| 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 | 61.5 | Low | 84.7 | Confident | 126 Ų | 126 | 61.9 Ų | 61.9 | 62% | 0.621 | 36% | 0.357 | S | S | * | . | 0 | 147.4 | 0 | -53 | 170.8 | -162.6 | 0 | 0 | 108.2 | V9 Y10 F22 | M1-V9 WeakPolarHBondContact CA-O 3.41Å; M1-V9 VanDerWaalsContact CB-O 3.3Å; M1-V9 WeakPolarHBondContact CB-O 3.39Å; M1-Y10 HydrophobicContact CE-CD2 3.39Å; M1-Y10 HydrophobicContact CE-CE2 3.3Å; M1-Y10 HydrophobicContact CG-CD2 4.02Å; M1-Y10 HydrophobicContact SD-CD2 3.63Å; M1-Y10 HydrophobicContact SD-CE2 4.17Å; M1-F22 HydrophobicContact CB-CD1 4.27Å; M1-F22 HydrophobicContact CB-CE1 3.6Å; M1-F22 HydrophobicContact CB-CZ 4.48Å; M1-F22 HydrophobicContact CG-CE1 4.36Å; M1-F22 HydrophobicContact SD-CD1 3.53Å; M1-F22 VanDerWaalsContact SD-CD1 3.53Å; M1-F22 HydrophobicContact SD-CE1 3.85Å | |||
| 2 | A | 63.3 | Low | 85.6 | Confident | 56 Ų | 56 | 61.9 Ų | 61.9 | 46% | 0.463 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 158.2 | -179 | 0 | 0 | 0 | 0 | 0 | 110.5 | V9 | A2-V9 HydrophobicContact CB-CB 4.48Å; A2-V9 PolarHBondContact N-O 2.71Å; A2-V9 PolarHBondContact O-N 3.17Å |
| 3 | N | 70 | Confident | 86.5 | Confident | 107 Ų | 107 | 58.9 Ų | 58.9 | 57% | 0.572 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 131 | 173.2 | -80.6 | -23.4 | 0 | 0 | 0 | 109.5 | K17 | N3-K17 VanDerWaalsContact OD1-CE 3.28Å; N3-K17 WeakPolarHBondContact OD1-CE 3.47Å |
| 4 | D | 72.7 | Confident | 87.3 | Confident | 99 Ų | 99 | 56.8 Ų | 56.8 | 53% | 0.529 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 106.6 | 174.4 | -173.2 | 6.5 | 0 | 0 | 0 | 110.2 | N6 Y7 V9 | D4-N6 PolarHBondContact O-N 3.31Å; D4-N6 VanDerWaalsContact O-N 3.07Å; D4-Y7 PolarHBondContact N-O 3.35Å; D4-Y7 WeakPolarHBondContact O-CA 3.18Å; D4-Y7 PolarHBondContact O-N 3.04Å; D4-V9 HydrophobicContact CB-CG2 4.14Å |
| 5 | G | 87.4 | Confident | 88 | Confident | 53 Ų | 53 | 53 Ų | 53 | 55% | 0.546 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | -117.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y7 K17 | G5-Y7 VanDerWaalsContact C-N 3.31Å; G5-Y7 PolarHBondContact O-N 3.43Å; G5-K17 PolarHBondContact O-NZ 3.17Å |
| 6 | N | 93.6 | Very high | 88.5 | Confident | 62 Ų | 62 | 50.1 Ų | 50.1 | 33% | 0.332 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -2.6 | 179.2 | -70 | -38.5 | 0 | 0 | 0 | 114.9 | D4 K17 F140 D142 | D4-N6 PolarHBondContact O-N 3.31Å; D4-N6 VanDerWaalsContact O-N 3.07Å; N6-K17 WeakPolarHBondContact O-CB 3.21Å; N6-K17 PolarHBondContact O-N 2.8Å; N6-F140 WeakPolarHBondContact CB-O 3.45Å; N6-D142 PolarHBondContact ND2-OD1 2.9Å |
| 7 | Y | 96.6 | Very high | 89 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 4% | 0.039 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 148.5 | -170.7 | -51.3 | -69.5 | 0 | 0 | 0 | 114 | D4 G5 L14 C15 K17 L141 D142 L160 | D4-Y7 PolarHBondContact N-O 3.35Å; D4-Y7 WeakPolarHBondContact O-CA 3.18Å; D4-Y7 PolarHBondContact O-N 3.04Å; G5-Y7 VanDerWaalsContact C-N 3.31Å; G5-Y7 PolarHBondContact O-N 3.43Å; Y7-L14 HydrophobicContact CD1-CB 4.17Å; Y7-L14 HydrophobicContact CD2-CD1 4.4Å; Y7-L14 HydrophobicContact CD2-CD2 4.29Å; Y7-L14 HydrophobicContact CG-CB 4.07Å; Y7-L14 HydrophobicContact CG-CD2 4.28Å; Y7-C15 CarbonylContact C-O 3.59Å; Y7-C15 VanDerWaalsContact CA-O 3.27Å; Y7-C15 WeakPolarHBondContact CA-O 3.45Å; Y7-K17 WeakPolarHBondContact O-CE 3.35Å; Y7-L141 HydrophobicContact CE1-CD2 3.81Å; Y7-D142 HydrophobicContact CE2-CB 4.3Å; Y7-D142 WeakPolarHBondContact CE2-OD2 3.28Å; Y7-D142 PolarHBondContact OH-N 2.87Å; Y7-L160 HydrophobicContact CD1-CD2 4.01Å; Y7-L160 HydrophobicContact CE1-CD2 3.5Å |
| 8 | I | 97 | Very high | 89.3 | Confident | 7 Ų | 7 | 54.9 Ų | 54.9 | 4% | 0.036 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 128 | 157.5 | -54.3 | -178.5 | 0 | 0 | 0 | 107.2 | Y10 C15 K17 H20 F22 F25 | I8-Y10 PolarHBondContact O-N 2.85Å; I8-C15 PolarHBondContact N-O 2.8Å; I8-C15 PolarHBondContact O-N 2.86Å; I8-K17 HydrophobicContact CD1-CG 4.28Å; I8-K17 HydrophobicContact CG1-CG 3.55Å; I8-H20 WeakPolarHBondContact CD1-O 3.27Å; I8-F22 HydrophobicContact CG2-CD1 4.12Å; I8-F22 HydrophobicContact CG2-CE1 3.43Å; I8-F22 VanDerWaalsContact CG2-CE1 3.43Å; I8-F22 HydrophobicContact CG2-CZ 4.06Å; I8-F25 HydrophobicContact CB-CE2 4.2Å; I8-F25 HydrophobicContact CD1-CE2 4.24Å; I8-F25 HydrophobicContact CG2-CE2 3.87Å |
| 9 | V | 96.9 | Very high | 89.7 | Confident | 36 Ų | 36 | 54 Ų | 54 | 22% | 0.218 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 104.5 | 172.5 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | M1 A2 D4 L13 L14 | M1-V9 WeakPolarHBondContact CA-O 3.41Å; M1-V9 VanDerWaalsContact CB-O 3.3Å; M1-V9 WeakPolarHBondContact CB-O 3.39Å; A2-V9 HydrophobicContact CB-CB 4.48Å; A2-V9 PolarHBondContact N-O 2.71Å; A2-V9 PolarHBondContact O-N 3.17Å; D4-V9 HydrophobicContact CB-CG2 4.14Å; V9-L13 WeakPolarHBondContact CA-O 2.87Å; V9-L14 HydrophobicContact CG2-CD2 4.08Å |
| 10 | Y | 96.6 | Very high | 90.1 | Very high | 8 Ų | 8 | 51.6 Ų | 51.6 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 114.8 | -180 | 177.9 | -101.9 | 0 | 0 | 0 | 109.8 | M1 I8 G12 L13 F25 E29 M101 L105 | M1-Y10 HydrophobicContact CE-CD2 3.39Å; M1-Y10 HydrophobicContact CE-CE2 3.3Å; M1-Y10 HydrophobicContact CG-CD2 4.02Å; M1-Y10 HydrophobicContact SD-CD2 3.63Å; M1-Y10 HydrophobicContact SD-CE2 4.17Å; I8-Y10 PolarHBondContact O-N 2.85Å; Y10-G12 PolarHBondContact O-N 2.96Å; Y10-G12 VanDerWaalsContact O-N 3.08Å; Y10-L13 PolarHBondContact N-O 3.48Å; Y10-L13 VanDerWaalsContact O-CB 3.28Å; Y10-L13 WeakPolarHBondContact O-CB 3.3Å; Y10-L13 PolarHBondContact O-N 3.28Å; Y10-F25 HydrophobicContact CD1-CD1 4.08Å; Y10-F25 HydrophobicContact CD1-CE1 4.11Å; Y10-F25 HydrophobicContact CD2-CB 4.04Å; Y10-F25 AromaticContact CD2-CD1 3.98Å; Y10-F25 HydrophobicContact CD2-CD1 3.98Å; Y10-F25 AromaticContact CD2-CD2 3.8Å; Y10-F25 HydrophobicContact CD2-CD2 3.8Å; Y10-F25 HydrophobicContact CD2-CE1 4.42Å; Y10-F25 HydrophobicContact CD2-CE2 4.26Å; Y10-F25 AromaticContact CD2-CG 3.67Å; Y10-F25 HydrophobicContact CD2-CG 3.67Å; Y10-F25 HydrophobicContact CE1-CD1 4.2Å; Y10-F25 HydrophobicContact CE2-CB 3.72Å; Y10-F25 HydrophobicContact CE2-CD1 4.13Å; Y10-F25 HydrophobicContact CE2-CD2 4.37Å; Y10-F25 AromaticContact CE2-CG 3.83Å; Y10-F25 HydrophobicContact CE2-CG 3.83Å; Y10-F25 AromaticContact CG-CD1 3.97Å; Y10-F25 HydrophobicContact CG-CD1 3.97Å; Y10-F25 HydrophobicContact CG-CD2 4.2Å; Y10-F25 HydrophobicContact CG-CE1 4Å; Y10-F25 HydrophobicContact CG-CE2 4.24Å; Y10-F25 HydrophobicContact CG-CG 4.09Å; Y10-F25 HydrophobicContact CG-CZ 4.14Å; Y10-E29 PolarHBondContact OH-OE1 3.47Å; Y10-M101 HydrophobicContact CD1-CE 3.82Å; Y10-M101 HydrophobicContact CD1-SD 4.3Å; Y10-M101 HydrophobicContact CE1-CE 3.82Å; Y10-M101 HydrophobicContact CE1-SD 4.13Å; Y10-L105 HydrophobicContact CD1-CD1 4.39Å; Y10-L105 HydrophobicContact CE1-CD1 4.08Å |
| 11 | H | 95.7 | Very high | 90.5 | Very high | 117 Ų | 117 | 50.3 Ų | 50.3 | 54% | 0.542 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 34 | -173.4 | -69.4 | -95.7 | 0 | 0 | 0 | 114.6 | L13 L105 | H11-L13 VanDerWaalsContact C-N 3.3Å; H11-L105 HydrophobicContact CB-CD1 3.78Å; H11-L105 HydrophobicContact CB-CD2 4Å |
| 12 | G | 95.5 | Very high | 92.1 | Very high | 62 Ų | 62 | 48.4 Ų | 48.4 | 64% | 0.639 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | -0.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y10 | Y10-G12 PolarHBondContact O-N 2.96Å; Y10-G12 VanDerWaalsContact O-N 3.08Å |
| 13 | L | 97.4 | Very high | 93.7 | Very high | 23 Ų | 23 | 52.2 Ų | 52.2 | 12% | 0.12 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 140.5 | 176.3 | -52.4 | 179.9 | 0 | 0 | 0 | 110.9 | V9 Y10 H11 M101 P102 L105 | V9-L13 WeakPolarHBondContact CA-O 2.87Å; Y10-L13 PolarHBondContact N-O 3.48Å; Y10-L13 VanDerWaalsContact O-CB 3.28Å; Y10-L13 WeakPolarHBondContact O-CB 3.3Å; Y10-L13 PolarHBondContact O-N 3.28Å; H11-L13 VanDerWaalsContact C-N 3.3Å; L13-M101 HydrophobicContact CD1-SD 4.49Å; L13-P102 HydrophobicContact CD1-CG 3.97Å; L13-L105 HydrophobicContact CD1-CD1 3.75Å |
| 14 | L | 97.6 | Very high | 95.1 | Very high | 29 Ų | 29 | 47.2 Ų | 47.2 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 116.7 | 172.3 | -59.9 | 177.9 | 0 | 0 | 0 | 109.7 | Y7 V9 L160 F161 | Y7-L14 HydrophobicContact CD1-CB 4.17Å; Y7-L14 HydrophobicContact CD2-CD1 4.4Å; Y7-L14 HydrophobicContact CD2-CD2 4.29Å; Y7-L14 HydrophobicContact CG-CB 4.07Å; Y7-L14 HydrophobicContact CG-CD2 4.28Å; V9-L14 HydrophobicContact CG2-CD2 4.08Å; L14-L160 WeakPolarHBondContact O-CA 3.34Å; L14-F161 PolarHBondContact O-N 2.84Å; L14-F161 VanDerWaalsContact O-N 3.12Å |
| 15 | C | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.4 | 176.9 | -61.3 | 0 | 0 | 0 | 0 | 110.1 | Y7 I8 K17 H20 F25 | Y7-C15 CarbonylContact C-O 3.59Å; Y7-C15 VanDerWaalsContact CA-O 3.27Å; Y7-C15 WeakPolarHBondContact CA-O 3.45Å; I8-C15 PolarHBondContact N-O 2.8Å; I8-C15 PolarHBondContact O-N 2.86Å; C15-K17 PolarHBondContact O-N 2.78Å; C15-H20 HydrophobicContact CB-CB 4.28Å; C15-F25 HydrophobicContact CB-CE1 4.36Å; C15-F25 HydrophobicContact CB-CZ 3.62Å |
| 16 | P | 96.9 | Very high | 96.8 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 4% | 0.039 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 130.5 | -176.6 | -21.6 | 32.9 | 0 | 0 | 0 | 113.6 | E18 T19 H20 F140 L141 L160 | P16-E18 PolarHBondContact O-N 3.08Å; P16-T19 PolarHBondContact O-N 3.07Å; P16-H20 VanDerWaalsContact O-CB 3.29Å; P16-H20 WeakPolarHBondContact O-CB 3.46Å; P16-H20 PolarHBondContact O-N 3.24Å; P16-H20 PolarHBondContact O-ND1 3.04Å; P16-H20 VanDerWaalsContact O-ND1 3.1Å; P16-F140 HydrophobicContact CB-CD2 3.84Å; P16-F140 HydrophobicContact CB-CE2 4.2Å; P16-F140 HydrophobicContact CG-CD2 4.38Å; P16-F140 HydrophobicContact CG-CE2 4.34Å; P16-L141 HydrophobicContact CB-CD2 4.33Å; P16-L141 HydrophobicContact CG-CD2 3.89Å; P16-L160 HydrophobicContact CG-CD2 3.71Å |
| 17 | K | 95.9 | Very high | 97 | Very high | 80 Ų | 80 | 44.3 Ų | 44.3 | 35% | 0.348 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -26.4 | 175.5 | -77.1 | 174.3 | 178.2 | 163.9 | 0 | 113.9 | N3 G5 N6 Y7 I8 C15 T19 | N3-K17 VanDerWaalsContact OD1-CE 3.28Å; N3-K17 WeakPolarHBondContact OD1-CE 3.47Å; G5-K17 PolarHBondContact O-NZ 3.17Å; N6-K17 WeakPolarHBondContact O-CB 3.21Å; N6-K17 PolarHBondContact O-N 2.8Å; Y7-K17 WeakPolarHBondContact O-CE 3.35Å; I8-K17 HydrophobicContact CD1-CG 4.28Å; I8-K17 HydrophobicContact CG1-CG 3.55Å; C15-K17 PolarHBondContact O-N 2.78Å; K17-T19 VanDerWaalsContact C-N 3.27Å; K17-T19 PolarHBondContact O-N 3.01Å |
| 18 | E | 95.9 | Very high | 97 | Very high | 108 Ų | 108 | 44.3 Ų | 44.3 | 51% | 0.505 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -35.6 | 179.6 | -176.2 | 61.6 | -156.6 | 0 | 0 | 111.9 | P16 F140 | P16-E18 PolarHBondContact O-N 3.08Å; E18-F140 HydrophobicContact CB-CB 3.47Å; E18-F140 VanDerWaalsContact CB-CB 3.47Å; E18-F140 HydrophobicContact CB-CD1 4.22Å; E18-F140 HydrophobicContact CB-CD2 4.13Å; E18-F140 HydrophobicContact CB-CG 3.69Å; E18-F140 HydrophobicContact CG-CB 3.95Å; E18-F140 HydrophobicContact CG-CD1 3.95Å; E18-F140 HydrophobicContact CG-CG 3.95Å |
| 19 | T | 96.3 | Very high | 97.1 | Very high | 37 Ų | 37 | 47.5 Ų | 47.5 | 23% | 0.227 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -17.3 | -177.1 | 64.1 | 0 | 0 | 0 | 0 | 113.8 | P16 K17 E81 T82 | P16-T19 PolarHBondContact O-N 3.07Å; K17-T19 VanDerWaalsContact C-N 3.27Å; K17-T19 PolarHBondContact O-N 3.01Å; T19-E81 VanDerWaalsContact CB-CD 3.5Å; T19-E81 VanDerWaalsContact CB-OE1 3.24Å; T19-E81 WeakPolarHBondContact CB-OE1 3.47Å; T19-E81 WeakPolarHBondContact O-CA 3.5Å; T19-E81 PolarHBondContact OG1-OE1 3.27Å; T19-T82 PolarHBondContact O-N 3.44Å; T19-T82 PolarHBondContact O-OG1 2.94Å; T19-T82 VanDerWaalsContact O-OG1 3.06Å |
| 20 | H | 97.9 | Very high | 97.1 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 2% | 0.023 | 26% | 0.263 | C | S | . | . | trans | -114.6 | 146.8 | -177.5 | -57.3 | 70 | 0 | 0 | 0 | 112.1 | I8 C15 P16 F25 E80 E81 F161 | I8-H20 WeakPolarHBondContact CD1-O 3.27Å; C15-H20 HydrophobicContact CB-CB 4.28Å; P16-H20 VanDerWaalsContact O-CB 3.29Å; P16-H20 WeakPolarHBondContact O-CB 3.46Å; P16-H20 PolarHBondContact O-N 3.24Å; P16-H20 PolarHBondContact O-ND1 3.04Å; P16-H20 VanDerWaalsContact O-ND1 3.1Å; H20-F25 HydrophobicContact CB-CE1 4.34Å; H20-F25 HydrophobicContact CB-CE2 4.09Å; H20-F25 HydrophobicContact CB-CZ 3.66Å; H20-F25 AromaticContact CD2-CE1 3.58Å; H20-F25 AromaticContact CD2-CZ 3.68Å; H20-F25 AromaticContact CG-CZ 3.96Å; H20-E80 PolarHBondContact CD2-O 3.4Å; H20-E80 WeakPolarHBondContact NE2-CG 3.35Å; H20-E81 IonicContact CE1-OE1 3.93Å; H20-F161 AromaticContact NE2-CZ 3.7Å | ||
| 21 | S | 97.3 | Very high | 97.1 | Very high | 25 Ų | 25 | 52.3 Ų | 52.3 | 18% | 0.175 | 27% | 0.265 | C | S | . | . | trans | -139.5 | 165.3 | 174.5 | 55.1 | 0 | 0 | 0 | 0 | 110 | E23 S24 F25 T82 | S21-E23 PolarHBondContact O-N 2.85Å; S21-S24 PolarHBondContact N-OG 3.42Å; S21-S24 PolarHBondContact O-N 3.23Å; S21-S24 PolarHBondContact O-OG 3.19Å; S21-S24 WeakPolarHBondContact OG-CB 3.47Å; S21-S24 PolarHBondContact OG-N 3.32Å; S21-F25 WeakPolarHBondContact O-CD2 3.38Å; S21-F25 PolarHBondContact O-N 3.41Å; S21-F25 VanDerWaalsContact O-N 3.1Å; S21-T82 PolarHBondContact OG-OG1 3.46Å | ||
| 22 | F | 95.9 | Very high | 97.2 | Very high | 86 Ų | 86 | 54.9 Ų | 54.9 | 38% | 0.377 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.1 | -34.2 | 173.2 | -63 | -52.5 | 0 | 0 | 0 | 111.2 | M1 I8 K26 | M1-F22 HydrophobicContact CB-CD1 4.27Å; M1-F22 HydrophobicContact CB-CE1 3.6Å; M1-F22 HydrophobicContact CB-CZ 4.48Å; M1-F22 HydrophobicContact CG-CE1 4.36Å; M1-F22 HydrophobicContact SD-CD1 3.53Å; M1-F22 VanDerWaalsContact SD-CD1 3.53Å; M1-F22 HydrophobicContact SD-CE1 3.85Å; I8-F22 HydrophobicContact CG2-CD1 4.12Å; I8-F22 HydrophobicContact CG2-CE1 3.43Å; I8-F22 VanDerWaalsContact CG2-CE1 3.43Å; I8-F22 HydrophobicContact CG2-CZ 4.06Å; F22-K26 WeakPolarHBondContact O-CB 3.44Å; F22-K26 PolarHBondContact O-N 2.85Å |
| 23 | E | 97.8 | Very high | 97.3 | Very high | 137 Ų | 137 | 52.4 Ų | 52.4 | 64% | 0.64 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -65.6 | -38.7 | 174.6 | -64.8 | 73.3 | -163.8 | 0 | 0 | 111.8 | S21 K26 Y27 | S21-E23 PolarHBondContact O-N 2.85Å; E23-K26 PolarHBondContact O-N 2.98Å; E23-Y27 WeakPolarHBondContact O-CB 3.45Å; E23-Y27 PolarHBondContact O-N 3.44Å |
| 24 | S | 98.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.9 | -40.3 | 176.6 | 77.2 | 0 | 0 | 0 | 0 | 112.4 | S21 Y27 A28 E80 E81 | S21-S24 PolarHBondContact N-OG 3.42Å; S21-S24 PolarHBondContact O-N 3.23Å; S21-S24 PolarHBondContact O-OG 3.19Å; S21-S24 WeakPolarHBondContact OG-CB 3.47Å; S21-S24 PolarHBondContact OG-N 3.32Å; S24-Y27 PolarHBondContact O-N 3.33Å; S24-A28 WeakPolarHBondContact O-CB 3.38Å; S24-A28 PolarHBondContact O-N 2.95Å; S24-E80 WeakPolarHBondContact CB-O 2.97Å; S24-E80 PolarHBondContact OG-O 3.48Å; S24-E81 VanDerWaalsContact CB-C 3.49Å |
| 25 | F | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 173.1 | -64.8 | -53.4 | 0 | 0 | 0 | 111.7 | I8 Y10 C15 H20 S21 Y27 A28 E29 E80 M101 | I8-F25 HydrophobicContact CB-CE2 4.2Å; I8-F25 HydrophobicContact CD1-CE2 4.24Å; I8-F25 HydrophobicContact CG2-CE2 3.87Å; Y10-F25 HydrophobicContact CD1-CD1 4.08Å; Y10-F25 HydrophobicContact CD1-CE1 4.11Å; Y10-F25 HydrophobicContact CD2-CB 4.04Å; Y10-F25 AromaticContact CD2-CD1 3.98Å; Y10-F25 HydrophobicContact CD2-CD1 3.98Å; Y10-F25 AromaticContact CD2-CD2 3.8Å; Y10-F25 HydrophobicContact CD2-CD2 3.8Å; Y10-F25 HydrophobicContact CD2-CE1 4.42Å; Y10-F25 HydrophobicContact CD2-CE2 4.26Å; Y10-F25 AromaticContact CD2-CG 3.67Å; Y10-F25 HydrophobicContact CD2-CG 3.67Å; Y10-F25 HydrophobicContact CE1-CD1 4.2Å; Y10-F25 HydrophobicContact CE2-CB 3.72Å; Y10-F25 HydrophobicContact CE2-CD1 4.13Å; Y10-F25 HydrophobicContact CE2-CD2 4.37Å; Y10-F25 AromaticContact CE2-CG 3.83Å; Y10-F25 HydrophobicContact CE2-CG 3.83Å; Y10-F25 AromaticContact CG-CD1 3.97Å; Y10-F25 HydrophobicContact CG-CD1 3.97Å; Y10-F25 HydrophobicContact CG-CD2 4.2Å; Y10-F25 HydrophobicContact CG-CE1 4Å; Y10-F25 HydrophobicContact CG-CE2 4.24Å; Y10-F25 HydrophobicContact CG-CG 4.09Å; Y10-F25 HydrophobicContact CG-CZ 4.14Å; C15-F25 HydrophobicContact CB-CE1 4.36Å; C15-F25 HydrophobicContact CB-CZ 3.62Å; H20-F25 HydrophobicContact CB-CE1 4.34Å; H20-F25 HydrophobicContact CB-CE2 4.09Å; H20-F25 HydrophobicContact CB-CZ 3.66Å; H20-F25 AromaticContact CD2-CE1 3.58Å; H20-F25 AromaticContact CD2-CZ 3.68Å; H20-F25 AromaticContact CG-CZ 3.96Å; S21-F25 WeakPolarHBondContact O-CD2 3.38Å; S21-F25 PolarHBondContact O-N 3.41Å; S21-F25 VanDerWaalsContact O-N 3.1Å; F25-Y27 VanDerWaalsContact C-N 3.34Å; F25-Y27 PolarHBondContact O-N 3.03Å; F25-A28 WeakPolarHBondContact O-CB 3.37Å; F25-A28 PolarHBondContact O-N 3.27Å; F25-E29 WeakPolarHBondContact O-CG 3.3Å; F25-E29 PolarHBondContact O-N 3.31Å; F25-E80 HydrophobicContact CD1-CB 4.39Å; F25-E80 HydrophobicContact CE1-CB 4.3Å; F25-M101 HydrophobicContact CD1-CE 3.88Å; F25-M101 HydrophobicContact CE1-CE 3.58Å |
| 26 | K | 97.8 | Very high | 97.4 | Very high | 112 Ų | 112 | 61.8 Ų | 61.8 | 49% | 0.487 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 175.6 | -175.4 | 179.6 | 176.7 | -175.9 | 0 | 111.8 | F22 E23 A28 E29 E30 | F22-K26 WeakPolarHBondContact O-CB 3.44Å; F22-K26 PolarHBondContact O-N 2.85Å; E23-K26 PolarHBondContact O-N 2.98Å; K26-A28 VanDerWaalsContact C-N 3.33Å; K26-A28 PolarHBondContact O-N 3.45Å; K26-E29 PolarHBondContact O-N 2.89Å; K26-E30 WeakPolarHBondContact CE-OE1 3.19Å; K26-E30 VanDerWaalsContact CE-OE2 3.27Å; K26-E30 WeakPolarHBondContact CE-OE2 3.5Å; K26-E30 HydrophobicContact CG-CG 4.34Å; K26-E30 IonicContact NZ-OE1 3.91Å; K26-E30 WeakPolarHBondContact O-CB 3.4Å; K26-E30 WeakPolarHBondContact O-CG 3.39Å; K26-E30 PolarHBondContact O-N 3.18Å |
| 27 | Y | 97.8 | Very high | 97.5 | Very high | 40 Ų | 40 | 61.5 Ų | 61.5 | 16% | 0.157 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.4 | -46.2 | 174.3 | 174.5 | -93.9 | 0 | 0 | 0 | 111.4 | E23 S24 F25 E29 E30 I31 A84 A85 L88 D89 | E23-Y27 WeakPolarHBondContact O-CB 3.45Å; E23-Y27 PolarHBondContact O-N 3.44Å; S24-Y27 PolarHBondContact O-N 3.33Å; F25-Y27 VanDerWaalsContact C-N 3.34Å; F25-Y27 PolarHBondContact O-N 3.03Å; Y27-E29 VanDerWaalsContact C-N 3.32Å; Y27-E29 PolarHBondContact O-N 3.29Å; Y27-E30 PolarHBondContact O-N 2.95Å; Y27-I31 HydrophobicContact CE1-CD1 4.17Å; Y27-I31 PolarHBondContact O-N 2.84Å; Y27-A84 HydrophobicContact CD1-CB 4.36Å; Y27-A84 HydrophobicContact CE1-CB 3.95Å; Y27-A85 HydrophobicContact CD1-CB 3.96Å; Y27-A85 HydrophobicContact CD2-CB 3.82Å; Y27-A85 HydrophobicContact CE1-CB 4.29Å; Y27-A85 HydrophobicContact CE2-CB 4.17Å; Y27-A85 HydrophobicContact CG-CB 3.72Å; Y27-L88 HydrophobicContact CE1-CD2 4.34Å; Y27-D89 PolarHBondContact OH-OD1 2.88Å |
| 28 | A | 97.8 | Very high | 97.6 | Very high | 11 Ų | 11 | 58.1 Ų | 58.1 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.7 | -37 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S24 F25 K26 I31 L79 P107 | S24-A28 WeakPolarHBondContact O-CB 3.38Å; S24-A28 PolarHBondContact O-N 2.95Å; F25-A28 WeakPolarHBondContact O-CB 3.37Å; F25-A28 PolarHBondContact O-N 3.27Å; K26-A28 VanDerWaalsContact C-N 3.33Å; K26-A28 PolarHBondContact O-N 3.45Å; A28-I31 VanDerWaalsContact O-CG2 3.31Å; A28-I31 WeakPolarHBondContact O-CG2 3.44Å; A28-L79 HydrophobicContact CB-CD1 4.46Å; A28-L79 HydrophobicContact CB-CD2 4.44Å; A28-L79 HydrophobicContact CB-CG 3.91Å; A28-L79 WeakPolarHBondContact CB-O 3.38Å; A28-P107 VanDerWaalsContact O-CB 3.31Å; A28-P107 WeakPolarHBondContact O-CB 3.43Å |
| 29 | E | 97.6 | Very high | 97.7 | Very high | 74 Ų | 74 | 53 Ų | 53 | 35% | 0.346 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.6 | -40.3 | 175.1 | -72.3 | 174.3 | -167.4 | 0 | 0 | 112.4 | Y10 F25 K26 Y27 P108 | Y10-E29 PolarHBondContact OH-OE1 3.47Å; F25-E29 WeakPolarHBondContact O-CG 3.3Å; F25-E29 PolarHBondContact O-N 3.31Å; K26-E29 PolarHBondContact O-N 2.89Å; Y27-E29 VanDerWaalsContact C-N 3.32Å; Y27-E29 PolarHBondContact O-N 3.29Å; E29-P108 VanDerWaalsContact O-CD 3.3Å; E29-P108 WeakPolarHBondContact O-CD 3.46Å |
| 30 | E | 97.6 | Very high | 97.8 | Very high | 132 Ų | 132 | 51.2 Ų | 51.2 | 62% | 0.617 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -90.9 | -10.1 | -171.6 | -69 | -179.2 | 166.7 | 0 | 0 | 114.3 | K26 Y27 | K26-E30 WeakPolarHBondContact CE-OE1 3.19Å; K26-E30 VanDerWaalsContact CE-OE2 3.27Å; K26-E30 WeakPolarHBondContact CE-OE2 3.5Å; K26-E30 HydrophobicContact CG-CG 4.34Å; K26-E30 IonicContact NZ-OE1 3.91Å; K26-E30 WeakPolarHBondContact O-CB 3.4Å; K26-E30 WeakPolarHBondContact O-CG 3.39Å; K26-E30 PolarHBondContact O-N 3.18Å; Y27-E30 PolarHBondContact O-N 2.95Å |
| 31 | I | 97.1 | Very high | 97.9 | Very high | 12 Ų | 12 | 51 Ų | 51 | 6% | 0.062 | 24% | 0.239 | C | C | . | . | trans | -54.7 | 141.5 | -179.7 | -166.5 | 170.7 | 0 | 0 | 0 | 111.8 | Y27 A28 V33 L79 L88 P107 S109 | Y27-I31 HydrophobicContact CE1-CD1 4.17Å; Y27-I31 PolarHBondContact O-N 2.84Å; A28-I31 VanDerWaalsContact O-CG2 3.31Å; A28-I31 WeakPolarHBondContact O-CG2 3.44Å; I31-V33 HydrophobicContact CG2-CG2 4.26Å; I31-V33 PolarHBondContact O-N 3.41Å; I31-L79 HydrophobicContact CD1-CD1 3.79Å; I31-L79 HydrophobicContact CG2-CD1 4.13Å; I31-L88 HydrophobicContact CD1-CD2 3.29Å; I31-L88 HydrophobicContact CD1-CG 4.18Å; I31-P107 HydrophobicContact CG2-CB 3.92Å; I31-P107 HydrophobicContact CG2-CG 3.83Å; I31-S109 PolarHBondContact O-OG 2.94Å | ||
| 32 | K | 97.1 | Very high | 98 | Very high | 171 Ų | 171 | 49.8 Ų | 49.8 | 74% | 0.743 | 23% | 0.231 | S | C | * | . | trans | -86.4 | 109.2 | 168.3 | -171.4 | -178.9 | 179.1 | -171.5 | 0 | 109.7 | R95 | K32-R95 PolarHBondContact O-NH2 3.38Š| ||
| 33 | V | 98.2 | Very high | 98.1 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | trans | -74.3 | 131 | 171.6 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | I31 D37 F39 P107 S109 F110 S113 A115 | I31-V33 HydrophobicContact CG2-CG2 4.26Å; I31-V33 PolarHBondContact O-N 3.41Å; V33-D37 WeakPolarHBondContact CA-OD2 3.42Å; V33-D37 HydrophobicContact CG1-CB 4.28Å; V33-F39 HydrophobicContact CG1-CE2 3.75Å; V33-F39 HydrophobicContact CG1-CZ 3.99Å; V33-F39 HydrophobicContact CG2-CE2 4.42Å; V33-F39 HydrophobicContact CG2-CZ 3.83Å; V33-P107 HydrophobicContact CG2-CG 3.94Å; V33-S109 WeakPolarHBondContact CB-OG 3.42Å; V33-S109 WeakPolarHBondContact CG2-OG 3.45Å; V33-S109 PolarHBondContact N-OG 2.61Å; V33-F110 HydrophobicContact CG2-CB 4.18Å; V33-S113 WeakPolarHBondContact CG1-OG 3.31Å; V33-A115 HydrophobicContact CG1-CB 3.67Å | ||
| 34 | E | 97.9 | Very high | 98.1 | Very high | 68 Ų | 68 | 39.6 Ų | 39.6 | 32% | 0.318 | 19% | 0.185 | S | C | . | . | trans | -90.4 | 155.4 | 174.4 | -62 | -177.5 | 175.5 | 0 | 0 | 110.5 | E36 D37 S93 | E34-E36 PolarHBondContact O-N 3.18Å; E34-D37 PolarHBondContact N-OD2 3.22Å; E34-D37 WeakPolarHBondContact O-CB 3.31Å; E34-D37 PolarHBondContact O-N 2.93Å; E34-S93 PolarHBondContact OE2-OG 3.22Å | ||
| 35 | D | 98.3 | Very high | 98.1 | Very high | 64 Ų | 64 | 41 Ų | 41 | 34% | 0.342 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -27.8 | 179.9 | -86.4 | -2.4 | 0 | 0 | 0 | 111.9 | S113 K114 A115 | D35-S113 WeakPolarHBondContact OD1-CA 3.23Å; D35-K114 HydrophobicContact CB-CB 3.94Å; D35-K114 CarbonylContact O-C 3.25Å; D35-K114 VanDerWaalsContact O-C 3.25Å; D35-K114 PolarHBondContact OD1-N 3.05Å; D35-K114 IonicContact OD2-NZ 2.94Å; D35-A115 WeakPolarHBondContact O-CA 3.47Å; D35-A115 PolarHBondContact O-N 2.76Å |
| 36 | E | 97.9 | Very high | 98.1 | Very high | 117 Ų | 117 | 41 Ų | 41 | 55% | 0.547 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -6.2 | 179.5 | -63.3 | 74 | -163.5 | 0 | 0 | 113.6 | E34 P94 | E34-E36 PolarHBondContact O-N 3.18Å; E36-P94 HydrophobicContact CB-CB 4.16Å; E36-P94 WeakPolarHBondContact O-CB 3.5Å |
| 37 | D | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -61.8 | 144.4 | -180 | -77.9 | -22.8 | 0 | 0 | 0 | 112.2 | V33 E34 F39 R95 M97 A115 K116 | V33-D37 WeakPolarHBondContact CA-OD2 3.42Å; V33-D37 HydrophobicContact CG1-CB 4.28Å; E34-D37 PolarHBondContact N-OD2 3.22Å; E34-D37 WeakPolarHBondContact O-CB 3.31Å; E34-D37 PolarHBondContact O-N 2.93Å; D37-F39 HydrophobicContact CB-CE2 3.9Å; D37-R95 WeakPolarHBondContact OD1-CB 3.33Å; D37-R95 IonicContact OD1-CZ 3.78Å; D37-R95 IonicContact OD1-NE 2.67Å; D37-R95 PolarHBondContact OD1-NE 3.14Å; D37-R95 IonicContact OD1-NH2 3.54Å; D37-R95 PolarHBondContact OD1-NH2 3.5Å; D37-R95 IonicContact OD2-CZ 3.72Å; D37-R95 IonicContact OD2-NE 2.86Å; D37-R95 IonicContact OD2-NH2 2.62Å; D37-R95 PolarHBondContact OD2-NH2 2.67Å; D37-M97 HydrophobicContact CB-CE 4.13Å; D37-A115 HydrophobicContact CB-CB 4Å; D37-A115 CarbonylContact O-C 3.56Å; D37-A115 VanDerWaalsContact O-CA 3.3Å; D37-A115 WeakPolarHBondContact O-CA 3.48Å; D37-A115 WeakPolarHBondContact O-CB 3.42Å; D37-K116 PolarHBondContact O-N 3.22Å | ||
| 38 | I | 98.8 | Very high | 98 | Very high | 8 Ų | 8 | 34.7 Ų | 34.7 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 116.1 | 178 | -48.7 | -57.6 | 0 | 0 | 0 | 109.5 | V55 L59 P94 R95 M97 K116 I118 L203 | I38-V55 HydrophobicContact CG2-CG1 4.13Å; I38-L59 HydrophobicContact CG1-CD1 4.37Å; I38-L59 HydrophobicContact CG1-CD2 4.35Å; I38-P94 HydrophobicContact CG1-CB 4.34Å; I38-R95 PolarHBondContact N-O 3.21Å; I38-M97 PolarHBondContact O-N 3.15Å; I38-K116 HydrophobicContact CD1-CB 3.87Å; I38-K116 HydrophobicContact CD1-CD 4.33Å; I38-K116 HydrophobicContact CD1-CG 4.46Å; I38-I118 HydrophobicContact CG2-CD1 4Å; I38-L203 HydrophobicContact CD1-CD2 3.59Å; I38-L203 HydrophobicContact CG1-CD2 4.15Å; I38-L203 HydrophobicContact CG2-CD2 3.96Å |
| 39 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 125.9 | 173 | -67.1 | -92 | 0 | 0 | 0 | 109.9 | V33 D37 V41 L79 M97 M106 F110 A115 K116 V117 I118 | V33-F39 HydrophobicContact CG1-CE2 3.75Å; V33-F39 HydrophobicContact CG1-CZ 3.99Å; V33-F39 HydrophobicContact CG2-CE2 4.42Å; V33-F39 HydrophobicContact CG2-CZ 3.83Å; D37-F39 HydrophobicContact CB-CE2 3.9Å; F39-V41 HydrophobicContact CB-CG2 4.15Å; F39-L79 HydrophobicContact CE1-CD2 4.17Å; F39-M97 WeakPolarHBondContact CA-O 3.14Å; F39-M97 HydrophobicContact CD1-CG 3.66Å; F39-M97 HydrophobicContact CD1-SD 3.98Å; F39-M97 HydrophobicContact CE1-CE 4.33Å; F39-M97 HydrophobicContact CE1-CG 3.65Å; F39-M97 HydrophobicContact CE1-SD 3.3Å; F39-M97 WeakPolarHBondContact CE1-SD 3.44Å; F39-M97 HydrophobicContact CG-CG 4.34Å; F39-M97 HydrophobicContact CZ-CE 4.13Å; F39-M97 HydrophobicContact CZ-CG 4.31Å; F39-M97 HydrophobicContact CZ-SD 3.65Å; F39-M106 HydrophobicContact CD1-CE 3.66Å; F39-M106 HydrophobicContact CE1-CE 3.8Å; F39-M106 HydrophobicContact CG-CE 4.27Å; F39-F110 HydrophobicContact CD2-CD2 4.11Å; F39-F110 HydrophobicContact CD2-CE2 4.05Å; F39-F110 AromaticContact CE2-CD2 3.9Å; F39-F110 HydrophobicContact CE2-CD2 3.9Å; F39-F110 HydrophobicContact CE2-CE2 4.31Å; F39-F110 HydrophobicContact CG-CE2 4.48Å; F39-F110 HydrophobicContact CZ-CD2 4.28Å; F39-A115 HydrophobicContact CD2-CB 3.97Å; F39-A115 HydrophobicContact CE2-CB 3.7Å; F39-K116 PolarHBondContact N-O 3.39Å; F39-V117 HydrophobicContact CB-CG2 4.36Å; F39-V117 CarbonylContact O-C 3.52Å; F39-V117 VanDerWaalsContact O-CA 3.3Å; F39-V117 WeakPolarHBondContact O-CA 3.44Å; F39-I118 PolarHBondContact O-N 3.4Å |
| 40 | T | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 115.1 | 160.6 | -65 | 0 | 0 | 0 | 0 | 109 | T42 M51 M97 V98 S99 I118 | T40-T42 HydrophobicContact CG2-CG2 4.23Å; T40-M51 HydrophobicContact CG2-CB 3.44Å; T40-M51 VanDerWaalsContact CG2-CB 3.44Å; T40-M51 HydrophobicContact CG2-CG 3.71Å; T40-M97 PolarHBondContact N-O 2.79Å; T40-V98 HydrophobicContact CG2-CG1 4.09Å; T40-V98 CarbonylContact O-C 3.56Å; T40-V98 WeakPolarHBondContact O-CA 3.36Å; T40-S99 PolarHBondContact O-N 3.48Å; T40-I118 CarbonylContact C-O 3.46Å; T40-I118 WeakPolarHBondContact CA-O 3.3Å |
| 41 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 133.8 | -177.7 | -174 | 0 | 0 | 0 | 0 | 110.9 | F39 S99 V117 I118 Y119 V120 W171 | F39-V41 HydrophobicContact CB-CG2 4.15Å; V41-S99 WeakPolarHBondContact CA-O 3.37Å; V41-S99 WeakPolarHBondContact CG1-O 3.47Å; V41-V117 HydrophobicContact CG2-CG1 4.18Å; V41-I118 PolarHBondContact N-O 2.82Å; V41-Y119 HydrophobicContact CB-CD2 4Å; V41-Y119 HydrophobicContact CB-CE2 4.49Å; V41-Y119 HydrophobicContact CG1-CD2 4.1Å; V41-Y119 HydrophobicContact CG1-CE2 4.1Å; V41-Y119 WeakPolarHBondContact O-CA 3.2Å; V41-Y119 WeakPolarHBondContact O-CD2 3.41Å; V41-V120 PolarHBondContact O-N 3.17Å; V41-W171 HydrophobicContact CB-CH2 4.29Å; V41-W171 HydrophobicContact CB-CZ2 4Å; V41-W171 HydrophobicContact CG1-CD2 4.15Å; V41-W171 VanDerWaalsContact CG1-CE2 3.42Å; V41-W171 HydrophobicContact CG1-CH2 4.3Å; V41-W171 HydrophobicContact CG1-CZ2 3.53Å; V41-W171 HydrophobicContact CG2-CH2 3.7Å; V41-W171 HydrophobicContact CG2-CZ2 3.73Å; V41-W171 HydrophobicContact CG2-CZ3 4.3Å |
| 42 | T | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 147.1 | -176.1 | 61.4 | 0 | 0 | 0 | 0 | 109.6 | T40 T48 S99 H100 V120 | T40-T42 HydrophobicContact CG2-CG2 4.23Å; T42-T48 HydrophobicContact CG2-CG2 4.46Å; T42-T48 PolarHBondContact OG1-OG1 3.08Å; T42-S99 PolarHBondContact N-O 2.71Å; T42-S99 VanDerWaalsContact N-O 3.13Å; T42-H100 WeakPolarHBondContact O-CA 3.43Å; T42-H100 PolarHBondContact O-ND1 3.13Å; T42-H100 PolarHBondContact OG1-CE1 2.65Å; T42-H100 PolarHBondContact OG1-ND1 2.87Å; T42-V120 HydrophobicContact CG2-CB 3.74Å; T42-V120 HydrophobicContact CG2-CG2 4.22Å |
| 43 | Y | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 1% | 0.012 | 9% | 0.087 | C | C | . | . | trans | -68 | 143.2 | 157.3 | -175.3 | -90.2 | 0 | 0 | 0 | 108.6 | K45 S46 V127 F154 V159 L160 G162 W164 H167 | Y43-K45 PolarHBondContact O-N 3.29Å; Y43-S46 WeakPolarHBondContact O-CB 3.08Å; Y43-S46 PolarHBondContact O-N 2.86Å; Y43-S46 VanDerWaalsContact O-N 3.15Å; Y43-S46 PolarHBondContact O-OG 2.96Å; Y43-V127 HydrophobicContact CD1-CG1 3.63Å; Y43-V127 HydrophobicContact CE1-CG1 3.65Å; Y43-F154 AromaticContact CE1-CE2 3.96Å; Y43-F154 HydrophobicContact CE1-CE2 3.96Å; Y43-F154 HydrophobicContact CE1-CZ 4.17Å; Y43-V159 WeakPolarHBondContact OH-CG2 3.43Å; Y43-L160 PolarHBondContact OH-O 3.32Å; Y43-G162 PolarHBondContact OH-O 3.05Å; Y43-W164 AromaticContact CD1-CD1 3.67Å; Y43-W164 HydrophobicContact CD1-CG 4.5Å; Y43-W164 HydrophobicContact CD2-CB 4.38Å; Y43-W164 HydrophobicContact CE1-CB 4.34Å; Y43-W164 HydrophobicContact CE2-CB 4.19Å; Y43-W164 AromaticContact CG-CD1 3.74Å; Y43-W164 HydrophobicContact CG-CG 4.46Å; Y43-H167 HydrophobicContact CD2-CB 3.76Å; Y43-H167 AromaticContact CD2-CG 3.82Å; Y43-H167 HydrophobicContact CE2-CB 4.46Å | ||
| 44 | P | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 16.7 Ų | 16.7 | 4% | 0.039 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.8 | 138.4 | -179.7 | -29.3 | 32.7 | 0 | 0 | 0 | 113.2 | S46 H100 V127 L160 F161 | P44-S46 VanDerWaalsContact C-N 3.31Å; P44-S46 PolarHBondContact O-N 2.89Å; P44-H100 HydrophobicContact CG-CB 4.22Å; P44-V127 WeakPolarHBondContact O-CG1 3.47Å; P44-L160 HydrophobicContact CG-CB 4.49Å; P44-F161 HydrophobicContact CG-CB 4.03Å; P44-F161 HydrophobicContact CG-CD2 3.4Å; P44-F161 VanDerWaalsContact CG-CD2 3.4Å; P44-F161 HydrophobicContact CG-CE2 4.18Å; P44-F161 HydrophobicContact CG-CG 4.01Å |
| 45 | K | 97.9 | Very high | 98.1 | Very high | 30 Ų | 30 | 13.6 Ų | 13.6 | 13% | 0.13 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 16 | 179.7 | -36.3 | -51.7 | -61.5 | -177.6 | 0 | 115.9 | Y43 R122 V127 F134 | Y43-K45 PolarHBondContact O-N 3.29Å; K45-R122 PolarHBondContact O-NH1 3.38Å; K45-V127 HydrophobicContact CB-CG1 4.48Å; K45-F134 HydrophobicContact CD-CB 4.36Å; K45-F134 HydrophobicContact CD-CD1 4Å; K45-F134 HydrophobicContact CD-CG 4.25Å; K45-F134 VanDerWaalsContact NZ-CG 3.31Å |
| 46 | S | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -92.2 | 9.2 | 176.2 | -50.8 | 0 | 0 | 0 | 0 | 115.1 | Y43 P44 | Y43-S46 WeakPolarHBondContact O-CB 3.08Å; Y43-S46 PolarHBondContact O-N 2.86Å; Y43-S46 VanDerWaalsContact O-N 3.15Å; Y43-S46 PolarHBondContact O-OG 2.96Å; P44-S46 VanDerWaalsContact C-N 3.31Å; P44-S46 PolarHBondContact O-N 2.89Å |
| 47 | G | 95.4 | Very high | 98.1 | Very high | 13 Ų | 13 | 5.7 Ų | 5.7 | 13% | 0.134 | 3% | 0.032 | C | C | . | . | S | Bend | trans | 108.2 | 19.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | T49 W50 M51 | G47-T49 VanDerWaalsContact C-N 3.32Å; G47-T49 PolarHBondContact O-N 3.22Å; G47-W50 VanDerWaalsContact O-CB 3.26Å; G47-W50 WeakPolarHBondContact O-CB 3.37Å; G47-W50 PolarHBondContact O-N 3.34Å; G47-M51 PolarHBondContact O-N 3.45Å |
| 48 | T | 98.1 | Very high | 98.1 | Very high | 7 Ų | 7 | 5.8 Ų | 5.8 | 4% | 0.043 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -49.9 | -48 | 179.1 | -32.7 | 0 | 0 | 0 | 0 | 112.9 | T42 W50 M51 Q52 W78 V98 H100 | T42-T48 HydrophobicContact CG2-CG2 4.46Å; T42-T48 PolarHBondContact OG1-OG1 3.08Å; T48-W50 PolarHBondContact O-N 3.23Å; T48-M51 CarbonylContact O-C 3.59Å; T48-M51 WeakPolarHBondContact O-CB 3.04Å; T48-M51 PolarHBondContact O-N 2.95Å; T48-Q52 WeakPolarHBondContact O-CG 3.44Å; T48-Q52 PolarHBondContact O-N 3.33Å; T48-W78 HydrophobicContact CG2-CZ2 3.84Å; T48-V98 HydrophobicContact CG2-CB 3.83Å; T48-V98 HydrophobicContact CG2-CG1 3.73Å; T48-V98 HydrophobicContact CG2-CG2 4.14Å; T48-H100 PolarHBondContact OG1-CE1 3.16Å; T48-H100 VanDerWaalsContact OG1-CE1 3.3Å |
| 49 | T | 97.1 | Very high | 98 | Very high | 11 Ų | 11 | 6.7 Ų | 6.7 | 7% | 0.067 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -62.1 | -32.7 | 179.2 | -56.4 | 0 | 0 | 0 | 0 | 113 | G47 M51 Q52 E53 M224 S230 Y232 F247 | G47-T49 VanDerWaalsContact C-N 3.32Å; G47-T49 PolarHBondContact O-N 3.22Å; T49-M51 VanDerWaalsContact C-N 3.34Å; T49-Q52 PolarHBondContact O-N 3.44Å; T49-E53 PolarHBondContact O-N 2.98Å; T49-E53 VanDerWaalsContact O-N 3.1Å; T49-M224 HydrophobicContact CG2-CE 4.15Å; T49-S230 VanDerWaalsContact CG2-O 3.26Å; T49-S230 WeakPolarHBondContact CG2-O 3.34Å; T49-Y232 HydrophobicContact CG2-CE2 3.94Å; T49-F247 HydrophobicContact CG2-CE1 4.23Å; T49-F247 VanDerWaalsContact OG1-CE1 3.32Å; T49-F247 WeakPolarHBondContact OG1-CE1 3.4Å |
| 50 | W | 97.8 | Very high | 97.9 | Very high | 23 Ų | 23 | 9.5 Ų | 9.5 | 9% | 0.087 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -65 | -43.3 | 175 | -157.3 | -3.5 | 0 | 0 | 0 | 110.7 | G47 T48 E53 I54 Y185 M188 I189 L192 C219 M224 | G47-W50 VanDerWaalsContact O-CB 3.26Å; G47-W50 WeakPolarHBondContact O-CB 3.37Å; G47-W50 PolarHBondContact O-N 3.34Å; T48-W50 PolarHBondContact O-N 3.23Å; W50-E53 WeakPolarHBondContact O-CB 3.31Å; W50-E53 PolarHBondContact O-N 2.71Å; W50-E53 VanDerWaalsContact O-N 3.15Å; W50-I54 VanDerWaalsContact CD1-CD1 3.45Å; W50-I54 HydrophobicContact CG-CD1 3.98Å; W50-I54 VanDerWaalsContact O-CG1 3.29Å; W50-I54 WeakPolarHBondContact O-CG1 3.48Å; W50-I54 PolarHBondContact O-N 3.03Å; W50-Y185 HydrophobicContact CE3-CD2 4.08Å; W50-Y185 AromaticContact CE3-CE2 3.67Å; W50-Y185 HydrophobicContact CE3-CE2 3.67Å; W50-Y185 HydrophobicContact CZ3-CD2 4.23Å; W50-Y185 AromaticContact CZ3-CE2 3.82Å; W50-Y185 HydrophobicContact CZ3-CE2 3.82Å; W50-M188 HydrophobicContact CD2-CE 4.28Å; W50-M188 HydrophobicContact CD2-SD 4.29Å; W50-M188 HydrophobicContact CE3-CB 4.04Å; W50-M188 HydrophobicContact CE3-CE 3.61Å; W50-M188 HydrophobicContact CE3-SD 4.1Å; W50-M188 HydrophobicContact CH2-CB 3.67Å; W50-M188 HydrophobicContact CZ2-CB 4.31Å; W50-M188 HydrophobicContact CZ3-CB 3.52Å; W50-M188 HydrophobicContact CZ3-CE 4.11Å; W50-I189 HydrophobicContact CH2-CD1 3.65Å; W50-I189 HydrophobicContact CH2-CG1 4.14Å; W50-I189 HydrophobicContact CZ3-CD1 3.67Å; W50-I189 HydrophobicContact CZ3-CG1 3.95Å; W50-L192 HydrophobicContact CZ2-CD1 3.91Å; W50-L192 HydrophobicContact CZ2-CD2 4Å; W50-L192 HydrophobicContact CZ2-CG 4.41Å; W50-C219 PolarHBondContact NE1-O 2.83Å; W50-M224 HydrophobicContact CG-SD 4.24Å |
| 51 | M | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -69.3 | -34.7 | 175.1 | -64.4 | -55.1 | -53.5 | 0 | 0 | 113.4 | T40 G47 T48 T49 E53 I54 V55 I118 V120 M188 L199 | T40-M51 HydrophobicContact CG2-CB 3.44Å; T40-M51 VanDerWaalsContact CG2-CB 3.44Å; T40-M51 HydrophobicContact CG2-CG 3.71Å; G47-M51 PolarHBondContact O-N 3.45Å; T48-M51 CarbonylContact O-C 3.59Å; T48-M51 WeakPolarHBondContact O-CB 3.04Å; T48-M51 PolarHBondContact O-N 2.95Å; T49-M51 VanDerWaalsContact C-N 3.34Å; M51-E53 PolarHBondContact O-N 2.91Å; M51-I54 HydrophobicContact CE-CG2 4.44Å; M51-I54 PolarHBondContact O-N 2.74Å; M51-I54 HydrophobicContact SD-CD1 4.2Å; M51-V55 HydrophobicContact CE-CG2 3.61Å; M51-V55 WeakPolarHBondContact O-CB 3.3Å; M51-V55 WeakPolarHBondContact O-CG2 3.37Å; M51-V55 PolarHBondContact O-N 2.84Å; M51-I118 HydrophobicContact CE-CD1 4.25Å; M51-I118 HydrophobicContact CE-CG2 3.77Å; M51-V120 HydrophobicContact CG-CG2 3.67Å; M51-V120 HydrophobicContact SD-CG2 4Å; M51-M188 HydrophobicContact SD-SD 3.77Å; M51-L199 HydrophobicContact CE-CD1 3.9Å; M51-L199 HydrophobicContact CE-CD2 4.14Å |
| 52 | Q | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.6 | -30.5 | 171.3 | -68.6 | 178 | -58.5 | 0 | 0 | 111.3 | T48 T49 P56 N72 R75 V76 W78 V98 | T48-Q52 WeakPolarHBondContact O-CG 3.44Å; T48-Q52 PolarHBondContact O-N 3.33Å; T49-Q52 PolarHBondContact O-N 3.44Å; Q52-P56 VanDerWaalsContact O-CD 3.24Å; Q52-P56 WeakPolarHBondContact O-CD 3.4Å; Q52-P56 VanDerWaalsContact O-CG 3.22Å; Q52-P56 WeakPolarHBondContact O-CG 3.07Å; Q52-N72 HydrophobicContact CB-CB 4.16Å; Q52-N72 PolarHBondContact OE1-ND2 2.91Å; Q52-R75 PolarHBondContact O-NH1 2.85Å; Q52-V76 HydrophobicContact CB-CB 4.18Å; Q52-V76 HydrophobicContact CB-CG2 4.45Å; Q52-V76 HydrophobicContact CG-CB 3.95Å; Q52-V76 HydrophobicContact CG-CG1 4.05Å; Q52-V76 PolarHBondContact NE2-O 3.3Å; Q52-W78 VanDerWaalsContact CD-CH2 3.42Å; Q52-V98 HydrophobicContact CG-CG1 3.76Å; Q52-V98 HydrophobicContact CG-CG2 4.32Å |
| 53 | E | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -75.3 | -47.3 | 171.1 | -159.2 | 75.9 | 162.1 | 0 | 0 | 111.9 | T49 W50 M51 L57 V67 R75 H218 M224 N227 S230 | T49-E53 PolarHBondContact O-N 2.98Å; T49-E53 VanDerWaalsContact O-N 3.1Å; W50-E53 WeakPolarHBondContact O-CB 3.31Å; W50-E53 PolarHBondContact O-N 2.71Å; W50-E53 VanDerWaalsContact O-N 3.15Å; M51-E53 PolarHBondContact O-N 2.91Å; E53-L57 WeakPolarHBondContact O-CG 3.22Å; E53-V67 HydrophobicContact CG-CG1 4.37Å; E53-R75 IonicContact OE2-CZ 3.72Å; E53-R75 IonicContact OE2-NH1 3.93Å; E53-R75 IonicContact OE2-NH2 2.82Å; E53-R75 PolarHBondContact OE2-NH2 2.98Å; E53-H218 IonicContact OE1-CD2 2.6Å; E53-H218 IonicContact OE1-CE1 3.66Å; E53-H218 IonicContact OE1-NE2 3.92Å; E53-H218 PolarHBondContact OE1-NE2 3.08Å; E53-M224 HydrophobicContact CB-CE 3.54Å; E53-M224 HydrophobicContact CB-SD 3.92Å; E53-M224 HydrophobicContact CG-CE 3.94Å; E53-M224 HydrophobicContact CG-CG 4.21Å; E53-M224 HydrophobicContact CG-SD 4.05Å; E53-N227 PolarHBondContact OE1-ND2 3.06Å; E53-S230 VanDerWaalsContact CD-OG 3.3Å; E53-S230 PolarHBondContact OE1-OG 3.43Å; E53-S230 PolarHBondContact OE2-OG 3.13Å |
| 54 | I | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -70 | -53.6 | -171.9 | -70.8 | 163.2 | 0 | 0 | 0 | 113.1 | W50 M51 L57 V58 M188 L192 L196 L199 C219 | W50-I54 VanDerWaalsContact CD1-CD1 3.45Å; W50-I54 HydrophobicContact CG-CD1 3.98Å; W50-I54 VanDerWaalsContact O-CG1 3.29Å; W50-I54 WeakPolarHBondContact O-CG1 3.48Å; W50-I54 PolarHBondContact O-N 3.03Å; M51-I54 HydrophobicContact CE-CG2 4.44Å; M51-I54 PolarHBondContact O-N 2.74Å; M51-I54 HydrophobicContact SD-CD1 4.2Å; I54-L57 WeakPolarHBondContact O-CB 3.3Å; I54-L57 PolarHBondContact O-N 3.5Å; I54-L57 VanDerWaalsContact O-N 3.1Å; I54-V58 HydrophobicContact CG2-CG2 3.98Å; I54-V58 WeakPolarHBondContact O-CG2 3.05Å; I54-V58 PolarHBondContact O-N 2.91Å; I54-M188 HydrophobicContact CD1-SD 4.41Å; I54-L192 HydrophobicContact CD1-CD1 3.84Å; I54-L196 HydrophobicContact CB-CD2 4.45Å; I54-L196 HydrophobicContact CG1-CD2 4.34Å; I54-L196 HydrophobicContact CG2-CD2 3.43Å; I54-L196 VanDerWaalsContact CG2-CD2 3.43Å; I54-L199 HydrophobicContact CG2-CD1 3.71Å; I54-C219 HydrophobicContact CG1-CB 4.04Å |
| 55 | V | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.012 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -55 | -51.5 | -169.6 | 172.9 | 0 | 0 | 0 | 0 | 112.8 | I38 M51 L57 V58 L59 A96 I118 | I38-V55 HydrophobicContact CG2-CG1 4.13Å; M51-V55 HydrophobicContact CE-CG2 3.61Å; M51-V55 WeakPolarHBondContact O-CB 3.3Å; M51-V55 WeakPolarHBondContact O-CG2 3.37Å; M51-V55 PolarHBondContact O-N 2.84Å; V55-L57 VanDerWaalsContact C-N 3.29Å; V55-L57 PolarHBondContact O-N 3.35Å; V55-V58 PolarHBondContact O-N 3.26Å; V55-L59 HydrophobicContact CG1-CD1 3.78Å; V55-L59 HydrophobicContact CG1-CG 4.21Å; V55-L59 WeakPolarHBondContact O-CG 3.36Å; V55-L59 PolarHBondContact O-N 3.17Å; V55-A96 HydrophobicContact CG1-CB 3.89Å; V55-I118 HydrophobicContact CG2-CD1 3.83Å |
| 56 | P | 97.5 | Very high | 97.2 | Very high | 16 Ų | 16 | 19.7 Ų | 19.7 | 10% | 0.104 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.5 | -31 | 180 | 21.6 | -30.8 | 0 | 0 | 0 | 113.1 | Q52 V58 L59 N60 R75 V76 | Q52-P56 VanDerWaalsContact O-CD 3.24Å; Q52-P56 WeakPolarHBondContact O-CD 3.4Å; Q52-P56 VanDerWaalsContact O-CG 3.22Å; Q52-P56 WeakPolarHBondContact O-CG 3.07Å; P56-V58 VanDerWaalsContact C-N 3.33Å; P56-L59 PolarHBondContact O-N 2.9Å; P56-N60 WeakPolarHBondContact O-CB 3.23Å; P56-N60 PolarHBondContact O-N 3.04Å; P56-N60 PolarHBondContact O-OD1 3.1Å; P56-R75 HydrophobicContact CB-CG 4.37Å; P56-R75 HydrophobicContact CG-CG 4.26Å; P56-V76 HydrophobicContact CG-CG2 3.88Å |
| 57 | L | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.6 | -38 | 171.5 | -66.2 | 178.9 | 0 | 0 | 0 | 111.5 | E53 I54 V55 N60 G61 G62 D63 L64 V67 V215 | E53-L57 WeakPolarHBondContact O-CG 3.22Å; I54-L57 WeakPolarHBondContact O-CB 3.3Å; I54-L57 PolarHBondContact O-N 3.5Å; I54-L57 VanDerWaalsContact O-N 3.1Å; V55-L57 VanDerWaalsContact C-N 3.29Å; V55-L57 PolarHBondContact O-N 3.35Å; L57-N60 WeakPolarHBondContact CA-OD1 3.37Å; L57-N60 PolarHBondContact O-OD1 2.97Å; L57-N60 VanDerWaalsContact O-OD1 3.06Å; L57-G61 PolarHBondContact O-N 2.95Å; L57-G62 WeakPolarHBondContact O-CA 3.41Å; L57-G62 PolarHBondContact O-N 2.74Å; L57-D63 WeakPolarHBondContact CD2-O 3.42Å; L57-L64 HydrophobicContact CD1-CD2 4.05Å; L57-L64 HydrophobicContact CD2-CD2 3.79Å; L57-V67 HydrophobicContact CD1-CG1 4.19Å; L57-V67 HydrophobicContact CD1-CG2 4.43Å; L57-V67 HydrophobicContact CD2-CG1 3.82Å; L57-V67 HydrophobicContact CD2-CG2 3.92Å; L57-V67 HydrophobicContact CG-CG1 3.82Å; L57-V215 HydrophobicContact CB-CG1 4Å; L57-V215 HydrophobicContact CB-CG2 4.06Å; L57-V215 HydrophobicContact CD1-CG1 3.98Å; L57-V215 HydrophobicContact CD1-CG2 4.46Å |
| 58 | V | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.2 | -41.9 | 174.6 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | I54 V55 P56 L196 L203 R205 L207 | I54-V58 HydrophobicContact CG2-CG2 3.98Å; I54-V58 WeakPolarHBondContact O-CG2 3.05Å; I54-V58 PolarHBondContact O-N 2.91Å; V55-V58 PolarHBondContact O-N 3.26Å; P56-V58 VanDerWaalsContact C-N 3.33Å; V58-L196 HydrophobicContact CG2-CD2 4.02Å; V58-L203 HydrophobicContact CB-CD1 4.29Å; V58-L203 HydrophobicContact CG1-CD1 3.81Å; V58-R205 HydrophobicContact CG1-CB 4.38Å; V58-R205 HydrophobicContact CG1-CG 4.31Å; V58-R205 WeakPolarHBondContact O-CG 3.28Å; V58-L207 HydrophobicContact CB-CD1 4.48Å; V58-L207 HydrophobicContact CG1-CD1 4.27Å; V58-L207 HydrophobicContact CG2-CD1 4.47Å |
| 59 | L | 97.3 | Very high | 97.1 | Very high | 28 Ų | 28 | 27.8 Ų | 27.8 | 15% | 0.147 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.6 | -33 | -177.9 | -67.6 | 175.3 | 0 | 0 | 0 | 113.8 | I38 V55 P56 P94 A96 L203 | I38-L59 HydrophobicContact CG1-CD1 4.37Å; I38-L59 HydrophobicContact CG1-CD2 4.35Å; V55-L59 HydrophobicContact CG1-CD1 3.78Å; V55-L59 HydrophobicContact CG1-CG 4.21Å; V55-L59 WeakPolarHBondContact O-CG 3.36Å; V55-L59 PolarHBondContact O-N 3.17Å; P56-L59 PolarHBondContact O-N 2.9Å; L59-P94 HydrophobicContact CD1-CG 4.25Å; L59-P94 HydrophobicContact CD2-CG 3.91Å; L59-A96 HydrophobicContact CD1-CB 4.01Å; L59-L203 HydrophobicContact CD2-CD1 4.11Å |
| 60 | N | 96.2 | Very high | 97.1 | Very high | 59 Ų | 59 | 30.6 Ų | 30.6 | 32% | 0.316 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 7 | -174.2 | 78 | 0.7 | 0 | 0 | 0 | 114.8 | P56 L57 G62 D63 | P56-N60 WeakPolarHBondContact O-CB 3.23Å; P56-N60 PolarHBondContact O-N 3.04Å; P56-N60 PolarHBondContact O-OD1 3.1Å; L57-N60 WeakPolarHBondContact CA-OD1 3.37Å; L57-N60 PolarHBondContact O-OD1 2.97Å; L57-N60 VanDerWaalsContact O-OD1 3.06Å; N60-G62 PolarHBondContact OD1-N 3.41Å; N60-D63 PolarHBondContact ND2-O 3.01Å; N60-D63 PolarHBondContact OD1-N 3.46Å |
| 61 | G | 96.4 | Very high | 97.1 | Very high | 34 Ų | 34 | 30.6 Ų | 30.6 | 35% | 0.351 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 23.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L57 T211 R214 | L57-G61 PolarHBondContact O-N 2.95Å; G61-T211 VanDerWaalsContact O-CG2 3.3Å; G61-T211 WeakPolarHBondContact O-CG2 3.19Å; G61-R214 PolarHBondContact O-NH2 3.37Å |
| 62 | G | 96.8 | Very high | 97 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 77.2 | 25.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L57 N60 L64 R214 | L57-G62 WeakPolarHBondContact O-CA 3.41Å; L57-G62 PolarHBondContact O-N 2.74Å; N60-G62 PolarHBondContact OD1-N 3.41Å; G62-L64 PolarHBondContact O-N 3.08Å; G62-R214 PolarHBondContact O-NH2 3.1Å |
| 63 | D | 96.7 | Very high | 96.9 | Very high | 74 Ų | 74 | 33 Ų | 33 | 40% | 0.396 | 19% | 0.186 | S | C | . | . | trans | -73.7 | 116.8 | 170.7 | 172.5 | 18.4 | 0 | 0 | 0 | 109.5 | L57 N60 T65 P66 | L57-D63 WeakPolarHBondContact CD2-O 3.42Å; N60-D63 PolarHBondContact ND2-O 3.01Å; N60-D63 PolarHBondContact OD1-N 3.46Å; D63-T65 VanDerWaalsContact C-N 3.26Å; D63-T65 PolarHBondContact O-N 3.47Å; D63-T65 VanDerWaalsContact OD1-CB 3.29Å; D63-T65 WeakPolarHBondContact OD1-CB 3.31Å; D63-T65 PolarHBondContact OD1-N 3.34Å; D63-T65 PolarHBondContact OD1-OG1 2.85Å; D63-P66 VanDerWaalsContact O-CD 3.32Å; D63-P66 WeakPolarHBondContact O-CD 3.5Å | ||
| 64 | L | 96.5 | Very high | 96.9 | Very high | 38 Ų | 38 | 34.5 Ų | 34.5 | 20% | 0.199 | 19% | 0.194 | C | C | . | . | trans | -76.3 | -11.2 | -177.1 | -57.3 | -177.5 | 0 | 0 | 0 | 113.3 | L57 G62 V67 Q68 H218 | L57-L64 HydrophobicContact CD1-CD2 4.05Å; L57-L64 HydrophobicContact CD2-CD2 3.79Å; G62-L64 PolarHBondContact O-N 3.08Å; L64-V67 HydrophobicContact CB-CG2 4.18Å; L64-V67 HydrophobicContact CD2-CG2 4.29Å; L64-V67 WeakPolarHBondContact O-CG2 3.14Å; L64-V67 PolarHBondContact O-N 3.35Å; L64-Q68 HydrophobicContact CB-CG 4.43Å; L64-Q68 WeakPolarHBondContact O-CB 3.3Å; L64-Q68 WeakPolarHBondContact O-CG 3.41Å; L64-Q68 PolarHBondContact O-N 2.95Å; L64-Q68 VanDerWaalsContact O-N 3.08Å; L64-H218 HydrophobicContact CD2-CB 3.96Å | ||
| 65 | T | 96.5 | Very high | 96.8 | Very high | 75 Ų | 75 | 35.2 Ų | 35.2 | 46% | 0.46 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -54.4 | -48.9 | -174.2 | -52.7 | 0 | 0 | 0 | 0 | 112.7 | D63 V67 Q68 T69 | D63-T65 VanDerWaalsContact C-N 3.26Å; D63-T65 PolarHBondContact O-N 3.47Å; D63-T65 VanDerWaalsContact OD1-CB 3.29Å; D63-T65 WeakPolarHBondContact OD1-CB 3.31Å; D63-T65 PolarHBondContact OD1-N 3.34Å; D63-T65 PolarHBondContact OD1-OG1 2.85Å; T65-V67 PolarHBondContact O-N 3.04Å; T65-Q68 PolarHBondContact O-N 3.26Å; T65-T69 HydrophobicContact CG2-CG2 4.43Å; T65-T69 WeakPolarHBondContact O-CB 3.41Å; T65-T69 WeakPolarHBondContact O-CG2 3.48Å; T65-T69 PolarHBondContact O-N 3.45Å; T65-T69 VanDerWaalsContact O-N 3.15Å; T65-T69 PolarHBondContact O-OG1 2.98Å |
| 66 | P | 94.8 | Very high | 96.8 | Very high | 33 Ų | 33 | 35.2 Ų | 35.2 | 21% | 0.214 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.2 | -37.9 | -178.4 | -21.5 | 35.9 | 0 | 0 | 0 | 113 | D63 Q68 T69 I70 | D63-P66 VanDerWaalsContact O-CD 3.32Å; D63-P66 WeakPolarHBondContact O-CD 3.5Å; P66-Q68 VanDerWaalsContact C-N 3.26Å; P66-Q68 PolarHBondContact O-N 3.11Å; P66-T69 PolarHBondContact O-N 2.87Å; P66-I70 HydrophobicContact CB-CD1 4.45Å; P66-I70 WeakPolarHBondContact O-CB 3.5Å; P66-I70 PolarHBondContact O-N 3.06Å |
| 67 | V | 96.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.1 | -22.5 | 179.7 | -63.5 | 0 | 0 | 0 | 0 | 112.7 | E53 L57 L64 T65 N227 M229 | E53-V67 HydrophobicContact CG-CG1 4.37Å; L57-V67 HydrophobicContact CD1-CG1 4.19Å; L57-V67 HydrophobicContact CD1-CG2 4.43Å; L57-V67 HydrophobicContact CD2-CG1 3.82Å; L57-V67 HydrophobicContact CD2-CG2 3.92Å; L57-V67 HydrophobicContact CG-CG1 3.82Å; L64-V67 HydrophobicContact CB-CG2 4.18Å; L64-V67 HydrophobicContact CD2-CG2 4.29Å; L64-V67 WeakPolarHBondContact O-CG2 3.14Å; L64-V67 PolarHBondContact O-N 3.35Å; T65-V67 PolarHBondContact O-N 3.04Å; V67-N227 PolarHBondContact O-ND2 3.36Å; V67-M229 VanDerWaalsContact O-CB 3.31Å; V67-M229 WeakPolarHBondContact O-CB 3.28Å |
| 68 | Q | 96.4 | Very high | 96.8 | Very high | 102 Ų | 102 | 35.2 Ų | 35.2 | 48% | 0.477 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -93.5 | -15.4 | 179.5 | -70.6 | 175.8 | -16.5 | 0 | 0 | 113.5 | L64 T65 P66 M229 | L64-Q68 HydrophobicContact CB-CG 4.43Å; L64-Q68 WeakPolarHBondContact O-CB 3.3Å; L64-Q68 WeakPolarHBondContact O-CG 3.41Å; L64-Q68 PolarHBondContact O-N 2.95Å; L64-Q68 VanDerWaalsContact O-N 3.08Å; T65-Q68 PolarHBondContact O-N 3.26Å; P66-Q68 VanDerWaalsContact C-N 3.26Å; P66-Q68 PolarHBondContact O-N 3.11Å; Q68-M229 WeakPolarHBondContact O-CG 3.23Å |
| 69 | T | 96.8 | Very high | 96.8 | Very high | 87 Ų | 87 | 35.4 Ų | 35.4 | 53% | 0.534 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -121.4 | -20.6 | -172.4 | 58.8 | 0 | 0 | 0 | 0 | 114.5 | T65 P66 | T65-T69 HydrophobicContact CG2-CG2 4.43Å; T65-T69 WeakPolarHBondContact O-CB 3.41Å; T65-T69 WeakPolarHBondContact O-CG2 3.48Å; T65-T69 PolarHBondContact O-N 3.45Å; T65-T69 VanDerWaalsContact O-N 3.15Å; T65-T69 PolarHBondContact O-OG1 2.98Å; P66-T69 PolarHBondContact O-N 2.87Å |
| 70 | I | 96.8 | Very high | 96.9 | Very high | 71 Ų | 71 | 34 Ų | 34 | 36% | 0.364 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -120.3 | 125.5 | -176.3 | -53.7 | 173.8 | 0 | 0 | 0 | 109.1 | P66 D74 R75 | P66-I70 HydrophobicContact CB-CD1 4.45Å; P66-I70 WeakPolarHBondContact O-CB 3.5Å; P66-I70 PolarHBondContact O-N 3.06Å; I70-D74 HydrophobicContact CG2-CB 3.65Å; I70-R75 HydrophobicContact CB-CB 4.39Å; I70-R75 HydrophobicContact CG2-CB 3.95Å |
| 71 | P | 97.3 | Very high | 97 | Very high | 23 Ų | 23 | 32.7 Ų | 32.7 | 15% | 0.149 | 18% | 0.181 | C | C | . | . | trans | -53.3 | 144 | 175 | -25.5 | 34.1 | 0 | 0 | 0 | 112.3 | W73 D74 R75 M229 L234 | P71-W73 VanDerWaalsContact C-N 3.26Å; P71-W73 HydrophobicContact CB-CD2 4Å; P71-W73 VanDerWaalsContact CB-CE2 3.47Å; P71-W73 HydrophobicContact CB-CG 4.37Å; P71-W73 HydrophobicContact CB-CH2 4.38Å; P71-W73 HydrophobicContact CB-CZ2 3.71Å; P71-W73 HydrophobicContact CG-CZ2 4.32Å; P71-W73 PolarHBondContact O-N 3.47Å; P71-D74 WeakPolarHBondContact O-CB 3.37Å; P71-D74 PolarHBondContact O-N 2.87Å; P71-R75 PolarHBondContact O-N 3.01Å; P71-M229 CarbonylContact C-O 3.55Å; P71-M229 WeakPolarHBondContact CA-O 3.33Å; P71-M229 HydrophobicContact CG-SD 3.89Å; P71-L234 HydrophobicContact CG-CD1 4.13Å | ||
| 72 | N | 96.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.4 | -38.3 | -177.8 | 64 | -47.4 | 0 | 0 | 0 | 113.2 | Q52 D74 R75 V76 M229 Y232 | Q52-N72 HydrophobicContact CB-CB 4.16Å; Q52-N72 PolarHBondContact OE1-ND2 2.91Å; N72-D74 VanDerWaalsContact C-N 3.26Å; N72-D74 PolarHBondContact O-N 3.06Å; N72-R75 PolarHBondContact O-N 2.82Å; N72-V76 CarbonylContact O-C 3.57Å; N72-V76 PolarHBondContact O-N 2.87Å; N72-M229 PolarHBondContact N-O 2.62Å; N72-M229 PolarHBondContact OD1-O 2.91Å; N72-Y232 WeakPolarHBondContact ND2-CE2 3.3Å; N72-Y232 PolarHBondContact ND2-OH 2.6Å |
| 73 | W | 96.1 | Very high | 97.1 | Very high | 49 Ų | 49 | 38.5 Ų | 38.5 | 19% | 0.186 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.7 | -15 | 177.1 | 53.5 | 77 | 0 | 0 | 0 | 114.7 | P71 P77 W78 Y232 L234 V235 | P71-W73 VanDerWaalsContact C-N 3.26Å; P71-W73 HydrophobicContact CB-CD2 4Å; P71-W73 VanDerWaalsContact CB-CE2 3.47Å; P71-W73 HydrophobicContact CB-CG 4.37Å; P71-W73 HydrophobicContact CB-CH2 4.38Å; P71-W73 HydrophobicContact CB-CZ2 3.71Å; P71-W73 HydrophobicContact CG-CZ2 4.32Å; P71-W73 PolarHBondContact O-N 3.47Å; W73-P77 WeakPolarHBondContact O-CA 3.13Å; W73-P77 WeakPolarHBondContact O-CB 3.26Å; W73-W78 HydrophobicContact CB-CZ3 4.03Å; W73-Y232 HydrophobicContact CE3-CD1 4.1Å; W73-Y232 AromaticContact CE3-CE1 3.79Å; W73-Y232 HydrophobicContact CE3-CE1 3.79Å; W73-Y232 AromaticContact CZ3-CD1 3.58Å; W73-Y232 HydrophobicContact CZ3-CD1 3.58Å; W73-Y232 AromaticContact CZ3-CE1 3.77Å; W73-Y232 HydrophobicContact CZ3-CE1 3.77Å; W73-Y232 AromaticContact CZ3-CG 3.99Å; W73-Y232 HydrophobicContact CZ3-CG 3.99Å; W73-L234 HydrophobicContact CH2-CB 4.1Å; W73-L234 HydrophobicContact CZ2-CB 4.28Å; W73-V235 HydrophobicContact CH2-CG2 3.7Å; W73-V235 HydrophobicContact CZ2-CG2 4.45Å; W73-V235 HydrophobicContact CZ3-CG2 3.92Å |
| 74 | D | 97 | Very high | 97.1 | Very high | 32 Ų | 32 | 35 Ų | 35 | 17% | 0.171 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -93.5 | -35.8 | 172.8 | -73.7 | -5.9 | 0 | 0 | 0 | 111.8 | I70 P71 N72 R83 | I70-D74 HydrophobicContact CG2-CB 3.65Å; P71-D74 WeakPolarHBondContact O-CB 3.37Å; P71-D74 PolarHBondContact O-N 2.87Å; N72-D74 VanDerWaalsContact C-N 3.26Å; N72-D74 PolarHBondContact O-N 3.06Å; D74-R83 IonicContact OD1-CZ 2.61Å; D74-R83 IonicContact OD1-NE 3.53Å; D74-R83 PolarHBondContact OD1-NE 2.84Å; D74-R83 IonicContact OD1-NH2 2.7Å; D74-R83 PolarHBondContact OD1-NH2 2.94Å; D74-R83 IonicContact OD2-CZ 3.62Å; D74-R83 IonicContact OD2-NH2 3.55Å; D74-R83 PolarHBondContact OD2-NH2 2.75Å |
| 75 | R | 96.1 | Very high | 97 | Very high | 16 Ų | 16 | 35.2 Ų | 35.2 | 6% | 0.06 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -78.4 | -37.6 | -176.5 | -178.5 | 164.9 | 47.3 | 90.4 | -1.4 | 112.8 | Q52 E53 P56 I70 P71 N72 | Q52-R75 PolarHBondContact O-NH1 2.85Å; E53-R75 IonicContact OE2-CZ 3.72Å; E53-R75 IonicContact OE2-NH1 3.93Å; E53-R75 IonicContact OE2-NH2 2.82Å; E53-R75 PolarHBondContact OE2-NH2 2.98Å; P56-R75 HydrophobicContact CB-CG 4.37Å; P56-R75 HydrophobicContact CG-CG 4.26Å; I70-R75 HydrophobicContact CB-CB 4.39Å; I70-R75 HydrophobicContact CG2-CB 3.95Å; P71-R75 PolarHBondContact O-N 3.01Å; N72-R75 PolarHBondContact O-N 2.82Å |
| 76 | V | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -140.3 | 75.8 | 179.5 | -172 | 0 | 0 | 0 | 0 | 107.9 | Q52 P56 N72 A96 V98 | Q52-V76 HydrophobicContact CB-CB 4.18Å; Q52-V76 HydrophobicContact CB-CG2 4.45Å; Q52-V76 HydrophobicContact CG-CB 3.95Å; Q52-V76 HydrophobicContact CG-CG1 4.05Å; Q52-V76 PolarHBondContact NE2-O 3.3Å; P56-V76 HydrophobicContact CG-CG2 3.88Å; N72-V76 CarbonylContact O-C 3.57Å; N72-V76 PolarHBondContact O-N 2.87Å; V76-A96 HydrophobicContact CG1-CB 4.16Å; V76-A96 HydrophobicContact CG2-CB 4.21Å; V76-V98 HydrophobicContact CG1-CG1 3.86Å |
| 77 | P | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -68.3 | 157.3 | -172.4 | 31.1 | -39.3 | 0 | 0 | 0 | 112.8 | W73 A84 V87 L88 L91 M97 V98 | W73-P77 WeakPolarHBondContact O-CA 3.13Å; W73-P77 WeakPolarHBondContact O-CB 3.26Å; P77-A84 HydrophobicContact CB-CB 4.22Å; P77-V87 HydrophobicContact CB-CG2 3.8Å; P77-V87 HydrophobicContact CG-CG2 3.75Å; P77-L88 HydrophobicContact CG-CB 4.32Å; P77-L88 HydrophobicContact CG-CD1 4.03Å; P77-L91 HydrophobicContact CG-CD1 4.38Å; P77-M97 WeakPolarHBondContact O-CA 3.46Å; P77-V98 WeakPolarHBondContact O-CG2 3.33Å; P77-V98 PolarHBondContact O-N 3.07Å | ||
| 78 | W | 98.7 | Very high | 97 | Very high | 17 Ų | 17 | 35.4 Ų | 35.4 | 6% | 0.064 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -75.5 | 123.8 | 165.7 | -78 | -98.4 | 0 | 0 | 0 | 110.4 | T48 Q52 W73 E80 E81 A84 V98 H100 Y232 | T48-W78 HydrophobicContact CG2-CZ2 3.84Å; Q52-W78 VanDerWaalsContact CD-CH2 3.42Å; W73-W78 HydrophobicContact CB-CZ3 4.03Å; W78-E80 VanDerWaalsContact C-N 3.26Å; W78-E80 PolarHBondContact O-N 2.89Å; W78-E81 HydrophobicContact CB-CB 3.88Å; W78-E81 HydrophobicContact CB-CG 3.58Å; W78-E81 HydrophobicContact CG-CG 4.28Å; W78-E81 PolarHBondContact O-N 3.38Å; W78-E81 VanDerWaalsContact O-N 3.11Å; W78-A84 VanDerWaalsContact O-CB 3.23Å; W78-A84 WeakPolarHBondContact O-CB 3.43Å; W78-V98 CarbonylContact C-O 3.53Å; W78-V98 VanDerWaalsContact CA-O 3.31Å; W78-V98 WeakPolarHBondContact CA-O 3.23Å; W78-V98 HydrophobicContact CB-CG2 4.3Å; W78-V98 HydrophobicContact CD2-CG2 3.51Å; W78-V98 HydrophobicContact CE3-CG2 4.12Å; W78-V98 HydrophobicContact CG-CG2 3.61Å; W78-V98 HydrophobicContact CZ2-CG2 4.09Å; W78-H100 AromaticContact CD1-CD2 3.61Å; W78-H100 AromaticContact CD1-NE2 3.89Å; W78-H100 AromaticContact CE2-NE2 4Å; W78-H100 AromaticContact NE1-CD2 3.28Å; W78-H100 PolarHBondContact NE1-CD2 3.23Å; W78-H100 VanDerWaalsContact NE1-CD2 3.28Å; W78-H100 AromaticContact NE1-CE1 3.8Å; W78-H100 AromaticContact NE1-NE2 3.05Å; W78-H100 PolarHBondContact NE1-NE2 3.05Å; W78-Y232 WeakPolarHBondContact CH2-OH 3.42Å |
| 79 | L | 98.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -45.2 | -176.6 | 177.9 | 65.1 | 0 | 0 | 0 | 112.4 | A28 I31 F39 E81 L88 M97 V98 P107 | A28-L79 HydrophobicContact CB-CD1 4.46Å; A28-L79 HydrophobicContact CB-CD2 4.44Å; A28-L79 HydrophobicContact CB-CG 3.91Å; A28-L79 WeakPolarHBondContact CB-O 3.38Å; I31-L79 HydrophobicContact CD1-CD1 3.79Å; I31-L79 HydrophobicContact CG2-CD1 4.13Å; F39-L79 HydrophobicContact CE1-CD2 4.17Å; L79-E81 VanDerWaalsContact C-N 3.31Å; L79-E81 PolarHBondContact O-N 3.48Å; L79-L88 HydrophobicContact CD1-CD2 4.06Å; L79-M97 HydrophobicContact CD1-SD 4.05Å; L79-V98 PolarHBondContact N-O 3.01Å; L79-P107 HydrophobicContact CD2-CG 4.05Å |
| 80 | E | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -9.4 | -176.3 | 61.8 | -89.2 | -159.3 | 0 | 0 | 114.9 | H20 S24 F25 W78 S99 H100 M101 F161 | H20-E80 PolarHBondContact CD2-O 3.4Å; H20-E80 WeakPolarHBondContact NE2-CG 3.35Å; S24-E80 WeakPolarHBondContact CB-O 2.97Å; S24-E80 PolarHBondContact OG-O 3.48Å; F25-E80 HydrophobicContact CD1-CB 4.39Å; F25-E80 HydrophobicContact CE1-CB 4.3Å; W78-E80 VanDerWaalsContact C-N 3.26Å; W78-E80 PolarHBondContact O-N 2.89Å; E80-S99 WeakPolarHBondContact OE2-CA 3.4Å; E80-S99 VanDerWaalsContact OE2-CB 3.3Å; E80-S99 WeakPolarHBondContact OE2-CB 3.5Å; E80-S99 PolarHBondContact OE2-OG 3.39Å; E80-H100 WeakPolarHBondContact OE1-CB 3.5Å; E80-H100 PolarHBondContact OE1-N 2.89Å; E80-M101 HydrophobicContact CB-CE 3.41Å; E80-M101 VanDerWaalsContact CB-CE 3.41Å; E80-M101 HydrophobicContact CB-CG 4.26Å; E80-M101 HydrophobicContact CG-CE 3.84Å; E80-M101 HydrophobicContact CG-CG 4.45Å; E80-F161 HydrophobicContact CG-CE1 4.41Å; E80-F161 HydrophobicContact CG-CZ 4.4Å |
| 81 | E | 98.3 | Very high | 96.4 | Very high | 30 Ų | 30 | 40.5 Ų | 40.5 | 14% | 0.14 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -92.4 | 154.2 | -176.6 | -70.6 | -167.9 | 159 | 0 | 0 | 112.6 | T19 H20 S24 W78 L79 R83 A84 | T19-E81 VanDerWaalsContact CB-CD 3.5Å; T19-E81 VanDerWaalsContact CB-OE1 3.24Å; T19-E81 WeakPolarHBondContact CB-OE1 3.47Å; T19-E81 WeakPolarHBondContact O-CA 3.5Å; T19-E81 PolarHBondContact OG1-OE1 3.27Å; H20-E81 IonicContact CE1-OE1 3.93Å; S24-E81 VanDerWaalsContact CB-C 3.49Å; W78-E81 HydrophobicContact CB-CB 3.88Å; W78-E81 HydrophobicContact CB-CG 3.58Å; W78-E81 HydrophobicContact CG-CG 4.28Å; W78-E81 PolarHBondContact O-N 3.38Å; W78-E81 VanDerWaalsContact O-N 3.11Å; L79-E81 VanDerWaalsContact C-N 3.31Å; L79-E81 PolarHBondContact O-N 3.48Å; E81-R83 PolarHBondContact O-N 2.95Å; E81-A84 PolarHBondContact O-N 3.49Å |
| 82 | T | 97.9 | Very high | 96.2 | Very high | 62 Ų | 62 | 44.6 Ų | 44.6 | 38% | 0.38 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -27.3 | 179.6 | -54.3 | 0 | 0 | 0 | 0 | 112.1 | T19 S21 | T19-T82 PolarHBondContact O-N 3.44Å; T19-T82 PolarHBondContact O-OG1 2.94Å; T19-T82 VanDerWaalsContact O-OG1 3.06Å; S21-T82 PolarHBondContact OG-OG1 3.46Å |
| 83 | R | 96.8 | Very high | 96.1 | Very high | 95 Ų | 95 | 48.1 Ų | 48.1 | 36% | 0.358 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -34.7 | 179.4 | -165.9 | 59.4 | 173.4 | -171.6 | -1.7 | 113.1 | D74 E81 A85 L86 V87 | D74-R83 IonicContact OD1-CZ 2.61Å; D74-R83 IonicContact OD1-NE 3.53Å; D74-R83 PolarHBondContact OD1-NE 2.84Å; D74-R83 IonicContact OD1-NH2 2.7Å; D74-R83 PolarHBondContact OD1-NH2 2.94Å; D74-R83 IonicContact OD2-CZ 3.62Å; D74-R83 IonicContact OD2-NH2 3.55Å; D74-R83 PolarHBondContact OD2-NH2 2.75Å; E81-R83 PolarHBondContact O-N 2.95Å; R83-A85 VanDerWaalsContact C-N 3.34Å; R83-A85 PolarHBondContact O-N 3.33Å; R83-L86 WeakPolarHBondContact O-CB 3.37Å; R83-L86 PolarHBondContact O-N 2.91Å; R83-V87 PolarHBondContact O-N 3.35Å |
| 84 | A | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.7 | -44.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y27 P77 W78 E81 L86 V87 L88 | Y27-A84 HydrophobicContact CD1-CB 4.36Å; Y27-A84 HydrophobicContact CE1-CB 3.95Å; P77-A84 HydrophobicContact CB-CB 4.22Å; W78-A84 VanDerWaalsContact O-CB 3.23Å; W78-A84 WeakPolarHBondContact O-CB 3.43Å; E81-A84 PolarHBondContact O-N 3.49Å; A84-L86 PolarHBondContact O-N 3.2Å; A84-V87 PolarHBondContact O-N 2.92Å; A84-V87 VanDerWaalsContact O-N 3.1Å; A84-L88 HydrophobicContact CB-CB 4.47Å; A84-L88 HydrophobicContact CB-CD2 4.37Å; A84-L88 WeakPolarHBondContact O-CB 3.47Å; A84-L88 PolarHBondContact O-N 2.95Å |
| 85 | A | 95.1 | Very high | 96.1 | Very high | 43 Ų | 43 | 46.4 Ų | 46.4 | 36% | 0.355 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.3 | -20 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y27 R83 | Y27-A85 HydrophobicContact CD1-CB 3.96Å; Y27-A85 HydrophobicContact CD2-CB 3.82Å; Y27-A85 HydrophobicContact CE1-CB 4.29Å; Y27-A85 HydrophobicContact CE2-CB 4.17Å; Y27-A85 HydrophobicContact CG-CB 3.72Å; R83-A85 VanDerWaalsContact C-N 3.34Å; R83-A85 PolarHBondContact O-N 3.33Å |
| 86 | L | 95.5 | Very high | 96.2 | Very high | 91 Ų | 91 | 46 Ų | 46 | 48% | 0.476 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -92.2 | -26.7 | -179.5 | -57.8 | 178.8 | 0 | 0 | 0 | 113.3 | R83 A84 R90 | R83-L86 WeakPolarHBondContact O-CB 3.37Å; R83-L86 PolarHBondContact O-N 2.91Å; A84-L86 PolarHBondContact O-N 3.2Å; L86-R90 PolarHBondContact O-NE 3.4Å |
| 87 | V | 96.4 | Very high | 96.2 | Very high | 21 Ų | 21 | 46 Ų | 46 | 13% | 0.127 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -123.6 | -32 | -166.1 | -53.8 | 0 | 0 | 0 | 0 | 113.8 | P77 R83 A84 D89 R90 L91 | P77-V87 HydrophobicContact CB-CG2 3.8Å; P77-V87 HydrophobicContact CG-CG2 3.75Å; R83-V87 PolarHBondContact O-N 3.35Å; A84-V87 PolarHBondContact O-N 2.92Å; A84-V87 VanDerWaalsContact O-N 3.1Å; V87-D89 PolarHBondContact O-N 3.28Å; V87-R90 WeakPolarHBondContact O-CB 3.28Å; V87-R90 PolarHBondContact O-N 2.96Å; V87-L91 PolarHBondContact O-N 2.82Å |
| 88 | L | 94.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -66.4 | -38.8 | -166.3 | -173.3 | 56.2 | 0 | 0 | 0 | 112.8 | Y27 I31 P77 L79 A84 R90 L91 R95 M97 | Y27-L88 HydrophobicContact CE1-CD2 4.34Å; I31-L88 HydrophobicContact CD1-CD2 3.29Å; I31-L88 HydrophobicContact CD1-CG 4.18Å; P77-L88 HydrophobicContact CG-CB 4.32Å; P77-L88 HydrophobicContact CG-CD1 4.03Å; L79-L88 HydrophobicContact CD1-CD2 4.06Å; A84-L88 HydrophobicContact CB-CB 4.47Å; A84-L88 HydrophobicContact CB-CD2 4.37Å; A84-L88 WeakPolarHBondContact O-CB 3.47Å; A84-L88 PolarHBondContact O-N 2.95Å; L88-R90 PolarHBondContact O-N 3.36Å; L88-L91 HydrophobicContact CD1-CD1 3.92Å; L88-L91 PolarHBondContact O-N 3.46Å; L88-R95 HydrophobicContact CD1-CB 4.21Å; L88-M97 HydrophobicContact CD1-CB 4.27Å; L88-M97 HydrophobicContact CD1-CE 3.87Å; L88-M97 HydrophobicContact CD1-SD 4.34Å; L88-M97 HydrophobicContact CD2-CE 4.14Å; L88-M97 HydrophobicContact CD2-SD 3.83Å; L88-M97 HydrophobicContact CG-CE 4.46Å |
| 89 | D | 90.5 | Very high | 96.2 | Very high | 114 Ų | 114 | 45.2 Ų | 45.2 | 61% | 0.61 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -68.4 | -11.2 | 175.6 | -65.1 | -10 | 0 | 0 | 0 | 113.5 | Y27 V87 | Y27-D89 PolarHBondContact OH-OD1 2.88Å; V87-D89 PolarHBondContact O-N 3.28Å |
| 90 | R | 93.1 | Very high | 96.2 | Very high | 213 Ų | 213 | 46 Ų | 46 | 80% | 0.804 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -102.1 | -8.2 | 179.1 | -54.7 | 178 | -175 | 177.3 | 3.5 | 112.6 | L86 V87 L88 | L86-R90 PolarHBondContact O-NE 3.4Å; V87-R90 WeakPolarHBondContact O-CB 3.28Å; V87-R90 PolarHBondContact O-N 2.96Å; L88-R90 PolarHBondContact O-N 3.36Å |
| 91 | L | 94.2 | Very high | 96.2 | Very high | 40 Ų | 40 | 46.3 Ų | 46.3 | 21% | 0.209 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -74.1 | 140.5 | 178.4 | -64.8 | -174.6 | 0 | 0 | 0 | 110.2 | P77 V87 L88 R95 | P77-L91 HydrophobicContact CG-CD1 4.38Å; V87-L91 PolarHBondContact O-N 2.82Å; L88-L91 HydrophobicContact CD1-CD1 3.92Å; L88-L91 PolarHBondContact O-N 3.46Å; L91-R95 HydrophobicContact CB-CG 4.24Å |
| 92 | P | 92.7 | Very high | 96.2 | Very high | 108 Ų | 108 | 45.3 Ų | 45.3 | 70% | 0.701 | 24% | 0.241 | S | C | * | . | P | Polyproline II helix | trans | -68.8 | 145.4 | 173.4 | 30 | -34.3 | 0 | 0 | 0 | 110.6 | P94 | P92-P94 CarbonylContact O-C 3.3Å; P92-P94 VanDerWaalsContact O-C 3.3Å |
| 93 | S | 93.7 | Very high | 96.3 | Very high | 74 Ų | 74 | 43.7 Ų | 43.7 | 52% | 0.517 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -71.4 | 142.9 | 171.5 | -51.8 | 0 | 0 | 0 | 0 | 110.9 | E34 | E34-S93 PolarHBondContact OE2-OG 3.22Š|
| 94 | P | 96.3 | Very high | 96.3 | Very high | 33 Ų | 33 | 45.3 Ų | 45.3 | 21% | 0.214 | 24% | 0.239 | C | C | . | . | S | Bend | cis | -70.6 | 132.3 | -5 | 29.8 | -34.6 | 0 | 0 | 0 | 111.9 | E36 I38 L59 P92 R205 | E36-P94 HydrophobicContact CB-CB 4.16Å; E36-P94 WeakPolarHBondContact O-CB 3.5Å; I38-P94 HydrophobicContact CG1-CB 4.34Å; L59-P94 HydrophobicContact CD1-CG 4.25Å; L59-P94 HydrophobicContact CD2-CG 3.91Å; P92-P94 CarbonylContact O-C 3.3Å; P92-P94 VanDerWaalsContact O-C 3.3Å; P94-R205 VanDerWaalsContact CG-NH2 3.26Å |
| 95 | R | 97.6 | Very high | 96.3 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 5% | 0.049 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 133.5 | 176.6 | -51.8 | 177.9 | -64.6 | -177.9 | -3.8 | 108.5 | K32 D37 I38 L88 L91 M97 | K32-R95 PolarHBondContact O-NH2 3.38Å; D37-R95 WeakPolarHBondContact OD1-CB 3.33Å; D37-R95 IonicContact OD1-CZ 3.78Å; D37-R95 IonicContact OD1-NE 2.67Å; D37-R95 PolarHBondContact OD1-NE 3.14Å; D37-R95 IonicContact OD1-NH2 3.54Å; D37-R95 PolarHBondContact OD1-NH2 3.5Å; D37-R95 IonicContact OD2-CZ 3.72Å; D37-R95 IonicContact OD2-NE 2.86Å; D37-R95 IonicContact OD2-NH2 2.62Å; D37-R95 PolarHBondContact OD2-NH2 2.67Å; I38-R95 PolarHBondContact N-O 3.21Å; L88-R95 HydrophobicContact CD1-CB 4.21Å; L91-R95 HydrophobicContact CB-CG 4.24Å; R95-M97 HydrophobicContact CB-CE 4.09Å |
| 96 | A | 98 | Very high | 96.5 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 7% | 0.066 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 129.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109 | V55 L59 V76 | V55-A96 HydrophobicContact CG1-CB 3.89Å; L59-A96 HydrophobicContact CD1-CB 4.01Å; V76-A96 HydrophobicContact CG1-CB 4.16Å; V76-A96 HydrophobicContact CG2-CB 4.21Å |
| 97 | M | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 159.3 | 175.6 | 64.1 | -162.9 | 89 | 0 | 0 | 110.6 | D37 I38 F39 T40 P77 L79 L88 R95 | D37-M97 HydrophobicContact CB-CE 4.13Å; I38-M97 PolarHBondContact O-N 3.15Å; F39-M97 WeakPolarHBondContact CA-O 3.14Å; F39-M97 HydrophobicContact CD1-CG 3.66Å; F39-M97 HydrophobicContact CD1-SD 3.98Å; F39-M97 HydrophobicContact CE1-CE 4.33Å; F39-M97 HydrophobicContact CE1-CG 3.65Å; F39-M97 HydrophobicContact CE1-SD 3.3Å; F39-M97 WeakPolarHBondContact CE1-SD 3.44Å; F39-M97 HydrophobicContact CG-CG 4.34Å; F39-M97 HydrophobicContact CZ-CE 4.13Å; F39-M97 HydrophobicContact CZ-CG 4.31Å; F39-M97 HydrophobicContact CZ-SD 3.65Å; T40-M97 PolarHBondContact N-O 2.79Å; P77-M97 WeakPolarHBondContact O-CA 3.46Å; L79-M97 HydrophobicContact CD1-SD 4.05Å; L88-M97 HydrophobicContact CD1-CB 4.27Å; L88-M97 HydrophobicContact CD1-CE 3.87Å; L88-M97 HydrophobicContact CD1-SD 4.34Å; L88-M97 HydrophobicContact CD2-CE 4.14Å; L88-M97 HydrophobicContact CD2-SD 3.83Å; L88-M97 HydrophobicContact CG-CE 4.46Å; R95-M97 HydrophobicContact CB-CE 4.09Å |
| 98 | V | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 159.9 | 174.1 | -72.4 | 0 | 0 | 0 | 0 | 110.8 | T40 T48 Q52 V76 P77 W78 L79 | T40-V98 HydrophobicContact CG2-CG1 4.09Å; T40-V98 CarbonylContact O-C 3.56Å; T40-V98 WeakPolarHBondContact O-CA 3.36Å; T48-V98 HydrophobicContact CG2-CB 3.83Å; T48-V98 HydrophobicContact CG2-CG1 3.73Å; T48-V98 HydrophobicContact CG2-CG2 4.14Å; Q52-V98 HydrophobicContact CG-CG1 3.76Å; Q52-V98 HydrophobicContact CG-CG2 4.32Å; V76-V98 HydrophobicContact CG1-CG1 3.86Å; P77-V98 WeakPolarHBondContact O-CG2 3.33Å; P77-V98 PolarHBondContact O-N 3.07Å; W78-V98 CarbonylContact C-O 3.53Å; W78-V98 VanDerWaalsContact CA-O 3.31Å; W78-V98 WeakPolarHBondContact CA-O 3.23Å; W78-V98 HydrophobicContact CB-CG2 4.3Å; W78-V98 HydrophobicContact CD2-CG2 3.51Å; W78-V98 HydrophobicContact CE3-CG2 4.12Å; W78-V98 HydrophobicContact CG-CG2 3.61Å; W78-V98 HydrophobicContact CZ2-CG2 4.09Å; L79-V98 PolarHBondContact N-O 3.01Å |
| 99 | S | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 153.8 | 169.5 | -170.5 | 0 | 0 | 0 | 0 | 111.7 | T40 V41 T42 E80 M101 | T40-S99 PolarHBondContact O-N 3.48Å; V41-S99 WeakPolarHBondContact CA-O 3.37Å; V41-S99 WeakPolarHBondContact CG1-O 3.47Å; T42-S99 PolarHBondContact N-O 2.71Å; T42-S99 VanDerWaalsContact N-O 3.13Å; E80-S99 WeakPolarHBondContact OE2-CA 3.4Å; E80-S99 VanDerWaalsContact OE2-CB 3.3Å; E80-S99 WeakPolarHBondContact OE2-CB 3.5Å; E80-S99 PolarHBondContact OE2-OG 3.39Å; S99-M101 WeakPolarHBondContact OG-CB 3.22Å; S99-M101 PolarHBondContact OG-N 2.81Å |
| 100 | H | 98.8 | Very high | 97.2 | Very high | 19 Ų | 19 | 40.2 Ų | 40.2 | 9% | 0.088 | 21% | 0.214 | C | C | . | . | trans | -108.3 | 7.8 | 167.8 | -66.8 | -45.6 | 0 | 0 | 0 | 112.7 | T42 P44 T48 W78 E80 F161 H167 | T42-H100 WeakPolarHBondContact O-CA 3.43Å; T42-H100 PolarHBondContact O-ND1 3.13Å; T42-H100 PolarHBondContact OG1-CE1 2.65Å; T42-H100 PolarHBondContact OG1-ND1 2.87Å; P44-H100 HydrophobicContact CG-CB 4.22Å; T48-H100 PolarHBondContact OG1-CE1 3.16Å; T48-H100 VanDerWaalsContact OG1-CE1 3.3Å; W78-H100 AromaticContact CD1-CD2 3.61Å; W78-H100 AromaticContact CD1-NE2 3.89Å; W78-H100 AromaticContact CE2-NE2 4Å; W78-H100 AromaticContact NE1-CD2 3.28Å; W78-H100 PolarHBondContact NE1-CD2 3.23Å; W78-H100 VanDerWaalsContact NE1-CD2 3.28Å; W78-H100 AromaticContact NE1-CE1 3.8Å; W78-H100 AromaticContact NE1-NE2 3.05Å; W78-H100 PolarHBondContact NE1-NE2 3.05Å; E80-H100 WeakPolarHBondContact OE1-CB 3.5Å; E80-H100 PolarHBondContact OE1-N 2.89Å; H100-F161 HydrophobicContact CB-CD1 3.64Å; H100-F161 HydrophobicContact CB-CD2 3.84Å; H100-F161 HydrophobicContact CB-CE1 3.55Å; H100-F161 HydrophobicContact CB-CE2 3.75Å; H100-F161 HydrophobicContact CB-CG 3.78Å; H100-F161 HydrophobicContact CB-CZ 3.6Å; H100-F161 VanDerWaalsContact O-CD1 3.23Å; H100-F161 WeakPolarHBondContact O-CD1 3.44Å; H100-H167 PolarHBondContact O-CD2 3.43Å; H100-H167 PolarHBondContact O-NE2 3.15Å | ||
| 101 | M | 98.4 | Very high | 97.5 | Very high | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.039 | 19% | 0.192 | C | C | . | . | trans | -74.3 | 141 | -179.8 | -70.3 | -64 | 178.1 | 0 | 0 | 111.9 | Y10 L13 F25 E80 S99 L105 M106 F161 W171 | Y10-M101 HydrophobicContact CD1-CE 3.82Å; Y10-M101 HydrophobicContact CD1-SD 4.3Å; Y10-M101 HydrophobicContact CE1-CE 3.82Å; Y10-M101 HydrophobicContact CE1-SD 4.13Å; L13-M101 HydrophobicContact CD1-SD 4.49Å; F25-M101 HydrophobicContact CD1-CE 3.88Å; F25-M101 HydrophobicContact CE1-CE 3.58Å; E80-M101 HydrophobicContact CB-CE 3.41Å; E80-M101 VanDerWaalsContact CB-CE 3.41Å; E80-M101 HydrophobicContact CB-CG 4.26Å; E80-M101 HydrophobicContact CG-CE 3.84Å; E80-M101 HydrophobicContact CG-CG 4.45Å; S99-M101 WeakPolarHBondContact OG-CB 3.22Å; S99-M101 PolarHBondContact OG-N 2.81Å; M101-L105 HydrophobicContact CB-CB 4.48Å; M101-L105 HydrophobicContact SD-CB 4.44Å; M101-L105 HydrophobicContact SD-CD1 4.32Å; M101-M106 HydrophobicContact CB-SD 4.41Å; M101-F161 HydrophobicContact CE-CE1 4.2Å; M101-F161 HydrophobicContact SD-CE1 4.27Å; M101-W171 WeakPolarHBondContact O-CZ2 3.12Å; M101-W171 PolarHBondContact O-NE1 3.17Å | ||
| 102 | P | 98.3 | Very high | 97.6 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 5% | 0.052 | 22% | 0.216 | C | C | . | . | trans | -67 | 154.5 | 168.3 | 31.1 | -35.6 | 0 | 0 | 0 | 110.4 | L13 H104 L105 S170 | L13-P102 HydrophobicContact CD1-CG 3.97Å; P102-H104 VanDerWaalsContact C-N 3.26Å; P102-H104 PolarHBondContact O-N 2.95Å; P102-H104 VanDerWaalsContact O-N 3.08Å; P102-L105 HydrophobicContact CG-CB 4.23Å; P102-L105 HydrophobicContact CG-CD1 3.7Å; P102-L105 HydrophobicContact CG-CG 3.9Å; P102-L105 PolarHBondContact O-N 2.79Å; P102-S170 WeakPolarHBondContact CB-OG 3.49Å | ||
| 103 | Y | 98.4 | Very high | 97.9 | Very high | 29 Ų | 29 | 32.5 Ų | 32.5 | 11% | 0.114 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -51.2 | -40.8 | -172.1 | 175 | -96.3 | 0 | 0 | 0 | 114.4 | L105 M106 F110 F111 S170 W171 N173 L176 | Y103-L105 PolarHBondContact O-N 2.91Å; Y103-M106 WeakPolarHBondContact O-CB 3.33Å; Y103-M106 WeakPolarHBondContact O-CG 3.36Å; Y103-M106 PolarHBondContact O-N 3.06Å; Y103-F110 HydrophobicContact CD2-CE1 4.32Å; Y103-F110 AromaticContact CE2-CE1 3.89Å; Y103-F110 HydrophobicContact CE2-CE1 3.89Å; Y103-F111 HydrophobicContact CD1-CE1 4.4Å; Y103-F111 HydrophobicContact CE1-CD1 4.35Å; Y103-F111 AromaticContact CE1-CE1 3.79Å; Y103-F111 HydrophobicContact CE1-CE1 3.79Å; Y103-F111 HydrophobicContact CE2-CE1 4.29Å; Y103-F111 AromaticContact CZ-CD1 3.96Å; Y103-F111 AromaticContact CZ-CE1 3.74Å; Y103-S170 WeakPolarHBondContact CB-O 3.28Å; Y103-S170 PolarHBondContact N-OG 3.15Å; Y103-S170 VanDerWaalsContact N-OG 3.17Å; Y103-W171 HydrophobicContact CD2-CE3 4.02Å; Y103-W171 HydrophobicContact CD2-CH2 4.29Å; Y103-W171 AromaticContact CD2-CZ3 3.9Å; Y103-W171 HydrophobicContact CD2-CZ3 3.9Å; Y103-N173 HydrophobicContact CD2-CB 4.5Å; Y103-N173 HydrophobicContact CE1-CB 4.35Å; Y103-N173 WeakPolarHBondContact CE1-ND2 3.42Å; Y103-N173 HydrophobicContact CE2-CB 4.28Å; Y103-N173 VanDerWaalsContact CZ-ND2 3.27Å; Y103-N173 PolarHBondContact OH-ND2 3.24Å; Y103-L176 HydrophobicContact CD2-CD1 4.1Å; Y103-L176 HydrophobicContact CE2-CD1 3.82Å; Y103-L176 HydrophobicContact CE2-CD2 4.03Å; Y103-L176 HydrophobicContact CE2-CG 3.91Å |
| 104 | H | 97.3 | Very high | 98.1 | Very high | 128 Ų | 128 | 35.6 Ų | 35.6 | 59% | 0.593 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -72.5 | -8 | -177.1 | 66.2 | -87.1 | 0 | 0 | 0 | 114.1 | P102 | P102-H104 VanDerWaalsContact C-N 3.26Å; P102-H104 PolarHBondContact O-N 2.95Å; P102-H104 VanDerWaalsContact O-N 3.08Å |
| 105 | L | 97.8 | Very high | 98.2 | Very high | 25 Ų | 25 | 34 Ų | 34 | 13% | 0.131 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -107.3 | 6.8 | 175.4 | -61 | -177.6 | 0 | 0 | 0 | 112.8 | Y10 H11 L13 M101 P102 Y103 | Y10-L105 HydrophobicContact CD1-CD1 4.39Å; Y10-L105 HydrophobicContact CE1-CD1 4.08Å; H11-L105 HydrophobicContact CB-CD1 3.78Å; H11-L105 HydrophobicContact CB-CD2 4Å; L13-L105 HydrophobicContact CD1-CD1 3.75Å; M101-L105 HydrophobicContact CB-CB 4.48Å; M101-L105 HydrophobicContact SD-CB 4.44Å; M101-L105 HydrophobicContact SD-CD1 4.32Å; P102-L105 HydrophobicContact CG-CB 4.23Å; P102-L105 HydrophobicContact CG-CD1 3.7Å; P102-L105 HydrophobicContact CG-CG 3.9Å; P102-L105 PolarHBondContact O-N 2.79Å; Y103-L105 PolarHBondContact O-N 2.91Å |
| 106 | M | 98.3 | Very high | 98.2 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 3% | 0.034 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -63.6 | 150.9 | 170.9 | -67.2 | -59.1 | -69.2 | 0 | 0 | 110.7 | F39 M101 Y103 F110 F111 W171 | F39-M106 HydrophobicContact CD1-CE 3.66Å; F39-M106 HydrophobicContact CE1-CE 3.8Å; F39-M106 HydrophobicContact CG-CE 4.27Å; M101-M106 HydrophobicContact CB-SD 4.41Å; Y103-M106 WeakPolarHBondContact O-CB 3.33Å; Y103-M106 WeakPolarHBondContact O-CG 3.36Å; Y103-M106 PolarHBondContact O-N 3.06Å; M106-F110 HydrophobicContact CB-CB 4.23Å; M106-F110 HydrophobicContact CB-CD1 3.59Å; M106-F110 HydrophobicContact CB-CE1 4.16Å; M106-F110 HydrophobicContact CB-CG 4.01Å; M106-F110 HydrophobicContact CE-CD1 4.49Å; M106-F110 HydrophobicContact CE-CD2 3.96Å; M106-F110 HydrophobicContact CE-CE2 4.17Å; M106-F110 HydrophobicContact CE-CG 4.14Å; M106-F110 HydrophobicContact CG-CD1 4.05Å; M106-F110 HydrophobicContact CG-CE1 4.14Å; M106-F111 HydrophobicContact CB-CZ 4.15Å; M106-F111 WeakPolarHBondContact O-CE2 3.47Å; M106-W171 HydrophobicContact CE-CH2 4.12Å; M106-W171 HydrophobicContact CG-CH2 3.6Å; M106-W171 HydrophobicContact CG-CZ2 3.7Å; M106-W171 HydrophobicContact SD-CH2 3.71Å; M106-W171 HydrophobicContact SD-CZ2 3.61Å |
| 107 | P | 98 | Very high | 98.3 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.019 | 19% | 0.187 | C | C | . | . | trans | -55.3 | 145 | -178.3 | 12 | -24.7 | 0 | 0 | 0 | 112.4 | A28 I31 V33 L79 S109 F110 | A28-P107 VanDerWaalsContact O-CB 3.31Å; A28-P107 WeakPolarHBondContact O-CB 3.43Å; I31-P107 HydrophobicContact CG2-CB 3.92Å; I31-P107 HydrophobicContact CG2-CG 3.83Å; V33-P107 HydrophobicContact CG2-CG 3.94Å; L79-P107 HydrophobicContact CD2-CG 4.05Å; P107-S109 PolarHBondContact O-N 3.01Å; P107-F110 HydrophobicContact CG-CB 4.04Å; P107-F110 WeakPolarHBondContact O-CB 3.4Å; P107-F110 PolarHBondContact O-N 2.96Å | ||
| 108 | P | 98.4 | Very high | 98.3 | Very high | 92 Ų | 92 | 36 Ų | 36 | 60% | 0.597 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -32.7 | 177.4 | -29.8 | 37.3 | 0 | 0 | 0 | 114.5 | E29 F110 P112 | E29-P108 VanDerWaalsContact O-CD 3.3Å; E29-P108 WeakPolarHBondContact O-CD 3.46Å; P108-F110 VanDerWaalsContact C-N 3.3Å; P108-F110 PolarHBondContact O-N 2.86Å; P108-P112 WeakPolarHBondContact O-CD 3.29Å |
| 109 | S | 98.4 | Very high | 98.3 | Very high | 36 Ų | 36 | 36 Ų | 36 | 25% | 0.252 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -14.8 | 177.2 | 67 | 0 | 0 | 0 | 0 | 114.5 | I31 V33 P107 P112 | I31-S109 PolarHBondContact O-OG 2.94Å; V33-S109 WeakPolarHBondContact CB-OG 3.42Å; V33-S109 WeakPolarHBondContact CG2-OG 3.45Å; V33-S109 PolarHBondContact N-OG 2.61Å; P107-S109 PolarHBondContact O-N 3.01Å; S109-P112 WeakPolarHBondContact O-CD 3.44Å |
| 110 | F | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -40.7 | 177.1 | 166.4 | -97.6 | 0 | 0 | 0 | 112.2 | V33 F39 Y103 M106 P107 P108 S113 V117 W171 L176 R179 | V33-F110 HydrophobicContact CG2-CB 4.18Å; F39-F110 HydrophobicContact CD2-CD2 4.11Å; F39-F110 HydrophobicContact CD2-CE2 4.05Å; F39-F110 AromaticContact CE2-CD2 3.9Å; F39-F110 HydrophobicContact CE2-CD2 3.9Å; F39-F110 HydrophobicContact CE2-CE2 4.31Å; F39-F110 HydrophobicContact CG-CE2 4.48Å; F39-F110 HydrophobicContact CZ-CD2 4.28Å; Y103-F110 HydrophobicContact CD2-CE1 4.32Å; Y103-F110 AromaticContact CE2-CE1 3.89Å; Y103-F110 HydrophobicContact CE2-CE1 3.89Å; M106-F110 HydrophobicContact CB-CB 4.23Å; M106-F110 HydrophobicContact CB-CD1 3.59Å; M106-F110 HydrophobicContact CB-CE1 4.16Å; M106-F110 HydrophobicContact CB-CG 4.01Å; M106-F110 HydrophobicContact CE-CD1 4.49Å; M106-F110 HydrophobicContact CE-CD2 3.96Å; M106-F110 HydrophobicContact CE-CE2 4.17Å; M106-F110 HydrophobicContact CE-CG 4.14Å; M106-F110 HydrophobicContact CG-CD1 4.05Å; M106-F110 HydrophobicContact CG-CE1 4.14Å; P107-F110 HydrophobicContact CG-CB 4.04Å; P107-F110 WeakPolarHBondContact O-CB 3.4Å; P107-F110 PolarHBondContact O-N 2.96Å; P108-F110 VanDerWaalsContact C-N 3.3Å; P108-F110 PolarHBondContact O-N 2.86Å; F110-S113 PolarHBondContact O-N 3.23Å; F110-S113 PolarHBondContact O-OG 3.12Å; F110-V117 HydrophobicContact CE2-CG2 3.63Å; F110-V117 HydrophobicContact CZ-CG2 3.63Å; F110-W171 HydrophobicContact CZ-CH2 4.3Å; F110-W171 HydrophobicContact CZ-CZ3 4.25Å; F110-L176 HydrophobicContact CE1-CD2 4.15Å; F110-L176 HydrophobicContact CZ-CD2 3.85Å; F110-R179 PolarHBondContact O-NH2 3.46Å; F110-R179 VanDerWaalsContact O-NH2 3.17Å |
| 111 | F | 97.9 | Very high | 98.3 | Very high | 82 Ų | 82 | 35.3 Ų | 35.3 | 36% | 0.36 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -48.8 | -175.6 | -56.3 | -75.3 | 0 | 0 | 0 | 113.2 | Y103 M106 R179 | Y103-F111 HydrophobicContact CD1-CE1 4.4Å; Y103-F111 HydrophobicContact CE1-CD1 4.35Å; Y103-F111 AromaticContact CE1-CE1 3.79Å; Y103-F111 HydrophobicContact CE1-CE1 3.79Å; Y103-F111 HydrophobicContact CE2-CE1 4.29Å; Y103-F111 AromaticContact CZ-CD1 3.96Å; Y103-F111 AromaticContact CZ-CE1 3.74Å; M106-F111 HydrophobicContact CB-CZ 4.15Å; M106-F111 WeakPolarHBondContact O-CE2 3.47Å; F111-R179 PolarHBondContact O-NH1 3.14Å |
| 112 | P | 97.6 | Very high | 98.3 | Very high | 108 Ų | 108 | 35.7 Ų | 35.7 | 70% | 0.701 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -7.9 | 179.2 | 33.8 | -38.4 | 0 | 0 | 0 | 115.1 | P108 S109 | P108-P112 WeakPolarHBondContact O-CD 3.29Å; S109-P112 WeakPolarHBondContact O-CD 3.44Å |
| 113 | S | 98.1 | Very high | 98.3 | Very high | 9 Ų | 9 | 35.7 Ų | 35.7 | 6% | 0.063 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -75.2 | -177.8 | -176.5 | 76.8 | 0 | 0 | 0 | 0 | 112.6 | V33 D35 F110 A115 R179 | V33-S113 WeakPolarHBondContact CG1-OG 3.31Å; D35-S113 WeakPolarHBondContact OD1-CA 3.23Å; F110-S113 PolarHBondContact O-N 3.23Å; F110-S113 PolarHBondContact O-OG 3.12Å; S113-A115 WeakPolarHBondContact OG-CB 3.42Å; S113-A115 PolarHBondContact OG-N 2.76Å; S113-R179 PolarHBondContact O-NH1 3.01Å; S113-R179 PolarHBondContact O-NH2 3.26Å; S113-R179 VanDerWaalsContact O-NH2 3.17Å; S113-R179 PolarHBondContact OG-NH2 2.91Å; S113-R179 VanDerWaalsContact OG-NH2 3.07Å |
| 114 | K | 98.1 | Very high | 98.3 | Very high | 139 Ų | 139 | 34.4 Ų | 34.4 | 60% | 0.604 | 18% | 0.18 | S | C | * | . | trans | -107.9 | 7.5 | 167.4 | -61.3 | 176.5 | -171.4 | 158.6 | 0 | 113.8 | D35 K116 | D35-K114 HydrophobicContact CB-CB 3.94Å; D35-K114 CarbonylContact O-C 3.25Å; D35-K114 VanDerWaalsContact O-C 3.25Å; D35-K114 PolarHBondContact OD1-N 3.05Å; D35-K114 IonicContact OD2-NZ 2.94Å; K114-K116 PolarHBondContact O-N 3.28Å | ||
| 115 | A | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -48.6 | 137.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V33 D35 D37 F39 S113 R179 | V33-A115 HydrophobicContact CG1-CB 3.67Å; D35-A115 WeakPolarHBondContact O-CA 3.47Å; D35-A115 PolarHBondContact O-N 2.76Å; D37-A115 HydrophobicContact CB-CB 4Å; D37-A115 CarbonylContact O-C 3.56Å; D37-A115 VanDerWaalsContact O-CA 3.3Å; D37-A115 WeakPolarHBondContact O-CA 3.48Å; D37-A115 WeakPolarHBondContact O-CB 3.42Å; F39-A115 HydrophobicContact CD2-CB 3.97Å; F39-A115 HydrophobicContact CE2-CB 3.7Å; S113-A115 WeakPolarHBondContact OG-CB 3.42Å; S113-A115 PolarHBondContact OG-N 2.76Å; A115-R179 PolarHBondContact O-NE 3.05Å; A115-R179 PolarHBondContact O-NH2 3.47Å; A115-R179 VanDerWaalsContact O-NH2 3.08Å | ||
| 116 | K | 98.8 | Very high | 98.4 | Very high | 64 Ų | 64 | 28.2 Ų | 28.2 | 28% | 0.278 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 148.4 | -179 | -69.6 | 180 | -178.7 | 173.8 | 0 | 110.4 | D37 I38 F39 K114 R179 F202 L203 | D37-K116 PolarHBondContact O-N 3.22Å; I38-K116 HydrophobicContact CD1-CB 3.87Å; I38-K116 HydrophobicContact CD1-CD 4.33Å; I38-K116 HydrophobicContact CD1-CG 4.46Å; F39-K116 PolarHBondContact N-O 3.39Å; K114-K116 PolarHBondContact O-N 3.28Å; K116-R179 CarbonylContact C-O 3.48Å; K116-R179 WeakPolarHBondContact CA-O 3.48Å; K116-F202 HydrophobicContact CB-CE1 3.85Å; K116-F202 HydrophobicContact CB-CZ 3.84Å; K116-F202 HydrophobicContact CD-CE1 4.12Å; K116-F202 HydrophobicContact CD-CZ 4.15Å; K116-F202 WeakPolarHBondContact CE-O 3.45Å; K116-F202 HydrophobicContact CG-CE1 4.35Å; K116-F202 HydrophobicContact CG-CZ 4.1Å; K116-F202 PolarHBondContact NZ-O 3.45Å; K116-L203 HydrophobicContact CD-CD2 4.22Å |
| 117 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 131.2 | 179.8 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | F39 V41 F110 W171 R179 I180 L181 F202 | F39-V117 HydrophobicContact CB-CG2 4.36Å; F39-V117 CarbonylContact O-C 3.52Å; F39-V117 VanDerWaalsContact O-CA 3.3Å; F39-V117 WeakPolarHBondContact O-CA 3.44Å; V41-V117 HydrophobicContact CG2-CG1 4.18Å; F110-V117 HydrophobicContact CE2-CG2 3.63Å; F110-V117 HydrophobicContact CZ-CG2 3.63Å; V117-W171 HydrophobicContact CG1-CE3 4.24Å; V117-W171 HydrophobicContact CG1-CH2 4.47Å; V117-W171 HydrophobicContact CG1-CZ3 3.76Å; V117-W171 HydrophobicContact CG2-CZ3 4.29Å; V117-R179 PolarHBondContact N-O 3.48Å; V117-I180 HydrophobicContact CB-CB 4.22Å; V117-I180 HydrophobicContact CB-CD1 4.34Å; V117-I180 HydrophobicContact CB-CG1 4.09Å; V117-I180 HydrophobicContact CG1-CD1 4Å; V117-I180 HydrophobicContact CG1-CG1 4.12Å; V117-I180 CarbonylContact O-C 3.54Å; V117-I180 VanDerWaalsContact O-CA 3.31Å; V117-I180 WeakPolarHBondContact O-CA 3.24Å; V117-L181 PolarHBondContact O-N 2.92Å; V117-F202 WeakPolarHBondContact O-CZ 3.22Å |
| 118 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 109.3 | 165.9 | -61.2 | 157.5 | 0 | 0 | 0 | 106.4 | I38 F39 T40 V41 M51 V55 V120 L181 I183 L199 F202 L203 | I38-I118 HydrophobicContact CG2-CD1 4Å; F39-I118 PolarHBondContact O-N 3.4Å; T40-I118 CarbonylContact C-O 3.46Å; T40-I118 WeakPolarHBondContact CA-O 3.3Å; V41-I118 PolarHBondContact N-O 2.82Å; M51-I118 HydrophobicContact CE-CD1 4.25Å; M51-I118 HydrophobicContact CE-CG2 3.77Å; V55-I118 HydrophobicContact CG2-CD1 3.83Å; I118-V120 HydrophobicContact CG2-CG2 4.07Å; I118-L181 WeakPolarHBondContact CA-O 3.37Å; I118-I183 HydrophobicContact CG2-CD1 3.85Å; I118-L199 HydrophobicContact CD1-CD2 3.52Å; I118-L199 HydrophobicContact CG1-CD2 3.83Å; I118-L199 HydrophobicContact CG2-CD2 4.06Å; I118-F202 HydrophobicContact CG1-CD1 4.31Å; I118-F202 HydrophobicContact CG1-CE1 3.98Å; I118-L203 HydrophobicContact CD1-CD1 4.44Å; I118-L203 HydrophobicContact CD1-CD2 4.47Å |
| 119 | Y | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 115.9 | 178.1 | -170.9 | -103.2 | 0 | 0 | 0 | 110.2 | V41 T121 H167 V168 W171 L181 Y182 I183 | V41-Y119 HydrophobicContact CB-CD2 4Å; V41-Y119 HydrophobicContact CB-CE2 4.49Å; V41-Y119 HydrophobicContact CG1-CD2 4.1Å; V41-Y119 HydrophobicContact CG1-CE2 4.1Å; V41-Y119 WeakPolarHBondContact O-CA 3.2Å; V41-Y119 WeakPolarHBondContact O-CD2 3.41Å; Y119-T121 HydrophobicContact CD1-CG2 3.72Å; Y119-T121 HydrophobicContact CE1-CG2 3.15Å; Y119-H167 AromaticContact CE2-CE1 3.79Å; Y119-H167 AromaticContact CE2-ND1 3.98Å; Y119-H167 AromaticContact CZ-ND1 3.91Å; Y119-H167 PolarHBondContact OH-ND1 2.75Å; Y119-V168 WeakPolarHBondContact OH-CA 3.19Å; Y119-W171 HydrophobicContact CD1-CB 4.31Å; Y119-W171 HydrophobicContact CD2-CB 3.6Å; Y119-W171 AromaticContact CD2-CD1 3.99Å; Y119-W171 AromaticContact CD2-CD2 3.82Å; Y119-W171 HydrophobicContact CD2-CD2 3.82Å; Y119-W171 HydrophobicContact CD2-CE3 4.26Å; Y119-W171 AromaticContact CD2-CG 3.5Å; Y119-W171 HydrophobicContact CD2-CG 3.5Å; Y119-W171 VanDerWaalsContact CD2-CG 3.5Å; Y119-W171 HydrophobicContact CE1-CB 4.01Å; Y119-W171 HydrophobicContact CE2-CB 3.35Å; Y119-W171 AromaticContact CE2-CD1 3.28Å; Y119-W171 AromaticContact CE2-CD2 3.92Å; Y119-W171 HydrophobicContact CE2-CD2 3.92Å; Y119-W171 AromaticContact CE2-CG 3.18Å; Y119-W171 HydrophobicContact CE2-CG 3.18Å; Y119-W171 AromaticContact CE2-NE1 3.98Å; Y119-W171 HydrophobicContact CG-CB 4.11Å; Y119-W171 HydrophobicContact CG-CG 4.44Å; Y119-W171 AromaticContact CZ-CD1 3.95Å; Y119-W171 AromaticContact CZ-CG 3.88Å; Y119-L181 PolarHBondContact N-O 3.02Å; Y119-Y182 AromaticContact CD1-CD1 3.82Å; Y119-Y182 HydrophobicContact CD1-CD1 3.82Å; Y119-Y182 HydrophobicContact CD1-CE1 4.08Å; Y119-Y182 HydrophobicContact CG-CD1 4.28Å; Y119-Y182 HydrophobicContact CG-CE1 4.39Å; Y119-I183 PolarHBondContact O-N 3.03Å |
| 120 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.7 | 179 | -167.5 | 0 | 0 | 0 | 0 | 111.3 | V41 T42 M51 I118 I183 M188 | V41-V120 PolarHBondContact O-N 3.17Å; T42-V120 HydrophobicContact CG2-CB 3.74Å; T42-V120 HydrophobicContact CG2-CG2 4.22Å; M51-V120 HydrophobicContact CG-CG2 3.67Å; M51-V120 HydrophobicContact SD-CG2 4Å; I118-V120 HydrophobicContact CG2-CG2 4.07Å; V120-I183 VanDerWaalsContact CA-O 3.3Å; V120-I183 WeakPolarHBondContact CA-O 3.41Å; V120-I183 HydrophobicContact CG2-CB 4.41Å; V120-M188 HydrophobicContact CG1-CE 3.79Å |
| 121 | T | 98 | Very high | 98.3 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 3% | 0.025 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 156.5 | 172.1 | 52.5 | 0 | 0 | 0 | 0 | 112 | Y119 V168 I183 T184 Y185 F283 | Y119-T121 HydrophobicContact CD1-CG2 3.72Å; Y119-T121 HydrophobicContact CE1-CG2 3.15Å; T121-V168 HydrophobicContact CG2-CG2 4.14Å; T121-I183 PolarHBondContact N-O 2.7Å; T121-T184 CarbonylContact O-C 3.51Å; T121-T184 WeakPolarHBondContact O-CA 3.35Å; T121-Y185 PolarHBondContact O-N 3.35Å; T121-F283 HydrophobicContact CG2-CE1 4.08Å |
| 122 | R | 98.4 | Very high | 98.4 | Very high | 15 Ų | 15 | 19.4 Ų | 19.4 | 6% | 0.057 | 10% | 0.1 | C | C | . | . | trans | -140.1 | 154.5 | 174.2 | -178.7 | 174.4 | -170 | -171.6 | 6.7 | 108.9 | K45 P124 D126 V127 Y185 V252 W285 | K45-R122 PolarHBondContact O-NH1 3.38Å; R122-P124 VanDerWaalsContact O-N 3.13Å; R122-D126 HydrophobicContact CG-CB 4.42Å; R122-V127 HydrophobicContact CB-CG2 3.75Å; R122-V127 HydrophobicContact CG-CG2 3.99Å; R122-Y185 HydrophobicContact CB-CG 4.42Å; R122-Y185 HydrophobicContact CG-CD1 4.18Å; R122-Y185 HydrophobicContact CG-CG 3.97Å; R122-V252 PolarHBondContact NH2-O 3.44Å; R122-W285 VanDerWaalsContact C-CH2 3.41Å | ||
| 123 | N | 98.3 | Very high | 98.4 | Very high | 8 Ų | 8 | 16 Ų | 16 | 4% | 0.043 | 8% | 0.075 | C | C | . | . | trans | -48 | 120.2 | 173.4 | -174.7 | -38.2 | 0 | 0 | 0 | 110.5 | K125 D126 V127 E186 W285 | N123-K125 PolarHBondContact O-N 3.34Å; N123-K125 VanDerWaalsContact O-N 3.14Å; N123-K125 WeakPolarHBondContact OD1-CB 3.38Å; N123-K125 PolarHBondContact OD1-N 3.3Å; N123-D126 HydrophobicContact CB-CB 4.47Å; N123-D126 PolarHBondContact O-N 2.94Å; N123-V127 WeakPolarHBondContact O-CG2 3.43Å; N123-V127 PolarHBondContact O-N 3.13Å; N123-E186 WeakPolarHBondContact CB-OE1 3.3Å; N123-E186 PolarHBondContact N-OE1 3.05Å; N123-W285 HydrophobicContact CB-CB 4.43Å; N123-W285 HydrophobicContact CB-CD2 3.77Å; N123-W285 HydrophobicContact CB-CE3 4.1Å; N123-W285 HydrophobicContact CB-CG 3.92Å; N123-W285 WeakPolarHBondContact ND2-CB 3.33Å | ||
| 124 | P | 98.2 | Very high | 98.3 | Very high | 3 Ų | 3 | 16.8 Ų | 16.8 | 2% | 0.019 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61 | -25.5 | -174.9 | 21.4 | -32.2 | 0 | 0 | 0 | 113.4 | R122 V127 M128 W164 F268 L272 | R122-P124 VanDerWaalsContact O-N 3.13Å; P124-V127 PolarHBondContact O-N 2.69Å; P124-M128 WeakPolarHBondContact O-CB 3.34Å; P124-M128 PolarHBondContact O-N 2.83Å; P124-W164 HydrophobicContact CB-CD2 3.72Å; P124-W164 HydrophobicContact CB-CE3 4.01Å; P124-W164 HydrophobicContact CB-CG 4.06Å; P124-W164 HydrophobicContact CB-CH2 4.49Å; P124-W164 HydrophobicContact CB-CZ2 4.2Å; P124-W164 HydrophobicContact CB-CZ3 4.4Å; P124-W164 HydrophobicContact CG-CD2 4.27Å; P124-W164 HydrophobicContact CG-CE3 4.19Å; P124-W164 HydrophobicContact CG-CH2 4.01Å; P124-W164 HydrophobicContact CG-CZ2 4.05Å; P124-W164 HydrophobicContact CG-CZ3 4.08Å; P124-F268 HydrophobicContact CB-CE1 4.04Å; P124-F268 HydrophobicContact CB-CZ 4.24Å; P124-F268 HydrophobicContact CG-CE1 4.26Å; P124-L272 HydrophobicContact CB-CD1 4Å; P124-L272 HydrophobicContact CG-CD1 3.3Å; P124-L272 HydrophobicContact CG-CD2 4.44Å |
| 125 | K | 98.4 | Very high | 98.2 | Very high | 19 Ų | 19 | 10.7 Ų | 10.7 | 8% | 0.083 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -67.2 | -44.3 | 174.4 | -59.2 | 176.4 | -174.8 | 174.2 | 0 | 110.8 | N123 M128 V129 W256 F260 D265 F268 T269 | N123-K125 PolarHBondContact O-N 3.34Å; N123-K125 VanDerWaalsContact O-N 3.14Å; N123-K125 WeakPolarHBondContact OD1-CB 3.38Å; N123-K125 PolarHBondContact OD1-N 3.3Å; K125-M128 PolarHBondContact O-N 2.61Å; K125-V129 WeakPolarHBondContact O-CG2 3.47Å; K125-V129 PolarHBondContact O-N 3.06Å; K125-V129 VanDerWaalsContact O-N 3.13Å; K125-W256 HydrophobicContact CB-CB 3.6Å; K125-W256 HydrophobicContact CB-CD2 3.86Å; K125-W256 HydrophobicContact CB-CE3 4.36Å; K125-W256 HydrophobicContact CB-CG 3.51Å; K125-W256 HydrophobicContact CD-CD2 3.66Å; K125-W256 HydrophobicContact CD-CE3 3.67Å; K125-W256 HydrophobicContact CD-CG 4.27Å; K125-W256 HydrophobicContact CD-CH2 4.04Å; K125-W256 HydrophobicContact CD-CZ2 4.03Å; K125-W256 HydrophobicContact CD-CZ3 3.87Å; K125-W256 HydrophobicContact CG-CD2 4.39Å; K125-F260 HydrophobicContact CB-CE2 4.23Å; K125-F260 HydrophobicContact CB-CZ 4.08Å; K125-F260 HydrophobicContact CG-CE1 4.45Å; K125-F260 HydrophobicContact CG-CZ 4.34Å; K125-D265 WeakPolarHBondContact CE-OD1 3.26Å; K125-D265 IonicContact NZ-OD1 2.81Å; K125-D265 PolarHBondContact NZ-OD1 3.23Å; K125-F268 HydrophobicContact CB-CE1 4.37Å; K125-F268 HydrophobicContact CD-CD1 4.46Å; K125-F268 HydrophobicContact CG-CD1 3.61Å; K125-F268 HydrophobicContact CG-CE1 3.55Å; K125-F268 HydrophobicContact CG-CG 4.49Å; K125-F268 HydrophobicContact CG-CZ 4.44Å; K125-T269 VanDerWaalsContact CE-OG1 3.31Å; K125-T269 WeakPolarHBondContact CE-OG1 3.3Å; K125-T269 PolarHBondContact NZ-OG1 3.04Å |
| 126 | D | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 14.9 Ų | 14.9 | 2% | 0.016 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -68.2 | -36.2 | 174.5 | -80.7 | -39.8 | 0 | 0 | 0 | 112.5 | R122 N123 V129 S130 G254 D255 W256 | R122-D126 HydrophobicContact CG-CB 4.42Å; N123-D126 HydrophobicContact CB-CB 4.47Å; N123-D126 PolarHBondContact O-N 2.94Å; D126-V129 PolarHBondContact O-N 3.35Å; D126-S130 WeakPolarHBondContact O-CB 3.5Å; D126-S130 PolarHBondContact O-N 2.95Å; D126-G254 PolarHBondContact OD2-N 3.27Å; D126-D255 PolarHBondContact OD1-N 3.16Å; D126-W256 PolarHBondContact OD1-N 2.74Å |
| 127 | V | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -59.4 | -48.3 | 173.8 | 169.9 | 0 | 0 | 0 | 0 | 110.3 | Y43 P44 K45 R122 N123 P124 S130 S131 F154 | Y43-V127 HydrophobicContact CD1-CG1 3.63Å; Y43-V127 HydrophobicContact CE1-CG1 3.65Å; P44-V127 WeakPolarHBondContact O-CG1 3.47Å; K45-V127 HydrophobicContact CB-CG1 4.48Å; R122-V127 HydrophobicContact CB-CG2 3.75Å; R122-V127 HydrophobicContact CG-CG2 3.99Å; N123-V127 WeakPolarHBondContact O-CG2 3.43Å; N123-V127 PolarHBondContact O-N 3.13Å; P124-V127 PolarHBondContact O-N 2.69Å; V127-S130 PolarHBondContact O-N 3.1Å; V127-S131 VanDerWaalsContact O-CB 3.32Å; V127-S131 WeakPolarHBondContact O-CB 3.3Å; V127-S131 PolarHBondContact O-N 3.4Å; V127-F154 HydrophobicContact CB-CZ 4.46Å; V127-F154 HydrophobicContact CG1-CE2 3.93Å; V127-F154 HydrophobicContact CG1-CZ 3.91Å |
| 128 | M | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -58.6 | -50.3 | 177.6 | 179.8 | -75.3 | -155.4 | 0 | 0 | 111.1 | P124 K125 S130 S131 F132 F147 F150 L151 F154 F260 F268 | P124-M128 WeakPolarHBondContact O-CB 3.34Å; P124-M128 PolarHBondContact O-N 2.83Å; K125-M128 PolarHBondContact O-N 2.61Å; M128-S130 VanDerWaalsContact C-N 3.32Å; M128-S130 PolarHBondContact O-N 3.2Å; M128-S131 WeakPolarHBondContact O-CB 3.22Å; M128-S131 PolarHBondContact O-N 3.06Å; M128-S131 VanDerWaalsContact O-N 3.1Å; M128-F132 PolarHBondContact O-N 2.88Å; M128-F147 HydrophobicContact CE-CD1 4.07Å; M128-F147 HydrophobicContact CE-CD2 4.16Å; M128-F147 HydrophobicContact CE-CE1 3.68Å; M128-F147 HydrophobicContact CE-CE2 3.77Å; M128-F147 HydrophobicContact CE-CG 4.31Å; M128-F147 HydrophobicContact CE-CZ 3.52Å; M128-F147 HydrophobicContact SD-CE1 4.37Å; M128-F147 HydrophobicContact SD-CE2 3.71Å; M128-F147 HydrophobicContact SD-CZ 3.62Å; M128-F150 HydrophobicContact CE-CD1 4.23Å; M128-F150 HydrophobicContact CG-CD1 4.3Å; M128-F150 HydrophobicContact CG-CE1 4.4Å; M128-F150 HydrophobicContact SD-CD1 4.22Å; M128-L151 HydrophobicContact CE-CB 3.37Å; M128-L151 HydrophobicContact CE-CD1 4.09Å; M128-L151 HydrophobicContact CE-CG 3.92Å; M128-F154 HydrophobicContact CB-CD1 4.15Å; M128-F154 HydrophobicContact CB-CD2 4.02Å; M128-F154 HydrophobicContact CB-CE1 4.23Å; M128-F154 HydrophobicContact CB-CE2 4.1Å; M128-F154 HydrophobicContact CB-CG 4.04Å; M128-F154 HydrophobicContact CB-CZ 4.2Å; M128-F154 HydrophobicContact CG-CB 4.08Å; M128-F154 HydrophobicContact CG-CD1 4.27Å; M128-F154 HydrophobicContact CG-CD2 4.13Å; M128-F154 HydrophobicContact CG-CG 3.89Å; M128-F260 HydrophobicContact CE-CZ 4.41Å; M128-F260 HydrophobicContact SD-CE2 4.24Å; M128-F260 HydrophobicContact SD-CZ 4.19Å; M128-F268 HydrophobicContact CB-CE2 4.25Å; M128-F268 HydrophobicContact CB-CZ 4.29Å; M128-F268 HydrophobicContact CG-CE2 4.25Å |
| 129 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.2 | -45.9 | 177.2 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | K125 D126 S131 F132 H133 F147 W256 H259 F260 | K125-V129 WeakPolarHBondContact O-CG2 3.47Å; K125-V129 PolarHBondContact O-N 3.06Å; K125-V129 VanDerWaalsContact O-N 3.13Å; D126-V129 PolarHBondContact O-N 3.35Å; V129-S131 VanDerWaalsContact C-N 3.27Å; V129-S131 PolarHBondContact O-N 3.17Å; V129-F132 PolarHBondContact O-N 3.49Å; V129-H133 PolarHBondContact O-CD2 3.45Å; V129-H133 VanDerWaalsContact O-CD2 3.26Å; V129-H133 PolarHBondContact O-N 2.92Å; V129-F147 HydrophobicContact CG2-CE2 4.14Å; V129-F147 HydrophobicContact CG2-CZ 4.02Å; V129-W256 HydrophobicContact CG2-CB 4.16Å; V129-H259 WeakPolarHBondContact CG1-NE2 3.35Å; V129-H259 HydrophobicContact CG2-CB 4.03Å; V129-F260 HydrophobicContact CG2-CD2 4.23Å; V129-F260 HydrophobicContact CG2-CE2 3.76Å |
| 130 | S | 98.1 | Very high | 97.2 | Very high | 19 Ų | 19 | 17.1 Ų | 17.1 | 13% | 0.133 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.3 | -34.2 | 179.1 | -169.9 | 0 | 0 | 0 | 0 | 112.3 | D126 V127 M128 F134 | D126-S130 WeakPolarHBondContact O-CB 3.5Å; D126-S130 PolarHBondContact O-N 2.95Å; V127-S130 PolarHBondContact O-N 3.1Å; M128-S130 VanDerWaalsContact C-N 3.32Å; M128-S130 PolarHBondContact O-N 3.2Å; S130-F134 WeakPolarHBondContact O-CB 3.19Å; S130-F134 PolarHBondContact O-N 2.75Å |
| 131 | S | 97.9 | Very high | 97 | Very high | 5 Ų | 5 | 17.6 Ų | 17.6 | 4% | 0.035 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -72.3 | -41.5 | 177.6 | -167.1 | 0 | 0 | 0 | 0 | 111.4 | V127 M128 V129 H133 F134 H135 | V127-S131 VanDerWaalsContact O-CB 3.32Å; V127-S131 WeakPolarHBondContact O-CB 3.3Å; V127-S131 PolarHBondContact O-N 3.4Å; M128-S131 WeakPolarHBondContact O-CB 3.22Å; M128-S131 PolarHBondContact O-N 3.06Å; M128-S131 VanDerWaalsContact O-N 3.1Å; V129-S131 VanDerWaalsContact C-N 3.27Å; V129-S131 PolarHBondContact O-N 3.17Å; S131-H133 PolarHBondContact O-N 2.96Å; S131-F134 WeakPolarHBondContact O-CB 3.36Å; S131-F134 PolarHBondContact O-N 3.04Å; S131-F134 VanDerWaalsContact O-N 3.09Å; S131-H135 PolarHBondContact O-N 3.03Å; S131-H135 PolarHBondContact O-ND1 3.35Å; S131-H135 PolarHBondContact OG-CE1 3.01Å; S131-H135 VanDerWaalsContact OG-CE1 3.3Å; S131-H135 PolarHBondContact OG-ND1 2.83Å |
| 132 | F | 98 | Very high | 96.8 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 5% | 0.053 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -55.8 | -50 | 176 | 179 | -107.7 | 0 | 0 | 0 | 111.8 | M128 V129 F134 H135 K136 P144 G145 F147 F150 | M128-F132 PolarHBondContact O-N 2.88Å; V129-F132 PolarHBondContact O-N 3.49Å; F132-F134 VanDerWaalsContact C-N 3.31Å; F132-F134 PolarHBondContact O-N 3.36Å; F132-H135 PolarHBondContact O-N 3.4Å; F132-K136 HydrophobicContact CE1-CD 4.27Å; F132-K136 VanDerWaalsContact CZ-NZ 3.34Å; F132-K136 PolarHBondContact O-N 2.8Å; F132-P144 HydrophobicContact CD2-CB 3.59Å; F132-P144 HydrophobicContact CD2-CG 4Å; F132-P144 HydrophobicContact CE2-CB 3.79Å; F132-P144 HydrophobicContact CE2-CG 3.97Å; F132-G145 WeakPolarHBondContact CE2-O 3.37Å; F132-F147 AromaticContact CD1-CD2 3.91Å; F132-F147 HydrophobicContact CD1-CD2 3.91Å; F132-F147 HydrophobicContact CD1-CE2 4.39Å; F132-F147 HydrophobicContact CD2-CD2 4.33Å; F132-F147 AromaticContact CE1-CD2 3.95Å; F132-F147 HydrophobicContact CE1-CD2 3.95Å; F132-F147 HydrophobicContact CE2-CB 4.46Å; F132-F147 HydrophobicContact CE2-CD2 4.41Å; F132-F147 HydrophobicContact CG-CD2 4.08Å; F132-F147 HydrophobicContact CG-CE2 4.5Å; F132-F147 HydrophobicContact CZ-CB 4.23Å; F132-F147 HydrophobicContact CZ-CD2 4.21Å; F132-F150 HydrophobicContact CB-CD1 3.71Å; F132-F150 HydrophobicContact CB-CE1 3.85Å; F132-F150 HydrophobicContact CB-CG 4.41Å; F132-F150 HydrophobicContact CD2-CB 3.64Å; F132-F150 AromaticContact CD2-CD1 3.81Å; F132-F150 HydrophobicContact CD2-CD1 3.81Å; F132-F150 HydrophobicContact CD2-CD2 4.42Å; F132-F150 AromaticContact CD2-CG 3.69Å; F132-F150 HydrophobicContact CD2-CG 3.69Å; F132-F150 HydrophobicContact CE2-CB 4.06Å; F132-F150 HydrophobicContact CG-CD1 4.26Å |
| 133 | H | 97.6 | Very high | 96.6 | Very high | 36 Ų | 36 | 25.5 Ų | 25.5 | 17% | 0.167 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.6 | -31.4 | 176.9 | -74.3 | -70.4 | 0 | 0 | 0 | 113.2 | V129 S131 K136 M137 H259 | V129-H133 PolarHBondContact O-CD2 3.45Å; V129-H133 VanDerWaalsContact O-CD2 3.26Å; V129-H133 PolarHBondContact O-N 2.92Å; S131-H133 PolarHBondContact O-N 2.96Å; H133-K136 PolarHBondContact O-N 2.85Å; H133-M137 PolarHBondContact O-N 2.82Å; H133-H259 AromaticContact NE2-CE1 3.34Å; H133-H259 PolarHBondContact NE2-CE1 3.23Å; H133-H259 VanDerWaalsContact NE2-CE1 3.34Å; H133-H259 AromaticContact NE2-ND1 3.92Å |
| 134 | F | 96.8 | Very high | 96.5 | Very high | 25 Ų | 25 | 25.2 Ų | 25.2 | 11% | 0.11 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.2 | -42.8 | 176.1 | -177.8 | -122.4 | 0 | 0 | 0 | 111.9 | K45 S130 S131 F132 K136 M137 A138 F140 L141 L160 M240 F247 | K45-F134 HydrophobicContact CD-CB 4.36Å; K45-F134 HydrophobicContact CD-CD1 4Å; K45-F134 HydrophobicContact CD-CG 4.25Å; K45-F134 VanDerWaalsContact NZ-CG 3.31Å; S130-F134 WeakPolarHBondContact O-CB 3.19Å; S130-F134 PolarHBondContact O-N 2.75Å; S131-F134 WeakPolarHBondContact O-CB 3.36Å; S131-F134 PolarHBondContact O-N 3.04Å; S131-F134 VanDerWaalsContact O-N 3.09Å; F132-F134 VanDerWaalsContact C-N 3.31Å; F132-F134 PolarHBondContact O-N 3.36Å; F134-K136 VanDerWaalsContact C-N 3.26Å; F134-K136 PolarHBondContact O-N 2.78Å; F134-M137 HydrophobicContact CD2-CG 4.16Å; F134-M137 HydrophobicContact CD2-SD 4.16Å; F134-M137 WeakPolarHBondContact O-CG 3.48Å; F134-M137 PolarHBondContact O-N 3.14Å; F134-M137 VanDerWaalsContact O-N 3.1Å; F134-A138 HydrophobicContact CD2-CB 4.49Å; F134-A138 HydrophobicContact CE2-CB 4.16Å; F134-A138 HydrophobicContact CZ-CB 4.22Å; F134-A138 WeakPolarHBondContact O-CB 3.33Å; F134-A138 PolarHBondContact O-N 3.39Å; F134-F140 HydrophobicContact CZ-CE2 4.49Å; F134-F140 HydrophobicContact CZ-CZ 4.04Å; F134-L141 HydrophobicContact CD1-CD1 3.57Å; F134-L141 HydrophobicContact CE1-CD1 3.53Å; F134-L141 HydrophobicContact CG-CD1 4.47Å; F134-L141 HydrophobicContact CZ-CD1 4.37Å; F134-L160 HydrophobicContact CE1-CD1 4.48Å; F134-M240 HydrophobicContact CE2-CE 4.1Å; F134-F247 HydrophobicContact CD2-CD2 4.21Å; F134-F247 HydrophobicContact CD2-CE2 4.36Å; F134-F247 AromaticContact CE2-CD2 3.93Å; F134-F247 HydrophobicContact CE2-CD2 3.93Å; F134-F247 AromaticContact CE2-CE2 3.88Å; F134-F247 HydrophobicContact CE2-CE2 3.88Å; F134-F247 HydrophobicContact CZ-CE2 4.48Å |
| 135 | H | 96.4 | Very high | 96.4 | Very high | 11 Ų | 11 | 26.4 Ų | 26.4 | 5% | 0.051 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.8 | -32.1 | 175.3 | -73.7 | 68.5 | 0 | 0 | 0 | 112.2 | S131 F132 M137 D142 P144 F150 | S131-H135 PolarHBondContact O-N 3.03Å; S131-H135 PolarHBondContact O-ND1 3.35Å; S131-H135 PolarHBondContact OG-CE1 3.01Å; S131-H135 VanDerWaalsContact OG-CE1 3.3Å; S131-H135 PolarHBondContact OG-ND1 2.83Å; F132-H135 PolarHBondContact O-N 3.4Å; H135-M137 VanDerWaalsContact C-N 3.29Å; H135-M137 PolarHBondContact O-N 2.95Å; H135-D142 PolarHBondContact CD2-O 3.28Å; H135-P144 HydrophobicContact CB-CB 3.89Å; H135-P144 HydrophobicContact CB-CG 3.83Å; H135-F150 AromaticContact CD2-CE2 3.97Å; H135-F150 AromaticContact CE1-CE2 3.88Å; H135-F150 AromaticContact CE1-CZ 3.75Å; H135-F150 AromaticContact CG-CE2 3.89Å; H135-F150 AromaticContact ND1-CE2 3.82Å; H135-F150 AromaticContact ND1-CZ 3.67Å; H135-F150 AromaticContact NE2-CE2 3.96Å |
| 136 | K | 94.9 | Very high | 96.4 | Very high | 88 Ų | 88 | 29.2 Ų | 29.2 | 38% | 0.383 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.7 | -31.9 | 174.3 | -69.4 | -172.5 | 174.9 | -174.9 | 0 | 113.6 | F132 H133 F134 P144 K244 | F132-K136 HydrophobicContact CE1-CD 4.27Å; F132-K136 VanDerWaalsContact CZ-NZ 3.34Å; F132-K136 PolarHBondContact O-N 2.8Å; H133-K136 PolarHBondContact O-N 2.85Å; F134-K136 VanDerWaalsContact C-N 3.26Å; F134-K136 PolarHBondContact O-N 2.78Å; K136-P144 HydrophobicContact CG-CG 3.65Å; K136-K244 WeakPolarHBondContact O-CD 3.48Å |
| 137 | M | 94.8 | Very high | 96.3 | Very high | 8 Ų | 8 | 30.7 Ų | 30.7 | 4% | 0.039 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -97.8 | -27.6 | -174.1 | 69.2 | 170.1 | -58.2 | 0 | 0 | 114.1 | H133 F134 H135 M240 D241 K244 S245 | H133-M137 PolarHBondContact O-N 2.82Å; F134-M137 HydrophobicContact CD2-CG 4.16Å; F134-M137 HydrophobicContact CD2-SD 4.16Å; F134-M137 WeakPolarHBondContact O-CG 3.48Å; F134-M137 PolarHBondContact O-N 3.14Å; F134-M137 VanDerWaalsContact O-N 3.1Å; H135-M137 VanDerWaalsContact C-N 3.29Å; H135-M137 PolarHBondContact O-N 2.95Å; M137-M240 HydrophobicContact CE-CB 3.99Å; M137-M240 HydrophobicContact CE-CE 3.69Å; M137-M240 HydrophobicContact CE-CG 4.5Å; M137-M240 HydrophobicContact SD-CE 4.41Å; M137-D241 PolarHBondContact O-N 3.27Å; M137-K244 HydrophobicContact CB-CB 4.43Å; M137-S245 WeakPolarHBondContact CE-O 3.46Å |
| 138 | A | 95.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 3% | 0.025 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -89.8 | 113.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | F134 F140 L141 I239 | F134-A138 HydrophobicContact CD2-CB 4.49Å; F134-A138 HydrophobicContact CE2-CB 4.16Å; F134-A138 HydrophobicContact CZ-CB 4.22Å; F134-A138 WeakPolarHBondContact O-CB 3.33Å; F134-A138 PolarHBondContact O-N 3.39Å; A138-F140 HydrophobicContact CB-CD1 4.14Å; A138-F140 HydrophobicContact CB-CE1 3.7Å; A138-F140 HydrophobicContact CB-CE2 4.14Å; A138-F140 HydrophobicContact CB-CZ 3.71Å; A138-F140 PolarHBondContact O-N 3.17Å; A138-L141 HydrophobicContact CB-CB 4.38Å; A138-L141 HydrophobicContact CB-CD1 3.85Å; A138-L141 HydrophobicContact CB-CG 3.89Å; A138-L141 PolarHBondContact O-N 3.45Å; A138-I239 WeakPolarHBondContact CA-O 3.49Å |
| 139 | S | 93.9 | Very high | 96.3 | Very high | 75 Ų | 75 | 38.6 Ų | 38.6 | 52% | 0.524 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -19.4 | -175.5 | 60.2 | 0 | 0 | 0 | 0 | 114 | L141 E238 I239 | S139-L141 VanDerWaalsContact C-N 3.27Å; S139-E238 VanDerWaalsContact CB-O 3.25Å; S139-E238 WeakPolarHBondContact CB-O 3.25Å; S139-E238 PolarHBondContact OG-O 2.89Å; S139-I239 PolarHBondContact N-O 3.39Å; S139-I239 WeakPolarHBondContact OG-CA 3.26Å; S139-I239 PolarHBondContact OG-O 3.41Å |
| 140 | F | 93.6 | Very high | 96.2 | Very high | 26 Ų | 26 | 38.7 Ų | 38.7 | 11% | 0.114 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 5.5 | 176.2 | 59.7 | -95.5 | 0 | 0 | 0 | 113.7 | N6 P16 E18 F134 A138 I239 M240 | N6-F140 WeakPolarHBondContact CB-O 3.45Å; P16-F140 HydrophobicContact CB-CD2 3.84Å; P16-F140 HydrophobicContact CB-CE2 4.2Å; P16-F140 HydrophobicContact CG-CD2 4.38Å; P16-F140 HydrophobicContact CG-CE2 4.34Å; E18-F140 HydrophobicContact CB-CB 3.47Å; E18-F140 VanDerWaalsContact CB-CB 3.47Å; E18-F140 HydrophobicContact CB-CD1 4.22Å; E18-F140 HydrophobicContact CB-CD2 4.13Å; E18-F140 HydrophobicContact CB-CG 3.69Å; E18-F140 HydrophobicContact CG-CB 3.95Å; E18-F140 HydrophobicContact CG-CD1 3.95Å; E18-F140 HydrophobicContact CG-CG 3.95Å; F134-F140 HydrophobicContact CZ-CE2 4.49Å; F134-F140 HydrophobicContact CZ-CZ 4.04Å; A138-F140 HydrophobicContact CB-CD1 4.14Å; A138-F140 HydrophobicContact CB-CE1 3.7Å; A138-F140 HydrophobicContact CB-CE2 4.14Å; A138-F140 HydrophobicContact CB-CZ 3.71Å; A138-F140 PolarHBondContact O-N 3.17Å; F140-I239 HydrophobicContact CD1-CG2 3.69Å; F140-I239 HydrophobicContact CE1-CG2 3.71Å; F140-M240 HydrophobicContact CE1-CG 4.24Å |
| 141 | L | 95.1 | Very high | 96.3 | Very high | 9 Ų | 9 | 37.8 Ų | 37.8 | 5% | 0.047 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -113.3 | 153 | 173.2 | -59.3 | -176.2 | 0 | 0 | 0 | 109.8 | Y7 P16 F134 A138 S139 L160 | Y7-L141 HydrophobicContact CE1-CD2 3.81Å; P16-L141 HydrophobicContact CB-CD2 4.33Å; P16-L141 HydrophobicContact CG-CD2 3.89Å; F134-L141 HydrophobicContact CD1-CD1 3.57Å; F134-L141 HydrophobicContact CE1-CD1 3.53Å; F134-L141 HydrophobicContact CG-CD1 4.47Å; F134-L141 HydrophobicContact CZ-CD1 4.37Å; A138-L141 HydrophobicContact CB-CB 4.38Å; A138-L141 HydrophobicContact CB-CD1 3.85Å; A138-L141 HydrophobicContact CB-CG 3.89Å; A138-L141 PolarHBondContact O-N 3.45Å; S139-L141 VanDerWaalsContact C-N 3.27Å; L141-L160 HydrophobicContact CD1-CD1 3.98Å; L141-L160 HydrophobicContact CD2-CD1 3.88Å; L141-L160 HydrophobicContact CD2-CD2 3.82Å; L141-L160 HydrophobicContact CD2-CG 4.26Å |
| 142 | D | 93.8 | Very high | 96.3 | Very high | 65 Ų | 65 | 40.2 Ų | 40.2 | 35% | 0.348 | 22% | 0.218 | S | C | . | . | trans | -65.6 | 148.6 | 174.3 | -70.3 | -2.9 | 0 | 0 | 0 | 111.2 | N6 Y7 H135 | N6-D142 PolarHBondContact ND2-OD1 2.9Å; Y7-D142 HydrophobicContact CE2-CB 4.3Å; Y7-D142 WeakPolarHBondContact CE2-OD2 3.28Å; Y7-D142 PolarHBondContact OH-N 2.87Å; H135-D142 PolarHBondContact CD2-O 3.28Å | ||
| 143 | D | 93.9 | Very high | 96.3 | Very high | 121 Ų | 121 | 43 Ų | 43 | 65% | 0.647 | 23% | 0.23 | S | C | * | . | trans | -55.1 | 124.8 | 171.7 | -173.7 | -14 | 0 | 0 | 0 | 109.3 | G145 | D143-G145 PolarHBondContact O-N 3Å; D143-G145 PolarHBondContact OD1-N 3.27Å | ||
| 144 | P | 95.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | trans | -66.6 | -18.6 | -179.7 | 26.7 | -33.4 | 0 | 0 | 0 | 112.4 | F132 H135 K136 F150 | F132-P144 HydrophobicContact CD2-CB 3.59Å; F132-P144 HydrophobicContact CD2-CG 4Å; F132-P144 HydrophobicContact CE2-CB 3.79Å; F132-P144 HydrophobicContact CE2-CG 3.97Å; H135-P144 HydrophobicContact CB-CB 3.89Å; H135-P144 HydrophobicContact CB-CG 3.83Å; K136-P144 HydrophobicContact CG-CG 3.65Å; P144-F150 HydrophobicContact CB-CB 4.23Å; P144-F150 HydrophobicContact CB-CD2 3.39Å; P144-F150 HydrophobicContact CB-CE2 3.92Å; P144-F150 HydrophobicContact CB-CG 3.93Å | ||
| 145 | G | 96.5 | Very high | 96.4 | Very high | 29 Ų | 29 | 41.1 Ų | 41.1 | 30% | 0.299 | 22% | 0.222 | S | C | . | . | trans | 72.5 | -145.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F132 D143 | F132-G145 WeakPolarHBondContact CE2-O 3.37Å; D143-G145 PolarHBondContact O-N 3Å; D143-G145 PolarHBondContact OD1-N 3.27Å | ||
| 146 | T | 97.8 | Very high | 96.4 | Very high | 78 Ų | 78 | 43.2 Ų | 43.2 | 48% | 0.479 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -71.1 | 160.5 | 172.7 | 66.2 | 0 | 0 | 0 | 0 | 111.4 | D148 E149 F150 | T146-D148 VanDerWaalsContact C-N 3.26Å; T146-D148 PolarHBondContact O-N 3.13Å; T146-E149 WeakPolarHBondContact CB-OE2 3.49Å; T146-E149 WeakPolarHBondContact CG2-OE2 3.27Å; T146-E149 PolarHBondContact N-OE2 2.74Å; T146-E149 PolarHBondContact O-N 2.62Å; T146-E149 WeakPolarHBondContact OG1-CB 3.17Å; T146-E149 WeakPolarHBondContact OG1-CG 3.48Å; T146-E149 PolarHBondContact OG1-N 2.86Å; T146-E149 PolarHBondContact OG1-OE2 3.49Å; T146-F150 PolarHBondContact O-N 3.07Å |
| 147 | F | 97.6 | Very high | 96.6 | Very high | 33 Ų | 33 | 39.7 Ų | 39.7 | 15% | 0.145 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.7 | -37 | 178 | -168 | -99.1 | 0 | 0 | 0 | 112.1 | M128 V129 F132 L151 H259 F260 | M128-F147 HydrophobicContact CE-CD1 4.07Å; M128-F147 HydrophobicContact CE-CD2 4.16Å; M128-F147 HydrophobicContact CE-CE1 3.68Å; M128-F147 HydrophobicContact CE-CE2 3.77Å; M128-F147 HydrophobicContact CE-CG 4.31Å; M128-F147 HydrophobicContact CE-CZ 3.52Å; M128-F147 HydrophobicContact SD-CE1 4.37Å; M128-F147 HydrophobicContact SD-CE2 3.71Å; M128-F147 HydrophobicContact SD-CZ 3.62Å; V129-F147 HydrophobicContact CG2-CE2 4.14Å; V129-F147 HydrophobicContact CG2-CZ 4.02Å; F132-F147 AromaticContact CD1-CD2 3.91Å; F132-F147 HydrophobicContact CD1-CD2 3.91Å; F132-F147 HydrophobicContact CD1-CE2 4.39Å; F132-F147 HydrophobicContact CD2-CD2 4.33Å; F132-F147 AromaticContact CE1-CD2 3.95Å; F132-F147 HydrophobicContact CE1-CD2 3.95Å; F132-F147 HydrophobicContact CE2-CB 4.46Å; F132-F147 HydrophobicContact CE2-CD2 4.41Å; F132-F147 HydrophobicContact CG-CD2 4.08Å; F132-F147 HydrophobicContact CG-CE2 4.5Å; F132-F147 HydrophobicContact CZ-CB 4.23Å; F132-F147 HydrophobicContact CZ-CD2 4.21Å; F147-L151 VanDerWaalsContact O-CB 3.31Å; F147-L151 WeakPolarHBondContact O-CB 3.49Å; F147-L151 PolarHBondContact O-N 2.96Å; F147-H259 HydrophobicContact CE1-CB 4.41Å; F147-H259 HydrophobicContact CE2-CB 3.93Å; F147-H259 HydrophobicContact CZ-CB 3.72Å; F147-F260 AromaticContact CE1-CD2 3.94Å; F147-F260 HydrophobicContact CE1-CD2 3.94Å; F147-F260 HydrophobicContact CE1-CE2 4.03Å; F147-F260 HydrophobicContact CE1-CG 4.3Å; F147-F260 HydrophobicContact CE1-CZ 4.46Å; F147-F260 AromaticContact CZ-CD2 3.72Å; F147-F260 HydrophobicContact CZ-CD2 3.72Å; F147-F260 AromaticContact CZ-CE2 3.6Å; F147-F260 HydrophobicContact CZ-CE2 3.6Å; F147-F260 HydrophobicContact CZ-CZ 4.3Å |
| 148 | D | 97.9 | Very high | 96.6 | Very high | 66 Ų | 66 | 45.2 Ų | 45.2 | 35% | 0.353 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.9 | -43 | 178.7 | -163.4 | 79 | 0 | 0 | 0 | 112.5 | T146 F150 L151 N152 Q264 | T146-D148 VanDerWaalsContact C-N 3.26Å; T146-D148 PolarHBondContact O-N 3.13Å; D148-F150 VanDerWaalsContact C-N 3.33Å; D148-F150 PolarHBondContact O-N 2.8Å; D148-L151 WeakPolarHBondContact O-CB 3.43Å; D148-L151 PolarHBondContact O-N 3.45Å; D148-N152 VanDerWaalsContact O-CG 3.23Å; D148-N152 PolarHBondContact O-N 3.3Å; D148-N152 PolarHBondContact O-ND2 2.82Å; D148-N152 PolarHBondContact OD2-ND2 2.75Å; D148-Q264 PolarHBondContact OD1-NE2 2.94Å |
| 149 | E | 98 | Very high | 96.7 | Very high | 101 Ų | 101 | 45.2 Ų | 45.2 | 47% | 0.472 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.4 | -46 | 174.2 | -72.9 | 163.4 | 151.4 | 0 | 0 | 111.1 | T146 L151 N152 K153 | T146-E149 WeakPolarHBondContact CB-OE2 3.49Å; T146-E149 WeakPolarHBondContact CG2-OE2 3.27Å; T146-E149 PolarHBondContact N-OE2 2.74Å; T146-E149 PolarHBondContact O-N 2.62Å; T146-E149 WeakPolarHBondContact OG1-CB 3.17Å; T146-E149 WeakPolarHBondContact OG1-CG 3.48Å; T146-E149 PolarHBondContact OG1-N 2.86Å; T146-E149 PolarHBondContact OG1-OE2 3.49Å; E149-L151 VanDerWaalsContact C-N 3.34Å; E149-L151 PolarHBondContact O-N 3.41Å; E149-N152 PolarHBondContact O-N 3.27Å; E149-K153 WeakPolarHBondContact O-CG 3.12Å; E149-K153 PolarHBondContact O-N 3.37Å |
| 150 | F | 98.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.9 | -36.7 | 177.5 | -166.4 | -102.2 | 0 | 0 | 0 | 112.6 | M128 F132 H135 P144 T146 D148 N152 K153 F154 V159 | M128-F150 HydrophobicContact CE-CD1 4.23Å; M128-F150 HydrophobicContact CG-CD1 4.3Å; M128-F150 HydrophobicContact CG-CE1 4.4Å; M128-F150 HydrophobicContact SD-CD1 4.22Å; F132-F150 HydrophobicContact CB-CD1 3.71Å; F132-F150 HydrophobicContact CB-CE1 3.85Å; F132-F150 HydrophobicContact CB-CG 4.41Å; F132-F150 HydrophobicContact CD2-CB 3.64Å; F132-F150 AromaticContact CD2-CD1 3.81Å; F132-F150 HydrophobicContact CD2-CD1 3.81Å; F132-F150 HydrophobicContact CD2-CD2 4.42Å; F132-F150 AromaticContact CD2-CG 3.69Å; F132-F150 HydrophobicContact CD2-CG 3.69Å; F132-F150 HydrophobicContact CE2-CB 4.06Å; F132-F150 HydrophobicContact CG-CD1 4.26Å; H135-F150 AromaticContact CD2-CE2 3.97Å; H135-F150 AromaticContact CE1-CE2 3.88Å; H135-F150 AromaticContact CE1-CZ 3.75Å; H135-F150 AromaticContact CG-CE2 3.89Å; H135-F150 AromaticContact ND1-CE2 3.82Å; H135-F150 AromaticContact ND1-CZ 3.67Å; H135-F150 AromaticContact NE2-CE2 3.96Å; P144-F150 HydrophobicContact CB-CB 4.23Å; P144-F150 HydrophobicContact CB-CD2 3.39Å; P144-F150 HydrophobicContact CB-CE2 3.92Å; P144-F150 HydrophobicContact CB-CG 3.93Å; T146-F150 PolarHBondContact O-N 3.07Å; D148-F150 VanDerWaalsContact C-N 3.33Å; D148-F150 PolarHBondContact O-N 2.8Å; F150-N152 VanDerWaalsContact C-N 3.29Å; F150-N152 PolarHBondContact O-N 3.1Å; F150-K153 PolarHBondContact O-N 2.95Å; F150-F154 WeakPolarHBondContact O-CB 3.34Å; F150-F154 PolarHBondContact O-N 2.89Å; F150-V159 HydrophobicContact CE2-CG1 4.15Å; F150-V159 HydrophobicContact CZ-CG1 4.2Å |
| 151 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57 | -46.1 | 173.4 | -172.8 | 150.5 | 0 | 0 | 0 | 110.7 | M128 F147 D148 E149 F154 L155 F260 Q264 K267 F268 | M128-L151 HydrophobicContact CE-CB 3.37Å; M128-L151 HydrophobicContact CE-CD1 4.09Å; M128-L151 HydrophobicContact CE-CG 3.92Å; F147-L151 VanDerWaalsContact O-CB 3.31Å; F147-L151 WeakPolarHBondContact O-CB 3.49Å; F147-L151 PolarHBondContact O-N 2.96Å; D148-L151 WeakPolarHBondContact O-CB 3.43Å; D148-L151 PolarHBondContact O-N 3.45Å; E149-L151 VanDerWaalsContact C-N 3.34Å; E149-L151 PolarHBondContact O-N 3.41Å; L151-F154 PolarHBondContact O-N 3.49Å; L151-L155 HydrophobicContact CD2-CD1 3.55Å; L151-L155 HydrophobicContact CD2-CG 4.3Å; L151-L155 WeakPolarHBondContact O-CG 3.24Å; L151-L155 PolarHBondContact O-N 3.06Å; L151-F260 HydrophobicContact CD1-CD1 4.33Å; L151-F260 HydrophobicContact CD1-CE1 3.81Å; L151-F260 HydrophobicContact CD1-CZ 4.38Å; L151-Q264 HydrophobicContact CD1-CB 3.79Å; L151-Q264 HydrophobicContact CD1-CG 4.07Å; L151-K267 HydrophobicContact CD2-CD 4.24Å; L151-F268 HydrophobicContact CD1-CD2 4.26Å; L151-F268 HydrophobicContact CD2-CD2 4.38Å; L151-F268 HydrophobicContact CG-CD2 4.01Å |
| 152 | N | 98.1 | Very high | 97.2 | Very high | 56 Ų | 56 | 41.2 Ų | 41.2 | 30% | 0.299 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67 | -40.9 | 179.1 | -63.9 | -37 | 0 | 0 | 0 | 112.1 | D148 E149 F150 F154 S156 K267 | D148-N152 VanDerWaalsContact O-CG 3.23Å; D148-N152 PolarHBondContact O-N 3.3Å; D148-N152 PolarHBondContact O-ND2 2.82Å; D148-N152 PolarHBondContact OD2-ND2 2.75Å; E149-N152 PolarHBondContact O-N 3.27Å; F150-N152 VanDerWaalsContact C-N 3.29Å; F150-N152 PolarHBondContact O-N 3.1Å; N152-F154 VanDerWaalsContact C-N 3.35Å; N152-S156 WeakPolarHBondContact O-CB 3.37Å; N152-S156 PolarHBondContact O-N 3.22Å; N152-S156 PolarHBondContact O-OG 2.86Å; N152-K267 WeakPolarHBondContact OD1-CE 3.5Å; N152-K267 PolarHBondContact OD1-NZ 2.8Å |
| 153 | K | 98 | Very high | 97.4 | Very high | 70 Ų | 70 | 41.1 Ų | 41.1 | 30% | 0.304 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.1 | -44.6 | 172.7 | -72.2 | 177.2 | 179.6 | 178.3 | 0 | 111.5 | E149 F150 S156 G157 Q158 V159 | E149-K153 WeakPolarHBondContact O-CG 3.12Å; E149-K153 PolarHBondContact O-N 3.37Å; F150-K153 PolarHBondContact O-N 2.95Å; K153-S156 WeakPolarHBondContact CA-OG 3.45Å; K153-S156 PolarHBondContact O-N 3.27Å; K153-S156 PolarHBondContact O-OG 2.98Å; K153-S156 VanDerWaalsContact O-OG 3.05Å; K153-G157 PolarHBondContact O-N 3.47Å; K153-G157 VanDerWaalsContact O-N 3.08Å; K153-Q158 HydrophobicContact CB-CB 4.34Å; K153-Q158 PolarHBondContact O-N 3.15Å; K153-V159 HydrophobicContact CB-CG1 4.08Å |
| 154 | F | 98.5 | Very high | 97.6 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 2% | 0.022 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.1 | -49.9 | 179.4 | -172.5 | -86 | 0 | 0 | 0 | 112 | Y43 V127 M128 F150 L151 N152 S156 G157 V159 W164 F268 | Y43-F154 AromaticContact CE1-CE2 3.96Å; Y43-F154 HydrophobicContact CE1-CE2 3.96Å; Y43-F154 HydrophobicContact CE1-CZ 4.17Å; V127-F154 HydrophobicContact CB-CZ 4.46Å; V127-F154 HydrophobicContact CG1-CE2 3.93Å; V127-F154 HydrophobicContact CG1-CZ 3.91Å; M128-F154 HydrophobicContact CB-CD1 4.15Å; M128-F154 HydrophobicContact CB-CD2 4.02Å; M128-F154 HydrophobicContact CB-CE1 4.23Å; M128-F154 HydrophobicContact CB-CE2 4.1Å; M128-F154 HydrophobicContact CB-CG 4.04Å; M128-F154 HydrophobicContact CB-CZ 4.2Å; M128-F154 HydrophobicContact CG-CB 4.08Å; M128-F154 HydrophobicContact CG-CD1 4.27Å; M128-F154 HydrophobicContact CG-CD2 4.13Å; M128-F154 HydrophobicContact CG-CG 3.89Å; F150-F154 WeakPolarHBondContact O-CB 3.34Å; F150-F154 PolarHBondContact O-N 2.89Å; L151-F154 PolarHBondContact O-N 3.49Å; N152-F154 VanDerWaalsContact C-N 3.35Å; F154-S156 VanDerWaalsContact C-N 3.29Å; F154-S156 PolarHBondContact O-N 2.85Å; F154-G157 PolarHBondContact O-N 3.4Å; F154-G157 VanDerWaalsContact O-N 3.14Å; F154-V159 HydrophobicContact CB-CG1 4.45Å; F154-V159 HydrophobicContact CD2-CG2 4.16Å; F154-W164 HydrophobicContact CE1-CB 4.22Å; F154-W164 HydrophobicContact CZ-CB 4.02Å; F154-F268 AromaticContact CD1-CE2 3.75Å; F154-F268 HydrophobicContact CD1-CE2 3.75Å; F154-F268 AromaticContact CD1-CZ 3.84Å; F154-F268 HydrophobicContact CD1-CZ 3.84Å; F154-F268 HydrophobicContact CE1-CE2 4.13Å; F154-F268 AromaticContact CE1-CZ 3.72Å; F154-F268 HydrophobicContact CE1-CZ 3.72Å |
| 155 | L | 98.3 | Very high | 97.8 | Very high | 17 Ų | 17 | 35.8 Ų | 35.8 | 9% | 0.089 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.7 | -32.2 | 179.2 | -70.5 | 177.8 | 0 | 0 | 0 | 112.9 | L151 G157 K163 F268 V271 | L151-L155 HydrophobicContact CD2-CD1 3.55Å; L151-L155 HydrophobicContact CD2-CG 4.3Å; L151-L155 WeakPolarHBondContact O-CG 3.24Å; L151-L155 PolarHBondContact O-N 3.06Å; L155-G157 VanDerWaalsContact C-N 3.31Å; L155-K163 WeakPolarHBondContact O-CE 3.49Å; L155-F268 HydrophobicContact CD1-CD2 4.06Å; L155-F268 HydrophobicContact CD2-CD2 3.59Å; L155-F268 HydrophobicContact CD2-CE2 3.68Å; L155-F268 HydrophobicContact CD2-CG 4.04Å; L155-F268 HydrophobicContact CD2-CZ 4.22Å; L155-F268 HydrophobicContact CG-CD2 3.88Å; L155-F268 HydrophobicContact CG-CE2 4.09Å; L155-V271 HydrophobicContact CB-CG1 4.41Å; L155-V271 HydrophobicContact CD1-CB 4.31Å; L155-V271 HydrophobicContact CD1-CG2 4.17Å; L155-V271 HydrophobicContact CD2-CB 4.14Å; L155-V271 HydrophobicContact CD2-CG1 3.94Å |
| 156 | S | 97.5 | Very high | 97.8 | Very high | 54 Ų | 54 | 38.2 Ų | 38.2 | 38% | 0.378 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -82 | -7.8 | 176.6 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | N152 K153 F154 Q158 K163 | N152-S156 WeakPolarHBondContact O-CB 3.37Å; N152-S156 PolarHBondContact O-N 3.22Å; N152-S156 PolarHBondContact O-OG 2.86Å; K153-S156 WeakPolarHBondContact CA-OG 3.45Å; K153-S156 PolarHBondContact O-N 3.27Å; K153-S156 PolarHBondContact O-OG 2.98Å; K153-S156 VanDerWaalsContact O-OG 3.05Å; F154-S156 VanDerWaalsContact C-N 3.29Å; F154-S156 PolarHBondContact O-N 2.85Å; S156-Q158 VanDerWaalsContact C-N 3.32Å; S156-K163 WeakPolarHBondContact O-CE 3.4Å |
| 157 | G | 97.3 | Very high | 97.9 | Very high | 14 Ų | 14 | 34.6 Ų | 34.6 | 14% | 0.144 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 14.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K153 F154 L155 V159 G162 | K153-G157 PolarHBondContact O-N 3.47Å; K153-G157 VanDerWaalsContact O-N 3.08Å; F154-G157 PolarHBondContact O-N 3.4Å; F154-G157 VanDerWaalsContact O-N 3.14Å; L155-G157 VanDerWaalsContact C-N 3.31Å; G157-V159 PolarHBondContact O-N 2.66Å; G157-G162 WeakPolarHBondContact O-CA 3.4Å |
| 158 | Q | 96.4 | Very high | 97.9 | Very high | 125 Ų | 125 | 33 Ų | 33 | 58% | 0.584 | 17% | 0.171 | S | C | * | . | trans | -83.3 | 47.4 | 175.8 | -62.1 | 177.6 | 13.9 | 0 | 0 | 111 | K153 S156 | K153-Q158 HydrophobicContact CB-CB 4.34Å; K153-Q158 PolarHBondContact O-N 3.15Å; S156-Q158 VanDerWaalsContact C-N 3.32Å | ||
| 159 | V | 96.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -140.8 | 174.8 | -179.3 | -66.9 | 0 | 0 | 0 | 0 | 109.3 | Y43 F150 K153 F154 G157 F161 G162 | Y43-V159 WeakPolarHBondContact OH-CG2 3.43Å; F150-V159 HydrophobicContact CE2-CG1 4.15Å; F150-V159 HydrophobicContact CZ-CG1 4.2Å; K153-V159 HydrophobicContact CB-CG1 4.08Å; F154-V159 HydrophobicContact CB-CG1 4.45Å; F154-V159 HydrophobicContact CD2-CG2 4.16Å; G157-V159 PolarHBondContact O-N 2.66Å; V159-F161 PolarHBondContact O-N 3.46Å; V159-G162 PolarHBondContact O-N 3.14Å; V159-G162 VanDerWaalsContact O-N 3.14Å |
| 160 | L | 96.7 | Very high | 97.9 | Very high | 9 Ų | 9 | 29.6 Ų | 29.6 | 5% | 0.047 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -48.3 | 126.5 | 176.5 | -60.6 | -177.7 | 0 | 0 | 0 | 112 | Y7 L14 P16 Y43 P44 F134 L141 G162 | Y7-L160 HydrophobicContact CD1-CD2 4.01Å; Y7-L160 HydrophobicContact CE1-CD2 3.5Å; L14-L160 WeakPolarHBondContact O-CA 3.34Å; P16-L160 HydrophobicContact CG-CD2 3.71Å; Y43-L160 PolarHBondContact OH-O 3.32Å; P44-L160 HydrophobicContact CG-CB 4.49Å; F134-L160 HydrophobicContact CE1-CD1 4.48Å; L141-L160 HydrophobicContact CD1-CD1 3.98Å; L141-L160 HydrophobicContact CD2-CD1 3.88Å; L141-L160 HydrophobicContact CD2-CD2 3.82Å; L141-L160 HydrophobicContact CD2-CG 4.26Å; L160-G162 PolarHBondContact O-N 3.08Å |
| 161 | F | 97.9 | Very high | 97.9 | Very high | 9 Ų | 9 | 29.5 Ų | 29.5 | 4% | 0.039 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 23.1 | 177.1 | -59.5 | -90.6 | 0 | 0 | 0 | 115.8 | L14 H20 P44 E80 H100 M101 V159 | L14-F161 PolarHBondContact O-N 2.84Å; L14-F161 VanDerWaalsContact O-N 3.12Å; H20-F161 AromaticContact NE2-CZ 3.7Å; P44-F161 HydrophobicContact CG-CB 4.03Å; P44-F161 HydrophobicContact CG-CD2 3.4Å; P44-F161 VanDerWaalsContact CG-CD2 3.4Å; P44-F161 HydrophobicContact CG-CE2 4.18Å; P44-F161 HydrophobicContact CG-CG 4.01Å; E80-F161 HydrophobicContact CG-CE1 4.41Å; E80-F161 HydrophobicContact CG-CZ 4.4Å; H100-F161 HydrophobicContact CB-CD1 3.64Å; H100-F161 HydrophobicContact CB-CD2 3.84Å; H100-F161 HydrophobicContact CB-CE1 3.55Å; H100-F161 HydrophobicContact CB-CE2 3.75Å; H100-F161 HydrophobicContact CB-CG 3.78Å; H100-F161 HydrophobicContact CB-CZ 3.6Å; H100-F161 VanDerWaalsContact O-CD1 3.23Å; H100-F161 WeakPolarHBondContact O-CD1 3.44Å; M101-F161 HydrophobicContact CE-CE1 4.2Å; M101-F161 HydrophobicContact SD-CE1 4.27Å; V159-F161 PolarHBondContact O-N 3.46Å |
| 162 | G | 97.9 | Very high | 97.7 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 7% | 0.072 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 78.6 | -150 | 166 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y43 G157 V159 L160 | Y43-G162 PolarHBondContact OH-O 3.05Å; G157-G162 WeakPolarHBondContact O-CA 3.4Å; V159-G162 PolarHBondContact O-N 3.14Å; V159-G162 VanDerWaalsContact O-N 3.14Å; L160-G162 PolarHBondContact O-N 3.08Å |
| 163 | K | 98.3 | Very high | 97.4 | Very high | 63 Ų | 63 | 32.7 Ų | 32.7 | 27% | 0.274 | 16% | 0.164 | S | C | . | . | trans | -78.5 | 133.6 | -179.3 | -69.6 | -171.5 | 174.7 | -169.1 | 0 | 111.6 | L155 S156 T165 D166 H167 E275 | L155-K163 WeakPolarHBondContact O-CE 3.49Å; S156-K163 WeakPolarHBondContact O-CE 3.4Å; K163-T165 VanDerWaalsContact C-N 3.29Å; K163-T165 PolarHBondContact O-N 2.79Å; K163-D166 HydrophobicContact CB-CB 4.11Å; K163-D166 PolarHBondContact O-N 3.38Å; K163-H167 PolarHBondContact O-N 3.38Å; K163-E275 IonicContact NZ-OE1 2.65Å; K163-E275 PolarHBondContact NZ-OE1 3.04Å | ||
| 164 | W | 98.6 | Very high | 97.1 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 3% | 0.034 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.6 | -42.4 | 173 | 178.3 | 94.8 | 0 | 0 | 0 | 112.5 | Y43 P124 F154 H167 V168 L272 M276 F283 W285 | Y43-W164 AromaticContact CD1-CD1 3.67Å; Y43-W164 HydrophobicContact CD1-CG 4.5Å; Y43-W164 HydrophobicContact CD2-CB 4.38Å; Y43-W164 HydrophobicContact CE1-CB 4.34Å; Y43-W164 HydrophobicContact CE2-CB 4.19Å; Y43-W164 AromaticContact CG-CD1 3.74Å; Y43-W164 HydrophobicContact CG-CG 4.46Å; P124-W164 HydrophobicContact CB-CD2 3.72Å; P124-W164 HydrophobicContact CB-CE3 4.01Å; P124-W164 HydrophobicContact CB-CG 4.06Å; P124-W164 HydrophobicContact CB-CH2 4.49Å; P124-W164 HydrophobicContact CB-CZ2 4.2Å; P124-W164 HydrophobicContact CB-CZ3 4.4Å; P124-W164 HydrophobicContact CG-CD2 4.27Å; P124-W164 HydrophobicContact CG-CE3 4.19Å; P124-W164 HydrophobicContact CG-CH2 4.01Å; P124-W164 HydrophobicContact CG-CZ2 4.05Å; P124-W164 HydrophobicContact CG-CZ3 4.08Å; F154-W164 HydrophobicContact CE1-CB 4.22Å; F154-W164 HydrophobicContact CZ-CB 4.02Å; W164-H167 PolarHBondContact O-N 3.4Å; W164-V168 HydrophobicContact CD2-CG2 3.89Å; W164-V168 HydrophobicContact CE3-CG2 4.22Å; W164-V168 HydrophobicContact CH2-CG1 4.42Å; W164-V168 HydrophobicContact CH2-CG2 3.99Å; W164-V168 HydrophobicContact CZ2-CG2 3.66Å; W164-V168 HydrophobicContact CZ3-CG2 4.25Å; W164-V168 WeakPolarHBondContact O-CB 3.32Å; W164-V168 WeakPolarHBondContact O-CG2 3.03Å; W164-V168 PolarHBondContact O-N 3.37Å; W164-L272 HydrophobicContact CE3-CD2 4.13Å; W164-L272 HydrophobicContact CZ3-CD2 4.38Å; W164-M276 HydrophobicContact CZ3-SD 4.37Å; W164-F283 HydrophobicContact CH2-CD2 4.39Å; W164-F283 AromaticContact CH2-CE2 3.68Å; W164-F283 HydrophobicContact CH2-CE2 3.68Å; W164-F283 AromaticContact CH2-CZ 3.88Å; W164-F283 HydrophobicContact CH2-CZ 3.88Å; W164-F283 HydrophobicContact CZ2-CE2 4.5Å; W164-F283 HydrophobicContact CZ2-CZ 4.34Å; W164-W285 HydrophobicContact CH2-CZ2 4.22Å; W164-W285 AromaticContact CZ2-CZ2 3.99Å; W164-W285 HydrophobicContact CZ2-CZ2 3.99Å |
| 165 | T | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.2 | -45.1 | -178.9 | 49.2 | 0 | 0 | 0 | 0 | 111.4 | K163 V168 K169 L272 E275 M276 | K163-T165 VanDerWaalsContact C-N 3.29Å; K163-T165 PolarHBondContact O-N 2.79Å; T165-V168 PolarHBondContact O-N 3Å; T165-K169 VanDerWaalsContact C-CE 3.44Å; T165-K169 WeakPolarHBondContact O-CB 3.32Å; T165-K169 WeakPolarHBondContact O-CE 3.29Å; T165-K169 VanDerWaalsContact O-CG 3.26Å; T165-K169 WeakPolarHBondContact O-CG 3.43Å; T165-K169 PolarHBondContact O-N 3.34Å; T165-L272 HydrophobicContact CG2-CD2 3.39Å; T165-E275 WeakPolarHBondContact CB-OE2 3.33Å; T165-E275 HydrophobicContact CG2-CB 3.88Å; T165-E275 WeakPolarHBondContact CG2-OE2 3.04Å; T165-E275 PolarHBondContact OG1-OE2 3.34Å; T165-M276 HydrophobicContact CG2-CG 3.88Å; T165-M276 HydrophobicContact CG2-SD 3.73Å |
| 166 | D | 98.2 | Very high | 96.8 | Very high | 80 Ų | 80 | 39.4 Ų | 39.4 | 43% | 0.428 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 177.7 | -66.2 | -21.4 | 0 | 0 | 0 | 111.6 | K163 K169 S170 | K163-D166 HydrophobicContact CB-CB 4.11Å; K163-D166 PolarHBondContact O-N 3.38Å; D166-K169 PolarHBondContact O-N 2.85Å; D166-K169 VanDerWaalsContact OD1-CE 3.3Å; D166-K169 WeakPolarHBondContact OD1-CE 3.42Å; D166-K169 IonicContact OD1-NZ 3.62Å; D166-K169 PolarHBondContact OD1-NZ 3.06Å; D166-S170 WeakPolarHBondContact O-CB 3.38Å; D166-S170 PolarHBondContact O-N 2.79Å |
| 167 | H | 98.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.8 | -51.3 | 174.9 | -170.7 | -73.7 | 0 | 0 | 0 | 111.5 | Y43 H100 Y119 K163 W164 K169 S170 W171 | Y43-H167 HydrophobicContact CD2-CB 3.76Å; Y43-H167 AromaticContact CD2-CG 3.82Å; Y43-H167 HydrophobicContact CE2-CB 4.46Å; H100-H167 PolarHBondContact O-CD2 3.43Å; H100-H167 PolarHBondContact O-NE2 3.15Å; Y119-H167 AromaticContact CE2-CE1 3.79Å; Y119-H167 AromaticContact CE2-ND1 3.98Å; Y119-H167 AromaticContact CZ-ND1 3.91Å; Y119-H167 PolarHBondContact OH-ND1 2.75Å; K163-H167 PolarHBondContact O-N 3.38Å; W164-H167 PolarHBondContact O-N 3.4Å; H167-K169 PolarHBondContact O-N 3.1Å; H167-S170 PolarHBondContact O-N 2.65Å; H167-S170 PolarHBondContact O-OG 3.3Å; H167-W171 AromaticContact CE1-CD1 3.58Å; H167-W171 AromaticContact CE1-NE1 3.69Å; H167-W171 AromaticContact ND1-CD1 3.75Å; H167-W171 PolarHBondContact O-N 3.23Å |
| 168 | V | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 178.6 | 163.7 | 0 | 0 | 0 | 0 | 112.6 | Y119 T121 W164 T165 S170 W171 R172 M276 I281 F283 | Y119-V168 WeakPolarHBondContact OH-CA 3.19Å; T121-V168 HydrophobicContact CG2-CG2 4.14Å; W164-V168 HydrophobicContact CD2-CG2 3.89Å; W164-V168 HydrophobicContact CE3-CG2 4.22Å; W164-V168 HydrophobicContact CH2-CG1 4.42Å; W164-V168 HydrophobicContact CH2-CG2 3.99Å; W164-V168 HydrophobicContact CZ2-CG2 3.66Å; W164-V168 HydrophobicContact CZ3-CG2 4.25Å; W164-V168 WeakPolarHBondContact O-CB 3.32Å; W164-V168 WeakPolarHBondContact O-CG2 3.03Å; W164-V168 PolarHBondContact O-N 3.37Å; T165-V168 PolarHBondContact O-N 3Å; V168-S170 VanDerWaalsContact C-N 3.3Å; V168-S170 PolarHBondContact O-N 2.59Å; V168-W171 PolarHBondContact O-N 2.9Å; V168-R172 WeakPolarHBondContact O-CG 3.47Å; V168-R172 PolarHBondContact O-N 2.83Å; V168-M276 HydrophobicContact CG1-CE 4.19Å; V168-I281 HydrophobicContact CG1-CD1 4.21Å; V168-F283 HydrophobicContact CG1-CE2 4.38Å; V168-F283 HydrophobicContact CG1-CZ 3.65Å |
| 169 | K | 97.9 | Very high | 96.8 | Very high | 70 Ų | 70 | 42.2 Ų | 42.2 | 30% | 0.304 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 176.6 | -74.6 | 176.3 | -63.4 | -176 | 0 | 111 | T165 D166 H167 W171 R172 E275 M276 T279 I281 | T165-K169 VanDerWaalsContact C-CE 3.44Å; T165-K169 WeakPolarHBondContact O-CB 3.32Å; T165-K169 WeakPolarHBondContact O-CE 3.29Å; T165-K169 VanDerWaalsContact O-CG 3.26Å; T165-K169 WeakPolarHBondContact O-CG 3.43Å; T165-K169 PolarHBondContact O-N 3.34Å; D166-K169 PolarHBondContact O-N 2.85Å; D166-K169 VanDerWaalsContact OD1-CE 3.3Å; D166-K169 WeakPolarHBondContact OD1-CE 3.42Å; D166-K169 IonicContact OD1-NZ 3.62Å; D166-K169 PolarHBondContact OD1-NZ 3.06Å; H167-K169 PolarHBondContact O-N 3.1Å; K169-W171 VanDerWaalsContact C-N 3.27Å; K169-W171 PolarHBondContact O-N 3.4Å; K169-R172 PolarHBondContact O-N 3.28Å; K169-E275 PolarHBondContact NZ-O 3.28Å; K169-M276 HydrophobicContact CD-SD 4.34Å; K169-M276 HydrophobicContact CG-CE 4.48Å; K169-M276 HydrophobicContact CG-SD 4.17Å; K169-T279 HydrophobicContact CD-CG2 3.95Å; K169-T279 HydrophobicContact CG-CG2 4.02Å; K169-I281 HydrophobicContact CG-CD1 4.25Å |
| 170 | S | 97.8 | Very high | 96.9 | Very high | 24 Ų | 24 | 42.8 Ų | 42.8 | 17% | 0.168 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.4 | -35.8 | -178.4 | 79.6 | 0 | 0 | 0 | 0 | 113.3 | P102 Y103 D166 H167 V168 | P102-S170 WeakPolarHBondContact CB-OG 3.49Å; Y103-S170 WeakPolarHBondContact CB-O 3.28Å; Y103-S170 PolarHBondContact N-OG 3.15Å; Y103-S170 VanDerWaalsContact N-OG 3.17Å; D166-S170 WeakPolarHBondContact O-CB 3.38Å; D166-S170 PolarHBondContact O-N 2.79Å; H167-S170 PolarHBondContact O-N 2.65Å; H167-S170 PolarHBondContact O-OG 3.3Å; V168-S170 VanDerWaalsContact C-N 3.3Å; V168-S170 PolarHBondContact O-N 2.59Å |
| 171 | W | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -85.8 | -8.1 | -177.5 | -81.5 | 100.9 | 0 | 0 | 0 | 114.5 | V41 M101 Y103 M106 F110 V117 Y119 H167 V168 K169 N173 L176 I180 Y182 | V41-W171 HydrophobicContact CB-CH2 4.29Å; V41-W171 HydrophobicContact CB-CZ2 4Å; V41-W171 HydrophobicContact CG1-CD2 4.15Å; V41-W171 VanDerWaalsContact CG1-CE2 3.42Å; V41-W171 HydrophobicContact CG1-CH2 4.3Å; V41-W171 HydrophobicContact CG1-CZ2 3.53Å; V41-W171 HydrophobicContact CG2-CH2 3.7Å; V41-W171 HydrophobicContact CG2-CZ2 3.73Å; V41-W171 HydrophobicContact CG2-CZ3 4.3Å; M101-W171 WeakPolarHBondContact O-CZ2 3.12Å; M101-W171 PolarHBondContact O-NE1 3.17Å; Y103-W171 HydrophobicContact CD2-CE3 4.02Å; Y103-W171 HydrophobicContact CD2-CH2 4.29Å; Y103-W171 AromaticContact CD2-CZ3 3.9Å; Y103-W171 HydrophobicContact CD2-CZ3 3.9Å; M106-W171 HydrophobicContact CE-CH2 4.12Å; M106-W171 HydrophobicContact CG-CH2 3.6Å; M106-W171 HydrophobicContact CG-CZ2 3.7Å; M106-W171 HydrophobicContact SD-CH2 3.71Å; M106-W171 HydrophobicContact SD-CZ2 3.61Å; F110-W171 HydrophobicContact CZ-CH2 4.3Å; F110-W171 HydrophobicContact CZ-CZ3 4.25Å; V117-W171 HydrophobicContact CG1-CE3 4.24Å; V117-W171 HydrophobicContact CG1-CH2 4.47Å; V117-W171 HydrophobicContact CG1-CZ3 3.76Å; V117-W171 HydrophobicContact CG2-CZ3 4.29Å; Y119-W171 HydrophobicContact CD1-CB 4.31Å; Y119-W171 HydrophobicContact CD2-CB 3.6Å; Y119-W171 AromaticContact CD2-CD1 3.99Å; Y119-W171 AromaticContact CD2-CD2 3.82Å; Y119-W171 HydrophobicContact CD2-CD2 3.82Å; Y119-W171 HydrophobicContact CD2-CE3 4.26Å; Y119-W171 AromaticContact CD2-CG 3.5Å; Y119-W171 HydrophobicContact CD2-CG 3.5Å; Y119-W171 VanDerWaalsContact CD2-CG 3.5Å; Y119-W171 HydrophobicContact CE1-CB 4.01Å; Y119-W171 HydrophobicContact CE2-CB 3.35Å; Y119-W171 AromaticContact CE2-CD1 3.28Å; Y119-W171 AromaticContact CE2-CD2 3.92Å; Y119-W171 HydrophobicContact CE2-CD2 3.92Å; Y119-W171 AromaticContact CE2-CG 3.18Å; Y119-W171 HydrophobicContact CE2-CG 3.18Å; Y119-W171 AromaticContact CE2-NE1 3.98Å; Y119-W171 HydrophobicContact CG-CB 4.11Å; Y119-W171 HydrophobicContact CG-CG 4.44Å; Y119-W171 AromaticContact CZ-CD1 3.95Å; Y119-W171 AromaticContact CZ-CG 3.88Å; H167-W171 AromaticContact CE1-CD1 3.58Å; H167-W171 AromaticContact CE1-NE1 3.69Å; H167-W171 AromaticContact ND1-CD1 3.75Å; H167-W171 PolarHBondContact O-N 3.23Å; V168-W171 PolarHBondContact O-N 2.9Å; K169-W171 VanDerWaalsContact C-N 3.27Å; K169-W171 PolarHBondContact O-N 3.4Å; W171-N173 PolarHBondContact O-N 3.08Å; W171-L176 HydrophobicContact CE3-CD1 4.18Å; W171-L176 HydrophobicContact CZ3-CD1 4.2Å; W171-I180 HydrophobicContact CE3-CD1 4.19Å; W171-Y182 PolarHBondContact O-OH 2.71Å |
| 172 | R | 95.1 | Very high | 97 | Very high | 86 Ų | 86 | 45.8 Ų | 45.8 | 33% | 0.325 | 25% | 0.246 | S | C | . | . | trans | -84.9 | 61.6 | 173.4 | -70 | -75.3 | -169 | -171.5 | 4.6 | 110.1 | V168 K169 I281 | V168-R172 WeakPolarHBondContact O-CG 3.47Å; V168-R172 PolarHBondContact O-N 2.83Å; K169-R172 PolarHBondContact O-N 3.28Å; R172-I281 HydrophobicContact CB-CD1 4.08Å; R172-I281 HydrophobicContact CB-CG1 4.33Å; R172-I281 HydrophobicContact CG-CD1 3.62Å; R172-I281 HydrophobicContact CG-CG1 3.81Å | ||
| 173 | N | 92.3 | Very high | 97 | Very high | 37 Ų | 37 | 45.5 Ų | 45.5 | 20% | 0.198 | 24% | 0.243 | C | C | . | . | trans | -105.1 | 124.7 | -177 | -168 | -36.8 | 0 | 0 | 0 | 111.2 | Y103 W171 D175 L176 | Y103-N173 HydrophobicContact CD2-CB 4.5Å; Y103-N173 HydrophobicContact CE1-CB 4.35Å; Y103-N173 WeakPolarHBondContact CE1-ND2 3.42Å; Y103-N173 HydrophobicContact CE2-CB 4.28Å; Y103-N173 VanDerWaalsContact CZ-ND2 3.27Å; Y103-N173 PolarHBondContact OH-ND2 3.24Å; W171-N173 PolarHBondContact O-N 3.08Å; N173-D175 VanDerWaalsContact C-N 3.28Å; N173-D175 PolarHBondContact O-N 3.44Å; N173-D175 VanDerWaalsContact OD1-CB 3.28Å; N173-D175 WeakPolarHBondContact OD1-CB 3.44Å; N173-D175 PolarHBondContact OD1-N 2.99Å; N173-L176 HydrophobicContact CB-CD1 4.46Å; N173-L176 PolarHBondContact O-N 3.44Å | ||
| 174 | S | 91.9 | Very high | 97 | Very high | 105 Ų | 105 | 43 Ų | 43 | 73% | 0.734 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -66 | -26.6 | 179.3 | 48.6 | 0 | 0 | 0 | 0 | 114 | L176 G177 | S174-L176 PolarHBondContact O-N 3.07Å; S174-G177 PolarHBondContact O-N 2.93Å |
| 175 | D | 93.2 | Very high | 96.9 | Very high | 125 Ų | 125 | 43.2 Ų | 43.2 | 67% | 0.668 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -66.2 | -19.8 | -177.3 | -62 | -15.9 | 0 | 0 | 0 | 112.2 | N173 G177 | N173-D175 VanDerWaalsContact C-N 3.28Å; N173-D175 PolarHBondContact O-N 3.44Å; N173-D175 VanDerWaalsContact OD1-CB 3.28Å; N173-D175 WeakPolarHBondContact OD1-CB 3.44Å; N173-D175 PolarHBondContact OD1-N 2.99Å; D175-G177 VanDerWaalsContact C-N 3.32Å |
| 176 | L | 96.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -72.6 | -24.1 | 174.6 | -70.3 | 171.6 | 0 | 0 | 0 | 112.6 | Y103 F110 W171 N173 S174 D178 R179 I180 | Y103-L176 HydrophobicContact CD2-CD1 4.1Å; Y103-L176 HydrophobicContact CE2-CD1 3.82Å; Y103-L176 HydrophobicContact CE2-CD2 4.03Å; Y103-L176 HydrophobicContact CE2-CG 3.91Å; F110-L176 HydrophobicContact CE1-CD2 4.15Å; F110-L176 HydrophobicContact CZ-CD2 3.85Å; W171-L176 HydrophobicContact CE3-CD1 4.18Å; W171-L176 HydrophobicContact CZ3-CD1 4.2Å; N173-L176 HydrophobicContact CB-CD1 4.46Å; N173-L176 PolarHBondContact O-N 3.44Å; S174-L176 PolarHBondContact O-N 3.07Å; L176-D178 PolarHBondContact O-N 3.32Å; L176-R179 WeakPolarHBondContact O-CA 3.26Å; L176-R179 WeakPolarHBondContact O-CB 3.38Å; L176-R179 PolarHBondContact O-N 3.09Å; L176-I180 HydrophobicContact CB-CB 3.95Å; L176-I180 HydrophobicContact CB-CG2 3.52Å; L176-I180 HydrophobicContact CD1-CB 4.12Å; L176-I180 HydrophobicContact CD1-CD1 3.6Å; L176-I180 HydrophobicContact CD1-CG1 4.46Å; L176-I180 HydrophobicContact CD1-CG2 4.24Å |
| 177 | G | 96.4 | Very high | 96.8 | Very high | 46 Ų | 46 | 43.2 Ų | 43.2 | 47% | 0.474 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | 44.9 | -126.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S174 D175 R179 I180 | S174-G177 PolarHBondContact O-N 2.93Å; D175-G177 VanDerWaalsContact C-N 3.32Å; G177-R179 PolarHBondContact O-N 3.46Å; G177-I180 WeakPolarHBondContact O-CG2 3.29Å |
| 178 | D | 96.6 | Very high | 96.7 | Very high | 159 Ų | 159 | 43.1 Ų | 43.1 | 85% | 0.85 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -78.2 | 0.7 | 179.7 | -60.2 | -31.8 | 0 | 0 | 0 | 114 | L176 I180 F202 | L176-D178 PolarHBondContact O-N 3.32Å; D178-I180 VanDerWaalsContact C-N 3.3Å; D178-F202 WeakPolarHBondContact O-CE2 3.38Å |
| 179 | R | 97.9 | Very high | 96.6 | Very high | 46 Ų | 46 | 46.5 Ų | 46.5 | 17% | 0.174 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -80.7 | -9.1 | 175 | -61.7 | 169.4 | 56.6 | -169.5 | 2.6 | 112.7 | F110 F111 S113 A115 K116 V117 L176 G177 F202 | F110-R179 PolarHBondContact O-NH2 3.46Å; F110-R179 VanDerWaalsContact O-NH2 3.17Å; F111-R179 PolarHBondContact O-NH1 3.14Å; S113-R179 PolarHBondContact O-NH1 3.01Å; S113-R179 PolarHBondContact O-NH2 3.26Å; S113-R179 VanDerWaalsContact O-NH2 3.17Å; S113-R179 PolarHBondContact OG-NH2 2.91Å; S113-R179 VanDerWaalsContact OG-NH2 3.07Å; A115-R179 PolarHBondContact O-NE 3.05Å; A115-R179 PolarHBondContact O-NH2 3.47Å; A115-R179 VanDerWaalsContact O-NH2 3.08Å; K116-R179 CarbonylContact C-O 3.48Å; K116-R179 WeakPolarHBondContact CA-O 3.48Å; V117-R179 PolarHBondContact N-O 3.48Å; L176-R179 WeakPolarHBondContact O-CA 3.26Å; L176-R179 WeakPolarHBondContact O-CB 3.38Å; L176-R179 PolarHBondContact O-N 3.09Å; G177-R179 PolarHBondContact O-N 3.46Å; R179-F202 WeakPolarHBondContact O-CZ 3.47Å |
| 180 | I | 98.7 | Very high | 96.5 | Very high | 15 Ų | 15 | 52.1 Ų | 52.1 | 8% | 0.077 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.9 | -179.8 | -174.1 | 161 | 0 | 0 | 0 | 112.1 | V117 W171 L176 G177 D178 Y182 | V117-I180 HydrophobicContact CB-CB 4.22Å; V117-I180 HydrophobicContact CB-CD1 4.34Å; V117-I180 HydrophobicContact CB-CG1 4.09Å; V117-I180 HydrophobicContact CG1-CD1 4Å; V117-I180 HydrophobicContact CG1-CG1 4.12Å; V117-I180 CarbonylContact O-C 3.54Å; V117-I180 VanDerWaalsContact O-CA 3.31Å; V117-I180 WeakPolarHBondContact O-CA 3.24Å; W171-I180 HydrophobicContact CE3-CD1 4.19Å; L176-I180 HydrophobicContact CB-CB 3.95Å; L176-I180 HydrophobicContact CB-CG2 3.52Å; L176-I180 HydrophobicContact CD1-CB 4.12Å; L176-I180 HydrophobicContact CD1-CD1 3.6Å; L176-I180 HydrophobicContact CD1-CG1 4.46Å; L176-I180 HydrophobicContact CD1-CG2 4.24Å; G177-I180 WeakPolarHBondContact O-CG2 3.29Å; D178-I180 VanDerWaalsContact C-N 3.3Å; I180-Y182 HydrophobicContact CD1-CD1 4.34Å; I180-Y182 HydrophobicContact CD1-CE1 3.6Å; I180-Y182 HydrophobicContact CD1-CE2 4.25Å; I180-Y182 HydrophobicContact CG1-CD1 4.47Å; I180-Y182 HydrophobicContact CG1-CD2 4.44Å; I180-Y182 HydrophobicContact CG1-CE1 4.08Å; I180-Y182 HydrophobicContact CG1-CE2 4.04Å; I180-Y182 HydrophobicContact CG2-CE2 3.73Å |
| 181 | L | 98.6 | Very high | 96.4 | Very high | 25 Ų | 25 | 55.1 Ų | 55.1 | 13% | 0.131 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 123.4 | 168.8 | 179.4 | 63.8 | 0 | 0 | 0 | 109.4 | V117 I118 Y119 I183 L199 F202 | V117-L181 PolarHBondContact O-N 2.92Å; I118-L181 WeakPolarHBondContact CA-O 3.37Å; Y119-L181 PolarHBondContact N-O 3.02Å; L181-I183 HydrophobicContact CD2-CD1 3.89Å; L181-I183 HydrophobicContact CD2-CG1 4.24Å; L181-I183 HydrophobicContact CG-CD1 4.26Å; L181-I183 HydrophobicContact CG-CG1 4.11Å; L181-L199 HydrophobicContact CD2-CD2 3.85Å; L181-L199 HydrophobicContact CD2-CG 4.3Å; L181-F202 HydrophobicContact CB-CD1 3.82Å; L181-F202 HydrophobicContact CB-CD2 3.91Å; L181-F202 HydrophobicContact CB-CE1 3.77Å; L181-F202 HydrophobicContact CB-CE2 3.85Å; L181-F202 HydrophobicContact CB-CG 3.88Å; L181-F202 HydrophobicContact CB-CZ 3.78Å; L181-F202 HydrophobicContact CD2-CB 3.87Å; L181-F202 HydrophobicContact CD2-CD1 3.95Å; L181-F202 HydrophobicContact CD2-CG 3.89Å; L181-F202 HydrophobicContact CG-CG 4.42Å |
| 182 | Y | 98.2 | Very high | 96.4 | Very high | 57 Ų | 57 | 56.1 Ų | 56.1 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 129 | 174 | -60 | -83.4 | 0 | 0 | 0 | 110.4 | Y119 W171 I180 R198 | Y119-Y182 AromaticContact CD1-CD1 3.82Å; Y119-Y182 HydrophobicContact CD1-CD1 3.82Å; Y119-Y182 HydrophobicContact CD1-CE1 4.08Å; Y119-Y182 HydrophobicContact CG-CD1 4.28Å; Y119-Y182 HydrophobicContact CG-CE1 4.39Å; W171-Y182 PolarHBondContact O-OH 2.71Å; I180-Y182 HydrophobicContact CD1-CD1 4.34Å; I180-Y182 HydrophobicContact CD1-CE1 3.6Å; I180-Y182 HydrophobicContact CD1-CE2 4.25Å; I180-Y182 HydrophobicContact CG1-CD1 4.47Å; I180-Y182 HydrophobicContact CG1-CD2 4.44Å; I180-Y182 HydrophobicContact CG1-CE1 4.08Å; I180-Y182 HydrophobicContact CG1-CE2 4.04Å; I180-Y182 HydrophobicContact CG2-CE2 3.73Å; Y182-R198 PolarHBondContact O-NH2 3.01Å |
| 183 | I | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 148.1 | 176.3 | -64.3 | 170.2 | 0 | 0 | 0 | 108.1 | I118 Y119 V120 T121 L181 E187 M188 V195 L199 | I118-I183 HydrophobicContact CG2-CD1 3.85Å; Y119-I183 PolarHBondContact O-N 3.03Å; V120-I183 VanDerWaalsContact CA-O 3.3Å; V120-I183 WeakPolarHBondContact CA-O 3.41Å; V120-I183 HydrophobicContact CG2-CB 4.41Å; T121-I183 PolarHBondContact N-O 2.7Å; L181-I183 HydrophobicContact CD2-CD1 3.89Å; L181-I183 HydrophobicContact CD2-CG1 4.24Å; L181-I183 HydrophobicContact CG-CD1 4.26Å; L181-I183 HydrophobicContact CG-CG1 4.11Å; I183-E187 WeakPolarHBondContact CA-OE2 3.43Å; I183-M188 HydrophobicContact CG2-CG 3.77Å; I183-M188 HydrophobicContact CG2-SD 4.23Å; I183-V195 HydrophobicContact CD1-CG1 3.85Å; I183-V195 HydrophobicContact CG1-CG1 4.41Å; I183-V195 HydrophobicContact CG2-CG1 4.02Å; I183-L199 HydrophobicContact CD1-CD1 4.06Å; I183-L199 HydrophobicContact CD1-CD2 3.66Å; I183-L199 HydrophobicContact CD1-CG 3.77Å |
| 184 | T | 98.1 | Very high | 96.7 | Very high | 11 Ų | 11 | 52.9 Ų | 52.9 | 7% | 0.067 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 152 | 165.7 | 88.3 | 0 | 0 | 0 | 0 | 113 | T121 E186 E187 M188 P284 W285 | T121-T184 CarbonylContact O-C 3.51Å; T121-T184 WeakPolarHBondContact O-CA 3.35Å; T184-E186 VanDerWaalsContact CB-OE2 3.26Å; T184-E186 WeakPolarHBondContact CB-OE2 3.35Å; T184-E186 PolarHBondContact O-N 2.86Å; T184-E186 PolarHBondContact OG1-N 3.16Å; T184-E186 PolarHBondContact OG1-OE2 2.88Å; T184-E186 VanDerWaalsContact OG1-OE2 3.09Å; T184-E187 PolarHBondContact N-OE2 3.14Å; T184-E187 WeakPolarHBondContact O-CB 3.5Å; T184-E187 PolarHBondContact O-N 2.95Å; T184-E187 PolarHBondContact OG1-N 3.17Å; T184-E187 VanDerWaalsContact OG1-N 3.13Å; T184-M188 PolarHBondContact O-N 3.25Å; T184-M188 VanDerWaalsContact O-N 3.16Å; T184-P284 HydrophobicContact CG2-CG 3.99Å; T184-W285 HydrophobicContact CG2-CZ3 4.07Å |
| 185 | Y | 97.9 | Very high | 97 | Very high | 14 Ų | 14 | 48.1 Ų | 48.1 | 6% | 0.055 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.1 | -36.1 | 173.3 | -176.2 | -87.1 | 0 | 0 | 0 | 111.8 | W50 T121 R122 M188 I189 G251 | W50-Y185 HydrophobicContact CE3-CD2 4.08Å; W50-Y185 AromaticContact CE3-CE2 3.67Å; W50-Y185 HydrophobicContact CE3-CE2 3.67Å; W50-Y185 HydrophobicContact CZ3-CD2 4.23Å; W50-Y185 AromaticContact CZ3-CE2 3.82Å; W50-Y185 HydrophobicContact CZ3-CE2 3.82Å; T121-Y185 PolarHBondContact O-N 3.35Å; R122-Y185 HydrophobicContact CB-CG 4.42Å; R122-Y185 HydrophobicContact CG-CD1 4.18Å; R122-Y185 HydrophobicContact CG-CG 3.97Å; Y185-M188 HydrophobicContact CD2-CE 3.91Å; Y185-M188 HydrophobicContact CG-CE 4.42Å; Y185-M188 WeakPolarHBondContact O-CB 3.45Å; Y185-M188 PolarHBondContact O-N 3.3Å; Y185-I189 HydrophobicContact CD1-CG1 3.81Å; Y185-I189 HydrophobicContact CE1-CD1 3.78Å; Y185-I189 HydrophobicContact CE1-CG1 3.37Å; Y185-I189 WeakPolarHBondContact O-CG1 3.28Å; Y185-I189 PolarHBondContact O-N 3.36Å; Y185-G251 VanDerWaalsContact OH-CA 3.3Å; Y185-G251 WeakPolarHBondContact OH-CA 3.31Å; Y185-G251 PolarHBondContact OH-O 2.85Å |
| 186 | E | 97.6 | Very high | 97.3 | Very high | 23 Ų | 23 | 42.2 Ų | 42.2 | 11% | 0.107 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.1 | -39.8 | 178.1 | -60.8 | 71.1 | -160.9 | 0 | 0 | 111.3 | N123 T184 I189 K190 A253 W285 | N123-E186 WeakPolarHBondContact CB-OE1 3.3Å; N123-E186 PolarHBondContact N-OE1 3.05Å; T184-E186 VanDerWaalsContact CB-OE2 3.26Å; T184-E186 WeakPolarHBondContact CB-OE2 3.35Å; T184-E186 PolarHBondContact O-N 2.86Å; T184-E186 PolarHBondContact OG1-N 3.16Å; T184-E186 PolarHBondContact OG1-OE2 2.88Å; T184-E186 VanDerWaalsContact OG1-OE2 3.09Å; E186-I189 PolarHBondContact O-N 3.28Å; E186-K190 VanDerWaalsContact O-CB 3.26Å; E186-K190 WeakPolarHBondContact O-CB 3.44Å; E186-K190 PolarHBondContact O-N 3.41Å; E186-A253 HydrophobicContact CG-CB 4.09Å; E186-W285 VanDerWaalsContact CD-CZ3 3.49Å; E186-W285 HydrophobicContact CG-CE3 4.02Å; E186-W285 WeakPolarHBondContact OE2-CZ3 3.3Å |
| 187 | E | 96.5 | Very high | 97.4 | Very high | 58 Ų | 58 | 44.8 Ų | 44.8 | 27% | 0.271 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 170.9 | -70.1 | 176.9 | 121.2 | 0 | 0 | 111.1 | I183 T184 I189 K190 D191 V195 R198 | I183-E187 WeakPolarHBondContact CA-OE2 3.43Å; T184-E187 PolarHBondContact N-OE2 3.14Å; T184-E187 WeakPolarHBondContact O-CB 3.5Å; T184-E187 PolarHBondContact O-N 2.95Å; T184-E187 PolarHBondContact OG1-N 3.17Å; T184-E187 VanDerWaalsContact OG1-N 3.13Å; E187-I189 VanDerWaalsContact C-N 3.34Å; E187-I189 PolarHBondContact O-N 3.45Å; E187-K190 PolarHBondContact O-N 2.9Å; E187-D191 CarbonylContact O-C 3.31Å; E187-D191 PolarHBondContact O-N 3.49Å; E187-V195 HydrophobicContact CB-CG2 4.01Å; E187-R198 IonicContact OE1-CZ 3.54Å; E187-R198 IonicContact OE1-NH1 3.06Å; E187-R198 PolarHBondContact OE1-NH1 3.33Å; E187-R198 IonicContact OE2-NH1 3.87Å |
| 188 | M | 96.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.2 | -38.1 | 178.6 | -64.1 | -170.1 | -65.2 | 0 | 0 | 112.6 | W50 M51 I54 V120 I183 T184 Y185 L192 V195 | W50-M188 HydrophobicContact CD2-CE 4.28Å; W50-M188 HydrophobicContact CD2-SD 4.29Å; W50-M188 HydrophobicContact CE3-CB 4.04Å; W50-M188 HydrophobicContact CE3-CE 3.61Å; W50-M188 HydrophobicContact CE3-SD 4.1Å; W50-M188 HydrophobicContact CH2-CB 3.67Å; W50-M188 HydrophobicContact CZ2-CB 4.31Å; W50-M188 HydrophobicContact CZ3-CB 3.52Å; W50-M188 HydrophobicContact CZ3-CE 4.11Å; M51-M188 HydrophobicContact SD-SD 3.77Å; I54-M188 HydrophobicContact CD1-SD 4.41Å; V120-M188 HydrophobicContact CG1-CE 3.79Å; I183-M188 HydrophobicContact CG2-CG 3.77Å; I183-M188 HydrophobicContact CG2-SD 4.23Å; T184-M188 PolarHBondContact O-N 3.25Å; T184-M188 VanDerWaalsContact O-N 3.16Å; Y185-M188 HydrophobicContact CD2-CE 3.91Å; Y185-M188 HydrophobicContact CG-CE 4.42Å; Y185-M188 WeakPolarHBondContact O-CB 3.45Å; Y185-M188 PolarHBondContact O-N 3.3Å; M188-L192 HydrophobicContact CB-CD1 4.46Å; M188-L192 WeakPolarHBondContact O-CA 3.39Å; M188-L192 WeakPolarHBondContact O-CB 3.29Å; M188-L192 PolarHBondContact O-N 3.13Å; M188-V195 HydrophobicContact CG-CG1 4.07Å; M188-V195 HydrophobicContact CG-CG2 4.35Å |
| 189 | I | 95.3 | Very high | 97.5 | Very high | 70 Ų | 70 | 38.9 Ų | 38.9 | 36% | 0.359 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -68.4 | -41.3 | 175.8 | -69.8 | -68.6 | 0 | 0 | 0 | 111.5 | W50 Y185 E186 E187 G251 | W50-I189 HydrophobicContact CH2-CD1 3.65Å; W50-I189 HydrophobicContact CH2-CG1 4.14Å; W50-I189 HydrophobicContact CZ3-CD1 3.67Å; W50-I189 HydrophobicContact CZ3-CG1 3.95Å; Y185-I189 HydrophobicContact CD1-CG1 3.81Å; Y185-I189 HydrophobicContact CE1-CD1 3.78Å; Y185-I189 HydrophobicContact CE1-CG1 3.37Å; Y185-I189 WeakPolarHBondContact O-CG1 3.28Å; Y185-I189 PolarHBondContact O-N 3.36Å; E186-I189 PolarHBondContact O-N 3.28Å; E187-I189 VanDerWaalsContact C-N 3.34Å; E187-I189 PolarHBondContact O-N 3.45Å; I189-G251 WeakPolarHBondContact CD1-O 3.48Å |
| 190 | K | 95.3 | Very high | 97.6 | Very high | 189 Ų | 189 | 36.8 Ų | 36.8 | 82% | 0.822 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -72.1 | -45 | -175.9 | -176.6 | 178.4 | 179.7 | 179.7 | 0 | 112.2 | E186 E187 | E186-K190 VanDerWaalsContact O-CB 3.26Å; E186-K190 WeakPolarHBondContact O-CB 3.44Å; E186-K190 PolarHBondContact O-N 3.41Å; E187-K190 PolarHBondContact O-N 2.9Å |
| 191 | D | 96.5 | Very high | 97.5 | Very high | 86 Ų | 86 | 42.5 Ų | 42.5 | 46% | 0.46 | 19% | 0.194 | S | C | . | . | trans | -152.5 | 79.4 | -177.1 | 179.8 | 15.8 | 0 | 0 | 0 | 111 | E187 R193 G194 V195 | E187-D191 CarbonylContact O-C 3.31Å; E187-D191 PolarHBondContact O-N 3.49Å; D191-R193 PolarHBondContact O-N 2.94Å; D191-R193 PolarHBondContact OD1-N 3.41Å; D191-G194 PolarHBondContact O-N 3.14Å; D191-G194 PolarHBondContact OD1-N 2.95Å; D191-G194 WeakPolarHBondContact OD2-CA 3.25Å; D191-G194 PolarHBondContact OD2-N 3.09Å; D191-V195 WeakPolarHBondContact O-CG2 3.46Å; D191-V195 PolarHBondContact O-N 3.41Å; D191-V195 VanDerWaalsContact O-N 3.14Å | ||
| 192 | L | 97 | Very high | 97.5 | Very high | 21 Ų | 21 | 43 Ų | 43 | 11% | 0.11 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.1 | -37.6 | 176.8 | -178.4 | 61.3 | 0 | 0 | 0 | 111.9 | W50 I54 M188 V195 L196 A216 C219 | W50-L192 HydrophobicContact CZ2-CD1 3.91Å; W50-L192 HydrophobicContact CZ2-CD2 4Å; W50-L192 HydrophobicContact CZ2-CG 4.41Å; I54-L192 HydrophobicContact CD1-CD1 3.84Å; M188-L192 HydrophobicContact CB-CD1 4.46Å; M188-L192 WeakPolarHBondContact O-CA 3.39Å; M188-L192 WeakPolarHBondContact O-CB 3.29Å; M188-L192 PolarHBondContact O-N 3.13Å; L192-V195 PolarHBondContact O-N 3.22Å; L192-L196 HydrophobicContact CD1-CG 4.38Å; L192-L196 HydrophobicContact CG-CD1 4.07Å; L192-L196 HydrophobicContact CG-CG 4.34Å; L192-L196 VanDerWaalsContact O-CG 3.31Å; L192-L196 WeakPolarHBondContact O-CG 3.01Å; L192-L196 PolarHBondContact O-N 3.41Å; L192-A216 HydrophobicContact CD2-CB 4.32Å; L192-A216 WeakPolarHBondContact CD2-O 3.35Å; L192-C219 HydrophobicContact CD2-CB 3.95Å |
| 193 | R | 97.2 | Very high | 97.5 | Very high | 39 Ų | 39 | 40.9 Ų | 40.9 | 15% | 0.147 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.3 | -41.9 | -176.6 | 173.7 | 54.9 | -171.8 | 72.1 | -1.4 | 111.4 | D191 L196 E197 E209 L212 D213 A216 | D191-R193 PolarHBondContact O-N 2.94Å; D191-R193 PolarHBondContact OD1-N 3.41Å; R193-L196 PolarHBondContact O-N 3.33Å; R193-E197 IonicContact CZ-OE2 2.82Å; R193-E197 IonicContact NH1-OE2 3.77Å; R193-E197 PolarHBondContact NH1-OE2 3.34Å; R193-E197 IonicContact NH2-OE2 2.75Å; R193-E197 PolarHBondContact O-N 2.89Å; R193-E197 VanDerWaalsContact O-N 3.17Å; R193-E209 IonicContact CZ-OE2 2.79Å; R193-E209 IonicContact NH2-OE1 3.06Å; R193-E209 PolarHBondContact NH2-OE1 3.25Å; R193-E209 IonicContact NH2-OE2 3.97Å; R193-E209 PolarHBondContact NH2-OE2 3.01Å; R193-L212 VanDerWaalsContact CZ-CB 3.5Å; R193-L212 VanDerWaalsContact CZ-CD1 3.47Å; R193-L212 VanDerWaalsContact NH2-CD1 3.29Å; R193-D213 VanDerWaalsContact CD-OD1 3.26Å; R193-D213 WeakPolarHBondContact CD-OD1 3.47Å; R193-D213 IonicContact NE-OD1 2.86Å; R193-D213 PolarHBondContact NE-OD1 3.39Å; R193-A216 HydrophobicContact CB-CB 4.36Å |
| 194 | G | 97.8 | Very high | 97.5 | Very high | 17 Ų | 17 | 43.2 Ų | 43.2 | 18% | 0.175 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.7 | -36.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D191 E197 R198 | D191-G194 PolarHBondContact O-N 3.14Å; D191-G194 PolarHBondContact OD1-N 2.95Å; D191-G194 WeakPolarHBondContact OD2-CA 3.25Å; D191-G194 PolarHBondContact OD2-N 3.09Å; G194-E197 PolarHBondContact O-N 3.26Å; G194-R198 WeakPolarHBondContact O-CG 3.26Å; G194-R198 PolarHBondContact O-N 3.06Å; G194-R198 VanDerWaalsContact O-N 3.13Å |
| 195 | V | 98.1 | Very high | 97.4 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.4 | -42.6 | 173.8 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | I183 E187 M188 D191 L192 E197 R198 L199 | I183-V195 HydrophobicContact CD1-CG1 3.85Å; I183-V195 HydrophobicContact CG1-CG1 4.41Å; I183-V195 HydrophobicContact CG2-CG1 4.02Å; E187-V195 HydrophobicContact CB-CG2 4.01Å; M188-V195 HydrophobicContact CG-CG1 4.07Å; M188-V195 HydrophobicContact CG-CG2 4.35Å; D191-V195 WeakPolarHBondContact O-CG2 3.46Å; D191-V195 PolarHBondContact O-N 3.41Å; D191-V195 VanDerWaalsContact O-N 3.14Å; L192-V195 PolarHBondContact O-N 3.22Å; V195-E197 VanDerWaalsContact C-N 3.28Å; V195-E197 PolarHBondContact O-N 3.43Å; V195-R198 PolarHBondContact O-N 2.92Å; V195-L199 HydrophobicContact CG1-CD1 3.93Å; V195-L199 HydrophobicContact CG1-CG 4.39Å; V195-L199 WeakPolarHBondContact O-CG 3.43Å; V195-L199 PolarHBondContact O-N 3.21Å |
| 196 | L | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -38.3 | 176.4 | -75.4 | 169.1 | 0 | 0 | 0 | 112.1 | I54 V58 L192 R193 L199 S200 L212 V215 A216 | I54-L196 HydrophobicContact CB-CD2 4.45Å; I54-L196 HydrophobicContact CG1-CD2 4.34Å; I54-L196 HydrophobicContact CG2-CD2 3.43Å; I54-L196 VanDerWaalsContact CG2-CD2 3.43Å; V58-L196 HydrophobicContact CG2-CD2 4.02Å; L192-L196 HydrophobicContact CD1-CG 4.38Å; L192-L196 HydrophobicContact CG-CD1 4.07Å; L192-L196 HydrophobicContact CG-CG 4.34Å; L192-L196 VanDerWaalsContact O-CG 3.31Å; L192-L196 WeakPolarHBondContact O-CG 3.01Å; L192-L196 PolarHBondContact O-N 3.41Å; R193-L196 PolarHBondContact O-N 3.33Å; L196-L199 PolarHBondContact O-N 3.38Å; L196-S200 WeakPolarHBondContact O-CB 3.41Å; L196-S200 PolarHBondContact O-N 2.89Å; L196-L212 HydrophobicContact CB-CD2 3.81Å; L196-V215 HydrophobicContact CD1-CB 4.22Å; L196-V215 HydrophobicContact CD1-CG1 3.86Å; L196-V215 HydrophobicContact CD2-CG1 3.74Å; L196-V215 HydrophobicContact CG-CG1 4.48Å; L196-A216 HydrophobicContact CD1-CB 3.69Å |
| 197 | E | 98.3 | Very high | 97.2 | Very high | 58 Ų | 58 | 52.8 Ų | 52.8 | 27% | 0.271 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 176.1 | -157.6 | -178.7 | 147.6 | 0 | 0 | 112 | R193 G194 V195 L199 S200 R201 L212 | R193-E197 IonicContact CZ-OE2 2.82Å; R193-E197 IonicContact NH1-OE2 3.77Å; R193-E197 PolarHBondContact NH1-OE2 3.34Å; R193-E197 IonicContact NH2-OE2 2.75Å; R193-E197 PolarHBondContact O-N 2.89Å; R193-E197 VanDerWaalsContact O-N 3.17Å; G194-E197 PolarHBondContact O-N 3.26Å; V195-E197 VanDerWaalsContact C-N 3.28Å; V195-E197 PolarHBondContact O-N 3.43Å; E197-L199 VanDerWaalsContact C-N 3.35Å; E197-L199 PolarHBondContact O-N 3.36Å; E197-S200 PolarHBondContact O-N 2.82Å; E197-R201 WeakPolarHBondContact O-CG 3.28Å; E197-R201 PolarHBondContact O-N 3.07Å; E197-R201 IonicContact OE1-CZ 3.39Å; E197-R201 IonicContact OE1-NE 3.88Å; E197-R201 IonicContact OE1-NH2 2.87Å; E197-R201 PolarHBondContact OE1-NH2 3.18Å; E197-R201 IonicContact OE2-NH2 2.82Å; E197-L212 HydrophobicContact CB-CD1 4.33Å; E197-L212 HydrophobicContact CG-CD1 4.08Å |
| 198 | R | 98.3 | Very high | 97.3 | Very high | 80 Ų | 80 | 52.9 Ų | 52.9 | 30% | 0.302 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 173.9 | -73.3 | 170.3 | 59 | -165 | -4.2 | 111.4 | Y182 E187 G194 V195 F202 | Y182-R198 PolarHBondContact O-NH2 3.01Å; E187-R198 IonicContact OE1-CZ 3.54Å; E187-R198 IonicContact OE1-NH1 3.06Å; E187-R198 PolarHBondContact OE1-NH1 3.33Å; E187-R198 IonicContact OE2-NH1 3.87Å; G194-R198 WeakPolarHBondContact O-CG 3.26Å; G194-R198 PolarHBondContact O-N 3.06Å; G194-R198 VanDerWaalsContact O-N 3.13Å; V195-R198 PolarHBondContact O-N 2.92Å; R198-F202 VanDerWaalsContact O-CB 3.22Å; R198-F202 WeakPolarHBondContact O-CB 3.26Å; R198-F202 PolarHBondContact O-N 3.3Å |
| 199 | L | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 176.5 | -79.8 | 167.1 | 0 | 0 | 0 | 111.9 | M51 I54 I118 L181 I183 V195 L196 E197 R201 F202 L203 | M51-L199 HydrophobicContact CE-CD1 3.9Å; M51-L199 HydrophobicContact CE-CD2 4.14Å; I54-L199 HydrophobicContact CG2-CD1 3.71Å; I118-L199 HydrophobicContact CD1-CD2 3.52Å; I118-L199 HydrophobicContact CG1-CD2 3.83Å; I118-L199 HydrophobicContact CG2-CD2 4.06Å; L181-L199 HydrophobicContact CD2-CD2 3.85Å; L181-L199 HydrophobicContact CD2-CG 4.3Å; I183-L199 HydrophobicContact CD1-CD1 4.06Å; I183-L199 HydrophobicContact CD1-CD2 3.66Å; I183-L199 HydrophobicContact CD1-CG 3.77Å; V195-L199 HydrophobicContact CG1-CD1 3.93Å; V195-L199 HydrophobicContact CG1-CG 4.39Å; V195-L199 WeakPolarHBondContact O-CG 3.43Å; V195-L199 PolarHBondContact O-N 3.21Å; L196-L199 PolarHBondContact O-N 3.38Å; E197-L199 VanDerWaalsContact C-N 3.35Å; E197-L199 PolarHBondContact O-N 3.36Å; L199-R201 PolarHBondContact O-N 3.35Å; L199-F202 PolarHBondContact O-N 3.48Å; L199-L203 WeakPolarHBondContact O-CB 3.39Å; L199-L203 VanDerWaalsContact O-CG 3.28Å; L199-L203 WeakPolarHBondContact O-CG 3.43Å; L199-L203 PolarHBondContact O-N 2.83Å |
| 200 | S | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.8 | -48.4 | 178.1 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | L196 E197 L203 G204 R205 D206 L207 | L196-S200 WeakPolarHBondContact O-CB 3.41Å; L196-S200 PolarHBondContact O-N 2.89Å; E197-S200 PolarHBondContact O-N 2.82Å; S200-L203 PolarHBondContact O-N 2.9Å; S200-G204 PolarHBondContact O-N 2.98Å; S200-G204 VanDerWaalsContact O-N 3.08Å; S200-R205 PolarHBondContact O-N 3.11Å; S200-D206 WeakPolarHBondContact OG-CA 3.46Å; S200-D206 PolarHBondContact OG-N 3.05Å; S200-L207 WeakPolarHBondContact OG-CG 3.36Å; S200-L207 PolarHBondContact OG-N 3.28Å |
| 201 | R | 98.3 | Very high | 97.6 | Very high | 136 Ų | 136 | 54.1 Ų | 54.1 | 51% | 0.513 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.9 | -46.2 | 175.8 | -69 | -171.3 | -120.2 | 120.3 | -9.5 | 111.9 | E197 L199 L203 G204 | E197-R201 WeakPolarHBondContact O-CG 3.28Å; E197-R201 PolarHBondContact O-N 3.07Å; E197-R201 IonicContact OE1-CZ 3.39Å; E197-R201 IonicContact OE1-NE 3.88Å; E197-R201 IonicContact OE1-NH2 2.87Å; E197-R201 PolarHBondContact OE1-NH2 3.18Å; E197-R201 IonicContact OE2-NH2 2.82Å; L199-R201 PolarHBondContact O-N 3.35Å; R201-L203 VanDerWaalsContact C-N 3.28Å; R201-L203 PolarHBondContact O-N 3.38Å; R201-G204 PolarHBondContact O-N 3.13Å |
| 202 | F | 98.6 | Very high | 97.6 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 15% | 0.149 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.7 | -38.2 | 178.3 | 174.6 | -108.6 | 0 | 0 | 0 | 112.4 | K116 V117 I118 D178 R179 L181 R198 L199 G204 | K116-F202 HydrophobicContact CB-CE1 3.85Å; K116-F202 HydrophobicContact CB-CZ 3.84Å; K116-F202 HydrophobicContact CD-CE1 4.12Å; K116-F202 HydrophobicContact CD-CZ 4.15Å; K116-F202 WeakPolarHBondContact CE-O 3.45Å; K116-F202 HydrophobicContact CG-CE1 4.35Å; K116-F202 HydrophobicContact CG-CZ 4.1Å; K116-F202 PolarHBondContact NZ-O 3.45Å; V117-F202 WeakPolarHBondContact O-CZ 3.22Å; I118-F202 HydrophobicContact CG1-CD1 4.31Å; I118-F202 HydrophobicContact CG1-CE1 3.98Å; D178-F202 WeakPolarHBondContact O-CE2 3.38Å; R179-F202 WeakPolarHBondContact O-CZ 3.47Å; L181-F202 HydrophobicContact CB-CD1 3.82Å; L181-F202 HydrophobicContact CB-CD2 3.91Å; L181-F202 HydrophobicContact CB-CE1 3.77Å; L181-F202 HydrophobicContact CB-CE2 3.85Å; L181-F202 HydrophobicContact CB-CG 3.88Å; L181-F202 HydrophobicContact CB-CZ 3.78Å; L181-F202 HydrophobicContact CD2-CB 3.87Å; L181-F202 HydrophobicContact CD2-CD1 3.95Å; L181-F202 HydrophobicContact CD2-CG 3.89Å; L181-F202 HydrophobicContact CG-CG 4.42Å; R198-F202 VanDerWaalsContact O-CB 3.22Å; R198-F202 WeakPolarHBondContact O-CB 3.26Å; R198-F202 PolarHBondContact O-N 3.3Å; L199-F202 PolarHBondContact O-N 3.48Å; F202-G204 VanDerWaalsContact C-N 3.33Å |
| 203 | L | 98.1 | Very high | 97.7 | Very high | 14 Ų | 14 | 53.3 Ų | 53.3 | 7% | 0.073 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -3.3 | 178.2 | -63.5 | 178.4 | 0 | 0 | 0 | 113.5 | I38 V58 L59 K116 I118 L199 S200 R201 R205 | I38-L203 HydrophobicContact CD1-CD2 3.59Å; I38-L203 HydrophobicContact CG1-CD2 4.15Å; I38-L203 HydrophobicContact CG2-CD2 3.96Å; V58-L203 HydrophobicContact CB-CD1 4.29Å; V58-L203 HydrophobicContact CG1-CD1 3.81Å; L59-L203 HydrophobicContact CD2-CD1 4.11Å; K116-L203 HydrophobicContact CD-CD2 4.22Å; I118-L203 HydrophobicContact CD1-CD1 4.44Å; I118-L203 HydrophobicContact CD1-CD2 4.47Å; L199-L203 WeakPolarHBondContact O-CB 3.39Å; L199-L203 VanDerWaalsContact O-CG 3.28Å; L199-L203 WeakPolarHBondContact O-CG 3.43Å; L199-L203 PolarHBondContact O-N 2.83Å; S200-L203 PolarHBondContact O-N 2.9Å; R201-L203 VanDerWaalsContact C-N 3.28Å; R201-L203 PolarHBondContact O-N 3.38Å; L203-R205 HydrophobicContact CB-CG 4.16Å |
| 204 | G | 97 | Very high | 97.6 | Very high | 48 Ų | 48 | 57 Ų | 57 | 50% | 0.495 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 36.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S200 R201 F202 | S200-G204 PolarHBondContact O-N 2.98Å; S200-G204 VanDerWaalsContact O-N 3.08Å; R201-G204 PolarHBondContact O-N 3.13Å; F202-G204 VanDerWaalsContact C-N 3.33Å |
| 205 | R | 96.4 | Very high | 97.6 | Very high | 103 Ų | 103 | 56.2 Ų | 56.2 | 39% | 0.389 | 27% | 0.273 | S | S | . | . | trans | -104.2 | -25 | -178.2 | -62.6 | -61.4 | -178.4 | -174.8 | 2.8 | 113.9 | V58 P94 S200 L203 L207 | V58-R205 HydrophobicContact CG1-CB 4.38Å; V58-R205 HydrophobicContact CG1-CG 4.31Å; V58-R205 WeakPolarHBondContact O-CG 3.28Å; P94-R205 VanDerWaalsContact CG-NH2 3.26Å; S200-R205 PolarHBondContact O-N 3.11Å; L203-R205 HydrophobicContact CB-CG 4.16Å; R205-L207 HydrophobicContact CB-CD2 4.26Å; R205-L207 HydrophobicContact CB-CG 4.36Å; R205-L207 PolarHBondContact O-N 2.61Å; R205-L207 VanDerWaalsContact O-N 3.14Å | ||
| 206 | D | 94.3 | Very high | 97.6 | Very high | 122 Ų | 122 | 56.8 Ų | 56.8 | 65% | 0.652 | 28% | 0.278 | S | S | * | . | trans | 44.1 | 47.9 | 175.5 | -60 | -49.2 | 0 | 0 | 0 | 113.8 | S200 | S200-D206 WeakPolarHBondContact OG-CA 3.46Å; S200-D206 PolarHBondContact OG-N 3.05Å | ||
| 207 | L | 97.4 | Very high | 97.4 | Very high | 24 Ų | 24 | 61.9 Ų | 61.9 | 13% | 0.126 | 31% | 0.305 | C | S | . | . | trans | -54.6 | 144.7 | 178 | -60.5 | -174.6 | 0 | 0 | 0 | 112.7 | V58 S200 R205 T211 L212 | V58-L207 HydrophobicContact CB-CD1 4.48Å; V58-L207 HydrophobicContact CG1-CD1 4.27Å; V58-L207 HydrophobicContact CG2-CD1 4.47Å; S200-L207 WeakPolarHBondContact OG-CG 3.36Å; S200-L207 PolarHBondContact OG-N 3.28Å; R205-L207 HydrophobicContact CB-CD2 4.26Å; R205-L207 HydrophobicContact CB-CG 4.36Å; R205-L207 PolarHBondContact O-N 2.61Å; R205-L207 VanDerWaalsContact O-N 3.14Å; L207-T211 HydrophobicContact CB-CG2 4.36Å; L207-T211 HydrophobicContact CD1-CG2 4.08Å; L207-T211 HydrophobicContact CD2-CG2 4.28Å; L207-T211 HydrophobicContact CG-CG2 4.49Å; L207-L212 HydrophobicContact CB-CD2 3.94Å; L207-L212 HydrophobicContact CB-CG 3.92Å; L207-L212 HydrophobicContact CD1-CD2 4.06Å | ||
| 208 | S | 98 | Very high | 97.2 | Very high | 60 Ų | 60 | 60.3 Ų | 60.3 | 42% | 0.42 | 30% | 0.298 | S | S | . | . | trans | -67.6 | 154.9 | 174.9 | 67.6 | 0 | 0 | 0 | 0 | 112.2 | E210 T211 L212 | S208-E210 VanDerWaalsContact C-N 3.27Å; S208-E210 PolarHBondContact O-N 3Å; S208-T211 WeakPolarHBondContact O-CB 3.44Å; S208-T211 PolarHBondContact O-N 3.3Å; S208-T211 PolarHBondContact OG-N 3.43Å; S208-T211 PolarHBondContact OG-OG1 3.42Å; S208-L212 WeakPolarHBondContact O-CG 3.43Å; S208-L212 PolarHBondContact O-N 2.98Å | ||
| 209 | E | 97.4 | Very high | 97.1 | Very high | 116 Ų | 116 | 56.5 Ų | 56.5 | 54% | 0.542 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -48 | -48.6 | 173.1 | -65.1 | -64.4 | 120.9 | 0 | 0 | 112.3 | R193 T211 L212 D213 | R193-E209 IonicContact CZ-OE2 2.79Å; R193-E209 IonicContact NH2-OE1 3.06Å; R193-E209 PolarHBondContact NH2-OE1 3.25Å; R193-E209 IonicContact NH2-OE2 3.97Å; R193-E209 PolarHBondContact NH2-OE2 3.01Å; E209-T211 VanDerWaalsContact C-N 3.33Å; E209-T211 PolarHBondContact O-N 3.48Å; E209-L212 PolarHBondContact O-N 3.09Å; E209-D213 PolarHBondContact O-N 3.1Å |
| 210 | E | 97.5 | Very high | 96.8 | Very high | 152 Ų | 152 | 58.1 Ų | 58.1 | 71% | 0.71 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -59.8 | -41.7 | 177.9 | -175.5 | -173.4 | 171.6 | 0 | 0 | 112.5 | S208 R214 | S208-E210 VanDerWaalsContact C-N 3.27Å; S208-E210 PolarHBondContact O-N 3Å; E210-R214 WeakPolarHBondContact O-CB 3.31Å; E210-R214 PolarHBondContact O-N 2.83Å |
| 211 | T | 97.8 | Very high | 96.3 | Very high | 19 Ų | 19 | 60.7 Ų | 60.7 | 12% | 0.117 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.5 | -43 | 178.3 | -57.1 | 0 | 0 | 0 | 0 | 110.5 | G61 L207 S208 E209 D213 R214 V215 | G61-T211 VanDerWaalsContact O-CG2 3.3Å; G61-T211 WeakPolarHBondContact O-CG2 3.19Å; L207-T211 HydrophobicContact CB-CG2 4.36Å; L207-T211 HydrophobicContact CD1-CG2 4.08Å; L207-T211 HydrophobicContact CD2-CG2 4.28Å; L207-T211 HydrophobicContact CG-CG2 4.49Å; S208-T211 WeakPolarHBondContact O-CB 3.44Å; S208-T211 PolarHBondContact O-N 3.3Å; S208-T211 PolarHBondContact OG-N 3.43Å; S208-T211 PolarHBondContact OG-OG1 3.42Å; E209-T211 VanDerWaalsContact C-N 3.33Å; E209-T211 PolarHBondContact O-N 3.48Å; T211-D213 VanDerWaalsContact C-N 3.34Å; T211-D213 PolarHBondContact O-N 3.23Å; T211-R214 PolarHBondContact O-N 2.9Å; T211-V215 HydrophobicContact CG2-CG2 4.35Å; T211-V215 WeakPolarHBondContact O-CB 3.48Å; T211-V215 VanDerWaalsContact O-CG2 3.29Å; T211-V215 WeakPolarHBondContact O-CG2 3.44Å; T211-V215 PolarHBondContact O-N 2.85Å |
| 212 | L | 98.1 | Very high | 96 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.4 | -42 | 178.8 | -68.5 | 166.9 | 0 | 0 | 0 | 111.2 | R193 L196 E197 L207 S208 E209 V215 A216 | R193-L212 VanDerWaalsContact CZ-CB 3.5Å; R193-L212 VanDerWaalsContact CZ-CD1 3.47Å; R193-L212 VanDerWaalsContact NH2-CD1 3.29Å; L196-L212 HydrophobicContact CB-CD2 3.81Å; E197-L212 HydrophobicContact CB-CD1 4.33Å; E197-L212 HydrophobicContact CG-CD1 4.08Å; L207-L212 HydrophobicContact CB-CD2 3.94Å; L207-L212 HydrophobicContact CB-CG 3.92Å; L207-L212 HydrophobicContact CD1-CD2 4.06Å; S208-L212 WeakPolarHBondContact O-CG 3.43Å; S208-L212 PolarHBondContact O-N 2.98Å; E209-L212 PolarHBondContact O-N 3.09Å; L212-V215 PolarHBondContact O-N 3.37Å; L212-A216 VanDerWaalsContact O-CB 3.28Å; L212-A216 WeakPolarHBondContact O-CB 3.37Å; L212-A216 PolarHBondContact O-N 2.86Å |
| 213 | D | 97.3 | Very high | 95.7 | Very high | 88 Ų | 88 | 58.8 Ų | 58.8 | 47% | 0.471 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 176.6 | -69 | -14.7 | 0 | 0 | 0 | 111.9 | R193 E209 T211 A216 N217 | R193-D213 VanDerWaalsContact CD-OD1 3.26Å; R193-D213 WeakPolarHBondContact CD-OD1 3.47Å; R193-D213 IonicContact NE-OD1 2.86Å; R193-D213 PolarHBondContact NE-OD1 3.39Å; E209-D213 PolarHBondContact O-N 3.1Å; T211-D213 VanDerWaalsContact C-N 3.34Å; T211-D213 PolarHBondContact O-N 3.23Å; D213-A216 PolarHBondContact O-N 3.06Å; D213-N217 WeakPolarHBondContact O-CB 3.49Å; D213-N217 PolarHBondContact O-N 2.83Å |
| 214 | R | 96.8 | Very high | 95.4 | Very high | 115 Ų | 115 | 58.4 Ų | 58.4 | 43% | 0.434 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 175.7 | -176.6 | 175.6 | 68.2 | -165.8 | -1.1 | 111.6 | G61 G62 E210 T211 N217 H218 | G61-R214 PolarHBondContact O-NH2 3.37Å; G62-R214 PolarHBondContact O-NH2 3.1Å; E210-R214 WeakPolarHBondContact O-CB 3.31Å; E210-R214 PolarHBondContact O-N 2.83Å; T211-R214 PolarHBondContact O-N 2.9Å; R214-N217 PolarHBondContact O-N 3.28Å; R214-H218 PolarHBondContact O-N 3.13Å |
| 215 | V | 97.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 177.8 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | L57 L196 T211 L212 N217 H218 C219 | L57-V215 HydrophobicContact CB-CG1 4Å; L57-V215 HydrophobicContact CB-CG2 4.06Å; L57-V215 HydrophobicContact CD1-CG1 3.98Å; L57-V215 HydrophobicContact CD1-CG2 4.46Å; L196-V215 HydrophobicContact CD1-CB 4.22Å; L196-V215 HydrophobicContact CD1-CG1 3.86Å; L196-V215 HydrophobicContact CD2-CG1 3.74Å; L196-V215 HydrophobicContact CG-CG1 4.48Å; T211-V215 HydrophobicContact CG2-CG2 4.35Å; T211-V215 WeakPolarHBondContact O-CB 3.48Å; T211-V215 VanDerWaalsContact O-CG2 3.29Å; T211-V215 WeakPolarHBondContact O-CG2 3.44Å; T211-V215 PolarHBondContact O-N 2.85Å; L212-V215 PolarHBondContact O-N 3.37Å; V215-N217 VanDerWaalsContact C-N 3.32Å; V215-N217 PolarHBondContact O-N 3.19Å; V215-H218 PolarHBondContact O-N 3.43Å; V215-C219 VanDerWaalsContact O-CB 3.28Å; V215-C219 WeakPolarHBondContact O-CB 3.26Å; V215-C219 PolarHBondContact O-N 3.31Å; V215-C219 PolarHBondContact O-SG 2.99Å |
| 216 | A | 96.7 | Very high | 95 | Very high | 16 Ų | 16 | 62.1 Ų | 62.1 | 13% | 0.132 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.7 | -44.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L192 R193 L196 L212 D213 C219 C220 | L192-A216 HydrophobicContact CD2-CB 4.32Å; L192-A216 WeakPolarHBondContact CD2-O 3.35Å; R193-A216 HydrophobicContact CB-CB 4.36Å; L196-A216 HydrophobicContact CD1-CB 3.69Å; L212-A216 VanDerWaalsContact O-CB 3.28Å; L212-A216 WeakPolarHBondContact O-CB 3.37Å; L212-A216 PolarHBondContact O-N 2.86Å; D213-A216 PolarHBondContact O-N 3.06Å; A216-C219 PolarHBondContact O-N 2.94Å; A216-C220 PolarHBondContact O-N 3.27Å |
| 217 | N | 95.1 | Very high | 95 | Very high | 109 Ų | 109 | 57.3 Ų | 57.3 | 58% | 0.583 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.3 | -46.2 | 177.1 | -174.4 | 39.8 | 0 | 0 | 0 | 111.7 | D213 R214 V215 C219 C220 N223 | D213-N217 WeakPolarHBondContact O-CB 3.49Å; D213-N217 PolarHBondContact O-N 2.83Å; R214-N217 PolarHBondContact O-N 3.28Å; V215-N217 VanDerWaalsContact C-N 3.32Å; V215-N217 PolarHBondContact O-N 3.19Å; N217-C219 PolarHBondContact O-N 3.46Å; N217-C220 PolarHBondContact O-N 2.99Å; N217-C220 PolarHBondContact O-SG 2.9Å; N217-N223 PolarHBondContact O-ND2 3.46Å |
| 218 | H | 94.9 | Very high | 94.9 | Very high | 25 Ų | 25 | 57.7 Ų | 57.7 | 12% | 0.116 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 177.7 | -179.4 | 82.5 | 0 | 0 | 0 | 112.2 | E53 L64 R214 V215 C220 N223 | E53-H218 IonicContact OE1-CD2 2.6Å; E53-H218 IonicContact OE1-CE1 3.66Å; E53-H218 IonicContact OE1-NE2 3.92Å; E53-H218 PolarHBondContact OE1-NE2 3.08Å; L64-H218 HydrophobicContact CD2-CB 3.96Å; R214-H218 PolarHBondContact O-N 3.13Å; V215-H218 PolarHBondContact O-N 3.43Å; H218-C220 PolarHBondContact O-N 3.41Å; H218-N223 VanDerWaalsContact O-CB 3.28Å; H218-N223 WeakPolarHBondContact O-CB 3.32Å |
| 219 | C | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 3.8 | -177.3 | -69.4 | 0 | 0 | 0 | 0 | 114 | W50 I54 L192 V215 A216 N217 | W50-C219 PolarHBondContact NE1-O 2.83Å; I54-C219 HydrophobicContact CG1-CB 4.04Å; L192-C219 HydrophobicContact CD2-CB 3.95Å; V215-C219 VanDerWaalsContact O-CB 3.28Å; V215-C219 WeakPolarHBondContact O-CB 3.26Å; V215-C219 PolarHBondContact O-N 3.31Å; V215-C219 PolarHBondContact O-SG 2.99Å; A216-C219 PolarHBondContact O-N 2.94Å; N217-C219 PolarHBondContact O-N 3.46Å |
| 220 | C | 91.9 | Very high | 94.7 | Very high | 35 Ų | 35 | 51 Ų | 51 | 24% | 0.236 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -67.4 | 150.3 | 173.8 | 76.3 | 0 | 0 | 0 | 0 | 111 | A216 N217 H218 S222 N223 M224 | A216-C220 PolarHBondContact O-N 3.27Å; N217-C220 PolarHBondContact O-N 2.99Å; N217-C220 PolarHBondContact O-SG 2.9Å; H218-C220 PolarHBondContact O-N 3.41Å; C220-S222 VanDerWaalsContact C-N 3.28Å; C220-S222 PolarHBondContact O-N 3.48Å; C220-S222 PolarHBondContact SG-OG 2.94Å; C220-N223 PolarHBondContact O-N 2.89Å; C220-N223 PolarHBondContact SG-ND2 3.43Å; C220-M224 PolarHBondContact O-N 2.92Å |
| 221 | F | 89.1 | Confident | 94.5 | Very high | 56 Ų | 56 | 45.2 Ų | 45.2 | 25% | 0.246 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.5 | -40.6 | -173.2 | 177.7 | -100.5 | 0 | 0 | 0 | 113.4 | N223 K225 L248 K250 G251 | F221-N223 VanDerWaalsContact C-N 3.3Å; F221-N223 PolarHBondContact O-N 2.89Å; F221-K225 HydrophobicContact CE1-CD 4.08Å; F221-K225 HydrophobicContact CZ-CD 4.23Å; F221-K225 VanDerWaalsContact O-CB 3.3Å; F221-K225 WeakPolarHBondContact O-CB 3.49Å; F221-K225 PolarHBondContact O-N 3.4Å; F221-L248 HydrophobicContact CE2-CB 3.78Å; F221-L248 HydrophobicContact CE2-CD2 4.38Å; F221-L248 HydrophobicContact CZ-CB 4.11Å; F221-K250 WeakPolarHBondContact CE1-O 3.42Å; F221-G251 VanDerWaalsContact CD2-CA 3.42Å; F221-G251 VanDerWaalsContact CE2-CA 3.41Å |
| 222 | S | 90.2 | Very high | 94.3 | Very high | 72 Ų | 72 | 45.7 Ų | 45.7 | 50% | 0.503 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.8 | -37.7 | 179.2 | 47 | 0 | 0 | 0 | 0 | 112.5 | C220 L226 | C220-S222 VanDerWaalsContact C-N 3.28Å; C220-S222 PolarHBondContact O-N 3.48Å; C220-S222 PolarHBondContact SG-OG 2.94Å; S222-L226 WeakPolarHBondContact O-CG 3.34Å |
| 223 | N | 92.1 | Very high | 94.1 | Very high | 57 Ų | 57 | 49.3 Ų | 49.3 | 31% | 0.305 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -78.9 | -44.8 | -178.8 | -71 | -9.1 | 0 | 0 | 0 | 111.2 | N217 H218 C220 F221 K225 L226 N227 | N217-N223 PolarHBondContact O-ND2 3.46Å; H218-N223 VanDerWaalsContact O-CB 3.28Å; H218-N223 WeakPolarHBondContact O-CB 3.32Å; C220-N223 PolarHBondContact O-N 2.89Å; C220-N223 PolarHBondContact SG-ND2 3.43Å; F221-N223 VanDerWaalsContact C-N 3.3Å; F221-N223 PolarHBondContact O-N 2.89Å; N223-K225 PolarHBondContact O-N 2.84Å; N223-L226 PolarHBondContact O-N 2.76Å; N223-N227 PolarHBondContact O-N 2.75Å |
| 224 | M | 93.3 | Very high | 93.9 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.2 | -35.9 | 174.8 | -73.5 | -167.7 | 64.5 | 0 | 0 | 112.6 | T49 W50 E53 C220 L226 N227 L248 | T49-M224 HydrophobicContact CG2-CE 4.15Å; W50-M224 HydrophobicContact CG-SD 4.24Å; E53-M224 HydrophobicContact CB-CE 3.54Å; E53-M224 HydrophobicContact CB-SD 3.92Å; E53-M224 HydrophobicContact CG-CE 3.94Å; E53-M224 HydrophobicContact CG-CG 4.21Å; E53-M224 HydrophobicContact CG-SD 4.05Å; C220-M224 PolarHBondContact O-N 2.92Å; M224-L226 PolarHBondContact O-N 3.22Å; M224-N227 PolarHBondContact O-N 3.21Å; M224-N227 VanDerWaalsContact O-N 3.11Å; M224-L248 HydrophobicContact CB-CD1 4.12Å |
| 225 | K | 91.8 | Very high | 93.8 | Very high | 87 Ų | 87 | 45.1 Ų | 45.1 | 38% | 0.378 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -26.5 | 177.1 | -169.8 | 169.9 | -179.1 | 173.6 | 0 | 113.3 | F221 N223 N231 L248 | F221-K225 HydrophobicContact CE1-CD 4.08Å; F221-K225 HydrophobicContact CZ-CD 4.23Å; F221-K225 VanDerWaalsContact O-CB 3.3Å; F221-K225 WeakPolarHBondContact O-CB 3.49Å; F221-K225 PolarHBondContact O-N 3.4Å; N223-K225 PolarHBondContact O-N 2.84Å; K225-N231 PolarHBondContact O-ND2 2.78Å; K225-L248 HydrophobicContact CB-CD1 4.35Å; K225-L248 HydrophobicContact CG-CB 4.38Å |
| 226 | L | 92.7 | Very high | 93.7 | Very high | 142 Ų | 142 | 48.2 Ų | 48.2 | 74% | 0.743 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -15.2 | 178.1 | -59.3 | 174.4 | 0 | 0 | 0 | 113 | S222 N223 M224 A228 | S222-L226 WeakPolarHBondContact O-CG 3.34Å; N223-L226 PolarHBondContact O-N 2.76Å; M224-L226 PolarHBondContact O-N 3.22Å; L226-A228 PolarHBondContact O-N 3.49Å |
| 227 | N | 94.6 | Very high | 93.5 | Very high | 22 Ų | 22 | 52.5 Ų | 52.5 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | trans | -82.9 | 107.9 | -179.1 | -174.4 | 6.3 | 0 | 0 | 0 | 111.3 | E53 V67 N223 M224 M229 S230 N231 | E53-N227 PolarHBondContact OE1-ND2 3.06Å; V67-N227 PolarHBondContact O-ND2 3.36Å; N223-N227 PolarHBondContact O-N 2.75Å; M224-N227 PolarHBondContact O-N 3.21Å; M224-N227 VanDerWaalsContact O-N 3.11Å; N227-M229 PolarHBondContact O-N 3.47Å; N227-M229 VanDerWaalsContact O-N 3.13Å; N227-M229 WeakPolarHBondContact OD1-CB 3.39Å; N227-M229 PolarHBondContact OD1-N 3.03Å; N227-M229 VanDerWaalsContact OD1-N 3.11Å; N227-S230 PolarHBondContact ND2-OG 2.95Å; N227-S230 PolarHBondContact O-N 2.75Å; N227-N231 WeakPolarHBondContact O-CB 3.07Å; N227-N231 PolarHBondContact O-N 3.45Å; N227-N231 PolarHBondContact O-OD1 2.91Å | ||
| 228 | A | 95.8 | Very high | 93.4 | Very high | 32 Ų | 32 | 54.4 Ų | 54.4 | 26% | 0.264 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -26.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | L226 S230 N231 L234 | L226-A228 PolarHBondContact O-N 3.49Å; A228-S230 PolarHBondContact O-N 3.12Å; A228-N231 WeakPolarHBondContact CA-OD1 3.3Å; A228-L234 HydrophobicContact CB-CD2 4.44Å; A228-L234 HydrophobicContact CB-CG 4.48Å; A228-L234 WeakPolarHBondContact O-CG 3.4Å |
| 229 | M | 97.2 | Very high | 93.3 | Very high | 36 Ų | 36 | 55.4 Ų | 55.4 | 18% | 0.177 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -10 | 178.2 | -61.5 | -57.4 | 139.9 | 0 | 0 | 113.7 | V67 Q68 P71 N72 N227 L234 | V67-M229 VanDerWaalsContact O-CB 3.31Å; V67-M229 WeakPolarHBondContact O-CB 3.28Å; Q68-M229 WeakPolarHBondContact O-CG 3.23Å; P71-M229 CarbonylContact C-O 3.55Å; P71-M229 WeakPolarHBondContact CA-O 3.33Å; P71-M229 HydrophobicContact CG-SD 3.89Å; N72-M229 PolarHBondContact N-O 2.62Å; N72-M229 PolarHBondContact OD1-O 2.91Å; N227-M229 PolarHBondContact O-N 3.47Å; N227-M229 VanDerWaalsContact O-N 3.13Å; N227-M229 WeakPolarHBondContact OD1-CB 3.39Å; N227-M229 PolarHBondContact OD1-N 3.03Å; N227-M229 VanDerWaalsContact OD1-N 3.11Å; M229-L234 HydrophobicContact CE-CD1 3.77Å; M229-L234 HydrophobicContact SD-CD1 3.73Å |
| 230 | S | 93.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.4 | -15.8 | -173.7 | -51.9 | 0 | 0 | 0 | 0 | 113.7 | T49 E53 N227 A228 | T49-S230 VanDerWaalsContact CG2-O 3.26Å; T49-S230 WeakPolarHBondContact CG2-O 3.34Å; E53-S230 VanDerWaalsContact CD-OG 3.3Å; E53-S230 PolarHBondContact OE1-OG 3.43Å; E53-S230 PolarHBondContact OE2-OG 3.13Å; N227-S230 PolarHBondContact ND2-OG 2.95Å; N227-S230 PolarHBondContact O-N 2.75Å; A228-S230 PolarHBondContact O-N 3.12Å |
| 231 | N | 92.6 | Very high | 93.4 | Very high | 30 Ų | 30 | 56 Ų | 56 | 16% | 0.16 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -92.1 | -0.2 | -177.9 | 73.8 | 5.5 | 0 | 0 | 0 | 114.5 | K225 N227 A228 S233 L248 | K225-N231 PolarHBondContact O-ND2 2.78Å; N227-N231 WeakPolarHBondContact O-CB 3.07Å; N227-N231 PolarHBondContact O-N 3.45Å; N227-N231 PolarHBondContact O-OD1 2.91Å; A228-N231 WeakPolarHBondContact CA-OD1 3.3Å; N231-S233 VanDerWaalsContact C-N 3.31Å; N231-S233 PolarHBondContact O-N 2.81Å; N231-S233 VanDerWaalsContact OD1-CB 3.26Å; N231-S233 WeakPolarHBondContact OD1-CB 3.45Å; N231-S233 PolarHBondContact OD1-N 2.68Å; N231-S233 PolarHBondContact OD1-OG 3.31Å; N231-L248 HydrophobicContact CB-CD1 3.91Å |
| 232 | Y | 94.1 | Very high | 93.4 | Very high | 28 Ų | 28 | 56.8 Ų | 56.8 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | S | Bend | trans | 68.6 | 14.9 | -178.9 | -68.5 | -109.8 | 0 | 0 | 0 | 115.8 | T49 N72 W73 W78 L234 V235 M240 F247 | T49-Y232 HydrophobicContact CG2-CE2 3.94Å; N72-Y232 WeakPolarHBondContact ND2-CE2 3.3Å; N72-Y232 PolarHBondContact ND2-OH 2.6Å; W73-Y232 HydrophobicContact CE3-CD1 4.1Å; W73-Y232 AromaticContact CE3-CE1 3.79Å; W73-Y232 HydrophobicContact CE3-CE1 3.79Å; W73-Y232 AromaticContact CZ3-CD1 3.58Å; W73-Y232 HydrophobicContact CZ3-CD1 3.58Å; W73-Y232 AromaticContact CZ3-CE1 3.77Å; W73-Y232 HydrophobicContact CZ3-CE1 3.77Å; W73-Y232 AromaticContact CZ3-CG 3.99Å; W73-Y232 HydrophobicContact CZ3-CG 3.99Å; W78-Y232 WeakPolarHBondContact CH2-OH 3.42Å; Y232-L234 PolarHBondContact O-N 2.98Å; Y232-V235 HydrophobicContact CD1-CG2 3.88Å; Y232-V235 WeakPolarHBondContact O-CB 3.31Å; Y232-V235 PolarHBondContact O-N 2.97Å; Y232-V235 VanDerWaalsContact O-N 3.12Å; Y232-M240 HydrophobicContact CD1-CE 4.08Å; Y232-M240 HydrophobicContact CD1-SD 3.99Å; Y232-M240 HydrophobicContact CG-CE 4.22Å; Y232-F247 HydrophobicContact CD1-CD2 4.44Å; Y232-F247 HydrophobicContact CD1-CE2 4.39Å; Y232-F247 HydrophobicContact CD2-CB 4.41Å; Y232-F247 AromaticContact CD2-CD1 3.34Å; Y232-F247 HydrophobicContact CD2-CD1 3.34Å; Y232-F247 HydrophobicContact CD2-CD2 4.21Å; Y232-F247 AromaticContact CD2-CE1 3.47Å; Y232-F247 HydrophobicContact CD2-CE1 3.47Å; Y232-F247 VanDerWaalsContact CD2-CE1 3.47Å; Y232-F247 HydrophobicContact CD2-CE2 4.26Å; Y232-F247 AromaticContact CD2-CG 3.73Å; Y232-F247 HydrophobicContact CD2-CG 3.73Å; Y232-F247 AromaticContact CD2-CZ 3.91Å; Y232-F247 HydrophobicContact CD2-CZ 3.91Å; Y232-F247 HydrophobicContact CE1-CE2 4.23Å; Y232-F247 HydrophobicContact CE1-CZ 4.23Å; Y232-F247 AromaticContact CE2-CD1 3.65Å; Y232-F247 HydrophobicContact CE2-CD1 3.65Å; Y232-F247 AromaticContact CE2-CE1 3.2Å; Y232-F247 HydrophobicContact CE2-CE1 3.2Å; Y232-F247 HydrophobicContact CE2-CE2 4.1Å; Y232-F247 HydrophobicContact CE2-CG 4.27Å; Y232-F247 AromaticContact CE2-CZ 3.43Å; Y232-F247 HydrophobicContact CE2-CZ 3.43Å; Y232-F247 VanDerWaalsContact CE2-CZ 3.43Å; Y232-F247 HydrophobicContact CG-CB 4.39Å; Y232-F247 HydrophobicContact CG-CD1 4.05Å; Y232-F247 HydrophobicContact CG-CD2 4.17Å; Y232-F247 HydrophobicContact CG-CE1 4.34Å; Y232-F247 HydrophobicContact CG-CE2 4.4Å; Y232-F247 AromaticContact CG-CG 3.94Å; Y232-F247 HydrophobicContact CG-CG 3.94Å; Y232-F247 HydrophobicContact CG-CZ 4.48Å; Y232-F247 AromaticContact CZ-CE1 3.9Å; Y232-F247 AromaticContact CZ-CZ 3.59Å |
| 233 | S | 92.6 | Very high | 93.4 | Very high | 78 Ų | 78 | 57.7 Ų | 57.7 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -12.5 | 175.8 | 70 | 0 | 0 | 0 | 0 | 113.9 | N231 V235 | N231-S233 VanDerWaalsContact C-N 3.31Å; N231-S233 PolarHBondContact O-N 2.81Å; N231-S233 VanDerWaalsContact OD1-CB 3.26Å; N231-S233 WeakPolarHBondContact OD1-CB 3.45Å; N231-S233 PolarHBondContact OD1-N 2.68Å; N231-S233 PolarHBondContact OD1-OG 3.31Å; S233-V235 VanDerWaalsContact C-N 3.33Å |
| 234 | L | 94.7 | Very high | 93.2 | Very high | 86 Ų | 86 | 61.5 Ų | 61.5 | 45% | 0.45 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -12.2 | 173.9 | -59 | 175.8 | 0 | 0 | 0 | 112.9 | P71 W73 A228 M229 Y232 | P71-L234 HydrophobicContact CG-CD1 4.13Å; W73-L234 HydrophobicContact CH2-CB 4.1Å; W73-L234 HydrophobicContact CZ2-CB 4.28Å; A228-L234 HydrophobicContact CB-CD2 4.44Å; A228-L234 HydrophobicContact CB-CG 4.48Å; A228-L234 WeakPolarHBondContact O-CG 3.4Å; M229-L234 HydrophobicContact CE-CD1 3.77Å; M229-L234 HydrophobicContact SD-CD1 3.73Å; Y232-L234 PolarHBondContact O-N 2.98Å |
| 235 | V | 93.8 | Very high | 93 | Very high | 29 Ų | 29 | 61.8 Ų | 61.8 | 18% | 0.176 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -76.2 | 132.7 | 174.2 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | W73 Y232 S233 I239 M240 | W73-V235 HydrophobicContact CH2-CG2 3.7Å; W73-V235 HydrophobicContact CZ2-CG2 4.45Å; W73-V235 HydrophobicContact CZ3-CG2 3.92Å; Y232-V235 HydrophobicContact CD1-CG2 3.88Å; Y232-V235 WeakPolarHBondContact O-CB 3.31Å; Y232-V235 PolarHBondContact O-N 2.97Å; Y232-V235 VanDerWaalsContact O-N 3.12Å; S233-V235 VanDerWaalsContact C-N 3.33Å; V235-I239 HydrophobicContact CG1-CB 3.84Å; V235-I239 HydrophobicContact CG1-CG2 3.75Å; V235-M240 HydrophobicContact CB-CB 4.42Å; V235-M240 HydrophobicContact CB-SD 4.21Å; V235-M240 HydrophobicContact CG1-CB 3.94Å; V235-M240 HydrophobicContact CG1-CG 3.92Å; V235-M240 HydrophobicContact CG1-SD 3.9Å; V235-M240 HydrophobicContact CG2-SD 4.22Å |
| 236 | P | 95.4 | Very high | 92.9 | Very high | 66 Ų | 66 | 60.5 Ų | 60.5 | 43% | 0.429 | 34% | 0.336 | S | S | . | . | trans | -52 | 141.5 | 176.8 | -27.1 | 33.8 | 0 | 0 | 0 | 112.8 | E238 I239 M240 | P236-E238 VanDerWaalsContact CB-OE2 3.32Å; P236-E238 WeakPolarHBondContact CB-OE2 3.39Å; P236-E238 PolarHBondContact O-N 3.41Å; P236-I239 HydrophobicContact CB-CD1 4.3Å; P236-I239 HydrophobicContact CB-CG1 4.28Å; P236-I239 HydrophobicContact CG-CD1 4.07Å; P236-I239 WeakPolarHBondContact O-CB 3.39Å; P236-I239 PolarHBondContact O-N 3.2Å; P236-M240 PolarHBondContact O-N 3.22Å | ||
| 237 | Q | 92.4 | Very high | 92.7 | Very high | 107 Ų | 107 | 55.6 Ų | 55.6 | 50% | 0.5 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -27.1 | -176.8 | -171.8 | 174.7 | -3.6 | 0 | 0 | 112.2 | I239 M240 D241 | Q237-I239 PolarHBondContact O-N 3.47Å; Q237-M240 CarbonylContact O-C 3.52Å; Q237-M240 VanDerWaalsContact O-C 3.31Å; Q237-D241 PolarHBondContact NE2-OD1 2.86Å; Q237-D241 WeakPolarHBondContact O-CA 3.14Å; Q237-D241 PolarHBondContact O-N 2.97Å |
| 238 | E | 93.4 | Very high | 92.5 | Very high | 149 Ų | 149 | 55.7 Ų | 55.7 | 70% | 0.696 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -25.4 | 175.6 | -56.4 | 75.4 | -163.8 | 0 | 0 | 112.2 | S139 P236 | S139-E238 VanDerWaalsContact CB-O 3.25Å; S139-E238 WeakPolarHBondContact CB-O 3.25Å; S139-E238 PolarHBondContact OG-O 2.89Å; P236-E238 VanDerWaalsContact CB-OE2 3.32Å; P236-E238 WeakPolarHBondContact CB-OE2 3.39Å; P236-E238 PolarHBondContact O-N 3.41Å |
| 239 | I | 93.4 | Very high | 92.2 | Very high | 45 Ų | 45 | 56.3 Ų | 56.3 | 23% | 0.231 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -45.2 | 176.7 | -61.3 | -179.8 | 0 | 0 | 0 | 109.8 | A138 S139 F140 V235 P236 Q237 | A138-I239 WeakPolarHBondContact CA-O 3.49Å; S139-I239 PolarHBondContact N-O 3.39Å; S139-I239 WeakPolarHBondContact OG-CA 3.26Å; S139-I239 PolarHBondContact OG-O 3.41Å; F140-I239 HydrophobicContact CD1-CG2 3.69Å; F140-I239 HydrophobicContact CE1-CG2 3.71Å; V235-I239 HydrophobicContact CG1-CB 3.84Å; V235-I239 HydrophobicContact CG1-CG2 3.75Å; P236-I239 HydrophobicContact CB-CD1 4.3Å; P236-I239 HydrophobicContact CB-CG1 4.28Å; P236-I239 HydrophobicContact CG-CD1 4.07Å; P236-I239 WeakPolarHBondContact O-CB 3.39Å; P236-I239 PolarHBondContact O-N 3.2Å; Q237-I239 PolarHBondContact O-N 3.47Å |
| 240 | M | 94.5 | Very high | 91.8 | Very high | 15 Ų | 15 | 59 Ų | 59 | 7% | 0.074 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -132.7 | 99.1 | -179.2 | -77.1 | -178.5 | 61.9 | 0 | 0 | 111.6 | F134 M137 F140 Y232 V235 P236 Q237 S242 F247 | F134-M240 HydrophobicContact CE2-CE 4.1Å; M137-M240 HydrophobicContact CE-CB 3.99Å; M137-M240 HydrophobicContact CE-CE 3.69Å; M137-M240 HydrophobicContact CE-CG 4.5Å; M137-M240 HydrophobicContact SD-CE 4.41Å; F140-M240 HydrophobicContact CE1-CG 4.24Å; Y232-M240 HydrophobicContact CD1-CE 4.08Å; Y232-M240 HydrophobicContact CD1-SD 3.99Å; Y232-M240 HydrophobicContact CG-CE 4.22Å; V235-M240 HydrophobicContact CB-CB 4.42Å; V235-M240 HydrophobicContact CB-SD 4.21Å; V235-M240 HydrophobicContact CG1-CB 3.94Å; V235-M240 HydrophobicContact CG1-CG 3.92Å; V235-M240 HydrophobicContact CG1-SD 3.9Å; V235-M240 HydrophobicContact CG2-SD 4.22Å; P236-M240 PolarHBondContact O-N 3.22Å; Q237-M240 CarbonylContact O-C 3.52Å; Q237-M240 VanDerWaalsContact O-C 3.31Å; M240-S242 PolarHBondContact O-N 3Å; M240-F247 HydrophobicContact CE-CB 3.9Å; M240-F247 HydrophobicContact CE-CD2 3.36Å; M240-F247 HydrophobicContact CE-CE2 4.19Å; M240-F247 HydrophobicContact CE-CG 3.99Å |
| 241 | D | 93.4 | Very high | 91.5 | Very high | 32 Ų | 32 | 59.6 Ų | 59.6 | 17% | 0.171 | 32% | 0.321 | C | S | . | . | trans | -81.4 | 92.4 | -174.6 | -173.9 | 2.5 | 0 | 0 | 0 | 112 | M137 Q237 S243 K244 S245 | M137-D241 PolarHBondContact O-N 3.27Å; Q237-D241 PolarHBondContact NE2-OD1 2.86Å; Q237-D241 WeakPolarHBondContact O-CA 3.14Å; Q237-D241 PolarHBondContact O-N 2.97Å; D241-S243 VanDerWaalsContact CG-OG 3.25Å; D241-S243 PolarHBondContact O-N 2.96Å; D241-S243 VanDerWaalsContact O-N 3.09Å; D241-S243 VanDerWaalsContact OD1-CB 3.28Å; D241-S243 WeakPolarHBondContact OD1-CB 3.32Å; D241-S243 PolarHBondContact OD1-N 3.05Å; D241-S243 PolarHBondContact OD1-OG 3.12Å; D241-S243 PolarHBondContact OD2-OG 3.19Å; D241-K244 HydrophobicContact CB-CD 4.31Å; D241-K244 HydrophobicContact CB-CG 4.44Å; D241-K244 PolarHBondContact O-N 2.78Å; D241-K244 VanDerWaalsContact O-N 3.08Å; D241-K244 WeakPolarHBondContact OD2-CE 3.48Å; D241-K244 WeakPolarHBondContact OD2-CG 3.44Å; D241-S245 PolarHBondContact O-N 2.79Å | ||
| 242 | S | 89.4 | Confident | 91.5 | Very high | 73 Ų | 73 | 61.1 Ų | 61.1 | 51% | 0.51 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -16.8 | 178.9 | 66.8 | 0 | 0 | 0 | 0 | 114.5 | M240 K244 S245 | M240-S242 PolarHBondContact O-N 3Å; S242-K244 VanDerWaalsContact C-N 3.34Å; S242-S245 WeakPolarHBondContact CA-O 3.45Å; S242-S245 CarbonylContact O-C 3.58Å |
| 243 | S | 89.8 | Confident | 91.6 | Very high | 91 Ų | 91 | 61.8 Ų | 61.8 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -26.9 | 176.1 | 78.5 | 0 | 0 | 0 | 0 | 112.9 | D241 | D241-S243 VanDerWaalsContact CG-OG 3.25Å; D241-S243 PolarHBondContact O-N 2.96Å; D241-S243 VanDerWaalsContact O-N 3.09Å; D241-S243 VanDerWaalsContact OD1-CB 3.28Å; D241-S243 WeakPolarHBondContact OD1-CB 3.32Å; D241-S243 PolarHBondContact OD1-N 3.05Å; D241-S243 PolarHBondContact OD1-OG 3.12Å; D241-S243 PolarHBondContact OD2-OG 3.19Å |
| 244 | K | 88.6 | Confident | 91.8 | Very high | 137 Ų | 137 | 58.8 Ų | 58.8 | 60% | 0.596 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -42.1 | 175.9 | -66.3 | 179 | -175.1 | 174.6 | 0 | 112 | K136 M137 D241 S242 | K136-K244 WeakPolarHBondContact O-CD 3.48Å; M137-K244 HydrophobicContact CB-CB 4.43Å; D241-K244 HydrophobicContact CB-CD 4.31Å; D241-K244 HydrophobicContact CB-CG 4.44Å; D241-K244 PolarHBondContact O-N 2.78Å; D241-K244 VanDerWaalsContact O-N 3.08Å; D241-K244 WeakPolarHBondContact OD2-CE 3.48Å; D241-K244 WeakPolarHBondContact OD2-CG 3.44Å; S242-K244 VanDerWaalsContact C-N 3.34Å |
| 245 | S | 89.8 | Confident | 91.9 | Very high | 13 Ų | 13 | 54.9 Ų | 54.9 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | trans | -160.1 | 144.2 | 174.3 | -152.3 | 0 | 0 | 0 | 0 | 109.9 | M137 D241 S242 | M137-S245 WeakPolarHBondContact CE-O 3.46Å; D241-S245 PolarHBondContact O-N 2.79Å; S242-S245 WeakPolarHBondContact CA-O 3.45Å; S242-S245 CarbonylContact O-C 3.58Å | ||
| 246 | T | 89.1 | Confident | 92 | Very high | 60 Ų | 60 | 54.4 Ų | 54.4 | 37% | 0.368 | 30% | 0.299 | S | S | . | . | trans | -84.3 | 145.4 | 169.5 | 59.7 | 0 | 0 | 0 | 0 | 110.3 | L248 R249 | T246-L248 PolarHBondContact O-N 3.27Å; T246-L248 PolarHBondContact OG1-O 3.34Å; T246-L248 VanDerWaalsContact OG1-O 3.06Å; T246-R249 PolarHBondContact O-N 3.4Å | ||
| 247 | F | 88.8 | Confident | 92.1 | Very high | 39 Ų | 39 | 56.8 Ų | 56.8 | 17% | 0.171 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -59.8 | -50 | 179.1 | -174.7 | -91.5 | 0 | 0 | 0 | 111.7 | T49 F134 Y232 M240 R249 | T49-F247 HydrophobicContact CG2-CE1 4.23Å; T49-F247 VanDerWaalsContact OG1-CE1 3.32Å; T49-F247 WeakPolarHBondContact OG1-CE1 3.4Å; F134-F247 HydrophobicContact CD2-CD2 4.21Å; F134-F247 HydrophobicContact CD2-CE2 4.36Å; F134-F247 AromaticContact CE2-CD2 3.93Å; F134-F247 HydrophobicContact CE2-CD2 3.93Å; F134-F247 AromaticContact CE2-CE2 3.88Å; F134-F247 HydrophobicContact CE2-CE2 3.88Å; F134-F247 HydrophobicContact CZ-CE2 4.48Å; Y232-F247 HydrophobicContact CD1-CD2 4.44Å; Y232-F247 HydrophobicContact CD1-CE2 4.39Å; Y232-F247 HydrophobicContact CD2-CB 4.41Å; Y232-F247 AromaticContact CD2-CD1 3.34Å; Y232-F247 HydrophobicContact CD2-CD1 3.34Å; Y232-F247 HydrophobicContact CD2-CD2 4.21Å; Y232-F247 AromaticContact CD2-CE1 3.47Å; Y232-F247 HydrophobicContact CD2-CE1 3.47Å; Y232-F247 VanDerWaalsContact CD2-CE1 3.47Å; Y232-F247 HydrophobicContact CD2-CE2 4.26Å; Y232-F247 AromaticContact CD2-CG 3.73Å; Y232-F247 HydrophobicContact CD2-CG 3.73Å; Y232-F247 AromaticContact CD2-CZ 3.91Å; Y232-F247 HydrophobicContact CD2-CZ 3.91Å; Y232-F247 HydrophobicContact CE1-CE2 4.23Å; Y232-F247 HydrophobicContact CE1-CZ 4.23Å; Y232-F247 AromaticContact CE2-CD1 3.65Å; Y232-F247 HydrophobicContact CE2-CD1 3.65Å; Y232-F247 AromaticContact CE2-CE1 3.2Å; Y232-F247 HydrophobicContact CE2-CE1 3.2Å; Y232-F247 HydrophobicContact CE2-CE2 4.1Å; Y232-F247 HydrophobicContact CE2-CG 4.27Å; Y232-F247 AromaticContact CE2-CZ 3.43Å; Y232-F247 HydrophobicContact CE2-CZ 3.43Å; Y232-F247 VanDerWaalsContact CE2-CZ 3.43Å; Y232-F247 HydrophobicContact CG-CB 4.39Å; Y232-F247 HydrophobicContact CG-CD1 4.05Å; Y232-F247 HydrophobicContact CG-CD2 4.17Å; Y232-F247 HydrophobicContact CG-CE1 4.34Å; Y232-F247 HydrophobicContact CG-CE2 4.4Å; Y232-F247 AromaticContact CG-CG 3.94Å; Y232-F247 HydrophobicContact CG-CG 3.94Å; Y232-F247 HydrophobicContact CG-CZ 4.48Å; Y232-F247 AromaticContact CZ-CE1 3.9Å; Y232-F247 AromaticContact CZ-CZ 3.59Å; M240-F247 HydrophobicContact CE-CB 3.9Å; M240-F247 HydrophobicContact CE-CD2 3.36Å; M240-F247 HydrophobicContact CE-CE2 4.19Å; M240-F247 HydrophobicContact CE-CG 3.99Å; F247-R249 VanDerWaalsContact C-N 3.35Å; F247-R249 PolarHBondContact O-N 3.42Å; F247-R249 VanDerWaalsContact O-N 3.13Å |
| 248 | L | 89 | Confident | 92.4 | Very high | 24 Ų | 24 | 57.4 Ų | 57.4 | 13% | 0.126 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -82.9 | 82.1 | 166.7 | -63.3 | -177.7 | 0 | 0 | 0 | 109.1 | F221 M224 K225 N231 T246 | F221-L248 HydrophobicContact CE2-CB 3.78Å; F221-L248 HydrophobicContact CE2-CD2 4.38Å; F221-L248 HydrophobicContact CZ-CB 4.11Å; M224-L248 HydrophobicContact CB-CD1 4.12Å; K225-L248 HydrophobicContact CB-CD1 4.35Å; K225-L248 HydrophobicContact CG-CB 4.38Å; N231-L248 HydrophobicContact CB-CD1 3.91Å; T246-L248 PolarHBondContact O-N 3.27Å; T246-L248 PolarHBondContact OG1-O 3.34Å; T246-L248 VanDerWaalsContact OG1-O 3.06Å |
| 249 | R | 90.2 | Very high | 92.6 | Very high | 44 Ų | 44 | 53 Ų | 53 | 17% | 0.166 | 29% | 0.289 | C | S | . | . | trans | -72.7 | -73.1 | -171.7 | -169 | -177.1 | 62.1 | 86.9 | 3.9 | 113.5 | T246 F247 D255 | T246-R249 PolarHBondContact O-N 3.4Å; F247-R249 VanDerWaalsContact C-N 3.35Å; F247-R249 PolarHBondContact O-N 3.42Å; F247-R249 VanDerWaalsContact O-N 3.13Å; R249-D255 IonicContact CZ-OD2 2.72Å; R249-D255 IonicContact NH1-OD2 3.48Å; R249-D255 PolarHBondContact NH1-OD2 3.44Å; R249-D255 IonicContact NH2-OD2 2.75Å; R249-D255 PolarHBondContact NH2-OD2 2.87Å | ||
| 250 | K | 88.6 | Confident | 92.8 | Very high | 92 Ų | 92 | 51.9 Ų | 51.9 | 40% | 0.4 | 28% | 0.282 | S | S | . | . | trans | -122.2 | -33.6 | -177.5 | -72.3 | -166.9 | -175.7 | -179.7 | 0 | 114.8 | F221 V252 D255 | F221-K250 WeakPolarHBondContact CE1-O 3.42Å; K250-V252 VanDerWaalsContact C-N 3.32Å; K250-V252 HydrophobicContact CB-CG2 4.1Å; K250-V252 PolarHBondContact O-N 2.91Å; K250-D255 WeakPolarHBondContact CD-OD1 3.43Å; K250-D255 WeakPolarHBondContact CD-OD2 3.4Å; K250-D255 IonicContact NZ-OD1 2.68Å; K250-D255 PolarHBondContact NZ-OD1 3.44Å; K250-D255 IonicContact NZ-OD2 2.98Å; K250-D255 PolarHBondContact NZ-OD2 3Å | ||
| 251 | G | 88.2 | Confident | 92.9 | Very high | 14 Ų | 14 | 53 Ų | 53 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | trans | 67.7 | 26.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | Y185 I189 F221 | Y185-G251 VanDerWaalsContact OH-CA 3.3Å; Y185-G251 WeakPolarHBondContact OH-CA 3.31Å; Y185-G251 PolarHBondContact OH-O 2.85Å; I189-G251 WeakPolarHBondContact CD1-O 3.48Å; F221-G251 VanDerWaalsContact CD2-CA 3.42Å; F221-G251 VanDerWaalsContact CE2-CA 3.41Å | ||
| 252 | V | 93.4 | Very high | 93.1 | Very high | 62 Ų | 62 | 56.2 Ų | 56.2 | 38% | 0.376 | 31% | 0.314 | S | S | . | . | trans | -118.9 | 161.8 | -177.8 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | R122 K250 D255 | R122-V252 PolarHBondContact NH2-O 3.44Å; K250-V252 VanDerWaalsContact C-N 3.32Å; K250-V252 HydrophobicContact CB-CG2 4.1Å; K250-V252 PolarHBondContact O-N 2.91Å; V252-D255 HydrophobicContact CG2-CB 4Å | ||
| 253 | A | 94.9 | Very high | 93.6 | Very high | 42 Ų | 42 | 59.2 Ų | 59.2 | 35% | 0.347 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -93.7 | 145.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110 | E186 | E186-A253 HydrophobicContact CG-CB 4.09Š|
| 254 | G | 96.1 | Very high | 94 | Very high | 15 Ų | 15 | 56.2 Ų | 56.2 | 16% | 0.155 | 30% | 0.296 | C | S | . | . | trans | 84.5 | 13.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | D126 W256 K257 | D126-G254 PolarHBondContact OD2-N 3.27Å; G254-W256 PolarHBondContact O-N 2.91Å; G254-K257 PolarHBondContact O-N 3.03Å | ||
| 255 | D | 97.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -65.2 | -25.3 | 177.8 | -167.9 | 48.5 | 0 | 0 | 0 | 111.4 | D126 R249 K250 V252 K257 N258 H259 | D126-D255 PolarHBondContact OD1-N 3.16Å; R249-D255 IonicContact CZ-OD2 2.72Å; R249-D255 IonicContact NH1-OD2 3.48Å; R249-D255 PolarHBondContact NH1-OD2 3.44Å; R249-D255 IonicContact NH2-OD2 2.75Å; R249-D255 PolarHBondContact NH2-OD2 2.87Å; K250-D255 WeakPolarHBondContact CD-OD1 3.43Å; K250-D255 WeakPolarHBondContact CD-OD2 3.4Å; K250-D255 IonicContact NZ-OD1 2.68Å; K250-D255 PolarHBondContact NZ-OD1 3.44Å; K250-D255 IonicContact NZ-OD2 2.98Å; K250-D255 PolarHBondContact NZ-OD2 3Å; V252-D255 HydrophobicContact CG2-CB 4Å; D255-K257 PolarHBondContact O-N 3.37Å; D255-K257 VanDerWaalsContact O-N 3.08Å; D255-N258 WeakPolarHBondContact O-CB 3.19Å; D255-N258 PolarHBondContact O-N 3.1Å; D255-N258 PolarHBondContact OD1-ND2 3.26Å; D255-H259 PolarHBondContact O-CD2 3.34Å; D255-H259 IonicContact OD1-NE2 3.98Å; D255-H259 IonicContact OD2-CD2 3.95Å; D255-H259 IonicContact OD2-NE2 3.72Å; D255-H259 PolarHBondContact OD2-NE2 3.37Å |
| 256 | W | 97.5 | Very high | 94.7 | Very high | 18 Ų | 18 | 58.8 Ų | 58.8 | 7% | 0.068 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -49.5 | -32.4 | 174.6 | 70.6 | -95.5 | 0 | 0 | 0 | 114.1 | K125 D126 V129 G254 N258 H259 F260 D265 | K125-W256 HydrophobicContact CB-CB 3.6Å; K125-W256 HydrophobicContact CB-CD2 3.86Å; K125-W256 HydrophobicContact CB-CE3 4.36Å; K125-W256 HydrophobicContact CB-CG 3.51Å; K125-W256 HydrophobicContact CD-CD2 3.66Å; K125-W256 HydrophobicContact CD-CE3 3.67Å; K125-W256 HydrophobicContact CD-CG 4.27Å; K125-W256 HydrophobicContact CD-CH2 4.04Å; K125-W256 HydrophobicContact CD-CZ2 4.03Å; K125-W256 HydrophobicContact CD-CZ3 3.87Å; K125-W256 HydrophobicContact CG-CD2 4.39Å; D126-W256 PolarHBondContact OD1-N 2.74Å; V129-W256 HydrophobicContact CG2-CB 4.16Å; G254-W256 PolarHBondContact O-N 2.91Å; W256-N258 PolarHBondContact O-N 3.38Å; W256-N258 VanDerWaalsContact O-N 3.12Å; W256-H259 PolarHBondContact O-N 3.45Å; W256-F260 HydrophobicContact CB-CD2 3.93Å; W256-F260 HydrophobicContact CB-CE2 4Å; W256-F260 HydrophobicContact CE3-CB 4.24Å; W256-F260 HydrophobicContact CE3-CD2 4.39Å; W256-F260 HydrophobicContact CE3-CG 4.25Å; W256-F260 WeakPolarHBondContact O-CD2 3.43Å; W256-F260 PolarHBondContact O-N 3.26Å; W256-D265 HydrophobicContact CZ3-CB 4.4Å; W256-D265 WeakPolarHBondContact CZ3-OD1 3.4Å |
| 257 | K | 97 | Very high | 95.1 | Very high | 117 Ų | 117 | 60 Ų | 60 | 51% | 0.509 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -61.4 | -20.6 | 177.4 | -61.8 | 177.7 | -176.2 | 170.5 | 0 | 112.9 | G254 D255 E288 | G254-K257 PolarHBondContact O-N 3.03Å; D255-K257 PolarHBondContact O-N 3.37Å; D255-K257 VanDerWaalsContact O-N 3.08Å; K257-E288 IonicContact NZ-OE2 3.2Å; K257-E288 PolarHBondContact NZ-OE2 2.68Å |
| 258 | N | 97.6 | Very high | 95.6 | Very high | 120 Ų | 120 | 58.1 Ų | 58.1 | 64% | 0.642 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -90.3 | -6 | 176.9 | -59.8 | -50.7 | 0 | 0 | 0 | 113.9 | D255 W256 | D255-N258 WeakPolarHBondContact O-CB 3.19Å; D255-N258 PolarHBondContact O-N 3.1Å; D255-N258 PolarHBondContact OD1-ND2 3.26Å; W256-N258 PolarHBondContact O-N 3.38Å; W256-N258 VanDerWaalsContact O-N 3.12Å |
| 259 | H | 97.4 | Very high | 95.9 | Very high | 57 Ų | 57 | 59.7 Ų | 59.7 | 26% | 0.264 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -35.9 | -174.9 | -59.7 | -97.9 | 0 | 0 | 0 | 113.2 | V129 H133 F147 D255 W256 | V129-H259 WeakPolarHBondContact CG1-NE2 3.35Å; V129-H259 HydrophobicContact CG2-CB 4.03Å; H133-H259 AromaticContact NE2-CE1 3.34Å; H133-H259 PolarHBondContact NE2-CE1 3.23Å; H133-H259 VanDerWaalsContact NE2-CE1 3.34Å; H133-H259 AromaticContact NE2-ND1 3.92Å; F147-H259 HydrophobicContact CE1-CB 4.41Å; F147-H259 HydrophobicContact CE2-CB 3.93Å; F147-H259 HydrophobicContact CZ-CB 3.72Å; D255-H259 PolarHBondContact O-CD2 3.34Å; D255-H259 IonicContact OD1-NE2 3.98Å; D255-H259 IonicContact OD2-CD2 3.95Å; D255-H259 IonicContact OD2-NE2 3.72Å; D255-H259 PolarHBondContact OD2-NE2 3.37Å; W256-H259 PolarHBondContact O-N 3.45Å |
| 260 | F | 98.1 | Very high | 96.3 | Very high | 20 Ų | 20 | 59.9 Ų | 59.9 | 9% | 0.088 | 32% | 0.321 | C | S | . | . | trans | -76.2 | 133.4 | -178.3 | -80.1 | -116.1 | 0 | 0 | 0 | 110.8 | K125 M128 V129 F147 L151 W256 Q264 D265 F268 | K125-F260 HydrophobicContact CB-CE2 4.23Å; K125-F260 HydrophobicContact CB-CZ 4.08Å; K125-F260 HydrophobicContact CG-CE1 4.45Å; K125-F260 HydrophobicContact CG-CZ 4.34Å; M128-F260 HydrophobicContact CE-CZ 4.41Å; M128-F260 HydrophobicContact SD-CE2 4.24Å; M128-F260 HydrophobicContact SD-CZ 4.19Å; V129-F260 HydrophobicContact CG2-CD2 4.23Å; V129-F260 HydrophobicContact CG2-CE2 3.76Å; F147-F260 AromaticContact CE1-CD2 3.94Å; F147-F260 HydrophobicContact CE1-CD2 3.94Å; F147-F260 HydrophobicContact CE1-CE2 4.03Å; F147-F260 HydrophobicContact CE1-CG 4.3Å; F147-F260 HydrophobicContact CE1-CZ 4.46Å; F147-F260 AromaticContact CZ-CD2 3.72Å; F147-F260 HydrophobicContact CZ-CD2 3.72Å; F147-F260 AromaticContact CZ-CE2 3.6Å; F147-F260 HydrophobicContact CZ-CE2 3.6Å; F147-F260 HydrophobicContact CZ-CZ 4.3Å; L151-F260 HydrophobicContact CD1-CD1 4.33Å; L151-F260 HydrophobicContact CD1-CE1 3.81Å; L151-F260 HydrophobicContact CD1-CZ 4.38Å; W256-F260 HydrophobicContact CB-CD2 3.93Å; W256-F260 HydrophobicContact CB-CE2 4Å; W256-F260 HydrophobicContact CE3-CB 4.24Å; W256-F260 HydrophobicContact CE3-CD2 4.39Å; W256-F260 HydrophobicContact CE3-CG 4.25Å; W256-F260 WeakPolarHBondContact O-CD2 3.43Å; W256-F260 PolarHBondContact O-N 3.26Å; F260-Q264 HydrophobicContact CD1-CB 4.04Å; F260-D265 HydrophobicContact CB-CB 4.39Å; F260-D265 HydrophobicContact CD1-CB 4.38Å; F260-F268 HydrophobicContact CE1-CB 3.97Å; F260-F268 AromaticContact CE1-CD2 3.88Å; F260-F268 HydrophobicContact CE1-CD2 3.88Å; F260-F268 HydrophobicContact CE1-CE2 4.48Å; F260-F268 AromaticContact CE1-CG 3.9Å; F260-F268 HydrophobicContact CE1-CG 3.9Å; F260-F268 HydrophobicContact CZ-CD2 4.17Å; F260-F268 HydrophobicContact CZ-CE2 4.33Å; F260-F268 HydrophobicContact CZ-CG 4.45Å | ||
| 261 | S | 98 | Very high | 96.7 | Very high | 38 Ų | 38 | 57.2 Ų | 57.2 | 27% | 0.266 | 31% | 0.313 | S | S | . | . | trans | -72.5 | 159.8 | 159.8 | 90 | 0 | 0 | 0 | 0 | 110.4 | E263 Q264 D265 | S261-E263 VanDerWaalsContact CB-OE2 3.3Å; S261-E263 WeakPolarHBondContact CB-OE2 3.04Å; S261-E263 PolarHBondContact O-N 3.21Å; S261-E263 PolarHBondContact OG-N 3.38Å; S261-E263 PolarHBondContact OG-OE2 3.41Å; S261-Q264 VanDerWaalsContact N-OE1 3.11Å; S261-Q264 PolarHBondContact O-N 3.06Å; S261-Q264 PolarHBondContact OG-N 3.48Å; S261-D265 WeakPolarHBondContact O-CB 3.18Å; S261-D265 PolarHBondContact O-N 3.11Å | ||
| 262 | P | 97.6 | Very high | 97.1 | Very high | 100 Ų | 100 | 57.7 Ų | 57.7 | 65% | 0.649 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -55 | -37.2 | 174.4 | -26.6 | 36 | 0 | 0 | 0 | 113.5 | D265 F266 | P262-D265 PolarHBondContact O-N 3.36Å; P262-F266 WeakPolarHBondContact O-CB 3.37Å; P262-F266 PolarHBondContact O-N 3.01Å |
| 263 | E | 97.9 | Very high | 97.1 | Very high | 136 Ų | 136 | 62.7 Ų | 62.7 | 64% | 0.636 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -69.1 | -41.7 | 179 | -56.7 | 76.2 | -165.3 | 0 | 0 | 111.8 | S261 F266 K267 | S261-E263 VanDerWaalsContact CB-OE2 3.3Å; S261-E263 WeakPolarHBondContact CB-OE2 3.04Å; S261-E263 PolarHBondContact O-N 3.21Å; S261-E263 PolarHBondContact OG-N 3.38Å; S261-E263 PolarHBondContact OG-OE2 3.41Å; E263-F266 PolarHBondContact O-N 3.13Å; E263-K267 WeakPolarHBondContact O-CB 3.31Å; E263-K267 PolarHBondContact O-N 3.25Å |
| 264 | Q | 98.3 | Very high | 97.2 | Very high | 29 Ų | 29 | 67.9 Ų | 67.9 | 14% | 0.136 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 176.1 | -72.4 | 175.5 | -27.2 | 0 | 0 | 111.1 | D148 L151 F260 S261 K267 F268 | D148-Q264 PolarHBondContact OD1-NE2 2.94Å; L151-Q264 HydrophobicContact CD1-CB 3.79Å; L151-Q264 HydrophobicContact CD1-CG 4.07Å; F260-Q264 HydrophobicContact CD1-CB 4.04Å; S261-Q264 VanDerWaalsContact N-OE1 3.11Å; S261-Q264 PolarHBondContact O-N 3.06Å; S261-Q264 PolarHBondContact OG-N 3.48Å; Q264-K267 PolarHBondContact O-N 2.72Å; Q264-F268 VanDerWaalsContact O-CB 3.23Å; Q264-F268 WeakPolarHBondContact O-CB 3.36Å; Q264-F268 PolarHBondContact O-N 3.02Å |
| 265 | D | 97.7 | Very high | 97.2 | Very high | 44 Ų | 44 | 69.2 Ų | 69.2 | 24% | 0.235 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 176.8 | -177.1 | 38.7 | 0 | 0 | 0 | 111.9 | K125 W256 F260 S261 P262 K267 F268 T269 | K125-D265 WeakPolarHBondContact CE-OD1 3.26Å; K125-D265 IonicContact NZ-OD1 2.81Å; K125-D265 PolarHBondContact NZ-OD1 3.23Å; W256-D265 HydrophobicContact CZ3-CB 4.4Å; W256-D265 WeakPolarHBondContact CZ3-OD1 3.4Å; F260-D265 HydrophobicContact CB-CB 4.39Å; F260-D265 HydrophobicContact CD1-CB 4.38Å; S261-D265 WeakPolarHBondContact O-CB 3.18Å; S261-D265 PolarHBondContact O-N 3.11Å; P262-D265 PolarHBondContact O-N 3.36Å; D265-K267 PolarHBondContact O-N 2.75Å; D265-F268 PolarHBondContact O-N 3.41Å; D265-T269 VanDerWaalsContact O-CB 3.25Å; D265-T269 WeakPolarHBondContact O-CB 3.49Å; D265-T269 PolarHBondContact O-N 3.24Å; D265-T269 PolarHBondContact O-OG1 3.19Å; D265-T269 PolarHBondContact OD1-OG1 3.24Å |
| 266 | F | 97 | Very high | 97.2 | Very high | 159 Ų | 159 | 70.3 Ų | 70.3 | 70% | 0.697 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -58 | -49.9 | 175.8 | 178.3 | -95.9 | 0 | 0 | 0 | 111.6 | P262 E263 T269 A270 | P262-F266 WeakPolarHBondContact O-CB 3.37Å; P262-F266 PolarHBondContact O-N 3.01Å; E263-F266 PolarHBondContact O-N 3.13Å; F266-T269 PolarHBondContact O-N 3.02Å; F266-A270 WeakPolarHBondContact O-CB 3.35Å; F266-A270 PolarHBondContact O-N 3.19Å |
| 267 | K | 97.8 | Very high | 97 | Very high | 85 Ų | 85 | 76 Ų | 76 | 37% | 0.37 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.7 | -50.3 | 178.1 | 178.6 | -177.1 | -176.7 | 178 | 0 | 111.8 | L151 N152 E263 Q264 D265 T269 A270 V271 | L151-K267 HydrophobicContact CD2-CD 4.24Å; N152-K267 WeakPolarHBondContact OD1-CE 3.5Å; N152-K267 PolarHBondContact OD1-NZ 2.8Å; E263-K267 WeakPolarHBondContact O-CB 3.31Å; E263-K267 PolarHBondContact O-N 3.25Å; Q264-K267 PolarHBondContact O-N 2.72Å; D265-K267 PolarHBondContact O-N 2.75Å; K267-T269 VanDerWaalsContact C-N 3.35Å; K267-T269 PolarHBondContact O-N 3.48Å; K267-A270 PolarHBondContact O-N 2.98Å; K267-V271 WeakPolarHBondContact O-CG2 3.48Å; K267-V271 PolarHBondContact O-N 3.49Å; K267-V271 VanDerWaalsContact O-N 3.09Å |
| 268 | F | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.6 | -44.3 | -177.1 | -164.9 | -83.9 | 0 | 0 | 0 | 111.2 | P124 K125 M128 L151 F154 L155 F260 Q264 D265 V271 L272 | P124-F268 HydrophobicContact CB-CE1 4.04Å; P124-F268 HydrophobicContact CB-CZ 4.24Å; P124-F268 HydrophobicContact CG-CE1 4.26Å; K125-F268 HydrophobicContact CB-CE1 4.37Å; K125-F268 HydrophobicContact CD-CD1 4.46Å; K125-F268 HydrophobicContact CG-CD1 3.61Å; K125-F268 HydrophobicContact CG-CE1 3.55Å; K125-F268 HydrophobicContact CG-CG 4.49Å; K125-F268 HydrophobicContact CG-CZ 4.44Å; M128-F268 HydrophobicContact CB-CE2 4.25Å; M128-F268 HydrophobicContact CB-CZ 4.29Å; M128-F268 HydrophobicContact CG-CE2 4.25Å; L151-F268 HydrophobicContact CD1-CD2 4.26Å; L151-F268 HydrophobicContact CD2-CD2 4.38Å; L151-F268 HydrophobicContact CG-CD2 4.01Å; F154-F268 AromaticContact CD1-CE2 3.75Å; F154-F268 HydrophobicContact CD1-CE2 3.75Å; F154-F268 AromaticContact CD1-CZ 3.84Å; F154-F268 HydrophobicContact CD1-CZ 3.84Å; F154-F268 HydrophobicContact CE1-CE2 4.13Å; F154-F268 AromaticContact CE1-CZ 3.72Å; F154-F268 HydrophobicContact CE1-CZ 3.72Å; L155-F268 HydrophobicContact CD1-CD2 4.06Å; L155-F268 HydrophobicContact CD2-CD2 3.59Å; L155-F268 HydrophobicContact CD2-CE2 3.68Å; L155-F268 HydrophobicContact CD2-CG 4.04Å; L155-F268 HydrophobicContact CD2-CZ 4.22Å; L155-F268 HydrophobicContact CG-CD2 3.88Å; L155-F268 HydrophobicContact CG-CE2 4.09Å; F260-F268 HydrophobicContact CE1-CB 3.97Å; F260-F268 AromaticContact CE1-CD2 3.88Å; F260-F268 HydrophobicContact CE1-CD2 3.88Å; F260-F268 HydrophobicContact CE1-CE2 4.48Å; F260-F268 AromaticContact CE1-CG 3.9Å; F260-F268 HydrophobicContact CE1-CG 3.9Å; F260-F268 HydrophobicContact CZ-CD2 4.17Å; F260-F268 HydrophobicContact CZ-CE2 4.33Å; F260-F268 HydrophobicContact CZ-CG 4.45Å; Q264-F268 VanDerWaalsContact O-CB 3.23Å; Q264-F268 WeakPolarHBondContact O-CB 3.36Å; Q264-F268 PolarHBondContact O-N 3.02Å; D265-F268 PolarHBondContact O-N 3.41Å; F268-V271 PolarHBondContact O-N 3.35Å; F268-L272 HydrophobicContact CD1-CD1 3.61Å; F268-L272 HydrophobicContact CD1-CG 4.13Å; F268-L272 HydrophobicContact CE1-CD1 3.37Å; F268-L272 HydrophobicContact CE1-CG 4.06Å; F268-L272 HydrophobicContact CZ-CD1 4.44Å; F268-L272 WeakPolarHBondContact O-CG 3.49Å; F268-L272 PolarHBondContact O-N 3.26Å |
| 269 | T | 96.6 | Very high | 96.5 | Very high | 58 Ų | 58 | 70.3 Ų | 70.3 | 36% | 0.356 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 177.5 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | K125 D265 F266 K267 L272 K273 | K125-T269 VanDerWaalsContact CE-OG1 3.31Å; K125-T269 WeakPolarHBondContact CE-OG1 3.3Å; K125-T269 PolarHBondContact NZ-OG1 3.04Å; D265-T269 VanDerWaalsContact O-CB 3.25Å; D265-T269 WeakPolarHBondContact O-CB 3.49Å; D265-T269 PolarHBondContact O-N 3.24Å; D265-T269 PolarHBondContact O-OG1 3.19Å; D265-T269 PolarHBondContact OD1-OG1 3.24Å; F266-T269 PolarHBondContact O-N 3.02Å; K267-T269 VanDerWaalsContact C-N 3.35Å; K267-T269 PolarHBondContact O-N 3.48Å; T269-L272 PolarHBondContact O-N 2.93Å; T269-K273 WeakPolarHBondContact O-CB 3.36Å; T269-K273 PolarHBondContact O-N 3.5Å |
| 270 | A | 96.9 | Very high | 96.2 | Very high | 47 Ų | 47 | 75.4 Ų | 75.4 | 39% | 0.388 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F266 K267 K273 E274 | F266-A270 WeakPolarHBondContact O-CB 3.35Å; F266-A270 PolarHBondContact O-N 3.19Å; K267-A270 PolarHBondContact O-N 2.98Å; A270-K273 PolarHBondContact O-N 2.98Å; A270-E274 PolarHBondContact O-N 3.12Å |
| 271 | V | 97.8 | Very high | 95.9 | Very high | 37 Ų | 37 | 75.9 Ų | 75.9 | 22% | 0.224 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 178.2 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | L155 K267 F268 K273 E274 E275 | L155-V271 HydrophobicContact CB-CG1 4.41Å; L155-V271 HydrophobicContact CD1-CB 4.31Å; L155-V271 HydrophobicContact CD1-CG2 4.17Å; L155-V271 HydrophobicContact CD2-CB 4.14Å; L155-V271 HydrophobicContact CD2-CG1 3.94Å; K267-V271 WeakPolarHBondContact O-CG2 3.48Å; K267-V271 PolarHBondContact O-N 3.49Å; K267-V271 VanDerWaalsContact O-N 3.09Å; F268-V271 PolarHBondContact O-N 3.35Å; V271-K273 VanDerWaalsContact C-N 3.33Å; V271-K273 PolarHBondContact O-N 2.98Å; V271-E274 PolarHBondContact O-N 3.08Å; V271-E275 HydrophobicContact CG1-CG 4.26Å; V271-E275 WeakPolarHBondContact O-CG 3.42Å; V271-E275 PolarHBondContact O-N 3.4Å |
| 272 | L | 95.8 | Very high | 95.6 | Very high | 24 Ų | 24 | 82.6 Ų | 82.6 | 13% | 0.126 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 177.9 | -75.9 | -178.4 | 0 | 0 | 0 | 112.6 | P124 W164 T165 F268 T269 E274 E275 M276 | P124-L272 HydrophobicContact CB-CD1 4Å; P124-L272 HydrophobicContact CG-CD1 3.3Å; P124-L272 HydrophobicContact CG-CD2 4.44Å; W164-L272 HydrophobicContact CE3-CD2 4.13Å; W164-L272 HydrophobicContact CZ3-CD2 4.38Å; T165-L272 HydrophobicContact CG2-CD2 3.39Å; F268-L272 HydrophobicContact CD1-CD1 3.61Å; F268-L272 HydrophobicContact CD1-CG 4.13Å; F268-L272 HydrophobicContact CE1-CD1 3.37Å; F268-L272 HydrophobicContact CE1-CG 4.06Å; F268-L272 HydrophobicContact CZ-CD1 4.44Å; F268-L272 WeakPolarHBondContact O-CG 3.49Å; F268-L272 PolarHBondContact O-N 3.26Å; T269-L272 PolarHBondContact O-N 2.93Å; L272-E274 VanDerWaalsContact C-N 3.3Å; L272-E274 PolarHBondContact O-N 3.28Å; L272-E275 PolarHBondContact O-N 3.23Å; L272-M276 VanDerWaalsContact O-CB 3.23Å; L272-M276 WeakPolarHBondContact O-CB 3.47Å; L272-M276 WeakPolarHBondContact O-CG 3.49Å; L272-M276 PolarHBondContact O-N 3.31Å |
| 273 | K | 94.8 | Very high | 95.4 | Very high | 166 Ų | 166 | 78.6 Ų | 78.6 | 72% | 0.722 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.7 | -39.6 | 177.9 | -175.6 | 175.7 | -180 | 177.1 | 0 | 111.6 | T269 A270 V271 N277 | T269-K273 WeakPolarHBondContact O-CB 3.36Å; T269-K273 PolarHBondContact O-N 3.5Å; A270-K273 PolarHBondContact O-N 2.98Å; V271-K273 VanDerWaalsContact C-N 3.33Å; V271-K273 PolarHBondContact O-N 2.98Å; K273-N277 PolarHBondContact O-N 3.25Å; K273-N277 VanDerWaalsContact O-N 3.15Å |
| 274 | E | 96.8 | Very high | 95 | Very high | 152 Ų | 152 | 75.3 Ų | 75.3 | 71% | 0.71 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -65.5 | -48.6 | 175 | -176.1 | 177 | -175.8 | 0 | 0 | 111.6 | A270 V271 L272 M276 N277 | A270-E274 PolarHBondContact O-N 3.12Å; V271-E274 PolarHBondContact O-N 3.08Å; L272-E274 VanDerWaalsContact C-N 3.3Å; L272-E274 PolarHBondContact O-N 3.28Å; E274-M276 VanDerWaalsContact C-N 3.32Å; E274-M276 PolarHBondContact O-N 3.26Å; E274-N277 WeakPolarHBondContact O-CB 3.37Å; E274-N277 PolarHBondContact O-N 2.91Å |
| 275 | E | 96.7 | Very high | 94.5 | Very high | 42 Ų | 42 | 74.7 Ų | 74.7 | 20% | 0.196 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -70.6 | -25.7 | -176.9 | -71.7 | -170.3 | 159.2 | 0 | 0 | 114.5 | K163 T165 K169 V271 L272 | K163-E275 IonicContact NZ-OE1 2.65Å; K163-E275 PolarHBondContact NZ-OE1 3.04Å; T165-E275 WeakPolarHBondContact CB-OE2 3.33Å; T165-E275 HydrophobicContact CG2-CB 3.88Å; T165-E275 WeakPolarHBondContact CG2-OE2 3.04Å; T165-E275 PolarHBondContact OG1-OE2 3.34Å; K169-E275 PolarHBondContact NZ-O 3.28Å; V271-E275 HydrophobicContact CG1-CG 4.26Å; V271-E275 WeakPolarHBondContact O-CG 3.42Å; V271-E275 PolarHBondContact O-N 3.4Å; L272-E275 PolarHBondContact O-N 3.23Å |
| 276 | M | 95.3 | Very high | 93.9 | Very high | 27 Ų | 27 | 77.1 Ų | 77.1 | 13% | 0.133 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -0 | 176.3 | -62.5 | -62.9 | -66.6 | 0 | 0 | 112.6 | W164 T165 V168 K169 L272 E274 G278 T279 I281 F283 | W164-M276 HydrophobicContact CZ3-SD 4.37Å; T165-M276 HydrophobicContact CG2-CG 3.88Å; T165-M276 HydrophobicContact CG2-SD 3.73Å; V168-M276 HydrophobicContact CG1-CE 4.19Å; K169-M276 HydrophobicContact CD-SD 4.34Å; K169-M276 HydrophobicContact CG-CE 4.48Å; K169-M276 HydrophobicContact CG-SD 4.17Å; L272-M276 VanDerWaalsContact O-CB 3.23Å; L272-M276 WeakPolarHBondContact O-CB 3.47Å; L272-M276 WeakPolarHBondContact O-CG 3.49Å; L272-M276 PolarHBondContact O-N 3.31Å; E274-M276 VanDerWaalsContact C-N 3.32Å; E274-M276 PolarHBondContact O-N 3.26Å; M276-G278 PolarHBondContact O-N 2.61Å; M276-T279 WeakPolarHBondContact O-CB 3.28Å; M276-T279 WeakPolarHBondContact O-CG2 3.47Å; M276-T279 PolarHBondContact O-N 3.46Å; M276-T279 VanDerWaalsContact O-N 3.13Å; M276-T279 PolarHBondContact O-OG1 3.24Å; M276-I281 HydrophobicContact CE-CB 4.09Å; M276-I281 HydrophobicContact CE-CD1 3.7Å; M276-I281 HydrophobicContact CE-CG1 4.48Å; M276-I281 HydrophobicContact CE-CG2 4.38Å; M276-F283 HydrophobicContact CE-CE2 4.23Å |
| 277 | N | 94.1 | Very high | 92.5 | Very high | 138 Ų | 138 | 78.5 Ų | 78.5 | 74% | 0.738 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 138.6 | 178 | -172.8 | 27.8 | 0 | 0 | 0 | 110.9 | K273 E274 T279 | K273-N277 PolarHBondContact O-N 3.25Å; K273-N277 VanDerWaalsContact O-N 3.15Å; E274-N277 WeakPolarHBondContact O-CB 3.37Å; E274-N277 PolarHBondContact O-N 2.91Å; N277-T279 PolarHBondContact O-N 3.06Å |
| 278 | G | 92.1 | Very high | 90.7 | Very high | 74 Ų | 74 | 81.5 Ų | 81.5 | 76% | 0.763 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | -2.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | M276 | M276-G278 PolarHBondContact O-N 2.61Š|
| 279 | T | 92.8 | Very high | 90.3 | Very high | 44 Ų | 44 | 85.6 Ų | 85.6 | 27% | 0.27 | 45% | 0.454 | S | S | . | . | trans | -87.2 | 149 | 170.8 | 77 | 0 | 0 | 0 | 0 | 110.9 | K169 M276 N277 I281 | K169-T279 HydrophobicContact CD-CG2 3.95Å; K169-T279 HydrophobicContact CG-CG2 4.02Å; M276-T279 WeakPolarHBondContact O-CB 3.28Å; M276-T279 WeakPolarHBondContact O-CG2 3.47Å; M276-T279 PolarHBondContact O-N 3.46Å; M276-T279 VanDerWaalsContact O-N 3.13Å; M276-T279 PolarHBondContact O-OG1 3.24Å; N277-T279 PolarHBondContact O-N 3.06Å; T279-I281 VanDerWaalsContact C-N 3.28Å; T279-I281 HydrophobicContact CG2-CD1 4.29Å | ||
| 280 | N | 90.4 | Very high | 90 | Very high | 164 Ų | 164 | 87.1 Ų | 87.1 | 88% | 0.877 | 46% | 0.459 | S | S | * | . | trans | -94.4 | 18.2 | 172.3 | -68.9 | -30.9 | 0 | 0 | 0 | 112.3 | K282 | N280-K282 PolarHBondContact O-N 3.08Š| ||
| 281 | I | 92 | Very high | 89.6 | Confident | 29 Ų | 29 | 89.3 Ų | 89.3 | 15% | 0.149 | 46% | 0.463 | C | S | . | . | trans | -80.2 | 124.2 | -176.2 | -55.6 | 164.8 | 0 | 0 | 0 | 107.6 | V168 K169 R172 M276 T279 F283 | V168-I281 HydrophobicContact CG1-CD1 4.21Å; K169-I281 HydrophobicContact CG-CD1 4.25Å; R172-I281 HydrophobicContact CB-CD1 4.08Å; R172-I281 HydrophobicContact CB-CG1 4.33Å; R172-I281 HydrophobicContact CG-CD1 3.62Å; R172-I281 HydrophobicContact CG-CG1 3.81Å; M276-I281 HydrophobicContact CE-CB 4.09Å; M276-I281 HydrophobicContact CE-CD1 3.7Å; M276-I281 HydrophobicContact CE-CG1 4.48Å; M276-I281 HydrophobicContact CE-CG2 4.38Å; T279-I281 VanDerWaalsContact C-N 3.28Å; T279-I281 HydrophobicContact CG2-CD1 4.29Å; I281-F283 HydrophobicContact CB-CE2 4.49Å; I281-F283 HydrophobicContact CG2-CD2 4.26Å; I281-F283 HydrophobicContact CG2-CE1 3.96Å; I281-F283 HydrophobicContact CG2-CE2 3.47Å; I281-F283 VanDerWaalsContact CG2-CE2 3.47Å; I281-F283 HydrophobicContact CG2-CZ 3.29Å | ||
| 282 | K | 90.7 | Very high | 89.1 | Confident | 180 Ų | 180 | 92.4 Ų | 92.4 | 78% | 0.783 | 48% | 0.477 | S | S | * | . | trans | -118.3 | 141.5 | 175.9 | -62.9 | -173.8 | 178.1 | -173.6 | 0 | 110 | N280 | N280-K282 PolarHBondContact O-N 3.08Š| ||
| 283 | F | 93.2 | Very high | 88.7 | Confident | 15 Ų | 15 | 96.6 Ų | 96.6 | 7% | 0.066 | 50% | 0.499 | C | S | . | . | trans | -122.5 | 153.5 | 177.8 | -62.7 | -70.5 | 0 | 0 | 0 | 112.1 | T121 W164 V168 M276 I281 W285 D286 | T121-F283 HydrophobicContact CG2-CE1 4.08Å; W164-F283 HydrophobicContact CH2-CD2 4.39Å; W164-F283 AromaticContact CH2-CE2 3.68Å; W164-F283 HydrophobicContact CH2-CE2 3.68Å; W164-F283 AromaticContact CH2-CZ 3.88Å; W164-F283 HydrophobicContact CH2-CZ 3.88Å; W164-F283 HydrophobicContact CZ2-CE2 4.5Å; W164-F283 HydrophobicContact CZ2-CZ 4.34Å; V168-F283 HydrophobicContact CG1-CE2 4.38Å; V168-F283 HydrophobicContact CG1-CZ 3.65Å; M276-F283 HydrophobicContact CE-CE2 4.23Å; I281-F283 HydrophobicContact CB-CE2 4.49Å; I281-F283 HydrophobicContact CG2-CD2 4.26Å; I281-F283 HydrophobicContact CG2-CE1 3.96Å; I281-F283 HydrophobicContact CG2-CE2 3.47Å; I281-F283 VanDerWaalsContact CG2-CE2 3.47Å; I281-F283 HydrophobicContact CG2-CZ 3.29Å; F283-W285 HydrophobicContact CB-CD2 3.62Å; F283-W285 HydrophobicContact CB-CE3 3.97Å; F283-W285 HydrophobicContact CB-CG 4.19Å; F283-W285 HydrophobicContact CB-CH2 3.84Å; F283-W285 HydrophobicContact CB-CZ2 3.46Å; F283-W285 VanDerWaalsContact CB-CZ2 3.46Å; F283-W285 HydrophobicContact CB-CZ3 4.04Å; F283-W285 AromaticContact CD1-CH2 3.26Å; F283-W285 HydrophobicContact CD1-CH2 3.26Å; F283-W285 AromaticContact CD1-CZ2 3.32Å; F283-W285 HydrophobicContact CD1-CZ2 3.32Å; F283-W285 HydrophobicContact CD1-CZ3 4.02Å; F283-W285 HydrophobicContact CD2-CH2 4.47Å; F283-W285 AromaticContact CD2-CZ2 3.69Å; F283-W285 HydrophobicContact CD2-CZ2 3.69Å; F283-W285 AromaticContact CE1-CH2 3.87Å; F283-W285 HydrophobicContact CE1-CH2 3.87Å; F283-W285 AromaticContact CE1-CZ2 3.91Å; F283-W285 HydrophobicContact CE1-CZ2 3.91Å; F283-W285 HydrophobicContact CE2-CZ2 4.22Å; F283-W285 HydrophobicContact CG-CD2 4.33Å; F283-W285 AromaticContact CG-CE2 3.56Å; F283-W285 AromaticContact CG-CH2 3.62Å; F283-W285 HydrophobicContact CG-CH2 3.62Å; F283-W285 AromaticContact CG-CZ2 3.18Å; F283-W285 HydrophobicContact CG-CZ2 3.18Å; F283-W285 HydrophobicContact CG-CZ3 4.3Å; F283-W285 AromaticContact CG-NE1 3.97Å; F283-W285 HydrophobicContact CZ-CZ2 4.31Å; F283-W285 PolarHBondContact O-N 3.34Å; F283-W285 VanDerWaalsContact O-N 3.14Å; F283-D286 PolarHBondContact N-OD2 3.18Å; F283-D286 WeakPolarHBondContact O-CB 3.45Å; F283-D286 PolarHBondContact O-N 3.09Å; F283-D286 VanDerWaalsContact O-N 3.13Å | ||
| 284 | P | 89.8 | Confident | 88.3 | Confident | 67 Ų | 67 | 92 Ų | 92 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.4 | 177 | -24.2 | 34.6 | 0 | 0 | 0 | 114.3 | T184 | T184-P284 HydrophobicContact CG2-CG 3.99Š|
| 285 | W | 89.1 | Confident | 87.7 | Confident | 17 Ų | 17 | 87.7 Ų | 87.7 | 6% | 0.064 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 1.6 | -179.4 | 60.4 | 74 | 0 | 0 | 0 | 113.8 | R122 N123 W164 T184 E186 F283 E287 E288 | R122-W285 VanDerWaalsContact C-CH2 3.41Å; N123-W285 HydrophobicContact CB-CB 4.43Å; N123-W285 HydrophobicContact CB-CD2 3.77Å; N123-W285 HydrophobicContact CB-CE3 4.1Å; N123-W285 HydrophobicContact CB-CG 3.92Å; N123-W285 WeakPolarHBondContact ND2-CB 3.33Å; W164-W285 HydrophobicContact CH2-CZ2 4.22Å; W164-W285 AromaticContact CZ2-CZ2 3.99Å; W164-W285 HydrophobicContact CZ2-CZ2 3.99Å; T184-W285 HydrophobicContact CG2-CZ3 4.07Å; E186-W285 VanDerWaalsContact CD-CZ3 3.49Å; E186-W285 HydrophobicContact CG-CE3 4.02Å; E186-W285 WeakPolarHBondContact OE2-CZ3 3.3Å; F283-W285 HydrophobicContact CB-CD2 3.62Å; F283-W285 HydrophobicContact CB-CE3 3.97Å; F283-W285 HydrophobicContact CB-CG 4.19Å; F283-W285 HydrophobicContact CB-CH2 3.84Å; F283-W285 HydrophobicContact CB-CZ2 3.46Å; F283-W285 VanDerWaalsContact CB-CZ2 3.46Å; F283-W285 HydrophobicContact CB-CZ3 4.04Å; F283-W285 AromaticContact CD1-CH2 3.26Å; F283-W285 HydrophobicContact CD1-CH2 3.26Å; F283-W285 AromaticContact CD1-CZ2 3.32Å; F283-W285 HydrophobicContact CD1-CZ2 3.32Å; F283-W285 HydrophobicContact CD1-CZ3 4.02Å; F283-W285 HydrophobicContact CD2-CH2 4.47Å; F283-W285 AromaticContact CD2-CZ2 3.69Å; F283-W285 HydrophobicContact CD2-CZ2 3.69Å; F283-W285 AromaticContact CE1-CH2 3.87Å; F283-W285 HydrophobicContact CE1-CH2 3.87Å; F283-W285 AromaticContact CE1-CZ2 3.91Å; F283-W285 HydrophobicContact CE1-CZ2 3.91Å; F283-W285 HydrophobicContact CE2-CZ2 4.22Å; F283-W285 HydrophobicContact CG-CD2 4.33Å; F283-W285 AromaticContact CG-CE2 3.56Å; F283-W285 AromaticContact CG-CH2 3.62Å; F283-W285 HydrophobicContact CG-CH2 3.62Å; F283-W285 AromaticContact CG-CZ2 3.18Å; F283-W285 HydrophobicContact CG-CZ2 3.18Å; F283-W285 HydrophobicContact CG-CZ3 4.3Å; F283-W285 AromaticContact CG-NE1 3.97Å; F283-W285 HydrophobicContact CZ-CZ2 4.31Å; F283-W285 PolarHBondContact O-N 3.34Å; F283-W285 VanDerWaalsContact O-N 3.14Å; W285-E287 PolarHBondContact O-N 2.68Å; W285-E288 PolarHBondContact O-N 2.95Å |
| 286 | D | 83.8 | Confident | 87 | Confident | 95 Ų | 95 | 91.2 Ų | 91.2 | 51% | 0.508 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -14.1 | 176.2 | -66.1 | -24.3 | 0 | 0 | 0 | 112 | F283 | F283-D286 PolarHBondContact N-OD2 3.18Å; F283-D286 WeakPolarHBondContact O-CB 3.45Å; F283-D286 PolarHBondContact O-N 3.09Å; F283-D286 VanDerWaalsContact O-N 3.13Å |
| 287 | E | 67.9 | Low | 86.3 | Confident | 188 Ų | 188 | 96.6 Ų | 96.6 | 88% | 0.879 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -2.6 | 177.5 | -60.3 | -176.3 | 179.4 | 0 | 0 | 113.3 | W285 | W285-E287 PolarHBondContact O-N 2.68Š|
| 288 | E | 59.8 | Low | 85.6 | Confident | 148 Ų | 148 | 92.8 Ų | 92.8 | 69% | 0.692 | 50% | 0.499 | S | S | * | . | trans | -95.3 | 0 | 178.4 | -68.1 | -168.9 | -155 | 0 | 0 | 113.4 | K257 W285 | K257-E288 IonicContact NZ-OE2 3.2Å; K257-E288 PolarHBondContact NZ-OE2 2.68Å; W285-E288 PolarHBondContact O-N 2.95Å |
Retrieved 288 of 288 residues in 1103.3 ms
(Link to these results)