| 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 | 40.3 | Very low | 86.3 | Confident | 242 Ų | 242 | 76.5 Ų | 76.5 | 100% | 1.192 | 44% | 0.444 | S | S | * | . | 0 | 126 | 0 | -66.8 | 179.9 | -156.4 | 0 | 0 | 106.8 | S3 | M1-S3 PolarHBondContact O-N 3.36Š| |||
| 2 | S | 56.4 | Low | 87.3 | Confident | 124 Ų | 124 | 72.1 Ų | 72.1 | 87% | 0.867 | 42% | 0.416 | S | S | * | . | trans | -62.8 | 125.7 | 168.3 | 135.8 | 0 | 0 | 0 | 0 | 107 | N4 | S2-N4 PolarHBondContact O-N 3.29Š| ||
| 3 | S | 71.2 | Confident | 88.1 | Confident | 55 Ų | 55 | 67.6 Ų | 67.6 | 39% | 0.385 | 40% | 0.395 | S | S | . | . | trans | -70.9 | 124.2 | -179.9 | 40.8 | 0 | 0 | 0 | 0 | 109.5 | M1 V5 | M1-S3 PolarHBondContact O-N 3.36Å; S3-V5 VanDerWaalsContact C-N 3.32Å; S3-V5 PolarHBondContact O-N 2.96Å | ||
| 4 | N | 93.2 | Very high | 88.9 | Confident | 105 Ų | 105 | 62.8 Ų | 62.8 | 56% | 0.561 | 37% | 0.367 | S | S | * | . | trans | -78.5 | 81.2 | 177.7 | -177.1 | -3.2 | 0 | 0 | 0 | 109.9 | S2 P6 G7 K8 | S2-N4 PolarHBondContact O-N 3.29Å; N4-P6 WeakPolarHBondContact OD1-CD 3.36Å; N4-G7 PolarHBondContact O-N 2.89Å; N4-G7 PolarHBondContact OD1-N 3.32Å; N4-K8 PolarHBondContact O-N 3.08Å | ||
| 5 | V | 98.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.006 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.1 | -48.2 | 179.8 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | S3 G7 K8 F9 P23 L26 L39 | S3-V5 VanDerWaalsContact C-N 3.32Å; S3-V5 PolarHBondContact O-N 2.96Å; V5-G7 VanDerWaalsContact C-N 3.33Å; V5-G7 PolarHBondContact O-N 3.35Å; V5-K8 PolarHBondContact O-N 3.48Å; V5-F9 HydrophobicContact CG1-CD2 3.83Å; V5-F9 HydrophobicContact CG1-CE2 3.76Å; V5-F9 WeakPolarHBondContact O-CD2 3.12Å; V5-F9 PolarHBondContact O-N 3.31Å; V5-P23 HydrophobicContact CG1-CG 4.04Å; V5-P23 WeakPolarHBondContact CG1-O 3.43Å; V5-L26 HydrophobicContact CG2-CB 4.1Å; V5-L26 HydrophobicContact CG2-CD1 4.19Å; V5-L39 HydrophobicContact CB-CD2 4.4Å; V5-L39 HydrophobicContact CG1-CD2 4.11Å; V5-L39 HydrophobicContact CG2-CD1 4.14Å; V5-L39 HydrophobicContact CG2-CD2 4.08Å |
| 6 | P | 98 | Very high | 90.1 | Very high | 32 Ų | 32 | 63.9 Ų | 63.9 | 21% | 0.208 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 177.3 | -24.3 | 33.1 | 0 | 0 | 0 | 113.6 | N4 K8 F9 A10 A22 P23 E24 | N4-P6 WeakPolarHBondContact OD1-CD 3.36Å; P6-K8 VanDerWaalsContact C-N 3.33Å; P6-K8 PolarHBondContact O-N 3.07Å; P6-F9 PolarHBondContact O-N 3.18Å; P6-A10 PolarHBondContact O-N 3.06Å; P6-A22 HydrophobicContact CB-CB 4.02Å; P6-P23 WeakPolarHBondContact CD-O 3.29Å; P6-P23 WeakPolarHBondContact CG-O 3.46Å; P6-E24 WeakPolarHBondContact CG-OE2 3.42Å |
| 7 | G | 98.1 | Very high | 90.6 | Very high | 27 Ų | 27 | 63.5 Ų | 63.5 | 28% | 0.278 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N4 V5 A10 E11 | N4-G7 PolarHBondContact O-N 2.89Å; N4-G7 PolarHBondContact OD1-N 3.32Å; V5-G7 VanDerWaalsContact C-N 3.33Å; V5-G7 PolarHBondContact O-N 3.35Å; G7-A10 PolarHBondContact O-N 2.87Å; G7-E11 WeakPolarHBondContact O-CB 3.29Å; G7-E11 PolarHBondContact O-N 3.38Å |
| 8 | K | 98.4 | Very high | 91 | Very high | 69 Ų | 69 | 60.2 Ų | 60.2 | 30% | 0.3 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -71 | -35.2 | 177.9 | -74.9 | -69.2 | -179.2 | -168.2 | 0 | 113.3 | N4 V5 P6 A10 E11 H12 L39 | N4-K8 PolarHBondContact O-N 3.08Å; V5-K8 PolarHBondContact O-N 3.48Å; P6-K8 VanDerWaalsContact C-N 3.33Å; P6-K8 PolarHBondContact O-N 3.07Å; K8-A10 VanDerWaalsContact C-N 3.32Å; K8-A10 PolarHBondContact O-N 3.44Å; K8-E11 WeakPolarHBondContact CD-OE2 3.38Å; K8-E11 WeakPolarHBondContact CE-OE2 3.44Å; K8-E11 IonicContact NZ-OE1 3.74Å; K8-E11 PolarHBondContact NZ-OE1 2.86Å; K8-E11 IonicContact NZ-OE2 3.33Å; K8-E11 PolarHBondContact NZ-OE2 3.18Å; K8-E11 PolarHBondContact O-N 3.48Å; K8-H12 PolarHBondContact O-CD2 2.86Å; K8-H12 VanDerWaalsContact O-CD2 3.29Å; K8-H12 PolarHBondContact O-N 2.81Å; K8-L39 HydrophobicContact CB-CB 3.83Å; K8-L39 HydrophobicContact CB-CD1 4.37Å; K8-L39 HydrophobicContact CB-CD2 4.4Å; K8-L39 HydrophobicContact CB-CG 4.45Å; K8-L39 HydrophobicContact CD-CB 4.37Å; K8-L39 WeakPolarHBondContact CD-O 3.38Å; K8-L39 HydrophobicContact CG-CB 3.77Å; K8-L39 HydrophobicContact CG-CD1 4.13Å |
| 9 | F | 98.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 172.6 | -90.3 | -126 | 0 | 0 | 0 | 111.8 | V5 P6 G13 V14 V15 V19 A22 P23 L39 V121 L123 L169 | V5-F9 HydrophobicContact CG1-CD2 3.83Å; V5-F9 HydrophobicContact CG1-CE2 3.76Å; V5-F9 WeakPolarHBondContact O-CD2 3.12Å; V5-F9 PolarHBondContact O-N 3.31Å; P6-F9 PolarHBondContact O-N 3.18Å; F9-G13 PolarHBondContact O-N 3.47Å; F9-V14 HydrophobicContact CB-CB 4.21Å; F9-V14 HydrophobicContact CD1-CB 3.82Å; F9-V14 HydrophobicContact CD1-CG1 3.4Å; F9-V14 HydrophobicContact CE1-CB 4.41Å; F9-V14 HydrophobicContact CE1-CG1 3.61Å; F9-V14 HydrophobicContact CG-CB 4.1Å; F9-V14 HydrophobicContact CG-CG1 4.17Å; F9-V14 WeakPolarHBondContact O-CA 3.33Å; F9-V14 WeakPolarHBondContact O-CB 3.47Å; F9-V14 PolarHBondContact O-N 2.71Å; F9-V15 HydrophobicContact CB-CG2 4.3Å; F9-V15 PolarHBondContact O-N 3.06Å; F9-V19 HydrophobicContact CD1-CG2 4.22Å; F9-V19 HydrophobicContact CE1-CG2 4.48Å; F9-A22 HydrophobicContact CB-CB 3.59Å; F9-A22 HydrophobicContact CD1-CB 3.96Å; F9-A22 HydrophobicContact CG-CB 3.93Å; F9-P23 HydrophobicContact CE1-CG 4.05Å; F9-P23 HydrophobicContact CZ-CG 4.02Å; F9-L39 HydrophobicContact CE2-CD2 4.47Å; F9-V121 HydrophobicContact CE1-CG1 4.03Å; F9-V121 HydrophobicContact CZ-CG1 4.08Å; F9-L123 HydrophobicContact CE1-CD2 3.81Å; F9-L123 HydrophobicContact CZ-CD2 4.34Å; F9-L169 HydrophobicContact CD2-CD2 4.01Å; F9-L169 HydrophobicContact CE2-CD2 3.95Å |
| 10 | A | 98.3 | Very high | 91.7 | Very high | 60 Ų | 60 | 59.3 Ų | 59.3 | 50% | 0.496 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.6 | -46.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P6 G7 K8 H12 G13 | P6-A10 PolarHBondContact O-N 3.06Å; G7-A10 PolarHBondContact O-N 2.87Å; K8-A10 VanDerWaalsContact C-N 3.32Å; K8-A10 PolarHBondContact O-N 3.44Å; A10-H12 VanDerWaalsContact C-N 3.31Å; A10-H12 PolarHBondContact O-N 3.32Å; A10-G13 PolarHBondContact O-N 2.89Å |
| 11 | E | 98.1 | Very high | 92.1 | Very high | 126 Ų | 126 | 61.7 Ų | 61.7 | 59% | 0.589 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -55.5 | -43.8 | 179.4 | -177.6 | -175.5 | 146 | 0 | 0 | 112.2 | G7 K8 G13 | G7-E11 WeakPolarHBondContact O-CB 3.29Å; G7-E11 PolarHBondContact O-N 3.38Å; K8-E11 WeakPolarHBondContact CD-OE2 3.38Å; K8-E11 WeakPolarHBondContact CE-OE2 3.44Å; K8-E11 IonicContact NZ-OE1 3.74Å; K8-E11 PolarHBondContact NZ-OE1 2.86Å; K8-E11 IonicContact NZ-OE2 3.33Å; K8-E11 PolarHBondContact NZ-OE2 3.18Å; K8-E11 PolarHBondContact O-N 3.48Å; E11-G13 VanDerWaalsContact C-N 3.29Å; E11-G13 PolarHBondContact O-N 3.38Å |
| 12 | H | 98.6 | Very high | 94.8 | Very high | 24 Ų | 24 | 50.7 Ų | 50.7 | 11% | 0.111 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 1.1 | 178.6 | -71.2 | -80.5 | 0 | 0 | 0 | 113.6 | K8 A10 V14 L39 R76 R119 L169 Q171 | K8-H12 PolarHBondContact O-CD2 2.86Å; K8-H12 VanDerWaalsContact O-CD2 3.29Å; K8-H12 PolarHBondContact O-N 2.81Å; A10-H12 VanDerWaalsContact C-N 3.31Å; A10-H12 PolarHBondContact O-N 3.32Å; H12-V14 VanDerWaalsContact C-N 3.27Å; H12-V14 HydrophobicContact CB-CG2 4.36Å; H12-V14 PolarHBondContact O-N 3.28Å; H12-L39 PolarHBondContact NE2-O 3.2Å; H12-R76 PolarHBondContact O-NH2 3.18Å; H12-R119 WeakPolarHBondContact O-CD 3.41Å; H12-R119 PolarHBondContact O-NH1 3.36Å; H12-L169 HydrophobicContact CB-CD1 3.62Å; H12-Q171 PolarHBondContact CE1-NE2 2.78Å |
| 13 | G | 98.4 | Very high | 96.8 | Very high | 14 Ų | 14 | 44.8 Ų | 44.8 | 14% | 0.144 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 18.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F9 A10 E11 V15 D17 R119 | F9-G13 PolarHBondContact O-N 3.47Å; A10-G13 PolarHBondContact O-N 2.89Å; E11-G13 VanDerWaalsContact C-N 3.29Å; E11-G13 PolarHBondContact O-N 3.38Å; G13-V15 CarbonylContact C-O 3.51Å; G13-V15 VanDerWaalsContact C-O 3.32Å; G13-V15 WeakPolarHBondContact CA-O 3.39Å; G13-V15 CarbonylContact O-C 2.96Å; G13-D17 WeakPolarHBondContact O-CB 3.39Å; G13-D17 PolarHBondContact O-N 3.18Å; G13-R119 PolarHBondContact O-NH1 3.02Å |
| 14 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 172.3 | -179.2 | 0 | 0 | 0 | 0 | 109.8 | F9 H12 P16 D17 V18 V19 V121 L169 | F9-V14 HydrophobicContact CB-CB 4.21Å; F9-V14 HydrophobicContact CD1-CB 3.82Å; F9-V14 HydrophobicContact CD1-CG1 3.4Å; F9-V14 HydrophobicContact CE1-CB 4.41Å; F9-V14 HydrophobicContact CE1-CG1 3.61Å; F9-V14 HydrophobicContact CG-CB 4.1Å; F9-V14 HydrophobicContact CG-CG1 4.17Å; F9-V14 WeakPolarHBondContact O-CA 3.33Å; F9-V14 WeakPolarHBondContact O-CB 3.47Å; F9-V14 PolarHBondContact O-N 2.71Å; H12-V14 VanDerWaalsContact C-N 3.27Å; H12-V14 HydrophobicContact CB-CG2 4.36Å; H12-V14 PolarHBondContact O-N 3.28Å; V14-P16 CarbonylContact O-C 3.54Å; V14-D17 PolarHBondContact O-N 3.49Å; V14-D17 VanDerWaalsContact O-N 3.16Å; V14-V18 HydrophobicContact CG1-CB 3.95Å; V14-V18 HydrophobicContact CG1-CG2 4.04Å; V14-V18 PolarHBondContact O-N 3.5Å; V14-V19 HydrophobicContact CG1-CG2 4.32Å; V14-V19 PolarHBondContact O-N 3.39Å; V14-V121 HydrophobicContact CG1-CB 4.49Å; V14-V121 HydrophobicContact CG1-CG1 3.67Å; V14-V121 HydrophobicContact CG1-CG2 4.01Å; V14-V121 HydrophobicContact CG2-CG2 3.85Å; V14-L169 HydrophobicContact CG2-CD1 3.93Å |
| 15 | V | 98.5 | Very high | 98.2 | Very high | 39 Ų | 39 | 47.8 Ų | 47.8 | 24% | 0.236 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -91 | 122.8 | 155.5 | 178.5 | 0 | 0 | 0 | 0 | 107.2 | F9 G13 V19 A22 | F9-V15 HydrophobicContact CB-CG2 4.3Å; F9-V15 PolarHBondContact O-N 3.06Å; G13-V15 CarbonylContact C-O 3.51Å; G13-V15 VanDerWaalsContact C-O 3.32Å; G13-V15 WeakPolarHBondContact CA-O 3.39Å; G13-V15 CarbonylContact O-C 2.96Å; V15-V19 WeakPolarHBondContact CA-O 3.44Å; V15-V19 HydrophobicContact CG2-CG2 4.02Å; V15-A22 HydrophobicContact CG2-CB 3.86Å |
| 16 | P | 98.3 | Very high | 98.2 | Very high | 105 Ų | 105 | 50.4 Ų | 50.4 | 68% | 0.682 | 29% | 0.29 | S | S | * | . | H | α-helix | cis | -97.8 | 1.5 | 5.3 | 38.6 | -35.1 | 0 | 0 | 0 | 114.7 | V14 V18 | V14-P16 CarbonylContact O-C 3.54Å; P16-V18 VanDerWaalsContact C-N 3.27Å; P16-V18 PolarHBondContact O-N 2.87Å |
| 17 | D | 98.4 | Very high | 98.2 | Very high | 56 Ų | 56 | 48.9 Ų | 48.9 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.6 | -30.2 | -166.1 | -73.2 | -14.6 | 0 | 0 | 0 | 114.7 | G13 V14 R82 R119 | G13-D17 WeakPolarHBondContact O-CB 3.39Å; G13-D17 PolarHBondContact O-N 3.18Å; V14-D17 PolarHBondContact O-N 3.49Å; V14-D17 VanDerWaalsContact O-N 3.16Å; D17-R82 IonicContact OD1-NH1 3.97Å; D17-R82 IonicContact OD2-NH1 3.39Å; D17-R82 IonicContact OD2-NH2 3.82Å; D17-R119 IonicContact OD2-CZ 3.79Å; D17-R119 VanDerWaalsContact OD2-CZ 3.31Å; D17-R119 IonicContact OD2-NH1 2.88Å; D17-R119 PolarHBondContact OD2-NH1 3.36Å; D17-R119 IonicContact OD2-NH2 2.73Å; D17-R119 PolarHBondContact OD2-NH2 3Å |
| 18 | V | 98.7 | Very high | 98.2 | Very high | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.03 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -47 | -174.7 | -171.5 | 0 | 0 | 0 | 0 | 111.4 | V14 P16 T69 P71 V121 L123 A152 | V14-V18 HydrophobicContact CG1-CB 3.95Å; V14-V18 HydrophobicContact CG1-CG2 4.04Å; V14-V18 PolarHBondContact O-N 3.5Å; P16-V18 VanDerWaalsContact C-N 3.27Å; P16-V18 PolarHBondContact O-N 2.87Å; V18-T69 HydrophobicContact CG1-CG2 3.85Å; V18-P71 HydrophobicContact CG2-CB 3.71Å; V18-P71 HydrophobicContact CG2-CG 3.68Å; V18-V121 HydrophobicContact CG2-CG2 4.38Å; V18-L123 HydrophobicContact CG1-CD1 3.94Å; V18-A152 HydrophobicContact CG1-CB 4.35Å |
| 19 | V | 98.5 | Very high | 98.2 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | trans | -131.1 | 146.4 | -178.5 | -65.9 | 0 | 0 | 0 | 0 | 110.9 | F9 V14 V15 K21 L123 P164 | F9-V19 HydrophobicContact CD1-CG2 4.22Å; F9-V19 HydrophobicContact CE1-CG2 4.48Å; V14-V19 HydrophobicContact CG1-CG2 4.32Å; V14-V19 PolarHBondContact O-N 3.39Å; V15-V19 WeakPolarHBondContact CA-O 3.44Å; V15-V19 HydrophobicContact CG2-CG2 4.02Å; V19-K21 WeakPolarHBondContact CG2-O 3.49Å; V19-L123 HydrophobicContact CG1-CD1 3.77Å; V19-L123 HydrophobicContact CG1-CD2 3.91Å; V19-P164 HydrophobicContact CG1-CG 4.39Å | ||
| 20 | A | 98.1 | Very high | 98.2 | Very high | 95 Ų | 95 | 52.4 Ų | 52.4 | 79% | 0.785 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -75.1 | -30.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 21 | K | 98.3 | Very high | 98.2 | Very high | 111 Ų | 111 | 49.7 Ų | 49.7 | 48% | 0.483 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -132 | 130.3 | 178.6 | -171 | -174.7 | 176.3 | -174.5 | 0 | 109.5 | V19 D163 | V19-K21 WeakPolarHBondContact CG2-O 3.49Å; K21-D163 HydrophobicContact CD-CB 4.31Å; K21-D163 VanDerWaalsContact CD-OD2 3.29Å; K21-D163 WeakPolarHBondContact CD-OD2 3.43Å; K21-D163 IonicContact NZ-OD2 3.65Å |
| 22 | A | 98.3 | Very high | 98.2 | Very high | 10 Ų | 10 | 48.1 Ų | 48.1 | 8% | 0.083 | 28% | 0.275 | C | S | . | . | trans | -74.2 | 152.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P6 F9 V15 | P6-A22 HydrophobicContact CB-CB 4.02Å; F9-A22 HydrophobicContact CB-CB 3.59Å; F9-A22 HydrophobicContact CD1-CB 3.96Å; F9-A22 HydrophobicContact CG-CB 3.93Å; V15-A22 HydrophobicContact CG2-CB 3.86Å | ||
| 23 | P | 98 | Very high | 98.2 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | trans | -71.4 | 151.9 | 169.3 | 27.8 | -29 | 0 | 0 | 0 | 111.2 | V5 P6 F9 P164 A166 G167 | V5-P23 HydrophobicContact CG1-CG 4.04Å; V5-P23 WeakPolarHBondContact CG1-O 3.43Å; P6-P23 WeakPolarHBondContact CD-O 3.29Å; P6-P23 WeakPolarHBondContact CG-O 3.46Å; F9-P23 HydrophobicContact CE1-CG 4.05Å; F9-P23 HydrophobicContact CZ-CG 4.02Å; P23-P164 WeakPolarHBondContact CA-O 3.45Å; P23-P164 HydrophobicContact CB-CB 4.13Å; P23-P164 HydrophobicContact CB-CG 4.22Å; P23-P164 WeakPolarHBondContact CB-O 3.31Å; P23-P164 HydrophobicContact CG-CB 4.32Å; P23-P164 HydrophobicContact CG-CG 4.28Å; P23-A166 VanDerWaalsContact CB-C 3.43Å; P23-A166 VanDerWaalsContact CG-C 3.48Å; P23-G167 VanDerWaalsContact CG-N 3.33Å | ||
| 24 | E | 96.3 | Very high | 98.2 | Very high | 134 Ų | 134 | 52 Ų | 52 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -83.8 | -28.7 | 176.2 | -62 | -63.2 | 158.7 | 0 | 0 | 112.3 | P6 | P6-E24 WeakPolarHBondContact CG-OE2 3.42Š|
| 25 | Q | 97.1 | Very high | 98.2 | Very high | 88 Ų | 88 | 53.3 Ų | 53.3 | 41% | 0.411 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 153.1 | -173.8 | -59.3 | -177.7 | -14.3 | 0 | 0 | 112.5 | V165 A166 G167 | Q25-V165 WeakPolarHBondContact CB-O 3.3Å; Q25-V165 PolarHBondContact N-O 2.83Å; Q25-A166 HydrophobicContact CB-CB 4.04Å; Q25-A166 CarbonylContact O-C 3.55Å; Q25-A166 WeakPolarHBondContact O-CA 3.48Å; Q25-G167 PolarHBondContact O-N 3.13Å |
| 26 | L | 98 | Very high | 98.2 | Very high | 56 Ų | 56 | 53 Ų | 53 | 29% | 0.293 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 132 | 175.4 | -174.5 | 69.5 | 0 | 0 | 0 | 110.4 | V5 L39 G167 N168 | V5-L26 HydrophobicContact CG2-CB 4.1Å; V5-L26 HydrophobicContact CG2-CD1 4.19Å; L26-L39 HydrophobicContact CD1-CD1 4.22Å; L26-L39 HydrophobicContact CD1-CD2 3.77Å; L26-L39 HydrophobicContact CD1-CG 3.9Å; L26-G167 WeakPolarHBondContact CA-O 3.3Å; L26-N168 HydrophobicContact CD1-CB 4.14Å |
| 27 | C | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -91.7 | 101.7 | 158.3 | 178.1 | 0 | 0 | 0 | 0 | 108 | H55 V124 A166 G167 N168 | C27-H55 CarbonylContact C-O 2.78Å; C27-H55 WeakPolarHBondContact CA-O 3.45Å; C27-V124 HydrophobicContact CB-CG2 4Å; C27-A166 HydrophobicContact CB-CB 4.2Å; C27-G167 PolarHBondContact N-O 2.95Å; C27-N168 HydrophobicContact CB-CB 4.43Å; C27-N168 WeakPolarHBondContact O-CB 3.42Å; C27-N168 PolarHBondContact O-ND2 2.89Å | ||
| 28 | S | 98.3 | Very high | 98.2 | Very high | 49 Ų | 49 | 50.8 Ų | 50.8 | 34% | 0.343 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 144.2 | 174.9 | 65.5 | 0 | 0 | 0 | 0 | 109.8 | V54 H55 | S28-V54 WeakPolarHBondContact O-CA 3.34Å; S28-H55 PolarHBondContact N-O 2.88Å; S28-H55 PolarHBondContact O-N 2.81Å; S28-H55 WeakPolarHBondContact OG-CB 3.18Å; S28-H55 PolarHBondContact OG-O 2.93Å |
| 29 | A | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 2% | 0.017 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 107 | 177.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | S36 A37 P52 E53 V54 F122 | A29-S36 CarbonylContact O-C 3.56Å; A29-S36 VanDerWaalsContact O-CA 3.23Å; A29-S36 WeakPolarHBondContact O-CA 3.38Å; A29-A37 HydrophobicContact CB-CB 4.11Å; A29-A37 PolarHBondContact O-N 3.43Å; A29-P52 HydrophobicContact CB-CB 4.09Å; A29-P52 HydrophobicContact CB-CG 4.17Å; A29-E53 WeakPolarHBondContact CA-O 3.45Å; A29-V54 HydrophobicContact CB-CG1 4Å; A29-F122 HydrophobicContact CB-CD1 4.34Å; A29-F122 HydrophobicContact CB-CE1 3.9Å; A29-F122 HydrophobicContact CB-CE2 4.27Å; A29-F122 HydrophobicContact CB-CZ 3.87Å |
| 30 | K | 98.7 | Very high | 98.2 | Very high | 119 Ų | 119 | 51.2 Ų | 51.2 | 52% | 0.517 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 122.9 | -178.5 | -176.3 | 177.6 | 178.4 | -176 | 0 | 109.9 | P52 E53 | K30-P52 CarbonylContact O-C 3.59Å; K30-P52 VanDerWaalsContact O-CA 3.29Å; K30-P52 WeakPolarHBondContact O-CA 3.4Å; K30-P52 WeakPolarHBondContact O-CB 3.47Å; K30-E53 PolarHBondContact N-O 3.4Å; K30-E53 PolarHBondContact O-N 3.34Å |
| 31 | F | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 1% | 0.013 | 28% | 0.277 | C | S | . | . | trans | -87.8 | 150.9 | -179.8 | -63.7 | -88.4 | 0 | 0 | 0 | 111.1 | S33 G34 V35 L43 V48 D50 P52 F122 Y170 | F31-S33 PolarHBondContact O-N 2.86Å; F31-S33 VanDerWaalsContact O-N 3.13Å; F31-G34 PolarHBondContact O-N 2.87Å; F31-V35 HydrophobicContact CB-CG2 4.06Å; F31-V35 HydrophobicContact CD2-CG2 3.94Å; F31-V35 HydrophobicContact CG-CG2 4.29Å; F31-V35 PolarHBondContact N-O 3.31Å; F31-L43 HydrophobicContact CD2-CD1 4.23Å; F31-L43 HydrophobicContact CE2-CD1 3.87Å; F31-V48 HydrophobicContact CD1-CB 3.89Å; F31-V48 HydrophobicContact CD1-CG1 3.92Å; F31-V48 HydrophobicContact CD2-CG1 3.94Å; F31-V48 HydrophobicContact CE1-CB 3.51Å; F31-V48 HydrophobicContact CE1-CG1 3.66Å; F31-V48 HydrophobicContact CE2-CB 4.45Å; F31-V48 HydrophobicContact CE2-CG1 3.69Å; F31-V48 HydrophobicContact CG-CB 4.49Å; F31-V48 HydrophobicContact CG-CG1 4.04Å; F31-V48 HydrophobicContact CZ-CB 3.83Å; F31-V48 HydrophobicContact CZ-CG1 3.54Å; F31-D50 WeakPolarHBondContact CD1-O 3.43Å; F31-P52 HydrophobicContact CD1-CB 3.77Å; F31-P52 HydrophobicContact CD1-CG 4.24Å; F31-P52 HydrophobicContact CD2-CB 4.31Å; F31-P52 HydrophobicContact CE1-CB 3.71Å; F31-P52 HydrophobicContact CE1-CG 3.69Å; F31-P52 HydrophobicContact CE2-CB 4.26Å; F31-P52 HydrophobicContact CG-CB 4.09Å; F31-P52 HydrophobicContact CZ-CB 3.97Å; F31-P52 HydrophobicContact CZ-CG 3.9Å; F31-F122 HydrophobicContact CZ-CZ 4.33Å; F31-Y170 HydrophobicContact CE2-CD1 4.49Å; F31-Y170 HydrophobicContact CE2-CE1 4.37Å; F31-Y170 HydrophobicContact CZ-CD1 4.38Å; F31-Y170 AromaticContact CZ-CE1 3.83Å; F31-Y170 HydrophobicContact CZ-CE1 3.83Å | ||
| 32 | S | 98.2 | Very high | 98.3 | Very high | 93 Ų | 93 | 47.9 Ų | 47.9 | 65% | 0.65 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24 | 176.6 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | G34 | S32-G34 PolarHBondContact O-N 3.36Š|
| 33 | S | 98.2 | Very high | 98.3 | Very high | 60 Ų | 60 | 47.8 Ų | 47.8 | 42% | 0.42 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -6.5 | 174.1 | 62.5 | 0 | 0 | 0 | 0 | 114.4 | F31 Q47 | F31-S33 PolarHBondContact O-N 2.86Å; F31-S33 VanDerWaalsContact O-N 3.13Å; S33-Q47 WeakPolarHBondContact CB-O 3.44Å; S33-Q47 PolarHBondContact OG-O 2.76Å |
| 34 | G | 98.3 | Very high | 98.3 | Very high | 59 Ų | 59 | 53.8 Ų | 53.8 | 61% | 0.608 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 93.5 | -1.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | F31 S32 | F31-G34 PolarHBondContact O-N 2.87Å; S32-G34 PolarHBondContact O-N 3.36Å |
| 35 | V | 98.6 | Very high | 98.4 | Very high | 28 Ų | 28 | 47.5 Ų | 47.5 | 17% | 0.17 | 27% | 0.273 | C | S | . | . | trans | -91.9 | 160.7 | 174 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | F31 L43 Q47 | F31-V35 HydrophobicContact CB-CG2 4.06Å; F31-V35 HydrophobicContact CD2-CG2 3.94Å; F31-V35 HydrophobicContact CG-CG2 4.29Å; F31-V35 PolarHBondContact N-O 3.31Å; V35-L43 HydrophobicContact CB-CD2 3.89Å; V35-L43 HydrophobicContact CG1-CD2 4.42Å; V35-L43 HydrophobicContact CG2-CD1 3.99Å; V35-L43 HydrophobicContact CG2-CD2 3.91Å; V35-L43 HydrophobicContact CG2-CG 4.48Å; V35-Q47 HydrophobicContact CG1-CG 4.45Å; V35-Q47 HydrophobicContact CG2-CB 3.89Å | ||
| 36 | S | 98.7 | Very high | 98.5 | Very high | 34 Ų | 34 | 46.1 Ų | 46.1 | 24% | 0.238 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -128.3 | 152.8 | 174.4 | -63 | 0 | 0 | 0 | 0 | 110.9 | A29 E38 N41 | A29-S36 CarbonylContact O-C 3.56Å; A29-S36 VanDerWaalsContact O-CA 3.23Å; A29-S36 WeakPolarHBondContact O-CA 3.38Å; S36-E38 WeakPolarHBondContact CB-OE1 3.4Å; S36-N41 PolarHBondContact O-ND2 3.29Å |
| 37 | A | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | trans | -74.6 | 123.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | A29 F122 N168 Y170 | A29-A37 HydrophobicContact CB-CB 4.11Å; A29-A37 PolarHBondContact O-N 3.43Å; A37-F122 HydrophobicContact CB-CE2 4.36Å; A37-N168 PolarHBondContact O-ND2 3.31Å; A37-N168 PolarHBondContact O-OD1 2.66Å; A37-Y170 HydrophobicContact CB-CD1 3.96Å | ||
| 38 | E | 98.2 | Very high | 98.6 | Very high | 113 Ų | 113 | 46.4 Ų | 46.4 | 53% | 0.528 | 27% | 0.271 | S | S | . | . | trans | -127.5 | 60.4 | -173.9 | -62 | -62.8 | 155.9 | 0 | 0 | 109.7 | S36 G40 N41 | S36-E38 WeakPolarHBondContact CB-OE1 3.4Å; E38-G40 VanDerWaalsContact C-N 3.31Å; E38-G40 PolarHBondContact O-N 2.99Å; E38-N41 HydrophobicContact CB-CB 4.2Å; E38-N41 PolarHBondContact N-OD1 2.95Å | ||
| 39 | L | 98.4 | Very high | 98.6 | Very high | 14 Ų | 14 | 48.5 Ų | 48.5 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | S | Bend | trans | 51.2 | 43.8 | 173.6 | -62.4 | 171.6 | 0 | 0 | 0 | 114.7 | V5 K8 F9 H12 L26 N168 L169 | V5-L39 HydrophobicContact CB-CD2 4.4Å; V5-L39 HydrophobicContact CG1-CD2 4.11Å; V5-L39 HydrophobicContact CG2-CD1 4.14Å; V5-L39 HydrophobicContact CG2-CD2 4.08Å; K8-L39 HydrophobicContact CB-CB 3.83Å; K8-L39 HydrophobicContact CB-CD1 4.37Å; K8-L39 HydrophobicContact CB-CD2 4.4Å; K8-L39 HydrophobicContact CB-CG 4.45Å; K8-L39 HydrophobicContact CD-CB 4.37Å; K8-L39 WeakPolarHBondContact CD-O 3.38Å; K8-L39 HydrophobicContact CG-CB 3.77Å; K8-L39 HydrophobicContact CG-CD1 4.13Å; F9-L39 HydrophobicContact CE2-CD2 4.47Å; H12-L39 PolarHBondContact NE2-O 3.2Å; L26-L39 HydrophobicContact CD1-CD1 4.22Å; L26-L39 HydrophobicContact CD1-CD2 3.77Å; L26-L39 HydrophobicContact CD1-CG 3.9Å; L39-N168 PolarHBondContact N-OD1 2.85Å; L39-L169 CarbonylContact C-O 3.52Å; L39-L169 WeakPolarHBondContact CA-O 3.29Å; L39-L169 HydrophobicContact CB-CD2 4.49Å; L39-L169 HydrophobicContact CD2-CD2 4.37Å; L39-L169 PolarHBondContact N-O 3.11Å |
| 40 | G | 98.5 | Very high | 98.6 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 6% | 0.062 | 29% | 0.291 | C | S | . | . | S | Bend | trans | 115.8 | 5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | E38 L169 Q171 | E38-G40 VanDerWaalsContact C-N 3.31Å; E38-G40 PolarHBondContact O-N 2.99Å; G40-L169 PolarHBondContact N-O 3.06Å; G40-Q171 PolarHBondContact O-NE2 3.17Å |
| 41 | N | 98.5 | Very high | 98.6 | Very high | 50 Ų | 50 | 49.3 Ų | 49.3 | 27% | 0.267 | 29% | 0.287 | S | S | . | . | trans | -55.2 | 154.5 | 167.9 | 68.1 | -33.4 | 0 | 0 | 0 | 112 | S36 E38 Y170 Q171 | S36-N41 PolarHBondContact O-ND2 3.29Å; E38-N41 HydrophobicContact CB-CB 4.2Å; E38-N41 PolarHBondContact N-OD1 2.95Å; N41-Y170 WeakPolarHBondContact O-CA 3.33Å; N41-Q171 PolarHBondContact O-N 3.23Å | ||
| 42 | V | 98.9 | Very high | 98.6 | Very high | 85 Ų | 85 | 49.5 Ų | 49.5 | 52% | 0.515 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 122.7 | -180 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | L117 Q171 | V42-L117 HydrophobicContact CG1-CD2 3.72Å; V42-L117 HydrophobicContact CG2-CD1 4.07Å; V42-L117 HydrophobicContact CG2-CD2 4.08Å; V42-Q171 CarbonylContact C-O 3.58Å; V42-Q171 WeakPolarHBondContact CA-O 3.45Å; V42-Q171 HydrophobicContact CG2-CB 4.4Å |
| 43 | L | 98.8 | Very high | 98.6 | Very high | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 161.4 | 174.4 | -57 | -177 | 0 | 0 | 0 | 110.1 | F31 V35 V48 Y170 Q171 A172 | F31-L43 HydrophobicContact CD2-CD1 4.23Å; F31-L43 HydrophobicContact CE2-CD1 3.87Å; V35-L43 HydrophobicContact CB-CD2 3.89Å; V35-L43 HydrophobicContact CG1-CD2 4.42Å; V35-L43 HydrophobicContact CG2-CD1 3.99Å; V35-L43 HydrophobicContact CG2-CD2 3.91Å; V35-L43 HydrophobicContact CG2-CG 4.48Å; L43-V48 HydrophobicContact CB-CG1 3.96Å; L43-V48 HydrophobicContact CD1-CG1 3.74Å; L43-Y170 HydrophobicContact CB-CD2 3.96Å; L43-Y170 HydrophobicContact CB-CG 4.5Å; L43-Y170 HydrophobicContact CD1-CD1 4.22Å; L43-Y170 HydrophobicContact CD1-CD2 4.01Å; L43-Y170 HydrophobicContact CD1-CG 3.77Å; L43-Y170 HydrophobicContact CG-CD2 4.18Å; L43-Y170 HydrophobicContact CG-CG 4.22Å; L43-Q171 PolarHBondContact N-O 2.86Å; L43-A172 WeakPolarHBondContact O-CA 3.28Å; L43-A172 VanDerWaalsContact O-CB 3.3Å; L43-A172 WeakPolarHBondContact O-CB 3.4Å |
| 44 | K | 98.8 | Very high | 98.6 | Very high | 128 Ų | 128 | 50 Ų | 50 | 56% | 0.557 | 28% | 0.275 | S | S | * | . | trans | -95.8 | 143 | 176.4 | -63.9 | -177 | 178.9 | -177.6 | 0 | 111.3 | T46 Q47 V48 | K44-T46 PolarHBondContact O-N 2.75Å; K44-T46 VanDerWaalsContact O-N 3.17Å; K44-Q47 HydrophobicContact CB-CB 4.49Å; K44-Q47 HydrophobicContact CB-CG 4.1Å; K44-Q47 WeakPolarHBondContact O-CA 3.46Å; K44-Q47 WeakPolarHBondContact O-CB 3.43Å; K44-Q47 PolarHBondContact O-N 2.94Å; K44-V48 PolarHBondContact O-N 3.39Å | ||
| 45 | P | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -47.2 | -42.5 | 170.5 | -28.6 | 34.1 | 0 | 0 | 0 | 113.7 | Q47 V48 K49 A109 P111 Q173 D175 Y177 V178 | P45-Q47 PolarHBondContact O-N 2.74Å; P45-V48 CarbonylContact O-C 3.52Å; P45-V48 PolarHBondContact O-N 3.3Å; P45-V48 VanDerWaalsContact O-N 3.11Å; P45-K49 PolarHBondContact O-N 3.44Å; P45-A109 HydrophobicContact CB-CB 4.43Å; P45-A109 WeakPolarHBondContact CB-O 3.45Å; P45-A109 HydrophobicContact CG-CB 4.46Å; P45-P111 HydrophobicContact CG-CG 4.2Å; P45-Q173 WeakPolarHBondContact CD-O 3.28Å; P45-Q173 VanDerWaalsContact CG-O 3.26Å; P45-Q173 WeakPolarHBondContact CG-O 3.39Å; P45-D175 VanDerWaalsContact CB-OD1 3.32Å; P45-D175 WeakPolarHBondContact CB-OD1 3.33Å; P45-D175 WeakPolarHBondContact CD-OD2 3.26Å; P45-D175 HydrophobicContact CG-CB 4.44Å; P45-Y177 HydrophobicContact CB-CD1 4.05Å; P45-V178 HydrophobicContact CB-CG2 3.88Å; P45-V178 HydrophobicContact CG-CG2 3.76Å |
| 46 | T | 98.7 | Very high | 98.5 | Very high | 60 Ų | 60 | 50.2 Ų | 50.2 | 37% | 0.368 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -57.3 | -34.9 | 175.5 | -58.7 | 0 | 0 | 0 | 0 | 113.4 | K44 D175 Y177 | K44-T46 PolarHBondContact O-N 2.75Å; K44-T46 VanDerWaalsContact O-N 3.17Å; T46-D175 VanDerWaalsContact CB-OD2 3.28Å; T46-D175 WeakPolarHBondContact CB-OD2 3.32Å; T46-D175 PolarHBondContact N-OD2 3.04Å; T46-D175 PolarHBondContact OG1-OD2 2.66Å; T46-Y177 VanDerWaalsContact OG1-CB 3.27Å; T46-Y177 WeakPolarHBondContact OG1-CB 3.36Å |
| 47 | Q | 98.8 | Very high | 98.4 | Very high | 62 Ų | 62 | 55.1 Ų | 55.1 | 29% | 0.29 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -77.7 | -26.8 | -179.9 | -67 | 170.6 | -43.2 | 0 | 0 | 112.6 | S33 V35 K44 P45 | S33-Q47 WeakPolarHBondContact CB-O 3.44Å; S33-Q47 PolarHBondContact OG-O 2.76Å; V35-Q47 HydrophobicContact CG1-CG 4.45Å; V35-Q47 HydrophobicContact CG2-CB 3.89Å; K44-Q47 HydrophobicContact CB-CB 4.49Å; K44-Q47 HydrophobicContact CB-CG 4.1Å; K44-Q47 WeakPolarHBondContact O-CA 3.46Å; K44-Q47 WeakPolarHBondContact O-CB 3.43Å; K44-Q47 PolarHBondContact O-N 2.94Å; P45-Q47 PolarHBondContact O-N 2.74Å |
| 48 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -111.7 | 18.6 | -174.4 | -55.5 | 0 | 0 | 0 | 0 | 112.7 | F31 L43 K44 P45 D50 Y106 A109 Y170 | F31-V48 HydrophobicContact CD1-CB 3.89Å; F31-V48 HydrophobicContact CD1-CG1 3.92Å; F31-V48 HydrophobicContact CD2-CG1 3.94Å; F31-V48 HydrophobicContact CE1-CB 3.51Å; F31-V48 HydrophobicContact CE1-CG1 3.66Å; F31-V48 HydrophobicContact CE2-CB 4.45Å; F31-V48 HydrophobicContact CE2-CG1 3.69Å; F31-V48 HydrophobicContact CG-CB 4.49Å; F31-V48 HydrophobicContact CG-CG1 4.04Å; F31-V48 HydrophobicContact CZ-CB 3.83Å; F31-V48 HydrophobicContact CZ-CG1 3.54Å; L43-V48 HydrophobicContact CB-CG1 3.96Å; L43-V48 HydrophobicContact CD1-CG1 3.74Å; K44-V48 PolarHBondContact O-N 3.39Å; P45-V48 CarbonylContact O-C 3.52Å; P45-V48 PolarHBondContact O-N 3.3Å; P45-V48 VanDerWaalsContact O-N 3.11Å; V48-D50 VanDerWaalsContact C-N 3.26Å; V48-D50 PolarHBondContact O-N 3.05Å; V48-Y106 PolarHBondContact O-OH 3.46Å; V48-A109 HydrophobicContact CG2-CB 3.57Å; V48-Y170 HydrophobicContact CG1-CE2 4.19Å; V48-Y170 HydrophobicContact CG2-CE2 4.08Å |
| 49 | K | 98.5 | Very high | 97.8 | Very high | 93 Ų | 93 | 55.4 Ų | 55.4 | 40% | 0.404 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -63.4 | -31.5 | -179.2 | 70 | 179.8 | -172.3 | 175 | 0 | 113.2 | P45 Y177 | P45-K49 PolarHBondContact O-N 3.44Å; K49-Y177 HydrophobicContact CB-CD1 4.14Å; K49-Y177 HydrophobicContact CB-CE1 3.53Å; K49-Y177 HydrophobicContact CB-CE2 4.14Å; K49-Y177 HydrophobicContact CD-CE2 4.48Å |
| 50 | D | 98.4 | Very high | 97.3 | Very high | 70 Ų | 70 | 59.3 Ų | 59.3 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -102.5 | 151.1 | 179.8 | -59.7 | -49.3 | 0 | 0 | 0 | 109.8 | F31 V48 Y106 | F31-D50 WeakPolarHBondContact CD1-O 3.43Å; V48-D50 VanDerWaalsContact C-N 3.26Å; V48-D50 PolarHBondContact O-N 3.05Å; D50-Y106 VanDerWaalsContact C-CE1 3.42Å |
| 51 | P | 98.5 | Very high | 97.1 | Very high | 68 Ų | 68 | 63.5 Ų | 63.5 | 44% | 0.442 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 139.6 | 178.7 | 22.8 | -32 | 0 | 0 | 0 | 111.5 | W87 Y106 | P51-W87 HydrophobicContact CB-CH2 4.36Å; P51-Y106 HydrophobicContact CB-CD1 3.97Å; P51-Y106 HydrophobicContact CB-CD2 3.97Å; P51-Y106 HydrophobicContact CB-CE1 4.44Å; P51-Y106 HydrophobicContact CB-CE2 4.46Å; P51-Y106 HydrophobicContact CB-CG 3.7Å; P51-Y106 HydrophobicContact CG-CD1 4.38Å; P51-Y106 HydrophobicContact CG-CG 4.43Å |
| 52 | P | 98.7 | Very high | 97 | Very high | 7 Ų | 7 | 61.8 Ų | 61.8 | 5% | 0.045 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 154 | 175.2 | 28.7 | -29.4 | 0 | 0 | 0 | 111.6 | A29 K30 F31 V54 F122 | A29-P52 HydrophobicContact CB-CB 4.09Å; A29-P52 HydrophobicContact CB-CG 4.17Å; K30-P52 CarbonylContact O-C 3.59Å; K30-P52 VanDerWaalsContact O-CA 3.29Å; K30-P52 WeakPolarHBondContact O-CA 3.4Å; K30-P52 WeakPolarHBondContact O-CB 3.47Å; F31-P52 HydrophobicContact CD1-CB 3.77Å; F31-P52 HydrophobicContact CD1-CG 4.24Å; F31-P52 HydrophobicContact CD2-CB 4.31Å; F31-P52 HydrophobicContact CE1-CB 3.71Å; F31-P52 HydrophobicContact CE1-CG 3.69Å; F31-P52 HydrophobicContact CE2-CB 4.26Å; F31-P52 HydrophobicContact CG-CB 4.09Å; F31-P52 HydrophobicContact CZ-CB 3.97Å; F31-P52 HydrophobicContact CZ-CG 3.9Å; P52-V54 HydrophobicContact CB-CG1 4.28Å; P52-V54 HydrophobicContact CG-CG1 3.85Å; P52-V54 PolarHBondContact O-N 2.81Å; P52-F122 HydrophobicContact CG-CE1 3.84Å; P52-F122 HydrophobicContact CG-CZ 3.97Å |
| 53 | E | 98.6 | Very high | 97 | Very high | 152 Ų | 152 | 60 Ų | 60 | 71% | 0.71 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 121.9 | 157.2 | -174 | -179.8 | -173.7 | 0 | 0 | 107.9 | A29 K30 | A29-E53 WeakPolarHBondContact CA-O 3.45Å; K30-E53 PolarHBondContact N-O 3.4Å; K30-E53 PolarHBondContact O-N 3.34Å |
| 54 | V | 98.4 | Very high | 97 | Very high | 12 Ų | 12 | 59.9 Ų | 59.9 | 7% | 0.073 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 143.4 | -177.2 | -63.9 | 0 | 0 | 0 | 0 | 111.3 | S28 A29 P52 W56 L66 W87 V97 F122 | S28-V54 WeakPolarHBondContact O-CA 3.34Å; A29-V54 HydrophobicContact CB-CG1 4Å; P52-V54 HydrophobicContact CB-CG1 4.28Å; P52-V54 HydrophobicContact CG-CG1 3.85Å; P52-V54 PolarHBondContact O-N 2.81Å; V54-W56 HydrophobicContact CB-CZ3 4.29Å; V54-W56 HydrophobicContact CG2-CZ3 3.78Å; V54-L66 HydrophobicContact CG2-CD2 3.88Å; V54-W87 HydrophobicContact CG1-CZ3 4.31Å; V54-W87 HydrophobicContact CG2-CZ3 4.42Å; V54-V97 HydrophobicContact CG2-CB 4.45Å; V54-V97 HydrophobicContact CG2-CG2 3.44Å; V54-V97 VanDerWaalsContact CG2-CG2 3.44Å; V54-F122 HydrophobicContact CG1-CD1 4.34Å; V54-F122 HydrophobicContact CG1-CE1 4.1Å |
| 55 | H | 98 | Very high | 97 | Very high | 90 Ų | 90 | 53.8 Ų | 53.8 | 42% | 0.417 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 142 | 177.9 | 178.3 | -78.4 | 0 | 0 | 0 | 111.2 | C27 S28 N95 | C27-H55 CarbonylContact C-O 2.78Å; C27-H55 WeakPolarHBondContact CA-O 3.45Å; S28-H55 PolarHBondContact N-O 2.88Å; S28-H55 PolarHBondContact O-N 2.81Å; S28-H55 WeakPolarHBondContact OG-CB 3.18Å; S28-H55 PolarHBondContact OG-O 2.93Å; H55-N95 PolarHBondContact CD2-ND2 2.86Å; H55-N95 PolarHBondContact NE2-ND2 2.8Å |
| 56 | W | 97.6 | Very high | 97 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | trans | -144.4 | 159.4 | 171.4 | 57.4 | 92.2 | 0 | 0 | 0 | 109.2 | V54 S58 H64 L66 I92 N95 V97 V124 A166 | V54-W56 HydrophobicContact CB-CZ3 4.29Å; V54-W56 HydrophobicContact CG2-CZ3 3.78Å; W56-S58 PolarHBondContact O-N 3.15Å; W56-H64 HydrophobicContact CZ2-CB 3.9Å; W56-H64 AromaticContact NE1-CD2 3.65Å; W56-H64 AromaticContact NE1-CG 3.72Å; W56-L66 HydrophobicContact CH2-CB 4.41Å; W56-L66 HydrophobicContact CZ3-CD1 4.37Å; W56-I92 HydrophobicContact CH2-CD1 3.91Å; W56-I92 HydrophobicContact CH2-CG2 4.31Å; W56-I92 HydrophobicContact CZ2-CD1 4.31Å; W56-I92 HydrophobicContact CZ2-CG2 4.12Å; W56-N95 HydrophobicContact CD2-CB 4Å; W56-N95 HydrophobicContact CE3-CB 4.48Å; W56-N95 HydrophobicContact CG-CB 4.41Å; W56-N95 HydrophobicContact CZ2-CB 4.05Å; W56-N95 PolarHBondContact O-ND2 2.97Å; W56-V97 HydrophobicContact CH2-CG2 3.7Å; W56-V97 HydrophobicContact CZ3-CG2 3.98Å; W56-V124 HydrophobicContact CD2-CB 4.38Å; W56-V124 HydrophobicContact CD2-CG1 3.76Å; W56-V124 HydrophobicContact CD2-CG2 3.82Å; W56-V124 HydrophobicContact CE3-CG1 4.38Å; W56-V124 HydrophobicContact CE3-CG2 3.67Å; W56-V124 HydrophobicContact CG-CG1 3.97Å; W56-V124 HydrophobicContact CG-CG2 4.27Å; W56-V124 HydrophobicContact CH2-CG2 4.48Å; W56-V124 HydrophobicContact CZ2-CG1 3.93Å; W56-V124 HydrophobicContact CZ3-CG2 4.01Å; W56-A166 HydrophobicContact CB-CB 3.81Å; W56-A166 HydrophobicContact CG-CB 4.5Å | ||
| 57 | E | 95.3 | Very high | 97 | Very high | 136 Ų | 136 | 50.9 Ų | 50.9 | 64% | 0.636 | 28% | 0.276 | S | S | * | . | trans | -65.8 | 124.7 | 172.3 | -67.3 | -61.4 | 144.7 | 0 | 0 | 109.4 | ||||
| 58 | S | 94.4 | Very high | 97 | Very high | 38 Ų | 38 | 48 Ų | 48 | 27% | 0.266 | 26% | 0.263 | S | S | . | . | trans | -149.9 | 148.1 | -175.8 | 64.5 | 0 | 0 | 0 | 0 | 112.5 | W56 G94 N95 | W56-S58 PolarHBondContact O-N 3.15Å; S58-G94 WeakPolarHBondContact OG-CA 3.33Å; S58-N95 PolarHBondContact OG-N 3.22Å | ||
| 59 | D | 90.4 | Very high | 97.1 | Very high | 83 Ų | 83 | 48 Ų | 48 | 44% | 0.444 | 26% | 0.263 | S | S | . | . | trans | -77.6 | 126 | 164 | -179.5 | -17.1 | 0 | 0 | 0 | 108.7 | S61 S62 | D59-S61 PolarHBondContact O-N 3.31Å; D59-S61 WeakPolarHBondContact OD1-CB 3.45Å; D59-S61 PolarHBondContact OD1-N 2.77Å; D59-S61 PolarHBondContact OD1-OG 2.9Å; D59-S61 PolarHBondContact OD2-OG 3.06Å; D59-S61 VanDerWaalsContact OD2-OG 3.06Å; D59-S62 PolarHBondContact O-N 2.93Å | ||
| 60 | S | 89 | Confident | 97.1 | Very high | 95 Ų | 95 | 43.8 Ų | 43.8 | 66% | 0.664 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -19 | -178.1 | 63.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 61 | S | 93.6 | Very high | 97.1 | Very high | 94 Ų | 94 | 40.4 Ų | 40.4 | 66% | 0.657 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -15 | 175 | 70.7 | 0 | 0 | 0 | 0 | 113.7 | D59 | D59-S61 PolarHBondContact O-N 3.31Å; D59-S61 WeakPolarHBondContact OD1-CB 3.45Å; D59-S61 PolarHBondContact OD1-N 2.77Å; D59-S61 PolarHBondContact OD1-OG 2.9Å; D59-S61 PolarHBondContact OD2-OG 3.06Å; D59-S61 VanDerWaalsContact OD2-OG 3.06Å |
| 62 | S | 97.1 | Very high | 97.1 | Very high | 15 Ų | 15 | 37.2 Ų | 37.2 | 11% | 0.105 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -95.2 | 145.2 | -175.3 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | D59 H64 G94 K126 | D59-S62 PolarHBondContact O-N 2.93Å; S62-H64 PolarHBondContact O-ND1 3.17Å; S62-G94 PolarHBondContact O-N 3.27Å; S62-K126 WeakPolarHBondContact OG-CE 3.49Å; S62-K126 PolarHBondContact OG-NZ 2.81Å |
| 63 | L | 98.5 | Very high | 97.1 | Very high | 46 Ų | 46 | 37.1 Ų | 37.1 | 24% | 0.241 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 144.3 | 170.8 | -64.3 | 179.7 | 0 | 0 | 0 | 110.7 | I92 P93 Q127 R130 | L63-I92 CarbonylContact C-O 3.6Å; L63-I92 VanDerWaalsContact CA-O 3.3Å; L63-I92 WeakPolarHBondContact CA-O 3.33Å; L63-P93 HydrophobicContact CD2-CB 4.41Å; L63-Q127 HydrophobicContact CB-CB 4.05Å; L63-Q127 HydrophobicContact CB-CG 4.37Å; L63-Q127 WeakPolarHBondContact O-CB 3.45Å; L63-Q127 PolarHBondContact O-N 2.76Å; L63-R130 HydrophobicContact CD1-CB 4.13Å; L63-R130 HydrophobicContact CD1-CG 4.22Å |
| 64 | H | 98.7 | Very high | 97 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 155.6 | 178.4 | -62.6 | 80.1 | 0 | 0 | 0 | 111.9 | W56 S62 N91 I92 G94 V124 Y125 Q127 | W56-H64 HydrophobicContact CZ2-CB 3.9Å; W56-H64 AromaticContact NE1-CD2 3.65Å; W56-H64 AromaticContact NE1-CG 3.72Å; S62-H64 PolarHBondContact O-ND1 3.17Å; H64-N91 PolarHBondContact O-N 3.01Å; H64-I92 HydrophobicContact CB-CB 4.32Å; H64-I92 PolarHBondContact N-O 2.82Å; H64-I92 WeakPolarHBondContact O-CB 3.3Å; H64-I92 WeakPolarHBondContact O-CG1 3.47Å; H64-I92 PolarHBondContact O-N 2.92Å; H64-G94 PolarHBondContact ND1-O 2.64Å; H64-V124 HydrophobicContact CB-CG1 4.31Å; H64-Y125 CarbonylContact C-O 3.59Å; H64-Y125 WeakPolarHBondContact CA-O 3.4Å; H64-Y125 WeakPolarHBondContact CB-O 3.35Å; H64-Q127 PolarHBondContact O-OE1 3.37Å; H64-Q127 VanDerWaalsContact O-OE1 3.06Å |
| 65 | T | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 133.3 | 168.8 | -71.1 | 0 | 0 | 0 | 0 | 108.9 | I67 L88 V89 V90 V124 Y125 Q127 I131 F155 L161 | T65-I67 HydrophobicContact CG2-CD1 4.08Å; T65-I67 HydrophobicContact CG2-CG1 3.97Å; T65-L88 HydrophobicContact CG2-CD1 4.02Å; T65-V89 CarbonylContact C-O 3.6Å; T65-V89 VanDerWaalsContact CA-O 3.3Å; T65-V89 WeakPolarHBondContact CA-O 3.36Å; T65-V90 HydrophobicContact CG2-CG1 4.1Å; T65-V124 CarbonylContact O-C 3.59Å; T65-V124 VanDerWaalsContact O-CA 3.3Å; T65-V124 WeakPolarHBondContact O-CA 3.42Å; T65-Y125 PolarHBondContact N-O 2.73Å; T65-Y125 PolarHBondContact O-N 3.31Å; T65-Q127 PolarHBondContact OG1-OE1 2.99Å; T65-I131 WeakPolarHBondContact OG1-CD1 2.95Å; T65-F155 HydrophobicContact CG2-CE1 4.08Å; T65-L161 HydrophobicContact CG2-CD1 4.29Å |
| 66 | L | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 128.8 | 169.8 | 174.8 | 67.4 | 0 | 0 | 0 | 109.5 | V54 W56 W87 L88 V89 I92 V97 F122 V124 | V54-L66 HydrophobicContact CG2-CD2 3.88Å; W56-L66 HydrophobicContact CH2-CB 4.41Å; W56-L66 HydrophobicContact CZ3-CD1 4.37Å; L66-W87 HydrophobicContact CD2-CD2 4.24Å; L66-W87 HydrophobicContact CD2-CE3 3.6Å; L66-W87 HydrophobicContact CD2-CH2 3.98Å; L66-W87 HydrophobicContact CD2-CZ3 3.46Å; L66-W87 VanDerWaalsContact CD2-CZ3 3.46Å; L66-W87 HydrophobicContact CG-CE3 4.49Å; L66-L88 WeakPolarHBondContact O-CA 3.36Å; L66-V89 HydrophobicContact CB-CB 4.5Å; L66-V89 PolarHBondContact N-O 2.8Å; L66-V89 PolarHBondContact O-N 3.1Å; L66-I92 HydrophobicContact CB-CD1 3.72Å; L66-V97 HydrophobicContact CD2-CG1 4.36Å; L66-V97 HydrophobicContact CD2-CG2 4.47Å; L66-F122 HydrophobicContact CD1-CD1 4.4Å; L66-V124 HydrophobicContact CD1-CG2 3.96Å |
| 67 | I | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 132.5 | 173.4 | -66.8 | 158.5 | 0 | 0 | 0 | 108.4 | T65 T69 W87 L88 F122 L123 Y125 W150 A152 F155 | T65-I67 HydrophobicContact CG2-CD1 4.08Å; T65-I67 HydrophobicContact CG2-CG1 3.97Å; I67-T69 HydrophobicContact CG2-CG2 4.42Å; I67-W87 CarbonylContact C-O 3.47Å; I67-W87 WeakPolarHBondContact CA-O 3.16Å; I67-L88 HydrophobicContact CD1-CD1 4.39Å; I67-L88 HydrophobicContact CG1-CD1 3.59Å; I67-F122 CarbonylContact O-C 3.11Å; I67-F122 WeakPolarHBondContact O-CA 3.42Å; I67-L123 HydrophobicContact CB-CB 4.34Å; I67-L123 PolarHBondContact N-O 3.36Å; I67-L123 PolarHBondContact O-N 3Å; I67-Y125 HydrophobicContact CD1-CD2 4.14Å; I67-Y125 HydrophobicContact CD1-CE2 3.9Å; I67-W150 HydrophobicContact CD1-CH2 3.89Å; I67-W150 HydrophobicContact CG1-CH2 4.07Å; I67-W150 HydrophobicContact CG2-CH2 4.04Å; I67-W150 HydrophobicContact CG2-CZ3 3.84Å; I67-A152 HydrophobicContact CD1-CB 4.32Å; I67-A152 HydrophobicContact CG2-CB 4.2Å; I67-F155 HydrophobicContact CD1-CD1 4.18Å |
| 68 | V | 98.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123.5 | 164.1 | -173.7 | 0 | 0 | 0 | 0 | 108.2 | H85 H86 W87 V121 F122 | V68-H85 CarbonylContact O-C 3.53Å; V68-H86 HydrophobicContact CB-CB 4.28Å; V68-H86 HydrophobicContact CG1-CB 4.06Å; V68-H86 PolarHBondContact O-N 2.88Å; V68-W87 HydrophobicContact CB-CB 3.86Å; V68-W87 HydrophobicContact CG2-CB 3.89Å; V68-W87 HydrophobicContact CG2-CE3 3.97Å; V68-W87 PolarHBondContact N-O 2.99Å; V68-W87 PolarHBondContact O-N 3.21Å; V68-V121 CarbonylContact C-O 3.32Å; V68-V121 VanDerWaalsContact CA-O 3.3Å; V68-V121 WeakPolarHBondContact CA-O 3.33Å; V68-F122 HydrophobicContact CG1-CE1 4.39Å; V68-F122 HydrophobicContact CG1-CE2 4.43Å; V68-F122 HydrophobicContact CG1-CZ 4.27Å; V68-F122 HydrophobicContact CG2-CD1 3.49Å; V68-F122 VanDerWaalsContact CG2-CD1 3.49Å; V68-F122 HydrophobicContact CG2-CE1 3.48Å; V68-F122 VanDerWaalsContact CG2-CE1 3.48Å; V68-F122 HydrophobicContact CG2-CG 4.17Å; V68-F122 HydrophobicContact CG2-CZ 4.17Å |
| 69 | T | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 145.1 | -169.6 | -160.5 | 0 | 0 | 0 | 0 | 113.1 | V18 I67 E83 V121 | V18-T69 HydrophobicContact CG1-CG2 3.85Å; I67-T69 HydrophobicContact CG2-CG2 4.42Å; T69-E83 WeakPolarHBondContact CB-OE2 3.49Å; T69-E83 WeakPolarHBondContact CG2-OE2 3.47Å; T69-E83 WeakPolarHBondContact OG1-CB 3.4Å; T69-E83 PolarHBondContact OG1-OE2 3.43Å; T69-V121 HydrophobicContact CG2-CB 4.13Å; T69-V121 PolarHBondContact N-O 2.92Å; T69-V121 PolarHBondContact O-N 3.43Å |
| 70 | D | 98.8 | Very high | 97.6 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 106.2 | 175.3 | 174.8 | 16.5 | 0 | 0 | 0 | 110.4 | D72 E83 W84 H118 R119 Y120 | D70-D72 PolarHBondContact O-N 3.16Å; D70-D72 WeakPolarHBondContact OD1-CA 3.33Å; D70-D72 WeakPolarHBondContact OD1-CB 3.17Å; D70-D72 PolarHBondContact OD1-N 2.91Å; D70-E83 CarbonylContact O-C 3.11Å; D70-E83 WeakPolarHBondContact O-CA 3.23Å; D70-W84 PolarHBondContact N-O 2.75Å; D70-W84 PolarHBondContact O-N 3.29Å; D70-H118 IonicContact OD1-CG 2.92Å; D70-H118 IonicContact OD1-ND1 3.89Å; D70-H118 PolarHBondContact OD1-ND1 2.83Å; D70-H118 IonicContact OD2-CE1 3.48Å; D70-H118 IonicContact OD2-CG 3.3Å; D70-H118 IonicContact OD2-ND1 3.91Å; D70-H118 PolarHBondContact OD2-ND1 3.34Å; D70-R119 WeakPolarHBondContact CA-O 3.19Å; D70-Y120 HydrophobicContact CB-CD1 4.42Å; D70-Y120 HydrophobicContact CB-CE1 4.25Å |
| 71 | P | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -5.6 | 175.7 | 34.3 | -33.8 | 0 | 0 | 0 | 113.3 | V18 P79 R82 E83 R119 | V18-P71 HydrophobicContact CG2-CB 3.71Å; V18-P71 HydrophobicContact CG2-CG 3.68Å; P71-P79 WeakPolarHBondContact O-CB 3.18Å; P71-R82 HydrophobicContact CB-CG 4.35Å; P71-R82 PolarHBondContact O-NE 2.98Å; P71-R82 PolarHBondContact O-NH2 3.15Å; P71-R82 VanDerWaalsContact O-NH2 3.14Å; P71-E83 HydrophobicContact CB-CG 4.26Å; P71-R119 WeakPolarHBondContact CD-O 3.3Å; P71-R119 HydrophobicContact CG-CB 4.35Å |
| 72 | D | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 5.8 | -172.7 | -59.1 | -35.3 | 0 | 0 | 0 | 111.7 | D70 P74 S75 R76 R82 H118 R119 | D70-D72 PolarHBondContact O-N 3.16Å; D70-D72 WeakPolarHBondContact OD1-CA 3.33Å; D70-D72 WeakPolarHBondContact OD1-CB 3.17Å; D70-D72 PolarHBondContact OD1-N 2.91Å; D72-P74 CarbonylContact O-C 3.54Å; D72-S75 CarbonylContact O-C 3.53Å; D72-S75 WeakPolarHBondContact O-CA 3.43Å; D72-S75 PolarHBondContact O-N 3.14Å; D72-S75 VanDerWaalsContact O-O 3.11Å; D72-R76 HydrophobicContact CB-CB 3.9Å; D72-R76 PolarHBondContact O-N 2.88Å; D72-R76 WeakPolarHBondContact OD1-CG 3.47Å; D72-R82 IonicContact OD1-NH2 3.83Å; D72-H118 HydrophobicContact CB-CB 4.02Å; D72-H118 PolarHBondContact O-CE1 2.86Å; D72-H118 PolarHBondContact O-ND1 2.86Å; D72-R119 IonicContact OD1-CZ 3.31Å; D72-R119 IonicContact OD1-NE 2.88Å; D72-R119 PolarHBondContact OD1-NE 3.21Å; D72-R119 IonicContact OD1-NH2 2.99Å; D72-R119 PolarHBondContact OD1-NH2 3.36Å; D72-R119 WeakPolarHBondContact OD2-CB 3.49Å; D72-R119 WeakPolarHBondContact OD2-CG 3.3Å; D72-R119 IonicContact OD2-CZ 3.56Å; D72-R119 PolarHBondContact OD2-N 2.85Å; D72-R119 IonicContact OD2-NE 2.75Å; D72-R119 PolarHBondContact OD2-NE 2.81Å; D72-R119 IonicContact OD2-NH2 2.73Å |
| 73 | A | 98.1 | Very high | 98.3 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 5% | 0.05 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -70 | 130.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P79 R80 F81 R82 W84 | A73-P79 CarbonylContact O-C 3.19Å; A73-P79 WeakPolarHBondContact O-CA 3.12Å; A73-R80 PolarHBondContact O-N 3.41Å; A73-F81 HydrophobicContact CB-CB 3.95Å; A73-F81 CarbonylContact O-C 3.54Å; A73-F81 WeakPolarHBondContact O-CA 3.34Å; A73-F81 PolarHBondContact O-N 2.8Å; A73-R82 PolarHBondContact O-N 2.96Å; A73-W84 HydrophobicContact CB-CB 3.55Å; A73-W84 HydrophobicContact CB-CG 4.35Å |
| 74 | P | 97.6 | Very high | 98.3 | Very high | 28 Ų | 28 | 37.4 Ų | 37.4 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | S | Bend | cis | -85.8 | -12.3 | -6 | 36.7 | -37.2 | 0 | 0 | 0 | 114 | D72 S78 R80 F81 P112 T115 H118 | D72-P74 CarbonylContact O-C 3.54Å; P74-S78 WeakPolarHBondContact CD-O 3.19Å; P74-R80 VanDerWaalsContact CD-CG 3.44Å; P74-R80 HydrophobicContact CG-CG 3.91Å; P74-F81 HydrophobicContact CB-CD2 4.15Å; P74-F81 HydrophobicContact CB-CE2 4.41Å; P74-F81 HydrophobicContact CG-CD2 4.14Å; P74-F81 HydrophobicContact CG-CE2 4.35Å; P74-P112 HydrophobicContact CB-CG 4.38Å; P74-T115 VanDerWaalsContact O-CB 3.22Å; P74-T115 WeakPolarHBondContact O-CB 3.35Å; P74-T115 WeakPolarHBondContact O-CG2 3.45Å; P74-T115 PolarHBondContact O-OG1 2.9Å; P74-H118 PolarHBondContact O-CE1 2.88Å; P74-H118 PolarHBondContact O-NE2 3.31Å |
| 75 | S | 98.2 | Very high | 98.3 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | trans | -148.5 | 148.9 | 167.4 | 64.2 | 0 | 0 | 0 | 0 | 110.2 | D72 S77 S78 P79 | D72-S75 CarbonylContact O-C 3.53Å; D72-S75 WeakPolarHBondContact O-CA 3.43Å; D72-S75 PolarHBondContact O-N 3.14Å; D72-S75 VanDerWaalsContact O-O 3.11Å; S75-S77 PolarHBondContact O-N 3.19Å; S75-S77 PolarHBondContact OG-OG 2.96Å; S75-S78 CarbonylContact O-C 3.59Å; S75-S78 PolarHBondContact O-N 3.48Å; S75-S78 PolarHBondContact OG-N 3.28Å; S75-P79 VanDerWaalsContact O-CA 3.23Å; S75-P79 WeakPolarHBondContact O-CA 3.36Å; S75-P79 WeakPolarHBondContact O-CB 3.44Å | ||
| 76 | R | 97.9 | Very high | 98.3 | Very high | 105 Ų | 105 | 37.5 Ų | 37.5 | 40% | 0.396 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -32.3 | 177.7 | -175 | 166.9 | -176.8 | 176.1 | 5.1 | 113 | H12 D72 | H12-R76 PolarHBondContact O-NH2 3.18Å; D72-R76 HydrophobicContact CB-CB 3.9Å; D72-R76 PolarHBondContact O-N 2.88Å; D72-R76 WeakPolarHBondContact OD1-CG 3.47Å |
| 77 | S | 97.7 | Very high | 98.3 | Very high | 113 Ų | 113 | 38.7 Ų | 38.7 | 79% | 0.79 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -20.9 | 178.4 | 52.2 | 0 | 0 | 0 | 0 | 113.9 | S75 | S75-S77 PolarHBondContact O-N 3.19Å; S75-S77 PolarHBondContact OG-OG 2.96Å |
| 78 | S | 97.8 | Very high | 98.3 | Very high | 72 Ų | 72 | 38.7 Ų | 38.7 | 50% | 0.503 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -147.1 | 69.5 | 177.1 | 177.5 | 0 | 0 | 0 | 0 | 111 | P74 S75 R80 | P74-S78 WeakPolarHBondContact CD-O 3.19Å; S75-S78 CarbonylContact O-C 3.59Å; S75-S78 PolarHBondContact O-N 3.48Å; S75-S78 PolarHBondContact OG-N 3.28Å; S78-R80 VanDerWaalsContact C-N 3.28Å; S78-R80 PolarHBondContact O-N 3.32Å |
| 79 | P | 97.7 | Very high | 98.3 | Very high | 38 Ų | 38 | 38.6 Ų | 38.6 | 25% | 0.247 | 19% | 0.19 | C | C | . | . | trans | -86 | 60.2 | -165.7 | 37.1 | -38.7 | 0 | 0 | 0 | 112.5 | P71 A73 S75 F81 R82 | P71-P79 WeakPolarHBondContact O-CB 3.18Å; A73-P79 CarbonylContact O-C 3.19Å; A73-P79 WeakPolarHBondContact O-CA 3.12Å; S75-P79 VanDerWaalsContact O-CA 3.23Å; S75-P79 WeakPolarHBondContact O-CA 3.36Å; S75-P79 WeakPolarHBondContact O-CB 3.44Å; P79-F81 PolarHBondContact O-N 3.22Å; P79-F81 VanDerWaalsContact O-N 3.1Å; P79-R82 HydrophobicContact CB-CB 4.16Å; P79-R82 VanDerWaalsContact O-CB 3.23Å; P79-R82 WeakPolarHBondContact O-CB 3.38Å; P79-R82 PolarHBondContact O-N 2.93Å | ||
| 80 | R | 97.2 | Very high | 98.3 | Very high | 185 Ų | 185 | 38.6 Ų | 38.6 | 70% | 0.698 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.5 | -176.5 | 63.5 | 172.8 | -174.6 | -171.4 | -0.6 | 115.1 | A73 P74 S78 | A73-R80 PolarHBondContact O-N 3.41Å; P74-R80 VanDerWaalsContact CD-CG 3.44Å; P74-R80 HydrophobicContact CG-CG 3.91Å; S78-R80 VanDerWaalsContact C-N 3.28Å; S78-R80 PolarHBondContact O-N 3.32Å |
| 81 | F | 96.3 | Very high | 98.2 | Very high | 90 Ų | 90 | 38.6 Ų | 38.6 | 40% | 0.395 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 13.4 | 176.2 | -57.5 | -51.1 | 0 | 0 | 0 | 112.3 | A73 P74 P79 E83 W84 G149 | A73-F81 HydrophobicContact CB-CB 3.95Å; A73-F81 CarbonylContact O-C 3.54Å; A73-F81 WeakPolarHBondContact O-CA 3.34Å; A73-F81 PolarHBondContact O-N 2.8Å; P74-F81 HydrophobicContact CB-CD2 4.15Å; P74-F81 HydrophobicContact CB-CE2 4.41Å; P74-F81 HydrophobicContact CG-CD2 4.14Å; P74-F81 HydrophobicContact CG-CE2 4.35Å; P79-F81 PolarHBondContact O-N 3.22Å; P79-F81 VanDerWaalsContact O-N 3.1Å; F81-E83 CarbonylContact O-C 3.48Å; F81-E83 WeakPolarHBondContact O-CA 3.34Å; F81-E83 PolarHBondContact O-N 3.1Å; F81-W84 PolarHBondContact O-N 3.13Å; F81-G149 PolarHBondContact O-N 3.22Å |
| 82 | R | 98.2 | Very high | 98.2 | Very high | 81 Ų | 81 | 38.6 Ų | 38.6 | 31% | 0.306 | 19% | 0.19 | S | C | . | . | trans | -54.7 | 128.9 | 176 | 177.2 | 172.6 | -68.7 | -166.9 | -5.8 | 110.7 | D17 P71 D72 A73 P79 G149 | D17-R82 IonicContact OD1-NH1 3.97Å; D17-R82 IonicContact OD2-NH1 3.39Å; D17-R82 IonicContact OD2-NH2 3.82Å; P71-R82 HydrophobicContact CB-CG 4.35Å; P71-R82 PolarHBondContact O-NE 2.98Å; P71-R82 PolarHBondContact O-NH2 3.15Å; P71-R82 VanDerWaalsContact O-NH2 3.14Å; D72-R82 IonicContact OD1-NH2 3.83Å; A73-R82 PolarHBondContact O-N 2.96Å; P79-R82 HydrophobicContact CB-CB 4.16Å; P79-R82 VanDerWaalsContact O-CB 3.23Å; P79-R82 WeakPolarHBondContact O-CB 3.38Å; P79-R82 PolarHBondContact O-N 2.93Å; R82-G149 WeakPolarHBondContact O-CA 3.44Å | ||
| 83 | E | 98.7 | Very high | 98.2 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 2% | 0.023 | 20% | 0.2 | C | C | . | . | cis | -87.8 | 151.9 | -21 | -59 | 158.5 | -134.6 | 0 | 0 | 110.2 | T69 D70 P71 F81 G148 G149 W150 S151 A152 | T69-E83 WeakPolarHBondContact CB-OE2 3.49Å; T69-E83 WeakPolarHBondContact CG2-OE2 3.47Å; T69-E83 WeakPolarHBondContact OG1-CB 3.4Å; T69-E83 PolarHBondContact OG1-OE2 3.43Å; D70-E83 CarbonylContact O-C 3.11Å; D70-E83 WeakPolarHBondContact O-CA 3.23Å; P71-E83 HydrophobicContact CB-CG 4.26Å; F81-E83 CarbonylContact O-C 3.48Å; F81-E83 WeakPolarHBondContact O-CA 3.34Å; F81-E83 PolarHBondContact O-N 3.1Å; E83-G148 CarbonylContact O-C 3.6Å; E83-G148 WeakPolarHBondContact O-CA 3.5Å; E83-G149 PolarHBondContact O-N 3.19Å; E83-G149 VanDerWaalsContact O-N 3.15Å; E83-W150 WeakPolarHBondContact CB-O 3.23Å; E83-W150 PolarHBondContact N-O 3.16Å; E83-W150 PolarHBondContact O-N 3.23Å; E83-S151 WeakPolarHBondContact OE1-CA 3.43Å; E83-A152 PolarHBondContact OE1-N 3.03Å; E83-A152 PolarHBondContact OE2-N 2.77Å | ||
| 84 | W | 98.7 | Very high | 98.2 | Very high | 37 Ų | 37 | 40 Ų | 40 | 14% | 0.14 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 108.7 | 167.4 | -158.5 | 104.1 | 0 | 0 | 0 | 108.5 | D70 A73 F81 H86 I107 R147 L185 | D70-W84 PolarHBondContact N-O 2.75Å; D70-W84 PolarHBondContact O-N 3.29Å; A73-W84 HydrophobicContact CB-CB 3.55Å; A73-W84 HydrophobicContact CB-CG 4.35Å; F81-W84 PolarHBondContact O-N 3.13Å; W84-H86 AromaticContact CE3-CD2 3.41Å; W84-H86 VanDerWaalsContact CE3-CD2 3.41Å; W84-H86 AromaticContact CE3-CE1 3.53Å; W84-H86 AromaticContact CE3-CG 3.81Å; W84-H86 AromaticContact CE3-ND1 3.9Å; W84-H86 AromaticContact CE3-NE2 3.21Å; W84-H86 HydrophobicContact CZ3-CB 4.4Å; W84-H86 AromaticContact CZ3-CD2 3.77Å; W84-H86 AromaticContact CZ3-CE1 3.36Å; W84-H86 WeakPolarHBondContact CZ3-CE1 3.2Å; W84-H86 AromaticContact CZ3-CG 3.68Å; W84-H86 AromaticContact CZ3-ND1 3.45Å; W84-H86 WeakPolarHBondContact CZ3-ND1 3.39Å; W84-H86 AromaticContact CZ3-NE2 3.57Å; W84-H86 PolarHBondContact O-CD2 3.48Å; W84-H86 VanDerWaalsContact O-CD2 3.28Å; W84-I107 HydrophobicContact CH2-CB 3.95Å; W84-I107 HydrophobicContact CH2-CD1 3.52Å; W84-I107 HydrophobicContact CH2-CG1 4.33Å; W84-I107 HydrophobicContact CH2-CG2 3.68Å; W84-I107 HydrophobicContact CZ2-CD1 4.38Å; W84-I107 HydrophobicContact CZ3-CB 4.09Å; W84-I107 HydrophobicContact CZ3-CD1 4.31Å; W84-I107 HydrophobicContact CZ3-CG2 4Å; W84-R147 WeakPolarHBondContact CA-O 3.16Å; W84-R147 HydrophobicContact CD2-CB 3.62Å; W84-R147 HydrophobicContact CE3-CB 4.13Å; W84-R147 HydrophobicContact CG-CB 4.14Å; W84-R147 HydrophobicContact CH2-CB 4Å; W84-R147 HydrophobicContact CH2-CG 3.85Å; W84-R147 HydrophobicContact CZ2-CB 3.43Å; W84-R147 VanDerWaalsContact CZ2-CB 3.43Å; W84-R147 HydrophobicContact CZ2-CG 3.57Å; W84-R147 HydrophobicContact CZ3-CB 4.3Å; W84-R147 HydrophobicContact CZ3-CG 4.39Å; W84-L185 HydrophobicContact CZ2-CD1 4.47Å |
| 85 | H | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 122.7 | -173.4 | 71.7 | -77.5 | 0 | 0 | 0 | 112 | V68 S104 H136 G146 R147 W150 | V68-H85 CarbonylContact O-C 3.53Å; H85-S104 PolarHBondContact CD2-OG 2.84Å; H85-S104 WeakPolarHBondContact NE2-CB 3.41Å; H85-S104 PolarHBondContact NE2-OG 3.16Å; H85-H136 AromaticContact NE2-CE1 3.64Å; H85-G146 PolarHBondContact CE1-O 3.11Å; H85-R147 PolarHBondContact N-O 2.86Å; H85-R147 VanDerWaalsContact N-O 3.09Å; H85-R147 PolarHBondContact ND1-O 2.87Å; H85-R147 VanDerWaalsContact O-CD 3.23Å; H85-R147 WeakPolarHBondContact O-CD 3.46Å; H85-R147 PolarHBondContact O-NH1 2.97Å; H85-W150 HydrophobicContact CB-CD2 4.1Å; H85-W150 HydrophobicContact CB-CE3 3.67Å; H85-W150 HydrophobicContact CB-CZ3 4.08Å; H85-W150 AromaticContact CE1-CD1 3.91Å; H85-W150 AromaticContact CE1-CG 3.92Å; H85-W150 AromaticContact CG-CD2 3.92Å; H85-W150 WeakPolarHBondContact ND1-CB 3.32Å; H85-W150 AromaticContact ND1-CD1 3.88Å; H85-W150 AromaticContact ND1-CD2 3.76Å; H85-W150 AromaticContact ND1-CG 3.42Å |
| 86 | H | 98.8 | Very high | 98.1 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -28.7 | -173.5 | -80 | -93.2 | 0 | 0 | 0 | 113.4 | V68 W84 E105 Y106 I107 G108 Y120 R147 | V68-H86 HydrophobicContact CB-CB 4.28Å; V68-H86 HydrophobicContact CG1-CB 4.06Å; V68-H86 PolarHBondContact O-N 2.88Å; W84-H86 AromaticContact CE3-CD2 3.41Å; W84-H86 VanDerWaalsContact CE3-CD2 3.41Å; W84-H86 AromaticContact CE3-CE1 3.53Å; W84-H86 AromaticContact CE3-CG 3.81Å; W84-H86 AromaticContact CE3-ND1 3.9Å; W84-H86 AromaticContact CE3-NE2 3.21Å; W84-H86 HydrophobicContact CZ3-CB 4.4Å; W84-H86 AromaticContact CZ3-CD2 3.77Å; W84-H86 AromaticContact CZ3-CE1 3.36Å; W84-H86 WeakPolarHBondContact CZ3-CE1 3.2Å; W84-H86 AromaticContact CZ3-CG 3.68Å; W84-H86 AromaticContact CZ3-ND1 3.45Å; W84-H86 WeakPolarHBondContact CZ3-ND1 3.39Å; W84-H86 AromaticContact CZ3-NE2 3.57Å; W84-H86 PolarHBondContact O-CD2 3.48Å; W84-H86 VanDerWaalsContact O-CD2 3.28Å; H86-E105 VanDerWaalsContact O-O 3.11Å; H86-Y106 CarbonylContact O-C 3.48Å; H86-Y106 WeakPolarHBondContact O-CA 3.45Å; H86-I107 WeakPolarHBondContact CB-O 3.43Å; H86-I107 PolarHBondContact ND1-O 3.23Å; H86-I107 PolarHBondContact O-N 3.34Å; H86-G108 PolarHBondContact CE1-O 3.39Å; H86-G108 PolarHBondContact ND1-O 3.48Å; H86-G108 VanDerWaalsContact ND1-O 3.09Å; H86-Y120 AromaticContact CD2-CD1 3.99Å; H86-Y120 AromaticContact CD2-CE1 3.85Å; H86-Y120 AromaticContact CE1-CE1 3.67Å; H86-Y120 AromaticContact NE2-CE1 3.43Å; H86-Y120 WeakPolarHBondContact NE2-CE1 3.37Å; H86-R147 PolarHBondContact O-NH1 3.46Å |
| 87 | W | 98.9 | Very high | 98.2 | Very high | 24 Ų | 24 | 41.5 Ų | 41.5 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 135 | -179.8 | -160.1 | 22.6 | 0 | 0 | 0 | 110.1 | P51 V54 L66 I67 V68 V89 V97 S104 Y106 | P51-W87 HydrophobicContact CB-CH2 4.36Å; V54-W87 HydrophobicContact CG1-CZ3 4.31Å; V54-W87 HydrophobicContact CG2-CZ3 4.42Å; L66-W87 HydrophobicContact CD2-CD2 4.24Å; L66-W87 HydrophobicContact CD2-CE3 3.6Å; L66-W87 HydrophobicContact CD2-CH2 3.98Å; L66-W87 HydrophobicContact CD2-CZ3 3.46Å; L66-W87 VanDerWaalsContact CD2-CZ3 3.46Å; L66-W87 HydrophobicContact CG-CE3 4.49Å; I67-W87 CarbonylContact C-O 3.47Å; I67-W87 WeakPolarHBondContact CA-O 3.16Å; V68-W87 HydrophobicContact CB-CB 3.86Å; V68-W87 HydrophobicContact CG2-CB 3.89Å; V68-W87 HydrophobicContact CG2-CE3 3.97Å; V68-W87 PolarHBondContact N-O 2.99Å; V68-W87 PolarHBondContact O-N 3.21Å; W87-V89 HydrophobicContact CD2-CG2 4.26Å; W87-V89 HydrophobicContact CG-CG2 4.39Å; W87-V89 HydrophobicContact CZ2-CG2 4.04Å; W87-V89 VanDerWaalsContact NE1-CG2 3.31Å; W87-V97 HydrophobicContact CH2-CG1 3.86Å; W87-V97 HydrophobicContact CZ2-CG1 3.84Å; W87-S104 VanDerWaalsContact CD1-O 3.26Å; W87-Y106 HydrophobicContact CB-CD2 3.99Å; W87-Y106 AromaticContact CD2-CD2 3.89Å; W87-Y106 HydrophobicContact CD2-CD2 3.89Å; W87-Y106 AromaticContact CE3-CD2 3.94Å; W87-Y106 HydrophobicContact CE3-CD2 3.94Å; W87-Y106 AromaticContact CG-CD2 3.92Å; W87-Y106 HydrophobicContact CG-CD2 3.92Å |
| 88 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 114.3 | 174.9 | 175.5 | 63.4 | 0 | 0 | 0 | 109.4 | T65 L66 I67 V90 L103 S104 W150 F155 | T65-L88 HydrophobicContact CG2-CD1 4.02Å; L66-L88 WeakPolarHBondContact O-CA 3.36Å; I67-L88 HydrophobicContact CD1-CD1 4.39Å; I67-L88 HydrophobicContact CG1-CD1 3.59Å; L88-V90 HydrophobicContact CD1-CG1 4.27Å; L88-L103 HydrophobicContact CD2-CB 3.87Å; L88-L103 HydrophobicContact CD2-CD1 3.96Å; L88-L103 HydrophobicContact CD2-CG 4.49Å; L88-L103 HydrophobicContact CG-CB 4.01Å; L88-L103 HydrophobicContact CG-CD1 4.31Å; L88-L103 PolarHBondContact O-N 2.86Å; L88-S104 PolarHBondContact N-O 3.42Å; L88-S104 PolarHBondContact O-N 3.09Å; L88-S104 VanDerWaalsContact O-N 3.13Å; L88-W150 HydrophobicContact CD2-CZ2 4.17Å; L88-F155 HydrophobicContact CD1-CE1 4.11Å; L88-F155 HydrophobicContact CD1-CZ 4.11Å; L88-F155 HydrophobicContact CD2-CE2 3.99Å; L88-F155 HydrophobicContact CD2-CZ 4.19Å |
| 89 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 125.8 | 177.1 | -171.7 | 0 | 0 | 0 | 0 | 108.4 | T65 L66 W87 I92 V97 E101 T102 | T65-V89 CarbonylContact C-O 3.6Å; T65-V89 VanDerWaalsContact CA-O 3.3Å; T65-V89 WeakPolarHBondContact CA-O 3.36Å; L66-V89 HydrophobicContact CB-CB 4.5Å; L66-V89 PolarHBondContact N-O 2.8Å; L66-V89 PolarHBondContact O-N 3.1Å; W87-V89 HydrophobicContact CD2-CG2 4.26Å; W87-V89 HydrophobicContact CG-CG2 4.39Å; W87-V89 HydrophobicContact CZ2-CG2 4.04Å; W87-V89 VanDerWaalsContact NE1-CG2 3.31Å; V89-I92 HydrophobicContact CB-CD1 3.97Å; V89-I92 HydrophobicContact CB-CG1 4.35Å; V89-I92 HydrophobicContact CG1-CD1 3.84Å; V89-I92 HydrophobicContact CG1-CG1 3.69Å; V89-V97 HydrophobicContact CB-CG1 4.49Å; V89-V97 HydrophobicContact CG1-CG1 4.23Å; V89-V97 HydrophobicContact CG2-CG1 4.3Å; V89-E101 WeakPolarHBondContact CA-O 3.18Å; V89-T102 HydrophobicContact CG2-CG2 4.36Å |
| 90 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 172.2 | 178.8 | -59.3 | 0 | 0 | 0 | 0 | 110.3 | T65 L88 I92 G100 E101 L103 I131 F155 | T65-V90 HydrophobicContact CG2-CG1 4.1Å; L88-V90 HydrophobicContact CD1-CG1 4.27Å; V90-I92 PolarHBondContact O-N 2.86Å; V90-G100 CarbonylContact O-C 3.51Å; V90-G100 WeakPolarHBondContact O-CA 3.44Å; V90-E101 HydrophobicContact CG2-CB 3.96Å; V90-E101 HydrophobicContact CG2-CG 4.31Å; V90-E101 PolarHBondContact N-O 2.81Å; V90-E101 PolarHBondContact O-N 3.33Å; V90-L103 HydrophobicContact CG1-CD1 3.75Å; V90-L103 HydrophobicContact CG1-CG 4.33Å; V90-L103 HydrophobicContact CG2-CD1 3.91Å; V90-L103 HydrophobicContact CG2-CD2 4.31Å; V90-L103 HydrophobicContact CG2-CG 3.92Å; V90-I131 HydrophobicContact CB-CB 4.26Å; V90-I131 HydrophobicContact CB-CD1 4.19Å; V90-I131 HydrophobicContact CB-CG2 4.42Å; V90-I131 HydrophobicContact CG1-CD1 4Å; V90-I131 HydrophobicContact CG1-CG2 4.32Å; V90-I131 HydrophobicContact CG2-CB 4.34Å; V90-I131 HydrophobicContact CG2-CG2 4.31Å; V90-F155 HydrophobicContact CG1-CE1 4.32Å; V90-F155 HydrophobicContact CG1-CZ 3.95Å |
| 91 | N | 98.6 | Very high | 98.2 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.027 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.1 | 33.3 | 173.6 | -57 | -38.1 | 0 | 0 | 0 | 113.5 | H64 P93 E101 Q127 R130 I131 | H64-N91 PolarHBondContact O-N 3.01Å; N91-P93 WeakPolarHBondContact O-CD 3.46Å; N91-E101 HydrophobicContact CB-CB 4.42Å; N91-E101 PolarHBondContact ND2-OE2 3.15Å; N91-Q127 PolarHBondContact OD1-NE2 3.34Å; N91-R130 HydrophobicContact CB-CG 4.44Å; N91-R130 PolarHBondContact ND2-NH1 3.35Å; N91-R130 VanDerWaalsContact ND2-NH1 3.15Å; N91-R130 WeakPolarHBondContact OD1-CA 3.2Å; N91-R130 WeakPolarHBondContact OD1-CG 3.44Å; N91-I131 PolarHBondContact ND2-O 3.4Å; N91-I131 PolarHBondContact OD1-N 2.97Å |
| 92 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 116.6 | 178.8 | -57.6 | 168.3 | 0 | 0 | 0 | 108.8 | W56 L63 H64 L66 V89 V90 G94 V97 | W56-I92 HydrophobicContact CH2-CD1 3.91Å; W56-I92 HydrophobicContact CH2-CG2 4.31Å; W56-I92 HydrophobicContact CZ2-CD1 4.31Å; W56-I92 HydrophobicContact CZ2-CG2 4.12Å; L63-I92 CarbonylContact C-O 3.6Å; L63-I92 VanDerWaalsContact CA-O 3.3Å; L63-I92 WeakPolarHBondContact CA-O 3.33Å; H64-I92 HydrophobicContact CB-CB 4.32Å; H64-I92 PolarHBondContact N-O 2.82Å; H64-I92 WeakPolarHBondContact O-CB 3.3Å; H64-I92 WeakPolarHBondContact O-CG1 3.47Å; H64-I92 PolarHBondContact O-N 2.92Å; L66-I92 HydrophobicContact CB-CD1 3.72Å; V89-I92 HydrophobicContact CB-CD1 3.97Å; V89-I92 HydrophobicContact CB-CG1 4.35Å; V89-I92 HydrophobicContact CG1-CD1 3.84Å; V89-I92 HydrophobicContact CG1-CG1 3.69Å; V90-I92 PolarHBondContact O-N 2.86Å; I92-G94 PolarHBondContact O-N 3.42Å; I92-V97 HydrophobicContact CD1-CG1 4.41Å; I92-V97 HydrophobicContact CD1-CG2 4.26Å; I92-V97 HydrophobicContact CG2-CG2 4.4Å |
| 93 | P | 98 | Very high | 98.4 | Very high | 33 Ų | 33 | 31.6 Ų | 31.6 | 21% | 0.214 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 115.9 | 176.3 | 28.9 | -31 | 0 | 0 | 0 | 110.5 | L63 N91 N95 K96 Q99 | L63-P93 HydrophobicContact CD2-CB 4.41Å; N91-P93 WeakPolarHBondContact O-CD 3.46Å; P93-N95 PolarHBondContact O-N 3.14Å; P93-K96 HydrophobicContact CG-CB 4.36Å; P93-K96 WeakPolarHBondContact O-CB 3.34Å; P93-K96 PolarHBondContact O-N 2.73Å; P93-K96 VanDerWaalsContact O-N 3.14Å; P93-Q99 HydrophobicContact CG-CB 3.71Å |
| 94 | G | 97.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | -116 | -168.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | S58 S62 H64 I92 | S58-G94 WeakPolarHBondContact OG-CA 3.33Å; S62-G94 PolarHBondContact O-N 3.27Å; H64-G94 PolarHBondContact ND1-O 2.64Å; I92-G94 PolarHBondContact O-N 3.42Å |
| 95 | N | 97.1 | Very high | 98.4 | Very high | 43 Ų | 43 | 32.5 Ų | 32.5 | 23% | 0.23 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 16.7 | 177.1 | 60.2 | 10 | 0 | 0 | 0 | 113 | H55 W56 S58 P93 V97 | H55-N95 PolarHBondContact CD2-ND2 2.86Å; H55-N95 PolarHBondContact NE2-ND2 2.8Å; W56-N95 HydrophobicContact CD2-CB 4Å; W56-N95 HydrophobicContact CE3-CB 4.48Å; W56-N95 HydrophobicContact CG-CB 4.41Å; W56-N95 HydrophobicContact CZ2-CB 4.05Å; W56-N95 PolarHBondContact O-ND2 2.97Å; S58-N95 PolarHBondContact OG-N 3.22Å; P93-N95 PolarHBondContact O-N 3.14Å; N95-V97 VanDerWaalsContact C-N 3.32Å; N95-V97 PolarHBondContact O-N 2.73Å |
| 96 | K | 97.7 | Very high | 98.4 | Very high | 111 Ų | 111 | 33.4 Ų | 33.4 | 48% | 0.483 | 19% | 0.187 | S | C | . | . | trans | -81.8 | 72.2 | -177.7 | -61.5 | 171.1 | 179.6 | 173.6 | 0 | 111 | P93 A98 Q99 | P93-K96 HydrophobicContact CG-CB 4.36Å; P93-K96 WeakPolarHBondContact O-CB 3.34Å; P93-K96 PolarHBondContact O-N 2.73Å; P93-K96 VanDerWaalsContact O-N 3.14Å; K96-A98 PolarHBondContact O-N 2.78Å; K96-A98 VanDerWaalsContact O-N 3.09Å; K96-Q99 HydrophobicContact CB-CB 4.34Å; K96-Q99 HydrophobicContact CB-CG 4.21Å; K96-Q99 WeakPolarHBondContact O-CB 3.39Å; K96-Q99 PolarHBondContact O-N 2.95Å | ||
| 97 | V | 98.3 | Very high | 98.4 | Very high | 24 Ų | 24 | 33.1 Ų | 33.1 | 15% | 0.145 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -52.3 | -37.2 | -171.9 | -176.2 | 0 | 0 | 0 | 0 | 113.6 | V54 W56 L66 W87 V89 I92 N95 Q99 G100 | V54-V97 HydrophobicContact CG2-CB 4.45Å; V54-V97 HydrophobicContact CG2-CG2 3.44Å; V54-V97 VanDerWaalsContact CG2-CG2 3.44Å; W56-V97 HydrophobicContact CH2-CG2 3.7Å; W56-V97 HydrophobicContact CZ3-CG2 3.98Å; L66-V97 HydrophobicContact CD2-CG1 4.36Å; L66-V97 HydrophobicContact CD2-CG2 4.47Å; W87-V97 HydrophobicContact CH2-CG1 3.86Å; W87-V97 HydrophobicContact CZ2-CG1 3.84Å; V89-V97 HydrophobicContact CB-CG1 4.49Å; V89-V97 HydrophobicContact CG1-CG1 4.23Å; V89-V97 HydrophobicContact CG2-CG1 4.3Å; I92-V97 HydrophobicContact CD1-CG1 4.41Å; I92-V97 HydrophobicContact CD1-CG2 4.26Å; I92-V97 HydrophobicContact CG2-CG2 4.4Å; N95-V97 VanDerWaalsContact C-N 3.32Å; N95-V97 PolarHBondContact O-N 2.73Å; V97-Q99 PolarHBondContact O-N 2.87Å; V97-Q99 VanDerWaalsContact O-N 3.11Å; V97-G100 PolarHBondContact O-N 2.88Å |
| 98 | A | 97.4 | Very high | 98.4 | Very high | 109 Ų | 109 | 32 Ų | 32 | 90% | 0.901 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | -63.4 | -16.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K96 | K96-A98 PolarHBondContact O-N 2.78Å; K96-A98 VanDerWaalsContact O-N 3.09Å |
| 99 | Q | 97.8 | Very high | 98.4 | Very high | 124 Ų | 124 | 32 Ų | 32 | 58% | 0.579 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | -98.7 | 0 | 175.7 | -58.2 | -176.2 | 11.1 | 0 | 0 | 112.7 | P93 K96 V97 | P93-Q99 HydrophobicContact CG-CB 3.71Å; K96-Q99 HydrophobicContact CB-CB 4.34Å; K96-Q99 HydrophobicContact CB-CG 4.21Å; K96-Q99 WeakPolarHBondContact O-CB 3.39Å; K96-Q99 PolarHBondContact O-N 2.95Å; V97-Q99 PolarHBondContact O-N 2.87Å; V97-Q99 VanDerWaalsContact O-N 3.11Å |
| 100 | G | 98.4 | Very high | 98.4 | Very high | 21 Ų | 21 | 32.7 Ų | 32.7 | 22% | 0.216 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -79.7 | 174.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V90 V97 | V90-G100 CarbonylContact O-C 3.51Å; V90-G100 WeakPolarHBondContact O-CA 3.44Å; V97-G100 PolarHBondContact O-N 2.88Å |
| 101 | E | 98.7 | Very high | 98.3 | Very high | 62 Ų | 62 | 32.8 Ų | 32.8 | 29% | 0.29 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 112.5 | 175.7 | -178.5 | 178.1 | 163.1 | 0 | 0 | 109.2 | V89 V90 N91 L103 R130 | V89-E101 WeakPolarHBondContact CA-O 3.18Å; V90-E101 HydrophobicContact CG2-CB 3.96Å; V90-E101 HydrophobicContact CG2-CG 4.31Å; V90-E101 PolarHBondContact N-O 2.81Å; V90-E101 PolarHBondContact O-N 3.33Å; N91-E101 HydrophobicContact CB-CB 4.42Å; N91-E101 PolarHBondContact ND2-OE2 3.15Å; E101-L103 HydrophobicContact CG-CD2 4.23Å; E101-L103 PolarHBondContact O-N 2.97Å; E101-R130 IonicContact OE2-CZ 2.76Å; E101-R130 IonicContact OE2-NH1 3.73Å; E101-R130 PolarHBondContact OE2-NH1 2.87Å; E101-R130 IonicContact OE2-NH2 2.78Å |
| 102 | T | 98.8 | Very high | 98.3 | Very high | 49 Ų | 49 | 34.3 Ų | 34.3 | 30% | 0.301 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 111.5 | -179.1 | -61.6 | 0 | 0 | 0 | 0 | 110.1 | V89 E105 H138 | V89-T102 HydrophobicContact CG2-CG2 4.36Å; T102-E105 HydrophobicContact CG2-CG 4.21Å; T102-H138 PolarHBondContact O-CE1 2.97Å; T102-H138 PolarHBondContact O-ND1 3.43Å |
| 103 | L | 98.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -35 | 176.8 | -60.4 | -175.1 | 0 | 0 | 0 | 111.8 | L88 V90 E101 D133 H138 L139 F155 | L88-L103 HydrophobicContact CD2-CB 3.87Å; L88-L103 HydrophobicContact CD2-CD1 3.96Å; L88-L103 HydrophobicContact CD2-CG 4.49Å; L88-L103 HydrophobicContact CG-CB 4.01Å; L88-L103 HydrophobicContact CG-CD1 4.31Å; L88-L103 PolarHBondContact O-N 2.86Å; V90-L103 HydrophobicContact CG1-CD1 3.75Å; V90-L103 HydrophobicContact CG1-CG 4.33Å; V90-L103 HydrophobicContact CG2-CD1 3.91Å; V90-L103 HydrophobicContact CG2-CD2 4.31Å; V90-L103 HydrophobicContact CG2-CG 3.92Å; E101-L103 HydrophobicContact CG-CD2 4.23Å; E101-L103 PolarHBondContact O-N 2.97Å; L103-D133 HydrophobicContact CD1-CB 4.2Å; L103-H138 CarbonylContact O-C 3.49Å; L103-H138 WeakPolarHBondContact O-CA 3.41Å; L103-L139 PolarHBondContact O-N 2.78Å; L103-F155 HydrophobicContact CD1-CZ 4.42Å |
| 104 | S | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 114.8 | 171.6 | -55.8 | 0 | 0 | 0 | 0 | 108.8 | H85 W87 L88 H136 L139 | H85-S104 PolarHBondContact CD2-OG 2.84Å; H85-S104 WeakPolarHBondContact NE2-CB 3.41Å; H85-S104 PolarHBondContact NE2-OG 3.16Å; W87-S104 VanDerWaalsContact CD1-O 3.26Å; L88-S104 PolarHBondContact N-O 3.42Å; L88-S104 PolarHBondContact O-N 3.09Å; L88-S104 VanDerWaalsContact O-N 3.13Å; S104-H136 PolarHBondContact OG-CE1 3.26Å; S104-H136 PolarHBondContact OG-NE2 2.76Å; S104-L139 WeakPolarHBondContact CA-O 3.3Å |
| 105 | E | 98.8 | Very high | 98.3 | Very high | 60 Ų | 60 | 45.5 Ų | 45.5 | 28% | 0.28 | 27% | 0.27 | S | S | . | . | trans | -59.7 | 154.3 | 178.4 | -66.3 | -178.9 | 171.2 | 0 | 0 | 111.5 | H86 T102 I107 H138 L139 T140 N141 R147 | H86-E105 VanDerWaalsContact O-O 3.11Å; T102-E105 HydrophobicContact CG2-CG 4.21Å; E105-I107 PolarHBondContact O-N 3.19Å; E105-H138 IonicContact OE1-CE1 3.89Å; E105-H138 IonicContact OE1-NE2 3.71Å; E105-H138 PolarHBondContact OE1-NE2 2.86Å; E105-L139 PolarHBondContact N-O 3.28Å; E105-T140 VanDerWaalsContact OE2-CA 3.28Å; E105-T140 WeakPolarHBondContact OE2-CA 3.37Å; E105-N141 HydrophobicContact CB-CB 4.1Å; E105-N141 PolarHBondContact OE2-N 3.07Å; E105-R147 VanDerWaalsContact O-CZ 3.29Å; E105-R147 PolarHBondContact O-NH1 2.84Å; E105-R147 PolarHBondContact O-NH2 2.88Å | ||
| 106 | Y | 98.8 | Very high | 98.4 | Very high | 20 Ų | 20 | 45.1 Ų | 45.1 | 8% | 0.078 | 28% | 0.276 | C | S | . | . | trans | -63.9 | 130.2 | -179.5 | -177.5 | -93.4 | 0 | 0 | 0 | 111.6 | V48 D50 P51 H86 W87 N141 | V48-Y106 PolarHBondContact O-OH 3.46Å; D50-Y106 VanDerWaalsContact C-CE1 3.42Å; P51-Y106 HydrophobicContact CB-CD1 3.97Å; P51-Y106 HydrophobicContact CB-CD2 3.97Å; P51-Y106 HydrophobicContact CB-CE1 4.44Å; P51-Y106 HydrophobicContact CB-CE2 4.46Å; P51-Y106 HydrophobicContact CB-CG 3.7Å; P51-Y106 HydrophobicContact CG-CD1 4.38Å; P51-Y106 HydrophobicContact CG-CG 4.43Å; H86-Y106 CarbonylContact O-C 3.48Å; H86-Y106 WeakPolarHBondContact O-CA 3.45Å; W87-Y106 HydrophobicContact CB-CD2 3.99Å; W87-Y106 AromaticContact CD2-CD2 3.89Å; W87-Y106 HydrophobicContact CD2-CD2 3.89Å; W87-Y106 AromaticContact CE3-CD2 3.94Å; W87-Y106 HydrophobicContact CE3-CD2 3.94Å; W87-Y106 AromaticContact CG-CD2 3.92Å; W87-Y106 HydrophobicContact CG-CD2 3.92Å; Y106-N141 VanDerWaalsContact O-CB 3.31Å; Y106-N141 WeakPolarHBondContact O-CB 3.46Å | ||
| 107 | I | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | trans | -121.1 | 128.8 | 164.8 | -69.1 | 170.1 | 0 | 0 | 0 | 107.5 | W84 H86 E105 N141 R147 L181 L185 | W84-I107 HydrophobicContact CH2-CB 3.95Å; W84-I107 HydrophobicContact CH2-CD1 3.52Å; W84-I107 HydrophobicContact CH2-CG1 4.33Å; W84-I107 HydrophobicContact CH2-CG2 3.68Å; W84-I107 HydrophobicContact CZ2-CD1 4.38Å; W84-I107 HydrophobicContact CZ3-CB 4.09Å; W84-I107 HydrophobicContact CZ3-CD1 4.31Å; W84-I107 HydrophobicContact CZ3-CG2 4Å; H86-I107 WeakPolarHBondContact CB-O 3.43Å; H86-I107 PolarHBondContact ND1-O 3.23Å; H86-I107 PolarHBondContact O-N 3.34Å; E105-I107 PolarHBondContact O-N 3.19Å; I107-N141 HydrophobicContact CG1-CB 3.91Å; I107-R147 VanDerWaalsContact CD1-CZ 3.48Å; I107-L181 HydrophobicContact CG2-CD1 4.02Å; I107-L181 HydrophobicContact CG2-CD2 4.2Å; I107-L185 HydrophobicContact CD1-CD2 3.6Å; I107-L185 HydrophobicContact CG1-CD2 4.2Å; I107-L185 HydrophobicContact CG2-CD1 4.38Å | ||
| 108 | G | 98.4 | Very high | 98.4 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | trans | -64.3 | 175.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | H86 G110 | H86-G108 PolarHBondContact CE1-O 3.39Å; H86-G108 PolarHBondContact ND1-O 3.48Å; H86-G108 VanDerWaalsContact ND1-O 3.09Å; G108-G110 PolarHBondContact O-N 2.83Å | ||
| 109 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -60.4 | 132.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | P45 V48 P111 Y120 Y170 A172 | P45-A109 HydrophobicContact CB-CB 4.43Å; P45-A109 WeakPolarHBondContact CB-O 3.45Å; P45-A109 HydrophobicContact CG-CB 4.46Å; V48-A109 HydrophobicContact CG2-CB 3.57Å; A109-P111 VanDerWaalsContact C-CD 3.49Å; A109-Y120 HydrophobicContact CB-CD1 4.3Å; A109-Y120 HydrophobicContact CB-CD2 4.4Å; A109-Y120 HydrophobicContact CB-CE1 3.63Å; A109-Y120 HydrophobicContact CB-CE2 3.8Å; A109-Y120 WeakPolarHBondContact CB-OH 3.43Å; A109-Y170 HydrophobicContact CB-CE2 4.37Å; A109-A172 HydrophobicContact CB-CB 3.99Å | ||
| 110 | G | 98.3 | Very high | 98.6 | Very high | 14 Ų | 14 | 30.3 Ų | 30.3 | 14% | 0.144 | 19% | 0.19 | C | C | . | . | trans | -135.3 | 41.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G108 Y120 Y182 | G108-G110 PolarHBondContact O-N 2.83Å; G110-Y120 PolarHBondContact N-OH 2.92Å; G110-Y182 PolarHBondContact O-OH 3.34Å | ||
| 111 | P | 98.3 | Very high | 98.6 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 128.6 | -174.7 | 29.7 | -33 | 0 | 0 | 0 | 110 | P45 A109 H118 Y120 | P45-P111 HydrophobicContact CG-CG 4.2Å; A109-P111 VanDerWaalsContact C-CD 3.49Å; P111-H118 HydrophobicContact CB-CB 4.39Å; P111-Y120 VanDerWaalsContact CD-OH 3.3Å; P111-Y120 WeakPolarHBondContact CD-OH 3.4Å |
| 112 | P | 98 | Very high | 98.6 | Very high | 37 Ų | 37 | 26.4 Ų | 26.4 | 24% | 0.24 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -63 | 156.2 | -178.9 | -17.2 | 27.4 | 0 | 0 | 0 | 113 | P74 G114 T115 Y182 | P74-P112 HydrophobicContact CB-CG 4.38Å; P112-G114 PolarHBondContact O-N 3.42Å; P112-T115 HydrophobicContact CB-CG2 3.72Å; P112-T115 HydrophobicContact CG-CG2 4.04Å; P112-T115 PolarHBondContact O-N 3.2Å; P112-T115 PolarHBondContact O-OG1 2.98Å; P112-Y182 VanDerWaalsContact CA-OH 3.28Å; P112-Y182 WeakPolarHBondContact CA-OH 3.33Å; P112-Y182 WeakPolarHBondContact CG-OH 3.21Å |
| 113 | K | 98.1 | Very high | 98.6 | Very high | 157 Ų | 157 | 24 Ų | 24 | 68% | 0.683 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | 130.7 | 177.6 | -166.1 | 174.3 | -176.8 | 177.6 | 0 | 110.2 | W174 | K113-W174 HydrophobicContact CB-CB 4.41Å; K113-W174 HydrophobicContact CB-CD2 4.11Å; K113-W174 HydrophobicContact CB-CG 3.8Å; K113-W174 HydrophobicContact CD-CD2 4.28Å; K113-W174 HydrophobicContact CD-CZ2 4.36Å; K113-W174 HydrophobicContact CG-CD2 3.97Å; K113-W174 HydrophobicContact CG-CE3 4.37Å; K113-W174 HydrophobicContact CG-CG 4.07Å |
| 114 | G | 98.1 | Very high | 98.6 | Very high | 81 Ų | 81 | 23.7 Ų | 23.7 | 84% | 0.835 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | 6.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115.7 | P112 | P112-G114 PolarHBondContact O-N 3.42Š|
| 115 | T | 98.4 | Very high | 98.6 | Very high | 33 Ų | 33 | 23.9 Ų | 23.9 | 20% | 0.202 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -94.9 | -3.5 | -179.7 | 66.2 | 0 | 0 | 0 | 0 | 113.9 | P74 P112 H118 | P74-T115 VanDerWaalsContact O-CB 3.22Å; P74-T115 WeakPolarHBondContact O-CB 3.35Å; P74-T115 WeakPolarHBondContact O-CG2 3.45Å; P74-T115 PolarHBondContact O-OG1 2.9Å; P112-T115 HydrophobicContact CB-CG2 3.72Å; P112-T115 HydrophobicContact CG-CG2 4.04Å; P112-T115 PolarHBondContact O-N 3.2Å; P112-T115 PolarHBondContact O-OG1 2.98Å; T115-H118 PolarHBondContact OG1-NE2 2.86Å |
| 116 | G | 98.4 | Very high | 98.6 | Very high | 34 Ų | 34 | 25.3 Ų | 25.3 | 35% | 0.351 | 16% | 0.156 | S | C | . | . | trans | 78.4 | -155.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q173 | G116-Q173 VanDerWaalsContact O-CB 3.24Å; G116-Q173 WeakPolarHBondContact O-CB 3.41Å | ||
| 117 | L | 98.8 | Very high | 98.6 | Very high | 56 Ų | 56 | 24.9 Ų | 24.9 | 29% | 0.293 | 15% | 0.154 | S | C | . | . | P | Polyproline II helix | trans | -80.8 | 130.6 | 177.8 | -70.7 | 168.8 | 0 | 0 | 0 | 110.7 | V42 Q171 A172 Q173 | V42-L117 HydrophobicContact CG1-CD2 3.72Å; V42-L117 HydrophobicContact CG2-CD1 4.07Å; V42-L117 HydrophobicContact CG2-CD2 4.08Å; L117-Q171 HydrophobicContact CB-CB 4.31Å; L117-Q171 HydrophobicContact CD2-CB 4.08Å; L117-A172 WeakPolarHBondContact CA-O 3.08Å; L117-Q173 HydrophobicContact CD2-CB 3.91Å; L117-Q173 HydrophobicContact CD2-CG 4.09Å; L117-Q173 HydrophobicContact CG-CB 4.46Å |
| 118 | H | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 144.9 | 168.1 | -73.7 | -140 | 0 | 0 | 0 | 109.6 | D70 D72 P74 P111 T115 Y120 Q171 A172 | D70-H118 IonicContact OD1-CG 2.92Å; D70-H118 IonicContact OD1-ND1 3.89Å; D70-H118 PolarHBondContact OD1-ND1 2.83Å; D70-H118 IonicContact OD2-CE1 3.48Å; D70-H118 IonicContact OD2-CG 3.3Å; D70-H118 IonicContact OD2-ND1 3.91Å; D70-H118 PolarHBondContact OD2-ND1 3.34Å; D72-H118 HydrophobicContact CB-CB 4.02Å; D72-H118 PolarHBondContact O-CE1 2.86Å; D72-H118 PolarHBondContact O-ND1 2.86Å; P74-H118 PolarHBondContact O-CE1 2.88Å; P74-H118 PolarHBondContact O-NE2 3.31Å; P111-H118 HydrophobicContact CB-CB 4.39Å; T115-H118 PolarHBondContact OG1-NE2 2.86Å; H118-Y120 HydrophobicContact CB-CD2 4.5Å; H118-Y120 HydrophobicContact CB-CE2 3.7Å; H118-Y120 WeakPolarHBondContact O-CD2 3.48Å; H118-Q171 CarbonylContact O-C 3.59Å; H118-Q171 WeakPolarHBondContact O-CA 3.44Å; H118-A172 PolarHBondContact N-O 3.47Å; H118-A172 PolarHBondContact O-N 2.82Å |
| 119 | R | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 128.1 | 174.6 | -64.3 | 167.6 | -66.7 | 168.4 | 4.7 | 109.7 | H12 G13 D17 D70 P71 D72 V121 Q171 | H12-R119 WeakPolarHBondContact O-CD 3.41Å; H12-R119 PolarHBondContact O-NH1 3.36Å; G13-R119 PolarHBondContact O-NH1 3.02Å; D17-R119 IonicContact OD2-CZ 3.79Å; D17-R119 VanDerWaalsContact OD2-CZ 3.31Å; D17-R119 IonicContact OD2-NH1 2.88Å; D17-R119 PolarHBondContact OD2-NH1 3.36Å; D17-R119 IonicContact OD2-NH2 2.73Å; D17-R119 PolarHBondContact OD2-NH2 3Å; D70-R119 WeakPolarHBondContact CA-O 3.19Å; P71-R119 WeakPolarHBondContact CD-O 3.3Å; P71-R119 HydrophobicContact CG-CB 4.35Å; D72-R119 IonicContact OD1-CZ 3.31Å; D72-R119 IonicContact OD1-NE 2.88Å; D72-R119 PolarHBondContact OD1-NE 3.21Å; D72-R119 IonicContact OD1-NH2 2.99Å; D72-R119 PolarHBondContact OD1-NH2 3.36Å; D72-R119 WeakPolarHBondContact OD2-CB 3.49Å; D72-R119 WeakPolarHBondContact OD2-CG 3.3Å; D72-R119 IonicContact OD2-CZ 3.56Å; D72-R119 PolarHBondContact OD2-N 2.85Å; D72-R119 IonicContact OD2-NE 2.75Å; D72-R119 PolarHBondContact OD2-NE 2.81Å; D72-R119 IonicContact OD2-NH2 2.73Å; R119-V121 HydrophobicContact CB-CG2 4.31Å; R119-Q171 HydrophobicContact CG-CG 4.23Å |
| 120 | Y | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 105.7 | 173.7 | -66.5 | -94.3 | 0 | 0 | 0 | 107.9 | D70 H86 A109 G110 P111 H118 L169 Y170 A172 | D70-Y120 HydrophobicContact CB-CD1 4.42Å; D70-Y120 HydrophobicContact CB-CE1 4.25Å; H86-Y120 AromaticContact CD2-CD1 3.99Å; H86-Y120 AromaticContact CD2-CE1 3.85Å; H86-Y120 AromaticContact CE1-CE1 3.67Å; H86-Y120 AromaticContact NE2-CE1 3.43Å; H86-Y120 WeakPolarHBondContact NE2-CE1 3.37Å; A109-Y120 HydrophobicContact CB-CD1 4.3Å; A109-Y120 HydrophobicContact CB-CD2 4.4Å; A109-Y120 HydrophobicContact CB-CE1 3.63Å; A109-Y120 HydrophobicContact CB-CE2 3.8Å; A109-Y120 WeakPolarHBondContact CB-OH 3.43Å; G110-Y120 PolarHBondContact N-OH 2.92Å; P111-Y120 VanDerWaalsContact CD-OH 3.3Å; P111-Y120 WeakPolarHBondContact CD-OH 3.4Å; H118-Y120 HydrophobicContact CB-CD2 4.5Å; H118-Y120 HydrophobicContact CB-CE2 3.7Å; H118-Y120 WeakPolarHBondContact O-CD2 3.48Å; Y120-L169 WeakPolarHBondContact O-CA 3.45Å; Y120-L169 WeakPolarHBondContact O-CB 3.29Å; Y120-Y170 VanDerWaalsContact CB-CE1 3.5Å; Y120-Y170 HydrophobicContact CD1-CE2 4.47Å; Y120-Y170 HydrophobicContact CD2-CD2 4.02Å; Y120-Y170 AromaticContact CD2-CE2 3.46Å; Y120-Y170 HydrophobicContact CD2-CE2 3.46Å; Y120-Y170 VanDerWaalsContact CD2-CE2 3.46Å; Y120-Y170 AromaticContact CD2-CZ 3.9Å; Y120-Y170 HydrophobicContact CE2-CE2 4.25Å; Y120-Y170 HydrophobicContact CG-CD2 4.35Å; Y120-Y170 HydrophobicContact CG-CE1 4.18Å; Y120-Y170 AromaticContact CG-CE2 3.62Å; Y120-Y170 HydrophobicContact CG-CE2 3.62Å; Y120-Y170 AromaticContact CG-CZ 3.51Å; Y120-Y170 PolarHBondContact N-O 3.26Å; Y120-Y170 PolarHBondContact O-N 2.89Å; Y120-Y170 VanDerWaalsContact O-N 3.16Å; Y120-A172 HydrophobicContact CD2-CB 4.17Å; Y120-A172 HydrophobicContact CE2-CB 3.73Å |
| 121 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 124.3 | -168.5 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | F9 V14 V18 V68 T69 R119 L123 L169 | F9-V121 HydrophobicContact CE1-CG1 4.03Å; F9-V121 HydrophobicContact CZ-CG1 4.08Å; V14-V121 HydrophobicContact CG1-CB 4.49Å; V14-V121 HydrophobicContact CG1-CG1 3.67Å; V14-V121 HydrophobicContact CG1-CG2 4.01Å; V14-V121 HydrophobicContact CG2-CG2 3.85Å; V18-V121 HydrophobicContact CG2-CG2 4.38Å; V68-V121 CarbonylContact C-O 3.32Å; V68-V121 VanDerWaalsContact CA-O 3.3Å; V68-V121 WeakPolarHBondContact CA-O 3.33Å; T69-V121 HydrophobicContact CG2-CB 4.13Å; T69-V121 PolarHBondContact N-O 2.92Å; T69-V121 PolarHBondContact O-N 3.43Å; R119-V121 HydrophobicContact CB-CG2 4.31Å; V121-L123 HydrophobicContact CG1-CD2 3.96Å; V121-L123 HydrophobicContact CG1-CG 4Å; V121-L169 HydrophobicContact CG2-CB 4.44Å |
| 122 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 128.8 | 169.4 | -65.7 | -104.6 | 0 | 0 | 0 | 108.9 | A29 F31 A37 P52 V54 L66 I67 V68 G167 N168 Y170 | A29-F122 HydrophobicContact CB-CD1 4.34Å; A29-F122 HydrophobicContact CB-CE1 3.9Å; A29-F122 HydrophobicContact CB-CE2 4.27Å; A29-F122 HydrophobicContact CB-CZ 3.87Å; F31-F122 HydrophobicContact CZ-CZ 4.33Å; A37-F122 HydrophobicContact CB-CE2 4.36Å; P52-F122 HydrophobicContact CG-CE1 3.84Å; P52-F122 HydrophobicContact CG-CZ 3.97Å; V54-F122 HydrophobicContact CG1-CD1 4.34Å; V54-F122 HydrophobicContact CG1-CE1 4.1Å; L66-F122 HydrophobicContact CD1-CD1 4.4Å; I67-F122 CarbonylContact O-C 3.11Å; I67-F122 WeakPolarHBondContact O-CA 3.42Å; V68-F122 HydrophobicContact CG1-CE1 4.39Å; V68-F122 HydrophobicContact CG1-CE2 4.43Å; V68-F122 HydrophobicContact CG1-CZ 4.27Å; V68-F122 HydrophobicContact CG2-CD1 3.49Å; V68-F122 VanDerWaalsContact CG2-CD1 3.49Å; V68-F122 HydrophobicContact CG2-CE1 3.48Å; V68-F122 VanDerWaalsContact CG2-CE1 3.48Å; V68-F122 HydrophobicContact CG2-CG 4.17Å; V68-F122 HydrophobicContact CG2-CZ 4.17Å; F122-G167 WeakPolarHBondContact O-CA 3.24Å; F122-N168 HydrophobicContact CB-CB 4.19Å; F122-N168 HydrophobicContact CD2-CB 4.4Å; F122-N168 PolarHBondContact N-O 2.78Å; F122-N168 PolarHBondContact O-N 3.31Å; F122-N168 VanDerWaalsContact O-N 3.13Å; F122-Y170 AromaticContact CE2-CD1 3.78Å; F122-Y170 HydrophobicContact CE2-CD1 3.78Å; F122-Y170 AromaticContact CE2-CE1 3.68Å; F122-Y170 HydrophobicContact CE2-CE1 3.68Å; F122-Y170 HydrophobicContact CZ-CE1 4.11Å |
| 123 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 130.3 | 174.3 | -59 | 168.4 | 0 | 0 | 0 | 109 | F9 V18 V19 I67 V121 Y125 A152 P164 | F9-L123 HydrophobicContact CE1-CD2 3.81Å; F9-L123 HydrophobicContact CZ-CD2 4.34Å; V18-L123 HydrophobicContact CG1-CD1 3.94Å; V19-L123 HydrophobicContact CG1-CD1 3.77Å; V19-L123 HydrophobicContact CG1-CD2 3.91Å; I67-L123 HydrophobicContact CB-CB 4.34Å; I67-L123 PolarHBondContact N-O 3.36Å; I67-L123 PolarHBondContact O-N 3Å; V121-L123 HydrophobicContact CG1-CD2 3.96Å; V121-L123 HydrophobicContact CG1-CG 4Å; L123-Y125 HydrophobicContact CB-CD2 4.34Å; L123-Y125 HydrophobicContact CB-CE2 3.64Å; L123-Y125 HydrophobicContact CD1-CE2 4.27Å; L123-A152 HydrophobicContact CD1-CB 3.73Å; L123-P164 HydrophobicContact CD2-CB 4.19Å; L123-P164 HydrophobicContact CD2-CG 4.3Å |
| 124 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131.1 | 173.2 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | C27 W56 H64 T65 L66 P164 V165 A166 | C27-V124 HydrophobicContact CB-CG2 4Å; W56-V124 HydrophobicContact CD2-CB 4.38Å; W56-V124 HydrophobicContact CD2-CG1 3.76Å; W56-V124 HydrophobicContact CD2-CG2 3.82Å; W56-V124 HydrophobicContact CE3-CG1 4.38Å; W56-V124 HydrophobicContact CE3-CG2 3.67Å; W56-V124 HydrophobicContact CG-CG1 3.97Å; W56-V124 HydrophobicContact CG-CG2 4.27Å; W56-V124 HydrophobicContact CH2-CG2 4.48Å; W56-V124 HydrophobicContact CZ2-CG1 3.93Å; W56-V124 HydrophobicContact CZ3-CG2 4.01Å; H64-V124 HydrophobicContact CB-CG1 4.31Å; T65-V124 CarbonylContact O-C 3.59Å; T65-V124 VanDerWaalsContact O-CA 3.3Å; T65-V124 WeakPolarHBondContact O-CA 3.42Å; L66-V124 HydrophobicContact CD1-CG2 3.96Å; V124-P164 CarbonylContact O-C 3.59Å; V124-P164 VanDerWaalsContact O-CA 3.29Å; V124-P164 WeakPolarHBondContact O-CA 3.36Å; V124-V165 HydrophobicContact CB-CG2 4.36Å; V124-V165 HydrophobicContact CG1-CG2 3.97Å; V124-V165 WeakPolarHBondContact O-CG2 3.47Å; V124-V165 PolarHBondContact O-N 2.84Å; V124-A166 HydrophobicContact CB-CB 4.06Å; V124-A166 HydrophobicContact CG2-CB 4.32Å; V124-A166 PolarHBondContact N-O 2.89Å; V124-A166 PolarHBondContact O-N 3.09Å |
| 125 | Y | 98.7 | Very high | 98.2 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 142.4 | 176.2 | -66.4 | -96.7 | 0 | 0 | 0 | 110.7 | H64 T65 I67 L123 A156 L161 G162 P164 | H64-Y125 CarbonylContact C-O 3.59Å; H64-Y125 WeakPolarHBondContact CA-O 3.4Å; H64-Y125 WeakPolarHBondContact CB-O 3.35Å; T65-Y125 PolarHBondContact N-O 2.73Å; T65-Y125 PolarHBondContact O-N 3.31Å; I67-Y125 HydrophobicContact CD1-CD2 4.14Å; I67-Y125 HydrophobicContact CD1-CE2 3.9Å; L123-Y125 HydrophobicContact CB-CD2 4.34Å; L123-Y125 HydrophobicContact CB-CE2 3.64Å; L123-Y125 HydrophobicContact CD1-CE2 4.27Å; Y125-A156 HydrophobicContact CD1-CB 4.3Å; Y125-A156 HydrophobicContact CE1-CB 3.78Å; Y125-L161 HydrophobicContact CD1-CB 3.73Å; Y125-L161 HydrophobicContact CD1-CD1 4.49Å; Y125-L161 HydrophobicContact CD2-CD1 4.4Å; Y125-L161 HydrophobicContact CG-CB 3.99Å; Y125-L161 HydrophobicContact CG-CD1 4.03Å; Y125-G162 WeakPolarHBondContact CE1-O 3.43Å; Y125-P164 HydrophobicContact CD1-CB 4.31Å; Y125-P164 HydrophobicContact CE1-CB 3.91Å; Y125-P164 HydrophobicContact CE1-CG 4.33Å; Y125-P164 VanDerWaalsContact CE1-N 3.28Å; Y125-P164 HydrophobicContact CE2-CB 4.24Å |
| 126 | K | 98.3 | Very high | 98.2 | Very high | 90 Ų | 90 | 51.9 Ų | 51.9 | 39% | 0.391 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 128.4 | 167.8 | -174.4 | 178.9 | -177.7 | 171.7 | 0 | 109.1 | S62 V165 | S62-K126 WeakPolarHBondContact OG-CE 3.49Å; S62-K126 PolarHBondContact OG-NZ 2.81Å; K126-V165 HydrophobicContact CB-CG1 4.06Å |
| 127 | Q | 98.4 | Very high | 98.1 | Very high | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | trans | -85.9 | 145.7 | 178.4 | -60.4 | 179 | -167.5 | 0 | 0 | 111.4 | L63 H64 T65 N91 G129 I131 L161 | L63-Q127 HydrophobicContact CB-CB 4.05Å; L63-Q127 HydrophobicContact CB-CG 4.37Å; L63-Q127 WeakPolarHBondContact O-CB 3.45Å; L63-Q127 PolarHBondContact O-N 2.76Å; H64-Q127 PolarHBondContact O-OE1 3.37Å; H64-Q127 VanDerWaalsContact O-OE1 3.06Å; T65-Q127 PolarHBondContact OG1-OE1 2.99Å; N91-Q127 PolarHBondContact OD1-NE2 3.34Å; Q127-G129 VanDerWaalsContact C-N 3.31Å; Q127-G129 WeakPolarHBondContact CB-O 3.23Å; Q127-G129 PolarHBondContact NE2-O 3.13Å; Q127-I131 HydrophobicContact CG-CD1 4.03Å; Q127-I131 HydrophobicContact CG-CG1 4.47Å; Q127-L161 HydrophobicContact CB-CD2 4.38Å; Q127-L161 HydrophobicContact CG-CD2 3.95Å | ||
| 128 | Q | 96.9 | Very high | 98.1 | Very high | 143 Ų | 143 | 54.1 Ų | 54.1 | 67% | 0.668 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -82.6 | -11 | 171.5 | -57.6 | -57.6 | -39.5 | 0 | 0 | 112.9 | N160 | Q128-N160 WeakPolarHBondContact CG-O 3.22Š|
| 129 | G | 96.8 | Very high | 98.1 | Very high | 41 Ų | 41 | 55.7 Ų | 55.7 | 42% | 0.423 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -175.9 | -178.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111 | Q127 I131 | Q127-G129 VanDerWaalsContact C-N 3.31Å; Q127-G129 WeakPolarHBondContact CB-O 3.23Å; Q127-G129 PolarHBondContact NE2-O 3.13Å; G129-I131 PolarHBondContact O-N 2.91Å |
| 130 | R | 98.2 | Very high | 98.1 | Very high | 174 Ų | 174 | 58.6 Ų | 58.6 | 66% | 0.657 | 29% | 0.285 | S | S | * | . | trans | -70.4 | 129.8 | 176.5 | -158.6 | 175.5 | -152.2 | -74.4 | -5.2 | 110 | L63 N91 E101 | L63-R130 HydrophobicContact CD1-CB 4.13Å; L63-R130 HydrophobicContact CD1-CG 4.22Å; N91-R130 HydrophobicContact CB-CG 4.44Å; N91-R130 PolarHBondContact ND2-NH1 3.35Å; N91-R130 VanDerWaalsContact ND2-NH1 3.15Å; N91-R130 WeakPolarHBondContact OD1-CA 3.2Å; N91-R130 WeakPolarHBondContact OD1-CG 3.44Å; E101-R130 IonicContact OE2-CZ 2.76Å; E101-R130 IonicContact OE2-NH1 3.73Å; E101-R130 PolarHBondContact OE2-NH1 2.87Å; E101-R130 IonicContact OE2-NH2 2.78Å | ||
| 131 | I | 98.6 | Very high | 98.1 | Very high | 8 Ų | 8 | 61.1 Ų | 61.1 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | trans | -83.5 | 140.2 | 173.2 | -67.3 | 174.6 | 0 | 0 | 0 | 108.9 | T65 V90 N91 Q127 G129 D133 F155 H159 L161 | T65-I131 WeakPolarHBondContact OG1-CD1 2.95Å; V90-I131 HydrophobicContact CB-CB 4.26Å; V90-I131 HydrophobicContact CB-CD1 4.19Å; V90-I131 HydrophobicContact CB-CG2 4.42Å; V90-I131 HydrophobicContact CG1-CD1 4Å; V90-I131 HydrophobicContact CG1-CG2 4.32Å; V90-I131 HydrophobicContact CG2-CB 4.34Å; V90-I131 HydrophobicContact CG2-CG2 4.31Å; N91-I131 PolarHBondContact ND2-O 3.4Å; N91-I131 PolarHBondContact OD1-N 2.97Å; Q127-I131 HydrophobicContact CG-CD1 4.03Å; Q127-I131 HydrophobicContact CG-CG1 4.47Å; G129-I131 PolarHBondContact O-N 2.91Å; I131-D133 HydrophobicContact CG2-CB 4.17Å; I131-F155 HydrophobicContact CD1-CE1 4.38Å; I131-H159 HydrophobicContact CD1-CB 3.95Å; I131-H159 HydrophobicContact CG1-CB 4.22Å; I131-L161 HydrophobicContact CD1-CD2 4.07Å | ||
| 132 | N | 97.5 | Very high | 98 | Very high | 107 Ų | 107 | 68.7 Ų | 68.7 | 57% | 0.572 | 33% | 0.328 | S | S | * | . | trans | -138.4 | 90.3 | 169.6 | -177.5 | -3 | 0 | 0 | 0 | 107.8 | R134 | N132-R134 WeakPolarHBondContact OD1-CG 3.34Š| ||
| 133 | D | 97.6 | Very high | 97.9 | Very high | 11 Ų | 11 | 70.7 Ų | 70.7 | 6% | 0.059 | 34% | 0.342 | C | S | . | . | trans | -103.1 | 72.9 | -175 | -160.1 | -15 | 0 | 0 | 0 | 111.7 | L103 I131 E135 H136 K158 H159 | L103-D133 HydrophobicContact CD1-CB 4.2Å; I131-D133 HydrophobicContact CG2-CB 4.17Å; D133-E135 PolarHBondContact O-N 3.38Å; D133-E135 PolarHBondContact OD1-N 3.2Å; D133-H136 HydrophobicContact CB-CB 4.23Å; D133-H136 PolarHBondContact O-N 3.49Å; D133-H136 PolarHBondContact OD1-N 3.19Å; D133-K158 IonicContact OD1-NZ 2.75Å; D133-K158 PolarHBondContact OD1-NZ 3.34Å; D133-K158 WeakPolarHBondContact OD2-CE 3.28Å; D133-K158 IonicContact OD2-NZ 3.67Å; D133-K158 PolarHBondContact OD2-NZ 2.94Å; D133-H159 IonicContact OD2-CD2 3.44Å; D133-H159 IonicContact OD2-CE1 2.74Å; D133-H159 PolarHBondContact OD2-CE1 3.4Å; D133-H159 IonicContact OD2-NE2 2.94Å; D133-H159 PolarHBondContact OD2-NE2 2.65Å | ||
| 134 | R | 96.4 | Very high | 97.8 | Very high | 210 Ų | 210 | 72.1 Ų | 72.1 | 79% | 0.792 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -25.2 | 179.1 | -63.6 | -173.5 | 176.3 | 168.7 | -2.4 | 113.6 | N132 G137 | N132-R134 WeakPolarHBondContact OD1-CG 3.34Å; R134-G137 PolarHBondContact O-N 3.04Å |
| 135 | E | 97.1 | Very high | 97.7 | Very high | 164 Ų | 164 | 76.3 Ų | 76.3 | 77% | 0.766 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -37.3 | 178.3 | -176.5 | -171.4 | -168.3 | 0 | 0 | 111.4 | D133 G137 K158 | D133-E135 PolarHBondContact O-N 3.38Å; D133-E135 PolarHBondContact OD1-N 3.2Å; E135-G137 VanDerWaalsContact C-N 3.28Å; E135-G137 PolarHBondContact O-N 2.74Å; E135-K158 IonicContact OE2-NZ 3.76Å; E135-K158 PolarHBondContact OE2-NZ 3.13Å |
| 136 | H | 98.2 | Very high | 97.6 | Very high | 36 Ų | 36 | 78.7 Ų | 78.7 | 17% | 0.167 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -35.9 | 174.4 | -173.2 | 94.1 | 0 | 0 | 0 | 111.8 | H85 S104 D133 | H85-H136 AromaticContact NE2-CE1 3.64Å; S104-H136 PolarHBondContact OG-CE1 3.26Å; S104-H136 PolarHBondContact OG-NE2 2.76Å; D133-H136 HydrophobicContact CB-CB 4.23Å; D133-H136 PolarHBondContact O-N 3.49Å; D133-H136 PolarHBondContact OD1-N 3.19Å |
| 137 | G | 97.3 | Very high | 97.6 | Very high | 37 Ų | 37 | 74.4 Ų | 74.4 | 38% | 0.381 | 39% | 0.393 | S | S | . | . | trans | 68.5 | -140.9 | -175 | 0 | 0 | 0 | 0 | 0 | 111.6 | R134 E135 | R134-G137 PolarHBondContact O-N 3.04Å; E135-G137 VanDerWaalsContact C-N 3.28Å; E135-G137 PolarHBondContact O-N 2.74Å | ||
| 138 | H | 98.3 | Very high | 97.6 | Very high | 100 Ų | 100 | 75.4 Ų | 75.4 | 46% | 0.463 | 41% | 0.406 | S | S | . | . | trans | -135.2 | 120.3 | 177.9 | -179 | 81.6 | 0 | 0 | 0 | 110.3 | T102 L103 E105 | T102-H138 PolarHBondContact O-CE1 2.97Å; T102-H138 PolarHBondContact O-ND1 3.43Å; L103-H138 CarbonylContact O-C 3.49Å; L103-H138 WeakPolarHBondContact O-CA 3.41Å; E105-H138 IonicContact OE1-CE1 3.89Å; E105-H138 IonicContact OE1-NE2 3.71Å; E105-H138 PolarHBondContact OE1-NE2 2.86Å | ||
| 139 | L | 98.5 | Very high | 97.6 | Very high | 34 Ų | 34 | 71.4 Ų | 71.4 | 18% | 0.178 | 40% | 0.403 | C | S | . | . | B | Isolated β-bridge | trans | -101.3 | 117.2 | 177.7 | -55.6 | -174.2 | 0 | 0 | 0 | 110 | L103 S104 E105 R147 | L103-L139 PolarHBondContact O-N 2.78Å; S104-L139 WeakPolarHBondContact CA-O 3.3Å; E105-L139 PolarHBondContact N-O 3.28Å; L139-R147 HydrophobicContact CD1-CG 4.47Å; L139-R147 PolarHBondContact O-NH2 2.9Å |
| 140 | T | 98.4 | Very high | 97.6 | Very high | 60 Ų | 60 | 71.3 Ų | 71.3 | 37% | 0.368 | 39% | 0.39 | S | S | . | . | trans | -76.6 | 170.6 | 177.6 | 70.2 | 0 | 0 | 0 | 0 | 111.7 | E105 R142 R147 | E105-T140 VanDerWaalsContact OE2-CA 3.28Å; E105-T140 WeakPolarHBondContact OE2-CA 3.37Å; T140-R142 PolarHBondContact O-N 2.75Å; T140-R142 PolarHBondContact OG1-N 3.04Å; T140-R147 PolarHBondContact O-NH2 2.97Å | ||
| 141 | N | 98.2 | Very high | 97.6 | Very high | 54 Ų | 54 | 64.1 Ų | 64.1 | 29% | 0.289 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 11.7 | 172.6 | 75.2 | -3.5 | 0 | 0 | 0 | 113.6 | E105 Y106 I107 Q184 L185 | E105-N141 HydrophobicContact CB-CB 4.1Å; E105-N141 PolarHBondContact OE2-N 3.07Å; Y106-N141 VanDerWaalsContact O-CB 3.31Å; Y106-N141 WeakPolarHBondContact O-CB 3.46Å; I107-N141 HydrophobicContact CG1-CB 3.91Å; N141-Q184 PolarHBondContact O-NE2 2.87Å; N141-L185 VanDerWaalsContact O-CD2 3.29Å; N141-L185 WeakPolarHBondContact O-CD2 3.27Å |
| 142 | R | 97.9 | Very high | 97.6 | Very high | 159 Ų | 159 | 63.8 Ų | 63.8 | 60% | 0.6 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 8.7 | -174.3 | -55.4 | -55.4 | -59.3 | -80.8 | -3.3 | 113.9 | T140 Q184 | T140-R142 PolarHBondContact O-N 2.75Å; T140-R142 PolarHBondContact OG1-N 3.04Å; R142-Q184 WeakPolarHBondContact CA-O 3.34Å; R142-Q184 PolarHBondContact NE-O 3.06Å |
| 143 | S | 97.4 | Very high | 97.7 | Very high | 42 Ų | 42 | 61.4 Ų | 61.4 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | trans | -152.6 | 144.1 | 177.8 | -172.1 | 0 | 0 | 0 | 0 | 111.4 | S145 | S143-S145 VanDerWaalsContact C-N 3.3Å; S143-S145 WeakPolarHBondContact OG-CB 3.44Å; S143-S145 PolarHBondContact OG-N 3.23Å; S143-S145 VanDerWaalsContact OG-N 3.16Å; S143-S145 PolarHBondContact OG-OG 3.48Å | ||
| 144 | G | 95.9 | Very high | 97.7 | Very high | 31 Ų | 31 | 68.4 Ų | 68.4 | 32% | 0.32 | 39% | 0.387 | S | S | . | . | trans | -81 | -6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R147 | G144-R147 WeakPolarHBondContact O-CB 3.48Å; G144-R147 WeakPolarHBondContact O-CG 3.47Å; G144-R147 PolarHBondContact O-N 2.86Å | ||
| 145 | S | 96.9 | Very high | 97.8 | Very high | 87 Ų | 87 | 58.9 Ų | 58.9 | 61% | 0.608 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 135.7 | -177.9 | -66.7 | 0 | 0 | 0 | 0 | 112.1 | S143 R147 | S143-S145 VanDerWaalsContact C-N 3.3Å; S143-S145 WeakPolarHBondContact OG-CB 3.44Å; S143-S145 PolarHBondContact OG-N 3.23Å; S143-S145 VanDerWaalsContact OG-N 3.16Å; S143-S145 PolarHBondContact OG-OG 3.48Å; S145-R147 PolarHBondContact O-N 2.95Å |
| 146 | G | 97.1 | Very high | 97.9 | Very high | 55 Ų | 55 | 51.3 Ų | 51.3 | 57% | 0.567 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | -2.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | H85 | H85-G146 PolarHBondContact CE1-O 3.11Š|
| 147 | R | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -41.7 | -175.6 | -63.7 | -77.9 | -177.3 | 159.1 | 0.8 | 113.7 | W84 H85 H86 E105 I107 L139 T140 G144 S145 | W84-R147 WeakPolarHBondContact CA-O 3.16Å; W84-R147 HydrophobicContact CD2-CB 3.62Å; W84-R147 HydrophobicContact CE3-CB 4.13Å; W84-R147 HydrophobicContact CG-CB 4.14Å; W84-R147 HydrophobicContact CH2-CB 4Å; W84-R147 HydrophobicContact CH2-CG 3.85Å; W84-R147 HydrophobicContact CZ2-CB 3.43Å; W84-R147 VanDerWaalsContact CZ2-CB 3.43Å; W84-R147 HydrophobicContact CZ2-CG 3.57Å; W84-R147 HydrophobicContact CZ3-CB 4.3Å; W84-R147 HydrophobicContact CZ3-CG 4.39Å; H85-R147 PolarHBondContact N-O 2.86Å; H85-R147 VanDerWaalsContact N-O 3.09Å; H85-R147 PolarHBondContact ND1-O 2.87Å; H85-R147 VanDerWaalsContact O-CD 3.23Å; H85-R147 WeakPolarHBondContact O-CD 3.46Å; H85-R147 PolarHBondContact O-NH1 2.97Å; H86-R147 PolarHBondContact O-NH1 3.46Å; E105-R147 VanDerWaalsContact O-CZ 3.29Å; E105-R147 PolarHBondContact O-NH1 2.84Å; E105-R147 PolarHBondContact O-NH2 2.88Å; I107-R147 VanDerWaalsContact CD1-CZ 3.48Å; L139-R147 HydrophobicContact CD1-CG 4.47Å; L139-R147 PolarHBondContact O-NH2 2.9Å; T140-R147 PolarHBondContact O-NH2 2.97Å; G144-R147 WeakPolarHBondContact O-CB 3.48Å; G144-R147 WeakPolarHBondContact O-CG 3.47Å; G144-R147 PolarHBondContact O-N 2.86Å; S145-R147 PolarHBondContact O-N 2.95Å |
| 148 | G | 97.4 | Very high | 97.9 | Very high | 30 Ų | 30 | 61.5 Ų | 61.5 | 31% | 0.309 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -87.6 | 160 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | E83 W150 | E83-G148 CarbonylContact O-C 3.6Å; E83-G148 WeakPolarHBondContact O-CA 3.5Å; G148-W150 PolarHBondContact O-N 2.89Å |
| 149 | G | 97.1 | Very high | 98 | Very high | 60 Ų | 60 | 58.4 Ų | 58.4 | 62% | 0.619 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 70.7 | 15 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | F81 R82 E83 | F81-G149 PolarHBondContact O-N 3.22Å; R82-G149 WeakPolarHBondContact O-CA 3.44Å; E83-G149 PolarHBondContact O-N 3.19Å; E83-G149 VanDerWaalsContact O-N 3.15Å |
| 150 | W | 97.7 | Very high | 97.9 | Very high | 39 Ų | 39 | 62.4 Ų | 62.4 | 15% | 0.148 | 36% | 0.357 | C | S | . | . | trans | -87.9 | 166.6 | 178.8 | -167.8 | 88 | 0 | 0 | 0 | 110.3 | I67 E83 H85 L88 G148 A152 F155 | I67-W150 HydrophobicContact CD1-CH2 3.89Å; I67-W150 HydrophobicContact CG1-CH2 4.07Å; I67-W150 HydrophobicContact CG2-CH2 4.04Å; I67-W150 HydrophobicContact CG2-CZ3 3.84Å; E83-W150 WeakPolarHBondContact CB-O 3.23Å; E83-W150 PolarHBondContact N-O 3.16Å; E83-W150 PolarHBondContact O-N 3.23Å; H85-W150 HydrophobicContact CB-CD2 4.1Å; H85-W150 HydrophobicContact CB-CE3 3.67Å; H85-W150 HydrophobicContact CB-CZ3 4.08Å; H85-W150 AromaticContact CE1-CD1 3.91Å; H85-W150 AromaticContact CE1-CG 3.92Å; H85-W150 AromaticContact CG-CD2 3.92Å; H85-W150 WeakPolarHBondContact ND1-CB 3.32Å; H85-W150 AromaticContact ND1-CD1 3.88Å; H85-W150 AromaticContact ND1-CD2 3.76Å; H85-W150 AromaticContact ND1-CG 3.42Å; L88-W150 HydrophobicContact CD2-CZ2 4.17Å; G148-W150 PolarHBondContact O-N 2.89Å; W150-A152 HydrophobicContact CH2-CB 4.33Å; W150-A152 HydrophobicContact CZ3-CB 3.78Å; W150-F155 HydrophobicContact CH2-CB 3.74Å; W150-F155 HydrophobicContact CH2-CG 4.05Å; W150-F155 HydrophobicContact CZ2-CB 3.42Å; W150-F155 VanDerWaalsContact CZ2-CB 3.42Å; W150-F155 HydrophobicContact CZ2-CD1 4.39Å; W150-F155 AromaticContact CZ2-CD2 3.64Å; W150-F155 HydrophobicContact CZ2-CD2 3.64Å; W150-F155 AromaticContact CZ2-CG 3.56Å; W150-F155 HydrophobicContact CZ2-CG 3.56Å | ||
| 151 | S | 98.5 | Very high | 97.9 | Very high | 23 Ų | 23 | 59.9 Ų | 59.9 | 16% | 0.161 | 34% | 0.341 | C | S | . | . | trans | -148.4 | 122.9 | 177.4 | 176.4 | 0 | 0 | 0 | 0 | 112.7 | E83 S153 K154 F155 | E83-S151 WeakPolarHBondContact OE1-CA 3.43Å; S151-S153 VanDerWaalsContact C-N 3.31Å; S151-S153 PolarHBondContact O-N 2.86Å; S151-S153 PolarHBondContact OG-OG 3.25Å; S151-S153 VanDerWaalsContact OG-OG 3.08Å; S151-K154 PolarHBondContact O-N 3.17Å; S151-F155 PolarHBondContact O-N 3.33Å | ||
| 152 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V18 I67 E83 L123 W150 F155 A156 | V18-A152 HydrophobicContact CG1-CB 4.35Å; I67-A152 HydrophobicContact CD1-CB 4.32Å; I67-A152 HydrophobicContact CG2-CB 4.2Å; E83-A152 PolarHBondContact OE1-N 3.03Å; E83-A152 PolarHBondContact OE2-N 2.77Å; L123-A152 HydrophobicContact CD1-CB 3.73Å; W150-A152 HydrophobicContact CH2-CB 4.33Å; W150-A152 HydrophobicContact CZ3-CB 3.78Å; A152-F155 PolarHBondContact O-N 2.85Å; A152-A156 WeakPolarHBondContact O-CB 3.39Å; A152-A156 PolarHBondContact O-N 2.77Å |
| 153 | S | 98.3 | Very high | 98 | Very high | 58 Ų | 58 | 56.2 Ų | 56.2 | 41% | 0.406 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.7 | -37.5 | 179.7 | 63.1 | 0 | 0 | 0 | 0 | 112.8 | S151 A156 K157 | S151-S153 VanDerWaalsContact C-N 3.31Å; S151-S153 PolarHBondContact O-N 2.86Å; S151-S153 PolarHBondContact OG-OG 3.25Å; S151-S153 VanDerWaalsContact OG-OG 3.08Å; S153-A156 PolarHBondContact O-N 3.24Å; S153-K157 WeakPolarHBondContact O-CB 3.47Å; S153-K157 PolarHBondContact O-N 2.9Å |
| 154 | K | 98.4 | Very high | 98 | Very high | 158 Ų | 158 | 54.7 Ų | 54.7 | 69% | 0.687 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.6 | -40.6 | 173.8 | -69.3 | -176.6 | -178.1 | 173.2 | 0 | 111.6 | S151 K157 K158 | S151-K154 PolarHBondContact O-N 3.17Å; K154-K157 PolarHBondContact O-N 3.45Å; K154-K158 WeakPolarHBondContact O-CB 3.23Å; K154-K158 PolarHBondContact O-N 2.77Å |
| 155 | F | 98.7 | Very high | 98.1 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 4% | 0.044 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.2 | -46.8 | 174.9 | -174.2 | -89.3 | 0 | 0 | 0 | 111.6 | T65 I67 L88 V90 L103 I131 W150 S151 A152 K157 K158 H159 L161 | T65-F155 HydrophobicContact CG2-CE1 4.08Å; I67-F155 HydrophobicContact CD1-CD1 4.18Å; L88-F155 HydrophobicContact CD1-CE1 4.11Å; L88-F155 HydrophobicContact CD1-CZ 4.11Å; L88-F155 HydrophobicContact CD2-CE2 3.99Å; L88-F155 HydrophobicContact CD2-CZ 4.19Å; V90-F155 HydrophobicContact CG1-CE1 4.32Å; V90-F155 HydrophobicContact CG1-CZ 3.95Å; L103-F155 HydrophobicContact CD1-CZ 4.42Å; I131-F155 HydrophobicContact CD1-CE1 4.38Å; W150-F155 HydrophobicContact CH2-CB 3.74Å; W150-F155 HydrophobicContact CH2-CG 4.05Å; W150-F155 HydrophobicContact CZ2-CB 3.42Å; W150-F155 VanDerWaalsContact CZ2-CB 3.42Å; W150-F155 HydrophobicContact CZ2-CD1 4.39Å; W150-F155 AromaticContact CZ2-CD2 3.64Å; W150-F155 HydrophobicContact CZ2-CD2 3.64Å; W150-F155 AromaticContact CZ2-CG 3.56Å; W150-F155 HydrophobicContact CZ2-CG 3.56Å; S151-F155 PolarHBondContact O-N 3.33Å; A152-F155 PolarHBondContact O-N 2.85Å; F155-K157 VanDerWaalsContact C-N 3.29Å; F155-K157 PolarHBondContact O-N 3.19Å; F155-K158 PolarHBondContact O-N 3.4Å; F155-H159 AromaticContact CD1-CD2 3.91Å; F155-H159 AromaticContact CD2-CD2 3.77Å; F155-H159 AromaticContact CD2-NE2 3.96Å; F155-H159 AromaticContact CE1-CD2 3.58Å; F155-H159 AromaticContact CE2-CD2 3.45Å; F155-H159 VanDerWaalsContact CE2-CD2 3.45Å; F155-H159 WeakPolarHBondContact CE2-CD2 3.18Å; F155-H159 AromaticContact CE2-NE2 3.4Å; F155-H159 WeakPolarHBondContact CE2-NE2 3.17Å; F155-H159 AromaticContact CZ-CD2 3.34Å; F155-H159 WeakPolarHBondContact CZ-CD2 3.42Å; F155-H159 AromaticContact CZ-NE2 3.6Å; F155-H159 PolarHBondContact O-CD2 3.3Å; F155-H159 PolarHBondContact O-N 2.89Å; F155-H159 VanDerWaalsContact O-N 3.07Å; F155-L161 HydrophobicContact CD1-CD1 4.08Å; F155-L161 HydrophobicContact CE1-CD1 4.09Å |
| 156 | A | 98.7 | Very high | 98.2 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 4% | 0.041 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.6 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y125 A152 S153 N160 L161 | Y125-A156 HydrophobicContact CD1-CB 4.3Å; Y125-A156 HydrophobicContact CE1-CB 3.78Å; A152-A156 WeakPolarHBondContact O-CB 3.39Å; A152-A156 PolarHBondContact O-N 2.77Å; S153-A156 PolarHBondContact O-N 3.24Å; A156-N160 PolarHBondContact O-N 3.04Å; A156-L161 HydrophobicContact CB-CB 4.01Å; A156-L161 HydrophobicContact CB-CD1 4.35Å; A156-L161 HydrophobicContact CB-CG 4.48Å; A156-L161 PolarHBondContact O-N 3.06Å |
| 157 | K | 98.4 | Very high | 98.2 | Very high | 183 Ų | 183 | 48.8 Ų | 48.8 | 80% | 0.796 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -65.9 | -45.4 | 174.8 | -173 | 176.3 | -179.5 | 178.4 | 0 | 112.5 | S153 K154 F155 H159 N160 | S153-K157 WeakPolarHBondContact O-CB 3.47Å; S153-K157 PolarHBondContact O-N 2.9Å; K154-K157 PolarHBondContact O-N 3.45Å; F155-K157 VanDerWaalsContact C-N 3.29Å; F155-K157 PolarHBondContact O-N 3.19Å; K157-H159 PolarHBondContact O-N 3.27Å; K157-N160 PolarHBondContact O-N 3.09Å |
| 158 | K | 98.4 | Very high | 98.3 | Very high | 103 Ų | 103 | 48.8 Ų | 48.8 | 45% | 0.448 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56 | -39.8 | 178.6 | 176.9 | 179.2 | 171.3 | -178.1 | 0 | 111.6 | D133 E135 K154 F155 | D133-K158 IonicContact OD1-NZ 2.75Å; D133-K158 PolarHBondContact OD1-NZ 3.34Å; D133-K158 WeakPolarHBondContact OD2-CE 3.28Å; D133-K158 IonicContact OD2-NZ 3.67Å; D133-K158 PolarHBondContact OD2-NZ 2.94Å; E135-K158 IonicContact OE2-NZ 3.76Å; E135-K158 PolarHBondContact OE2-NZ 3.13Å; K154-K158 WeakPolarHBondContact O-CB 3.23Å; K154-K158 PolarHBondContact O-N 2.77Å; F155-K158 PolarHBondContact O-N 3.4Å |
| 159 | H | 98.6 | Very high | 98.4 | Very high | 36 Ų | 36 | 47.4 Ų | 47.4 | 17% | 0.167 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 13.3 | -175.4 | -64.6 | -67.6 | 0 | 0 | 0 | 114.5 | I131 D133 F155 K157 L161 | I131-H159 HydrophobicContact CD1-CB 3.95Å; I131-H159 HydrophobicContact CG1-CB 4.22Å; D133-H159 IonicContact OD2-CD2 3.44Å; D133-H159 IonicContact OD2-CE1 2.74Å; D133-H159 PolarHBondContact OD2-CE1 3.4Å; D133-H159 IonicContact OD2-NE2 2.94Å; D133-H159 PolarHBondContact OD2-NE2 2.65Å; F155-H159 AromaticContact CD1-CD2 3.91Å; F155-H159 AromaticContact CD2-CD2 3.77Å; F155-H159 AromaticContact CD2-NE2 3.96Å; F155-H159 AromaticContact CE1-CD2 3.58Å; F155-H159 AromaticContact CE2-CD2 3.45Å; F155-H159 VanDerWaalsContact CE2-CD2 3.45Å; F155-H159 WeakPolarHBondContact CE2-CD2 3.18Å; F155-H159 AromaticContact CE2-NE2 3.4Å; F155-H159 WeakPolarHBondContact CE2-NE2 3.17Å; F155-H159 AromaticContact CZ-CD2 3.34Å; F155-H159 WeakPolarHBondContact CZ-CD2 3.42Å; F155-H159 AromaticContact CZ-NE2 3.6Å; F155-H159 PolarHBondContact O-CD2 3.3Å; F155-H159 PolarHBondContact O-N 2.89Å; F155-H159 VanDerWaalsContact O-N 3.07Å; K157-H159 PolarHBondContact O-N 3.27Å; H159-L161 VanDerWaalsContact C-N 3.32Å; H159-L161 HydrophobicContact CB-CD1 4.47Å; H159-L161 HydrophobicContact CB-CD2 3.99Å; H159-L161 HydrophobicContact CB-CG 3.96Å; H159-L161 PolarHBondContact O-N 3.37Å |
| 160 | N | 98.1 | Very high | 98.4 | Very high | 118 Ų | 118 | 44.6 Ų | 44.6 | 63% | 0.631 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 46.6 | 179.1 | -167 | 39.2 | 0 | 0 | 0 | 113.7 | Q128 A156 K157 | Q128-N160 WeakPolarHBondContact CG-O 3.22Å; A156-N160 PolarHBondContact O-N 3.04Å; K157-N160 PolarHBondContact O-N 3.09Å |
| 161 | L | 98.4 | Very high | 98.5 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | trans | -82.5 | -16 | -175.8 | -59 | -171 | 0 | 0 | 0 | 113.9 | T65 Y125 Q127 I131 F155 A156 H159 | T65-L161 HydrophobicContact CG2-CD1 4.29Å; Y125-L161 HydrophobicContact CD1-CB 3.73Å; Y125-L161 HydrophobicContact CD1-CD1 4.49Å; Y125-L161 HydrophobicContact CD2-CD1 4.4Å; Y125-L161 HydrophobicContact CG-CB 3.99Å; Y125-L161 HydrophobicContact CG-CD1 4.03Å; Q127-L161 HydrophobicContact CB-CD2 4.38Å; Q127-L161 HydrophobicContact CG-CD2 3.95Å; I131-L161 HydrophobicContact CD1-CD2 4.07Å; F155-L161 HydrophobicContact CD1-CD1 4.08Å; F155-L161 HydrophobicContact CE1-CD1 4.09Å; A156-L161 HydrophobicContact CB-CB 4.01Å; A156-L161 HydrophobicContact CB-CD1 4.35Å; A156-L161 HydrophobicContact CB-CG 4.48Å; A156-L161 PolarHBondContact O-N 3.06Å; H159-L161 VanDerWaalsContact C-N 3.32Å; H159-L161 HydrophobicContact CB-CD1 4.47Å; H159-L161 HydrophobicContact CB-CD2 3.99Å; H159-L161 HydrophobicContact CB-CG 3.96Å; H159-L161 PolarHBondContact O-N 3.37Å | ||
| 162 | G | 98.1 | Very high | 98.5 | Very high | 54 Ų | 54 | 42.7 Ų | 42.7 | 56% | 0.557 | 23% | 0.225 | S | C | * | . | trans | 68.8 | -145.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y125 | Y125-G162 WeakPolarHBondContact CE1-O 3.43Š| ||
| 163 | D | 98.4 | Very high | 98.5 | Very high | 83 Ų | 83 | 47.7 Ų | 47.7 | 44% | 0.444 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -84.4 | 152.6 | 176.2 | -65.2 | -45.7 | 0 | 0 | 0 | 111.3 | K21 | K21-D163 HydrophobicContact CD-CB 4.31Å; K21-D163 VanDerWaalsContact CD-OD2 3.29Å; K21-D163 WeakPolarHBondContact CD-OD2 3.43Å; K21-D163 IonicContact NZ-OD2 3.65Å |
| 164 | P | 98.6 | Very high | 98.5 | Very high | 10 Ų | 10 | 49.2 Ų | 49.2 | 7% | 0.065 | 25% | 0.245 | C | C | . | . | trans | -62.7 | 139.6 | 174.4 | 28.2 | -35.5 | 0 | 0 | 0 | 110.7 | V19 P23 L123 V124 Y125 | V19-P164 HydrophobicContact CG1-CG 4.39Å; P23-P164 WeakPolarHBondContact CA-O 3.45Å; P23-P164 HydrophobicContact CB-CB 4.13Å; P23-P164 HydrophobicContact CB-CG 4.22Å; P23-P164 WeakPolarHBondContact CB-O 3.31Å; P23-P164 HydrophobicContact CG-CB 4.32Å; P23-P164 HydrophobicContact CG-CG 4.28Å; L123-P164 HydrophobicContact CD2-CB 4.19Å; L123-P164 HydrophobicContact CD2-CG 4.3Å; V124-P164 CarbonylContact O-C 3.59Å; V124-P164 VanDerWaalsContact O-CA 3.29Å; V124-P164 WeakPolarHBondContact O-CA 3.36Å; Y125-P164 HydrophobicContact CD1-CB 4.31Å; Y125-P164 HydrophobicContact CE1-CB 3.91Å; Y125-P164 HydrophobicContact CE1-CG 4.33Å; Y125-P164 VanDerWaalsContact CE1-N 3.28Å; Y125-P164 HydrophobicContact CE2-CB 4.24Å | ||
| 165 | V | 97.9 | Very high | 98.5 | Very high | 49 Ų | 49 | 42.5 Ų | 42.5 | 30% | 0.297 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -90.2 | -32.8 | 178.9 | -63.6 | 0 | 0 | 0 | 0 | 112.3 | Q25 V124 K126 | Q25-V165 WeakPolarHBondContact CB-O 3.3Å; Q25-V165 PolarHBondContact N-O 2.83Å; V124-V165 HydrophobicContact CB-CG2 4.36Å; V124-V165 HydrophobicContact CG1-CG2 3.97Å; V124-V165 WeakPolarHBondContact O-CG2 3.47Å; V124-V165 PolarHBondContact O-N 2.84Å; K126-V165 HydrophobicContact CB-CG1 4.06Å |
| 166 | A | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 155.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | P23 Q25 C27 W56 V124 | P23-A166 VanDerWaalsContact CB-C 3.43Å; P23-A166 VanDerWaalsContact CG-C 3.48Å; Q25-A166 HydrophobicContact CB-CB 4.04Å; Q25-A166 CarbonylContact O-C 3.55Å; Q25-A166 WeakPolarHBondContact O-CA 3.48Å; C27-A166 HydrophobicContact CB-CB 4.2Å; W56-A166 HydrophobicContact CB-CB 3.81Å; W56-A166 HydrophobicContact CG-CB 4.5Å; V124-A166 HydrophobicContact CB-CB 4.06Å; V124-A166 HydrophobicContact CG2-CB 4.32Å; V124-A166 PolarHBondContact N-O 2.89Å; V124-A166 PolarHBondContact O-N 3.09Å |
| 167 | G | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 169.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P23 Q25 L26 C27 F122 | P23-G167 VanDerWaalsContact CG-N 3.33Å; Q25-G167 PolarHBondContact O-N 3.13Å; L26-G167 WeakPolarHBondContact CA-O 3.3Å; C27-G167 PolarHBondContact N-O 2.95Å; F122-G167 WeakPolarHBondContact O-CA 3.24Å |
| 168 | N | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 171.1 | 177.4 | -159.9 | -12.3 | 0 | 0 | 0 | 108.7 | L26 C27 A37 L39 F122 | L26-N168 HydrophobicContact CD1-CB 4.14Å; C27-N168 HydrophobicContact CB-CB 4.43Å; C27-N168 WeakPolarHBondContact O-CB 3.42Å; C27-N168 PolarHBondContact O-ND2 2.89Å; A37-N168 PolarHBondContact O-ND2 3.31Å; A37-N168 PolarHBondContact O-OD1 2.66Å; L39-N168 PolarHBondContact N-OD1 2.85Å; F122-N168 HydrophobicContact CB-CB 4.19Å; F122-N168 HydrophobicContact CD2-CB 4.4Å; F122-N168 PolarHBondContact N-O 2.78Å; F122-N168 PolarHBondContact O-N 3.31Å; F122-N168 VanDerWaalsContact O-N 3.13Å |
| 169 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 157.9 | 167.8 | 71.2 | 152 | 0 | 0 | 0 | 111.2 | F9 H12 V14 L39 G40 Y120 V121 | F9-L169 HydrophobicContact CD2-CD2 4.01Å; F9-L169 HydrophobicContact CE2-CD2 3.95Å; H12-L169 HydrophobicContact CB-CD1 3.62Å; V14-L169 HydrophobicContact CG2-CD1 3.93Å; L39-L169 CarbonylContact C-O 3.52Å; L39-L169 WeakPolarHBondContact CA-O 3.29Å; L39-L169 HydrophobicContact CB-CD2 4.49Å; L39-L169 HydrophobicContact CD2-CD2 4.37Å; L39-L169 PolarHBondContact N-O 3.11Å; G40-L169 PolarHBondContact N-O 3.06Å; Y120-L169 WeakPolarHBondContact O-CA 3.45Å; Y120-L169 WeakPolarHBondContact O-CB 3.29Å; V121-L169 HydrophobicContact CG2-CB 4.44Å |
| 170 | Y | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 171.5 | 158.3 | 66.9 | -89.2 | 0 | 0 | 0 | 108.9 | F31 A37 N41 L43 V48 A109 Y120 F122 A172 | F31-Y170 HydrophobicContact CE2-CD1 4.49Å; F31-Y170 HydrophobicContact CE2-CE1 4.37Å; F31-Y170 HydrophobicContact CZ-CD1 4.38Å; F31-Y170 AromaticContact CZ-CE1 3.83Å; F31-Y170 HydrophobicContact CZ-CE1 3.83Å; A37-Y170 HydrophobicContact CB-CD1 3.96Å; N41-Y170 WeakPolarHBondContact O-CA 3.33Å; L43-Y170 HydrophobicContact CB-CD2 3.96Å; L43-Y170 HydrophobicContact CB-CG 4.5Å; L43-Y170 HydrophobicContact CD1-CD1 4.22Å; L43-Y170 HydrophobicContact CD1-CD2 4.01Å; L43-Y170 HydrophobicContact CD1-CG 3.77Å; L43-Y170 HydrophobicContact CG-CD2 4.18Å; L43-Y170 HydrophobicContact CG-CG 4.22Å; V48-Y170 HydrophobicContact CG1-CE2 4.19Å; V48-Y170 HydrophobicContact CG2-CE2 4.08Å; A109-Y170 HydrophobicContact CB-CE2 4.37Å; Y120-Y170 VanDerWaalsContact CB-CE1 3.5Å; Y120-Y170 HydrophobicContact CD1-CE2 4.47Å; Y120-Y170 HydrophobicContact CD2-CD2 4.02Å; Y120-Y170 AromaticContact CD2-CE2 3.46Å; Y120-Y170 HydrophobicContact CD2-CE2 3.46Å; Y120-Y170 VanDerWaalsContact CD2-CE2 3.46Å; Y120-Y170 AromaticContact CD2-CZ 3.9Å; Y120-Y170 HydrophobicContact CE2-CE2 4.25Å; Y120-Y170 HydrophobicContact CG-CD2 4.35Å; Y120-Y170 HydrophobicContact CG-CE1 4.18Å; Y120-Y170 AromaticContact CG-CE2 3.62Å; Y120-Y170 HydrophobicContact CG-CE2 3.62Å; Y120-Y170 AromaticContact CG-CZ 3.51Å; Y120-Y170 PolarHBondContact N-O 3.26Å; Y120-Y170 PolarHBondContact O-N 2.89Å; Y120-Y170 VanDerWaalsContact O-N 3.16Å; F122-Y170 AromaticContact CE2-CD1 3.78Å; F122-Y170 HydrophobicContact CE2-CD1 3.78Å; F122-Y170 AromaticContact CE2-CE1 3.68Å; F122-Y170 HydrophobicContact CE2-CE1 3.68Å; F122-Y170 HydrophobicContact CZ-CE1 4.11Å; Y170-A172 HydrophobicContact CD2-CB 4.3Å; Y170-A172 HydrophobicContact CE2-CB 4Å |
| 171 | Q | 98.9 | Very high | 98.4 | Very high | 23 Ų | 23 | 36.5 Ų | 36.5 | 11% | 0.107 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 146.4 | 170.6 | -63 | 177.2 | 102.4 | 0 | 0 | 110.1 | H12 G40 N41 V42 L43 L117 H118 R119 | H12-Q171 PolarHBondContact CE1-NE2 2.78Å; G40-Q171 PolarHBondContact O-NE2 3.17Å; N41-Q171 PolarHBondContact O-N 3.23Å; V42-Q171 CarbonylContact C-O 3.58Å; V42-Q171 WeakPolarHBondContact CA-O 3.45Å; V42-Q171 HydrophobicContact CG2-CB 4.4Å; L43-Q171 PolarHBondContact N-O 2.86Å; L117-Q171 HydrophobicContact CB-CB 4.31Å; L117-Q171 HydrophobicContact CD2-CB 4.08Å; H118-Q171 CarbonylContact O-C 3.59Å; H118-Q171 WeakPolarHBondContact O-CA 3.44Å; R119-Q171 HydrophobicContact CG-CG 4.23Å |
| 172 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 148.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L43 A109 L117 H118 Y120 Y170 | L43-A172 WeakPolarHBondContact O-CA 3.28Å; L43-A172 VanDerWaalsContact O-CB 3.3Å; L43-A172 WeakPolarHBondContact O-CB 3.4Å; A109-A172 HydrophobicContact CB-CB 3.99Å; L117-A172 WeakPolarHBondContact CA-O 3.08Å; H118-A172 PolarHBondContact N-O 3.47Å; H118-A172 PolarHBondContact O-N 2.82Å; Y120-A172 HydrophobicContact CD2-CB 4.17Å; Y120-A172 HydrophobicContact CE2-CB 3.73Å; Y170-A172 HydrophobicContact CD2-CB 4.3Å; Y170-A172 HydrophobicContact CE2-CB 4Å |
| 173 | Q | 98.7 | Very high | 98.4 | Very high | 105 Ų | 105 | 43.7 Ų | 43.7 | 49% | 0.491 | 21% | 0.211 | S | C | . | . | trans | -125.7 | 170.8 | 171.4 | 64.9 | 179.7 | 23.7 | 0 | 0 | 109.2 | P45 G116 L117 | P45-Q173 WeakPolarHBondContact CD-O 3.28Å; P45-Q173 VanDerWaalsContact CG-O 3.26Å; P45-Q173 WeakPolarHBondContact CG-O 3.39Å; G116-Q173 VanDerWaalsContact O-CB 3.24Å; G116-Q173 WeakPolarHBondContact O-CB 3.41Å; L117-Q173 HydrophobicContact CD2-CB 3.91Å; L117-Q173 HydrophobicContact CD2-CG 4.09Å; L117-Q173 HydrophobicContact CG-CB 4.46Å | ||
| 174 | W | 98.7 | Very high | 98.3 | Very high | 90 Ų | 90 | 42.3 Ų | 42.3 | 34% | 0.341 | 20% | 0.201 | S | C | . | . | trans | -51.1 | 140.2 | -175.5 | -177.9 | 89.1 | 0 | 0 | 0 | 113.3 | K113 P179 | K113-W174 HydrophobicContact CB-CB 4.41Å; K113-W174 HydrophobicContact CB-CD2 4.11Å; K113-W174 HydrophobicContact CB-CG 3.8Å; K113-W174 HydrophobicContact CD-CD2 4.28Å; K113-W174 HydrophobicContact CD-CZ2 4.36Å; K113-W174 HydrophobicContact CG-CD2 3.97Å; K113-W174 HydrophobicContact CG-CE3 4.37Å; K113-W174 HydrophobicContact CG-CG 4.07Å; W174-P179 HydrophobicContact CZ2-CG 4.42Å | ||
| 175 | D | 98.6 | Very high | 98.2 | Very high | 16 Ų | 16 | 43.3 Ų | 43.3 | 9% | 0.086 | 21% | 0.206 | C | C | . | . | trans | -138.8 | -175.3 | 162.4 | 76.7 | 3.4 | 0 | 0 | 0 | 110.4 | P45 T46 Y177 V178 | P45-D175 VanDerWaalsContact CB-OD1 3.32Å; P45-D175 WeakPolarHBondContact CB-OD1 3.33Å; P45-D175 WeakPolarHBondContact CD-OD2 3.26Å; P45-D175 HydrophobicContact CG-CB 4.44Å; T46-D175 VanDerWaalsContact CB-OD2 3.28Å; T46-D175 WeakPolarHBondContact CB-OD2 3.32Å; T46-D175 PolarHBondContact N-OD2 3.04Å; T46-D175 PolarHBondContact OG1-OD2 2.66Å; D175-Y177 VanDerWaalsContact C-N 3.26Å; D175-Y177 PolarHBondContact O-N 3.28Å; D175-Y177 WeakPolarHBondContact OD1-CB 3.13Å; D175-Y177 PolarHBondContact OD1-N 2.98Å; D175-V178 PolarHBondContact O-N 3.27Å | ||
| 176 | D | 98 | Very high | 97.8 | Very high | 111 Ų | 111 | 44.5 Ų | 44.5 | 59% | 0.594 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -4.1 | -177 | 65.2 | -30.5 | 0 | 0 | 0 | 115.1 | ||
| 177 | Y | 98.4 | Very high | 96.4 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 13% | 0.129 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -29.9 | 169 | 169.6 | -108.7 | 0 | 0 | 0 | 112.2 | P45 T46 K49 D175 K180 L181 | P45-Y177 HydrophobicContact CB-CD1 4.05Å; T46-Y177 VanDerWaalsContact OG1-CB 3.27Å; T46-Y177 WeakPolarHBondContact OG1-CB 3.36Å; K49-Y177 HydrophobicContact CB-CD1 4.14Å; K49-Y177 HydrophobicContact CB-CE1 3.53Å; K49-Y177 HydrophobicContact CB-CE2 4.14Å; K49-Y177 HydrophobicContact CD-CE2 4.48Å; D175-Y177 VanDerWaalsContact C-N 3.26Å; D175-Y177 PolarHBondContact O-N 3.28Å; D175-Y177 WeakPolarHBondContact OD1-CB 3.13Å; D175-Y177 PolarHBondContact OD1-N 2.98Å; Y177-K180 HydrophobicContact CD2-CB 4.2Å; Y177-K180 HydrophobicContact CD2-CD 4.33Å; Y177-K180 HydrophobicContact CE2-CB 4.34Å; Y177-K180 WeakPolarHBondContact O-CA 3.47Å; Y177-K180 WeakPolarHBondContact O-CB 3.38Å; Y177-K180 PolarHBondContact O-N 3.04Å; Y177-L181 HydrophobicContact CE1-CB 4Å; Y177-L181 HydrophobicContact CE1-CD2 4.41Å; Y177-L181 PolarHBondContact O-N 3.16Å; Y177-L181 VanDerWaalsContact O-N 3.11Å |
| 178 | V | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -53.9 | -42.4 | -174.5 | 178.4 | 0 | 0 | 0 | 0 | 113.7 | P45 D175 K180 L181 Y182 | P45-V178 HydrophobicContact CB-CG2 3.88Å; P45-V178 HydrophobicContact CG-CG2 3.76Å; D175-V178 PolarHBondContact O-N 3.27Å; V178-K180 VanDerWaalsContact C-N 3.3Å; V178-K180 PolarHBondContact O-N 3.1Å; V178-L181 WeakPolarHBondContact O-CB 3.33Å; V178-L181 PolarHBondContact O-N 3.32Å; V178-L181 VanDerWaalsContact O-N 3.1Å; V178-Y182 HydrophobicContact CG1-CD1 4.23Å; V178-Y182 HydrophobicContact CG1-CD2 4.45Å; V178-Y182 HydrophobicContact CG1-CE1 3.61Å; V178-Y182 HydrophobicContact CG1-CE2 3.87Å; V178-Y182 PolarHBondContact O-N 3.05Å |
| 179 | P | 98.1 | Very high | 96.1 | Very high | 57 Ų | 57 | 54.5 Ų | 54.5 | 37% | 0.37 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.8 | -38.5 | 174.8 | -25.4 | 36 | 0 | 0 | 0 | 113.6 | W174 L181 Y182 E183 | W174-P179 HydrophobicContact CZ2-CG 4.42Å; P179-L181 VanDerWaalsContact C-N 3.3Å; P179-L181 PolarHBondContact O-N 3.11Å; P179-Y182 PolarHBondContact O-N 3.36Å; P179-Y182 VanDerWaalsContact O-N 3.16Å; P179-E183 PolarHBondContact O-N 3.22Å |
| 180 | K | 98.1 | Very high | 96 | Very high | 126 Ų | 126 | 57.5 Ų | 57.5 | 55% | 0.548 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.8 | -34.4 | 176.4 | -57.7 | 173.7 | -177.2 | 168.9 | 0 | 111.4 | Y177 V178 E183 Q184 | Y177-K180 HydrophobicContact CD2-CB 4.2Å; Y177-K180 HydrophobicContact CD2-CD 4.33Å; Y177-K180 HydrophobicContact CE2-CB 4.34Å; Y177-K180 WeakPolarHBondContact O-CA 3.47Å; Y177-K180 WeakPolarHBondContact O-CB 3.38Å; Y177-K180 PolarHBondContact O-N 3.04Å; V178-K180 VanDerWaalsContact C-N 3.3Å; V178-K180 PolarHBondContact O-N 3.1Å; K180-E183 PolarHBondContact O-N 3Å; K180-Q184 PolarHBondContact O-N 3.1Å |
| 181 | L | 97.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 172.8 | -179.2 | 60.7 | 0 | 0 | 0 | 111.2 | I107 Y177 V178 P179 Q184 L185 | I107-L181 HydrophobicContact CG2-CD1 4.02Å; I107-L181 HydrophobicContact CG2-CD2 4.2Å; Y177-L181 HydrophobicContact CE1-CB 4Å; Y177-L181 HydrophobicContact CE1-CD2 4.41Å; Y177-L181 PolarHBondContact O-N 3.16Å; Y177-L181 VanDerWaalsContact O-N 3.11Å; V178-L181 WeakPolarHBondContact O-CB 3.33Å; V178-L181 PolarHBondContact O-N 3.32Å; V178-L181 VanDerWaalsContact O-N 3.1Å; P179-L181 VanDerWaalsContact C-N 3.3Å; P179-L181 PolarHBondContact O-N 3.11Å; L181-Q184 WeakPolarHBondContact O-CB 3.47Å; L181-Q184 PolarHBondContact O-N 3.15Å; L181-Q184 VanDerWaalsContact O-N 3.15Å; L181-L185 HydrophobicContact CD1-CG 4.42Å; L181-L185 HydrophobicContact CG-CD1 4.35Å; L181-L185 WeakPolarHBondContact O-CG 3.36Å; L181-L185 PolarHBondContact O-N 3.5Å; L181-L185 VanDerWaalsContact O-N 3.11Å |
| 182 | Y | 97.5 | Very high | 95.6 | Very high | 70 Ų | 70 | 63.2 Ų | 63.2 | 28% | 0.275 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 176.4 | -64.7 | -8.4 | 0 | 0 | 0 | 111.8 | G110 P112 V178 P179 Q184 L185 G186 G187 | G110-Y182 PolarHBondContact O-OH 3.34Å; P112-Y182 VanDerWaalsContact CA-OH 3.28Å; P112-Y182 WeakPolarHBondContact CA-OH 3.33Å; P112-Y182 WeakPolarHBondContact CG-OH 3.21Å; V178-Y182 HydrophobicContact CG1-CD1 4.23Å; V178-Y182 HydrophobicContact CG1-CD2 4.45Å; V178-Y182 HydrophobicContact CG1-CE1 3.61Å; V178-Y182 HydrophobicContact CG1-CE2 3.87Å; V178-Y182 PolarHBondContact O-N 3.05Å; P179-Y182 PolarHBondContact O-N 3.36Å; P179-Y182 VanDerWaalsContact O-N 3.16Å; Y182-Q184 VanDerWaalsContact C-N 3.31Å; Y182-Q184 PolarHBondContact O-N 3.45Å; Y182-L185 CarbonylContact O-C 3.54Å; Y182-L185 PolarHBondContact O-N 3.11Å; Y182-G186 PolarHBondContact O-N 2.93Å; Y182-G186 VanDerWaalsContact O-N 3.1Å; Y182-G187 CarbonylContact O-C 3.59Å; Y182-G187 PolarHBondContact O-N 3.31Å |
| 183 | E | 97.3 | Very high | 95.4 | Very high | 142 Ų | 142 | 67.4 Ų | 67.4 | 66% | 0.664 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -56.6 | -42.7 | 169.9 | -68.7 | 171.9 | -170.4 | 0 | 0 | 112.1 | P179 K180 L185 G186 | P179-E183 PolarHBondContact O-N 3.22Å; K180-E183 PolarHBondContact O-N 3Å; E183-L185 VanDerWaalsContact C-N 3.25Å; E183-L185 PolarHBondContact O-N 3.3Å; E183-G186 PolarHBondContact O-N 2.9Å |
| 184 | Q | 96.2 | Very high | 95.1 | Very high | 53 Ų | 53 | 64.7 Ų | 64.7 | 25% | 0.248 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.9 | -35 | 175.8 | 176.3 | -174.2 | -47.6 | 0 | 0 | 112.7 | N141 R142 K180 L181 Y182 | N141-Q184 PolarHBondContact O-NE2 2.87Å; R142-Q184 WeakPolarHBondContact CA-O 3.34Å; R142-Q184 PolarHBondContact NE-O 3.06Å; K180-Q184 PolarHBondContact O-N 3.1Å; L181-Q184 WeakPolarHBondContact O-CB 3.47Å; L181-Q184 PolarHBondContact O-N 3.15Å; L181-Q184 VanDerWaalsContact O-N 3.15Å; Y182-Q184 VanDerWaalsContact C-N 3.31Å; Y182-Q184 PolarHBondContact O-N 3.45Å |
| 185 | L | 96.3 | Very high | 94.9 | Very high | 31 Ų | 31 | 62.8 Ų | 62.8 | 16% | 0.162 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -89.7 | -0.5 | -177.2 | -59.4 | -178.6 | 0 | 0 | 0 | 114.1 | W84 I107 N141 L181 Y182 E183 | W84-L185 HydrophobicContact CZ2-CD1 4.47Å; I107-L185 HydrophobicContact CD1-CD2 3.6Å; I107-L185 HydrophobicContact CG1-CD2 4.2Å; I107-L185 HydrophobicContact CG2-CD1 4.38Å; N141-L185 VanDerWaalsContact O-CD2 3.29Å; N141-L185 WeakPolarHBondContact O-CD2 3.27Å; L181-L185 HydrophobicContact CD1-CG 4.42Å; L181-L185 HydrophobicContact CG-CD1 4.35Å; L181-L185 WeakPolarHBondContact O-CG 3.36Å; L181-L185 PolarHBondContact O-N 3.5Å; L181-L185 VanDerWaalsContact O-N 3.11Å; Y182-L185 CarbonylContact O-C 3.54Å; Y182-L185 PolarHBondContact O-N 3.11Å; E183-L185 VanDerWaalsContact C-N 3.25Å; E183-L185 PolarHBondContact O-N 3.3Å |
| 186 | G | 91.5 | Very high | 94.6 | Very high | 74 Ų | 74 | 66.7 Ų | 66.7 | 76% | 0.763 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.5 | 12 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y182 E183 | Y182-G186 PolarHBondContact O-N 2.93Å; Y182-G186 VanDerWaalsContact O-N 3.1Å; E183-G186 PolarHBondContact O-N 2.9Å |
| 187 | G | 67.2 | Low | 94.2 | Very high | 101 Ų | 101 | 62.6 Ų | 62.6 | 100% | 1.041 | 38% | 0.383 | S | S | * | . | trans | 157.5 | 0 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y182 | Y182-G187 CarbonylContact O-C 3.59Å; Y182-G187 PolarHBondContact O-N 3.31Å |
Retrieved 187 of 187 residues in 59.3 ms
(Link to these results)