224-W230 VanDerWaalsContact ND2-CE3 3.27Å; N224-W230 WeakPolarHBondContact ND2-CH2 3.46Å; N224-W230 WeakPolarHBondContact ND2-CZ3 3.49Å; N224-G234 WeakPolarHBondContact CB-O 3.42Å; N224-G234 PolarHBondContact N-O 2.69Å | ||
| 225 | S | 98.5 | Very high | 97.3 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -118.3 | 30.5 | -179.1 | 47.4 | 0 | 0 | 0 | 0 | 112.2 | K57 D58 Q59 | K57-S225 CarbonylContact O-C 3.59Å; D58-S225 CarbonylContact C-O 3.56Å; D58-S225 WeakPolarHBondContact CA-O 3.22Å; Q59-S225 WeakPolarHBondContact CB-O 3.35Å; Q59-S225 WeakPolarHBondContact CG-O 3.37Å; Q59-S225 PolarHBondContact N-O 3.06Å; Q59-S225 PolarHBondContact OE1-OG 3.16Å |
| 226 | W | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -114.1 | 29.5 | -176.6 | -65.9 | -13.1 | 0 | 0 | 0 | 112.4 | F4 F12 M16 Q59 A179 F184 H204 N224 W230 | F4-W226 HydrophobicContact CE2-CB 3.94Å; F4-W226 HydrophobicContact CE2-CD2 4.25Å; F4-W226 HydrophobicContact CE2-CE3 4.05Å; F4-W226 HydrophobicContact CE2-CG 4.24Å; F4-W226 HydrophobicContact CZ-CB 3.79Å; F4-W226 HydrophobicContact CZ-CD2 4.38Å; F4-W226 HydrophobicContact CZ-CG 4.04Å; F12-W226 AromaticContact CE1-CH2 3.83Å; F12-W226 HydrophobicContact CE1-CH2 3.83Å; F12-W226 HydrophobicContact CE1-CZ2 4.4Å; F12-W226 HydrophobicContact CE1-CZ3 4.25Å; F12-W226 HydrophobicContact CE2-CE3 4.39Å; F12-W226 HydrophobicContact CE2-CH2 4.31Å; F12-W226 HydrophobicContact CE2-CZ3 4.26Å; F12-W226 HydrophobicContact CZ-CD2 4.46Å; F12-W226 AromaticContact CZ-CE3 3.96Å; F12-W226 HydrophobicContact CZ-CE3 3.96Å; F12-W226 AromaticContact CZ-CH2 3.31Å; F12-W226 HydrophobicContact CZ-CH2 3.31Å; F12-W226 AromaticContact CZ-CZ2 3.84Å; F12-W226 HydrophobicContact CZ-CZ2 3.84Å; F12-W226 AromaticContact CZ-CZ3 3.4Å; F12-W226 HydrophobicContact CZ-CZ3 3.4Å; F12-W226 VanDerWaalsContact CZ-CZ3 3.4Å; M16-W226 HydrophobicContact CB-CZ2 3.99Å; M16-W226 HydrophobicContact CE-CG 3.98Å; M16-W226 PolarHBondContact O-NE1 3.01Å; Q59-W226 VanDerWaalsContact OE1-NE1 3.16Å; A179-W226 HydrophobicContact CB-CH2 4.27Å; F184-W226 AromaticContact CD1-CH2 3.73Å; F184-W226 HydrophobicContact CD1-CH2 3.73Å; F184-W226 AromaticContact CD1-CZ3 3.7Å; F184-W226 HydrophobicContact CD1-CZ3 3.7Å; F184-W226 AromaticContact CE1-CH2 3.5Å; F184-W226 HydrophobicContact CE1-CH2 3.5Å; F184-W226 AromaticContact CE1-CZ3 3.48Å; F184-W226 HydrophobicContact CE1-CZ3 3.48Å; F184-W226 VanDerWaalsContact CE1-CZ3 3.48Å; H204-W226 AromaticContact CD2-CZ2 3.69Å; H204-W226 AromaticContact CE1-CE2 3.63Å; H204-W226 AromaticContact CE1-CZ2 3.57Å; H204-W226 AromaticContact CE1-NE1 3.44Å; H204-W226 PolarHBondContact CE1-NE1 2.87Å; H204-W226 AromaticContact NE2-CE2 3.5Å; H204-W226 AromaticContact NE2-CZ2 3.34Å; H204-W226 VanDerWaalsContact NE2-CZ2 3.34Å; H204-W226 WeakPolarHBondContact NE2-CZ2 3.22Å; H204-W226 AromaticContact NE2-NE1 3.72Å; N224-W226 VanDerWaalsContact ND2-CD2 3.29Å; N224-W226 WeakPolarHBondContact ND2-CZ3 3.18Å; W226-W230 HydrophobicContact CB-CB 4.09Å; W226-W230 HydrophobicContact CB-CG 4.25Å; W226-W230 AromaticContact CE3-CD1 3.71Å; W226-W230 AromaticContact CE3-CD2 3.82Å; W226-W230 HydrophobicContact CE3-CD2 3.82Å; W226-W230 AromaticContact CE3-CE2 3.54Å; W226-W230 AromaticContact CE3-CG 3.92Å; W226-W230 HydrophobicContact CE3-CG 3.92Å; W226-W230 HydrophobicContact CE3-CZ2 4.06Å; W226-W230 AromaticContact CE3-NE1 3.49Å; W226-W230 HydrophobicContact CZ3-CD2 4.41Å; W226-W230 AromaticContact CZ3-CE2 3.68Å; W226-W230 AromaticContact CZ3-CZ2 3.82Å; W226-W230 HydrophobicContact CZ3-CZ2 3.82Å; W226-W230 AromaticContact CZ3-NE1 3.64Å |
| 227 | G | 97.5 | Very high | 98 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 7% | 0.072 | 17% | 0.171 | C | C | . | . | trans | 71.7 | 171.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K57 S229 G234 | K57-G227 WeakPolarHBondContact O-CA 3.38Å; K57-G227 PolarHBondContact O-N 3.28Å; G227-S229 VanDerWaalsContact C-N 3.28Å; G227-S229 PolarHBondContact O-N 3.2Å; G227-G234 WeakPolarHBondContact O-CA 3.4Å | ||
| 228 | T | 97.1 | Very high | 98.2 | Very high | 95 Ų | 95 | 28.1 Ų | 28.1 | 58% | 0.583 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -11.4 | -178.1 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | V56 W230 K233 | V56-T228 HydrophobicContact CB-CG2 3.84Å; V56-T228 HydrophobicContact CG1-CG2 4.26Å; T228-W230 VanDerWaalsContact C-N 3.3Å; T228-K233 WeakPolarHBondContact O-CA 3.18Å |
| 229 | S | 95.8 | Very high | 98.2 | Very high | 71 Ų | 71 | 26 Ų | 26 | 50% | 0.497 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -21.7 | 176.9 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | S3 G227 | S3-S229 PolarHBondContact OG-OG 3.08Å; G227-S229 VanDerWaalsContact C-N 3.28Å; G227-S229 PolarHBondContact O-N 3.2Å |
| 230 | W | 97.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -89.8 | 144.4 | 176.8 | -179.1 | 91.5 | 0 | 0 | 0 | 111.7 | F4 F184 Q185 Y187 N224 W226 T228 G234 V236 | F4-W230 AromaticContact CD2-CD1 3.85Å; F4-W230 HydrophobicContact CE2-CB 4.19Å; F4-W230 AromaticContact CE2-CD1 3.62Å; F4-W230 HydrophobicContact CE2-CG 4.14Å; F184-W230 AromaticContact CD1-CZ2 3.99Å; F184-W230 HydrophobicContact CD1-CZ2 3.99Å; F184-W230 AromaticContact CE1-CH2 3.97Å; F184-W230 HydrophobicContact CE1-CH2 3.97Å; F184-W230 AromaticContact CE1-CZ2 3.67Å; F184-W230 HydrophobicContact CE1-CZ2 3.67Å; F184-W230 HydrophobicContact CE2-CH2 4.22Å; F184-W230 HydrophobicContact CE2-CZ2 4.35Å; F184-W230 HydrophobicContact CG-CZ2 4.47Å; F184-W230 AromaticContact CZ-CH2 3.72Å; F184-W230 HydrophobicContact CZ-CH2 3.72Å; F184-W230 AromaticContact CZ-CZ2 3.86Å; F184-W230 HydrophobicContact CZ-CZ2 3.86Å; F184-W230 WeakPolarHBondContact O-CZ2 3.41Å; F184-W230 PolarHBondContact O-NE1 3.26Å; Q185-W230 PolarHBondContact O-NE1 2.82Å; Y187-W230 HydrophobicContact CD1-CH2 4.07Å; Y187-W230 HydrophobicContact CD1-CZ2 4.27Å; Y187-W230 HydrophobicContact CD1-CZ3 4.43Å; N224-W230 HydrophobicContact CB-CE3 3.77Å; N224-W230 HydrophobicContact CB-CH2 4.26Å; N224-W230 HydrophobicContact CB-CZ3 3.49Å; N224-W230 VanDerWaalsContact CB-CZ3 3.49Å; N224-W230 VanDerWaalsContact ND2-CE3 3.27Å; N224-W230 WeakPolarHBondContact ND2-CH2 3.46Å; N224-W230 WeakPolarHBondContact ND2-CZ3 3.49Å; W226-W230 HydrophobicContact CB-CB 4.09Å; W226-W230 HydrophobicContact CB-CG 4.25Å; W226-W230 AromaticContact CE3-CD1 3.71Å; W226-W230 AromaticContact CE3-CD2 3.82Å; W226-W230 HydrophobicContact CE3-CD2 3.82Å; W226-W230 AromaticContact CE3-CE2 3.54Å; W226-W230 AromaticContact CE3-CG 3.92Å; W226-W230 HydrophobicContact CE3-CG 3.92Å; W226-W230 HydrophobicContact CE3-CZ2 4.06Å; W226-W230 AromaticContact CE3-NE1 3.49Å; W226-W230 HydrophobicContact CZ3-CD2 4.41Å; W226-W230 AromaticContact CZ3-CE2 3.68Å; W226-W230 AromaticContact CZ3-CZ2 3.82Å; W226-W230 HydrophobicContact CZ3-CZ2 3.82Å; W226-W230 AromaticContact CZ3-NE1 3.64Å; T228-W230 VanDerWaalsContact C-N 3.3Å; W230-G234 WeakPolarHBondContact O-CA 3.32Å; W230-G234 PolarHBondContact O-N 3.12Å; W230-V236 HydrophobicContact CH2-CB 3.74Å; W230-V236 HydrophobicContact CH2-CG1 3.81Å; W230-V236 HydrophobicContact CZ3-CB 4.05Å; W230-V236 HydrophobicContact CZ3-CG1 4.17Å |
| 231 | G | 97.9 | Very high | 98.1 | Very high | 9 Ų | 9 | 29 Ų | 29 | 9% | 0.093 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | -151.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y187 H188 K233 | Y187-G231 WeakPolarHBondContact O-CA 3.43Å; Y187-G231 PolarHBondContact O-N 3.03Å; H188-G231 CarbonylContact O-C 3.5Å; H188-G231 VanDerWaalsContact O-C 3.24Å; G231-K233 PolarHBondContact O-N 3.43Å |
| 232 | D | 97.8 | Very high | 98 | Very high | 79 Ų | 79 | 32.6 Ų | 32.6 | 42% | 0.422 | 17% | 0.173 | S | C | . | . | B | Isolated β-bridge | trans | -88.6 | 84.9 | 174.1 | -174.4 | 10 | 0 | 0 | 0 | 108.5 | H188 G234 Y235 | H188-D232 PolarHBondContact O-N 3.46Å; D232-G234 VanDerWaalsContact C-N 3.29Å; D232-G234 PolarHBondContact O-N 3.45Å; D232-Y235 PolarHBondContact N-O 3.14Å; D232-Y235 WeakPolarHBondContact O-CB 3.3Å; D232-Y235 PolarHBondContact O-N 3.31Å; D232-Y235 VanDerWaalsContact O-N 3.09Å |
| 233 | K | 97.7 | Very high | 97.9 | Very high | 158 Ų | 158 | 42.2 Ų | 42.2 | 69% | 0.687 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 41.9 | -177.3 | -55.8 | 179.1 | -178.3 | 179.6 | 0 | 112.8 | T228 G231 Y235 | T228-K233 WeakPolarHBondContact O-CA 3.18Å; G231-K233 PolarHBondContact O-N 3.43Å; K233-Y235 WeakPolarHBondContact O-CD2 3.24Å |
| 234 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 4.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | N224 G227 W230 D232 | N224-G234 WeakPolarHBondContact CB-O 3.42Å; N224-G234 PolarHBondContact N-O 2.69Å; G227-G234 WeakPolarHBondContact O-CA 3.4Å; W230-G234 WeakPolarHBondContact O-CA 3.32Å; W230-G234 PolarHBondContact O-N 3.12Å; D232-G234 VanDerWaalsContact C-N 3.29Å; D232-G234 PolarHBondContact O-N 3.45Å |
| 235 | Y | 98.8 | Very high | 97.9 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 10% | 0.102 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 157.1 | 178 | -63.5 | -93.2 | 0 | 0 | 0 | 111.9 | R48 V56 Y187 V209 I221 V222 K223 D232 K233 | R48-Y235 VanDerWaalsContact CD-CZ 3.46Å; R48-Y235 HydrophobicContact CG-CE1 4.12Å; V56-Y235 HydrophobicContact CG2-CD2 4.1Å; V56-Y235 HydrophobicContact CG2-CE2 3.43Å; V56-Y235 VanDerWaalsContact CG2-CE2 3.43Å; Y187-Y235 VanDerWaalsContact CE1-O 3.3Å; Y187-Y235 WeakPolarHBondContact CE1-O 3.09Å; V209-Y235 HydrophobicContact CG2-CD1 4.29Å; V209-Y235 HydrophobicContact CG2-CE1 4Å; I221-Y235 HydrophobicContact CG2-CD1 4.25Å; V222-Y235 CarbonylContact O-C 3.6Å; V222-Y235 VanDerWaalsContact O-CA 3.22Å; V222-Y235 WeakPolarHBondContact O-CA 3.28Å; V222-Y235 WeakPolarHBondContact O-CB 3.14Å; V222-Y235 WeakPolarHBondContact O-CD1 3.43Å; K223-Y235 HydrophobicContact CB-CD1 3.92Å; K223-Y235 HydrophobicContact CB-CE1 3.53Å; K223-Y235 HydrophobicContact CD-CE1 4.4Å; K223-Y235 HydrophobicContact CG-CD1 4.39Å; K223-Y235 HydrophobicContact CG-CE1 3.74Å; D232-Y235 PolarHBondContact N-O 3.14Å; D232-Y235 WeakPolarHBondContact O-CB 3.3Å; D232-Y235 PolarHBondContact O-N 3.31Å; D232-Y235 VanDerWaalsContact O-N 3.09Å; K233-Y235 WeakPolarHBondContact O-CD2 3.24Å |
| 236 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 140.8 | 168.6 | 56 | 0 | 0 | 0 | 0 | 109.9 | F184 Y187 Y192 V222 W230 M238 | F184-V236 HydrophobicContact CE2-CG1 4.14Å; F184-V236 HydrophobicContact CE2-CG2 4.45Å; F184-V236 HydrophobicContact CZ-CG1 4.29Å; Y187-V236 HydrophobicContact CD1-CB 3.77Å; Y187-V236 HydrophobicContact CD1-CG2 3.74Å; Y187-V236 HydrophobicContact CD2-CG2 3.88Å; Y187-V236 HydrophobicContact CE1-CB 3.62Å; Y187-V236 HydrophobicContact CE1-CG2 3.68Å; Y187-V236 HydrophobicContact CE2-CG2 3.76Å; Y187-V236 HydrophobicContact CG-CB 4.38Å; Y187-V236 HydrophobicContact CG-CG2 3.86Å; Y192-V236 HydrophobicContact CG-CG2 4.32Å; V222-V236 HydrophobicContact CB-CG1 3.82Å; V222-V236 HydrophobicContact CG1-CG1 4.21Å; V222-V236 PolarHBondContact N-O 3.34Å; V222-V236 PolarHBondContact O-N 2.94Å; W230-V236 HydrophobicContact CH2-CB 3.74Å; W230-V236 HydrophobicContact CH2-CG1 3.81Å; W230-V236 HydrophobicContact CZ3-CB 4.05Å; W230-V236 HydrophobicContact CZ3-CG1 4.17Å; V236-M238 HydrophobicContact CG1-CG 3.9Å; V236-M238 HydrophobicContact CG1-SD 4.3Å; V236-M238 HydrophobicContact CG2-CG 3.95Å |
| 237 | L | 98.7 | Very high | 97.9 | Very high | 28 Ų | 28 | 42 Ų | 42 | 15% | 0.147 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 108.4 | 166.9 | -54.3 | -174.5 | 0 | 0 | 0 | 107.7 | Y187 V191 Y192 Y219 W220 I221 | Y187-L237 PolarHBondContact OH-N 3.05Å; V191-L237 CarbonylContact C-O 3.57Å; V191-L237 WeakPolarHBondContact CA-O 3.37Å; V191-L237 HydrophobicContact CG2-CB 4.43Å; Y192-L237 WeakPolarHBondContact CB-O 3.5Å; Y192-L237 PolarHBondContact N-O 3.17Å; Y219-L237 HydrophobicContact CD1-CD1 4.47Å; Y219-L237 HydrophobicContact CD2-CB 4.12Å; Y219-L237 HydrophobicContact CD2-CD1 4.23Å; Y219-L237 HydrophobicContact CD2-CD2 3.74Å; Y219-L237 HydrophobicContact CD2-CG 4.25Å; Y219-L237 HydrophobicContact CE1-CD1 4.48Å; Y219-L237 HydrophobicContact CE2-CD1 4.27Å; Y219-L237 HydrophobicContact CE2-CD2 3.82Å; Y219-L237 HydrophobicContact CG-CB 4.15Å; Y219-L237 HydrophobicContact CG-CD1 4.34Å; W220-L237 CarbonylContact O-C 3.42Å; W220-L237 VanDerWaalsContact O-CA 3.23Å; W220-L237 WeakPolarHBondContact O-CA 3.43Å; I221-L237 HydrophobicContact CB-CD2 4.41Å; I221-L237 HydrophobicContact CG1-CD2 4.01Å; I221-L237 HydrophobicContact CG2-CD2 4.37Å |
| 238 | M | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 140.6 | 179.7 | -65.5 | -172.6 | 72.1 | 0 | 0 | 110.8 | I177 F184 Y192 Y219 W220 V222 V236 R240 C246 I248 | I177-M238 HydrophobicContact CB-CE 4.29Å; I177-M238 HydrophobicContact CD1-CE 3.96Å; I177-M238 HydrophobicContact CD1-SD 3.82Å; I177-M238 HydrophobicContact CG2-CE 3.98Å; I177-M238 HydrophobicContact CG2-SD 4.1Å; F184-M238 HydrophobicContact CE2-CE 4.43Å; F184-M238 HydrophobicContact CE2-SD 4.32Å; Y192-M238 HydrophobicContact CD1-CE 4.26Å; Y219-M238 CarbonylContact C-O 3.43Å; Y219-M238 WeakPolarHBondContact CA-O 3.44Å; Y219-M238 WeakPolarHBondContact CB-O 3.39Å; W220-M238 HydrophobicContact CB-CB 4.45Å; W220-M238 PolarHBondContact N-O 3.34Å; W220-M238 PolarHBondContact O-N 3.03Å; V222-M238 HydrophobicContact CB-SD 4.49Å; V222-M238 HydrophobicContact CG2-CB 4.26Å; V222-M238 HydrophobicContact CG2-CG 3.97Å; V222-M238 HydrophobicContact CG2-SD 3.98Å; V236-M238 HydrophobicContact CG1-CG 3.9Å; V236-M238 HydrophobicContact CG1-SD 4.3Å; V236-M238 HydrophobicContact CG2-CG 3.95Å; M238-R240 PolarHBondContact O-N 2.91Å; M238-C246 HydrophobicContact CE-CB 3.77Å; M238-I248 HydrophobicContact CB-CD1 4.02Å; M238-I248 HydrophobicContact CG-CD1 4.49Å; M238-I248 HydrophobicContact SD-CD1 3.87Å |
| 239 | A | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 3% | 0.025 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 125.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V191 Y192 Y193 K242 N245 | V191-A239 HydrophobicContact CG1-CB 4.07Å; Y192-A239 WeakPolarHBondContact O-CB 3.27Å; Y192-A239 PolarHBondContact O-N 3.37Å; Y193-A239 HydrophobicContact CD2-CB 4.03Å; A239-K242 HydrophobicContact CB-CB 4.1Å; A239-K242 HydrophobicContact CB-CD 4.11Å; A239-N245 HydrophobicContact CB-CB 4.45Å |
| 240 | R | 98.6 | Very high | 98.1 | Very high | 16 Ų | 16 | 34.4 Ų | 34.4 | 6% | 0.06 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -104.3 | 153 | 175.2 | 177.2 | 170.8 | 66 | 80.7 | 5.1 | 109.8 | E160 G212 D218 Y219 W220 M238 K242 | E160-R240 WeakPolarHBondContact OE1-CA 3.3Å; G212-R240 PolarHBondContact O-NH2 3.34Å; D218-R240 HydrophobicContact CB-CB 3.97Å; D218-R240 HydrophobicContact CB-CG 4.32Å; D218-R240 WeakPolarHBondContact CB-O 3.29Å; D218-R240 PolarHBondContact O-N 2.88Å; D218-R240 IonicContact OD1-NH2 3.65Å; D218-R240 PolarHBondContact OD1-NH2 3.06Å; D218-R240 IonicContact OD2-CZ 3.5Å; D218-R240 IonicContact OD2-NH1 2.8Å; D218-R240 IonicContact OD2-NH2 3.39Å; Y219-R240 PolarHBondContact O-NE 3.38Å; W220-R240 HydrophobicContact CD2-CB 4.17Å; W220-R240 HydrophobicContact CD2-CG 4.04Å; W220-R240 HydrophobicContact CG-CB 4.07Å; W220-R240 HydrophobicContact CG-CG 4.47Å; W220-R240 HydrophobicContact CH2-CG 4.21Å; W220-R240 HydrophobicContact CZ2-CB 4.4Å; W220-R240 HydrophobicContact CZ2-CG 3.51Å; M238-R240 PolarHBondContact O-N 2.91Å; R240-K242 PolarHBondContact O-N 3.13Å |
| 241 | N | 97.2 | Very high | 98.1 | Very high | 85 Ų | 85 | 35.5 Ų | 35.5 | 46% | 0.455 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 56.1 | 36.1 | -178.8 | -64.2 | -30.6 | 0 | 0 | 0 | 112.2 | E160 D218 | E160-N241 VanDerWaalsContact CD-N 3.29Å; E160-N241 PolarHBondContact OE1-N 2.78Å; E160-N241 WeakPolarHBondContact OE2-CA 3.37Å; E160-N241 PolarHBondContact OE2-N 2.56Å; D218-N241 HydrophobicContact CB-CB 4.49Å; D218-N241 PolarHBondContact OD2-ND2 3.37Å |
| 242 | K | 97.2 | Very high | 98.1 | Very high | 80 Ų | 80 | 35.2 Ų | 35.2 | 35% | 0.348 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -130.4 | 54.1 | -174.4 | -157 | 162.4 | 179.9 | 174.7 | 0 | 111.5 | E160 Y193 A239 R240 | E160-K242 PolarHBondContact OE2-N 2.81Å; Y193-K242 HydrophobicContact CD2-CD 3.47Å; Y193-K242 VanDerWaalsContact CD2-CD 3.47Å; Y193-K242 HydrophobicContact CD2-CG 3.94Å; Y193-K242 HydrophobicContact CE2-CD 3.59Å; Y193-K242 VanDerWaalsContact CE2-CE 3.46Å; Y193-K242 HydrophobicContact CE2-CG 3.65Å; Y193-K242 HydrophobicContact CG-CD 4.17Å; A239-K242 HydrophobicContact CB-CB 4.1Å; A239-K242 HydrophobicContact CB-CD 4.11Å; R240-K242 PolarHBondContact O-N 3.13Å |
| 243 | R | 97 | Very high | 98.1 | Very high | 201 Ų | 201 | 31.6 Ų | 31.6 | 76% | 0.758 | 15% | 0.145 | S | C | * | . | S | Bend | trans | 59.8 | 45.8 | -177.6 | -57.2 | 179.8 | -70.6 | -168.1 | -2.4 | 111.9 | Y193 N245 | Y193-R243 PolarHBondContact OH-NH2 3.28Å; R243-N245 VanDerWaalsContact C-N 3.33Å; R243-N245 PolarHBondContact O-N 2.78Å |
| 244 | N | 98.3 | Very high | 98.1 | Very high | 12 Ų | 12 | 24.4 Ų | 24.4 | 6% | 0.064 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 51.2 | 51.8 | 177.9 | -173.7 | 24.7 | 0 | 0 | 0 | 111.8 | D158 E160 T199 C246 G247 I248 A249 S250 | D158-N244 PolarHBondContact OD1-ND2 3.32Å; E160-N244 HydrophobicContact CG-CB 4.46Å; E160-N244 WeakPolarHBondContact OE2-CA 3.5Å; E160-N244 PolarHBondContact OE2-N 3.31Å; T199-N244 VanDerWaalsContact CG2-O 3.32Å; T199-N244 WeakPolarHBondContact CG2-O 3.34Å; N244-C246 PolarHBondContact O-N 2.85Å; N244-G247 WeakPolarHBondContact O-CA 3.41Å; N244-G247 PolarHBondContact O-N 2.76Å; N244-G247 VanDerWaalsContact OD1-C 3.3Å; N244-I248 PolarHBondContact OD1-N 2.99Å; N244-I248 VanDerWaalsContact OD1-N 3.11Å; N244-A249 WeakPolarHBondContact OD1-CB 3.47Å; N244-A249 PolarHBondContact OD1-N 3.03Å; N244-S250 PolarHBondContact ND2-OG 3.33Å |
| 245 | N | 98.6 | Very high | 98 | Very high | 12 Ų | 12 | 24.5 Ų | 24.5 | 6% | 0.064 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -56.8 | 132.9 | -169.5 | -169.8 | -127 | 0 | 0 | 0 | 111.1 | Y193 E194 A239 R243 G247 I248 | Y193-N245 HydrophobicContact CD2-CB 4.26Å; Y193-N245 HydrophobicContact CE2-CB 4.47Å; E194-N245 PolarHBondContact N-OD1 3.29Å; E194-N245 PolarHBondContact O-ND2 3.31Å; A239-N245 HydrophobicContact CB-CB 4.45Å; R243-N245 VanDerWaalsContact C-N 3.33Å; R243-N245 PolarHBondContact O-N 2.78Å; N245-G247 PolarHBondContact O-N 3.24Å; N245-G247 VanDerWaalsContact O-N 3.12Å; N245-I248 PolarHBondContact O-N 2.67Å |
| 246 | C | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | 56.9 | 19.8 | -174 | -44.1 | 0 | 0 | 0 | 0 | 114.6 | I177 D178 C197 M238 N244 I248 | I177-C246 CarbonylContact C-O 3.59Å; I177-C246 VanDerWaalsContact CA-O 3.24Å; I177-C246 WeakPolarHBondContact CA-O 3.48Å; I177-C246 HydrophobicContact CB-CB 4.47Å; D178-C246 HydrophobicContact CB-CB 4.29Å; D178-C246 PolarHBondContact N-O 2.86Å; C197-C246 HydrophobicContact CB-CB 3.73Å; C197-C246 WeakPolarHBondContact CB-SG 3.39Å; C197-C246 WeakPolarHBondContact SG-CB 3.02Å; C197-C246 CovalentContact SG-SG 2.04Å; C197-C246 PolarHBondContact SG-SG 2.04Å; M238-C246 HydrophobicContact CE-CB 3.77Å; N244-C246 PolarHBondContact O-N 2.85Å; C246-I248 VanDerWaalsContact C-N 3.33Å; C246-I248 PolarHBondContact O-N 3Å |
| 247 | G | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | 70.1 | 23.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N244 N245 A249 S250 | N244-G247 WeakPolarHBondContact O-CA 3.41Å; N244-G247 PolarHBondContact O-N 2.76Å; N244-G247 VanDerWaalsContact OD1-C 3.3Å; N245-G247 PolarHBondContact O-N 3.24Å; N245-G247 VanDerWaalsContact O-N 3.12Å; G247-A249 PolarHBondContact O-N 2.54Å; G247-S250 WeakPolarHBondContact CA-OG 3.28Å; G247-S250 WeakPolarHBondContact O-CB 3.28Å; G247-S250 PolarHBondContact O-N 2.84Å; G247-S250 PolarHBondContact O-OG 3.44Å |
| 248 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -26.1 | -173.2 | -165.7 | 159.2 | 0 | 0 | 0 | 115.3 | V175 I177 V208 W220 V222 M238 N244 N245 C246 | V175-I248 WeakPolarHBondContact CB-O 3.37Å; V175-I248 WeakPolarHBondContact CG1-O 3.5Å; V175-I248 HydrophobicContact CG2-CG1 4.04Å; I177-I248 HydrophobicContact CG2-CB 4.08Å; I177-I248 HydrophobicContact CG2-CD1 4.42Å; I177-I248 HydrophobicContact CG2-CG1 4.03Å; V208-I248 HydrophobicContact CG2-CD1 4.17Å; V208-I248 HydrophobicContact CG2-CG1 4.28Å; W220-I248 HydrophobicContact CB-CD1 3.9Å; W220-I248 HydrophobicContact CG-CD1 3.76Å; V222-I248 HydrophobicContact CG2-CD1 3.87Å; M238-I248 HydrophobicContact CB-CD1 4.02Å; M238-I248 HydrophobicContact CG-CD1 4.49Å; M238-I248 HydrophobicContact SD-CD1 3.87Å; N244-I248 PolarHBondContact OD1-N 2.99Å; N244-I248 VanDerWaalsContact OD1-N 3.11Å; N245-I248 PolarHBondContact O-N 2.67Å; C246-I248 VanDerWaalsContact C-N 3.33Å; C246-I248 PolarHBondContact O-N 3Å |
| 249 | A | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 6.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D158 E160 L163 N244 G247 | D158-A249 PolarHBondContact N-O 2.73Å; E160-A249 HydrophobicContact CG-CB 4.02Å; L163-A249 HydrophobicContact CB-CB 4.41Å; L163-A249 HydrophobicContact CD2-CB 4.05Å; N244-A249 WeakPolarHBondContact OD1-CB 3.47Å; N244-A249 PolarHBondContact OD1-N 3.03Å; G247-A249 PolarHBondContact O-N 2.54Å |
| 250 | S | 97.1 | Very high | 97.4 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 9% | 0.091 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -26.1 | -176.2 | -60.7 | 0 | 0 | 0 | 0 | 113.6 | K157 D158 T199 N244 G247 | K157-S250 WeakPolarHBondContact CG-O 3.32Å; D158-S250 WeakPolarHBondContact OD1-CA 3.44Å; D158-S250 VanDerWaalsContact OD1-CB 3.28Å; D158-S250 WeakPolarHBondContact OD1-CB 3.33Å; D158-S250 PolarHBondContact OD1-OG 2.83Å; T199-S250 PolarHBondContact O-OG 3.33Å; N244-S250 PolarHBondContact ND2-OG 3.33Å; G247-S250 WeakPolarHBondContact CA-OG 3.28Å; G247-S250 WeakPolarHBondContact O-CB 3.28Å; G247-S250 PolarHBondContact O-N 2.84Å; G247-S250 PolarHBondContact O-OG 3.44Å |
| 251 | A | 96.4 | Very high | 97.3 | Very high | 22 Ų | 22 | 30.1 Ų | 30.1 | 18% | 0.182 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -146.3 | 78.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y19 V175 A176 L202 | Y19-A251 HydrophobicContact CE2-CB 4.43Å; Y19-A251 VanDerWaalsContact OH-CB 3.3Å; Y19-A251 WeakPolarHBondContact OH-CB 3.44Å; V175-A251 CarbonylContact C-O 3.56Å; V175-A251 WeakPolarHBondContact CA-O 3.34Å; A176-A251 HydrophobicContact CB-CB 4.1Å; A176-A251 PolarHBondContact N-O 2.88Å; L202-A251 HydrophobicContact CD1-CB 3.8Å |
| 252 | A | 97.8 | Very high | 97.3 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 3% | 0.033 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 134.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | I155 L163 I173 S174 V175 | I155-A252 HydrophobicContact CB-CB 4.05Å; I155-A252 HydrophobicContact CD1-CB 4.03Å; I155-A252 HydrophobicContact CG1-CB 4.47Å; I155-A252 PolarHBondContact N-O 3.41Å; L163-A252 HydrophobicContact CD1-CB 4.03Å; I173-A252 HydrophobicContact CG2-CB 4.23Å; S174-A252 CarbonylContact O-C 3.34Å; S174-A252 VanDerWaalsContact O-CA 3.26Å; S174-A252 WeakPolarHBondContact O-CA 3.48Å; V175-A252 HydrophobicContact CG1-CB 3.75Å |
| 253 | S | 97.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.014 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 163.4 | -178.9 | 62.5 | 0 | 0 | 0 | 0 | 111.9 | D111 A153 I173 S174 | D111-S253 VanDerWaalsContact OD1-CB 3.25Å; D111-S253 WeakPolarHBondContact OD1-CB 3.35Å; D111-S253 PolarHBondContact OD1-OG 3.15Å; A153-S253 VanDerWaalsContact O-CA 3.26Å; A153-S253 WeakPolarHBondContact O-CA 3.01Å; A153-S253 WeakPolarHBondContact O-CB 3.3Å; I173-S253 WeakPolarHBondContact CG2-O 3.4Å; S174-S253 WeakPolarHBondContact CB-O 3.42Å; S174-S253 PolarHBondContact N-O 2.51Å; S174-S253 PolarHBondContact O-N 3.16Å |
| 254 | F | 98.1 | Very high | 97.4 | Very high | 8 Ų | 8 | 10.4 Ų | 10.4 | 4% | 0.035 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 148.9 | 176.7 | 59 | -90.8 | 0 | 0 | 0 | 111.5 | Y33 Y152 A153 I155 I170 I173 L256 | Y33-F254 HydrophobicContact CD1-CE1 4.44Å; Y33-F254 HydrophobicContact CD2-CE1 4.31Å; Y33-F254 AromaticContact CD2-CZ 3.94Å; Y33-F254 HydrophobicContact CD2-CZ 3.94Å; Y33-F254 AromaticContact CG-CE1 3.94Å; Y33-F254 HydrophobicContact CG-CE1 3.94Å; Y33-F254 HydrophobicContact CG-CZ 4.03Å; Y152-F254 VanDerWaalsContact CA-O 3.27Å; Y152-F254 WeakPolarHBondContact CA-O 3.14Å; Y152-F254 WeakPolarHBondContact CB-O 3.02Å; A153-F254 HydrophobicContact CB-CE1 4.07Å; A153-F254 HydrophobicContact CB-CE2 3.95Å; A153-F254 HydrophobicContact CB-CZ 3.69Å; A153-F254 PolarHBondContact N-O 2.82Å; A153-F254 PolarHBondContact O-N 3.47Å; A153-F254 VanDerWaalsContact O-N 3.08Å; I155-F254 HydrophobicContact CD1-CD1 4.21Å; I155-F254 HydrophobicContact CD1-CE1 4.42Å; I155-F254 HydrophobicContact CG1-CD1 4.1Å; I155-F254 HydrophobicContact CG1-CE1 3.99Å; I170-F254 HydrophobicContact CD1-CE2 4.44Å; I170-F254 HydrophobicContact CD1-CZ 4.47Å; I170-F254 HydrophobicContact CG1-CE2 4.29Å; I170-F254 HydrophobicContact CG1-CZ 4.12Å; I170-F254 HydrophobicContact CG2-CD2 3.61Å; I170-F254 HydrophobicContact CG2-CE2 3.82Å; I170-F254 HydrophobicContact CG2-CG 4Å; I170-F254 HydrophobicContact CG2-CZ 4.37Å; I173-F254 HydrophobicContact CD1-CB 3.71Å; I173-F254 HydrophobicContact CD1-CD1 3.75Å; I173-F254 HydrophobicContact CD1-CG 3.94Å; F254-L256 HydrophobicContact CD2-CD2 4.15Å; F254-L256 HydrophobicContact CE2-CD2 3.74Å |
| 255 | P | 97.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 10.2 Ų | 10.2 | 1% | 0.006 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 161.2 | 176.2 | 30.2 | -30.5 | 0 | 0 | 0 | 111.6 | S73 L74 Q77 F114 G151 | S73-P255 WeakPolarHBondContact OG-CD 3.12Å; L74-P255 HydrophobicContact CB-CG 3.9Å; L74-P255 HydrophobicContact CD1-CB 4.04Å; L74-P255 HydrophobicContact CD1-CG 3.96Å; Q77-P255 HydrophobicContact CB-CG 4.48Å; Q77-P255 HydrophobicContact CG-CG 4.01Å; F114-P255 HydrophobicContact CD1-CB 3.7Å; F114-P255 HydrophobicContact CD1-CG 4.2Å; F114-P255 HydrophobicContact CE1-CB 3.78Å; F114-P255 HydrophobicContact CE1-CG 3.74Å; F114-P255 HydrophobicContact CG-CB 4.19Å; F114-P255 HydrophobicContact CZ-CB 4.33Å; F114-P255 HydrophobicContact CZ-CG 4.12Å; G151-P255 CarbonylContact O-C 3.47Å; G151-P255 WeakPolarHBondContact O-CA 3.45Å |
| 256 | L | 96.2 | Very high | 97.2 | Very high | 43 Ų | 43 | 10.1 Ų | 10.1 | 23% | 0.225 | 6% | 0.063 | C | C | . | . | trans | -113.2 | 99.6 | -178 | -60.2 | 179 | 0 | 0 | 0 | 108.5 | D149 H150 G151 A153 F254 | D149-L256 PolarHBondContact OD1-N 2.96Å; D149-L256 VanDerWaalsContact OD1-O 3.08Å; H150-L256 WeakPolarHBondContact CA-O 3.31Å; H150-L256 VanDerWaalsContact CB-O 3.24Å; H150-L256 WeakPolarHBondContact CB-O 3.14Å; H150-L256 PolarHBondContact N-O 2.98Å; G151-L256 WeakPolarHBondContact O-CB 3.39Å; G151-L256 PolarHBondContact O-N 3.47Å; A153-L256 HydrophobicContact CB-CD2 4.34Å; F254-L256 HydrophobicContact CD2-CD2 4.15Å; F254-L256 HydrophobicContact CE2-CD2 3.74Å | ||
| 257 | V | 91.2 | Very high | 97.1 | Very high | 28 Ų | 28 | 11 Ų | 11 | 17% | 0.17 | 7% | 0.069 | C | C | . | . | trans | -86.7 | 0 | -179.9 | -164.9 | 0 | 0 | 0 | 0 | 111.4 | L74 Q77 K81 Y82 H150 | L74-V257 HydrophobicContact CD1-CG2 3.56Å; Q77-V257 HydrophobicContact CB-CB 4.34Å; Q77-V257 HydrophobicContact CB-CG2 3.37Å; Q77-V257 HydrophobicContact CG-CG2 4.44Å; K81-V257 HydrophobicContact CB-CG1 4.41Å; K81-V257 HydrophobicContact CD-CB 4.03Å; K81-V257 HydrophobicContact CD-CG1 3.77Å; K81-V257 VanDerWaalsContact CD-O 3.27Å; K81-V257 WeakPolarHBondContact CD-O 3.24Å; K81-V257 PolarHBondContact NZ-O 3.04Å; K81-V257 PolarHBondContact NZ-OXT 3.14Å; Y82-V257 HydrophobicContact CD2-CG1 4.22Å; Y82-V257 HydrophobicContact CE2-CG1 3.42Å; Y82-V257 VanDerWaalsContact CE2-CG1 3.42Å; H150-V257 PolarHBondContact CE1-OXT 3.46Å; H150-V257 PolarHBondContact ND1-OXT 3.41Å |
Retrieved 257 of 257 residues in 498.1 ms
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