| 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 | 37.9 | Very low | 59 | Low | 247 Ų | 247 | 111.3 Ų | 111.3 | 100% | 1.217 | 58% | 0.577 | S | S | * | * | 0 | 115.2 | 0 | -71.8 | 171.9 | -172.7 | 0 | 0 | 107 | S3 | M1-S3 PolarHBondContact O-N 3.25Š| |||
| 2 | R | 36.5 | Very low | 62.1 | Low | 227 Ų | 227 | 106.5 Ų | 106.5 | 86% | 0.857 | 56% | 0.558 | S | S | * | * | trans | -66.2 | 129.8 | 171 | -77.5 | -176.2 | 179.8 | 179.4 | -1.2 | 107.4 | T4 | R2-T4 PolarHBondContact O-N 3.19Š| ||
| 3 | S | 41.6 | Very low | 64.7 | Low | 66 Ų | 66 | 109.5 Ų | 109.5 | 46% | 0.462 | 57% | 0.567 | S | S | . | * | trans | -54.8 | 129.7 | 174.9 | 179 | 0 | 0 | 0 | 0 | 108.3 | M1 T5 E6 | M1-S3 PolarHBondContact O-N 3.25Å; S3-T5 WeakPolarHBondContact CB-OG1 3.47Å; S3-T5 PolarHBondContact O-N 3.49Å; S3-T5 PolarHBondContact OG-N 3.21Å; S3-T5 PolarHBondContact OG-OG1 3.42Å; S3-E6 PolarHBondContact O-N 2.61Å | ||
| 4 | T | 50.7 | Low | 67 | Low | 65 Ų | 65 | 106.8 Ų | 106.8 | 40% | 0.399 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -61.3 | -11.5 | 178.2 | 59 | 0 | 0 | 0 | 0 | 111.6 | R2 E6 R169 | R2-T4 PolarHBondContact O-N 3.19Å; T4-E6 VanDerWaalsContact C-N 3.27Å; T4-E6 PolarHBondContact O-N 3.36Å; T4-R169 PolarHBondContact O-NH1 2.74Å; T4-R169 PolarHBondContact O-NH2 2.99Å; T4-R169 PolarHBondContact OG1-NH1 3.49Å |
| 5 | T | 50.3 | Low | 69.1 | Low | 80 Ų | 80 | 100.9 Ų | 100.9 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -63.7 | -21.5 | 175.5 | 56.7 | 0 | 0 | 0 | 0 | 115.1 | S3 R169 | S3-T5 WeakPolarHBondContact CB-OG1 3.47Å; S3-T5 PolarHBondContact O-N 3.49Å; S3-T5 PolarHBondContact OG-N 3.21Å; S3-T5 PolarHBondContact OG-OG1 3.42Å; T5-R169 VanDerWaalsContact CG2-NH1 3.34Å; T5-R169 VanDerWaalsContact N-NH1 3.17Å |
| 6 | E | 51.5 | Low | 71 | Confident | 144 Ų | 144 | 94.9 Ų | 94.9 | 67% | 0.673 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -90.1 | -17.9 | -169.5 | -72.8 | -178.3 | 155.6 | 0 | 0 | 115.5 | S3 T4 | S3-E6 PolarHBondContact O-N 2.61Å; T4-E6 VanDerWaalsContact C-N 3.27Å; T4-E6 PolarHBondContact O-N 3.36Å |
| 7 | E | 59.8 | Low | 72.6 | Confident | 133 Ų | 133 | 89.3 Ų | 89.3 | 62% | 0.621 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -79.1 | -28.4 | -168.4 | -159.6 | -176 | 148.6 | 0 | 0 | 114.1 | K177 | E7-K177 IonicContact OE1-NZ 3.93Š|
| 8 | Y | 60.7 | Low | 74 | Confident | 62 Ų | 62 | 89.1 Ų | 89.1 | 24% | 0.243 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -120.6 | -1.3 | -172.8 | -66.1 | -78.4 | 0 | 0 | 0 | 115.1 | E173 K177 | Y8-E173 HydrophobicContact CD2-CB 4.06Å; Y8-E173 HydrophobicContact CD2-CG 3.62Å; Y8-E173 HydrophobicContact CE2-CB 4.32Å; Y8-E173 HydrophobicContact CE2-CG 4.31Å; Y8-E173 HydrophobicContact CG-CB 4.44Å; Y8-E173 HydrophobicContact CG-CG 3.99Å; Y8-K177 HydrophobicContact CE1-CB 4.25Å; Y8-K177 HydrophobicContact CE1-CD 3.72Å; Y8-K177 HydrophobicContact CE1-CG 4.29Å; Y8-K177 WeakPolarHBondContact OH-CD 3.24Å; Y8-K177 WeakPolarHBondContact OH-CE 3.45Å; Y8-K177 PolarHBondContact OH-NZ 3.05Å |
| 9 | G | 76.3 | Confident | 75.3 | Confident | 35 Ų | 35 | 91.6 Ų | 91.6 | 36% | 0.361 | 47% | 0.467 | S | S | . | . | trans | 63.2 | -163.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I11 | G9-I11 PolarHBondContact O-N 2.79Š| ||
| 10 | P | 89.7 | Confident | 76.5 | Confident | 127 Ų | 127 | 93.2 Ų | 93.2 | 83% | 0.825 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -67.2 | 131.9 | 179.9 | 26.7 | -32.4 | 0 | 0 | 0 | 111.3 | ||
| 11 | I | 94.5 | Very high | 77.5 | Confident | 38 Ų | 38 | 90.1 Ų | 90.1 | 20% | 0.195 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 129 | 174.5 | -57.2 | -65.6 | 0 | 0 | 0 | 108.8 | G9 Q172 E173 M176 W217 | G9-I11 PolarHBondContact O-N 2.79Å; I11-Q172 HydrophobicContact CD1-CB 4.31Å; I11-Q172 HydrophobicContact CG2-CB 3.82Å; I11-Q172 VanDerWaalsContact CG2-CD 3.48Å; I11-Q172 HydrophobicContact CG2-CG 4.09Å; I11-E173 HydrophobicContact CD1-CG 3.93Å; I11-M176 HydrophobicContact CD1-CE 4.2Å; I11-M176 HydrophobicContact CD1-SD 3.8Å; I11-M176 HydrophobicContact CG2-SD 4.13Å; I11-W217 HydrophobicContact CG2-CH2 4.3Å; I11-W217 HydrophobicContact CG2-CZ2 3.54Å |
| 12 | P | 95.8 | Very high | 80.4 | Confident | 54 Ų | 54 | 82.6 Ų | 82.6 | 35% | 0.351 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -66 | 149.8 | 177.7 | 28.6 | -35.6 | 0 | 0 | 0 | 111.3 | V14 M176 W217 | P12-V14 PolarHBondContact O-N 3Å; P12-M176 HydrophobicContact CG-SD 4.31Å; P12-W217 HydrophobicContact CG-CZ2 4.13Å; P12-W217 PolarHBondContact O-NE1 2.98Å |
| 13 | E | 95.4 | Very high | 83.3 | Confident | 145 Ų | 145 | 74.9 Ų | 74.9 | 68% | 0.678 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -65.5 | -25.6 | 177.7 | -66.1 | -171.7 | 149.4 | 0 | 0 | 113.4 | W217 I219 | E13-W217 VanDerWaalsContact O-CD1 3.26Å; E13-I219 HydrophobicContact CB-CD1 3.91Å; E13-I219 HydrophobicContact CG-CD1 4.22Å |
| 14 | V | 97.6 | Very high | 86 | Confident | 72 Ų | 72 | 71.9 Ų | 71.9 | 44% | 0.436 | 38% | 0.375 | S | S | . | . | trans | -131.9 | 131.2 | -176.8 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | P12 W217 K218 | P12-V14 PolarHBondContact O-N 3Å; V14-W217 CarbonylContact C-O 3.49Å; V14-W217 WeakPolarHBondContact CA-O 3.3Å; V14-K218 HydrophobicContact CG1-CB 4.07Å; V14-K218 HydrophobicContact CG1-CD 3.88Å; V14-K218 HydrophobicContact CG1-CG 3.72Å; V14-K218 HydrophobicContact CG2-CB 4.31Å | ||
| 15 | F | 98.4 | Very high | 88.3 | Confident | 18 Ų | 18 | 73.7 Ų | 73.7 | 8% | 0.079 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 133.1 | 171.4 | -174.9 | -84.8 | 0 | 0 | 0 | 109.7 | A17 K20 W21 L175 M176 G216 W217 | F15-A17 HydrophobicContact CE1-CB 4.11Å; F15-K20 HydrophobicContact CE2-CB 4.16Å; F15-K20 HydrophobicContact CE2-CD 4.29Å; F15-K20 HydrophobicContact CE2-CG 3.94Å; F15-K20 HydrophobicContact CZ-CB 3.95Å; F15-K20 HydrophobicContact CZ-CG 3.87Å; F15-W21 HydrophobicContact CE1-CH2 4.44Å; F15-W21 HydrophobicContact CE1-CZ3 4.04Å; F15-W21 AromaticContact CZ-CH2 3.69Å; F15-W21 HydrophobicContact CZ-CH2 3.69Å; F15-W21 AromaticContact CZ-CZ3 3.64Å; F15-W21 HydrophobicContact CZ-CZ3 3.64Å; F15-L175 HydrophobicContact CD1-CD2 3.59Å; F15-L175 HydrophobicContact CD1-CG 4.09Å; F15-L175 HydrophobicContact CE1-CD2 3.73Å; F15-L175 HydrophobicContact CE1-CG 3.71Å; F15-M176 HydrophobicContact CD2-CG 3.72Å; F15-M176 HydrophobicContact CE2-CB 4.36Å; F15-M176 HydrophobicContact CE2-CG 3.64Å; F15-M176 HydrophobicContact CG-CG 4.41Å; F15-M176 HydrophobicContact CZ-CG 4.27Å; F15-G216 CarbonylContact O-C 3.57Å; F15-G216 WeakPolarHBondContact O-CA 3.47Å; F15-W217 HydrophobicContact CB-CD2 3.68Å; F15-W217 VanDerWaalsContact CB-CE2 3.43Å; F15-W217 HydrophobicContact CB-CE3 3.8Å; F15-W217 HydrophobicContact CB-CG 4.48Å; F15-W217 HydrophobicContact CB-CH2 3.62Å; F15-W217 HydrophobicContact CB-CZ2 3.4Å; F15-W217 VanDerWaalsContact CB-CZ2 3.4Å; F15-W217 HydrophobicContact CB-CZ3 3.79Å; F15-W217 HydrophobicContact CD1-CE3 4.27Å; F15-W217 HydrophobicContact CD1-CH2 4.24Å; F15-W217 AromaticContact CD1-CZ3 3.91Å; F15-W217 HydrophobicContact CD1-CZ3 3.91Å; F15-W217 HydrophobicContact CD2-CH2 4.26Å; F15-W217 HydrophobicContact CG-CE3 4.31Å; F15-W217 AromaticContact CG-CH2 3.79Å; F15-W217 HydrophobicContact CG-CH2 3.79Å; F15-W217 HydrophobicContact CG-CZ2 4.05Å; F15-W217 AromaticContact CG-CZ3 3.9Å; F15-W217 HydrophobicContact CG-CZ3 3.9Å; F15-W217 PolarHBondContact N-O 2.87Å; F15-W217 PolarHBondContact O-N 2.86Å |
| 16 | D | 98.7 | Very high | 90.6 | Very high | 5 Ų | 5 | 70.8 Ų | 70.8 | 3% | 0.027 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 111.6 | 175.3 | -167.3 | -36.5 | 0 | 0 | 0 | 107.8 | R18 Q19 K20 K218 | D16-R18 PolarHBondContact O-N 3.34Å; D16-R18 VanDerWaalsContact O-N 3.1Å; D16-R18 WeakPolarHBondContact OD1-CB 3.21Å; D16-R18 IonicContact OD1-CZ 3.12Å; D16-R18 PolarHBondContact OD1-N 3.49Å; D16-R18 IonicContact OD1-NE 3.56Å; D16-R18 PolarHBondContact OD1-NE 3.09Å; D16-R18 IonicContact OD1-NH2 3.57Å; D16-R18 IonicContact OD2-CZ 3.91Å; D16-R18 IonicContact OD2-NE 2.74Å; D16-R18 IonicContact OD2-NH2 3.99Å; D16-R18 PolarHBondContact OD2-NH2 3.12Å; D16-Q19 HydrophobicContact CB-CB 4.23Å; D16-Q19 HydrophobicContact CB-CG 4.03Å; D16-Q19 PolarHBondContact O-N 2.85Å; D16-K20 PolarHBondContact O-N 2.54Å; D16-K218 VanDerWaalsContact OD2-CE 3.3Å; D16-K218 WeakPolarHBondContact OD2-CE 3.01Å; D16-K218 IonicContact OD2-NZ 3.75Å; D16-K218 PolarHBondContact OD2-NZ 2.82Å |
| 17 | A | 98.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.9 | -30 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F15 Q19 K20 W21 I27 P180 V215 | F15-A17 HydrophobicContact CE1-CB 4.11Å; A17-Q19 VanDerWaalsContact C-N 3.28Å; A17-Q19 PolarHBondContact O-N 3.11Å; A17-K20 PolarHBondContact O-N 2.88Å; A17-W21 HydrophobicContact CB-CE3 3.86Å; A17-W21 HydrophobicContact CB-CZ3 3.77Å; A17-W21 PolarHBondContact O-N 3.18Å; A17-I27 HydrophobicContact CB-CD1 4.35Å; A17-I27 HydrophobicContact CB-CG2 3.66Å; A17-P180 HydrophobicContact CB-CG 3.81Å; A17-V215 WeakPolarHBondContact CB-O 3.46Å; A17-V215 PolarHBondContact N-O 2.78Å |
| 18 | R | 98.7 | Very high | 94.6 | Very high | 85 Ų | 85 | 59.3 Ų | 59.3 | 32% | 0.321 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67 | -31.1 | 177.5 | -55.6 | 170.4 | -64 | -178.9 | 5.7 | 112.3 | D16 I27 | D16-R18 PolarHBondContact O-N 3.34Å; D16-R18 VanDerWaalsContact O-N 3.1Å; D16-R18 WeakPolarHBondContact OD1-CB 3.21Å; D16-R18 IonicContact OD1-CZ 3.12Å; D16-R18 PolarHBondContact OD1-N 3.49Å; D16-R18 IonicContact OD1-NE 3.56Å; D16-R18 PolarHBondContact OD1-NE 3.09Å; D16-R18 IonicContact OD1-NH2 3.57Å; D16-R18 IonicContact OD2-CZ 3.91Å; D16-R18 IonicContact OD2-NE 2.74Å; D16-R18 IonicContact OD2-NH2 3.99Å; D16-R18 PolarHBondContact OD2-NH2 3.12Å; R18-I27 HydrophobicContact CB-CG2 4.39Å; R18-I27 HydrophobicContact CG-CB 4.11Å; R18-I27 HydrophobicContact CG-CG2 3.51Å |
| 19 | Q | 98.4 | Very high | 96.4 | Very high | 138 Ų | 138 | 60.5 Ų | 60.5 | 65% | 0.645 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -85.4 | -32.7 | 175.8 | -63.6 | -177.7 | -28.3 | 0 | 0 | 111.5 | D16 A17 | D16-Q19 HydrophobicContact CB-CB 4.23Å; D16-Q19 HydrophobicContact CB-CG 4.03Å; D16-Q19 PolarHBondContact O-N 2.85Å; A17-Q19 VanDerWaalsContact C-N 3.28Å; A17-Q19 PolarHBondContact O-N 3.11Å |
| 20 | K | 98.2 | Very high | 97.5 | Very high | 123 Ų | 123 | 59.8 Ų | 59.8 | 54% | 0.535 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.8 | -38.3 | 179.6 | -179.5 | 61.8 | 179.2 | 179.4 | 0 | 112.5 | F15 D16 A17 | F15-K20 HydrophobicContact CE2-CB 4.16Å; F15-K20 HydrophobicContact CE2-CD 4.29Å; F15-K20 HydrophobicContact CE2-CG 3.94Å; F15-K20 HydrophobicContact CZ-CB 3.95Å; F15-K20 HydrophobicContact CZ-CG 3.87Å; D16-K20 PolarHBondContact O-N 2.54Å; A17-K20 PolarHBondContact O-N 2.88Å |
| 21 | W | 98.5 | Very high | 97.9 | Very high | 29 Ų | 29 | 54.7 Ų | 54.7 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | trans | -127.7 | 69 | -179.7 | -59.2 | -76.2 | 0 | 0 | 0 | 110.5 | F15 A17 E23 C24 I27 I54 L175 | F15-W21 HydrophobicContact CE1-CH2 4.44Å; F15-W21 HydrophobicContact CE1-CZ3 4.04Å; F15-W21 AromaticContact CZ-CH2 3.69Å; F15-W21 HydrophobicContact CZ-CH2 3.69Å; F15-W21 AromaticContact CZ-CZ3 3.64Å; F15-W21 HydrophobicContact CZ-CZ3 3.64Å; A17-W21 HydrophobicContact CB-CE3 3.86Å; A17-W21 HydrophobicContact CB-CZ3 3.77Å; A17-W21 PolarHBondContact O-N 3.18Å; W21-E23 VanDerWaalsContact C-OE2 3.24Å; W21-E23 WeakPolarHBondContact CA-OE2 3.45Å; W21-E23 PolarHBondContact O-N 3.42Å; W21-E23 VanDerWaalsContact O-N 3.16Å; W21-C24 HydrophobicContact CB-CB 4.21Å; W21-C24 PolarHBondContact O-N 2.97Å; W21-I27 HydrophobicContact CB-CD1 3.84Å; W21-I27 HydrophobicContact CE3-CD1 4.18Å; W21-I54 HydrophobicContact CB-CG1 4.16Å; W21-I54 HydrophobicContact CD2-CD1 3.67Å; W21-I54 HydrophobicContact CD2-CG1 3.71Å; W21-I54 HydrophobicContact CD2-CG2 4.25Å; W21-I54 HydrophobicContact CE3-CD1 3.54Å; W21-I54 HydrophobicContact CE3-CG1 4.1Å; W21-I54 HydrophobicContact CG-CD1 4.2Å; W21-I54 HydrophobicContact CG-CG1 3.73Å; W21-I54 HydrophobicContact CH2-CD1 4.28Å; W21-I54 HydrophobicContact CZ2-CD1 4.4Å; W21-I54 HydrophobicContact CZ2-CG2 3.96Å; W21-I54 HydrophobicContact CZ3-CD1 3.87Å; W21-L175 WeakPolarHBondContact CH2-O 3.23Å | ||
| 22 | P | 98.2 | Very high | 98.1 | Very high | 88 Ų | 88 | 53.8 Ų | 53.8 | 57% | 0.571 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.6 | -176.3 | 29.7 | -37.2 | 0 | 0 | 0 | 113.3 | C24 | P22-C24 PolarHBondContact O-N 3.48Š|
| 23 | E | 98.1 | Very high | 98.2 | Very high | 65 Ų | 65 | 51.8 Ų | 51.8 | 30% | 0.304 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -14.7 | 172.9 | 72.2 | -82.4 | -158.8 | 0 | 0 | 113.2 | W21 K61 | W21-E23 VanDerWaalsContact C-OE2 3.24Å; W21-E23 WeakPolarHBondContact CA-OE2 3.45Å; W21-E23 PolarHBondContact O-N 3.42Å; W21-E23 VanDerWaalsContact O-N 3.16Å; E23-K61 WeakPolarHBondContact O-CD 3.17Å; E23-K61 WeakPolarHBondContact O-CE 3.49Å; E23-K61 PolarHBondContact O-NZ 3.48Å |
| 24 | C | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.02 | 23% | 0.233 | C | C | . | . | trans | -102.5 | 76.7 | -177 | -64.3 | 0 | 0 | 0 | 0 | 111.6 | W21 P22 S26 I27 C53 | W21-C24 HydrophobicContact CB-CB 4.21Å; W21-C24 PolarHBondContact O-N 2.97Å; P22-C24 PolarHBondContact O-N 3.48Å; C24-S26 PolarHBondContact O-N 3.4Å; C24-I27 HydrophobicContact CB-CD1 3.6Å; C24-I27 HydrophobicContact CB-CG1 3.97Å; C24-I27 WeakPolarHBondContact O-CB 3.41Å; C24-I27 VanDerWaalsContact O-CG1 3.29Å; C24-I27 WeakPolarHBondContact O-CG1 3.42Å; C24-I27 PolarHBondContact O-N 3.42Å; C24-C53 WeakPolarHBondContact CA-SG 3.38Å; C24-C53 HydrophobicContact CB-CB 3.76Å; C24-C53 WeakPolarHBondContact CB-SG 3.5Å; C24-C53 WeakPolarHBondContact SG-CB 3.5Å; C24-C53 CovalentContact SG-SG 2.03Å; C24-C53 PolarHBondContact SG-SG 3.37Å | ||
| 25 | D | 97.7 | Very high | 98.4 | Very high | 104 Ų | 104 | 43.8 Ų | 43.8 | 56% | 0.556 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -56.3 | -27.6 | -175.9 | -58.7 | -36.5 | 0 | 0 | 0 | 113.7 | I27 G28 | D25-I27 PolarHBondContact O-N 2.86Å; D25-I27 VanDerWaalsContact O-N 3.15Å; D25-G28 PolarHBondContact O-N 3.2Å; D25-G28 VanDerWaalsContact O-N 3.12Å |
| 26 | S | 98.5 | Very high | 98.4 | Very high | 18 Ų | 18 | 43.1 Ų | 43.1 | 13% | 0.126 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -55.6 | -30.5 | 177.4 | 62.3 | 0 | 0 | 0 | 0 | 112.7 | C24 G28 Q29 D50 | C24-S26 PolarHBondContact O-N 3.4Å; S26-G28 PolarHBondContact O-N 3.3Å; S26-Q29 WeakPolarHBondContact O-CB 3.46Å; S26-Q29 PolarHBondContact O-N 2.78Å; S26-D50 VanDerWaalsContact CB-OD1 3.23Å; S26-D50 WeakPolarHBondContact CB-OD1 3.3Å; S26-D50 PolarHBondContact OG-OD1 3.05Å |
| 27 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -62.2 | -36.5 | -177.7 | -57 | 170.6 | 0 | 0 | 0 | 110.4 | A17 R18 W21 C24 D25 D50 I54 P180 R213 | A17-I27 HydrophobicContact CB-CD1 4.35Å; A17-I27 HydrophobicContact CB-CG2 3.66Å; R18-I27 HydrophobicContact CB-CG2 4.39Å; R18-I27 HydrophobicContact CG-CB 4.11Å; R18-I27 HydrophobicContact CG-CG2 3.51Å; W21-I27 HydrophobicContact CB-CD1 3.84Å; W21-I27 HydrophobicContact CE3-CD1 4.18Å; C24-I27 HydrophobicContact CB-CD1 3.6Å; C24-I27 HydrophobicContact CB-CG1 3.97Å; C24-I27 WeakPolarHBondContact O-CB 3.41Å; C24-I27 VanDerWaalsContact O-CG1 3.29Å; C24-I27 WeakPolarHBondContact O-CG1 3.42Å; C24-I27 PolarHBondContact O-N 3.42Å; D25-I27 PolarHBondContact O-N 2.86Å; D25-I27 VanDerWaalsContact O-N 3.15Å; I27-D50 VanDerWaalsContact CA-OD1 3.31Å; I27-D50 WeakPolarHBondContact CA-OD1 3.25Å; I27-D50 HydrophobicContact CG1-CB 3.92Å; I27-D50 PolarHBondContact N-OD1 2.93Å; I27-I54 HydrophobicContact CD1-CD1 4.1Å; I27-I54 HydrophobicContact CD1-CG1 4.43Å; I27-P180 HydrophobicContact CG1-CG 4.4Å; I27-P180 HydrophobicContact CG2-CG 3.96Å; I27-R213 PolarHBondContact O-NH1 3.48Å; I27-R213 PolarHBondContact O-NH2 2.86Å |
| 28 | G | 98 | Very high | 98.4 | Very high | 36 Ų | 36 | 43.9 Ų | 43.9 | 37% | 0.371 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -85.4 | -8.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D25 S26 | D25-G28 PolarHBondContact O-N 3.2Å; D25-G28 VanDerWaalsContact O-N 3.12Å; S26-G28 PolarHBondContact O-N 3.3Å |
| 29 | Q | 98 | Very high | 98.4 | Very high | 88 Ų | 88 | 40.6 Ų | 40.6 | 41% | 0.411 | 22% | 0.219 | S | C | . | . | trans | -78.1 | 143.7 | -179.1 | -67 | 177.3 | 6.3 | 0 | 0 | 111.2 | S26 R213 | S26-Q29 WeakPolarHBondContact O-CB 3.46Å; S26-Q29 PolarHBondContact O-N 2.78Å; Q29-R213 PolarHBondContact O-NH2 3.25Å | ||
| 30 | I | 98.6 | Very high | 98.4 | Very high | 20 Ų | 20 | 34.2 Ų | 34.2 | 10% | 0.103 | 19% | 0.189 | C | C | . | . | trans | -119.1 | 132 | 175.2 | -66 | -60.6 | 0 | 0 | 0 | 108.1 | A229 P234 F241 | I30-A229 HydrophobicContact CD1-CB 3.57Å; I30-P234 HydrophobicContact CB-CG 4.18Å; I30-P234 HydrophobicContact CG2-CG 4.16Å; I30-F241 HydrophobicContact CD1-CD1 4.35Å; I30-F241 HydrophobicContact CD1-CD2 3.98Å; I30-F241 HydrophobicContact CD1-CE1 4.06Å; I30-F241 HydrophobicContact CD1-CE2 3.66Å; I30-F241 HydrophobicContact CD1-CG 4.31Å; I30-F241 HydrophobicContact CD1-CZ 3.69Å; I30-F241 HydrophobicContact CG1-CD2 4.13Å; I30-F241 HydrophobicContact CG1-CE2 3.65Å; I30-F241 HydrophobicContact CG1-CZ 4.07Å | ||
| 31 | R | 98.5 | Very high | 98.4 | Very high | 20 Ų | 20 | 28.4 Ų | 28.4 | 8% | 0.075 | 16% | 0.164 | C | C | . | . | trans | -101.6 | 173.8 | 177.1 | -57.4 | -175.3 | -176.8 | -166.3 | 4.2 | 111.7 | T42 E46 S49 T63 I64 T66 L103 S231 N233 | R31-T42 HydrophobicContact CB-CG2 3.99Å; R31-E46 VanDerWaalsContact CB-OE1 3.29Å; R31-E46 WeakPolarHBondContact CB-OE1 3.35Å; R31-E46 WeakPolarHBondContact CD-OE1 3.23Å; R31-E46 HydrophobicContact CG-CG 4.1Å; R31-E46 WeakPolarHBondContact CG-OE1 3.31Å; R31-S49 PolarHBondContact NH2-OG 3.46Å; R31-T63 VanDerWaalsContact NH2-CG2 3.28Å; R31-I64 PolarHBondContact NH1-O 3Å; R31-I64 PolarHBondContact NH2-O 2.97Å; R31-T66 PolarHBondContact NH1-OG1 2.79Å; R31-L103 HydrophobicContact CB-CD2 4.16Å; R31-L103 HydrophobicContact CG-CD2 3.98Å; R31-S231 CarbonylContact O-C 3.49Å; R31-S231 WeakPolarHBondContact O-CA 3.25Å; R31-N233 WeakPolarHBondContact O-CA 3.18Å; R31-N233 PolarHBondContact O-N 3.27Å | ||
| 32 | D | 98.7 | Very high | 98.4 | Very high | 18 Ų | 18 | 27.1 Ų | 27.1 | 10% | 0.096 | 16% | 0.159 | C | C | . | . | B | Isolated β-bridge | trans | -125.4 | 120.8 | 171.7 | -165.4 | -29.1 | 0 | 0 | 0 | 108.8 | S34 Y113 P117 C118 H120 S231 N233 | D32-S34 PolarHBondContact O-N 3Å; D32-S34 WeakPolarHBondContact OD1-CA 3.16Å; D32-S34 PolarHBondContact OD1-N 2.95Å; D32-Y113 WeakPolarHBondContact O-CE1 3.43Å; D32-P117 HydrophobicContact CB-CB 4.07Å; D32-P117 WeakPolarHBondContact OD2-CA 3.3Å; D32-P117 WeakPolarHBondContact OD2-CB 3.01Å; D32-C118 PolarHBondContact OD2-N 2.84Å; D32-H120 IonicContact OD1-CD2 3.95Å; D32-H120 IonicContact OD1-CE1 2.66Å; D32-H120 IonicContact OD1-NE2 3.45Å; D32-H120 PolarHBondContact OD1-NE2 3.46Å; D32-H120 IonicContact OD2-NE2 2.88Å; D32-S231 CarbonylContact C-O 3.4Å; D32-S231 WeakPolarHBondContact CA-O 3.45Å; D32-N233 HydrophobicContact CB-CB 3.92Å; D32-N233 WeakPolarHBondContact OD2-CB 3.25Å; D32-N233 PolarHBondContact OD2-ND2 2.89Å |
| 33 | Q | 98.6 | Very high | 98.4 | Very high | 13 Ų | 13 | 23 Ų | 23 | 6% | 0.061 | 13% | 0.133 | C | C | . | . | trans | -81.3 | -0 | 175.7 | 74.3 | -175.4 | 74.7 | 0 | 0 | 113.3 | C36 Y113 H210 S231 | Q33-C36 PolarHBondContact NE2-O 3.03Å; Q33-C36 WeakPolarHBondContact O-CB 3.23Å; Q33-C36 PolarHBondContact O-N 3.02Å; Q33-Y113 PolarHBondContact O-OH 3.11Å; Q33-H210 PolarHBondContact OE1-CE1 2.79Å; Q33-S231 PolarHBondContact N-O 2.65Å; Q33-S231 PolarHBondContact OE1-OG 3.06Å | ||
| 34 | S | 98.4 | Very high | 98.5 | Very high | 6 Ų | 6 | 19.9 Ų | 19.9 | 4% | 0.042 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | -159 | -171.9 | -164.5 | 0 | 0 | 0 | 0 | 111.9 | D32 C36 F115 P116 C118 H120 | D32-S34 PolarHBondContact O-N 3Å; D32-S34 WeakPolarHBondContact OD1-CA 3.16Å; D32-S34 PolarHBondContact OD1-N 2.95Å; S34-C36 PolarHBondContact O-N 2.74Å; S34-F115 VanDerWaalsContact CB-CB 3.49Å; S34-P116 WeakPolarHBondContact CB-O 3.39Å; S34-P116 PolarHBondContact OG-O 2.81Å; S34-C118 VanDerWaalsContact C-SG 3.58Å; S34-H120 PolarHBondContact O-CE1 2.88Å; S34-H120 VanDerWaalsContact O-CE1 3.26Å |
| 35 | N | 97.9 | Very high | 98.5 | Very high | 43 Ų | 43 | 19.8 Ų | 19.8 | 23% | 0.23 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 52.4 | 170.6 | -158.7 | 36.7 | 0 | 0 | 0 | 112 | C129 G131 L132 Q133 | N35-C129 HydrophobicContact CB-CB 3.98Å; N35-G131 PolarHBondContact ND2-N 3.21Å; N35-G131 VanDerWaalsContact ND2-N 3.16Å; N35-G131 PolarHBondContact ND2-O 2.87Å; N35-L132 PolarHBondContact ND2-N 2.86Å; N35-L132 WeakPolarHBondContact O-CA 3.49Å; N35-Q133 WeakPolarHBondContact O-CG 3.23Å; N35-Q133 PolarHBondContact O-N 2.97Å |
| 36 | C | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 15.1 Ų | 15.1 | 2% | 0.02 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -125.9 | 132.2 | 174.5 | 173.1 | 0 | 0 | 0 | 0 | 107.8 | Q33 S34 S38 C81 F115 Q133 | Q33-C36 PolarHBondContact NE2-O 3.03Å; Q33-C36 WeakPolarHBondContact O-CB 3.23Å; Q33-C36 PolarHBondContact O-N 3.02Å; S34-C36 PolarHBondContact O-N 2.74Å; C36-S38 PolarHBondContact O-N 3.44Å; C36-S38 WeakPolarHBondContact SG-CB 3.27Å; C36-C81 HydrophobicContact CB-CB 3.94Å; C36-C81 WeakPolarHBondContact CB-SG 3.18Å; C36-C81 WeakPolarHBondContact SG-CA 3.19Å; C36-C81 WeakPolarHBondContact SG-CB 3.18Å; C36-C81 CovalentContact SG-SG 2.04Å; C36-C81 PolarHBondContact SG-SG 3.29Å; C36-F115 HydrophobicContact CB-CD2 3.97Å; C36-F115 HydrophobicContact CB-CE2 3.94Å; C36-Q133 HydrophobicContact CB-CB 4Å; C36-Q133 HydrophobicContact CB-CG 4.39Å |
| 37 | G | 98.1 | Very high | 98.6 | Very high | 21 Ų | 21 | 14.2 Ų | 14.2 | 22% | 0.216 | 9% | 0.086 | C | C | . | . | trans | -71.2 | 39.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | C39 W40 C81 | G37-C39 VanDerWaalsContact C-N 3.34Å; G37-C39 PolarHBondContact O-N 3Å; G37-W40 VanDerWaalsContact O-CD1 3.28Å; G37-C81 WeakPolarHBondContact CA-O 3.36Å; G37-C81 PolarHBondContact N-O 3.36Å | ||
| 38 | S | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -92.9 | 25.5 | -177.9 | 65 | 0 | 0 | 0 | 0 | 113.9 | C36 W40 A41 T42 Y113 | C36-S38 PolarHBondContact O-N 3.44Å; C36-S38 WeakPolarHBondContact SG-CB 3.27Å; S38-W40 VanDerWaalsContact C-N 3.27Å; S38-W40 PolarHBondContact O-N 2.99Å; S38-A41 PolarHBondContact O-N 2.85Å; S38-A41 VanDerWaalsContact O-N 3.08Å; S38-T42 PolarHBondContact O-N 2.79Å; S38-T42 PolarHBondContact O-OG1 2.84Å; S38-Y113 PolarHBondContact OG-OH 3.19Å | ||
| 39 | C | 98.7 | Very high | 98.6 | Very high | 16 Ų | 16 | 12.6 Ų | 12.6 | 11% | 0.108 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -56.9 | -42.6 | 178 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | G37 A41 T42 A43 H210 A211 | G37-C39 VanDerWaalsContact C-N 3.34Å; G37-C39 PolarHBondContact O-N 3Å; C39-A41 PolarHBondContact O-N 3.18Å; C39-T42 PolarHBondContact O-N 2.87Å; C39-A43 PolarHBondContact O-N 2.8Å; C39-H210 WeakPolarHBondContact CB-CE1 3.26Å; C39-H210 VanDerWaalsContact CB-ND1 3.27Å; C39-H210 WeakPolarHBondContact CB-ND1 3.25Å; C39-H210 PolarHBondContact SG-ND1 3.04Å; C39-H210 VanDerWaalsContact SG-ND1 3.45Å; C39-A211 HydrophobicContact CB-CB 4.32Å |
| 40 | W | 98.7 | Very high | 98.7 | Very high | 5 Ų | 5 | 8.4 Ų | 8.4 | 2% | 0.019 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -54.8 | -33.2 | 173.9 | 69.6 | -91.8 | 0 | 0 | 0 | 113.9 | G37 S38 A44 L69 L70 C73 C77 G80 A84 P86 A89 E182 | G37-W40 VanDerWaalsContact O-CD1 3.28Å; S38-W40 VanDerWaalsContact C-N 3.27Å; S38-W40 PolarHBondContact O-N 2.99Å; W40-A44 VanDerWaalsContact O-CB 3.31Å; W40-A44 WeakPolarHBondContact O-CB 3.5Å; W40-L69 HydrophobicContact CH2-CG 4.25Å; W40-L69 HydrophobicContact CZ3-CD1 4.15Å; W40-L69 HydrophobicContact CZ3-CD2 4.28Å; W40-L69 HydrophobicContact CZ3-CG 3.89Å; W40-L70 HydrophobicContact CZ2-CD1 4.08Å; W40-C73 HydrophobicContact CH2-CB 4.19Å; W40-C77 HydrophobicContact CE3-CB 4.22Å; W40-C77 HydrophobicContact CH2-CB 3.53Å; W40-C77 HydrophobicContact CZ2-CB 4.32Å; W40-C77 HydrophobicContact CZ3-CB 3.48Å; W40-C77 VanDerWaalsContact CZ3-CB 3.48Å; W40-C77 WeakPolarHBondContact CZ3-SG 3.5Å; W40-G80 PolarHBondContact NE1-O 3.07Å; W40-A84 HydrophobicContact CD2-CB 3.43Å; W40-A84 VanDerWaalsContact CD2-CB 3.43Å; W40-A84 HydrophobicContact CE3-CB 4.01Å; W40-A84 HydrophobicContact CG-CB 3.66Å; W40-A84 HydrophobicContact CH2-CB 4.42Å; W40-A84 HydrophobicContact CZ2-CB 3.87Å; W40-A84 HydrophobicContact CZ3-CB 4.48Å; W40-P86 HydrophobicContact CB-CG 4.23Å; W40-A89 HydrophobicContact CE3-CB 3.89Å; W40-A89 HydrophobicContact CZ3-CB 3.96Å; W40-E182 WeakPolarHBondContact CA-OE1 3.18Å |
| 41 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -87.1 | -29.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S38 C39 A45 T66 L69 L70 | S38-A41 PolarHBondContact O-N 2.85Å; S38-A41 VanDerWaalsContact O-N 3.08Å; C39-A41 PolarHBondContact O-N 3.18Å; A41-A45 WeakPolarHBondContact O-CB 3.2Å; A41-A45 PolarHBondContact O-N 2.62Å; A41-T66 HydrophobicContact CB-CG2 4.02Å; A41-L69 HydrophobicContact CB-CB 4.43Å; A41-L69 HydrophobicContact CB-CD2 3.85Å; A41-L69 HydrophobicContact CB-CG 4.01Å; A41-L70 HydrophobicContact CB-CB 4.29Å |
| 42 | T | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 6.7 Ų | 6.7 | 1% | 0.012 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -75.2 | -51.8 | -176 | -49.8 | 0 | 0 | 0 | 0 | 110.2 | R31 S38 C39 A44 A45 E46 T66 | R31-T42 HydrophobicContact CB-CG2 3.99Å; S38-T42 PolarHBondContact O-N 2.79Å; S38-T42 PolarHBondContact O-OG1 2.84Å; C39-T42 PolarHBondContact O-N 2.87Å; T42-A44 PolarHBondContact O-N 3.41Å; T42-A45 PolarHBondContact O-N 2.92Å; T42-E46 WeakPolarHBondContact O-CB 3.48Å; T42-E46 VanDerWaalsContact O-CG 3.29Å; T42-E46 WeakPolarHBondContact O-CG 3.21Å; T42-E46 PolarHBondContact O-N 3.28Å; T42-T66 WeakPolarHBondContact OG1-CG2 3.19Å |
| 43 | A | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 5.9 Ų | 5.9 | 2% | 0.017 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -64.1 | -39.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | C39 S47 E182 A211 | C39-A43 PolarHBondContact O-N 2.8Å; A43-S47 VanDerWaalsContact O-CB 3.31Å; A43-S47 WeakPolarHBondContact O-CB 3.15Å; A43-S47 PolarHBondContact O-N 3.03Å; A43-S47 PolarHBondContact O-OG 3.02Å; A43-E182 HydrophobicContact CB-CB 4.39Å; A43-E182 HydrophobicContact CB-CG 3.78Å; A43-E182 WeakPolarHBondContact CB-OE1 3.34Å; A43-A211 HydrophobicContact CB-CB 4.23Å |
| 44 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -58.2 | -55.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W40 T42 E46 S47 I48 L69 A89 E182 | W40-A44 VanDerWaalsContact O-CB 3.31Å; W40-A44 WeakPolarHBondContact O-CB 3.5Å; T42-A44 PolarHBondContact O-N 3.41Å; A44-E46 VanDerWaalsContact C-N 3.34Å; A44-E46 PolarHBondContact O-N 3.44Å; A44-S47 PolarHBondContact O-N 3.2Å; A44-I48 WeakPolarHBondContact O-CB 3.44Å; A44-I48 WeakPolarHBondContact O-CD1 3.14Å; A44-I48 WeakPolarHBondContact O-CG1 3.32Å; A44-I48 PolarHBondContact O-N 3.44Å; A44-L69 HydrophobicContact CB-CD2 4.06Å; A44-A89 HydrophobicContact CB-CB 3.63Å; A44-E182 PolarHBondContact N-OE1 2.98Å |
| 45 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.7 | -37.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A41 T42 S49 I64 | A41-A45 WeakPolarHBondContact O-CB 3.2Å; A41-A45 PolarHBondContact O-N 2.62Å; T42-A45 PolarHBondContact O-N 2.92Å; A45-S49 WeakPolarHBondContact O-CB 3.42Å; A45-S49 PolarHBondContact O-N 3.48Å; A45-S49 PolarHBondContact O-OG 3.29Å; A45-I64 HydrophobicContact CB-CB 4.36Å; A45-I64 HydrophobicContact CB-CG2 4.04Å |
| 46 | E | 98.9 | Very high | 98.5 | Very high | 6 Ų | 6 | 7.7 Ų | 7.7 | 3% | 0.028 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -62.3 | -51.1 | 172.8 | -72.1 | 177.9 | -176.4 | 0 | 0 | 111.4 | R31 T42 A44 I48 S49 D50 R213 | R31-E46 VanDerWaalsContact CB-OE1 3.29Å; R31-E46 WeakPolarHBondContact CB-OE1 3.35Å; R31-E46 WeakPolarHBondContact CD-OE1 3.23Å; R31-E46 HydrophobicContact CG-CG 4.1Å; R31-E46 WeakPolarHBondContact CG-OE1 3.31Å; T42-E46 WeakPolarHBondContact O-CB 3.48Å; T42-E46 VanDerWaalsContact O-CG 3.29Å; T42-E46 WeakPolarHBondContact O-CG 3.21Å; T42-E46 PolarHBondContact O-N 3.28Å; A44-E46 VanDerWaalsContact C-N 3.34Å; A44-E46 PolarHBondContact O-N 3.44Å; E46-I48 VanDerWaalsContact C-N 3.3Å; E46-I48 PolarHBondContact O-N 3.29Å; E46-S49 VanDerWaalsContact O-CB 3.31Å; E46-S49 WeakPolarHBondContact O-CB 3.21Å; E46-S49 PolarHBondContact O-N 3.34Å; E46-S49 VanDerWaalsContact O-N 3.09Å; E46-D50 PolarHBondContact O-N 3.43Å; E46-R213 IonicContact OE2-CZ 3.73Å; E46-R213 IonicContact OE2-NE 2.66Å; E46-R213 PolarHBondContact OE2-NE 3.24Å; E46-R213 IonicContact OE2-NH2 3.16Å; E46-R213 PolarHBondContact OE2-NH2 3.12Å |
| 47 | S | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62 | -39.9 | -179.2 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | A43 A44 D50 R51 F181 E182 R213 | A43-S47 VanDerWaalsContact O-CB 3.31Å; A43-S47 WeakPolarHBondContact O-CB 3.15Å; A43-S47 PolarHBondContact O-N 3.03Å; A43-S47 PolarHBondContact O-OG 3.02Å; A44-S47 PolarHBondContact O-N 3.2Å; S47-D50 PolarHBondContact O-N 3.06Å; S47-R51 WeakPolarHBondContact O-CB 3.4Å; S47-R51 VanDerWaalsContact O-CG 3.24Å; S47-R51 WeakPolarHBondContact O-CG 3.32Å; S47-R51 PolarHBondContact O-N 2.84Å; S47-F181 VanDerWaalsContact OG-C 3.29Å; S47-E182 PolarHBondContact OG-N 3.05Å; S47-R213 WeakPolarHBondContact OG-CD 3.09Å; S47-R213 WeakPolarHBondContact OG-CG 3.45Å |
| 48 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.9 | -43.3 | 175.1 | -66.6 | 164.2 | 0 | 0 | 0 | 110.6 | A44 E46 D50 R51 I52 I64 W90 W93 L98 | A44-I48 WeakPolarHBondContact O-CB 3.44Å; A44-I48 WeakPolarHBondContact O-CD1 3.14Å; A44-I48 WeakPolarHBondContact O-CG1 3.32Å; A44-I48 PolarHBondContact O-N 3.44Å; E46-I48 VanDerWaalsContact C-N 3.3Å; E46-I48 PolarHBondContact O-N 3.29Å; I48-D50 VanDerWaalsContact C-N 3.3Å; I48-D50 PolarHBondContact O-N 3.06Å; I48-R51 PolarHBondContact O-N 2.82Å; I48-I52 HydrophobicContact CG2-CD1 3.72Å; I48-I52 HydrophobicContact CG2-CG1 4.27Å; I48-I52 VanDerWaalsContact O-CG1 3.23Å; I48-I52 WeakPolarHBondContact O-CG1 3.3Å; I48-I52 PolarHBondContact O-N 3Å; I48-I64 HydrophobicContact CB-CG1 4.42Å; I48-I64 HydrophobicContact CG2-CG1 3.87Å; I48-W90 HydrophobicContact CD1-CE3 4.43Å; I48-W90 HydrophobicContact CG1-CE3 4.01Å; I48-W90 HydrophobicContact CG1-CH2 4Å; I48-W90 HydrophobicContact CG1-CZ3 3.66Å; I48-W93 HydrophobicContact CD1-CB 3.89Å; I48-W93 HydrophobicContact CD1-CD2 3.68Å; I48-W93 HydrophobicContact CD1-CE3 3.87Å; I48-W93 HydrophobicContact CD1-CG 3.68Å; I48-W93 HydrophobicContact CG1-CD2 3.94Å; I48-W93 HydrophobicContact CG1-CE3 3.82Å; I48-W93 HydrophobicContact CG1-CG 4.46Å; I48-W93 HydrophobicContact CG1-CH2 4.43Å; I48-W93 HydrophobicContact CG1-CZ3 4.08Å; I48-W93 HydrophobicContact CG2-CD2 3.91Å; I48-W93 VanDerWaalsContact CG2-CE2 3.43Å; I48-W93 HydrophobicContact CG2-CE3 4.38Å; I48-W93 HydrophobicContact CG2-CG 4.46Å; I48-W93 HydrophobicContact CG2-CH2 3.97Å; I48-W93 HydrophobicContact CG2-CZ2 3.48Å; I48-W93 VanDerWaalsContact CG2-CZ2 3.48Å; I48-W93 HydrophobicContact CG2-CZ3 4.4Å; I48-L98 HydrophobicContact CD1-CD1 3.96Å |
| 49 | S | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.6 | -46.7 | 177 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | R31 A45 E46 C53 P62 I64 | R31-S49 PolarHBondContact NH2-OG 3.46Å; A45-S49 WeakPolarHBondContact O-CB 3.42Å; A45-S49 PolarHBondContact O-N 3.48Å; A45-S49 PolarHBondContact O-OG 3.29Å; E46-S49 VanDerWaalsContact O-CB 3.31Å; E46-S49 WeakPolarHBondContact O-CB 3.21Å; E46-S49 PolarHBondContact O-N 3.34Å; E46-S49 VanDerWaalsContact O-N 3.09Å; S49-C53 PolarHBondContact O-N 3.07Å; S49-P62 VanDerWaalsContact CB-O 3.31Å; S49-P62 WeakPolarHBondContact CB-O 3.49Å; S49-I64 WeakPolarHBondContact OG-CB 3.43Å; S49-I64 PolarHBondContact OG-N 3.16Å |
| 50 | D | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.9 | -49.6 | 177.8 | -61.9 | -18.9 | 0 | 0 | 0 | 111.6 | S26 I27 E46 S47 I48 I52 C53 I54 P180 R213 | S26-D50 VanDerWaalsContact CB-OD1 3.23Å; S26-D50 WeakPolarHBondContact CB-OD1 3.3Å; S26-D50 PolarHBondContact OG-OD1 3.05Å; I27-D50 VanDerWaalsContact CA-OD1 3.31Å; I27-D50 WeakPolarHBondContact CA-OD1 3.25Å; I27-D50 HydrophobicContact CG1-CB 3.92Å; I27-D50 PolarHBondContact N-OD1 2.93Å; E46-D50 PolarHBondContact O-N 3.43Å; S47-D50 PolarHBondContact O-N 3.06Å; I48-D50 VanDerWaalsContact C-N 3.3Å; I48-D50 PolarHBondContact O-N 3.06Å; D50-I52 VanDerWaalsContact C-N 3.32Å; D50-I52 PolarHBondContact O-N 3.32Å; D50-C53 WeakPolarHBondContact O-CB 3.37Å; D50-C53 PolarHBondContact O-N 3.05Å; D50-C53 VanDerWaalsContact O-N 3.12Å; D50-I54 VanDerWaalsContact O-CG1 3.29Å; D50-I54 WeakPolarHBondContact O-CG1 3.19Å; D50-I54 PolarHBondContact O-N 2.94Å; D50-P180 HydrophobicContact CB-CB 4.3Å; D50-P180 HydrophobicContact CB-CG 4.08Å; D50-P180 WeakPolarHBondContact OD2-CB 3.45Å; D50-P180 WeakPolarHBondContact OD2-CG 3.38Å; D50-R213 IonicContact OD1-NH1 2.62Å; D50-R213 WeakPolarHBondContact OD2-CD 3.42Å; D50-R213 IonicContact OD2-CZ 2.85Å; D50-R213 IonicContact OD2-NE 3.03Å; D50-R213 IonicContact OD2-NH1 2.79Å; D50-R213 PolarHBondContact OD2-NH1 2.99Å |
| 51 | R | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 2% | 0.019 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.2 | -33.8 | -176.4 | -72.2 | -171.3 | 172.7 | -136.5 | -12.7 | 112.9 | S47 I48 A55 Y162 E174 Y178 G179 P180 G260 | S47-R51 WeakPolarHBondContact O-CB 3.4Å; S47-R51 VanDerWaalsContact O-CG 3.24Å; S47-R51 WeakPolarHBondContact O-CG 3.32Å; S47-R51 PolarHBondContact O-N 2.84Å; I48-R51 PolarHBondContact O-N 2.82Å; R51-A55 WeakPolarHBondContact O-CB 3.3Å; R51-A55 PolarHBondContact O-N 2.95Å; R51-Y162 PolarHBondContact NH1-OH 3.09Å; R51-E174 IonicContact CZ-OE1 3.82Å; R51-E174 VanDerWaalsContact CZ-OE1 3.29Å; R51-E174 IonicContact NH1-OE1 2.89Å; R51-E174 PolarHBondContact NH1-OE1 3.29Å; R51-E174 IonicContact NH2-OE1 3.96Å; R51-E174 PolarHBondContact NH2-OE1 2.76Å; R51-Y178 WeakPolarHBondContact CG-O 3.4Å; R51-G179 PolarHBondContact NH2-O 3.05Å; R51-P180 PolarHBondContact NE-O 3.38Å; R51-G260 VanDerWaalsContact CD-O 3.24Å; R51-G260 WeakPolarHBondContact CD-O 3.39Å; R51-G260 PolarHBondContact NH1-O 2.82Å |
| 52 | I | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.7 | -46 | 172.8 | -66 | 165.1 | 0 | 0 | 0 | 110 | I48 D50 T56 Q60 P62 I64 W93 Y156 F262 | I48-I52 HydrophobicContact CG2-CD1 3.72Å; I48-I52 HydrophobicContact CG2-CG1 4.27Å; I48-I52 VanDerWaalsContact O-CG1 3.23Å; I48-I52 WeakPolarHBondContact O-CG1 3.3Å; I48-I52 PolarHBondContact O-N 3Å; D50-I52 VanDerWaalsContact C-N 3.32Å; D50-I52 PolarHBondContact O-N 3.32Å; I52-T56 HydrophobicContact CG2-CG2 4.5Å; I52-T56 WeakPolarHBondContact O-CB 3.33Å; I52-T56 VanDerWaalsContact O-CG2 3.26Å; I52-T56 WeakPolarHBondContact O-CG2 3.43Å; I52-T56 PolarHBondContact O-N 3.49Å; I52-T56 PolarHBondContact O-OG1 2.96Å; I52-Q60 HydrophobicContact CG2-CB 3.89Å; I52-P62 HydrophobicContact CB-CG 3.97Å; I52-P62 HydrophobicContact CD1-CG 3.71Å; I52-P62 HydrophobicContact CG1-CG 4.44Å; I52-P62 HydrophobicContact CG2-CG 3.65Å; I52-I64 HydrophobicContact CD1-CD1 3.73Å; I52-I64 HydrophobicContact CD1-CG1 3.96Å; I52-W93 HydrophobicContact CG1-CZ2 4.45Å; I52-Y156 HydrophobicContact CD1-CD1 3.92Å; I52-Y156 HydrophobicContact CD1-CG 4.21Å; I52-Y156 HydrophobicContact CG2-CD1 4.27Å; I52-Y156 HydrophobicContact CG2-CE1 4.47Å; I52-F262 HydrophobicContact CB-CD2 4.45Å; I52-F262 HydrophobicContact CB-CG 4.41Å; I52-F262 HydrophobicContact CD1-CD2 4.25Å; I52-F262 HydrophobicContact CD1-CE2 4.42Å; I52-F262 HydrophobicContact CG1-CB 4.17Å; I52-F262 HydrophobicContact CG1-CD2 3.58Å; I52-F262 HydrophobicContact CG1-CE2 4.06Å; I52-F262 HydrophobicContact CG1-CG 3.87Å; I52-F262 HydrophobicContact CG2-CD1 4.31Å; I52-F262 HydrophobicContact CG2-CD2 4.35Å; I52-F262 HydrophobicContact CG2-CE1 4.2Å; I52-F262 HydrophobicContact CG2-CE2 4.23Å; I52-F262 HydrophobicContact CG2-CG 4.38Å; I52-F262 HydrophobicContact CG2-CZ 4.15Å |
| 53 | C | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.2 | -46.3 | 177.6 | -179.9 | 0 | 0 | 0 | 0 | 112.5 | C24 S49 D50 T56 K57 G58 Q60 | C24-C53 WeakPolarHBondContact CA-SG 3.38Å; C24-C53 HydrophobicContact CB-CB 3.76Å; C24-C53 WeakPolarHBondContact CB-SG 3.5Å; C24-C53 WeakPolarHBondContact SG-CB 3.5Å; C24-C53 CovalentContact SG-SG 2.03Å; C24-C53 PolarHBondContact SG-SG 3.37Å; S49-C53 PolarHBondContact O-N 3.07Å; D50-C53 WeakPolarHBondContact O-CB 3.37Å; D50-C53 PolarHBondContact O-N 3.05Å; D50-C53 VanDerWaalsContact O-N 3.12Å; C53-T56 CarbonylContact O-C 3.44Å; C53-T56 PolarHBondContact O-N 3.19Å; C53-T56 PolarHBondContact O-OG1 2.84Å; C53-K57 PolarHBondContact O-N 2.92Å; C53-G58 PolarHBondContact O-N 3.05Å; C53-Q60 WeakPolarHBondContact CA-O 3.45Å; C53-Q60 WeakPolarHBondContact CB-O 3.28Å |
| 54 | I | 98.2 | Very high | 98.2 | Very high | 17 Ų | 17 | 33.9 Ų | 33.9 | 9% | 0.087 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.3 | -50.5 | 179.2 | -68.6 | 168.5 | 0 | 0 | 0 | 110.9 | W21 I27 D50 T56 K57 | W21-I54 HydrophobicContact CB-CG1 4.16Å; W21-I54 HydrophobicContact CD2-CD1 3.67Å; W21-I54 HydrophobicContact CD2-CG1 3.71Å; W21-I54 HydrophobicContact CD2-CG2 4.25Å; W21-I54 HydrophobicContact CE3-CD1 3.54Å; W21-I54 HydrophobicContact CE3-CG1 4.1Å; W21-I54 HydrophobicContact CG-CD1 4.2Å; W21-I54 HydrophobicContact CG-CG1 3.73Å; W21-I54 HydrophobicContact CH2-CD1 4.28Å; W21-I54 HydrophobicContact CZ2-CD1 4.4Å; W21-I54 HydrophobicContact CZ2-CG2 3.96Å; W21-I54 HydrophobicContact CZ3-CD1 3.87Å; I27-I54 HydrophobicContact CD1-CD1 4.1Å; I27-I54 HydrophobicContact CD1-CG1 4.43Å; D50-I54 VanDerWaalsContact O-CG1 3.29Å; D50-I54 WeakPolarHBondContact O-CG1 3.19Å; D50-I54 PolarHBondContact O-N 2.94Å; I54-T56 PolarHBondContact O-N 2.81Å; I54-K57 PolarHBondContact O-N 3.12Å; I54-K57 VanDerWaalsContact O-N 3.08Å |
| 55 | A | 97.5 | Very high | 98.2 | Very high | 64 Ų | 64 | 33.9 Ų | 33.9 | 53% | 0.529 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.5 | -32 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R51 F262 | R51-A55 WeakPolarHBondContact O-CB 3.3Å; R51-A55 PolarHBondContact O-N 2.95Å; A55-F262 HydrophobicContact CB-CB 4.14Å; A55-F262 HydrophobicContact CB-CD1 4.36Å |
| 56 | T | 97.3 | Very high | 98.2 | Very high | 19 Ų | 19 | 34.2 Ų | 34.2 | 12% | 0.117 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 5.7 | 179.2 | 65.9 | 0 | 0 | 0 | 0 | 113.7 | I52 C53 I54 G58 K59 Q60 F262 | I52-T56 HydrophobicContact CG2-CG2 4.5Å; I52-T56 WeakPolarHBondContact O-CB 3.33Å; I52-T56 VanDerWaalsContact O-CG2 3.26Å; I52-T56 WeakPolarHBondContact O-CG2 3.43Å; I52-T56 PolarHBondContact O-N 3.49Å; I52-T56 PolarHBondContact O-OG1 2.96Å; C53-T56 CarbonylContact O-C 3.44Å; C53-T56 PolarHBondContact O-N 3.19Å; C53-T56 PolarHBondContact O-OG1 2.84Å; I54-T56 PolarHBondContact O-N 2.81Å; T56-G58 VanDerWaalsContact C-N 3.28Å; T56-G58 PolarHBondContact O-N 3.05Å; T56-K59 WeakPolarHBondContact O-CB 3.35Å; T56-K59 VanDerWaalsContact O-CG 3.27Å; T56-K59 WeakPolarHBondContact O-CG 3.37Å; T56-K59 PolarHBondContact O-N 3.1Å; T56-K59 VanDerWaalsContact O-N 3.16Å; T56-Q60 HydrophobicContact CG2-CB 4.13Å; T56-Q60 HydrophobicContact CG2-CG 4.06Å; T56-Q60 PolarHBondContact OG1-N 2.93Å; T56-Q60 PolarHBondContact OG1-O 2.79Å; T56-F262 HydrophobicContact CG2-CD1 3.83Å; T56-F262 HydrophobicContact CG2-CE1 3.53Å |
| 57 | K | 96.8 | Very high | 98.2 | Very high | 177 Ų | 177 | 34.2 Ų | 34.2 | 77% | 0.77 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 46.1 | -177.5 | -55.5 | 179.9 | -178 | 179.2 | 0 | 112.1 | C53 I54 K59 | C53-K57 PolarHBondContact O-N 2.92Å; I54-K57 PolarHBondContact O-N 3.12Å; I54-K57 VanDerWaalsContact O-N 3.08Å; K57-K59 VanDerWaalsContact C-N 3.29Å; K57-K59 PolarHBondContact O-N 3.15Å |
| 58 | G | 97.3 | Very high | 98.2 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 16% | 0.155 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | -1.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116 | C53 T56 Q60 K61 | C53-G58 PolarHBondContact O-N 3.05Å; T56-G58 VanDerWaalsContact C-N 3.28Å; T56-G58 PolarHBondContact O-N 3.05Å; G58-Q60 VanDerWaalsContact C-N 3.35Å; G58-K61 WeakPolarHBondContact O-CE 3.23Å |
| 59 | K | 97.4 | Very high | 98.2 | Very high | 189 Ų | 189 | 34.2 Ų | 34.2 | 82% | 0.822 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -65.9 | -36.3 | 178.3 | -68.8 | 178.6 | 179.4 | -176 | 0 | 112.6 | T56 K57 | T56-K59 WeakPolarHBondContact O-CB 3.35Å; T56-K59 VanDerWaalsContact O-CG 3.27Å; T56-K59 WeakPolarHBondContact O-CG 3.37Å; T56-K59 PolarHBondContact O-N 3.1Å; T56-K59 VanDerWaalsContact O-N 3.16Å; K57-K59 VanDerWaalsContact C-N 3.29Å; K57-K59 PolarHBondContact O-N 3.15Å |
| 60 | Q | 97.3 | Very high | 98.1 | Very high | 69 Ų | 69 | 34.3 Ų | 34.3 | 32% | 0.322 | 17% | 0.174 | S | C | . | . | trans | -118.3 | 125 | 176.7 | -58.9 | -171.9 | 46.1 | 0 | 0 | 109.3 | I52 C53 T56 G58 P62 | I52-Q60 HydrophobicContact CG2-CB 3.89Å; C53-Q60 WeakPolarHBondContact CA-O 3.45Å; C53-Q60 WeakPolarHBondContact CB-O 3.28Å; T56-Q60 HydrophobicContact CG2-CB 4.13Å; T56-Q60 HydrophobicContact CG2-CG 4.06Å; T56-Q60 PolarHBondContact OG1-N 2.93Å; T56-Q60 PolarHBondContact OG1-O 2.79Å; G58-Q60 VanDerWaalsContact C-N 3.35Å; Q60-P62 WeakPolarHBondContact O-CD 3.49Å | ||
| 61 | K | 97.8 | Very high | 98.1 | Very high | 111 Ų | 111 | 34.9 Ų | 34.9 | 48% | 0.483 | 18% | 0.179 | S | C | . | . | trans | -125.3 | 54.5 | 179.4 | -52.9 | -171.9 | -171.3 | -174.7 | 0 | 111.7 | E23 G58 | E23-K61 WeakPolarHBondContact O-CD 3.17Å; E23-K61 WeakPolarHBondContact O-CE 3.49Å; E23-K61 PolarHBondContact O-NZ 3.48Å; G58-K61 WeakPolarHBondContact O-CE 3.23Å | ||
| 62 | P | 97.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 5% | 0.045 | 18% | 0.184 | C | C | . | . | trans | -68 | 144.8 | -177.6 | 31.7 | -35.8 | 0 | 0 | 0 | 110.8 | S49 I52 Q60 I64 T100 Y156 | S49-P62 VanDerWaalsContact CB-O 3.31Å; S49-P62 WeakPolarHBondContact CB-O 3.49Å; I52-P62 HydrophobicContact CB-CG 3.97Å; I52-P62 HydrophobicContact CD1-CG 3.71Å; I52-P62 HydrophobicContact CG1-CG 4.44Å; I52-P62 HydrophobicContact CG2-CG 3.65Å; Q60-P62 WeakPolarHBondContact O-CD 3.49Å; P62-I64 HydrophobicContact CB-CD1 4.05Å; P62-I64 HydrophobicContact CG-CD1 4.13Å; P62-T100 HydrophobicContact CB-CG2 3.97Å; P62-Y156 HydrophobicContact CB-CD1 4.22Å; P62-Y156 HydrophobicContact CB-CD2 4.36Å; P62-Y156 HydrophobicContact CB-CE1 3.74Å; P62-Y156 HydrophobicContact CB-CE2 3.96Å; P62-Y156 HydrophobicContact CG-CD1 3.87Å; P62-Y156 HydrophobicContact CG-CE1 3.62Å; P62-Y156 HydrophobicContact CG-CG 4.46Å | ||
| 63 | T | 98.4 | Very high | 98.1 | Very high | 31 Ų | 31 | 35.8 Ų | 35.8 | 19% | 0.19 | 19% | 0.185 | C | C | . | . | trans | -93.3 | 103.4 | 160.4 | -56 | 0 | 0 | 0 | 0 | 107.3 | R31 T100 G101 | R31-T63 VanDerWaalsContact NH2-CG2 3.28Å; T63-T100 CarbonylContact O-C 3.55Å; T63-T100 WeakPolarHBondContact O-CA 3.15Å; T63-T100 WeakPolarHBondContact O-CB 3.29Å; T63-G101 WeakPolarHBondContact CG2-O 3.5Å; T63-G101 PolarHBondContact O-N 2.98Å | ||
| 64 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -70.7 | 136.1 | -177.9 | -61.6 | -62.4 | 0 | 0 | 0 | 110.7 | R31 A45 I48 S49 I52 P62 T66 L98 Y156 | R31-I64 PolarHBondContact NH1-O 3Å; R31-I64 PolarHBondContact NH2-O 2.97Å; A45-I64 HydrophobicContact CB-CB 4.36Å; A45-I64 HydrophobicContact CB-CG2 4.04Å; I48-I64 HydrophobicContact CB-CG1 4.42Å; I48-I64 HydrophobicContact CG2-CG1 3.87Å; S49-I64 WeakPolarHBondContact OG-CB 3.43Å; S49-I64 PolarHBondContact OG-N 3.16Å; I52-I64 HydrophobicContact CD1-CD1 3.73Å; I52-I64 HydrophobicContact CD1-CG1 3.96Å; P62-I64 HydrophobicContact CB-CD1 4.05Å; P62-I64 HydrophobicContact CG-CD1 4.13Å; I64-T66 PolarHBondContact O-N 2.95Å; I64-L98 HydrophobicContact CG2-CB 3.65Å; I64-L98 HydrophobicContact CG2-CD1 3.64Å; I64-L98 HydrophobicContact CG2-CG 4.28Å; I64-Y156 HydrophobicContact CD1-CD2 4.1Å; I64-Y156 HydrophobicContact CD1-CG 3.97Å |
| 65 | S | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -72.6 | 112.8 | -175.9 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | A67 D68 V99 K111 | S65-A67 PolarHBondContact O-N 3.47Å; S65-A67 PolarHBondContact OG-N 3.21Å; S65-D68 PolarHBondContact OG-N 3.3Å; S65-V99 VanDerWaalsContact CB-O 3.28Å; S65-V99 WeakPolarHBondContact CB-O 3.46Å; S65-V99 PolarHBondContact N-O 3.42Å; S65-K111 WeakPolarHBondContact CB-O 3.36Å; S65-K111 PolarHBondContact OG-O 2.65Å | ||
| 66 | T | 98.7 | Very high | 97.8 | Very high | 6 Ų | 6 | 44 Ų | 44 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61 | -34.7 | 164.6 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | R31 A41 T42 I64 L70 Y113 | R31-T66 PolarHBondContact NH1-OG1 2.79Å; A41-T66 HydrophobicContact CB-CG2 4.02Å; T42-T66 WeakPolarHBondContact OG1-CG2 3.19Å; I64-T66 PolarHBondContact O-N 2.95Å; T66-L70 WeakPolarHBondContact O-CB 3.4Å; T66-L70 PolarHBondContact O-N 3.06Å; T66-Y113 HydrophobicContact CG2-CD2 3.98Å; T66-Y113 HydrophobicContact CG2-CE2 3.63Å |
| 67 | A | 98.5 | Very high | 97.9 | Very high | 7 Ų | 7 | 43 Ų | 43 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.7 | -37.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S65 A71 Y113 | S65-A67 PolarHBondContact O-N 3.47Å; S65-A67 PolarHBondContact OG-N 3.21Å; A67-A71 WeakPolarHBondContact O-CB 3.48Å; A67-A71 PolarHBondContact O-N 2.65Å; A67-Y113 HydrophobicContact CB-CD2 4.38Å |
| 68 | D | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.9 | -51.3 | 175.4 | -165.7 | 41.4 | 0 | 0 | 0 | 110.1 | S65 A71 C72 L98 V99 K111 Y151 K155 | S65-D68 PolarHBondContact OG-N 3.3Å; D68-A71 PolarHBondContact O-N 2.73Å; D68-C72 WeakPolarHBondContact O-CB 3.12Å; D68-C72 PolarHBondContact O-N 2.79Å; D68-L98 HydrophobicContact CB-CD2 4.47Å; D68-V99 HydrophobicContact CB-CG2 3.74Å; D68-V99 PolarHBondContact OD2-N 3.33Å; D68-K111 HydrophobicContact CB-CD 4.31Å; D68-Y151 VanDerWaalsContact CG-OH 3.31Å; D68-Y151 VanDerWaalsContact OD1-CE2 3.25Å; D68-Y151 WeakPolarHBondContact OD1-CE2 3.46Å; D68-Y151 PolarHBondContact OD1-OH 2.04Å; D68-Y151 PolarHBondContact OD2-OH 3.47Å; D68-K155 IonicContact OD2-NZ 2.87Å; D68-K155 PolarHBondContact OD2-NZ 2.83Å |
| 69 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60 | -50.3 | 178.1 | 179.7 | 59.6 | 0 | 0 | 0 | 112.1 | W40 A41 A44 A71 C73 A89 Y92 L98 | W40-L69 HydrophobicContact CH2-CG 4.25Å; W40-L69 HydrophobicContact CZ3-CD1 4.15Å; W40-L69 HydrophobicContact CZ3-CD2 4.28Å; W40-L69 HydrophobicContact CZ3-CG 3.89Å; A41-L69 HydrophobicContact CB-CB 4.43Å; A41-L69 HydrophobicContact CB-CD2 3.85Å; A41-L69 HydrophobicContact CB-CG 4.01Å; A44-L69 HydrophobicContact CB-CD2 4.06Å; L69-A71 PolarHBondContact O-N 3.48Å; L69-C73 HydrophobicContact CD1-CB 4.19Å; L69-C73 VanDerWaalsContact O-CB 3.25Å; L69-C73 WeakPolarHBondContact O-CB 3.47Å; L69-C73 PolarHBondContact O-N 3.46Å; L69-A89 HydrophobicContact CD1-CB 4.14Å; L69-A89 HydrophobicContact CD2-CB 3.73Å; L69-A89 HydrophobicContact CG-CB 4.4Å; L69-Y92 HydrophobicContact CD1-CD1 3.62Å; L69-Y92 HydrophobicContact CD1-CE1 4.37Å; L69-Y92 HydrophobicContact CD1-CG 4.12Å; L69-L98 HydrophobicContact CB-CD1 4.3Å; L69-L98 HydrophobicContact CB-CD2 3.73Å; L69-L98 HydrophobicContact CD1-CD2 4.15Å; L69-L98 HydrophobicContact CD2-CD1 4.36Å; L69-L98 HydrophobicContact CG-CD2 4.48Å |
| 70 | L | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.4 | -47 | 179.6 | 171.8 | 60.7 | 0 | 0 | 0 | 112.4 | W40 A41 T66 G80 Y113 F115 T135 P136 | W40-L70 HydrophobicContact CZ2-CD1 4.08Å; A41-L70 HydrophobicContact CB-CB 4.29Å; T66-L70 WeakPolarHBondContact O-CB 3.4Å; T66-L70 PolarHBondContact O-N 3.06Å; L70-G80 VanDerWaalsContact CD1-C 3.43Å; L70-Y113 HydrophobicContact CD2-CE2 4.15Å; L70-F115 HydrophobicContact CD2-CE2 4.04Å; L70-T135 HydrophobicContact CD1-CG2 4.49Å; L70-P136 HydrophobicContact CD2-CG 4.49Å |
| 71 | A | 98.3 | Very high | 98 | Very high | 12 Ų | 12 | 30.3 Ų | 30.3 | 10% | 0.099 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -83.1 | -33.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A67 D68 L69 P136 C138 | A67-A71 WeakPolarHBondContact O-CB 3.48Å; A67-A71 PolarHBondContact O-N 2.65Å; D68-A71 PolarHBondContact O-N 2.73Å; L69-A71 PolarHBondContact O-N 3.48Å; A71-P136 HydrophobicContact CB-CB 4.25Å; A71-P136 WeakPolarHBondContact CB-O 3.37Å; A71-C138 WeakPolarHBondContact O-CB 3.14Å |
| 72 | C | 98.6 | Very high | 98 | Very high | 18 Ų | 18 | 32.1 Ų | 32.1 | 12% | 0.122 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -107 | -10.3 | -167 | -65.3 | 0 | 0 | 0 | 0 | 115.5 | D68 G74 Y92 C138 | D68-C72 WeakPolarHBondContact O-CB 3.12Å; D68-C72 PolarHBondContact O-N 2.79Å; C72-G74 VanDerWaalsContact C-N 3.33Å; C72-Y92 VanDerWaalsContact CB-OH 3.29Å; C72-Y92 WeakPolarHBondContact CB-OH 3.07Å; C72-Y92 WeakPolarHBondContact O-CE2 3.42Å; C72-Y92 PolarHBondContact O-OH 3.1Å; C72-Y92 VanDerWaalsContact O-OH 3.09Å; C72-C138 VanDerWaalsContact CA-SG 3.53Å; C72-C138 HydrophobicContact CB-CB 3.94Å; C72-C138 WeakPolarHBondContact CB-SG 3.45Å; C72-C138 VanDerWaalsContact SG-CA 3.52Å; C72-C138 WeakPolarHBondContact SG-CB 3.42Å; C72-C138 CovalentContact SG-SG 2.05Å; C72-C138 PolarHBondContact SG-SG 2.89Å |
| 73 | C | 98.4 | Very high | 98 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 3% | 0.034 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -69 | -34.6 | 171.6 | -167.6 | 0 | 0 | 0 | 0 | 112.4 | W40 L69 D76 C77 Y92 | W40-C73 HydrophobicContact CH2-CB 4.19Å; L69-C73 HydrophobicContact CD1-CB 4.19Å; L69-C73 VanDerWaalsContact O-CB 3.25Å; L69-C73 WeakPolarHBondContact O-CB 3.47Å; L69-C73 PolarHBondContact O-N 3.46Å; C73-D76 PolarHBondContact O-N 3.26Å; C73-C77 HydrophobicContact CB-CB 3.66Å; C73-C77 WeakPolarHBondContact CB-SG 3.14Å; C73-C77 WeakPolarHBondContact SG-CB 3.32Å; C73-C77 PolarHBondContact SG-N 2.87Å; C73-C77 CovalentContact SG-SG 2.01Å; C73-C77 PolarHBondContact SG-SG 3.42Å; C73-Y92 VanDerWaalsContact CA-CE2 3.47Å; C73-Y92 HydrophobicContact CB-CD1 4.44Å; C73-Y92 HydrophobicContact CB-CD2 3.83Å; C73-Y92 HydrophobicContact CB-CE2 4.14Å; C73-Y92 HydrophobicContact CB-CG 3.98Å; C73-Y92 WeakPolarHBondContact SG-CD2 3.44Å |
| 74 | G | 96.1 | Very high | 97.9 | Very high | 40 Ų | 40 | 32.3 Ų | 32.3 | 41% | 0.412 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | 59.2 | -145.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | C72 D76 C77 G78 | C72-G74 VanDerWaalsContact C-N 3.33Å; G74-D76 PolarHBondContact O-N 2.79Å; G74-D76 VanDerWaalsContact O-N 3.14Å; G74-C77 PolarHBondContact O-N 2.69Å; G74-C77 VanDerWaalsContact O-N 3.13Å; G74-G78 PolarHBondContact O-N 2.94Å; G74-G78 VanDerWaalsContact O-N 3.1Å; G74-G78 VanDerWaalsContact O-O 3.1Å |
| 75 | S | 95.9 | Very high | 97.9 | Very high | 112 Ų | 112 | 37.8 Ų | 37.8 | 78% | 0.783 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -62.7 | -18.7 | -176.2 | 51.3 | 0 | 0 | 0 | 0 | 114.1 | C77 | S75-C77 VanDerWaalsContact C-N 3.26Å; S75-C77 PolarHBondContact O-N 2.81Å |
| 76 | D | 95.8 | Very high | 97.8 | Very high | 102 Ų | 102 | 39 Ų | 39 | 55% | 0.545 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -66.4 | -31.7 | 177 | -64.7 | -16.6 | 0 | 0 | 0 | 111.2 | C73 G74 N88 | C73-D76 PolarHBondContact O-N 3.26Å; G74-D76 PolarHBondContact O-N 2.79Å; G74-D76 VanDerWaalsContact O-N 3.14Å; D76-N88 WeakPolarHBondContact O-CB 3.07Å; D76-N88 PolarHBondContact O-ND2 3.06Å |
| 77 | C | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -40.7 | 172.9 | -69.2 | 0 | 0 | 0 | 0 | 112.4 | W40 C73 G74 S75 A84 F85 N88 | W40-C77 HydrophobicContact CE3-CB 4.22Å; W40-C77 HydrophobicContact CH2-CB 3.53Å; W40-C77 HydrophobicContact CZ2-CB 4.32Å; W40-C77 HydrophobicContact CZ3-CB 3.48Å; W40-C77 VanDerWaalsContact CZ3-CB 3.48Å; W40-C77 WeakPolarHBondContact CZ3-SG 3.5Å; C73-C77 HydrophobicContact CB-CB 3.66Å; C73-C77 WeakPolarHBondContact CB-SG 3.14Å; C73-C77 WeakPolarHBondContact SG-CB 3.32Å; C73-C77 PolarHBondContact SG-N 2.87Å; C73-C77 CovalentContact SG-SG 2.01Å; C73-C77 PolarHBondContact SG-SG 3.42Å; G74-C77 PolarHBondContact O-N 2.69Å; G74-C77 VanDerWaalsContact O-N 3.13Å; S75-C77 VanDerWaalsContact C-N 3.26Å; S75-C77 PolarHBondContact O-N 2.81Å; C77-A84 HydrophobicContact CB-CB 4.2Å; C77-A84 WeakPolarHBondContact O-CA 3.46Å; C77-A84 WeakPolarHBondContact O-CB 3.44Å; C77-F85 WeakPolarHBondContact O-CD2 3.29Å; C77-F85 PolarHBondContact O-N 2.94Å; C77-N88 HydrophobicContact CB-CB 4.4Å |
| 78 | G | 97 | Very high | 97.8 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 12% | 0.124 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | 149.7 | -129.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G74 | G74-G78 PolarHBondContact O-N 2.94Å; G74-G78 VanDerWaalsContact O-N 3.1Å; G74-G78 VanDerWaalsContact O-O 3.1Å |
| 79 | W | 97.8 | Very high | 97.8 | Very high | 164 Ų | 164 | 44.8 Ų | 44.8 | 62% | 0.621 | 25% | 0.247 | S | C | * | . | trans | -116.8 | 24.7 | -167.2 | -55.2 | -84 | 0 | 0 | 0 | 113.7 | C81 E82 G83 F85 T135 | W79-C81 PolarHBondContact O-N 3.11Å; W79-C81 VanDerWaalsContact O-N 3.15Å; W79-E82 HydrophobicContact CB-CB 3.82Å; W79-E82 PolarHBondContact O-N 3.13Å; W79-E82 VanDerWaalsContact O-N 3.11Å; W79-G83 CarbonylContact C-O 3.21Å; W79-G83 WeakPolarHBondContact CA-O 3.39Å; W79-G83 PolarHBondContact N-O 3.4Å; W79-F85 HydrophobicContact CH2-CE2 4.5Å; W79-F85 HydrophobicContact CZ3-CE2 4.37Å; W79-T135 PolarHBondContact O-OG1 3.14Å | ||
| 80 | G | 98.1 | Very high | 97.8 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 6% | 0.062 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | 64.1 | -114 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | W40 L70 E82 G83 | W40-G80 PolarHBondContact NE1-O 3.07Å; L70-G80 VanDerWaalsContact CD1-C 3.43Å; G80-E82 PolarHBondContact O-N 3.35Å; G80-G83 PolarHBondContact O-N 2.88Å |
| 81 | C | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -70.7 | -10 | 177 | -72.5 | 0 | 0 | 0 | 0 | 114.1 | C36 G37 W79 G83 Q133 T135 | C36-C81 HydrophobicContact CB-CB 3.94Å; C36-C81 WeakPolarHBondContact CB-SG 3.18Å; C36-C81 WeakPolarHBondContact SG-CA 3.19Å; C36-C81 WeakPolarHBondContact SG-CB 3.18Å; C36-C81 CovalentContact SG-SG 2.04Å; C36-C81 PolarHBondContact SG-SG 3.29Å; G37-C81 WeakPolarHBondContact CA-O 3.36Å; G37-C81 PolarHBondContact N-O 3.36Å; W79-C81 PolarHBondContact O-N 3.11Å; W79-C81 VanDerWaalsContact O-N 3.15Å; C81-G83 VanDerWaalsContact C-N 3.34Å; C81-Q133 WeakPolarHBondContact CB-O 3.38Å; C81-Q133 PolarHBondContact SG-O 3.5Å; C81-T135 PolarHBondContact N-OG1 3.29Å |
| 82 | E | 97.7 | Very high | 97.8 | Very high | 148 Ų | 148 | 46.9 Ų | 46.9 | 69% | 0.692 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -91.3 | 0.1 | 175 | -67.1 | 173.1 | -138.8 | 0 | 0 | 112.6 | W79 G80 L132 | W79-E82 HydrophobicContact CB-CB 3.82Å; W79-E82 PolarHBondContact O-N 3.13Å; W79-E82 VanDerWaalsContact O-N 3.11Å; G80-E82 PolarHBondContact O-N 3.35Å; E82-L132 HydrophobicContact CG-CD2 3.85Å |
| 83 | G | 97.5 | Very high | 97.8 | Very high | 20 Ų | 20 | 46 Ų | 46 | 21% | 0.206 | 25% | 0.251 | C | S | . | . | trans | 107.3 | 165.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | W79 G80 C81 | W79-G83 CarbonylContact C-O 3.21Å; W79-G83 WeakPolarHBondContact CA-O 3.39Å; W79-G83 PolarHBondContact N-O 3.4Å; G80-G83 PolarHBondContact O-N 2.88Å; C81-G83 VanDerWaalsContact C-N 3.34Å | ||
| 84 | A | 97.7 | Very high | 97.7 | Very high | 23 Ų | 23 | 47.7 Ų | 47.7 | 19% | 0.19 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -169.1 | -179.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | W40 C77 | W40-A84 HydrophobicContact CD2-CB 3.43Å; W40-A84 VanDerWaalsContact CD2-CB 3.43Å; W40-A84 HydrophobicContact CE3-CB 4.01Å; W40-A84 HydrophobicContact CG-CB 3.66Å; W40-A84 HydrophobicContact CH2-CB 4.42Å; W40-A84 HydrophobicContact CZ2-CB 3.87Å; W40-A84 HydrophobicContact CZ3-CB 4.48Å; C77-A84 HydrophobicContact CB-CB 4.2Å; C77-A84 WeakPolarHBondContact O-CA 3.46Å; C77-A84 WeakPolarHBondContact O-CB 3.44Å |
| 85 | F | 97.4 | Very high | 97.8 | Very high | 115 Ų | 115 | 51 Ų | 51 | 50% | 0.504 | 27% | 0.269 | S | S | . | . | trans | -92.6 | 118 | 179 | -58.7 | -77.8 | 0 | 0 | 0 | 111.2 | C77 W79 Y87 N88 | C77-F85 WeakPolarHBondContact O-CD2 3.29Å; C77-F85 PolarHBondContact O-N 2.94Å; W79-F85 HydrophobicContact CH2-CE2 4.5Å; W79-F85 HydrophobicContact CZ3-CE2 4.37Å; F85-Y87 VanDerWaalsContact C-N 3.35Å; F85-Y87 PolarHBondContact O-N 2.71Å; F85-N88 HydrophobicContact CB-CB 4.34Å; F85-N88 PolarHBondContact O-N 3.24Å; F85-N88 VanDerWaalsContact O-N 3.09Å | ||
| 86 | P | 98 | Very high | 97.8 | Very high | 24 Ų | 24 | 49.9 Ų | 49.9 | 16% | 0.156 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -51.6 | -46.9 | -179.2 | -32.7 | 39.4 | 0 | 0 | 0 | 114.1 | W40 N88 A89 E182 A211 | W40-P86 HydrophobicContact CB-CG 4.23Å; P86-N88 PolarHBondContact O-N 3.09Å; P86-N88 VanDerWaalsContact O-N 3.16Å; P86-A89 VanDerWaalsContact O-CB 3.27Å; P86-A89 WeakPolarHBondContact O-CB 3.48Å; P86-A89 PolarHBondContact O-N 3.45Å; P86-E182 HydrophobicContact CB-CG 4.24Å; P86-A211 HydrophobicContact CG-CB 4.1Å |
| 87 | Y | 98.2 | Very high | 97.9 | Very high | 83 Ų | 83 | 45.1 Ų | 45.1 | 33% | 0.325 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56 | -37.6 | 179.4 | 176.7 | -116.2 | 0 | 0 | 0 | 113.6 | F85 A89 W90 V91 A161 M163 A258 | F85-Y87 VanDerWaalsContact C-N 3.35Å; F85-Y87 PolarHBondContact O-N 2.71Å; Y87-A89 PolarHBondContact O-N 3.28Å; Y87-W90 WeakPolarHBondContact O-CB 3.42Å; Y87-W90 PolarHBondContact O-N 3.23Å; Y87-W90 VanDerWaalsContact O-N 3.08Å; Y87-V91 HydrophobicContact CD1-CG2 4.11Å; Y87-V91 HydrophobicContact CE1-CG2 3.58Å; Y87-V91 HydrophobicContact CE2-CG2 4.07Å; Y87-V91 PolarHBondContact O-N 3.11Å; Y87-A161 HydrophobicContact CE2-CB 4.47Å; Y87-M163 HydrophobicContact CD2-CG 3.86Å; Y87-M163 HydrophobicContact CD2-SD 3.75Å; Y87-M163 HydrophobicContact CE2-CG 4.19Å; Y87-M163 HydrophobicContact CG-CG 4.13Å; Y87-M163 HydrophobicContact CG-SD 3.78Å; Y87-A258 HydrophobicContact CD2-CB 4.29Å |
| 88 | N | 98.6 | Very high | 97.9 | Very high | 52 Ų | 52 | 45.1 Ų | 45.1 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.2 | -22.9 | -176.8 | -67.7 | 7.7 | 0 | 0 | 0 | 112.1 | D76 C77 F85 P86 W90 V91 Y92 | D76-N88 WeakPolarHBondContact O-CB 3.07Å; D76-N88 PolarHBondContact O-ND2 3.06Å; C77-N88 HydrophobicContact CB-CB 4.4Å; F85-N88 HydrophobicContact CB-CB 4.34Å; F85-N88 PolarHBondContact O-N 3.24Å; F85-N88 VanDerWaalsContact O-N 3.09Å; P86-N88 PolarHBondContact O-N 3.09Å; P86-N88 VanDerWaalsContact O-N 3.16Å; N88-W90 VanDerWaalsContact C-N 3.32Å; N88-W90 PolarHBondContact O-N 2.66Å; N88-V91 PolarHBondContact O-N 3.43Å; N88-Y92 WeakPolarHBondContact O-CB 3.36Å; N88-Y92 PolarHBondContact O-N 2.87Å |
| 89 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61 | -42.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W40 A44 L69 P86 Y87 Y92 W93 | W40-A89 HydrophobicContact CE3-CB 3.89Å; W40-A89 HydrophobicContact CZ3-CB 3.96Å; A44-A89 HydrophobicContact CB-CB 3.63Å; L69-A89 HydrophobicContact CD1-CB 4.14Å; L69-A89 HydrophobicContact CD2-CB 3.73Å; L69-A89 HydrophobicContact CG-CB 4.4Å; P86-A89 VanDerWaalsContact O-CB 3.27Å; P86-A89 WeakPolarHBondContact O-CB 3.48Å; P86-A89 PolarHBondContact O-N 3.45Å; Y87-A89 PolarHBondContact O-N 3.28Å; A89-Y92 PolarHBondContact O-N 3.07Å; A89-W93 PolarHBondContact O-N 3.26Å |
| 90 | W | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.2 | -40.7 | 178.7 | -65.2 | 82.6 | 0 | 0 | 0 | 111.1 | I48 Y87 N88 Y92 W93 V94 A161 E182 A258 G260 | I48-W90 HydrophobicContact CD1-CE3 4.43Å; I48-W90 HydrophobicContact CG1-CE3 4.01Å; I48-W90 HydrophobicContact CG1-CH2 4Å; I48-W90 HydrophobicContact CG1-CZ3 3.66Å; Y87-W90 WeakPolarHBondContact O-CB 3.42Å; Y87-W90 PolarHBondContact O-N 3.23Å; Y87-W90 VanDerWaalsContact O-N 3.08Å; N88-W90 VanDerWaalsContact C-N 3.32Å; N88-W90 PolarHBondContact O-N 2.66Å; W90-Y92 VanDerWaalsContact C-N 3.33Å; W90-Y92 PolarHBondContact O-N 3.05Å; W90-W93 AromaticContact CE3-CE3 3.89Å; W90-W93 HydrophobicContact CE3-CE3 3.89Å; W90-W93 AromaticContact CE3-CZ3 3.95Å; W90-W93 HydrophobicContact CE3-CZ3 3.95Å; W90-W93 HydrophobicContact CZ3-CE3 4.3Å; W90-W93 AromaticContact CZ3-CZ3 3.98Å; W90-W93 HydrophobicContact CZ3-CZ3 3.98Å; W90-W93 WeakPolarHBondContact O-CB 3.27Å; W90-W93 PolarHBondContact O-N 2.95Å; W90-V94 WeakPolarHBondContact O-CG2 3.35Å; W90-V94 PolarHBondContact O-N 2.6Å; W90-V94 VanDerWaalsContact O-N 3.1Å; W90-A161 VanDerWaalsContact C-CB 3.46Å; W90-A161 HydrophobicContact CB-CB 3.63Å; W90-E182 HydrophobicContact CZ2-CB 4.06Å; W90-E182 PolarHBondContact NE1-OE2 2.86Å; W90-A258 VanDerWaalsContact CD1-CB 3.5Å; W90-A258 HydrophobicContact CG-CB 4.24Å; W90-G260 VanDerWaalsContact CE3-N 3.28Å |
| 91 | V | 98.4 | Very high | 98 | Very high | 44 Ų | 44 | 37 Ų | 37 | 27% | 0.267 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 173.7 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | Y87 N88 W93 V94 N95 A161 | Y87-V91 HydrophobicContact CD1-CG2 4.11Å; Y87-V91 HydrophobicContact CE1-CG2 3.58Å; Y87-V91 HydrophobicContact CE2-CG2 4.07Å; Y87-V91 PolarHBondContact O-N 3.11Å; N88-V91 PolarHBondContact O-N 3.43Å; V91-W93 VanDerWaalsContact C-N 3.33Å; V91-W93 PolarHBondContact O-N 2.68Å; V91-V94 PolarHBondContact O-N 3.5Å; V91-N95 PolarHBondContact O-N 3.37Å; V91-A161 HydrophobicContact CG2-CB 4.25Å |
| 92 | Y | 98.4 | Very high | 97.9 | Very high | 16 Ų | 16 | 37.4 Ų | 37.4 | 6% | 0.063 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.1 | -43.5 | 175.5 | -176.3 | -90.4 | 0 | 0 | 0 | 112 | L69 C72 C73 N88 A89 W90 V94 N95 H96 L98 | L69-Y92 HydrophobicContact CD1-CD1 3.62Å; L69-Y92 HydrophobicContact CD1-CE1 4.37Å; L69-Y92 HydrophobicContact CD1-CG 4.12Å; C72-Y92 VanDerWaalsContact CB-OH 3.29Å; C72-Y92 WeakPolarHBondContact CB-OH 3.07Å; C72-Y92 WeakPolarHBondContact O-CE2 3.42Å; C72-Y92 PolarHBondContact O-OH 3.1Å; C72-Y92 VanDerWaalsContact O-OH 3.09Å; C73-Y92 VanDerWaalsContact CA-CE2 3.47Å; C73-Y92 HydrophobicContact CB-CD1 4.44Å; C73-Y92 HydrophobicContact CB-CD2 3.83Å; C73-Y92 HydrophobicContact CB-CE2 4.14Å; C73-Y92 HydrophobicContact CB-CG 3.98Å; C73-Y92 WeakPolarHBondContact SG-CD2 3.44Å; N88-Y92 WeakPolarHBondContact O-CB 3.36Å; N88-Y92 PolarHBondContact O-N 2.87Å; A89-Y92 PolarHBondContact O-N 3.07Å; W90-Y92 VanDerWaalsContact C-N 3.33Å; W90-Y92 PolarHBondContact O-N 3.05Å; Y92-V94 VanDerWaalsContact C-N 3.3Å; Y92-V94 PolarHBondContact O-N 3.3Å; Y92-N95 PolarHBondContact O-N 3Å; Y92-H96 HydrophobicContact CD1-CB 4.27Å; Y92-H96 HydrophobicContact CD2-CB 4.22Å; Y92-H96 AromaticContact CD2-CD2 3.43Å; Y92-H96 VanDerWaalsContact CD2-CD2 3.43Å; Y92-H96 WeakPolarHBondContact CD2-CD2 3.44Å; Y92-H96 HydrophobicContact CE1-CB 3.87Å; Y92-H96 HydrophobicContact CE2-CB 3.81Å; Y92-H96 AromaticContact CE2-CD2 3.41Å; Y92-H96 VanDerWaalsContact CE2-CD2 3.41Å; Y92-H96 WeakPolarHBondContact CE2-CD2 3.33Å; Y92-H96 AromaticContact CE2-CG 3.73Å; Y92-H96 HydrophobicContact CG-CB 4.44Å; Y92-H96 WeakPolarHBondContact O-CB 3.29Å; Y92-H96 PolarHBondContact O-N 2.03Å; Y92-L98 HydrophobicContact CD1-CD2 3.99Å; Y92-L98 HydrophobicContact CE1-CD2 3.84Å |
| 93 | W | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.4 | -40.8 | 177.3 | 172.6 | 48.2 | 0 | 0 | 0 | 112.6 | I48 I52 A89 W90 V91 S97 L98 Y156 G158 L261 F262 | I48-W93 HydrophobicContact CD1-CB 3.89Å; I48-W93 HydrophobicContact CD1-CD2 3.68Å; I48-W93 HydrophobicContact CD1-CE3 3.87Å; I48-W93 HydrophobicContact CD1-CG 3.68Å; I48-W93 HydrophobicContact CG1-CD2 3.94Å; I48-W93 HydrophobicContact CG1-CE3 3.82Å; I48-W93 HydrophobicContact CG1-CG 4.46Å; I48-W93 HydrophobicContact CG1-CH2 4.43Å; I48-W93 HydrophobicContact CG1-CZ3 4.08Å; I48-W93 HydrophobicContact CG2-CD2 3.91Å; I48-W93 VanDerWaalsContact CG2-CE2 3.43Å; I48-W93 HydrophobicContact CG2-CE3 4.38Å; I48-W93 HydrophobicContact CG2-CG 4.46Å; I48-W93 HydrophobicContact CG2-CH2 3.97Å; I48-W93 HydrophobicContact CG2-CZ2 3.48Å; I48-W93 VanDerWaalsContact CG2-CZ2 3.48Å; I48-W93 HydrophobicContact CG2-CZ3 4.4Å; I52-W93 HydrophobicContact CG1-CZ2 4.45Å; A89-W93 PolarHBondContact O-N 3.26Å; W90-W93 AromaticContact CE3-CE3 3.89Å; W90-W93 HydrophobicContact CE3-CE3 3.89Å; W90-W93 AromaticContact CE3-CZ3 3.95Å; W90-W93 HydrophobicContact CE3-CZ3 3.95Å; W90-W93 HydrophobicContact CZ3-CE3 4.3Å; W90-W93 AromaticContact CZ3-CZ3 3.98Å; W90-W93 HydrophobicContact CZ3-CZ3 3.98Å; W90-W93 WeakPolarHBondContact O-CB 3.27Å; W90-W93 PolarHBondContact O-N 2.95Å; V91-W93 VanDerWaalsContact C-N 3.33Å; V91-W93 PolarHBondContact O-N 2.68Å; W93-S97 WeakPolarHBondContact O-CA 3.31Å; W93-S97 PolarHBondContact O-N 2.97Å; W93-L98 HydrophobicContact CB-CD1 4.02Å; W93-L98 HydrophobicContact CB-CG 4.39Å; W93-L98 HydrophobicContact CG-CD1 4.18Å; W93-Y156 PolarHBondContact NE1-O 2.7Å; W93-G158 VanDerWaalsContact CE2-N 3.25Å; W93-L261 VanDerWaalsContact CH2-C 3.5Å; W93-L261 VanDerWaalsContact CH2-O 3.24Å; W93-L261 WeakPolarHBondContact CH2-O 3.21Å; W93-F262 HydrophobicContact CH2-CB 4.41Å; W93-F262 HydrophobicContact CZ2-CD2 4.23Å |
| 94 | V | 97.6 | Very high | 97.9 | Very high | 40 Ų | 40 | 39 Ų | 39 | 24% | 0.242 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.9 | -46.5 | 175.7 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | W90 V91 Y92 A160 A161 | W90-V94 WeakPolarHBondContact O-CG2 3.35Å; W90-V94 PolarHBondContact O-N 2.6Å; W90-V94 VanDerWaalsContact O-N 3.1Å; V91-V94 PolarHBondContact O-N 3.5Å; Y92-V94 VanDerWaalsContact C-N 3.3Å; Y92-V94 PolarHBondContact O-N 3.3Å; V94-A160 VanDerWaalsContact CG2-C 3.42Å; V94-A161 HydrophobicContact CG2-CB 3.82Å |
| 95 | N | 96.7 | Very high | 97.7 | Very high | 108 Ų | 108 | 44.9 Ų | 44.9 | 58% | 0.578 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -77.6 | -31.7 | -172.8 | -70 | -15.5 | 0 | 0 | 0 | 114 | V91 Y92 | V91-N95 PolarHBondContact O-N 3.37Å; Y92-N95 PolarHBondContact O-N 3Å |
| 96 | H | 96.6 | Very high | 97.6 | Very high | 89 Ų | 89 | 41.1 Ų | 41.1 | 41% | 0.412 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -127.5 | -9.2 | -168.1 | -64.6 | -64.7 | 0 | 0 | 0 | 114.5 | Y92 | Y92-H96 HydrophobicContact CD1-CB 4.27Å; Y92-H96 HydrophobicContact CD2-CB 4.22Å; Y92-H96 AromaticContact CD2-CD2 3.43Å; Y92-H96 VanDerWaalsContact CD2-CD2 3.43Å; Y92-H96 WeakPolarHBondContact CD2-CD2 3.44Å; Y92-H96 HydrophobicContact CE1-CB 3.87Å; Y92-H96 HydrophobicContact CE2-CB 3.81Å; Y92-H96 AromaticContact CE2-CD2 3.41Å; Y92-H96 VanDerWaalsContact CE2-CD2 3.41Å; Y92-H96 WeakPolarHBondContact CE2-CD2 3.33Å; Y92-H96 AromaticContact CE2-CG 3.73Å; Y92-H96 HydrophobicContact CG-CB 4.44Å; Y92-H96 WeakPolarHBondContact O-CB 3.29Å; Y92-H96 PolarHBondContact O-N 2.03Å |
| 97 | S | 97.1 | Very high | 97.3 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | trans | 56.8 | 164.6 | -174.7 | 62.6 | 0 | 0 | 0 | 0 | 114.1 | W93 K155 Y156 Y157 | W93-S97 WeakPolarHBondContact O-CA 3.31Å; W93-S97 PolarHBondContact O-N 2.97Å; S97-K155 PolarHBondContact O-NZ 3.46Å; S97-K155 VanDerWaalsContact OG-CB 3.3Å; S97-K155 WeakPolarHBondContact OG-CB 3.45Å; S97-K155 WeakPolarHBondContact OG-CD 3.46Å; S97-K155 VanDerWaalsContact OG-CG 3.29Å; S97-K155 WeakPolarHBondContact OG-CG 3.49Å; S97-Y156 WeakPolarHBondContact CA-O 3.46Å; S97-Y156 VanDerWaalsContact CB-O 3.24Å; S97-Y156 WeakPolarHBondContact CB-O 3.13Å; S97-Y157 WeakPolarHBondContact OG-CE1 3.48Å | ||
| 98 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -125.7 | 144.3 | -179.5 | -66.3 | 171.7 | 0 | 0 | 0 | 110.6 | I48 I64 D68 L69 Y92 W93 Y156 | I48-L98 HydrophobicContact CD1-CD1 3.96Å; I64-L98 HydrophobicContact CG2-CB 3.65Å; I64-L98 HydrophobicContact CG2-CD1 3.64Å; I64-L98 HydrophobicContact CG2-CG 4.28Å; D68-L98 HydrophobicContact CB-CD2 4.47Å; L69-L98 HydrophobicContact CB-CD1 4.3Å; L69-L98 HydrophobicContact CB-CD2 3.73Å; L69-L98 HydrophobicContact CD1-CD2 4.15Å; L69-L98 HydrophobicContact CD2-CD1 4.36Å; L69-L98 HydrophobicContact CG-CD2 4.48Å; Y92-L98 HydrophobicContact CD1-CD2 3.99Å; Y92-L98 HydrophobicContact CE1-CD2 3.84Å; W93-L98 HydrophobicContact CB-CD1 4.02Å; W93-L98 HydrophobicContact CB-CG 4.39Å; W93-L98 HydrophobicContact CG-CD1 4.18Å; L98-Y156 PolarHBondContact N-O 3.02Å; L98-Y156 VanDerWaalsContact N-O 3.16Å; L98-Y156 PolarHBondContact O-N 3.39Å |
| 99 | V | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -84 | 169.5 | 171.4 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | S65 D68 C110 K111 Y151 D154 K155 | S65-V99 VanDerWaalsContact CB-O 3.28Å; S65-V99 WeakPolarHBondContact CB-O 3.46Å; S65-V99 PolarHBondContact N-O 3.42Å; D68-V99 HydrophobicContact CB-CG2 3.74Å; D68-V99 PolarHBondContact OD2-N 3.33Å; V99-C110 HydrophobicContact CB-CB 3.82Å; V99-C110 HydrophobicContact CG1-CB 4.48Å; V99-C110 HydrophobicContact CG2-CB 3.89Å; V99-K111 HydrophobicContact CG2-CB 4.11Å; V99-K111 HydrophobicContact CG2-CD 4.16Å; V99-K111 HydrophobicContact CG2-CG 3.96Å; V99-Y151 HydrophobicContact CG1-CD2 3.71Å; V99-Y151 HydrophobicContact CG1-CE2 3.67Å; V99-Y151 HydrophobicContact CG1-CG 4.18Å; V99-Y151 WeakPolarHBondContact CG1-O 3.37Å; V99-Y151 HydrophobicContact CG2-CD2 4.4Å; V99-Y151 HydrophobicContact CG2-CE2 4.07Å; V99-D154 WeakPolarHBondContact CA-O 3.42Å; V99-D154 HydrophobicContact CB-CB 4.28Å; V99-D154 HydrophobicContact CG1-CB 4.16Å; V99-K155 HydrophobicContact CG1-CD 3.56Å; V99-K155 HydrophobicContact CG1-CG 4.3Å | ||
| 100 | T | 98.8 | Very high | 97.1 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 7% | 0.067 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -73.8 | 156.9 | 170.1 | 65 | 0 | 0 | 0 | 0 | 112.1 | P62 T63 G109 C110 K111 D154 Y156 | P62-T100 HydrophobicContact CB-CG2 3.97Å; T63-T100 CarbonylContact O-C 3.55Å; T63-T100 WeakPolarHBondContact O-CA 3.15Å; T63-T100 WeakPolarHBondContact O-CB 3.29Å; T100-G109 WeakPolarHBondContact OG1-CA 3.36Å; T100-C110 CarbonylContact O-C 3.59Å; T100-C110 WeakPolarHBondContact O-CA 3.45Å; T100-C110 WeakPolarHBondContact O-CB 3.41Å; T100-C110 PolarHBondContact O-N 2.87Å; T100-C110 PolarHBondContact OG1-N 3.31Å; T100-K111 PolarHBondContact O-N 3.26Å; T100-D154 WeakPolarHBondContact CB-OD2 3.29Å; T100-D154 PolarHBondContact N-OD2 2.94Å; T100-D154 PolarHBondContact OG1-OD2 3.49Å; T100-Y156 HydrophobicContact CG2-CD2 4.18Å; T100-Y156 HydrophobicContact CG2-CE2 3.56Å |
| 101 | G | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | 177.2 | 120.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T63 K111 | T63-G101 WeakPolarHBondContact CG2-O 3.5Å; T63-G101 PolarHBondContact O-N 2.98Å; G101-K111 VanDerWaalsContact CA-O 3.26Å; G101-K111 WeakPolarHBondContact CA-O 3.47Å | ||
| 102 | G | 97.4 | Very high | 97 | Very high | 9 Ų | 9 | 41 Ų | 41 | 9% | 0.093 | 23% | 0.228 | C | C | . | . | trans | -84 | -161.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S108 P112 Y113 | G102-S108 PolarHBondContact N-O 3.37Å; G102-P112 WeakPolarHBondContact O-CA 3.29Å; G102-Y113 PolarHBondContact O-N 3.36Å | ||
| 103 | L | 97.4 | Very high | 97 | Very high | 95 Ų | 95 | 41 Ų | 41 | 50% | 0.497 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -67.8 | 168.2 | 178.4 | -59.6 | 178.4 | 0 | 0 | 0 | 112 | R31 N105 S106 | R31-L103 HydrophobicContact CB-CD2 4.16Å; R31-L103 HydrophobicContact CG-CD2 3.98Å; L103-N105 PolarHBondContact O-N 2.66Å; L103-S106 PolarHBondContact N-OG 3.34Å; L103-S106 VanDerWaalsContact O-CB 3.31Å; L103-S106 WeakPolarHBondContact O-CB 3.48Å; L103-S106 PolarHBondContact O-N 3.36Å; L103-S106 VanDerWaalsContact O-N 3.14Å; L103-S106 PolarHBondContact O-OG 3.18Å |
| 104 | Y | 97.2 | Very high | 97 | Very high | 106 Ų | 106 | 43.6 Ų | 43.6 | 42% | 0.416 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 136.8 | 172.4 | 176.6 | -103.1 | 0 | 0 | 0 | 112.6 | S106 Y113 P114 F115 P116 | Y104-S106 PolarHBondContact O-N 3.49Å; Y104-Y113 VanDerWaalsContact CA-O 3.28Å; Y104-Y113 WeakPolarHBondContact CA-O 3.23Å; Y104-P114 WeakPolarHBondContact CE2-O 3.37Å; Y104-F115 VanDerWaalsContact CB-O 3.23Å; Y104-F115 WeakPolarHBondContact CB-O 3.34Å; Y104-F115 WeakPolarHBondContact CD2-O 3.4Å; Y104-P116 HydrophobicContact CD1-CB 4.05Å; Y104-P116 HydrophobicContact CE1-CB 3.73Å; Y104-P116 HydrophobicContact CE2-CB 4.36Å; Y104-P116 HydrophobicContact CG-CB 4.48Å |
| 105 | N | 94.1 | Very high | 97 | Very high | 147 Ų | 147 | 42.7 Ų | 42.7 | 79% | 0.786 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 19.3 | -179.9 | -156.1 | 34.4 | 0 | 0 | 0 | 114.6 | L103 | L103-N105 PolarHBondContact O-N 2.66Š|
| 106 | S | 94.2 | Very high | 97 | Very high | 36 Ų | 36 | 40.3 Ų | 40.3 | 25% | 0.252 | 23% | 0.228 | S | C | . | . | trans | -87.2 | 150.3 | 167.8 | 74.1 | 0 | 0 | 0 | 0 | 110.6 | L103 Y104 S108 P112 | L103-S106 PolarHBondContact N-OG 3.34Å; L103-S106 VanDerWaalsContact O-CB 3.31Å; L103-S106 WeakPolarHBondContact O-CB 3.48Å; L103-S106 PolarHBondContact O-N 3.36Å; L103-S106 VanDerWaalsContact O-N 3.14Å; L103-S106 PolarHBondContact O-OG 3.18Å; Y104-S106 PolarHBondContact O-N 3.49Å; S106-S108 PolarHBondContact O-N 2.72Å; S106-P112 VanDerWaalsContact O-CG 3.24Å; S106-P112 WeakPolarHBondContact O-CG 3.31Å | ||
| 107 | S | 91.8 | Very high | 97.1 | Very high | 88 Ų | 88 | 37.8 Ų | 37.8 | 62% | 0.615 | 22% | 0.22 | S | C | * | . | trans | -85.6 | 9.8 | 167.1 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 108 | S | 94.3 | Very high | 97.2 | Very high | 58 Ų | 58 | 38 Ų | 38 | 41% | 0.406 | 22% | 0.221 | S | C | . | . | trans | -84.3 | 118.5 | -172.4 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | G102 S106 | G102-S108 PolarHBondContact N-O 3.37Å; S106-S108 PolarHBondContact O-N 2.72Å | ||
| 109 | G | 97.6 | Very high | 97.1 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 77.2 | 173.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115 | T100 Y146 | T100-G109 WeakPolarHBondContact OG1-CA 3.36Å; G109-Y146 VanDerWaalsContact C-CD2 3.44Å |
| 110 | C | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -62.2 | -46.6 | -173.5 | 176.2 | 0 | 0 | 0 | 0 | 113.5 | V99 T100 C142 S143 Y146 D154 | V99-C110 HydrophobicContact CB-CB 3.82Å; V99-C110 HydrophobicContact CG1-CB 4.48Å; V99-C110 HydrophobicContact CG2-CB 3.89Å; T100-C110 CarbonylContact O-C 3.59Å; T100-C110 WeakPolarHBondContact O-CA 3.45Å; T100-C110 WeakPolarHBondContact O-CB 3.41Å; T100-C110 PolarHBondContact O-N 2.87Å; T100-C110 PolarHBondContact OG1-N 3.31Å; C110-C142 HydrophobicContact CB-CB 3.85Å; C110-C142 WeakPolarHBondContact CB-SG 3.27Å; C110-C142 CarbonylContact O-C 3.56Å; C110-C142 VanDerWaalsContact O-CA 3.25Å; C110-C142 WeakPolarHBondContact O-CA 3.3Å; C110-C142 WeakPolarHBondContact SG-CA 3.28Å; C110-C142 WeakPolarHBondContact SG-CB 3.35Å; C110-C142 CovalentContact SG-SG 2.03Å; C110-C142 PolarHBondContact SG-SG 2.96Å; C110-S143 PolarHBondContact O-N 3.38Å; C110-Y146 HydrophobicContact CB-CD1 3.92Å; C110-Y146 HydrophobicContact CB-CE1 3.88Å; C110-D154 HydrophobicContact CB-CB 4.18Å; C110-D154 WeakPolarHBondContact CB-OD2 3.38Å |
| 111 | K | 97.9 | Very high | 96.9 | Very high | 21 Ų | 21 | 44.5 Ų | 44.5 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -132.2 | 83 | -177 | -65.4 | -168.7 | 77.9 | -179 | 0 | 112.4 | S65 D68 V99 T100 G101 T139 Y151 | S65-K111 WeakPolarHBondContact CB-O 3.36Å; S65-K111 PolarHBondContact OG-O 2.65Å; D68-K111 HydrophobicContact CB-CD 4.31Å; V99-K111 HydrophobicContact CG2-CB 4.11Å; V99-K111 HydrophobicContact CG2-CD 4.16Å; V99-K111 HydrophobicContact CG2-CG 3.96Å; T100-K111 PolarHBondContact O-N 3.26Å; G101-K111 VanDerWaalsContact CA-O 3.26Å; G101-K111 WeakPolarHBondContact CA-O 3.47Å; K111-T139 WeakPolarHBondContact CE-O 3.44Å; K111-T139 PolarHBondContact NZ-O 3.16Å; K111-T139 PolarHBondContact NZ-OG1 3.28Å; K111-Y151 HydrophobicContact CD-CD2 4.19Å; K111-Y151 HydrophobicContact CD-CE2 3.84Å |
| 112 | P | 98 | Very high | 96.8 | Very high | 26 Ų | 26 | 46.5 Ų | 46.5 | 17% | 0.169 | 26% | 0.257 | C | S | . | . | trans | -57.1 | 155.5 | 173.3 | -21.5 | 32.2 | 0 | 0 | 0 | 112.6 | G102 S106 | G102-P112 WeakPolarHBondContact O-CA 3.29Å; S106-P112 VanDerWaalsContact O-CG 3.24Å; S106-P112 WeakPolarHBondContact O-CG 3.31Å | ||
| 113 | Y | 98.4 | Very high | 96.6 | Very high | 15 Ų | 15 | 52.2 Ų | 52.2 | 6% | 0.059 | 30% | 0.296 | C | S | . | . | trans | -62.7 | 134.5 | 179.2 | -160 | -115.5 | 0 | 0 | 0 | 111.4 | D32 Q33 S38 T66 A67 L70 G102 Y104 F115 | D32-Y113 WeakPolarHBondContact O-CE1 3.43Å; Q33-Y113 PolarHBondContact O-OH 3.11Å; S38-Y113 PolarHBondContact OG-OH 3.19Å; T66-Y113 HydrophobicContact CG2-CD2 3.98Å; T66-Y113 HydrophobicContact CG2-CE2 3.63Å; A67-Y113 HydrophobicContact CB-CD2 4.38Å; L70-Y113 HydrophobicContact CD2-CE2 4.15Å; G102-Y113 PolarHBondContact O-N 3.36Å; Y104-Y113 VanDerWaalsContact CA-O 3.28Å; Y104-Y113 WeakPolarHBondContact CA-O 3.23Å; Y113-F115 HydrophobicContact CD1-CB 4.3Å; Y113-F115 HydrophobicContact CE1-CB 3.89Å; Y113-F115 AromaticContact CE1-CD2 3.74Å; Y113-F115 HydrophobicContact CE1-CD2 3.74Å; Y113-F115 HydrophobicContact CE1-CG 4.29Å; Y113-F115 HydrophobicContact CE2-CD2 4.44Å; Y113-F115 AromaticContact CZ-CD2 3.67Å | ||
| 114 | P | 97.3 | Very high | 96.4 | Very high | 56 Ų | 56 | 49.5 Ų | 49.5 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | trans | -87.9 | -12.7 | -168.4 | 33.1 | -35.4 | 0 | 0 | 0 | 114.3 | Y104 P136 | Y104-P114 WeakPolarHBondContact CE2-O 3.37Å; P114-P136 HydrophobicContact CG-CG 3.73Å | ||
| 115 | F | 98.2 | Very high | 96.4 | Very high | 20 Ų | 20 | 50 Ų | 50 | 9% | 0.088 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -106.5 | 137.9 | -172.6 | -51.7 | -53.7 | 0 | 0 | 0 | 112.2 | S34 C36 L70 Y104 Y113 Q133 K134 P136 | S34-F115 VanDerWaalsContact CB-CB 3.49Å; C36-F115 HydrophobicContact CB-CD2 3.97Å; C36-F115 HydrophobicContact CB-CE2 3.94Å; L70-F115 HydrophobicContact CD2-CE2 4.04Å; Y104-F115 VanDerWaalsContact CB-O 3.23Å; Y104-F115 WeakPolarHBondContact CB-O 3.34Å; Y104-F115 WeakPolarHBondContact CD2-O 3.4Å; Y113-F115 HydrophobicContact CD1-CB 4.3Å; Y113-F115 HydrophobicContact CE1-CB 3.89Å; Y113-F115 AromaticContact CE1-CD2 3.74Å; Y113-F115 HydrophobicContact CE1-CD2 3.74Å; Y113-F115 HydrophobicContact CE1-CG 4.29Å; Y113-F115 HydrophobicContact CE2-CD2 4.44Å; Y113-F115 AromaticContact CZ-CD2 3.67Å; F115-Q133 HydrophobicContact CB-CG 4.34Å; F115-Q133 HydrophobicContact CD1-CB 3.97Å; F115-Q133 HydrophobicContact CD1-CG 3.82Å; F115-Q133 HydrophobicContact CD2-CB 4.21Å; F115-Q133 HydrophobicContact CD2-CG 4.24Å; F115-Q133 HydrophobicContact CE1-CB 3.75Å; F115-Q133 HydrophobicContact CE1-CG 4.13Å; F115-Q133 HydrophobicContact CE2-CB 4Å; F115-Q133 HydrophobicContact CG-CB 4.2Å; F115-Q133 HydrophobicContact CG-CG 3.88Å; F115-Q133 HydrophobicContact CZ-CB 3.75Å; F115-Q133 HydrophobicContact CZ-CG 4.46Å; F115-K134 WeakPolarHBondContact CZ-O 3.38Å; F115-P136 HydrophobicContact CE1-CG 4.36Å; F115-P136 HydrophobicContact CE2-CG 4.15Å; F115-P136 HydrophobicContact CZ-CG 3.6Å |
| 116 | P | 97.7 | Very high | 96.5 | Very high | 58 Ų | 58 | 47.3 Ų | 47.3 | 38% | 0.377 | 28% | 0.284 | S | S | . | . | trans | -66.1 | 149.6 | 178.4 | 28.7 | -35 | 0 | 0 | 0 | 111.8 | S34 Y104 | S34-P116 WeakPolarHBondContact CB-O 3.39Å; S34-P116 PolarHBondContact OG-O 2.81Å; Y104-P116 HydrophobicContact CD1-CB 4.05Å; Y104-P116 HydrophobicContact CE1-CB 3.73Å; Y104-P116 HydrophobicContact CE2-CB 4.36Å; Y104-P116 HydrophobicContact CG-CB 4.48Å | ||
| 117 | P | 98.1 | Very high | 96.6 | Very high | 36 Ų | 36 | 50 Ų | 50 | 23% | 0.234 | 30% | 0.301 | C | S | . | . | trans | -62.2 | 155.6 | 171.9 | 28.8 | -35.8 | 0 | 0 | 0 | 111.5 | D32 Y126 | D32-P117 HydrophobicContact CB-CB 4.07Å; D32-P117 WeakPolarHBondContact OD2-CA 3.3Å; D32-P117 WeakPolarHBondContact OD2-CB 3.01Å; P117-Y126 HydrophobicContact CB-CD1 3.91Å; P117-Y126 HydrophobicContact CB-CD2 4.48Å; P117-Y126 HydrophobicContact CB-CE1 3.8Å; P117-Y126 HydrophobicContact CB-CE2 4.38Å; P117-Y126 HydrophobicContact CB-CG 4.26Å; P117-Y126 HydrophobicContact CG-CD1 3.61Å; P117-Y126 HydrophobicContact CG-CE1 3.33Å; P117-Y126 HydrophobicContact CG-CG 4.43Å | ||
| 118 | C | 98.3 | Very high | 96.9 | Very high | 8 Ų | 8 | 49.6 Ų | 49.6 | 5% | 0.054 | 30% | 0.296 | C | S | . | . | trans | -148.1 | 155.7 | 179.2 | 61.3 | 0 | 0 | 0 | 0 | 111.4 | D32 S34 H120 P127 C129 N233 | D32-C118 PolarHBondContact OD2-N 2.84Å; S34-C118 VanDerWaalsContact C-SG 3.58Å; C118-H120 PolarHBondContact O-CD2 2.81Å; C118-H120 PolarHBondContact O-N 2.81Å; C118-P127 CarbonylContact C-O 3.58Å; C118-P127 VanDerWaalsContact CA-O 3.25Å; C118-P127 WeakPolarHBondContact CA-O 3.41Å; C118-P127 VanDerWaalsContact CB-O 3.3Å; C118-P127 WeakPolarHBondContact CB-O 3.3Å; C118-C129 VanDerWaalsContact C-SG 3.57Å; C118-C129 HydrophobicContact CB-CB 3.93Å; C118-C129 WeakPolarHBondContact CB-SG 3.21Å; C118-C129 WeakPolarHBondContact SG-CA 3.42Å; C118-C129 WeakPolarHBondContact SG-CB 3.45Å; C118-C129 CovalentContact SG-SG 2.04Å; C118-C129 PolarHBondContact SG-SG 3.37Å; C118-N233 PolarHBondContact O-ND2 3.48Å | ||
| 119 | S | 97.9 | Very high | 97 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 4% | 0.035 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -77 | 113.7 | 176.9 | -66.7 | 0 | 0 | 0 | 0 | 110.2 | Y121 I122 G124 Y126 P127 C129 | S119-Y121 PolarHBondContact O-N 2.86Å; S119-I122 WeakPolarHBondContact CB-O 3.29Å; S119-G124 WeakPolarHBondContact OG-CA 3.49Å; S119-G124 PolarHBondContact OG-N 2.75Å; S119-Y126 PolarHBondContact OG-O 2.94Å; S119-P127 PolarHBondContact N-O 3.08Å; S119-C129 PolarHBondContact O-N 3.04Å; S119-C129 PolarHBondContact O-SG 3.42Å |
| 120 | H | 97.6 | Very high | 96.8 | Very high | 8 Ų | 8 | 55.7 Ų | 55.7 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | trans | -85.2 | 105.6 | -179.4 | -69.3 | -93.6 | 0 | 0 | 0 | 110.7 | D32 S34 C118 I122 W232 | D32-H120 IonicContact OD1-CD2 3.95Å; D32-H120 IonicContact OD1-CE1 2.66Å; D32-H120 IonicContact OD1-NE2 3.45Å; D32-H120 PolarHBondContact OD1-NE2 3.46Å; D32-H120 IonicContact OD2-NE2 2.88Å; S34-H120 PolarHBondContact O-CE1 2.88Å; S34-H120 VanDerWaalsContact O-CE1 3.26Å; C118-H120 PolarHBondContact O-CD2 2.81Å; C118-H120 PolarHBondContact O-N 2.81Å; H120-I122 WeakPolarHBondContact O-CG1 3.01Å; H120-I122 PolarHBondContact O-N 3.46Å; H120-W232 HydrophobicContact CB-CB 3.72Å; H120-W232 HydrophobicContact CB-CD2 4.09Å; H120-W232 HydrophobicContact CB-CE3 4.27Å; H120-W232 HydrophobicContact CB-CG 3.86Å; H120-W232 VanDerWaalsContact CD2-CA 3.46Å; H120-W232 WeakPolarHBondContact CD2-CA 2.98Å; H120-W232 AromaticContact CE1-CD1 3.5Å; H120-W232 VanDerWaalsContact CE1-CD1 3.5Å; H120-W232 AromaticContact CG-CD1 3.82Å; H120-W232 AromaticContact CG-CG 3.55Å; H120-W232 AromaticContact ND1-CD1 3.38Å; H120-W232 AromaticContact ND1-CG 3.57Å; H120-W232 AromaticContact ND1-NE1 3.85Å; H120-W232 AromaticContact NE2-CD1 4Å | ||
| 121 | Y | 95.2 | Very high | 96.6 | Very high | 135 Ų | 135 | 58.3 Ų | 58.3 | 53% | 0.529 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 59.2 | 1.2 | 173.1 | -47.8 | -73.9 | 0 | 0 | 0 | 116.9 | S119 L192 W232 | S119-Y121 PolarHBondContact O-N 2.86Å; Y121-L192 HydrophobicContact CD1-CB 4.22Å; Y121-L192 HydrophobicContact CD1-CD1 3.91Å; Y121-L192 HydrophobicContact CD1-CD2 4.49Å; Y121-L192 HydrophobicContact CD1-CG 4.44Å; Y121-L192 HydrophobicContact CD2-CB 4.13Å; Y121-L192 HydrophobicContact CD2-CD2 3.97Å; Y121-L192 HydrophobicContact CE1-CD1 3.86Å; Y121-L192 HydrophobicContact CE1-CD2 4.26Å; Y121-L192 HydrophobicContact CE2-CD2 3.73Å; Y121-L192 HydrophobicContact CG-CB 3.87Å; Y121-L192 HydrophobicContact CG-CD1 4.37Å; Y121-L192 HydrophobicContact CG-CD2 4.34Å; Y121-L192 HydrophobicContact CG-CG 4.42Å; Y121-W232 HydrophobicContact CD2-CE3 4.13Å; Y121-W232 HydrophobicContact CD2-CH2 4.2Å; Y121-W232 AromaticContact CD2-CZ3 3.88Å; Y121-W232 HydrophobicContact CD2-CZ3 3.88Å; Y121-W232 HydrophobicContact CE2-CD2 4.47Å; Y121-W232 HydrophobicContact CE2-CE3 4.26Å; Y121-W232 AromaticContact CE2-CH2 3.76Å; Y121-W232 HydrophobicContact CE2-CH2 3.76Å; Y121-W232 AromaticContact CE2-CZ2 3.96Å; Y121-W232 HydrophobicContact CE2-CZ2 3.96Å; Y121-W232 AromaticContact CE2-CZ3 3.92Å; Y121-W232 HydrophobicContact CE2-CZ3 3.92Å |
| 122 | I | 94.9 | Very high | 96.6 | Very high | 42 Ų | 42 | 62.3 Ų | 62.3 | 22% | 0.215 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -122.5 | 164.2 | 178.1 | 63.3 | 160.5 | 0 | 0 | 0 | 110.2 | S119 H120 E235 | S119-I122 WeakPolarHBondContact CB-O 3.29Å; H120-I122 WeakPolarHBondContact O-CG1 3.01Å; H120-I122 PolarHBondContact O-N 3.46Å; I122-E235 HydrophobicContact CD1-CB 4.05Å; I122-E235 WeakPolarHBondContact CD1-O 3.29Å |
| 123 | S | 93.7 | Very high | 96.6 | Very high | 129 Ų | 129 | 63.8 Ų | 63.8 | 90% | 0.902 | 37% | 0.37 | S | S | * | . | trans | -82.9 | 123.1 | 162.8 | -60.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 124 | G | 93.1 | Very high | 96.5 | Very high | 38 Ų | 38 | 72 Ų | 72 | 39% | 0.392 | 41% | 0.406 | S | S | . | . | trans | -140.5 | -166.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S119 E235 | S119-G124 WeakPolarHBondContact OG-CA 3.49Å; S119-G124 PolarHBondContact OG-N 2.75Å; G124-E235 WeakPolarHBondContact CA-OE2 3.04Å | ||
| 125 | T | 96.9 | Very high | 96.6 | Very high | 117 Ų | 117 | 71.3 Ų | 71.3 | 72% | 0.718 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -81.2 | -21.5 | 179.3 | 64.7 | 0 | 0 | 0 | 0 | 112.5 | E235 | T125-E235 VanDerWaalsContact CB-OE1 3.23Å; T125-E235 WeakPolarHBondContact CB-OE1 3.22Å; T125-E235 WeakPolarHBondContact CG2-OE1 3.36Å; T125-E235 PolarHBondContact N-OE1 3.29Å; T125-E235 PolarHBondContact N-OE2 3.4Å; T125-E235 PolarHBondContact OG1-OE1 2.75Å |
| 126 | Y | 96.8 | Very high | 96.6 | Very high | 89 Ų | 89 | 72 Ų | 72 | 35% | 0.349 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -83.1 | 158.5 | 176.6 | -58.1 | -71.8 | 0 | 0 | 0 | 112.3 | P117 S119 E235 | P117-Y126 HydrophobicContact CB-CD1 3.91Å; P117-Y126 HydrophobicContact CB-CD2 4.48Å; P117-Y126 HydrophobicContact CB-CE1 3.8Å; P117-Y126 HydrophobicContact CB-CE2 4.38Å; P117-Y126 HydrophobicContact CB-CG 4.26Å; P117-Y126 HydrophobicContact CG-CD1 3.61Å; P117-Y126 HydrophobicContact CG-CE1 3.33Å; P117-Y126 HydrophobicContact CG-CG 4.43Å; S119-Y126 PolarHBondContact OG-O 2.94Å; Y126-E235 HydrophobicContact CE2-CG 4.32Å |
| 127 | P | 97 | Very high | 96.6 | Very high | 92 Ų | 92 | 75.1 Ų | 75.1 | 60% | 0.597 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 148.8 | 167.1 | -21.6 | 33.6 | 0 | 0 | 0 | 111.3 | C118 S119 | C118-P127 CarbonylContact C-O 3.58Å; C118-P127 VanDerWaalsContact CA-O 3.25Å; C118-P127 WeakPolarHBondContact CA-O 3.41Å; C118-P127 VanDerWaalsContact CB-O 3.3Å; C118-P127 WeakPolarHBondContact CB-O 3.3Å; S119-P127 PolarHBondContact N-O 3.08Å |
| 128 | P | 97.3 | Very high | 96.6 | Very high | 80 Ų | 80 | 75.8 Ų | 75.8 | 52% | 0.519 | 43% | 0.431 | S | S | . | . | B | Isolated β-bridge | trans | -58.8 | 143.7 | 174.4 | -22.6 | 32.3 | 0 | 0 | 0 | 111.9 | K130 | P128-K130 PolarHBondContact O-N 3.45Å |
| 129 | C | 97.4 | Very high | 96.5 | Very high | 32 Ų | 32 | 78.9 Ų | 78.9 | 22% | 0.216 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 119.5 | 173.7 | -58.8 | 0 | 0 | 0 | 0 | 110.4 | N35 C118 S119 | N35-C129 HydrophobicContact CB-CB 3.98Å; C118-C129 VanDerWaalsContact C-SG 3.57Å; C118-C129 HydrophobicContact CB-CB 3.93Å; C118-C129 WeakPolarHBondContact CB-SG 3.21Å; C118-C129 WeakPolarHBondContact SG-CA 3.42Å; C118-C129 WeakPolarHBondContact SG-CB 3.45Å; C118-C129 CovalentContact SG-SG 2.04Å; C118-C129 PolarHBondContact SG-SG 3.37Å; S119-C129 PolarHBondContact O-N 3.04Å; S119-C129 PolarHBondContact O-SG 3.42Å |
| 130 | K | 93.9 | Very high | 96.5 | Very high | 162 Ų | 162 | 85.6 Ų | 85.6 | 70% | 0.704 | 48% | 0.478 | S | S | * | . | trans | -142.2 | 140.8 | -176.9 | -68.9 | -178.9 | -175.9 | -178.4 | 0 | 110.9 | P128 | P128-K130 PolarHBondContact O-N 3.45Š| ||
| 131 | G | 94 | Very high | 96.5 | Very high | 55 Ų | 55 | 93 Ų | 93 | 57% | 0.567 | 51% | 0.51 | S | S | * | . | S | Bend | trans | 66.5 | 117.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N35 Q133 | N35-G131 PolarHBondContact ND2-N 3.21Å; N35-G131 VanDerWaalsContact ND2-N 3.16Å; N35-G131 PolarHBondContact ND2-O 2.87Å; G131-Q133 PolarHBondContact O-N 3.01Å |
| 132 | L | 96.5 | Very high | 96.6 | Very high | 105 Ų | 105 | 87.9 Ų | 87.9 | 55% | 0.55 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 126.2 | -179.9 | -173 | 69.3 | 0 | 0 | 0 | 109.2 | N35 E82 | N35-L132 PolarHBondContact ND2-N 2.86Å; N35-L132 WeakPolarHBondContact O-CA 3.49Å; E82-L132 HydrophobicContact CG-CD2 3.85Å |
| 133 | Q | 97.6 | Very high | 96.7 | Very high | 58 Ų | 58 | 87.9 Ų | 87.9 | 27% | 0.271 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 140 | 177.4 | -64.1 | -61.7 | -33.6 | 0 | 0 | 109.7 | N35 C36 C81 F115 G131 | N35-Q133 WeakPolarHBondContact O-CG 3.23Å; N35-Q133 PolarHBondContact O-N 2.97Å; C36-Q133 HydrophobicContact CB-CB 4Å; C36-Q133 HydrophobicContact CB-CG 4.39Å; C81-Q133 WeakPolarHBondContact CB-O 3.38Å; C81-Q133 PolarHBondContact SG-O 3.5Å; F115-Q133 HydrophobicContact CB-CG 4.34Å; F115-Q133 HydrophobicContact CD1-CB 3.97Å; F115-Q133 HydrophobicContact CD1-CG 3.82Å; F115-Q133 HydrophobicContact CD2-CB 4.21Å; F115-Q133 HydrophobicContact CD2-CG 4.24Å; F115-Q133 HydrophobicContact CE1-CB 3.75Å; F115-Q133 HydrophobicContact CE1-CG 4.13Å; F115-Q133 HydrophobicContact CE2-CB 4Å; F115-Q133 HydrophobicContact CG-CB 4.2Å; F115-Q133 HydrophobicContact CG-CG 3.88Å; F115-Q133 HydrophobicContact CZ-CB 3.75Å; F115-Q133 HydrophobicContact CZ-CG 4.46Å; G131-Q133 PolarHBondContact O-N 3.01Å |
| 134 | K | 98 | Very high | 96.7 | Very high | 186 Ų | 186 | 91.8 Ų | 91.8 | 81% | 0.809 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 131.3 | 174.3 | -175.1 | 178 | 180 | 178.1 | 0 | 109.5 | F115 | F115-K134 WeakPolarHBondContact CZ-O 3.38Š|
| 135 | T | 98.5 | Very high | 96.7 | Very high | 42 Ų | 42 | 94 Ų | 94 | 26% | 0.258 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -50.2 | 124.6 | 173.6 | -54.9 | 0 | 0 | 0 | 0 | 110.3 | L70 W79 C81 | L70-T135 HydrophobicContact CD1-CG2 4.49Å; W79-T135 PolarHBondContact O-OG1 3.14Å; C81-T135 PolarHBondContact N-OG1 3.29Å |
| 136 | P | 97.8 | Very high | 96.6 | Very high | 36 Ų | 36 | 90.5 Ų | 90.5 | 23% | 0.234 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 150.7 | 179.4 | -16.1 | 29.6 | 0 | 0 | 0 | 111 | L70 A71 P114 F115 | L70-P136 HydrophobicContact CD2-CG 4.49Å; A71-P136 HydrophobicContact CB-CB 4.25Å; A71-P136 WeakPolarHBondContact CB-O 3.37Å; P114-P136 HydrophobicContact CG-CG 3.73Å; F115-P136 HydrophobicContact CE1-CG 4.36Å; F115-P136 HydrophobicContact CE2-CG 4.15Å; F115-P136 HydrophobicContact CZ-CG 3.6Å |
| 137 | T | 97.6 | Very high | 96.4 | Very high | 122 Ų | 122 | 93.7 Ų | 93.7 | 75% | 0.748 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 136.4 | 172.3 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | T139 | T137-T139 PolarHBondContact O-N 2.7Š|
| 138 | C | 98.1 | Very high | 96.3 | Very high | 51 Ų | 51 | 92.7 Ų | 92.7 | 35% | 0.345 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 121.8 | 171.6 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | A71 C72 | A71-C138 WeakPolarHBondContact O-CB 3.14Å; C72-C138 VanDerWaalsContact CA-SG 3.53Å; C72-C138 HydrophobicContact CB-CB 3.94Å; C72-C138 WeakPolarHBondContact CB-SG 3.45Å; C72-C138 VanDerWaalsContact SG-CA 3.52Å; C72-C138 WeakPolarHBondContact SG-CB 3.42Å; C72-C138 CovalentContact SG-SG 2.05Å; C72-C138 PolarHBondContact SG-SG 2.89Å |
| 139 | T | 97 | Very high | 96.3 | Very high | 73 Ų | 73 | 93.1 Ų | 93.1 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | trans | -127.4 | 118.9 | 173.5 | 51.7 | 0 | 0 | 0 | 0 | 109.5 | K111 T137 K141 | K111-T139 WeakPolarHBondContact CE-O 3.44Å; K111-T139 PolarHBondContact NZ-O 3.16Å; K111-T139 PolarHBondContact NZ-OG1 3.28Å; T137-T139 PolarHBondContact O-N 2.7Å; T139-K141 PolarHBondContact O-N 2.79Å | ||
| 140 | K | 97.5 | Very high | 96.3 | Very high | 146 Ų | 146 | 96.2 Ų | 96.2 | 64% | 0.635 | 51% | 0.509 | S | S | * | . | trans | -84.6 | 55.3 | 178.9 | -64.8 | -174.6 | 178 | -179 | 0 | 111.4 | Y151 | K140-Y151 VanDerWaalsContact C-CG 3.41Å; K140-Y151 HydrophobicContact CB-CD1 3.76Å; K140-Y151 HydrophobicContact CB-CE1 3.64Å; K140-Y151 HydrophobicContact CB-CG 4.29Å; K140-Y151 HydrophobicContact CD-CE1 4.26Å; K140-Y151 HydrophobicContact CG-CD1 4.38Å; K140-Y151 HydrophobicContact CG-CE1 3.75Å | ||
| 141 | K | 97.5 | Very high | 96.5 | Very high | 162 Ų | 162 | 89.5 Ų | 89.5 | 70% | 0.704 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -144.8 | 142.5 | -179.3 | -66.7 | -172.8 | 178.8 | -178 | 0 | 109.7 | T139 | T139-K141 PolarHBondContact O-N 2.79Š|
| 142 | C | 97.9 | Very high | 96.6 | Very high | 29 Ų | 29 | 90.3 Ų | 90.3 | 20% | 0.196 | 48% | 0.481 | C | S | . | . | trans | -74.9 | 161 | 171.9 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | C110 Y146 Y151 | C110-C142 HydrophobicContact CB-CB 3.85Å; C110-C142 WeakPolarHBondContact CB-SG 3.27Å; C110-C142 CarbonylContact O-C 3.56Å; C110-C142 VanDerWaalsContact O-CA 3.25Å; C110-C142 WeakPolarHBondContact O-CA 3.3Å; C110-C142 WeakPolarHBondContact SG-CA 3.28Å; C110-C142 WeakPolarHBondContact SG-CB 3.35Å; C110-C142 CovalentContact SG-SG 2.03Å; C110-C142 PolarHBondContact SG-SG 2.96Å; C142-Y146 HydrophobicContact CB-CD1 3.86Å; C142-Y151 VanDerWaalsContact SG-CA 3.55Å; C142-Y151 PolarHBondContact SG-N 3.27Å; C142-Y151 VanDerWaalsContact SG-N 3.4Å | ||
| 143 | S | 95.9 | Very high | 96.6 | Very high | 42 Ų | 42 | 88.7 Ų | 88.7 | 29% | 0.294 | 48% | 0.478 | S | S | . | . | trans | -54.8 | 144.9 | 168.2 | 178.7 | 0 | 0 | 0 | 0 | 109.9 | C110 T145 Y146 | C110-S143 PolarHBondContact O-N 3.38Å; S143-T145 PolarHBondContact O-N 3.47Å; S143-T145 VanDerWaalsContact O-N 3.14Å; S143-T145 PolarHBondContact OG-N 3.35Å; S143-T145 PolarHBondContact OG-OG1 2.83Å; S143-Y146 PolarHBondContact O-N 2.89Å | ||
| 144 | K | 94.1 | Very high | 96.7 | Very high | 211 Ų | 211 | 86 Ų | 86 | 92% | 0.917 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22.4 | 175.7 | -65 | -176.1 | 179.3 | -179.1 | 0 | 113.1 | Y146 | K144-Y146 VanDerWaalsContact C-N 3.27Š|
| 145 | T | 92.6 | Very high | 96.6 | Very high | 85 Ų | 85 | 78.5 Ų | 78.5 | 52% | 0.521 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -3.4 | 177.7 | 60.3 | 0 | 0 | 0 | 0 | 113.1 | S143 | S143-T145 PolarHBondContact O-N 3.47Å; S143-T145 VanDerWaalsContact O-N 3.14Å; S143-T145 PolarHBondContact OG-N 3.35Å; S143-T145 PolarHBondContact OG-OG1 2.83Å |
| 146 | Y | 96.1 | Very high | 96.6 | Very high | 43 Ų | 43 | 78.2 Ų | 78.2 | 17% | 0.169 | 43% | 0.427 | C | S | . | . | trans | -108.9 | 108.4 | 178.5 | -174.4 | -107.7 | 0 | 0 | 0 | 109.5 | G109 C110 C142 S143 K144 A148 K149 D154 | G109-Y146 VanDerWaalsContact C-CD2 3.44Å; C110-Y146 HydrophobicContact CB-CD1 3.92Å; C110-Y146 HydrophobicContact CB-CE1 3.88Å; C142-Y146 HydrophobicContact CB-CD1 3.86Å; S143-Y146 PolarHBondContact O-N 2.89Å; K144-Y146 VanDerWaalsContact C-N 3.27Å; Y146-A148 HydrophobicContact CE1-CB 4.45Å; Y146-A148 HydrophobicContact CE2-CB 3.87Å; Y146-K149 WeakPolarHBondContact CD1-O 3.47Å; Y146-K149 HydrophobicContact CE1-CB 4.02Å; Y146-K149 VanDerWaalsContact CE1-O 3.3Å; Y146-K149 WeakPolarHBondContact CE1-O 3.39Å; Y146-D154 HydrophobicContact CE1-CB 4.43Å; Y146-D154 PolarHBondContact OH-OD1 2.81Å | ||
| 147 | D | 92.8 | Very high | 96.5 | Very high | 155 Ų | 155 | 81.4 Ų | 81.4 | 83% | 0.829 | 44% | 0.436 | S | S | * | . | trans | -109.5 | -8.1 | -175.4 | 59.9 | -11.6 | 0 | 0 | 0 | 113.5 | K149 | D147-K149 PolarHBondContact O-N 3.37Š| ||
| 148 | A | 95.1 | Very high | 96.5 | Very high | 71 Ų | 71 | 75.9 Ų | 75.9 | 59% | 0.587 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -67.1 | -38.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y146 | Y146-A148 HydrophobicContact CE1-CB 4.45Å; Y146-A148 HydrophobicContact CE2-CB 3.87Å |
| 149 | K | 96.2 | Very high | 96.5 | Very high | 90 Ų | 90 | 76.7 Ų | 76.7 | 39% | 0.391 | 41% | 0.409 | S | S | . | . | trans | -150.8 | 152.4 | -178.4 | -61.9 | -175.6 | -174.1 | 175.6 | 0 | 110.9 | Y146 D147 S153 D154 | Y146-K149 WeakPolarHBondContact CD1-O 3.47Å; Y146-K149 HydrophobicContact CE1-CB 4.02Å; Y146-K149 VanDerWaalsContact CE1-O 3.3Å; Y146-K149 WeakPolarHBondContact CE1-O 3.39Å; D147-K149 PolarHBondContact O-N 3.37Å; K149-S153 WeakPolarHBondContact CD-O 3.42Å; K149-D154 HydrophobicContact CB-CB 4.06Å; K149-D154 HydrophobicContact CD-CB 4.36Å | ||
| 150 | D | 97 | Very high | 96.5 | Very high | 96 Ų | 96 | 74.8 Ų | 74.8 | 51% | 0.513 | 40% | 0.401 | S | S | . | . | trans | -77 | 171 | 165.6 | 70.4 | 27 | 0 | 0 | 0 | 112 | A152 S153 D154 | D150-A152 VanDerWaalsContact C-N 3.27Å; D150-A152 PolarHBondContact O-N 2.88Å; D150-A152 PolarHBondContact OD1-N 2.79Å; D150-A152 VanDerWaalsContact OD1-N 3.13Å; D150-S153 PolarHBondContact O-N 3.49Å; D150-S153 WeakPolarHBondContact OD1-CB 3.24Å; D150-S153 PolarHBondContact OD1-N 3.22Å; D150-S153 PolarHBondContact OD1-OG 2.91Å; D150-D154 WeakPolarHBondContact O-CB 3.46Å; D150-D154 PolarHBondContact O-N 3.07Å | ||
| 151 | Y | 98 | Very high | 96.6 | Very high | 22 Ų | 22 | 68.9 Ų | 68.9 | 9% | 0.086 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -35.1 | -176 | -179.4 | -88.5 | 0 | 0 | 0 | 113.3 | D68 V99 K111 K140 C142 K155 | D68-Y151 VanDerWaalsContact CG-OH 3.31Å; D68-Y151 VanDerWaalsContact OD1-CE2 3.25Å; D68-Y151 WeakPolarHBondContact OD1-CE2 3.46Å; D68-Y151 PolarHBondContact OD1-OH 2.04Å; D68-Y151 PolarHBondContact OD2-OH 3.47Å; V99-Y151 HydrophobicContact CG1-CD2 3.71Å; V99-Y151 HydrophobicContact CG1-CE2 3.67Å; V99-Y151 HydrophobicContact CG1-CG 4.18Å; V99-Y151 WeakPolarHBondContact CG1-O 3.37Å; V99-Y151 HydrophobicContact CG2-CD2 4.4Å; V99-Y151 HydrophobicContact CG2-CE2 4.07Å; K111-Y151 HydrophobicContact CD-CD2 4.19Å; K111-Y151 HydrophobicContact CD-CE2 3.84Å; K140-Y151 VanDerWaalsContact C-CG 3.41Å; K140-Y151 HydrophobicContact CB-CD1 3.76Å; K140-Y151 HydrophobicContact CB-CE1 3.64Å; K140-Y151 HydrophobicContact CB-CG 4.29Å; K140-Y151 HydrophobicContact CD-CE1 4.26Å; K140-Y151 HydrophobicContact CG-CD1 4.38Å; K140-Y151 HydrophobicContact CG-CE1 3.75Å; C142-Y151 VanDerWaalsContact SG-CA 3.55Å; C142-Y151 PolarHBondContact SG-N 3.27Å; C142-Y151 VanDerWaalsContact SG-N 3.4Å; Y151-K155 VanDerWaalsContact CE1-CE 3.44Å; Y151-K155 PolarHBondContact OH-NZ 2.77Å |
| 152 | A | 97.2 | Very high | 96.6 | Very high | 72 Ų | 72 | 63.7 Ų | 63.7 | 60% | 0.595 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -35.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D150 | D150-A152 VanDerWaalsContact C-N 3.27Å; D150-A152 PolarHBondContact O-N 2.88Å; D150-A152 PolarHBondContact OD1-N 2.79Å; D150-A152 VanDerWaalsContact OD1-N 3.13Å |
| 153 | S | 97 | Very high | 96.6 | Very high | 71 Ų | 71 | 66.9 Ų | 66.9 | 50% | 0.497 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -17.3 | -178 | -53.3 | 0 | 0 | 0 | 0 | 113.2 | K149 D150 K155 | K149-S153 WeakPolarHBondContact CD-O 3.42Å; D150-S153 PolarHBondContact O-N 3.49Å; D150-S153 WeakPolarHBondContact OD1-CB 3.24Å; D150-S153 PolarHBondContact OD1-N 3.22Å; D150-S153 PolarHBondContact OD1-OG 2.91Å; S153-K155 VanDerWaalsContact C-N 3.31Å |
| 154 | D | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 7.6 | 179.6 | -158.6 | 63.9 | 0 | 0 | 0 | 114.3 | V99 T100 C110 Y146 K149 D150 Y156 | V99-D154 WeakPolarHBondContact CA-O 3.42Å; V99-D154 HydrophobicContact CB-CB 4.28Å; V99-D154 HydrophobicContact CG1-CB 4.16Å; T100-D154 WeakPolarHBondContact CB-OD2 3.29Å; T100-D154 PolarHBondContact N-OD2 2.94Å; T100-D154 PolarHBondContact OG1-OD2 3.49Å; C110-D154 HydrophobicContact CB-CB 4.18Å; C110-D154 WeakPolarHBondContact CB-OD2 3.38Å; Y146-D154 HydrophobicContact CE1-CB 4.43Å; Y146-D154 PolarHBondContact OH-OD1 2.81Å; K149-D154 HydrophobicContact CB-CB 4.06Å; K149-D154 HydrophobicContact CD-CB 4.36Å; D150-D154 WeakPolarHBondContact O-CB 3.46Å; D150-D154 PolarHBondContact O-N 3.07Å; D154-Y156 VanDerWaalsContact O-CD2 3.32Å; D154-Y156 WeakPolarHBondContact O-CD2 3.43Å |
| 155 | K | 97.3 | Very high | 96.8 | Very high | 30 Ų | 30 | 59.2 Ų | 59.2 | 13% | 0.13 | 34% | 0.341 | C | S | . | . | trans | -78.1 | 138.1 | -174.2 | -74.9 | -58.6 | -166.8 | 169 | 0 | 114 | D68 S97 V99 Y151 S153 Y157 | D68-K155 IonicContact OD2-NZ 2.87Å; D68-K155 PolarHBondContact OD2-NZ 2.83Å; S97-K155 PolarHBondContact O-NZ 3.46Å; S97-K155 VanDerWaalsContact OG-CB 3.3Å; S97-K155 WeakPolarHBondContact OG-CB 3.45Å; S97-K155 WeakPolarHBondContact OG-CD 3.46Å; S97-K155 VanDerWaalsContact OG-CG 3.29Å; S97-K155 WeakPolarHBondContact OG-CG 3.49Å; V99-K155 HydrophobicContact CG1-CD 3.56Å; V99-K155 HydrophobicContact CG1-CG 4.3Å; Y151-K155 VanDerWaalsContact CE1-CE 3.44Å; Y151-K155 PolarHBondContact OH-NZ 2.77Å; S153-K155 VanDerWaalsContact C-N 3.31Å; K155-Y157 HydrophobicContact CB-CE2 3.75Å | ||
| 156 | Y | 97.9 | Very high | 97 | Very high | 35 Ų | 35 | 58.3 Ų | 58.3 | 14% | 0.137 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -117 | 122.1 | 172.9 | -71.7 | -101.1 | 0 | 0 | 0 | 110 | I52 P62 I64 W93 S97 L98 T100 D154 F262 | I52-Y156 HydrophobicContact CD1-CD1 3.92Å; I52-Y156 HydrophobicContact CD1-CG 4.21Å; I52-Y156 HydrophobicContact CG2-CD1 4.27Å; I52-Y156 HydrophobicContact CG2-CE1 4.47Å; P62-Y156 HydrophobicContact CB-CD1 4.22Å; P62-Y156 HydrophobicContact CB-CD2 4.36Å; P62-Y156 HydrophobicContact CB-CE1 3.74Å; P62-Y156 HydrophobicContact CB-CE2 3.96Å; P62-Y156 HydrophobicContact CG-CD1 3.87Å; P62-Y156 HydrophobicContact CG-CE1 3.62Å; P62-Y156 HydrophobicContact CG-CG 4.46Å; I64-Y156 HydrophobicContact CD1-CD2 4.1Å; I64-Y156 HydrophobicContact CD1-CG 3.97Å; W93-Y156 PolarHBondContact NE1-O 2.7Å; S97-Y156 WeakPolarHBondContact CA-O 3.46Å; S97-Y156 VanDerWaalsContact CB-O 3.24Å; S97-Y156 WeakPolarHBondContact CB-O 3.13Å; L98-Y156 PolarHBondContact N-O 3.02Å; L98-Y156 VanDerWaalsContact N-O 3.16Å; L98-Y156 PolarHBondContact O-N 3.39Å; T100-Y156 HydrophobicContact CG2-CD2 4.18Å; T100-Y156 HydrophobicContact CG2-CE2 3.56Å; D154-Y156 VanDerWaalsContact O-CD2 3.32Å; D154-Y156 WeakPolarHBondContact O-CD2 3.43Å; Y156-F262 HydrophobicContact CD1-CE2 4.22Å; Y156-F262 HydrophobicContact CD1-CZ 4.5Å |
| 157 | Y | 96.8 | Very high | 97 | Very high | 103 Ų | 103 | 57.6 Ų | 57.6 | 40% | 0.404 | 34% | 0.344 | S | S | . | . | trans | -98.1 | 136.8 | -171.2 | -65.7 | -98.4 | 0 | 0 | 0 | 112 | S97 K155 F262 G263 | S97-Y157 WeakPolarHBondContact OG-CE1 3.48Å; K155-Y157 HydrophobicContact CB-CE2 3.75Å; Y157-F262 WeakPolarHBondContact O-CD2 3.41Å; Y157-G263 PolarHBondContact O-N 3.05Å | ||
| 158 | G | 97.2 | Very high | 97.1 | Very high | 7 Ų | 7 | 53 Ų | 53 | 7% | 0.072 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 145.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | W93 L261 | W93-G158 VanDerWaalsContact CE2-N 3.25Å; G158-L261 CarbonylContact C-O 3.6Å; G158-L261 WeakPolarHBondContact CA-O 3.43Å |
| 159 | S | 97.3 | Very high | 97.1 | Very high | 67 Ų | 67 | 52.7 Ų | 52.7 | 47% | 0.469 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -26.4 | 171.5 | 52.1 | 0 | 0 | 0 | 0 | 112.7 | L261 F262 | S159-L261 PolarHBondContact N-O 3.37Å; S159-L261 WeakPolarHBondContact OG-CB 3.3Å; S159-L261 PolarHBondContact OG-O 3.02Å; S159-F262 PolarHBondContact OG-O 3.26Å; S159-F262 VanDerWaalsContact OG-O 3.07Å |
| 160 | A | 97.7 | Very high | 97.1 | Very high | 33 Ų | 33 | 52.5 Ų | 52.5 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 149.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V94 Y162 G260 L261 | V94-A160 VanDerWaalsContact CG2-C 3.42Å; A160-Y162 HydrophobicContact CB-CD1 4.46Å; A160-G260 CarbonylContact O-C 3.54Å; A160-G260 WeakPolarHBondContact O-CA 3.29Å; A160-L261 HydrophobicContact CB-CB 4.45Å; A160-L261 PolarHBondContact O-N 3.25Å |
| 161 | A | 98.2 | Very high | 97.1 | Very high | 23 Ų | 23 | 47.9 Ų | 47.9 | 19% | 0.19 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 140.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y87 W90 V91 V94 | Y87-A161 HydrophobicContact CE2-CB 4.47Å; W90-A161 VanDerWaalsContact C-CB 3.46Å; W90-A161 HydrophobicContact CB-CB 3.63Å; V91-A161 HydrophobicContact CG2-CB 4.25Å; V94-A161 HydrophobicContact CG2-CB 3.82Å |
| 162 | Y | 98.4 | Very high | 97.1 | Very high | 52 Ų | 52 | 47.5 Ų | 47.5 | 20% | 0.204 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 154.9 | -177.8 | 48.7 | -94 | 0 | 0 | 0 | 112.4 | R51 A160 I164 E174 G259 L261 | R51-Y162 PolarHBondContact NH1-OH 3.09Å; A160-Y162 HydrophobicContact CB-CD1 4.46Å; Y162-I164 HydrophobicContact CD2-CG1 4.22Å; Y162-I164 HydrophobicContact CE2-CG1 4.07Å; Y162-E174 WeakPolarHBondContact CE2-OE1 3.27Å; Y162-E174 PolarHBondContact OH-OE1 2.92Å; Y162-G259 PolarHBondContact N-O 2.99Å; Y162-G259 PolarHBondContact O-N 2.94Å; Y162-L261 HydrophobicContact CE1-CD2 4.48Å; Y162-L261 HydrophobicContact CE1-CG 4.08Å |
| 163 | M | 98.3 | Very high | 97.1 | Very high | 97 Ų | 97 | 44.5 Ų | 44.5 | 48% | 0.478 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 133 | 164.8 | -69.6 | -65.9 | -72.4 | 0 | 0 | 109.4 | Y87 A258 | Y87-M163 HydrophobicContact CD2-CG 3.86Å; Y87-M163 HydrophobicContact CD2-SD 3.75Å; Y87-M163 HydrophobicContact CE2-CG 4.19Å; Y87-M163 HydrophobicContact CG-CG 4.13Å; Y87-M163 HydrophobicContact CG-SD 3.78Å; M163-A258 HydrophobicContact SD-CB 4.38Å |
| 164 | I | 97.9 | Very high | 97.1 | Very high | 11 Ų | 11 | 42.1 Ų | 42.1 | 6% | 0.056 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 124.5 | 176.1 | -57.4 | 154.2 | 0 | 0 | 0 | 107.4 | Y162 K171 E174 F181 C257 | Y162-I164 HydrophobicContact CD2-CG1 4.22Å; Y162-I164 HydrophobicContact CE2-CG1 4.07Å; I164-K171 HydrophobicContact CG2-CD 3.83Å; I164-K171 PolarHBondContact O-NZ 3.39Å; I164-E174 HydrophobicContact CD1-CG 3.67Å; I164-E174 HydrophobicContact CG1-CG 3.88Å; I164-E174 HydrophobicContact CG2-CB 4.05Å; I164-E174 HydrophobicContact CG2-CG 4.16Å; I164-F181 HydrophobicContact CD1-CB 3.81Å; I164-F181 HydrophobicContact CD1-CD1 3.99Å; I164-F181 HydrophobicContact CD1-CD2 3.42Å; I164-F181 VanDerWaalsContact CD1-CD2 3.42Å; I164-F181 HydrophobicContact CD1-CE1 4.38Å; I164-F181 HydrophobicContact CD1-CE2 3.91Å; I164-F181 HydrophobicContact CD1-CG 3.47Å; I164-F181 VanDerWaalsContact CD1-CG 3.47Å; I164-F181 HydrophobicContact CD1-CZ 4.35Å; I164-C257 HydrophobicContact CB-CB 4.13Å; I164-C257 HydrophobicContact CD1-CB 3.81Å; I164-C257 HydrophobicContact CG1-CB 4.5Å; I164-C257 PolarHBondContact N-O 2.05Å |
| 165 | S | 96.4 | Very high | 97.1 | Very high | 80 Ų | 80 | 42.1 Ų | 42.1 | 56% | 0.559 | 23% | 0.227 | S | C | * | . | P | Polyproline II helix | trans | -51.6 | 150.1 | 178.4 | -57.4 | 0 | 0 | 0 | 0 | 112.3 | R170 K171 | S165-R170 WeakPolarHBondContact O-CB 3.31Å; S165-K171 WeakPolarHBondContact O-CE 3.17Å; S165-K171 PolarHBondContact O-NZ 3.1Å |
| 166 | S | 95.8 | Very high | 97.1 | Very high | 66 Ų | 66 | 42.9 Ų | 42.9 | 46% | 0.462 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -69.8 | 161.6 | -177.7 | 60.3 | 0 | 0 | 0 | 0 | 113.2 | E254 Q255 | S166-E254 WeakPolarHBondContact CA-O 3.49Å; S166-E254 VanDerWaalsContact CB-O 3.27Å; S166-E254 WeakPolarHBondContact CB-O 3.18Å; S166-Q255 VanDerWaalsContact CB-OE1 3.27Å |
| 167 | G | 95.8 | Very high | 97 | Very high | 28 Ų | 28 | 45.3 Ų | 45.3 | 29% | 0.289 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 99.4 | 144.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R169 R170 K171 E254 | G167-R169 PolarHBondContact O-N 3.37Å; G167-R170 PolarHBondContact O-N 3.36Å; G167-K171 PolarHBondContact O-N 3.02Å; G167-E254 PolarHBondContact N-O 3.43Å; G167-E254 VanDerWaalsContact N-O 3.1Å |
| 168 | E | 96.4 | Very high | 97 | Very high | 58 Ų | 58 | 43.8 Ų | 43.8 | 27% | 0.271 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -46.5 | -53.4 | -173.1 | 178.6 | -177.5 | 173.2 | 0 | 0 | 113.7 | R170 K171 Q172 W226 R246 G247 | E168-R170 VanDerWaalsContact C-N 3.28Å; E168-R170 PolarHBondContact O-N 3.21Å; E168-K171 WeakPolarHBondContact O-CB 3.28Å; E168-K171 PolarHBondContact O-N 3.29Å; E168-K171 VanDerWaalsContact O-N 3.1Å; E168-Q172 WeakPolarHBondContact O-CG 3.36Å; E168-Q172 PolarHBondContact O-N 2.9Å; E168-W226 HydrophobicContact CB-CZ2 4.29Å; E168-W226 HydrophobicContact CG-CH2 4.17Å; E168-W226 HydrophobicContact CG-CZ2 3.84Å; E168-R246 HydrophobicContact CG-CG 3.84Å; E168-R246 WeakPolarHBondContact OE1-CD 3.32Å; E168-R246 WeakPolarHBondContact OE1-CG 3.41Å; E168-R246 IonicContact OE1-CZ 3.64Å; E168-R246 IonicContact OE1-NE 3.55Å; E168-R246 IonicContact OE1-NH1 3.65Å; E168-R246 PolarHBondContact OE1-NH1 2.84Å; E168-G247 WeakPolarHBondContact OE2-CA 3.1Å |
| 169 | R | 95 | Very high | 97.1 | Very high | 66 Ų | 66 | 43.5 Ų | 43.5 | 25% | 0.249 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.4 | -36.4 | -175.5 | -175.7 | 161.9 | 178.8 | -111.7 | -24.9 | 112.8 | T4 T5 G167 Q172 E173 | T4-R169 PolarHBondContact O-NH1 2.74Å; T4-R169 PolarHBondContact O-NH2 2.99Å; T4-R169 PolarHBondContact OG1-NH1 3.49Å; T5-R169 VanDerWaalsContact CG2-NH1 3.34Å; T5-R169 VanDerWaalsContact N-NH1 3.17Å; G167-R169 PolarHBondContact O-N 3.37Å; R169-Q172 PolarHBondContact O-N 2.87Å; R169-E173 HydrophobicContact CG-CG 4.43Å; R169-E173 IonicContact CZ-OE1 3.36Å; R169-E173 IonicContact NE-OE1 2.75Å; R169-E173 PolarHBondContact NE-OE1 3.35Å; R169-E173 IonicContact NH2-OE1 3.29Å; R169-E173 PolarHBondContact NH2-OE1 3.27Å; R169-E173 VanDerWaalsContact O-CG 3.3Å; R169-E173 WeakPolarHBondContact O-CG 3.49Å; R169-E173 PolarHBondContact O-N 2.85Å |
| 170 | R | 95.5 | Very high | 97.1 | Very high | 85 Ų | 85 | 40.3 Ų | 40.3 | 32% | 0.321 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.3 | -38.8 | 177.8 | -64.7 | -52 | -161.4 | 172.7 | 14.3 | 111.8 | S165 G167 E168 Q172 E173 E174 | S165-R170 WeakPolarHBondContact O-CB 3.31Å; G167-R170 PolarHBondContact O-N 3.36Å; E168-R170 VanDerWaalsContact C-N 3.28Å; E168-R170 PolarHBondContact O-N 3.21Å; R170-Q172 VanDerWaalsContact C-N 3.33Å; R170-E173 WeakPolarHBondContact CD-OE2 3.31Å; R170-E173 IonicContact CZ-OE2 3.85Å; R170-E173 IonicContact NH1-OE2 2.86Å; R170-E173 PolarHBondContact NH1-OE2 2.96Å; R170-E173 PolarHBondContact O-N 2.87Å; R170-E174 WeakPolarHBondContact O-CB 3.1Å; R170-E174 PolarHBondContact O-N 3.14Å |
| 171 | K | 97.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.9 | -39.1 | 174.7 | -56.3 | -40.5 | 178.6 | -174.8 | 0 | 111.2 | I164 S165 G167 E168 L175 F181 W226 E254 Q255 C257 | I164-K171 HydrophobicContact CG2-CD 3.83Å; I164-K171 PolarHBondContact O-NZ 3.39Å; S165-K171 WeakPolarHBondContact O-CE 3.17Å; S165-K171 PolarHBondContact O-NZ 3.1Å; G167-K171 PolarHBondContact O-N 3.02Å; E168-K171 WeakPolarHBondContact O-CB 3.28Å; E168-K171 PolarHBondContact O-N 3.29Å; E168-K171 VanDerWaalsContact O-N 3.1Å; K171-L175 WeakPolarHBondContact O-CB 3.31Å; K171-L175 PolarHBondContact O-N 2.82Å; K171-L175 VanDerWaalsContact O-N 3.11Å; K171-F181 HydrophobicContact CB-CZ 3.9Å; K171-F181 HydrophobicContact CD-CE2 4.29Å; K171-F181 HydrophobicContact CD-CZ 4.1Å; K171-F181 HydrophobicContact CG-CZ 4.39Å; K171-F181 WeakPolarHBondContact O-CE1 3.42Å; K171-W226 HydrophobicContact CB-CH2 3.58Å; K171-W226 HydrophobicContact CB-CZ2 3.95Å; K171-W226 HydrophobicContact CB-CZ3 4.31Å; K171-W226 HydrophobicContact CG-CZ2 4.48Å; K171-E254 WeakPolarHBondContact CE-O 3.46Å; K171-E254 HydrophobicContact CG-CG 4.4Å; K171-E254 PolarHBondContact NZ-O 3.13Å; K171-Q255 PolarHBondContact NZ-O 3.14Å; K171-C257 HydrophobicContact CD-CB 4.38Å; K171-C257 WeakPolarHBondContact CE-SG 3.2Å; K171-C257 PolarHBondContact NZ-SG 3.09Å |
| 172 | Q | 97.8 | Very high | 97.2 | Very high | 14 Ų | 14 | 37.6 Ų | 37.6 | 7% | 0.065 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.4 | -48.4 | 175.9 | -66.1 | 174.1 | -50.7 | 0 | 0 | 112.3 | I11 E168 R169 R170 E174 L175 M176 W217 W226 | I11-Q172 HydrophobicContact CD1-CB 4.31Å; I11-Q172 HydrophobicContact CG2-CB 3.82Å; I11-Q172 VanDerWaalsContact CG2-CD 3.48Å; I11-Q172 HydrophobicContact CG2-CG 4.09Å; E168-Q172 WeakPolarHBondContact O-CG 3.36Å; E168-Q172 PolarHBondContact O-N 2.9Å; R169-Q172 PolarHBondContact O-N 2.87Å; R170-Q172 VanDerWaalsContact C-N 3.33Å; Q172-E174 PolarHBondContact O-N 3.39Å; Q172-L175 PolarHBondContact O-N 2.98Å; Q172-M176 WeakPolarHBondContact O-CB 3.24Å; Q172-M176 PolarHBondContact O-N 3.5Å; Q172-W217 HydrophobicContact CB-CE3 4.43Å; Q172-W217 HydrophobicContact CB-CH2 3.52Å; Q172-W217 HydrophobicContact CB-CZ2 3.93Å; Q172-W217 HydrophobicContact CB-CZ3 3.83Å; Q172-W217 HydrophobicContact CG-CD2 3.98Å; Q172-W217 HydrophobicContact CG-CE3 3.97Å; Q172-W217 HydrophobicContact CG-CH2 3.84Å; Q172-W217 HydrophobicContact CG-CZ2 3.94Å; Q172-W217 HydrophobicContact CG-CZ3 3.88Å; Q172-W217 WeakPolarHBondContact O-CH2 3.33Å; Q172-W226 HydrophobicContact CG-CH2 3.62Å; Q172-W226 HydrophobicContact CG-CZ3 3.94Å |
| 173 | E | 96.7 | Very high | 97.2 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.4 | -46.7 | 178.8 | -72.4 | 173 | 167 | 0 | 0 | 111.7 | Y8 I11 R169 R170 L175 M176 K177 | Y8-E173 HydrophobicContact CD2-CB 4.06Å; Y8-E173 HydrophobicContact CD2-CG 3.62Å; Y8-E173 HydrophobicContact CE2-CB 4.32Å; Y8-E173 HydrophobicContact CE2-CG 4.31Å; Y8-E173 HydrophobicContact CG-CB 4.44Å; Y8-E173 HydrophobicContact CG-CG 3.99Å; I11-E173 HydrophobicContact CD1-CG 3.93Å; R169-E173 HydrophobicContact CG-CG 4.43Å; R169-E173 IonicContact CZ-OE1 3.36Å; R169-E173 IonicContact NE-OE1 2.75Å; R169-E173 PolarHBondContact NE-OE1 3.35Å; R169-E173 IonicContact NH2-OE1 3.29Å; R169-E173 PolarHBondContact NH2-OE1 3.27Å; R169-E173 VanDerWaalsContact O-CG 3.3Å; R169-E173 WeakPolarHBondContact O-CG 3.49Å; R169-E173 PolarHBondContact O-N 2.85Å; R170-E173 WeakPolarHBondContact CD-OE2 3.31Å; R170-E173 IonicContact CZ-OE2 3.85Å; R170-E173 IonicContact NH1-OE2 2.86Å; R170-E173 PolarHBondContact NH1-OE2 2.96Å; R170-E173 PolarHBondContact O-N 2.87Å; E173-L175 PolarHBondContact O-N 2.75Å; E173-M176 PolarHBondContact O-N 3.01Å; E173-K177 VanDerWaalsContact O-CB 3.3Å; E173-K177 WeakPolarHBondContact O-CB 2.99Å; E173-K177 PolarHBondContact O-N 2.88Å |
| 174 | E | 97.4 | Very high | 97.2 | Very high | 22 Ų | 22 | 31.1 Ų | 31.1 | 10% | 0.103 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.1 | -49.6 | 177.9 | 179.1 | 66.1 | -160.6 | 0 | 0 | 111.4 | R51 Y162 I164 R170 Q172 M176 K177 Y178 F181 | R51-E174 IonicContact CZ-OE1 3.82Å; R51-E174 VanDerWaalsContact CZ-OE1 3.29Å; R51-E174 IonicContact NH1-OE1 2.89Å; R51-E174 PolarHBondContact NH1-OE1 3.29Å; R51-E174 IonicContact NH2-OE1 3.96Å; R51-E174 PolarHBondContact NH2-OE1 2.76Å; Y162-E174 WeakPolarHBondContact CE2-OE1 3.27Å; Y162-E174 PolarHBondContact OH-OE1 2.92Å; I164-E174 HydrophobicContact CD1-CG 3.67Å; I164-E174 HydrophobicContact CG1-CG 3.88Å; I164-E174 HydrophobicContact CG2-CB 4.05Å; I164-E174 HydrophobicContact CG2-CG 4.16Å; R170-E174 WeakPolarHBondContact O-CB 3.1Å; R170-E174 PolarHBondContact O-N 3.14Å; Q172-E174 PolarHBondContact O-N 3.39Å; E174-M176 PolarHBondContact O-N 3.42Å; E174-K177 PolarHBondContact O-N 3.12Å; E174-Y178 PolarHBondContact O-N 2.77Å; E174-Y178 WeakPolarHBondContact OE1-CD2 3.38Å; E174-Y178 WeakPolarHBondContact OE2-CD2 3.45Å; E174-F181 HydrophobicContact CB-CD1 4.26Å; E174-F181 HydrophobicContact CB-CE1 3.97Å; E174-F181 HydrophobicContact CG-CD1 3.61Å; E174-F181 HydrophobicContact CG-CE1 3.83Å; E174-F181 HydrophobicContact CG-CG 4.34Å |
| 175 | L | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.4 | -42.3 | -178.4 | -174.5 | 72.3 | 0 | 0 | 0 | 111.7 | F15 W21 K171 Q172 E173 K177 G179 P180 F181 L214 G216 W217 | F15-L175 HydrophobicContact CD1-CD2 3.59Å; F15-L175 HydrophobicContact CD1-CG 4.09Å; F15-L175 HydrophobicContact CE1-CD2 3.73Å; F15-L175 HydrophobicContact CE1-CG 3.71Å; W21-L175 WeakPolarHBondContact CH2-O 3.23Å; K171-L175 WeakPolarHBondContact O-CB 3.31Å; K171-L175 PolarHBondContact O-N 2.82Å; K171-L175 VanDerWaalsContact O-N 3.11Å; Q172-L175 PolarHBondContact O-N 2.98Å; E173-L175 PolarHBondContact O-N 2.75Å; L175-K177 VanDerWaalsContact C-N 3.31Å; L175-K177 PolarHBondContact O-N 2.72Å; L175-G179 WeakPolarHBondContact O-CA 3.42Å; L175-G179 PolarHBondContact O-N 2.89Å; L175-P180 VanDerWaalsContact CD1-CA 3.47Å; L175-P180 HydrophobicContact CD1-CB 4.44Å; L175-P180 HydrophobicContact CD1-CG 4.39Å; L175-F181 HydrophobicContact CB-CD1 4.37Å; L175-F181 HydrophobicContact CB-CE1 3.85Å; L175-F181 HydrophobicContact CD1-CD1 4.33Å; L175-F181 HydrophobicContact CD1-CE1 4.38Å; L175-L214 HydrophobicContact CB-CD2 4.49Å; L175-L214 HydrophobicContact CD1-CD2 4.12Å; L175-L214 WeakPolarHBondContact CD1-O 3.46Å; L175-L214 HydrophobicContact CD2-CD2 3.61Å; L175-L214 HydrophobicContact CG-CD2 4.3Å; L175-G216 VanDerWaalsContact CD2-CA 3.5Å; L175-W217 HydrophobicContact CB-CZ3 4.02Å; L175-W217 HydrophobicContact CD2-CE3 3.67Å; L175-W217 HydrophobicContact CD2-CZ3 3.48Å; L175-W217 VanDerWaalsContact CD2-CZ3 3.48Å; L175-W217 HydrophobicContact CG-CZ3 4.21Å |
| 176 | M | 97.4 | Very high | 97.4 | Very high | 45 Ų | 45 | 27 Ų | 27 | 22% | 0.222 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.5 | -38.9 | 177.8 | -87 | 162.4 | 68.7 | 0 | 0 | 112.6 | I11 P12 F15 Q172 E173 E174 W217 | I11-M176 HydrophobicContact CD1-CE 4.2Å; I11-M176 HydrophobicContact CD1-SD 3.8Å; I11-M176 HydrophobicContact CG2-SD 4.13Å; P12-M176 HydrophobicContact CG-SD 4.31Å; F15-M176 HydrophobicContact CD2-CG 3.72Å; F15-M176 HydrophobicContact CE2-CB 4.36Å; F15-M176 HydrophobicContact CE2-CG 3.64Å; F15-M176 HydrophobicContact CG-CG 4.41Å; F15-M176 HydrophobicContact CZ-CG 4.27Å; Q172-M176 WeakPolarHBondContact O-CB 3.24Å; Q172-M176 PolarHBondContact O-N 3.5Å; E173-M176 PolarHBondContact O-N 3.01Å; E174-M176 PolarHBondContact O-N 3.42Å; M176-W217 HydrophobicContact CG-CH2 3.57Å; M176-W217 HydrophobicContact CG-CZ2 4.28Å; M176-W217 HydrophobicContact CG-CZ3 4.48Å; M176-W217 HydrophobicContact SD-CH2 3.56Å; M176-W217 VanDerWaalsContact SD-CH2 3.56Å; M176-W217 HydrophobicContact SD-CZ2 3.84Å |
| 177 | K | 95.6 | Very high | 97.5 | Very high | 87 Ų | 87 | 24.1 Ų | 24.1 | 38% | 0.378 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -83.3 | -46.9 | -172.9 | -172.4 | 175.6 | -172 | -175.8 | 0 | 112.6 | E7 Y8 E173 E174 L175 | E7-K177 IonicContact OE1-NZ 3.93Å; Y8-K177 HydrophobicContact CE1-CB 4.25Å; Y8-K177 HydrophobicContact CE1-CD 3.72Å; Y8-K177 HydrophobicContact CE1-CG 4.29Å; Y8-K177 WeakPolarHBondContact OH-CD 3.24Å; Y8-K177 WeakPolarHBondContact OH-CE 3.45Å; Y8-K177 PolarHBondContact OH-NZ 3.05Å; E173-K177 VanDerWaalsContact O-CB 3.3Å; E173-K177 WeakPolarHBondContact O-CB 2.99Å; E173-K177 PolarHBondContact O-N 2.88Å; E174-K177 PolarHBondContact O-N 3.12Å; L175-K177 VanDerWaalsContact C-N 3.31Å; L175-K177 PolarHBondContact O-N 2.72Å |
| 178 | Y | 97.4 | Very high | 97.6 | Very high | 71 Ų | 71 | 25.2 Ų | 25.2 | 28% | 0.278 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -115 | -12.5 | -168.9 | -60.2 | -60 | 0 | 0 | 0 | 113.5 | R51 E174 L261 | R51-Y178 WeakPolarHBondContact CG-O 3.4Å; E174-Y178 PolarHBondContact O-N 2.77Å; E174-Y178 WeakPolarHBondContact OE1-CD2 3.38Å; E174-Y178 WeakPolarHBondContact OE2-CD2 3.45Å; Y178-L261 HydrophobicContact CD1-CD2 3.4Å; Y178-L261 VanDerWaalsContact CD1-CD2 3.4Å; Y178-L261 HydrophobicContact CD2-CD2 4.36Å; Y178-L261 HydrophobicContact CE1-CD2 3.47Å; Y178-L261 VanDerWaalsContact CE1-CD2 3.47Å; Y178-L261 HydrophobicContact CE2-CD2 4.4Å; Y178-L261 HydrophobicContact CG-CD2 3.87Å |
| 179 | G | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | 91.1 | -172.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R51 L175 | R51-G179 PolarHBondContact NH2-O 3.05Å; L175-G179 WeakPolarHBondContact O-CA 3.42Å; L175-G179 PolarHBondContact O-N 2.89Å | ||
| 180 | P | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -49.1 | 145.7 | -173.8 | -29.8 | 36.8 | 0 | 0 | 0 | 114 | A17 I27 D50 R51 L175 R213 L214 V215 | A17-P180 HydrophobicContact CB-CG 3.81Å; I27-P180 HydrophobicContact CG1-CG 4.4Å; I27-P180 HydrophobicContact CG2-CG 3.96Å; D50-P180 HydrophobicContact CB-CB 4.3Å; D50-P180 HydrophobicContact CB-CG 4.08Å; D50-P180 WeakPolarHBondContact OD2-CB 3.45Å; D50-P180 WeakPolarHBondContact OD2-CG 3.38Å; R51-P180 PolarHBondContact NE-O 3.38Å; L175-P180 VanDerWaalsContact CD1-CA 3.47Å; L175-P180 HydrophobicContact CD1-CB 4.44Å; L175-P180 HydrophobicContact CD1-CG 4.39Å; P180-R213 HydrophobicContact CB-CG 3.87Å; P180-L214 VanDerWaalsContact CA-O 3.3Å; P180-L214 WeakPolarHBondContact CA-O 3.17Å; P180-L214 WeakPolarHBondContact CB-O 3.44Å; P180-V215 HydrophobicContact CB-CG1 4.25Å; P180-V215 HydrophobicContact CG-CG1 4.29Å | ||
| 181 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 167.7 | 179.6 | 59.5 | -101.1 | 0 | 0 | 0 | 111.5 | S47 I164 K171 E174 L175 R213 L214 C257 | S47-F181 VanDerWaalsContact OG-C 3.29Å; I164-F181 HydrophobicContact CD1-CB 3.81Å; I164-F181 HydrophobicContact CD1-CD1 3.99Å; I164-F181 HydrophobicContact CD1-CD2 3.42Å; I164-F181 VanDerWaalsContact CD1-CD2 3.42Å; I164-F181 HydrophobicContact CD1-CE1 4.38Å; I164-F181 HydrophobicContact CD1-CE2 3.91Å; I164-F181 HydrophobicContact CD1-CG 3.47Å; I164-F181 VanDerWaalsContact CD1-CG 3.47Å; I164-F181 HydrophobicContact CD1-CZ 4.35Å; K171-F181 HydrophobicContact CB-CZ 3.9Å; K171-F181 HydrophobicContact CD-CE2 4.29Å; K171-F181 HydrophobicContact CD-CZ 4.1Å; K171-F181 HydrophobicContact CG-CZ 4.39Å; K171-F181 WeakPolarHBondContact O-CE1 3.42Å; E174-F181 HydrophobicContact CB-CD1 4.26Å; E174-F181 HydrophobicContact CB-CE1 3.97Å; E174-F181 HydrophobicContact CG-CD1 3.61Å; E174-F181 HydrophobicContact CG-CE1 3.83Å; E174-F181 HydrophobicContact CG-CG 4.34Å; L175-F181 HydrophobicContact CB-CD1 4.37Å; L175-F181 HydrophobicContact CB-CE1 3.85Å; L175-F181 HydrophobicContact CD1-CD1 4.33Å; L175-F181 HydrophobicContact CD1-CE1 4.38Å; F181-R213 CarbonylContact O-C 3.57Å; F181-R213 WeakPolarHBondContact O-CA 3.36Å; F181-L214 HydrophobicContact CD2-CB 4.32Å; F181-L214 HydrophobicContact CE1-CD2 4.22Å; F181-L214 HydrophobicContact CE2-CB 3.94Å; F181-L214 HydrophobicContact CE2-CD1 4Å; F181-L214 HydrophobicContact CE2-CG 4.42Å; F181-L214 HydrophobicContact CZ-CB 4.13Å; F181-L214 HydrophobicContact CZ-CD1 3.85Å; F181-L214 HydrophobicContact CZ-CD2 3.99Å; F181-L214 HydrophobicContact CZ-CG 4.22Å; F181-L214 PolarHBondContact N-O 2.6Å; F181-L214 PolarHBondContact O-N 2.98Å; F181-C257 HydrophobicContact CD2-CB 3.88Å; F181-C257 HydrophobicContact CE2-CB 3.73Å |
| 182 | E | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 131.8 | -178.8 | -179.6 | 172.4 | -139.8 | 0 | 0 | 110.7 | W40 A43 A44 S47 P86 W90 A211 V212 C257 A258 | W40-E182 WeakPolarHBondContact CA-OE1 3.18Å; A43-E182 HydrophobicContact CB-CB 4.39Å; A43-E182 HydrophobicContact CB-CG 3.78Å; A43-E182 WeakPolarHBondContact CB-OE1 3.34Å; A44-E182 PolarHBondContact N-OE1 2.98Å; S47-E182 PolarHBondContact OG-N 3.05Å; P86-E182 HydrophobicContact CB-CG 4.24Å; W90-E182 HydrophobicContact CZ2-CB 4.06Å; W90-E182 PolarHBondContact NE1-OE2 2.86Å; E182-A211 HydrophobicContact CG-CB 4.22Å; E182-A211 WeakPolarHBondContact OE1-CB 3.28Å; E182-V212 WeakPolarHBondContact CA-O 3.18Å; E182-C257 CarbonylContact O-C 3.45Å; E182-C257 WeakPolarHBondContact O-CA 3.35Å; E182-C257 VanDerWaalsContact O-CB 3.28Å; E182-C257 WeakPolarHBondContact O-CB 3.47Å; E182-A258 PolarHBondContact N-O 2.88Å; E182-A258 VanDerWaalsContact N-O 3.14Å; E182-A258 PolarHBondContact O-N 2.92Å |
| 183 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 147.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | A211 V212 I253 C257 | A183-A211 CarbonylContact O-C 3.55Å; A183-A211 WeakPolarHBondContact O-CA 3.47Å; A183-V212 HydrophobicContact CB-CG2 4.49Å; A183-V212 PolarHBondContact N-O 3.05Å; A183-V212 WeakPolarHBondContact O-CG2 3.27Å; A183-V212 PolarHBondContact O-N 3.16Å; A183-V212 VanDerWaalsContact O-O 3.13Å; A183-I253 HydrophobicContact CB-CD1 3.57Å; A183-C257 HydrophobicContact CB-CB 4.37Å |
| 184 | T | 98.5 | Very high | 97.8 | Very high | 13 Ų | 13 | 26.2 Ų | 26.2 | 8% | 0.08 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 139 | 173.4 | -52.9 | 0 | 0 | 0 | 0 | 109.9 | N209 H210 E256 | T184-N209 HydrophobicContact CG2-CB 4.02Å; T184-H210 WeakPolarHBondContact CA-O 3.41Å; T184-E256 PolarHBondContact N-O 2.75Å |
| 185 | I | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 149.7 | 170.6 | 56.8 | 163.7 | 0 | 0 | 0 | 111.3 | V187 F191 N209 H210 V212 F242 L244 V251 I253 | I185-V187 HydrophobicContact CD1-CG2 4.15Å; I185-V187 HydrophobicContact CG1-CG2 4.28Å; I185-F191 HydrophobicContact CD1-CE1 4.06Å; I185-F191 HydrophobicContact CD1-CE2 4.35Å; I185-F191 HydrophobicContact CD1-CZ 3.86Å; I185-N209 CarbonylContact O-C 3.46Å; I185-N209 WeakPolarHBondContact O-CA 3.11Å; I185-H210 HydrophobicContact CG1-CB 4.26Å; I185-H210 WeakPolarHBondContact CG1-O 3.46Å; I185-H210 PolarHBondContact N-O 2.93Å; I185-H210 PolarHBondContact O-N 3.28Å; I185-V212 HydrophobicContact CD1-CG1 4.4Å; I185-V212 HydrophobicContact CG1-CG1 4.48Å; I185-V212 HydrophobicContact CG1-CG2 4.32Å; I185-V212 HydrophobicContact CG2-CG2 4.29Å; I185-F242 HydrophobicContact CD1-CE2 4.28Å; I185-F242 HydrophobicContact CD1-CZ 4.01Å; I185-L244 HydrophobicContact CG2-CD2 4.11Å; I185-V251 WeakPolarHBondContact CA-O 3.49Å; I185-V251 HydrophobicContact CB-CB 4.48Å; I185-V251 HydrophobicContact CB-CG2 3.86Å; I185-V251 HydrophobicContact CG2-CG2 3.92Å; I185-I253 HydrophobicContact CG2-CB 3.94Å; I185-I253 HydrophobicContact CG2-CD1 3.37Å; I185-I253 HydrophobicContact CG2-CG1 4.17Å |
| 186 | A | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 2% | 0.017 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 119.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110 | Y188 F206 V251 F252 | A186-Y188 HydrophobicContact CB-CE2 3.81Å; A186-F206 HydrophobicContact CB-CD2 4.2Å; A186-F206 HydrophobicContact CB-CE2 3.83Å; A186-V251 HydrophobicContact CB-CB 4.28Å; A186-V251 PolarHBondContact N-O 3.3Å; A186-V251 VanDerWaalsContact O-CB 3.29Å; A186-V251 WeakPolarHBondContact O-CB 3.12Å; A186-V251 WeakPolarHBondContact O-CG1 3.29Å; A186-F252 HydrophobicContact CB-CD2 3.82Å; A186-F252 HydrophobicContact CB-CE2 4.17Å |
| 187 | V | 98.4 | Very high | 97.8 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 4% | 0.036 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 131.1 | 176.6 | 174.6 | 0 | 0 | 0 | 0 | 109.7 | I185 F191 L192 V207 G208 H210 | I185-V187 HydrophobicContact CD1-CG2 4.15Å; I185-V187 HydrophobicContact CG1-CG2 4.28Å; V187-F191 HydrophobicContact CG1-CB 4.29Å; V187-F191 HydrophobicContact CG1-CD1 3.88Å; V187-F191 HydrophobicContact CG2-CD1 4.02Å; V187-F191 HydrophobicContact CG2-CE1 4.29Å; V187-L192 HydrophobicContact CG1-CD2 3.53Å; V187-L192 HydrophobicContact CG1-CG 4.37Å; V187-V207 HydrophobicContact CG1-CB 4.18Å; V187-V207 PolarHBondContact O-N 3.18Å; V187-G208 WeakPolarHBondContact CB-O 3.49Å; V187-G208 PolarHBondContact N-O 3.03Å; V187-G208 PolarHBondContact O-N 3.16Å; V187-H210 HydrophobicContact CG2-CB 3.4Å |
| 188 | Y | 98.5 | Very high | 97.9 | Very high | 50 Ų | 50 | 33.4 Ų | 33.4 | 20% | 0.196 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 162.2 | 172.9 | -66.8 | -96.8 | 0 | 0 | 0 | 109.5 | A186 D190 F191 H201 E205 F206 V251 | A186-Y188 HydrophobicContact CB-CE2 3.81Å; Y188-D190 VanDerWaalsContact CB-OD1 3.3Å; Y188-D190 WeakPolarHBondContact CB-OD1 3.35Å; Y188-D190 PolarHBondContact O-N 3.26Å; Y188-F191 WeakPolarHBondContact O-CB 3.37Å; Y188-F191 PolarHBondContact O-N 3.05Å; Y188-H201 WeakPolarHBondContact CB-ND1 3.26Å; Y188-H201 AromaticContact CD1-CE1 3.39Å; Y188-H201 WeakPolarHBondContact CD1-CE1 3.03Å; Y188-H201 AromaticContact CD1-ND1 3.92Å; Y188-H201 AromaticContact CD1-NE2 3.6Å; Y188-H201 HydrophobicContact CD2-CB 4.45Å; Y188-H201 AromaticContact CD2-CG 3.95Å; Y188-H201 AromaticContact CD2-ND1 3.92Å; Y188-H201 AromaticContact CE1-NE2 3.83Å; Y188-H201 AromaticContact CG-CE1 3.45Å; Y188-H201 VanDerWaalsContact CG-CE1 3.45Å; Y188-H201 AromaticContact CG-CG 3.94Å; Y188-H201 AromaticContact CG-ND1 3.48Å; Y188-H201 AromaticContact CG-NE2 3.94Å; Y188-E205 WeakPolarHBondContact CA-O 3.36Å; Y188-F206 HydrophobicContact CD1-CB 4.26Å; Y188-F206 HydrophobicContact CE1-CB 3.99Å; Y188-V251 HydrophobicContact CD2-CG1 3.98Å; Y188-V251 HydrophobicContact CE2-CG1 3.94Å |
| 189 | Q | 97.9 | Very high | 98 | Very high | 105 Ų | 105 | 30.8 Ų | 30.8 | 49% | 0.491 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -56.3 | -35.8 | -176.6 | -71.4 | 171.8 | -26.4 | 0 | 0 | 113.5 | F191 L192 E205 V207 | Q189-F191 VanDerWaalsContact C-N 3.3Å; Q189-F191 PolarHBondContact O-N 3.33Å; Q189-L192 PolarHBondContact O-N 3.36Å; Q189-E205 PolarHBondContact N-O 3.08Å; Q189-V207 HydrophobicContact CG-CG2 3.83Å |
| 190 | D | 97.4 | Very high | 97.9 | Very high | 31 Ų | 31 | 34.8 Ų | 34.8 | 17% | 0.166 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.3 | -31.7 | 178.2 | 59.6 | -11.6 | 0 | 0 | 0 | 113 | Y188 L192 S193 Y199 H201 K202 T203 | Y188-D190 VanDerWaalsContact CB-OD1 3.3Å; Y188-D190 WeakPolarHBondContact CB-OD1 3.35Å; Y188-D190 PolarHBondContact O-N 3.26Å; D190-L192 PolarHBondContact O-N 2.82Å; D190-S193 PolarHBondContact O-OG 2.9Å; D190-Y199 PolarHBondContact OD1-OH 3.38Å; D190-Y199 VanDerWaalsContact OD1-OH 3.12Å; D190-H201 IonicContact OD1-CE1 3.35Å; D190-H201 IonicContact OD1-ND1 3.57Å; D190-H201 PolarHBondContact OD1-ND1 2.96Å; D190-H201 IonicContact OD2-CE1 3.79Å; D190-H201 IonicContact OD2-CG 3.75Å; D190-H201 IonicContact OD2-ND1 2.79Å; D190-H201 PolarHBondContact OD2-ND1 3.42Å; D190-H201 VanDerWaalsContact OD2-ND1 3.12Å; D190-K202 PolarHBondContact OD2-N 3.45Å; D190-T203 VanDerWaalsContact CB-O 3.25Å; D190-T203 WeakPolarHBondContact CB-O 3.14Å; D190-T203 PolarHBondContact OD2-N 2.04Å; D190-T203 VanDerWaalsContact OD2-N 3.11Å; D190-T203 VanDerWaalsContact OD2-O 3.12Å |
| 191 | F | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.1 | -36.9 | 175.7 | -175.6 | -106.1 | 0 | 0 | 0 | 113.4 | I185 V187 Y188 Q189 S193 Y194 Y199 W232 W236 F242 | I185-F191 HydrophobicContact CD1-CE1 4.06Å; I185-F191 HydrophobicContact CD1-CE2 4.35Å; I185-F191 HydrophobicContact CD1-CZ 3.86Å; V187-F191 HydrophobicContact CG1-CB 4.29Å; V187-F191 HydrophobicContact CG1-CD1 3.88Å; V187-F191 HydrophobicContact CG2-CD1 4.02Å; V187-F191 HydrophobicContact CG2-CE1 4.29Å; Y188-F191 WeakPolarHBondContact O-CB 3.37Å; Y188-F191 PolarHBondContact O-N 3.05Å; Q189-F191 VanDerWaalsContact C-N 3.3Å; Q189-F191 PolarHBondContact O-N 3.33Å; F191-S193 PolarHBondContact O-N 2.79Å; F191-S193 VanDerWaalsContact O-N 3.09Å; F191-Y194 WeakPolarHBondContact O-CB 3.27Å; F191-Y194 PolarHBondContact O-N 3.15Å; F191-Y199 HydrophobicContact CB-CE1 4.27Å; F191-Y199 HydrophobicContact CB-CE2 3.95Å; F191-Y199 AromaticContact CD2-CD1 3.58Å; F191-Y199 HydrophobicContact CD2-CD1 3.58Å; F191-Y199 HydrophobicContact CD2-CD2 4.07Å; F191-Y199 AromaticContact CD2-CE1 3.53Å; F191-Y199 HydrophobicContact CD2-CE1 3.53Å; F191-Y199 HydrophobicContact CD2-CE2 4.01Å; F191-Y199 AromaticContact CD2-CG 3.88Å; F191-Y199 HydrophobicContact CD2-CG 3.88Å; F191-Y199 AromaticContact CD2-CZ 3.76Å; F191-Y199 HydrophobicContact CE2-CD1 4.02Å; F191-Y199 HydrophobicContact CE2-CE1 4.29Å; F191-Y199 HydrophobicContact CE2-CG 4.39Å; F191-Y199 HydrophobicContact CG-CE1 4.27Å; F191-W232 HydrophobicContact CD1-CH2 4.27Å; F191-W232 HydrophobicContact CD1-CZ3 4.28Å; F191-W232 HydrophobicContact CE1-CH2 4.16Å; F191-W232 HydrophobicContact CE1-CZ3 4.09Å; F191-W236 HydrophobicContact CD1-CZ2 4.36Å; F191-W236 AromaticContact CE1-CH2 3.92Å; F191-W236 HydrophobicContact CE1-CH2 3.92Å; F191-W236 AromaticContact CE1-CZ2 3.86Å; F191-W236 HydrophobicContact CE1-CZ2 3.86Å; F191-W236 HydrophobicContact CE2-CH2 4.02Å; F191-W236 HydrophobicContact CE2-CZ2 4.38Å; F191-W236 AromaticContact CZ-CH2 3.5Å; F191-W236 HydrophobicContact CZ-CH2 3.5Å; F191-W236 VanDerWaalsContact CZ-CH2 3.5Å; F191-W236 AromaticContact CZ-CZ2 3.88Å; F191-W236 HydrophobicContact CZ-CZ2 3.88Å; F191-F242 AromaticContact CE2-CD2 3.6Å; F191-F242 HydrophobicContact CE2-CD2 3.6Å; F191-F242 AromaticContact CE2-CE2 3.67Å; F191-F242 HydrophobicContact CE2-CE2 3.67Å; F191-F242 HydrophobicContact CE2-CG 4.13Å; F191-F242 HydrophobicContact CE2-CZ 4.27Å; F191-F242 HydrophobicContact CZ-CD1 4.24Å; F191-F242 AromaticContact CZ-CD2 3.89Å; F191-F242 HydrophobicContact CZ-CD2 3.89Å; F191-F242 HydrophobicContact CZ-CE1 4.11Å; F191-F242 AromaticContact CZ-CE2 3.74Å; F191-F242 HydrophobicContact CZ-CE2 3.74Å; F191-F242 HydrophobicContact CZ-CG 4.13Å; F191-F242 AromaticContact CZ-CZ 3.85Å; F191-F242 HydrophobicContact CZ-CZ 3.85Å |
| 192 | L | 97.3 | Very high | 97.6 | Very high | 25 Ų | 25 | 45.7 Ų | 45.7 | 13% | 0.131 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.5 | -34.1 | -174.2 | -58.5 | -177.3 | 0 | 0 | 0 | 112.2 | Y121 V187 Q189 D190 V207 W232 W236 | Y121-L192 HydrophobicContact CD1-CB 4.22Å; Y121-L192 HydrophobicContact CD1-CD1 3.91Å; Y121-L192 HydrophobicContact CD1-CD2 4.49Å; Y121-L192 HydrophobicContact CD1-CG 4.44Å; Y121-L192 HydrophobicContact CD2-CB 4.13Å; Y121-L192 HydrophobicContact CD2-CD2 3.97Å; Y121-L192 HydrophobicContact CE1-CD1 3.86Å; Y121-L192 HydrophobicContact CE1-CD2 4.26Å; Y121-L192 HydrophobicContact CE2-CD2 3.73Å; Y121-L192 HydrophobicContact CG-CB 3.87Å; Y121-L192 HydrophobicContact CG-CD1 4.37Å; Y121-L192 HydrophobicContact CG-CD2 4.34Å; Y121-L192 HydrophobicContact CG-CG 4.42Å; V187-L192 HydrophobicContact CG1-CD2 3.53Å; V187-L192 HydrophobicContact CG1-CG 4.37Å; Q189-L192 PolarHBondContact O-N 3.36Å; D190-L192 PolarHBondContact O-N 2.82Å; L192-V207 HydrophobicContact CD1-CG2 4.2Å; L192-W232 HydrophobicContact CD2-CH2 3.74Å; L192-W232 HydrophobicContact CD2-CZ3 4.18Å; L192-W236 PolarHBondContact O-NE1 2.87Å |
| 193 | S | 92.6 | Very high | 97.5 | Very high | 74 Ų | 74 | 50.2 Ų | 50.2 | 52% | 0.517 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 11.1 | -178.4 | 70.9 | 0 | 0 | 0 | 0 | 114.4 | D190 F191 K195 | D190-S193 PolarHBondContact O-OG 2.9Å; F191-S193 PolarHBondContact O-N 2.79Å; F191-S193 VanDerWaalsContact O-N 3.09Å; S193-K195 PolarHBondContact O-N 3.34Å |
| 194 | Y | 98.1 | Very high | 97.5 | Very high | 16 Ų | 16 | 51.9 Ų | 51.9 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | trans | -53 | 134.1 | 177.8 | 173.1 | -92.2 | 0 | 0 | 0 | 111.6 | F191 S196 G197 W236 E238 F242 K243 | F191-Y194 WeakPolarHBondContact O-CB 3.27Å; F191-Y194 PolarHBondContact O-N 3.15Å; Y194-S196 WeakPolarHBondContact CE2-O 3.35Å; Y194-G197 WeakPolarHBondContact CE2-O 3.18Å; Y194-G197 PolarHBondContact OH-N 3.11Å; Y194-G197 PolarHBondContact OH-O 3.47Å; Y194-W236 AromaticContact CD1-CH2 3.82Å; Y194-W236 HydrophobicContact CD1-CH2 3.82Å; Y194-W236 HydrophobicContact CD1-CZ2 4.16Å; Y194-W236 HydrophobicContact CD1-CZ3 4.23Å; Y194-W236 HydrophobicContact CG-CH2 4.38Å; Y194-W236 HydrophobicContact CG-CZ2 4.45Å; Y194-E238 HydrophobicContact CE1-CG 4.28Å; Y194-F242 HydrophobicContact CD1-CB 3.8Å; Y194-F242 HydrophobicContact CE1-CB 3.36Å; Y194-K243 PolarHBondContact OH-N 3.3Å | ||
| 195 | K | 97 | Very high | 97.4 | Very high | 157 Ų | 157 | 57.8 Ų | 57.8 | 68% | 0.683 | 30% | 0.304 | S | S | * | . | trans | -119.7 | -45.7 | 178.1 | -66.3 | -175.2 | 179.4 | -178.4 | 0 | 112.9 | S193 G237 | S193-K195 PolarHBondContact O-N 3.34Å; K195-G237 CarbonylContact O-C 3.25Å; K195-G237 VanDerWaalsContact O-C 3.25Å | ||
| 196 | S | 97.8 | Very high | 97.4 | Very high | 85 Ų | 85 | 62.8 Ų | 62.8 | 59% | 0.594 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -165.6 | 168.6 | -175 | 60.4 | 0 | 0 | 0 | 0 | 112.4 | Y194 | Y194-S196 WeakPolarHBondContact CE2-O 3.35Š|
| 197 | G | 98 | Very high | 97.4 | Very high | 20 Ų | 20 | 66 Ų | 66 | 21% | 0.206 | 35% | 0.346 | C | S | . | . | S | Bend | trans | 83.6 | -174.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y194 Y199 E238 K243 | Y194-G197 WeakPolarHBondContact CE2-O 3.18Å; Y194-G197 PolarHBondContact OH-N 3.11Å; Y194-G197 PolarHBondContact OH-O 3.47Å; G197-Y199 PolarHBondContact O-N 2.91Å; G197-E238 PolarHBondContact N-OE1 3.03Å; G197-K243 WeakPolarHBondContact O-CB 3.13Å |
| 198 | I | 98.5 | Very high | 97.3 | Very high | 43 Ų | 43 | 66.8 Ų | 66.8 | 22% | 0.221 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 111.4 | -179.8 | -58.1 | 171.5 | 0 | 0 | 0 | 109.2 | E220 T223 Y225 K243 I245 | I198-E220 HydrophobicContact CD1-CB 4.14Å; I198-T223 HydrophobicContact CD1-CG2 3.48Å; I198-T223 VanDerWaalsContact CD1-CG2 3.48Å; I198-T223 HydrophobicContact CG2-CG2 4.37Å; I198-Y225 HydrophobicContact CD1-CD1 3.74Å; I198-Y225 HydrophobicContact CD1-CG 4.23Å; I198-Y225 HydrophobicContact CG1-CD1 3.98Å; I198-Y225 HydrophobicContact CG1-CG 4.14Å; I198-K243 HydrophobicContact CG1-CB 4.24Å; I198-K243 HydrophobicContact CG1-CD 4.38Å; I198-I245 HydrophobicContact CG2-CB 3.91Å |
| 199 | Y | 98.5 | Very high | 97.2 | Very high | 17 Ų | 17 | 69.5 Ų | 69.5 | 7% | 0.067 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 134.3 | 173.6 | 175.3 | -109.1 | 0 | 0 | 0 | 110.4 | D190 F191 G197 H201 K243 L244 I245 V251 | D190-Y199 PolarHBondContact OD1-OH 3.38Å; D190-Y199 VanDerWaalsContact OD1-OH 3.12Å; F191-Y199 HydrophobicContact CB-CE1 4.27Å; F191-Y199 HydrophobicContact CB-CE2 3.95Å; F191-Y199 AromaticContact CD2-CD1 3.58Å; F191-Y199 HydrophobicContact CD2-CD1 3.58Å; F191-Y199 HydrophobicContact CD2-CD2 4.07Å; F191-Y199 AromaticContact CD2-CE1 3.53Å; F191-Y199 HydrophobicContact CD2-CE1 3.53Å; F191-Y199 HydrophobicContact CD2-CE2 4.01Å; F191-Y199 AromaticContact CD2-CG 3.88Å; F191-Y199 HydrophobicContact CD2-CG 3.88Å; F191-Y199 AromaticContact CD2-CZ 3.76Å; F191-Y199 HydrophobicContact CE2-CD1 4.02Å; F191-Y199 HydrophobicContact CE2-CE1 4.29Å; F191-Y199 HydrophobicContact CE2-CG 4.39Å; F191-Y199 HydrophobicContact CG-CE1 4.27Å; G197-Y199 PolarHBondContact O-N 2.91Å; Y199-H201 WeakPolarHBondContact OH-CB 3.15Å; Y199-K243 WeakPolarHBondContact CB-O 3.39Å; Y199-K243 PolarHBondContact N-O 3.14Å; Y199-L244 HydrophobicContact CD1-CD1 3.51Å; Y199-L244 HydrophobicContact CE1-CD1 4.07Å; Y199-I245 PolarHBondContact O-N 3.32Å; Y199-V251 HydrophobicContact CE1-CG1 4.12Å |
| 200 | Q | 96.7 | Very high | 97.3 | Very high | 83 Ų | 83 | 65 Ų | 65 | 39% | 0.388 | 35% | 0.351 | S | S | . | . | trans | -145.6 | 124.7 | 166.2 | 179.6 | 177 | 15.1 | 0 | 0 | 104.7 | K202 I245 | Q200-K202 PolarHBondContact O-N 2.73Å; Q200-I245 HydrophobicContact CB-CB 4.45Å; Q200-I245 HydrophobicContact CB-CG2 4Å; Q200-I245 HydrophobicContact CG-CG2 4.02Å | ||
| 201 | H | 96.8 | Very high | 97.3 | Very high | 57 Ų | 57 | 63.7 Ų | 63.7 | 26% | 0.264 | 34% | 0.344 | S | S | . | . | trans | -55 | 134.8 | 179.5 | 174.1 | 56.5 | 0 | 0 | 0 | 111 | Y188 D190 Y199 T203 G204 V251 | Y188-H201 WeakPolarHBondContact CB-ND1 3.26Å; Y188-H201 AromaticContact CD1-CE1 3.39Å; Y188-H201 WeakPolarHBondContact CD1-CE1 3.03Å; Y188-H201 AromaticContact CD1-ND1 3.92Å; Y188-H201 AromaticContact CD1-NE2 3.6Å; Y188-H201 HydrophobicContact CD2-CB 4.45Å; Y188-H201 AromaticContact CD2-CG 3.95Å; Y188-H201 AromaticContact CD2-ND1 3.92Å; Y188-H201 AromaticContact CE1-NE2 3.83Å; Y188-H201 AromaticContact CG-CE1 3.45Å; Y188-H201 VanDerWaalsContact CG-CE1 3.45Å; Y188-H201 AromaticContact CG-CG 3.94Å; Y188-H201 AromaticContact CG-ND1 3.48Å; Y188-H201 AromaticContact CG-NE2 3.94Å; D190-H201 IonicContact OD1-CE1 3.35Å; D190-H201 IonicContact OD1-ND1 3.57Å; D190-H201 PolarHBondContact OD1-ND1 2.96Å; D190-H201 IonicContact OD2-CE1 3.79Å; D190-H201 IonicContact OD2-CG 3.75Å; D190-H201 IonicContact OD2-ND1 2.79Å; D190-H201 PolarHBondContact OD2-ND1 3.42Å; D190-H201 VanDerWaalsContact OD2-ND1 3.12Å; Y199-H201 WeakPolarHBondContact OH-CB 3.15Å; H201-T203 VanDerWaalsContact CE1-C 3.49Å; H201-T203 PolarHBondContact CE1-O 2.63Å; H201-T203 VanDerWaalsContact CE1-O 3.24Å; H201-G204 PolarHBondContact CE1-O 2.81Å; H201-V251 HydrophobicContact CB-CG1 4.09Å | ||
| 202 | K | 95.5 | Very high | 97.4 | Very high | 172 Ų | 172 | 63.7 Ų | 63.7 | 75% | 0.748 | 34% | 0.344 | S | S | * | . | trans | -129.8 | -35.6 | 178.6 | -69.1 | -179.7 | -176.4 | 179.8 | 0 | 113 | D190 Q200 | D190-K202 PolarHBondContact OD2-N 3.45Å; Q200-K202 PolarHBondContact O-N 2.73Å | ||
| 203 | T | 96.8 | Very high | 97.4 | Very high | 95 Ų | 95 | 62.5 Ų | 62.5 | 58% | 0.583 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -153 | 159.5 | -169.6 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | D190 H201 | D190-T203 VanDerWaalsContact CB-O 3.25Å; D190-T203 WeakPolarHBondContact CB-O 3.14Å; D190-T203 PolarHBondContact OD2-N 2.04Å; D190-T203 VanDerWaalsContact OD2-N 3.11Å; D190-T203 VanDerWaalsContact OD2-O 3.12Å; H201-T203 VanDerWaalsContact CE1-C 3.49Å; H201-T203 PolarHBondContact CE1-O 2.63Å; H201-T203 VanDerWaalsContact CE1-O 3.24Å |
| 204 | G | 97.2 | Very high | 97.7 | Very high | 35 Ų | 35 | 59 Ų | 59 | 36% | 0.361 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 92.5 | 158.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | H201 | H201-G204 PolarHBondContact CE1-O 2.81Š|
| 205 | E | 97.7 | Very high | 97.8 | Very high | 137 Ų | 137 | 58.2 Ų | 58.2 | 64% | 0.64 | 31% | 0.311 | S | S | * | . | trans | -77.2 | 157.2 | -171.8 | -63.5 | -59.5 | 135.4 | 0 | 0 | 112.4 | Y188 Q189 V207 | Y188-E205 WeakPolarHBondContact CA-O 3.36Å; Q189-E205 PolarHBondContact N-O 3.08Å; E205-V207 PolarHBondContact O-N 3.42Å | ||
| 206 | F | 98.1 | Very high | 97.8 | Very high | 107 Ų | 107 | 50.8 Ų | 50.8 | 47% | 0.469 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 131.5 | 169.3 | 176 | -105.3 | 0 | 0 | 0 | 110.1 | A186 Y188 G208 | A186-F206 HydrophobicContact CB-CD2 4.2Å; A186-F206 HydrophobicContact CB-CE2 3.83Å; Y188-F206 HydrophobicContact CD1-CB 4.26Å; Y188-F206 HydrophobicContact CE1-CB 3.99Å; F206-G208 WeakPolarHBondContact CE2-O 3.49Å |
| 207 | V | 97.4 | Very high | 97.9 | Very high | 71 Ų | 71 | 46.7 Ų | 46.7 | 43% | 0.43 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -41 | -179.4 | 179 | 0 | 0 | 0 | 0 | 110.7 | V187 Q189 L192 E205 | V187-V207 HydrophobicContact CG1-CB 4.18Å; V187-V207 PolarHBondContact O-N 3.18Å; Q189-V207 HydrophobicContact CG-CG2 3.83Å; L192-V207 HydrophobicContact CD1-CG2 4.2Å; E205-V207 PolarHBondContact O-N 3.42Å |
| 208 | G | 96.8 | Very high | 97.9 | Very high | 21 Ų | 21 | 47.8 Ų | 47.8 | 22% | 0.216 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.4 | 173.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V187 F206 | V187-G208 WeakPolarHBondContact CB-O 3.49Å; V187-G208 PolarHBondContact N-O 3.03Å; V187-G208 PolarHBondContact O-N 3.16Å; F206-G208 WeakPolarHBondContact CE2-O 3.49Å |
| 209 | N | 97.7 | Very high | 97.9 | Very high | 108 Ų | 108 | 48.9 Ų | 48.9 | 58% | 0.578 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 146.2 | 171 | -68 | -28.1 | 0 | 0 | 0 | 110.4 | T184 I185 | T184-N209 HydrophobicContact CG2-CB 4.02Å; I185-N209 CarbonylContact O-C 3.46Å; I185-N209 WeakPolarHBondContact O-CA 3.11Å |
| 210 | H | 98.5 | Very high | 97.8 | Very high | 11 Ų | 11 | 51.4 Ų | 51.4 | 5% | 0.051 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 129.1 | -176.5 | -174.7 | 53.4 | 0 | 0 | 0 | 111 | Q33 C39 T184 I185 V187 V212 N230 W232 | Q33-H210 PolarHBondContact OE1-CE1 2.79Å; C39-H210 WeakPolarHBondContact CB-CE1 3.26Å; C39-H210 VanDerWaalsContact CB-ND1 3.27Å; C39-H210 WeakPolarHBondContact CB-ND1 3.25Å; C39-H210 PolarHBondContact SG-ND1 3.04Å; C39-H210 VanDerWaalsContact SG-ND1 3.45Å; T184-H210 WeakPolarHBondContact CA-O 3.41Å; I185-H210 HydrophobicContact CG1-CB 4.26Å; I185-H210 WeakPolarHBondContact CG1-O 3.46Å; I185-H210 PolarHBondContact N-O 2.93Å; I185-H210 PolarHBondContact O-N 3.28Å; V187-H210 HydrophobicContact CG2-CB 3.4Å; H210-V212 VanDerWaalsContact CD2-CG1 3.44Å; H210-V212 WeakPolarHBondContact CD2-CG1 3.31Å; H210-N230 PolarHBondContact NE2-OD1 2.72Å; H210-W232 AromaticContact CE1-CE2 3.92Å; H210-W232 AromaticContact CE1-CZ2 3.98Å; H210-W232 AromaticContact CE1-NE1 3.59Å; H210-W232 AromaticContact NE2-CE2 3.87Å; H210-W232 AromaticContact NE2-CZ2 3.87Å; H210-W232 AromaticContact NE2-NE1 3.89Å |
| 211 | A | 98.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 2% | 0.017 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 135.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | C39 A43 P86 E182 A183 | C39-A211 HydrophobicContact CB-CB 4.32Å; A43-A211 HydrophobicContact CB-CB 4.23Å; P86-A211 HydrophobicContact CG-CB 4.1Å; E182-A211 HydrophobicContact CG-CB 4.22Å; E182-A211 WeakPolarHBondContact OE1-CB 3.28Å; A183-A211 CarbonylContact O-C 3.55Å; A183-A211 WeakPolarHBondContact O-CA 3.47Å |
| 212 | V | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 164.7 | -176.6 | -69 | 0 | 0 | 0 | 0 | 109.3 | E182 A183 I185 H210 L228 F242 | E182-V212 WeakPolarHBondContact CA-O 3.18Å; A183-V212 HydrophobicContact CB-CG2 4.49Å; A183-V212 PolarHBondContact N-O 3.05Å; A183-V212 WeakPolarHBondContact O-CG2 3.27Å; A183-V212 PolarHBondContact O-N 3.16Å; A183-V212 VanDerWaalsContact O-O 3.13Å; I185-V212 HydrophobicContact CD1-CG1 4.4Å; I185-V212 HydrophobicContact CG1-CG1 4.48Å; I185-V212 HydrophobicContact CG1-CG2 4.32Å; I185-V212 HydrophobicContact CG2-CG2 4.29Å; H210-V212 VanDerWaalsContact CD2-CG1 3.44Å; H210-V212 WeakPolarHBondContact CD2-CG1 3.31Å; V212-L228 HydrophobicContact CB-CD2 4.38Å; V212-L228 HydrophobicContact CG2-CD2 3.53Å; V212-F242 HydrophobicContact CB-CE1 4.32Å; V212-F242 HydrophobicContact CB-CZ 4.31Å; V212-F242 HydrophobicContact CG1-CE1 3.97Å; V212-F242 HydrophobicContact CG1-CZ 4.03Å; V212-F242 HydrophobicContact CG2-CZ 4.2Å |
| 213 | R | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 122.2 | 178.8 | 178.5 | 170.3 | 55.9 | 99.3 | 2 | 110.8 | I27 Q29 E46 S47 D50 P180 F181 V215 L228 A229 | I27-R213 PolarHBondContact O-NH1 3.48Å; I27-R213 PolarHBondContact O-NH2 2.86Å; Q29-R213 PolarHBondContact O-NH2 3.25Å; E46-R213 IonicContact OE2-CZ 3.73Å; E46-R213 IonicContact OE2-NE 2.66Å; E46-R213 PolarHBondContact OE2-NE 3.24Å; E46-R213 IonicContact OE2-NH2 3.16Å; E46-R213 PolarHBondContact OE2-NH2 3.12Å; S47-R213 WeakPolarHBondContact OG-CD 3.09Å; S47-R213 WeakPolarHBondContact OG-CG 3.45Å; D50-R213 IonicContact OD1-NH1 2.62Å; D50-R213 WeakPolarHBondContact OD2-CD 3.42Å; D50-R213 IonicContact OD2-CZ 2.85Å; D50-R213 IonicContact OD2-NE 3.03Å; D50-R213 IonicContact OD2-NH1 2.79Å; D50-R213 PolarHBondContact OD2-NH1 2.99Å; P180-R213 HydrophobicContact CB-CG 3.87Å; F181-R213 CarbonylContact O-C 3.57Å; F181-R213 WeakPolarHBondContact O-CA 3.36Å; R213-V215 HydrophobicContact CG-CG1 3.96Å; R213-L228 CarbonylContact O-C 3.58Å; R213-L228 VanDerWaalsContact O-CA 3.28Å; R213-L228 WeakPolarHBondContact O-CA 2.99Å; R213-A229 HydrophobicContact CB-CB 4.33Å; R213-A229 PolarHBondContact N-O 2.99Å; R213-A229 VanDerWaalsContact N-O 3.13Å; R213-A229 PolarHBondContact O-N 2.97Å |
| 214 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 122.7 | 176.3 | -166 | 156.2 | 0 | 0 | 0 | 109 | L175 P180 F181 W226 L228 | L175-L214 HydrophobicContact CB-CD2 4.49Å; L175-L214 HydrophobicContact CD1-CD2 4.12Å; L175-L214 WeakPolarHBondContact CD1-O 3.46Å; L175-L214 HydrophobicContact CD2-CD2 3.61Å; L175-L214 HydrophobicContact CG-CD2 4.3Å; P180-L214 VanDerWaalsContact CA-O 3.3Å; P180-L214 WeakPolarHBondContact CA-O 3.17Å; P180-L214 WeakPolarHBondContact CB-O 3.44Å; F181-L214 HydrophobicContact CD2-CB 4.32Å; F181-L214 HydrophobicContact CE1-CD2 4.22Å; F181-L214 HydrophobicContact CE2-CB 3.94Å; F181-L214 HydrophobicContact CE2-CD1 4Å; F181-L214 HydrophobicContact CE2-CG 4.42Å; F181-L214 HydrophobicContact CZ-CB 4.13Å; F181-L214 HydrophobicContact CZ-CD1 3.85Å; F181-L214 HydrophobicContact CZ-CD2 3.99Å; F181-L214 HydrophobicContact CZ-CG 4.22Å; F181-L214 PolarHBondContact N-O 2.6Å; F181-L214 PolarHBondContact O-N 2.98Å; L214-W226 HydrophobicContact CD1-CD2 3.93Å; L214-W226 HydrophobicContact CD1-CE3 3.8Å; L214-W226 HydrophobicContact CD1-CG 4.31Å; L214-W226 HydrophobicContact CD1-CZ3 4.26Å; L214-W226 HydrophobicContact CD2-CE3 3.95Å; L214-W226 HydrophobicContact CD2-CZ3 4.17Å; L214-W226 HydrophobicContact CG-CE3 4.2Å; L214-L228 HydrophobicContact CB-CD2 4.22Å; L214-L228 HydrophobicContact CG-CD2 4.43Å |
| 215 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | -11.3 | -171.6 | -60.3 | 0 | 0 | 0 | 0 | 114 | A17 P180 R213 L227 A229 F241 | A17-V215 WeakPolarHBondContact CB-O 3.46Å; A17-V215 PolarHBondContact N-O 2.78Å; P180-V215 HydrophobicContact CB-CG1 4.25Å; P180-V215 HydrophobicContact CG-CG1 4.29Å; R213-V215 HydrophobicContact CG-CG1 3.96Å; V215-L227 HydrophobicContact CG2-CB 4.15Å; V215-L227 HydrophobicContact CG2-CD2 3.78Å; V215-L227 HydrophobicContact CG2-CG 3.6Å; V215-L227 VanDerWaalsContact CG2-O 3.23Å; V215-L227 WeakPolarHBondContact CG2-O 3.12Å; V215-L227 PolarHBondContact N-O 3.4Å; V215-A229 HydrophobicContact CG1-CB 4.24Å; V215-F241 HydrophobicContact CG2-CD1 4.21Å; V215-F241 HydrophobicContact CG2-CE1 4.06Å |
| 216 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.4 | -176 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | F15 L175 L227 | F15-G216 CarbonylContact O-C 3.57Å; F15-G216 WeakPolarHBondContact O-CA 3.47Å; L175-G216 VanDerWaalsContact CD2-CA 3.5Å; G216-L227 PolarHBondContact N-O 2.88Å; G216-L227 PolarHBondContact O-N 3.45Å |
| 217 | W | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 149.2 | 165.4 | 63.2 | 91.7 | 0 | 0 | 0 | 109.8 | I11 P12 E13 V14 F15 Q172 L175 M176 Y225 W226 | I11-W217 HydrophobicContact CG2-CH2 4.3Å; I11-W217 HydrophobicContact CG2-CZ2 3.54Å; P12-W217 HydrophobicContact CG-CZ2 4.13Å; P12-W217 PolarHBondContact O-NE1 2.98Å; E13-W217 VanDerWaalsContact O-CD1 3.26Å; V14-W217 CarbonylContact C-O 3.49Å; V14-W217 WeakPolarHBondContact CA-O 3.3Å; F15-W217 HydrophobicContact CB-CD2 3.68Å; F15-W217 VanDerWaalsContact CB-CE2 3.43Å; F15-W217 HydrophobicContact CB-CE3 3.8Å; F15-W217 HydrophobicContact CB-CG 4.48Å; F15-W217 HydrophobicContact CB-CH2 3.62Å; F15-W217 HydrophobicContact CB-CZ2 3.4Å; F15-W217 VanDerWaalsContact CB-CZ2 3.4Å; F15-W217 HydrophobicContact CB-CZ3 3.79Å; F15-W217 HydrophobicContact CD1-CE3 4.27Å; F15-W217 HydrophobicContact CD1-CH2 4.24Å; F15-W217 AromaticContact CD1-CZ3 3.91Å; F15-W217 HydrophobicContact CD1-CZ3 3.91Å; F15-W217 HydrophobicContact CD2-CH2 4.26Å; F15-W217 HydrophobicContact CG-CE3 4.31Å; F15-W217 AromaticContact CG-CH2 3.79Å; F15-W217 HydrophobicContact CG-CH2 3.79Å; F15-W217 HydrophobicContact CG-CZ2 4.05Å; F15-W217 AromaticContact CG-CZ3 3.9Å; F15-W217 HydrophobicContact CG-CZ3 3.9Å; F15-W217 PolarHBondContact N-O 2.87Å; F15-W217 PolarHBondContact O-N 2.86Å; Q172-W217 HydrophobicContact CB-CE3 4.43Å; Q172-W217 HydrophobicContact CB-CH2 3.52Å; Q172-W217 HydrophobicContact CB-CZ2 3.93Å; Q172-W217 HydrophobicContact CB-CZ3 3.83Å; Q172-W217 HydrophobicContact CG-CD2 3.98Å; Q172-W217 HydrophobicContact CG-CE3 3.97Å; Q172-W217 HydrophobicContact CG-CH2 3.84Å; Q172-W217 HydrophobicContact CG-CZ2 3.94Å; Q172-W217 HydrophobicContact CG-CZ3 3.88Å; Q172-W217 WeakPolarHBondContact O-CH2 3.33Å; L175-W217 HydrophobicContact CB-CZ3 4.02Å; L175-W217 HydrophobicContact CD2-CE3 3.67Å; L175-W217 HydrophobicContact CD2-CZ3 3.48Å; L175-W217 VanDerWaalsContact CD2-CZ3 3.48Å; L175-W217 HydrophobicContact CG-CZ3 4.21Å; M176-W217 HydrophobicContact CG-CH2 3.57Å; M176-W217 HydrophobicContact CG-CZ2 4.28Å; M176-W217 HydrophobicContact CG-CZ3 4.48Å; M176-W217 HydrophobicContact SD-CH2 3.56Å; M176-W217 VanDerWaalsContact SD-CH2 3.56Å; M176-W217 HydrophobicContact SD-CZ2 3.84Å; W217-Y225 CarbonylContact C-O 3.56Å; W217-Y225 WeakPolarHBondContact CA-O 3.36Å; W217-Y225 VanDerWaalsContact CB-O 3.23Å; W217-Y225 WeakPolarHBondContact CB-O 3.44Å; W217-W226 HydrophobicContact CB-CE3 3.79Å; W217-W226 HydrophobicContact CB-CZ3 3.98Å; W217-W226 HydrophobicContact CD2-CZ3 4.28Å; W217-W226 HydrophobicContact CE3-CE3 4.49Å; W217-W226 AromaticContact CE3-CZ3 3.83Å; W217-W226 HydrophobicContact CE3-CZ3 3.83Å; W217-W226 HydrophobicContact CG-CZ3 4.38Å |
| 218 | K | 98.3 | Very high | 98 | Very high | 42 Ų | 42 | 37.8 Ų | 37.8 | 18% | 0.183 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | -171.6 | 171.3 | -41.3 | -169.4 | 176.2 | -179 | 0 | 109.8 | V14 D16 Y225 R246 | V14-K218 HydrophobicContact CG1-CB 4.07Å; V14-K218 HydrophobicContact CG1-CD 3.88Å; V14-K218 HydrophobicContact CG1-CG 3.72Å; V14-K218 HydrophobicContact CG2-CB 4.31Å; D16-K218 VanDerWaalsContact OD2-CE 3.3Å; D16-K218 WeakPolarHBondContact OD2-CE 3.01Å; D16-K218 IonicContact OD2-NZ 3.75Å; D16-K218 PolarHBondContact OD2-NZ 2.82Å; K218-Y225 HydrophobicContact CB-CE1 3.7Å; K218-Y225 HydrophobicContact CB-CE2 4.2Å; K218-Y225 WeakPolarHBondContact CB-OH 3.44Å; K218-Y225 WeakPolarHBondContact CD-OH 3.2Å; K218-Y225 HydrophobicContact CG-CE2 4.28Å; K218-Y225 PolarHBondContact N-O 2.83Å; K218-Y225 PolarHBondContact O-N 2.86Å; K218-R246 PolarHBondContact O-NH2 2.61Å |
| 219 | I | 97.9 | Very high | 98.1 | Very high | 66 Ų | 66 | 36.8 Ų | 36.8 | 34% | 0.338 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.3 | 170.7 | -59.2 | 178.1 | 0 | 0 | 0 | 106.8 | E13 T223 | E13-I219 HydrophobicContact CB-CD1 3.91Å; E13-I219 HydrophobicContact CG-CD1 4.22Å; I219-T223 WeakPolarHBondContact CA-O 2.98Å |
| 220 | E | 96.8 | Very high | 98.1 | Very high | 70 Ų | 70 | 31.7 Ų | 31.7 | 33% | 0.327 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 120.1 | 171.8 | -179.3 | -179.2 | 119.6 | 0 | 0 | 107.7 | I198 H222 T223 Y225 K243 | I198-E220 HydrophobicContact CD1-CB 4.14Å; E220-H222 VanDerWaalsContact C-N 3.31Å; E220-H222 PolarHBondContact O-N 2.93Å; E220-T223 PolarHBondContact N-O 2.93Å; E220-T223 WeakPolarHBondContact O-CB 3.24Å; E220-T223 PolarHBondContact O-N 3.05Å; E220-Y225 HydrophobicContact CB-CD1 4.2Å; E220-Y225 HydrophobicContact CB-CE1 3.8Å; E220-K243 IonicContact OE2-NZ 2.79Å; E220-K243 PolarHBondContact OE2-NZ 3.08Å |
| 221 | Q | 93 | Very high | 98.1 | Very high | 171 Ų | 171 | 31.3 Ų | 31.3 | 80% | 0.799 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48 | 49.6 | -178.3 | -59.1 | -179 | -10.8 | 0 | 0 | 113.3 | T223 | Q221-T223 PolarHBondContact O-N 2.81Š|
| 222 | H | 95.7 | Very high | 98.1 | Very high | 180 Ų | 180 | 31.8 Ų | 31.8 | 83% | 0.833 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 1.4 | -176.6 | -44.3 | 90.6 | 0 | 0 | 0 | 115.8 | E220 P224 | E220-H222 VanDerWaalsContact C-N 3.31Å; E220-H222 PolarHBondContact O-N 2.93Å; H222-P224 WeakPolarHBondContact O-CD 3.32Å |
| 223 | T | 97.7 | Very high | 98.1 | Very high | 56 Ų | 56 | 31.9 Ų | 31.9 | 34% | 0.344 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 115.9 | 177 | -55.2 | 0 | 0 | 0 | 0 | 109.9 | I198 I219 E220 Q221 I245 | I198-T223 HydrophobicContact CD1-CG2 3.48Å; I198-T223 VanDerWaalsContact CD1-CG2 3.48Å; I198-T223 HydrophobicContact CG2-CG2 4.37Å; I219-T223 WeakPolarHBondContact CA-O 2.98Å; E220-T223 PolarHBondContact N-O 2.93Å; E220-T223 WeakPolarHBondContact O-CB 3.24Å; E220-T223 PolarHBondContact O-N 3.05Å; Q221-T223 PolarHBondContact O-N 2.81Å; T223-I245 HydrophobicContact CG2-CD1 4.37Å; T223-I245 HydrophobicContact CG2-CG1 4.47Å |
| 224 | P | 98.2 | Very high | 98 | Very high | 41 Ų | 41 | 35.2 Ų | 35.2 | 27% | 0.266 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 139.7 | 175.9 | 29.4 | -33.8 | 0 | 0 | 0 | 110.9 | H222 R246 | H222-P224 WeakPolarHBondContact O-CD 3.32Å; P224-R246 HydrophobicContact CB-CB 4.27Å; P224-R246 PolarHBondContact O-N 3.4Å |
| 225 | Y | 98.8 | Very high | 98 | Very high | 16 Ų | 16 | 38.4 Ų | 38.4 | 6% | 0.063 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 154.4 | 176.1 | 70.6 | -93.9 | 0 | 0 | 0 | 112.7 | I198 W217 K218 E220 L227 K243 L244 R246 | I198-Y225 HydrophobicContact CD1-CD1 3.74Å; I198-Y225 HydrophobicContact CD1-CG 4.23Å; I198-Y225 HydrophobicContact CG1-CD1 3.98Å; I198-Y225 HydrophobicContact CG1-CG 4.14Å; W217-Y225 CarbonylContact C-O 3.56Å; W217-Y225 WeakPolarHBondContact CA-O 3.36Å; W217-Y225 VanDerWaalsContact CB-O 3.23Å; W217-Y225 WeakPolarHBondContact CB-O 3.44Å; K218-Y225 HydrophobicContact CB-CE1 3.7Å; K218-Y225 HydrophobicContact CB-CE2 4.2Å; K218-Y225 WeakPolarHBondContact CB-OH 3.44Å; K218-Y225 WeakPolarHBondContact CD-OH 3.2Å; K218-Y225 HydrophobicContact CG-CE2 4.28Å; K218-Y225 PolarHBondContact N-O 2.83Å; K218-Y225 PolarHBondContact O-N 2.86Å; E220-Y225 HydrophobicContact CB-CD1 4.2Å; E220-Y225 HydrophobicContact CB-CE1 3.8Å; Y225-L227 HydrophobicContact CE2-CB 4.24Å; Y225-K243 HydrophobicContact CD2-CB 3.55Å; Y225-K243 HydrophobicContact CD2-CD 4.2Å; Y225-K243 HydrophobicContact CD2-CG 3.66Å; Y225-K243 HydrophobicContact CE1-CD 4.26Å; Y225-K243 HydrophobicContact CE2-CB 3.97Å; Y225-K243 HydrophobicContact CE2-CD 3.88Å; Y225-K243 HydrophobicContact CE2-CG 3.5Å; Y225-K243 HydrophobicContact CG-CB 3.97Å; Y225-K243 HydrophobicContact CG-CG 4.34Å; Y225-L244 CarbonylContact C-O 3.5Å; Y225-L244 WeakPolarHBondContact CA-O 3.37Å; Y225-L244 VanDerWaalsContact CB-O 3.31Å; Y225-L244 WeakPolarHBondContact CB-O 3.2Å; Y225-R246 PolarHBondContact O-NE 3.21Å |
| 226 | W | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 133.4 | 163.9 | -64.7 | 119 | 0 | 0 | 0 | 109.8 | E168 K171 Q172 L214 W217 L228 K243 L244 R246 E254 | E168-W226 HydrophobicContact CB-CZ2 4.29Å; E168-W226 HydrophobicContact CG-CH2 4.17Å; E168-W226 HydrophobicContact CG-CZ2 3.84Å; K171-W226 HydrophobicContact CB-CH2 3.58Å; K171-W226 HydrophobicContact CB-CZ2 3.95Å; K171-W226 HydrophobicContact CB-CZ3 4.31Å; K171-W226 HydrophobicContact CG-CZ2 4.48Å; Q172-W226 HydrophobicContact CG-CH2 3.62Å; Q172-W226 HydrophobicContact CG-CZ3 3.94Å; L214-W226 HydrophobicContact CD1-CD2 3.93Å; L214-W226 HydrophobicContact CD1-CE3 3.8Å; L214-W226 HydrophobicContact CD1-CG 4.31Å; L214-W226 HydrophobicContact CD1-CZ3 4.26Å; L214-W226 HydrophobicContact CD2-CE3 3.95Å; L214-W226 HydrophobicContact CD2-CZ3 4.17Å; L214-W226 HydrophobicContact CG-CE3 4.2Å; W217-W226 HydrophobicContact CB-CE3 3.79Å; W217-W226 HydrophobicContact CB-CZ3 3.98Å; W217-W226 HydrophobicContact CD2-CZ3 4.28Å; W217-W226 HydrophobicContact CE3-CE3 4.49Å; W217-W226 AromaticContact CE3-CZ3 3.83Å; W217-W226 HydrophobicContact CE3-CZ3 3.83Å; W217-W226 HydrophobicContact CG-CZ3 4.38Å; W226-L228 HydrophobicContact CB-CD1 3.58Å; W226-L228 HydrophobicContact CB-CG 4.35Å; W226-L228 WeakPolarHBondContact O-CD1 3.39Å; W226-K243 WeakPolarHBondContact O-CA 3.24Å; W226-L244 PolarHBondContact N-O 3.23Å; W226-L244 PolarHBondContact O-N 3.5Å; W226-R246 HydrophobicContact CD2-CB 4.1Å; W226-R246 HydrophobicContact CD2-CG 3.97Å; W226-R246 VanDerWaalsContact CE2-CG 3.44Å; W226-R246 HydrophobicContact CG-CB 3.98Å; W226-R246 HydrophobicContact CG-CG 4.38Å; W226-R246 HydrophobicContact CH2-CG 4.34Å; W226-R246 HydrophobicContact CZ2-CG 3.66Å; W226-E254 HydrophobicContact CZ2-CG 4.22Å; W226-E254 PolarHBondContact NE1-OE1 3.02Å |
| 227 | L | 98.8 | Very high | 97.9 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 122.2 | 168.7 | 179.8 | 67.4 | 0 | 0 | 0 | 108.3 | V215 G216 Y225 F241 | V215-L227 HydrophobicContact CG2-CB 4.15Å; V215-L227 HydrophobicContact CG2-CD2 3.78Å; V215-L227 HydrophobicContact CG2-CG 3.6Å; V215-L227 VanDerWaalsContact CG2-O 3.23Å; V215-L227 WeakPolarHBondContact CG2-O 3.12Å; V215-L227 PolarHBondContact N-O 3.4Å; G216-L227 PolarHBondContact N-O 2.88Å; G216-L227 PolarHBondContact O-N 3.45Å; Y225-L227 HydrophobicContact CE2-CB 4.24Å; L227-F241 HydrophobicContact CD1-CB 4.15Å; L227-F241 HydrophobicContact CD1-CD1 4.29Å; L227-F241 HydrophobicContact CG-CD1 4.41Å |
| 228 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 145.4 | -178.1 | -60.1 | 107.3 | 0 | 0 | 0 | 111.1 | V212 R213 L214 W226 F241 F242 L244 I253 | V212-L228 HydrophobicContact CB-CD2 4.38Å; V212-L228 HydrophobicContact CG2-CD2 3.53Å; R213-L228 CarbonylContact O-C 3.58Å; R213-L228 VanDerWaalsContact O-CA 3.28Å; R213-L228 WeakPolarHBondContact O-CA 2.99Å; L214-L228 HydrophobicContact CB-CD2 4.22Å; L214-L228 HydrophobicContact CG-CD2 4.43Å; W226-L228 HydrophobicContact CB-CD1 3.58Å; W226-L228 HydrophobicContact CB-CG 4.35Å; W226-L228 WeakPolarHBondContact O-CD1 3.39Å; L228-F241 CarbonylContact O-C 3.59Å; L228-F241 WeakPolarHBondContact O-CA 3.5Å; L228-F241 WeakPolarHBondContact O-CB 3.47Å; L228-F241 WeakPolarHBondContact O-CD1 3.42Å; L228-F242 HydrophobicContact CB-CD1 3.97Å; L228-F242 HydrophobicContact CB-CE1 3.44Å; L228-F242 VanDerWaalsContact CB-CE1 3.44Å; L228-F242 HydrophobicContact CB-CE2 4.07Å; L228-F242 HydrophobicContact CB-CG 4.48Å; L228-F242 HydrophobicContact CB-CZ 3.51Å; L228-F242 HydrophobicContact CD1-CD2 4.24Å; L228-F242 HydrophobicContact CD1-CE2 3.71Å; L228-F242 HydrophobicContact CD1-CZ 3.93Å; L228-F242 HydrophobicContact CD2-CZ 4.12Å; L228-F242 HydrophobicContact CG-CE1 4.47Å; L228-F242 HydrophobicContact CG-CE2 4.35Å; L228-F242 HydrophobicContact CG-CZ 4.06Å; L228-F242 PolarHBondContact N-O 3.1Å; L228-F242 PolarHBondContact O-N 3.48Å; L228-L244 HydrophobicContact CD1-CB 3.7Å; L228-L244 HydrophobicContact CD1-CD2 4.42Å; L228-I253 HydrophobicContact CD2-CD1 3.56Å; L228-I253 HydrophobicContact CD2-CG1 4.44Å |
| 229 | A | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 129 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | I30 R213 V215 F241 | I30-A229 HydrophobicContact CD1-CB 3.57Å; R213-A229 HydrophobicContact CB-CB 4.33Å; R213-A229 PolarHBondContact N-O 2.99Å; R213-A229 VanDerWaalsContact N-O 3.13Å; R213-A229 PolarHBondContact O-N 2.97Å; V215-A229 HydrophobicContact CG1-CB 4.24Å; A229-F241 HydrophobicContact CB-CD1 4.03Å; A229-F241 HydrophobicContact CB-CE1 3.81Å |
| 230 | N | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -95.9 | 167.4 | 172.2 | -159.4 | 0.6 | 0 | 0 | 0 | 110.3 | H210 W232 W236 G240 F242 | H210-N230 PolarHBondContact NE2-OD1 2.72Å; N230-W232 VanDerWaalsContact ND2-CD2 3.33Å; N230-W236 HydrophobicContact CB-CE3 3.94Å; N230-W236 HydrophobicContact CB-CZ3 3.7Å; N230-W236 WeakPolarHBondContact ND2-CH2 3.48Å; N230-W236 WeakPolarHBondContact ND2-CZ3 3.35Å; N230-G240 WeakPolarHBondContact CB-O 3.43Å; N230-G240 PolarHBondContact N-O 2.96Å; N230-F242 HydrophobicContact CB-CD1 4.12Å; N230-F242 HydrophobicContact CB-CE1 4.14Å | ||
| 231 | S | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -111 | 30.9 | 179 | 47 | 0 | 0 | 0 | 0 | 112.5 | R31 D32 Q33 | R31-S231 CarbonylContact O-C 3.49Å; R31-S231 WeakPolarHBondContact O-CA 3.25Å; D32-S231 CarbonylContact C-O 3.4Å; D32-S231 WeakPolarHBondContact CA-O 3.45Å; Q33-S231 PolarHBondContact N-O 2.65Å; Q33-S231 PolarHBondContact OE1-OG 3.06Å |
| 232 | W | 98.5 | Very high | 98.3 | Very high | 12 Ų | 12 | 34 Ų | 34 | 5% | 0.045 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -113.2 | 34.1 | -177.6 | -67.3 | -8.1 | 0 | 0 | 0 | 112.3 | H120 Y121 F191 L192 H210 N230 W236 | H120-W232 HydrophobicContact CB-CB 3.72Å; H120-W232 HydrophobicContact CB-CD2 4.09Å; H120-W232 HydrophobicContact CB-CE3 4.27Å; H120-W232 HydrophobicContact CB-CG 3.86Å; H120-W232 VanDerWaalsContact CD2-CA 3.46Å; H120-W232 WeakPolarHBondContact CD2-CA 2.98Å; H120-W232 AromaticContact CE1-CD1 3.5Å; H120-W232 VanDerWaalsContact CE1-CD1 3.5Å; H120-W232 AromaticContact CG-CD1 3.82Å; H120-W232 AromaticContact CG-CG 3.55Å; H120-W232 AromaticContact ND1-CD1 3.38Å; H120-W232 AromaticContact ND1-CG 3.57Å; H120-W232 AromaticContact ND1-NE1 3.85Å; H120-W232 AromaticContact NE2-CD1 4Å; Y121-W232 HydrophobicContact CD2-CE3 4.13Å; Y121-W232 HydrophobicContact CD2-CH2 4.2Å; Y121-W232 AromaticContact CD2-CZ3 3.88Å; Y121-W232 HydrophobicContact CD2-CZ3 3.88Å; Y121-W232 HydrophobicContact CE2-CD2 4.47Å; Y121-W232 HydrophobicContact CE2-CE3 4.26Å; Y121-W232 AromaticContact CE2-CH2 3.76Å; Y121-W232 HydrophobicContact CE2-CH2 3.76Å; Y121-W232 AromaticContact CE2-CZ2 3.96Å; Y121-W232 HydrophobicContact CE2-CZ2 3.96Å; Y121-W232 AromaticContact CE2-CZ3 3.92Å; Y121-W232 HydrophobicContact CE2-CZ3 3.92Å; F191-W232 HydrophobicContact CD1-CH2 4.27Å; F191-W232 HydrophobicContact CD1-CZ3 4.28Å; F191-W232 HydrophobicContact CE1-CH2 4.16Å; F191-W232 HydrophobicContact CE1-CZ3 4.09Å; L192-W232 HydrophobicContact CD2-CH2 3.74Å; L192-W232 HydrophobicContact CD2-CZ3 4.18Å; H210-W232 AromaticContact CE1-CE2 3.92Å; H210-W232 AromaticContact CE1-CZ2 3.98Å; H210-W232 AromaticContact CE1-NE1 3.59Å; H210-W232 AromaticContact NE2-CE2 3.87Å; H210-W232 AromaticContact NE2-CZ2 3.87Å; H210-W232 AromaticContact NE2-NE1 3.89Å; N230-W232 VanDerWaalsContact ND2-CD2 3.33Å; W232-W236 HydrophobicContact CB-CB 4.13Å; W232-W236 HydrophobicContact CB-CD2 4.49Å; W232-W236 HydrophobicContact CB-CG 4.15Å; W232-W236 AromaticContact CE3-CD1 3.82Å; W232-W236 AromaticContact CE3-CD2 3.93Å; W232-W236 HydrophobicContact CE3-CD2 3.93Å; W232-W236 AromaticContact CE3-CE2 3.55Å; W232-W236 HydrophobicContact CE3-CG 4.11Å; W232-W236 HydrophobicContact CE3-CZ2 4Å; W232-W236 AromaticContact CE3-NE1 3.48Å; W232-W236 AromaticContact CZ3-CE2 3.84Å; W232-W236 AromaticContact CZ3-CZ2 3.93Å; W232-W236 HydrophobicContact CZ3-CZ2 3.93Å; W232-W236 AromaticContact CZ3-NE1 3.76Å; W232-W236 WeakPolarHBondContact O-CB 3.33Å |
| 233 | N | 98.1 | Very high | 98.4 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | trans | 61 | 166.9 | -177.5 | 76.2 | 59 | 0 | 0 | 0 | 116.2 | R31 D32 C118 E235 W236 G240 | R31-N233 WeakPolarHBondContact O-CA 3.18Å; R31-N233 PolarHBondContact O-N 3.27Å; D32-N233 HydrophobicContact CB-CB 3.92Å; D32-N233 WeakPolarHBondContact OD2-CB 3.25Å; D32-N233 PolarHBondContact OD2-ND2 2.89Å; C118-N233 PolarHBondContact O-ND2 3.48Å; N233-E235 VanDerWaalsContact C-N 3.26Å; N233-E235 PolarHBondContact O-N 2.01Å; N233-E235 WeakPolarHBondContact OD1-CA 3.03Å; N233-E235 VanDerWaalsContact OD1-CB 3.27Å; N233-E235 WeakPolarHBondContact OD1-CB 3.06Å; N233-E235 PolarHBondContact OD1-N 3.09Å; N233-W236 PolarHBondContact O-N 2.03Å; N233-G240 WeakPolarHBondContact O-CA 3.25Å | ||
| 234 | P | 97.9 | Very high | 98.5 | Very high | 71 Ų | 71 | 24 Ų | 24 | 46% | 0.461 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -11.3 | -178.2 | -21.8 | 33.9 | 0 | 0 | 0 | 115.9 | I30 W236 K239 G240 | I30-P234 HydrophobicContact CB-CG 4.18Å; I30-P234 HydrophobicContact CG2-CG 4.16Å; P234-W236 VanDerWaalsContact C-N 3.32Å; P234-K239 CarbonylContact O-C 3.4Å; P234-K239 WeakPolarHBondContact O-CA 3.42Å; P234-G240 PolarHBondContact O-N 3.4Å |
| 235 | E | 97.8 | Very high | 98.5 | Very high | 67 Ų | 67 | 22.3 Ų | 22.3 | 31% | 0.313 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -22.4 | 177.6 | -55.8 | -168.1 | 143.4 | 0 | 0 | 112.1 | I122 G124 T125 Y126 N233 | I122-E235 HydrophobicContact CD1-CB 4.05Å; I122-E235 WeakPolarHBondContact CD1-O 3.29Å; G124-E235 WeakPolarHBondContact CA-OE2 3.04Å; T125-E235 VanDerWaalsContact CB-OE1 3.23Å; T125-E235 WeakPolarHBondContact CB-OE1 3.22Å; T125-E235 WeakPolarHBondContact CG2-OE1 3.36Å; T125-E235 PolarHBondContact N-OE1 3.29Å; T125-E235 PolarHBondContact N-OE2 3.4Å; T125-E235 PolarHBondContact OG1-OE1 2.75Å; Y126-E235 HydrophobicContact CE2-CG 4.32Å; N233-E235 VanDerWaalsContact C-N 3.26Å; N233-E235 PolarHBondContact O-N 2.01Å; N233-E235 WeakPolarHBondContact OD1-CA 3.03Å; N233-E235 VanDerWaalsContact OD1-CB 3.27Å; N233-E235 WeakPolarHBondContact OD1-CB 3.06Å; N233-E235 PolarHBondContact OD1-N 3.09Å |
| 236 | W | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -81.2 | 139.6 | 177.6 | -176.6 | 91.4 | 0 | 0 | 0 | 111.9 | F191 L192 Y194 N230 W232 N233 P234 G240 F242 | F191-W236 HydrophobicContact CD1-CZ2 4.36Å; F191-W236 AromaticContact CE1-CH2 3.92Å; F191-W236 HydrophobicContact CE1-CH2 3.92Å; F191-W236 AromaticContact CE1-CZ2 3.86Å; F191-W236 HydrophobicContact CE1-CZ2 3.86Å; F191-W236 HydrophobicContact CE2-CH2 4.02Å; F191-W236 HydrophobicContact CE2-CZ2 4.38Å; F191-W236 AromaticContact CZ-CH2 3.5Å; F191-W236 HydrophobicContact CZ-CH2 3.5Å; F191-W236 VanDerWaalsContact CZ-CH2 3.5Å; F191-W236 AromaticContact CZ-CZ2 3.88Å; F191-W236 HydrophobicContact CZ-CZ2 3.88Å; L192-W236 PolarHBondContact O-NE1 2.87Å; Y194-W236 AromaticContact CD1-CH2 3.82Å; Y194-W236 HydrophobicContact CD1-CH2 3.82Å; Y194-W236 HydrophobicContact CD1-CZ2 4.16Å; Y194-W236 HydrophobicContact CD1-CZ3 4.23Å; Y194-W236 HydrophobicContact CG-CH2 4.38Å; Y194-W236 HydrophobicContact CG-CZ2 4.45Å; N230-W236 HydrophobicContact CB-CE3 3.94Å; N230-W236 HydrophobicContact CB-CZ3 3.7Å; N230-W236 WeakPolarHBondContact ND2-CH2 3.48Å; N230-W236 WeakPolarHBondContact ND2-CZ3 3.35Å; W232-W236 HydrophobicContact CB-CB 4.13Å; W232-W236 HydrophobicContact CB-CD2 4.49Å; W232-W236 HydrophobicContact CB-CG 4.15Å; W232-W236 AromaticContact CE3-CD1 3.82Å; W232-W236 AromaticContact CE3-CD2 3.93Å; W232-W236 HydrophobicContact CE3-CD2 3.93Å; W232-W236 AromaticContact CE3-CE2 3.55Å; W232-W236 HydrophobicContact CE3-CG 4.11Å; W232-W236 HydrophobicContact CE3-CZ2 4Å; W232-W236 AromaticContact CE3-NE1 3.48Å; W232-W236 AromaticContact CZ3-CE2 3.84Å; W232-W236 AromaticContact CZ3-CZ2 3.93Å; W232-W236 HydrophobicContact CZ3-CZ2 3.93Å; W232-W236 AromaticContact CZ3-NE1 3.76Å; W232-W236 WeakPolarHBondContact O-CB 3.33Å; N233-W236 PolarHBondContact O-N 2.03Å; P234-W236 VanDerWaalsContact C-N 3.32Å; W236-G240 WeakPolarHBondContact O-CA 3.14Å; W236-G240 PolarHBondContact O-N 3.29Å; W236-F242 HydrophobicContact CH2-CB 3.93Å; W236-F242 HydrophobicContact CH2-CD1 4.01Å; W236-F242 HydrophobicContact CH2-CG 4.06Å; W236-F242 HydrophobicContact CZ3-CB 3.9Å; W236-F242 AromaticContact CZ3-CD1 3.84Å; W236-F242 HydrophobicContact CZ3-CD1 3.84Å; W236-F242 HydrophobicContact CZ3-CG 4.16Å |
| 237 | G | 98.1 | Very high | 98.3 | Very high | 19 Ų | 19 | 24.2 Ų | 24.2 | 20% | 0.196 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | -140.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K195 K239 | K195-G237 CarbonylContact O-C 3.25Å; K195-G237 VanDerWaalsContact O-C 3.25Å; G237-K239 PolarHBondContact O-N 3.18Å |
| 238 | E | 98.3 | Very high | 98.1 | Very high | 52 Ų | 52 | 30.4 Ų | 30.4 | 24% | 0.243 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -90.1 | 75 | 179.7 | -64.4 | -174.3 | 146.2 | 0 | 0 | 110.1 | Y194 G197 G240 F241 K243 | Y194-E238 HydrophobicContact CE1-CG 4.28Å; G197-E238 PolarHBondContact N-OE1 3.03Å; E238-G240 VanDerWaalsContact C-N 3.32Å; E238-G240 PolarHBondContact O-N 3.23Å; E238-F241 PolarHBondContact N-O 3.16Å; E238-F241 WeakPolarHBondContact O-CB 3.37Å; E238-F241 PolarHBondContact O-N 3.44Å; E238-F241 VanDerWaalsContact O-N 3.11Å; E238-K243 IonicContact OE1-NZ 3.05Å; E238-K243 PolarHBondContact OE1-NZ 3.4Å; E238-K243 WeakPolarHBondContact OE2-CD 3.45Å; E238-K243 WeakPolarHBondContact OE2-CE 3.18Å; E238-K243 WeakPolarHBondContact OE2-CG 3.45Å; E238-K243 IonicContact OE2-NZ 3.36Å; E238-K243 PolarHBondContact OE2-NZ 3.21Å |
| 239 | K | 98 | Very high | 97.9 | Very high | 172 Ų | 172 | 32.3 Ų | 32.3 | 75% | 0.748 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 39.4 | -175.6 | -58.1 | -179.2 | 178.8 | 179.9 | 0 | 113.1 | P234 G237 F241 | P234-K239 CarbonylContact O-C 3.4Å; P234-K239 WeakPolarHBondContact O-CA 3.42Å; G237-K239 PolarHBondContact O-N 3.18Å; K239-F241 VanDerWaalsContact C-N 3.27Å; K239-F241 WeakPolarHBondContact O-CD2 3.46Å; K239-F241 PolarHBondContact O-N 2.91Å |
| 240 | G | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | -7.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.9 | N230 N233 P234 W236 E238 | N230-G240 WeakPolarHBondContact CB-O 3.43Å; N230-G240 PolarHBondContact N-O 2.96Å; N233-G240 WeakPolarHBondContact O-CA 3.25Å; P234-G240 PolarHBondContact O-N 3.4Å; W236-G240 WeakPolarHBondContact O-CA 3.14Å; W236-G240 PolarHBondContact O-N 3.29Å; E238-G240 VanDerWaalsContact C-N 3.32Å; E238-G240 PolarHBondContact O-N 3.23Å |
| 241 | F | 98.8 | Very high | 97.7 | Very high | 14 Ų | 14 | 33.8 Ų | 33.8 | 6% | 0.061 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 163.1 | 171.7 | -62.6 | -95.6 | 0 | 0 | 0 | 110.9 | I30 V215 L227 L228 A229 E238 K239 | I30-F241 HydrophobicContact CD1-CD1 4.35Å; I30-F241 HydrophobicContact CD1-CD2 3.98Å; I30-F241 HydrophobicContact CD1-CE1 4.06Å; I30-F241 HydrophobicContact CD1-CE2 3.66Å; I30-F241 HydrophobicContact CD1-CG 4.31Å; I30-F241 HydrophobicContact CD1-CZ 3.69Å; I30-F241 HydrophobicContact CG1-CD2 4.13Å; I30-F241 HydrophobicContact CG1-CE2 3.65Å; I30-F241 HydrophobicContact CG1-CZ 4.07Å; V215-F241 HydrophobicContact CG2-CD1 4.21Å; V215-F241 HydrophobicContact CG2-CE1 4.06Å; L227-F241 HydrophobicContact CD1-CB 4.15Å; L227-F241 HydrophobicContact CD1-CD1 4.29Å; L227-F241 HydrophobicContact CG-CD1 4.41Å; L228-F241 CarbonylContact O-C 3.59Å; L228-F241 WeakPolarHBondContact O-CA 3.5Å; L228-F241 WeakPolarHBondContact O-CB 3.47Å; L228-F241 WeakPolarHBondContact O-CD1 3.42Å; A229-F241 HydrophobicContact CB-CD1 4.03Å; A229-F241 HydrophobicContact CB-CE1 3.81Å; E238-F241 PolarHBondContact N-O 3.16Å; E238-F241 WeakPolarHBondContact O-CB 3.37Å; E238-F241 PolarHBondContact O-N 3.44Å; E238-F241 VanDerWaalsContact O-N 3.11Å; K239-F241 VanDerWaalsContact C-N 3.27Å; K239-F241 WeakPolarHBondContact O-CD2 3.46Å; K239-F241 PolarHBondContact O-N 2.91Å |
| 242 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 158.2 | 167.2 | 66.3 | -77.1 | 0 | 0 | 0 | 110.8 | I185 F191 Y194 V212 L228 N230 W236 L244 | I185-F242 HydrophobicContact CD1-CE2 4.28Å; I185-F242 HydrophobicContact CD1-CZ 4.01Å; F191-F242 AromaticContact CE2-CD2 3.6Å; F191-F242 HydrophobicContact CE2-CD2 3.6Å; F191-F242 AromaticContact CE2-CE2 3.67Å; F191-F242 HydrophobicContact CE2-CE2 3.67Å; F191-F242 HydrophobicContact CE2-CG 4.13Å; F191-F242 HydrophobicContact CE2-CZ 4.27Å; F191-F242 HydrophobicContact CZ-CD1 4.24Å; F191-F242 AromaticContact CZ-CD2 3.89Å; F191-F242 HydrophobicContact CZ-CD2 3.89Å; F191-F242 HydrophobicContact CZ-CE1 4.11Å; F191-F242 AromaticContact CZ-CE2 3.74Å; F191-F242 HydrophobicContact CZ-CE2 3.74Å; F191-F242 HydrophobicContact CZ-CG 4.13Å; F191-F242 AromaticContact CZ-CZ 3.85Å; F191-F242 HydrophobicContact CZ-CZ 3.85Å; Y194-F242 HydrophobicContact CD1-CB 3.8Å; Y194-F242 HydrophobicContact CE1-CB 3.36Å; V212-F242 HydrophobicContact CB-CE1 4.32Å; V212-F242 HydrophobicContact CB-CZ 4.31Å; V212-F242 HydrophobicContact CG1-CE1 3.97Å; V212-F242 HydrophobicContact CG1-CZ 4.03Å; V212-F242 HydrophobicContact CG2-CZ 4.2Å; L228-F242 HydrophobicContact CB-CD1 3.97Å; L228-F242 HydrophobicContact CB-CE1 3.44Å; L228-F242 VanDerWaalsContact CB-CE1 3.44Å; L228-F242 HydrophobicContact CB-CE2 4.07Å; L228-F242 HydrophobicContact CB-CG 4.48Å; L228-F242 HydrophobicContact CB-CZ 3.51Å; L228-F242 HydrophobicContact CD1-CD2 4.24Å; L228-F242 HydrophobicContact CD1-CE2 3.71Å; L228-F242 HydrophobicContact CD1-CZ 3.93Å; L228-F242 HydrophobicContact CD2-CZ 4.12Å; L228-F242 HydrophobicContact CG-CE1 4.47Å; L228-F242 HydrophobicContact CG-CE2 4.35Å; L228-F242 HydrophobicContact CG-CZ 4.06Å; L228-F242 PolarHBondContact N-O 3.1Å; L228-F242 PolarHBondContact O-N 3.48Å; N230-F242 HydrophobicContact CB-CD1 4.12Å; N230-F242 HydrophobicContact CB-CE1 4.14Å; W236-F242 HydrophobicContact CH2-CB 3.93Å; W236-F242 HydrophobicContact CH2-CD1 4.01Å; W236-F242 HydrophobicContact CH2-CG 4.06Å; W236-F242 HydrophobicContact CZ3-CB 3.9Å; W236-F242 AromaticContact CZ3-CD1 3.84Å; W236-F242 HydrophobicContact CZ3-CD1 3.84Å; W236-F242 HydrophobicContact CZ3-CG 4.16Å; F242-L244 HydrophobicContact CD2-CB 4.32Å; F242-L244 HydrophobicContact CE2-CB 4.11Å |
| 243 | K | 98.7 | Very high | 97.5 | Very high | 26 Ų | 26 | 38.6 Ų | 38.6 | 11% | 0.113 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.3 | 175 | -54.3 | 168.8 | 179.2 | 151.7 | 0 | 108.2 | Y194 G197 I198 Y199 E220 Y225 W226 E238 | Y194-K243 PolarHBondContact OH-N 3.3Å; G197-K243 WeakPolarHBondContact O-CB 3.13Å; I198-K243 HydrophobicContact CG1-CB 4.24Å; I198-K243 HydrophobicContact CG1-CD 4.38Å; Y199-K243 WeakPolarHBondContact CB-O 3.39Å; Y199-K243 PolarHBondContact N-O 3.14Å; E220-K243 IonicContact OE2-NZ 2.79Å; E220-K243 PolarHBondContact OE2-NZ 3.08Å; Y225-K243 HydrophobicContact CD2-CB 3.55Å; Y225-K243 HydrophobicContact CD2-CD 4.2Å; Y225-K243 HydrophobicContact CD2-CG 3.66Å; Y225-K243 HydrophobicContact CE1-CD 4.26Å; Y225-K243 HydrophobicContact CE2-CB 3.97Å; Y225-K243 HydrophobicContact CE2-CD 3.88Å; Y225-K243 HydrophobicContact CE2-CG 3.5Å; Y225-K243 HydrophobicContact CG-CB 3.97Å; Y225-K243 HydrophobicContact CG-CG 4.34Å; W226-K243 WeakPolarHBondContact O-CA 3.24Å; E238-K243 IonicContact OE1-NZ 3.05Å; E238-K243 PolarHBondContact OE1-NZ 3.4Å; E238-K243 WeakPolarHBondContact OE2-CD 3.45Å; E238-K243 WeakPolarHBondContact OE2-CE 3.18Å; E238-K243 WeakPolarHBondContact OE2-CG 3.45Å; E238-K243 IonicContact OE2-NZ 3.36Å; E238-K243 PolarHBondContact OE2-NZ 3.21Å |
| 244 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 135.9 | 176.6 | 174.1 | 64.7 | 0 | 0 | 0 | 109.5 | I185 Y199 Y225 W226 L228 F242 R246 V251 I253 | I185-L244 HydrophobicContact CG2-CD2 4.11Å; Y199-L244 HydrophobicContact CD1-CD1 3.51Å; Y199-L244 HydrophobicContact CE1-CD1 4.07Å; Y225-L244 CarbonylContact C-O 3.5Å; Y225-L244 WeakPolarHBondContact CA-O 3.37Å; Y225-L244 VanDerWaalsContact CB-O 3.31Å; Y225-L244 WeakPolarHBondContact CB-O 3.2Å; W226-L244 PolarHBondContact N-O 3.23Å; W226-L244 PolarHBondContact O-N 3.5Å; L228-L244 HydrophobicContact CD1-CB 3.7Å; L228-L244 HydrophobicContact CD1-CD2 4.42Å; F242-L244 HydrophobicContact CD2-CB 4.32Å; F242-L244 HydrophobicContact CE2-CB 4.11Å; L244-R246 PolarHBondContact O-N 3.26Å; L244-V251 HydrophobicContact CD1-CG2 3.82Å; L244-V251 HydrophobicContact CD2-CG2 3.71Å; L244-V251 HydrophobicContact CG-CG2 4.46Å; L244-I253 HydrophobicContact CD2-CB 3.51Å; L244-I253 HydrophobicContact CD2-CD1 4.2Å; L244-I253 HydrophobicContact CD2-CG1 3.7Å; L244-I253 HydrophobicContact CD2-CG2 3.66Å; L244-I253 HydrophobicContact CG-CG2 4.43Å |
| 245 | I | 98.2 | Very high | 97.4 | Very high | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 131.3 | 179.2 | -167.8 | 162.4 | 0 | 0 | 0 | 111.4 | I198 Y199 Q200 T223 K248 | I198-I245 HydrophobicContact CG2-CB 3.91Å; Y199-I245 PolarHBondContact O-N 3.32Å; Q200-I245 HydrophobicContact CB-CB 4.45Å; Q200-I245 HydrophobicContact CB-CG2 4Å; Q200-I245 HydrophobicContact CG-CG2 4.02Å; T223-I245 HydrophobicContact CG2-CD1 4.37Å; T223-I245 HydrophobicContact CG2-CG1 4.47Å; I245-K248 HydrophobicContact CD1-CD 3.74Å; I245-K248 HydrophobicContact CG1-CD 4.22Å |
| 246 | R | 97.9 | Very high | 97.2 | Very high | 19 Ų | 19 | 41.9 Ų | 41.9 | 7% | 0.072 | 21% | 0.207 | C | C | . | . | trans | -102.9 | 148.8 | -175.9 | 166.8 | 170.2 | 55.8 | 88.1 | -5.4 | 111.6 | E168 K218 P224 Y225 W226 L244 K248 | E168-R246 HydrophobicContact CG-CG 3.84Å; E168-R246 WeakPolarHBondContact OE1-CD 3.32Å; E168-R246 WeakPolarHBondContact OE1-CG 3.41Å; E168-R246 IonicContact OE1-CZ 3.64Å; E168-R246 IonicContact OE1-NE 3.55Å; E168-R246 IonicContact OE1-NH1 3.65Å; E168-R246 PolarHBondContact OE1-NH1 2.84Å; K218-R246 PolarHBondContact O-NH2 2.61Å; P224-R246 HydrophobicContact CB-CB 4.27Å; P224-R246 PolarHBondContact O-N 3.4Å; Y225-R246 PolarHBondContact O-NE 3.21Å; W226-R246 HydrophobicContact CD2-CB 4.1Å; W226-R246 HydrophobicContact CD2-CG 3.97Å; W226-R246 VanDerWaalsContact CE2-CG 3.44Å; W226-R246 HydrophobicContact CG-CB 3.98Å; W226-R246 HydrophobicContact CG-CG 4.38Å; W226-R246 HydrophobicContact CH2-CG 4.34Å; W226-R246 HydrophobicContact CZ2-CG 3.66Å; L244-R246 PolarHBondContact O-N 3.26Å; R246-K248 VanDerWaalsContact C-N 3.31Å; R246-K248 PolarHBondContact O-N 3.01Å | ||
| 247 | G | 95.9 | Very high | 97.2 | Very high | 37 Ų | 37 | 42 Ų | 42 | 38% | 0.381 | 21% | 0.208 | S | C | . | . | S | Bend | trans | 80.4 | 12.2 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | E168 E254 | E168-G247 WeakPolarHBondContact OE2-CA 3.1Å; G247-E254 PolarHBondContact N-OE1 2.95Å |
| 248 | K | 95.6 | Very high | 97.2 | Very high | 138 Ų | 138 | 41.1 Ų | 41.1 | 60% | 0.6 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -123.6 | 4.5 | 177.4 | -61.3 | -167.3 | -176.7 | 179.6 | 0 | 112.8 | I245 R246 S250 | I245-K248 HydrophobicContact CD1-CD 3.74Å; I245-K248 HydrophobicContact CG1-CD 4.22Å; R246-K248 VanDerWaalsContact C-N 3.31Å; R246-K248 PolarHBondContact O-N 3.01Å; K248-S250 PolarHBondContact O-N 2.96Å |
| 249 | D | 93.9 | Very high | 97.3 | Very high | 39 Ų | 39 | 38.7 Ų | 38.7 | 21% | 0.209 | 19% | 0.188 | C | C | . | . | trans | 45.3 | 37.3 | -172 | -165.4 | 33 | 0 | 0 | 0 | 113.3 | V251 F252 I253 E254 Q255 | D249-V251 PolarHBondContact O-N 3.16Å; D249-F252 PolarHBondContact O-N 2.87Å; D249-F252 VanDerWaalsContact O-N 3.11Å; D249-F252 WeakPolarHBondContact OD1-CA 3.4Å; D249-I253 PolarHBondContact OD1-N 3.22Å; D249-E254 HydrophobicContact CB-CB 4.44Å; D249-E254 WeakPolarHBondContact OD1-CA 3.41Å; D249-E254 WeakPolarHBondContact OD1-CB 3.43Å; D249-E254 PolarHBondContact OD1-N 3.48Å; D249-Q255 VanDerWaalsContact OD2-CG 3.29Å; D249-Q255 WeakPolarHBondContact OD2-CG 3.34Å; D249-Q255 PolarHBondContact OD2-NE2 3.26Å | ||
| 250 | S | 95.1 | Very high | 97.2 | Very high | 19 Ų | 19 | 30.5 Ų | 30.5 | 13% | 0.133 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -61.7 | 134.8 | -179.9 | -172.2 | 0 | 0 | 0 | 0 | 108.9 | K248 F252 I253 | K248-S250 PolarHBondContact O-N 2.96Å; S250-F252 PolarHBondContact O-N 3.27Å; S250-F252 VanDerWaalsContact O-N 3.07Å; S250-I253 VanDerWaalsContact O-CG2 3.27Å; S250-I253 WeakPolarHBondContact O-CG2 3.02Å; S250-I253 PolarHBondContact O-N 3.07Å |
| 251 | V | 97.3 | Very high | 97.2 | Very high | 12 Ų | 12 | 33 Ų | 33 | 7% | 0.073 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | 51 | 28.8 | -175.8 | -57.9 | 0 | 0 | 0 | 0 | 114.3 | I185 A186 Y188 Y199 H201 L244 D249 I253 | I185-V251 WeakPolarHBondContact CA-O 3.49Å; I185-V251 HydrophobicContact CB-CB 4.48Å; I185-V251 HydrophobicContact CB-CG2 3.86Å; I185-V251 HydrophobicContact CG2-CG2 3.92Å; A186-V251 HydrophobicContact CB-CB 4.28Å; A186-V251 PolarHBondContact N-O 3.3Å; A186-V251 VanDerWaalsContact O-CB 3.29Å; A186-V251 WeakPolarHBondContact O-CB 3.12Å; A186-V251 WeakPolarHBondContact O-CG1 3.29Å; Y188-V251 HydrophobicContact CD2-CG1 3.98Å; Y188-V251 HydrophobicContact CE2-CG1 3.94Å; Y199-V251 HydrophobicContact CE1-CG1 4.12Å; H201-V251 HydrophobicContact CB-CG1 4.09Å; L244-V251 HydrophobicContact CD1-CG2 3.82Å; L244-V251 HydrophobicContact CD2-CG2 3.71Å; L244-V251 HydrophobicContact CG-CG2 4.46Å; D249-V251 PolarHBondContact O-N 3.16Å; V251-I253 PolarHBondContact O-N 2.81Å |
| 252 | F | 97.2 | Very high | 97 | Very high | 117 Ų | 117 | 33.7 Ų | 33.7 | 51% | 0.513 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | 63.3 | 19.8 | 177.3 | -47.7 | -73.1 | 0 | 0 | 0 | 115.7 | A186 D249 S250 E254 Q255 | A186-F252 HydrophobicContact CB-CD2 3.82Å; A186-F252 HydrophobicContact CB-CE2 4.17Å; D249-F252 PolarHBondContact O-N 2.87Å; D249-F252 VanDerWaalsContact O-N 3.11Å; D249-F252 WeakPolarHBondContact OD1-CA 3.4Å; S250-F252 PolarHBondContact O-N 3.27Å; S250-F252 VanDerWaalsContact O-N 3.07Å; F252-E254 PolarHBondContact O-N 3.1Å; F252-E254 VanDerWaalsContact O-N 3.09Å; F252-Q255 HydrophobicContact CB-CG 4.24Å; F252-Q255 PolarHBondContact O-N 3.29Å |
| 253 | I | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -27.6 | -175.7 | -177.4 | 63.1 | 0 | 0 | 0 | 114.1 | A183 I185 L228 L244 D249 S250 V251 C257 | A183-I253 HydrophobicContact CB-CD1 3.57Å; I185-I253 HydrophobicContact CG2-CB 3.94Å; I185-I253 HydrophobicContact CG2-CD1 3.37Å; I185-I253 HydrophobicContact CG2-CG1 4.17Å; L228-I253 HydrophobicContact CD2-CD1 3.56Å; L228-I253 HydrophobicContact CD2-CG1 4.44Å; L244-I253 HydrophobicContact CD2-CB 3.51Å; L244-I253 HydrophobicContact CD2-CD1 4.2Å; L244-I253 HydrophobicContact CD2-CG1 3.7Å; L244-I253 HydrophobicContact CD2-CG2 3.66Å; L244-I253 HydrophobicContact CG-CG2 4.43Å; D249-I253 PolarHBondContact OD1-N 3.22Å; S250-I253 VanDerWaalsContact O-CG2 3.27Å; S250-I253 WeakPolarHBondContact O-CG2 3.02Å; S250-I253 PolarHBondContact O-N 3.07Å; V251-I253 PolarHBondContact O-N 2.81Å; I253-C257 PolarHBondContact O-SG 2.89Å; I253-C257 VanDerWaalsContact O-SG 3.4Å |
| 254 | E | 96.9 | Very high | 94.2 | Very high | 13 Ų | 13 | 37 Ų | 37 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 3.5 | -176.2 | -74.5 | 153.1 | -155.5 | 0 | 0 | 112.6 | S166 G167 K171 W226 G247 D249 F252 | S166-E254 WeakPolarHBondContact CA-O 3.49Å; S166-E254 VanDerWaalsContact CB-O 3.27Å; S166-E254 WeakPolarHBondContact CB-O 3.18Å; G167-E254 PolarHBondContact N-O 3.43Å; G167-E254 VanDerWaalsContact N-O 3.1Å; K171-E254 WeakPolarHBondContact CE-O 3.46Å; K171-E254 HydrophobicContact CG-CG 4.4Å; K171-E254 PolarHBondContact NZ-O 3.13Å; W226-E254 HydrophobicContact CZ2-CG 4.22Å; W226-E254 PolarHBondContact NE1-OE1 3.02Å; G247-E254 PolarHBondContact N-OE1 2.95Å; D249-E254 HydrophobicContact CB-CB 4.44Å; D249-E254 WeakPolarHBondContact OD1-CA 3.41Å; D249-E254 WeakPolarHBondContact OD1-CB 3.43Å; D249-E254 PolarHBondContact OD1-N 3.48Å; F252-E254 PolarHBondContact O-N 3.1Å; F252-E254 VanDerWaalsContact O-N 3.09Å |
| 255 | Q | 95 | Very high | 91.9 | Very high | 89 Ų | 89 | 44.9 Ų | 44.9 | 42% | 0.416 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -73.5 | -177.8 | -58 | -65.7 | -4.5 | 0 | 0 | 112 | S166 K171 D249 F252 C257 | S166-Q255 VanDerWaalsContact CB-OE1 3.27Å; K171-Q255 PolarHBondContact NZ-O 3.14Å; D249-Q255 VanDerWaalsContact OD2-CG 3.29Å; D249-Q255 WeakPolarHBondContact OD2-CG 3.34Å; D249-Q255 PolarHBondContact OD2-NE2 3.26Å; F252-Q255 HydrophobicContact CB-CG 4.24Å; F252-Q255 PolarHBondContact O-N 3.29Å; Q255-C257 PolarHBondContact O-N 2.98Å |
| 256 | E | 95.2 | Very high | 89 | Confident | 107 Ų | 107 | 51.6 Ų | 51.6 | 50% | 0.5 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -93.6 | 94.6 | -171.3 | -68.3 | -174.9 | -175 | 0 | 0 | 110.8 | T184 | T184-E256 PolarHBondContact N-O 2.75Š|
| 257 | C | 98.2 | Very high | 85.6 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.014 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 143.2 | 171.6 | -44.5 | 0 | 0 | 0 | 0 | 110.5 | I164 K171 F181 E182 A183 I253 Q255 | I164-C257 HydrophobicContact CB-CB 4.13Å; I164-C257 HydrophobicContact CD1-CB 3.81Å; I164-C257 HydrophobicContact CG1-CB 4.5Å; I164-C257 PolarHBondContact N-O 2.05Å; K171-C257 HydrophobicContact CD-CB 4.38Å; K171-C257 WeakPolarHBondContact CE-SG 3.2Å; K171-C257 PolarHBondContact NZ-SG 3.09Å; F181-C257 HydrophobicContact CD2-CB 3.88Å; F181-C257 HydrophobicContact CE2-CB 3.73Å; E182-C257 CarbonylContact O-C 3.45Å; E182-C257 WeakPolarHBondContact O-CA 3.35Å; E182-C257 VanDerWaalsContact O-CB 3.28Å; E182-C257 WeakPolarHBondContact O-CB 3.47Å; A183-C257 HydrophobicContact CB-CB 4.37Å; I253-C257 PolarHBondContact O-SG 2.89Å; I253-C257 VanDerWaalsContact O-SG 3.4Å; Q255-C257 PolarHBondContact O-N 2.98Å |
| 258 | A | 98.6 | Very high | 82.2 | Confident | 2 Ų | 2 | 58 Ų | 58 | 2% | 0.017 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 143.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y87 W90 M163 E182 | Y87-A258 HydrophobicContact CD2-CB 4.29Å; W90-A258 VanDerWaalsContact CD1-CB 3.5Å; W90-A258 HydrophobicContact CG-CB 4.24Å; M163-A258 HydrophobicContact SD-CB 4.38Å; E182-A258 PolarHBondContact N-O 2.88Å; E182-A258 VanDerWaalsContact N-O 3.14Å; E182-A258 PolarHBondContact O-N 2.92Å |
| 259 | G | 98.3 | Very high | 79.1 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 179.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y162 | Y162-G259 PolarHBondContact N-O 2.99Å; Y162-G259 PolarHBondContact O-N 2.94Å |
| 260 | G | 97.9 | Very high | 78.3 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.2 | 170.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | R51 W90 A160 | R51-G260 VanDerWaalsContact CD-O 3.24Å; R51-G260 WeakPolarHBondContact CD-O 3.39Å; R51-G260 PolarHBondContact NH1-O 2.82Å; W90-G260 VanDerWaalsContact CE3-N 3.28Å; A160-G260 CarbonylContact O-C 3.54Å; A160-G260 WeakPolarHBondContact O-CA 3.29Å |
| 261 | L | 97.7 | Very high | 77.4 | Confident | 53 Ų | 53 | 64.3 Ų | 64.3 | 28% | 0.277 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 141.8 | -179 | -59.4 | 178.6 | 0 | 0 | 0 | 110.2 | W93 G158 S159 A160 Y162 Y178 | W93-L261 VanDerWaalsContact CH2-C 3.5Å; W93-L261 VanDerWaalsContact CH2-O 3.24Å; W93-L261 WeakPolarHBondContact CH2-O 3.21Å; G158-L261 CarbonylContact C-O 3.6Å; G158-L261 WeakPolarHBondContact CA-O 3.43Å; S159-L261 PolarHBondContact N-O 3.37Å; S159-L261 WeakPolarHBondContact OG-CB 3.3Å; S159-L261 PolarHBondContact OG-O 3.02Å; A160-L261 HydrophobicContact CB-CB 4.45Å; A160-L261 PolarHBondContact O-N 3.25Å; Y162-L261 HydrophobicContact CE1-CD2 4.48Å; Y162-L261 HydrophobicContact CE1-CG 4.08Å; Y178-L261 HydrophobicContact CD1-CD2 3.4Å; Y178-L261 VanDerWaalsContact CD1-CD2 3.4Å; Y178-L261 HydrophobicContact CD2-CD2 4.36Å; Y178-L261 HydrophobicContact CE1-CD2 3.47Å; Y178-L261 VanDerWaalsContact CE1-CD2 3.47Å; Y178-L261 HydrophobicContact CE2-CD2 4.4Å; Y178-L261 HydrophobicContact CG-CD2 3.87Å |
| 262 | F | 94.9 | Very high | 76.3 | Confident | 29 Ų | 29 | 67.2 Ų | 67.2 | 13% | 0.127 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 136.4 | 171 | 177.9 | -126.7 | 0 | 0 | 0 | 110 | I52 A55 T56 W93 Y156 Y157 S159 | I52-F262 HydrophobicContact CB-CD2 4.45Å; I52-F262 HydrophobicContact CB-CG 4.41Å; I52-F262 HydrophobicContact CD1-CD2 4.25Å; I52-F262 HydrophobicContact CD1-CE2 4.42Å; I52-F262 HydrophobicContact CG1-CB 4.17Å; I52-F262 HydrophobicContact CG1-CD2 3.58Å; I52-F262 HydrophobicContact CG1-CE2 4.06Å; I52-F262 HydrophobicContact CG1-CG 3.87Å; I52-F262 HydrophobicContact CG2-CD1 4.31Å; I52-F262 HydrophobicContact CG2-CD2 4.35Å; I52-F262 HydrophobicContact CG2-CE1 4.2Å; I52-F262 HydrophobicContact CG2-CE2 4.23Å; I52-F262 HydrophobicContact CG2-CG 4.38Å; I52-F262 HydrophobicContact CG2-CZ 4.15Å; A55-F262 HydrophobicContact CB-CB 4.14Å; A55-F262 HydrophobicContact CB-CD1 4.36Å; T56-F262 HydrophobicContact CG2-CD1 3.83Å; T56-F262 HydrophobicContact CG2-CE1 3.53Å; W93-F262 HydrophobicContact CH2-CB 4.41Å; W93-F262 HydrophobicContact CZ2-CD2 4.23Å; Y156-F262 HydrophobicContact CD1-CE2 4.22Å; Y156-F262 HydrophobicContact CD1-CZ 4.5Å; Y157-F262 WeakPolarHBondContact O-CD2 3.41Å; S159-F262 PolarHBondContact OG-O 3.26Å; S159-F262 VanDerWaalsContact OG-O 3.07Å |
| 263 | G | 78.2 | Confident | 75.1 | Confident | 11 Ų | 11 | 64.2 Ų | 64.2 | 11% | 0.113 | 38% | 0.379 | C | S | . | . | trans | -97 | 105.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y157 F265 | Y157-G263 PolarHBondContact O-N 3.05Å; G263-F265 PolarHBondContact O-N 2.76Å | ||
| 264 | S | 59.6 | Low | 73.7 | Confident | 83 Ų | 83 | 68.3 Ų | 68.3 | 58% | 0.58 | 40% | 0.402 | S | S | * | . | trans | -78.5 | 100.9 | 163.7 | 59 | 0 | 0 | 0 | 0 | 108.4 | D266 | S264-D266 PolarHBondContact O-N 3.13Š| ||
| 265 | F | 50.9 | Low | 72.1 | Confident | 166 Ų | 166 | 71.9 Ų | 71.9 | 73% | 0.728 | 43% | 0.425 | S | S | * | . | trans | -75.7 | 100.1 | 151.6 | -73 | -80.7 | 0 | 0 | 0 | 106.1 | G263 S267 | G263-F265 PolarHBondContact O-N 2.76Å; F265-S267 PolarHBondContact O-N 2.79Å | ||
| 266 | D | 36.1 | Very low | 70.5 | Confident | 147 Ų | 147 | 70.7 Ų | 70.7 | 79% | 0.786 | 43% | 0.426 | S | S | * | . | trans | -66.6 | 85.7 | 155.3 | -80.5 | -26.4 | 0 | 0 | 0 | 106.2 | S264 A268 | S264-D266 PolarHBondContact O-N 3.13Å; D266-A268 PolarHBondContact O-N 3Å | ||
| 267 | S | 26.9 | Very low | 68.6 | Low | 120 Ų | 120 | 67.9 Ų | 67.9 | 84% | 0.839 | 42% | 0.42 | S | S | * | . | trans | -75 | 72.6 | 156.6 | 61.1 | 0 | 0 | 0 | 0 | 107.1 | F265 | F265-S267 PolarHBondContact O-N 2.79Š| ||
| 268 | A | 24.9 | Very low | 66.1 | Low | 72 Ų | 72 | 73.4 Ų | 73.4 | 60% | 0.595 | 45% | 0.454 | S | S | * | . | trans | -144.1 | 99.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108 | D266 | D266-A268 PolarHBondContact O-N 3Š| ||
| 269 | S | 29.8 | Very low | 63.2 | Low | 198 Ų | 198 | 79.9 Ų | 79.9 | 100% | 1.385 | 49% | 0.494 | S | S | * | . | trans | 58.3 | 0 | 161.7 | 61.9 | 0 | 0 | 0 | 0 | 118.8 |
Retrieved 269 of 269 residues in 324.6 ms
(Link to these results)