| 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 | 27.4 | Very low | 58.8 | Low | 244 Ų | 244 | 106.1 Ų | 106.1 | 100% | 1.202 | 59% | 0.594 | S | S | * | * | 0 | 105.7 | 0 | -74.2 | -170.3 | -82.7 | 0 | 0 | 106.2 | A3 | M1-A3 PolarHBondContact O-N 3.31Å; M1-A3 VanDerWaalsContact O-N 3.14Å | |||
| 2 | A | 28.3 | Very low | 61.4 | Low | 106 Ų | 106 | 98.4 Ų | 98.4 | 88% | 0.876 | 55% | 0.55 | S | S | * | * | trans | -70.2 | 104.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 3 | A | 32.3 | Very low | 63.8 | Low | 75 Ų | 75 | 92 Ų | 92 | 62% | 0.62 | 51% | 0.513 | S | S | * | . | trans | -62.9 | 132 | 165.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | M1 L5 | M1-A3 PolarHBondContact O-N 3.31Å; M1-A3 VanDerWaalsContact O-N 3.14Å; A3-L5 VanDerWaalsContact C-N 3.34Å; A3-L5 PolarHBondContact O-N 2.67Å | ||
| 4 | D | 37.1 | Very low | 65.6 | Low | 166 Ų | 166 | 85.6 Ų | 85.6 | 89% | 0.888 | 48% | 0.477 | S | S | * | . | trans | -50.5 | 102.8 | 166.1 | -79 | -36.1 | 0 | 0 | 0 | 107.5 | M6 | D4-M6 PolarHBondContact O-N 3.04Š| ||
| 5 | L | 47.5 | Very low | 67.3 | Low | 142 Ų | 142 | 81.1 Ų | 81.1 | 74% | 0.743 | 45% | 0.45 | S | S | * | . | trans | -65.6 | 102.7 | 174.8 | -85.5 | 153.3 | 0 | 0 | 0 | 105.9 | A3 E7 | A3-L5 VanDerWaalsContact C-N 3.34Å; A3-L5 PolarHBondContact O-N 2.67Å; L5-E7 PolarHBondContact O-N 2.89Å; L5-E7 VanDerWaalsContact O-N 3.08Å | ||
| 6 | M | 58.4 | Low | 69.1 | Low | 109 Ų | 109 | 76 Ų | 76 | 54% | 0.537 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 116.8 | 173.3 | -161.5 | -177.5 | 100.6 | 0 | 0 | 108.1 | D4 I8 A29 | D4-M6 PolarHBondContact O-N 3.04Å; M6-I8 PolarHBondContact O-N 3.47Å; M6-A29 HydrophobicContact CE-CB 3.56Å; M6-A29 HydrophobicContact SD-CB 4.19Å |
| 7 | E | 76.2 | Confident | 70.5 | Confident | 184 Ų | 184 | 73.4 Ų | 73.4 | 86% | 0.86 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -68 | 123.6 | -176.5 | -164.5 | 173.7 | -172 | 0 | 0 | 109.4 | L5 D9 | L5-E7 PolarHBondContact O-N 2.89Å; L5-E7 VanDerWaalsContact O-N 3.08Å; E7-D9 PolarHBondContact O-N 3.44Å |
| 8 | I | 84 | Confident | 71.7 | Confident | 26 Ų | 26 | 70.8 Ų | 70.8 | 13% | 0.133 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 124.7 | 177.5 | -62 | 169.5 | 0 | 0 | 0 | 108.1 | M6 D10 Y13 M25 | M6-I8 PolarHBondContact O-N 3.47Å; I8-D10 VanDerWaalsContact C-N 3.34Å; I8-D10 PolarHBondContact O-N 3.19Å; I8-Y13 HydrophobicContact CG2-CD2 4.25Å; I8-M25 HydrophobicContact CD1-CB 3.6Å; I8-M25 HydrophobicContact CD1-CG 4.36Å; I8-M25 HydrophobicContact CG1-CB 4.39Å; I8-M25 HydrophobicContact CG2-CE 4.34Å |
| 9 | D | 86.9 | Confident | 72.8 | Confident | 28 Ų | 28 | 67.7 Ų | 67.7 | 15% | 0.15 | 37% | 0.371 | C | S | . | . | trans | -70 | 89.7 | 173.6 | -174.9 | -9.5 | 0 | 0 | 0 | 110.6 | E7 S11 L12 Y13 Y101 K472 | E7-D9 PolarHBondContact O-N 3.44Å; D9-S11 PolarHBondContact O-N 3.36Å; D9-S11 PolarHBondContact OD1-N 3.21Å; D9-S11 VanDerWaalsContact OD1-N 3.12Å; D9-S11 PolarHBondContact OD1-OG 3.25Å; D9-L12 HydrophobicContact CB-CB 4.34Å; D9-L12 PolarHBondContact O-N 3.25Å; D9-L12 VanDerWaalsContact O-N 3.08Å; D9-L12 PolarHBondContact OD1-N 3.08Å; D9-Y13 HydrophobicContact CB-CD2 4.35Å; D9-Y13 WeakPolarHBondContact O-CD2 3.35Å; D9-Y13 PolarHBondContact O-N 3.23Å; D9-Y101 HydrophobicContact CB-CE2 4.04Å; D9-Y101 PolarHBondContact OD2-OH 3Å; D9-K472 IonicContact OD1-NZ 3.85Å; D9-K472 PolarHBondContact OD1-NZ 2.95Å; D9-K472 WeakPolarHBondContact OD2-CE 3.19Å; D9-K472 IonicContact OD2-NZ 3.57Å; D9-K472 PolarHBondContact OD2-NZ 3.2Å | ||
| 10 | D | 82.9 | Confident | 73.9 | Confident | 52 Ų | 52 | 64.5 Ų | 64.5 | 28% | 0.278 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.2 | -31.5 | -179.6 | -83.8 | -12.9 | 0 | 0 | 0 | 113.7 | I8 L12 S14 R17 | I8-D10 VanDerWaalsContact C-N 3.34Å; I8-D10 PolarHBondContact O-N 3.19Å; D10-L12 VanDerWaalsContact C-N 3.27Å; D10-L12 PolarHBondContact O-N 3.45Å; D10-S14 WeakPolarHBondContact O-CA 3.5Å; D10-S14 WeakPolarHBondContact O-CB 3.45Å; D10-S14 PolarHBondContact O-N 2.9Å; D10-R17 WeakPolarHBondContact OD1-CD 3.33Å; D10-R17 IonicContact OD1-CZ 3.16Å; D10-R17 IonicContact OD1-NE 2.72Å; D10-R17 IonicContact OD1-NH1 3.55Å; D10-R17 PolarHBondContact OD1-NH1 2.64Å; D10-R17 IonicContact OD2-NH1 3.49Å; D10-R17 PolarHBondContact OD2-NH1 3.12Å |
| 11 | S | 85.3 | Confident | 74.7 | Confident | 35 Ų | 35 | 62.6 Ų | 62.6 | 25% | 0.245 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -72 | -23.3 | -179.2 | 70.2 | 0 | 0 | 0 | 0 | 112.7 | D9 K472 S473 | D9-S11 PolarHBondContact O-N 3.36Å; D9-S11 PolarHBondContact OD1-N 3.21Å; D9-S11 VanDerWaalsContact OD1-N 3.12Å; D9-S11 PolarHBondContact OD1-OG 3.25Å; S11-K472 CarbonylContact O-C 3.58Å; S11-K472 VanDerWaalsContact OG-CD 3.24Å; S11-K472 WeakPolarHBondContact OG-CD 3.41Å; S11-K472 WeakPolarHBondContact OG-CE 3.34Å; S11-K472 PolarHBondContact OG-NZ 3.29Å; S11-S473 WeakPolarHBondContact O-CA 3.43Å; S11-S473 PolarHBondContact O-N 3.16Å; S11-S473 VanDerWaalsContact O-N 3.11Å |
| 12 | L | 90.8 | Very high | 77.7 | Confident | 14 Ų | 14 | 53.9 Ų | 53.9 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -92.9 | -51.4 | 173.4 | 179.2 | 61.7 | 0 | 0 | 0 | 111.8 | D9 D10 Y101 L475 N476 | D9-L12 HydrophobicContact CB-CB 4.34Å; D9-L12 PolarHBondContact O-N 3.25Å; D9-L12 VanDerWaalsContact O-N 3.08Å; D9-L12 PolarHBondContact OD1-N 3.08Å; D10-L12 VanDerWaalsContact C-N 3.27Å; D10-L12 PolarHBondContact O-N 3.45Å; L12-Y101 HydrophobicContact CD2-CD2 3.78Å; L12-Y101 HydrophobicContact CD2-CE2 3.68Å; L12-L475 HydrophobicContact CD1-CB 3.79Å; L12-N476 HydrophobicContact CD1-CB 4.2Å; L12-N476 HydrophobicContact CG-CB 4.47Å; L12-N476 WeakPolarHBondContact O-CB 3.2Å |
| 13 | Y | 92.7 | Very high | 80.7 | Confident | 15 Ų | 15 | 52.6 Ų | 52.6 | 6% | 0.059 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -90.6 | 2.3 | -169.8 | -64.8 | -72.3 | 0 | 0 | 0 | 114.7 | I8 D9 R15 Q16 R17 M25 A52 G53 N99 Y101 | I8-Y13 HydrophobicContact CG2-CD2 4.25Å; D9-Y13 HydrophobicContact CB-CD2 4.35Å; D9-Y13 WeakPolarHBondContact O-CD2 3.35Å; D9-Y13 PolarHBondContact O-N 3.23Å; Y13-R15 VanDerWaalsContact C-N 3.33Å; Y13-R15 PolarHBondContact O-N 3.33Å; Y13-R15 VanDerWaalsContact O-N 3.07Å; Y13-Q16 PolarHBondContact O-N 2.64Å; Y13-R17 WeakPolarHBondContact O-CB 3.41Å; Y13-R17 PolarHBondContact O-N 2.66Å; Y13-M25 HydrophobicContact CD1-CE 3.66Å; Y13-M25 HydrophobicContact CD2-CE 4.17Å; Y13-M25 HydrophobicContact CE1-CE 4.2Å; Y13-M25 HydrophobicContact CG-CE 3.61Å; Y13-A52 WeakPolarHBondContact CE1-O 3.07Å; Y13-G53 WeakPolarHBondContact OH-CA 3.23Å; Y13-N99 PolarHBondContact OH-ND2 3.47Å; Y13-Y101 HydrophobicContact CE2-CD2 4.22Å |
| 14 | S | 88.3 | Confident | 83.6 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -33.8 | -58.6 | -178 | 179.7 | 0 | 0 | 0 | 0 | 114.3 | D10 Y18 | D10-S14 WeakPolarHBondContact O-CA 3.5Å; D10-S14 WeakPolarHBondContact O-CB 3.45Å; D10-S14 PolarHBondContact O-N 2.9Å; S14-Y18 WeakPolarHBondContact O-CD2 3.2Å; S14-Y18 WeakPolarHBondContact O-CE2 3.32Å |
| 15 | R | 92.1 | Very high | 86.4 | Confident | 18 Ų | 18 | 41.7 Ų | 41.7 | 7% | 0.068 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.6 | -34.4 | -173.1 | -54.3 | -52.9 | -169 | -117.2 | -0.2 | 113.2 | Y13 R477 D823 I861 A864 | Y13-R15 VanDerWaalsContact C-N 3.33Å; Y13-R15 PolarHBondContact O-N 3.33Å; Y13-R15 VanDerWaalsContact O-N 3.07Å; R15-R477 VanDerWaalsContact CG-NH1 3.3Å; R15-D823 IonicContact CZ-OD1 2.91Å; R15-D823 IonicContact CZ-OD2 3.41Å; R15-D823 IonicContact NH1-OD1 3.77Å; R15-D823 PolarHBondContact NH1-OD1 2.87Å; R15-D823 IonicContact NH1-OD2 3.55Å; R15-D823 IonicContact NH2-OD1 3.43Å; R15-D823 PolarHBondContact NH2-OD1 2.91Å; R15-D823 IonicContact NH2-OD2 2.75Å; R15-D823 PolarHBondContact NH2-OD2 2.9Å; R15-I861 VanDerWaalsContact NE-CG2 3.34Å; R15-A864 CarbonylContact C-O 3.56Å; R15-A864 HydrophobicContact CB-CB 4.32Å; R15-A864 PolarHBondContact O-N 2.89Å |
| 16 | Q | 94.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -75.3 | -34.9 | 177.7 | -178.8 | 178.8 | -66.8 | 0 | 0 | 111.9 | Y13 Y18 V19 L20 M25 A52 N476 A864 I865 | Y13-Q16 PolarHBondContact O-N 2.64Å; Q16-Y18 PolarHBondContact O-N 3.2Å; Q16-V19 WeakPolarHBondContact O-CA 3.37Å; Q16-V19 WeakPolarHBondContact O-CB 3.48Å; Q16-V19 PolarHBondContact O-N 2.88Å; Q16-L20 HydrophobicContact CG-CD1 3.72Å; Q16-L20 HydrophobicContact CG-CG 4.22Å; Q16-L20 PolarHBondContact O-N 3.34Å; Q16-M25 HydrophobicContact CG-SD 4.21Å; Q16-M25 PolarHBondContact NE2-SD 3.02Å; Q16-A52 PolarHBondContact NE2-O 2.8Å; Q16-N476 WeakPolarHBondContact CB-OD1 3.27Å; Q16-N476 PolarHBondContact OE1-ND2 3.42Å; Q16-A864 WeakPolarHBondContact CA-O 3.49Å; Q16-A864 PolarHBondContact N-O 3.42Å; Q16-I865 HydrophobicContact CG-CD1 4.07Å; Q16-I865 HydrophobicContact CG-CG1 4.22Å |
| 17 | R | 93.1 | Very high | 90.4 | Very high | 32 Ų | 32 | 35.4 Ų | 35.4 | 12% | 0.121 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.3 | -35.7 | 176.1 | -167.9 | 177.8 | 175.2 | -159.4 | -2.5 | 111.2 | D10 Y13 V19 G21 D22 L852 | D10-R17 WeakPolarHBondContact OD1-CD 3.33Å; D10-R17 IonicContact OD1-CZ 3.16Å; D10-R17 IonicContact OD1-NE 2.72Å; D10-R17 IonicContact OD1-NH1 3.55Å; D10-R17 PolarHBondContact OD1-NH1 2.64Å; D10-R17 IonicContact OD2-NH1 3.49Å; D10-R17 PolarHBondContact OD2-NH1 3.12Å; Y13-R17 WeakPolarHBondContact O-CB 3.41Å; Y13-R17 PolarHBondContact O-N 2.66Å; R17-V19 PolarHBondContact O-N 3.45Å; R17-G21 VanDerWaalsContact O-CA 3.25Å; R17-G21 WeakPolarHBondContact O-CA 3.21Å; R17-G21 PolarHBondContact O-N 2.67Å; R17-D22 IonicContact CZ-OD1 3.29Å; R17-D22 VanDerWaalsContact CZ-OD1 3.28Å; R17-D22 IonicContact CZ-OD2 3.55Å; R17-D22 IonicContact NE-OD1 2.91Å; R17-D22 PolarHBondContact NE-OD1 3.38Å; R17-D22 IonicContact NE-OD2 3.41Å; R17-D22 IonicContact NH2-OD1 3.01Å; R17-D22 PolarHBondContact NH2-OD1 2.93Å; R17-D22 VanDerWaalsContact NH2-OD1 3.11Å; R17-D22 IonicContact NH2-OD2 2.7Å; R17-D22 PolarHBondContact NH2-OD2 3.47Å; R17-L852 HydrophobicContact CG-CD2 4.18Å |
| 18 | Y | 92.3 | Very high | 91.3 | Very high | 26 Ų | 26 | 26.7 Ų | 26.7 | 10% | 0.102 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.2 | -15.5 | 173 | -59.7 | -54.2 | 0 | 0 | 0 | 115 | S14 Q16 L852 R856 I861 | S14-Y18 WeakPolarHBondContact O-CD2 3.2Å; S14-Y18 WeakPolarHBondContact O-CE2 3.32Å; Q16-Y18 PolarHBondContact O-N 3.2Å; Y18-L852 HydrophobicContact CE1-CD1 3.79Å; Y18-L852 HydrophobicContact CE1-CD2 4.27Å; Y18-L852 HydrophobicContact CE1-CG 3.66Å; Y18-L852 PolarHBondContact OH-O 2.76Å; Y18-L852 VanDerWaalsContact OH-O 3.06Å; Y18-R856 HydrophobicContact CD1-CB 4.03Å; Y18-R856 HydrophobicContact CD1-CG 3.96Å; Y18-R856 HydrophobicContact CD2-CG 4.36Å; Y18-R856 HydrophobicContact CE1-CB 3.45Å; Y18-R856 VanDerWaalsContact CE1-CB 3.45Å; Y18-R856 HydrophobicContact CE1-CG 3.88Å; Y18-R856 HydrophobicContact CE2-CB 4.29Å; Y18-R856 HydrophobicContact CE2-CG 4.35Å; Y18-R856 HydrophobicContact CG-CG 4.2Å; Y18-R856 PolarHBondContact OH-N 2.83Å; Y18-I861 HydrophobicContact CD2-CG2 3.79Å; Y18-I861 HydrophobicContact CE2-CB 4.21Å; Y18-I861 HydrophobicContact CE2-CD1 4.04Å; Y18-I861 HydrophobicContact CE2-CG2 3.62Å |
| 19 | V | 93.7 | Very high | 91.8 | Very high | 13 Ų | 13 | 26.3 Ų | 26.3 | 8% | 0.079 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -90.1 | -51.1 | 176.2 | -176.6 | 0 | 0 | 0 | 0 | 110 | Q16 R17 F379 T565 P863 I865 | Q16-V19 WeakPolarHBondContact O-CA 3.37Å; Q16-V19 WeakPolarHBondContact O-CB 3.48Å; Q16-V19 PolarHBondContact O-N 2.88Å; R17-V19 PolarHBondContact O-N 3.45Å; V19-F379 HydrophobicContact CG1-CE2 4.34Å; V19-F379 HydrophobicContact CG1-CZ 4Å; V19-F379 WeakPolarHBondContact O-CZ 3.27Å; V19-T565 HydrophobicContact CG1-CG2 3.85Å; V19-P863 HydrophobicContact CG2-CB 3.63Å; V19-I865 HydrophobicContact CG1-CG2 4.48Å |
| 20 | L | 93.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -91.4 | -36.4 | -170.8 | -60.8 | 178.4 | 0 | 0 | 0 | 112.8 | Q16 A24 M25 M28 K378 F379 I865 | Q16-L20 HydrophobicContact CG-CD1 3.72Å; Q16-L20 HydrophobicContact CG-CG 4.22Å; Q16-L20 PolarHBondContact O-N 3.34Å; L20-A24 HydrophobicContact CB-CB 3.96Å; L20-M25 HydrophobicContact CB-CG 4.47Å; L20-M25 HydrophobicContact CB-SD 4.39Å; L20-M25 HydrophobicContact CD1-SD 3.9Å; L20-M28 HydrophobicContact CD1-CE 4.18Å; L20-M28 HydrophobicContact CD1-SD 3.55Å; L20-M28 VanDerWaalsContact CD1-SD 3.55Å; L20-K378 WeakPolarHBondContact O-CD 3.26Å; L20-K378 WeakPolarHBondContact O-CE 3.27Å; L20-K378 PolarHBondContact O-NZ 2.84Å; L20-F379 HydrophobicContact CD2-CE2 3.61Å; L20-F379 HydrophobicContact CD2-CZ 4.13Å; L20-I865 HydrophobicContact CD1-CD1 4.23Å; L20-I865 HydrophobicContact CD2-CD1 4.44Å; L20-I865 HydrophobicContact CG-CD1 4.41Å |
| 21 | G | 91.4 | Very high | 92.9 | Very high | 25 Ų | 25 | 29.2 Ų | 29.2 | 26% | 0.258 | 16% | 0.16 | S | C | . | . | trans | 75.2 | 166.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R17 S23 A24 M25 | R17-G21 VanDerWaalsContact O-CA 3.25Å; R17-G21 WeakPolarHBondContact O-CA 3.21Å; R17-G21 PolarHBondContact O-N 2.67Å; G21-S23 PolarHBondContact O-N 3.49Å; G21-A24 PolarHBondContact O-N 3.2Å; G21-M25 WeakPolarHBondContact O-CG 3.31Å; G21-M25 PolarHBondContact O-N 3.25Å; G21-M25 VanDerWaalsContact O-N 3.16Å | ||
| 22 | D | 90.3 | Very high | 93.5 | Very high | 61 Ų | 61 | 28.1 Ų | 28.1 | 33% | 0.326 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -62.7 | -43.4 | -167.9 | -64.7 | 5.7 | 0 | 0 | 0 | 113.1 | R17 A24 M25 H26 | R17-D22 IonicContact CZ-OD1 3.29Å; R17-D22 VanDerWaalsContact CZ-OD1 3.28Å; R17-D22 IonicContact CZ-OD2 3.55Å; R17-D22 IonicContact NE-OD1 2.91Å; R17-D22 PolarHBondContact NE-OD1 3.38Å; R17-D22 IonicContact NE-OD2 3.41Å; R17-D22 IonicContact NH2-OD1 3.01Å; R17-D22 PolarHBondContact NH2-OD1 2.93Å; R17-D22 VanDerWaalsContact NH2-OD1 3.11Å; R17-D22 IonicContact NH2-OD2 2.7Å; R17-D22 PolarHBondContact NH2-OD2 3.47Å; D22-A24 VanDerWaalsContact C-N 3.3Å; D22-A24 PolarHBondContact O-N 2.9Å; D22-M25 PolarHBondContact O-N 2.96Å; D22-H26 PolarHBondContact O-N 3.16Å; D22-H26 PolarHBondContact O-ND1 3.11Å |
| 23 | S | 91.4 | Very high | 93.9 | Very high | 80 Ų | 80 | 27.5 Ų | 27.5 | 56% | 0.559 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -57.1 | -45.8 | -178.4 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | G21 H26 Q27 | G21-S23 PolarHBondContact O-N 3.49Å; S23-H26 PolarHBondContact O-N 3.42Å; S23-Q27 WeakPolarHBondContact O-CG 3.45Å; S23-Q27 PolarHBondContact O-N 3.08Å; S23-Q27 VanDerWaalsContact O-N 3.15Å |
| 24 | A | 94.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 3% | 0.025 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.8 | -41.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L20 G21 D22 H26 Q27 M28 T376 K378 | L20-A24 HydrophobicContact CB-CB 3.96Å; G21-A24 PolarHBondContact O-N 3.2Å; D22-A24 VanDerWaalsContact C-N 3.3Å; D22-A24 PolarHBondContact O-N 2.9Å; A24-H26 PolarHBondContact O-N 3.11Å; A24-Q27 PolarHBondContact O-N 3.48Å; A24-M28 VanDerWaalsContact O-CG 3.31Å; A24-M28 WeakPolarHBondContact O-CG 3.43Å; A24-M28 PolarHBondContact O-N 3.18Å; A24-T376 HydrophobicContact CB-CG2 3.89Å; A24-T376 WeakPolarHBondContact O-CG2 3.16Å; A24-K378 HydrophobicContact CB-CB 4.08Å; A24-K378 HydrophobicContact CB-CD 4.28Å; A24-K378 HydrophobicContact CB-CG 4.33Å |
| 25 | M | 94.6 | Very high | 94.7 | Very high | 8 Ų | 8 | 26.8 Ų | 26.8 | 4% | 0.039 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.8 | -43.2 | 176.1 | -69.1 | -64.9 | -60.7 | 0 | 0 | 112.2 | I8 Y13 Q16 L20 G21 D22 M28 A29 | I8-M25 HydrophobicContact CD1-CB 3.6Å; I8-M25 HydrophobicContact CD1-CG 4.36Å; I8-M25 HydrophobicContact CG1-CB 4.39Å; I8-M25 HydrophobicContact CG2-CE 4.34Å; Y13-M25 HydrophobicContact CD1-CE 3.66Å; Y13-M25 HydrophobicContact CD2-CE 4.17Å; Y13-M25 HydrophobicContact CE1-CE 4.2Å; Y13-M25 HydrophobicContact CG-CE 3.61Å; Q16-M25 HydrophobicContact CG-SD 4.21Å; Q16-M25 PolarHBondContact NE2-SD 3.02Å; L20-M25 HydrophobicContact CB-CG 4.47Å; L20-M25 HydrophobicContact CB-SD 4.39Å; L20-M25 HydrophobicContact CD1-SD 3.9Å; G21-M25 WeakPolarHBondContact O-CG 3.31Å; G21-M25 PolarHBondContact O-N 3.25Å; G21-M25 VanDerWaalsContact O-N 3.16Å; D22-M25 PolarHBondContact O-N 2.96Å; M25-M28 PolarHBondContact O-N 3.04Å; M25-A29 PolarHBondContact O-N 2.97Å |
| 26 | H | 94.4 | Very high | 95 | Very high | 48 Ų | 48 | 26.5 Ų | 26.5 | 22% | 0.222 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.4 | -39.7 | 177.5 | -69.9 | 99.5 | 0 | 0 | 0 | 112.5 | D22 S23 A24 A29 Q30 | D22-H26 PolarHBondContact O-N 3.16Å; D22-H26 PolarHBondContact O-ND1 3.11Å; S23-H26 PolarHBondContact O-N 3.42Å; A24-H26 PolarHBondContact O-N 3.11Å; H26-A29 PolarHBondContact O-N 3.43Å; H26-Q30 WeakPolarHBondContact O-CG 3.43Å; H26-Q30 PolarHBondContact O-N 3.38Å |
| 27 | Q | 95.3 | Very high | 95.2 | Very high | 72 Ų | 72 | 26.7 Ų | 26.7 | 34% | 0.336 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -64.6 | -40.7 | 176 | -72.6 | 165.9 | -23.8 | 0 | 0 | 111.8 | S23 A24 Q30 S31 T376 | S23-Q27 WeakPolarHBondContact O-CG 3.45Å; S23-Q27 PolarHBondContact O-N 3.08Å; S23-Q27 VanDerWaalsContact O-N 3.15Å; A24-Q27 PolarHBondContact O-N 3.48Å; Q27-Q30 PolarHBondContact O-N 3.38Å; Q27-S31 WeakPolarHBondContact O-CB 3.37Å; Q27-S31 PolarHBondContact O-N 3.37Å; Q27-S31 PolarHBondContact O-OG 2.82Å; Q27-T376 HydrophobicContact CB-CG2 4.35Å; Q27-T376 PolarHBondContact OE1-O 2.89Å |
| 28 | M | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.9 | -47.4 | 174.5 | -72.6 | 169.3 | 47.8 | 0 | 0 | 111.6 | L20 A24 M25 Q30 S31 A52 V54 K55 L372 I375 T376 | L20-M28 HydrophobicContact CD1-CE 4.18Å; L20-M28 HydrophobicContact CD1-SD 3.55Å; L20-M28 VanDerWaalsContact CD1-SD 3.55Å; A24-M28 VanDerWaalsContact O-CG 3.31Å; A24-M28 WeakPolarHBondContact O-CG 3.43Å; A24-M28 PolarHBondContact O-N 3.18Å; M25-M28 PolarHBondContact O-N 3.04Å; M28-Q30 PolarHBondContact O-N 3.02Å; M28-S31 PolarHBondContact O-N 2.68Å; M28-A52 HydrophobicContact CE-CB 3.6Å; M28-A52 WeakPolarHBondContact CE-O 3.41Å; M28-V54 CarbonylContact O-C 3.57Å; M28-V54 VanDerWaalsContact O-CA 3.26Å; M28-V54 WeakPolarHBondContact O-CA 3.33Å; M28-K55 PolarHBondContact O-N 3.31Å; M28-L372 HydrophobicContact CE-CD2 3.85Å; M28-L372 HydrophobicContact SD-CD2 4.17Å; M28-I375 HydrophobicContact CB-CD1 4.44Å; M28-I375 HydrophobicContact CG-CD1 3.89Å; M28-I375 HydrophobicContact CG-CG1 4.07Å; M28-T376 HydrophobicContact CG-CG2 3.41Å; M28-T376 VanDerWaalsContact CG-CG2 3.41Å; M28-T376 HydrophobicContact SD-CG2 3.99Å |
| 29 | A | 94.3 | Very high | 95.6 | Very high | 19 Ų | 19 | 24.1 Ų | 24.1 | 16% | 0.157 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -12.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | M6 M25 H26 K55 | M6-A29 HydrophobicContact CE-CB 3.56Å; M6-A29 HydrophobicContact SD-CB 4.19Å; M25-A29 PolarHBondContact O-N 2.97Å; H26-A29 PolarHBondContact O-N 3.43Å; A29-K55 WeakPolarHBondContact O-CB 3.26Å |
| 30 | Q | 95.7 | Very high | 95.7 | Very high | 131 Ų | 131 | 23.9 Ų | 23.9 | 61% | 0.612 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | -5.7 | 176.3 | -65 | 176.8 | 5 | 0 | 0 | 113.5 | H26 Q27 M28 | H26-Q30 WeakPolarHBondContact O-CG 3.43Å; H26-Q30 PolarHBondContact O-N 3.38Å; Q27-Q30 PolarHBondContact O-N 3.38Å; M28-Q30 PolarHBondContact O-N 3.02Å |
| 31 | S | 97.9 | Very high | 96 | Very high | 9 Ų | 9 | 24.1 Ų | 24.1 | 6% | 0.063 | 14% | 0.141 | C | C | . | . | trans | -100.1 | 131.8 | -172.5 | -64.4 | 0 | 0 | 0 | 0 | 112.7 | Q27 M28 K55 | Q27-S31 WeakPolarHBondContact O-CB 3.37Å; Q27-S31 PolarHBondContact O-N 3.37Å; Q27-S31 PolarHBondContact O-OG 2.82Å; M28-S31 PolarHBondContact O-N 2.68Å; S31-K55 WeakPolarHBondContact O-CB 3.32Å; S31-K55 PolarHBondContact O-N 2.87Å | ||
| 32 | S | 98.5 | Very high | 96.3 | Very high | 13 Ų | 13 | 23 Ų | 23 | 9% | 0.091 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136 | 175.1 | -67.6 | 0 | 0 | 0 | 0 | 110.7 | S56 Y123 Q124 | S32-S56 CarbonylContact C-O 3.52Å; S32-S56 WeakPolarHBondContact CA-O 3.28Å; S32-S56 WeakPolarHBondContact CB-OG 3.32Å; S32-S56 PolarHBondContact OG-OG 3.16Å; S32-Y123 WeakPolarHBondContact O-CA 3.25Å; S32-Q124 PolarHBondContact O-N 3.32Å; S32-Q124 PolarHBondContact O-OE1 3.41Å |
| 33 | V | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 138.5 | -175.8 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | I49 S56 V57 T58 C125 I127 V371 | V33-I49 HydrophobicContact CG1-CD1 4.35Å; V33-I49 HydrophobicContact CG2-CG2 4.44Å; V33-S56 PolarHBondContact N-O 3.32Å; V33-V57 CarbonylContact O-C 3.59Å; V33-V57 WeakPolarHBondContact O-CA 3.3Å; V33-T58 PolarHBondContact O-N 3.06Å; V33-C125 WeakPolarHBondContact CA-O 3.36Å; V33-C125 HydrophobicContact CG1-CB 4.47Å; V33-C125 HydrophobicContact CG2-CB 4.39Å; V33-I127 HydrophobicContact CG1-CD1 3.48Å; V33-I127 VanDerWaalsContact CG1-CD1 3.48Å; V33-I127 HydrophobicContact CG1-CG1 4.26Å; V33-V371 HydrophobicContact CG1-CG1 4.36Å; V33-V371 HydrophobicContact CG2-CG1 4.23Å |
| 34 | F | 98.8 | Very high | 97 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 1% | 0.013 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 127.8 | 169.5 | -178.7 | -96.8 | 0 | 0 | 0 | 109.8 | T58 H60 F119 L120 Y123 C125 V126 I127 | F34-T58 HydrophobicContact CD2-CG2 3.99Å; F34-T58 HydrophobicContact CE2-CG2 4.17Å; F34-H60 HydrophobicContact CE1-CB 4.33Å; F34-H60 HydrophobicContact CE2-CB 3.78Å; F34-H60 HydrophobicContact CZ-CB 3.51Å; F34-H60 AromaticContact CZ-CG 3.75Å; F34-F119 HydrophobicContact CD2-CE2 4.32Å; F34-F119 AromaticContact CE2-CE2 3.88Å; F34-F119 HydrophobicContact CE2-CE2 3.88Å; F34-F119 HydrophobicContact CZ-CE2 4.03Å; F34-F119 HydrophobicContact CZ-CZ 4.3Å; F34-L120 HydrophobicContact CB-CD2 4.47Å; F34-L120 HydrophobicContact CD1-CD2 3.86Å; F34-L120 HydrophobicContact CE1-CD2 4.18Å; F34-L120 HydrophobicContact CG-CD2 4.03Å; F34-Y123 HydrophobicContact CB-CD1 3.95Å; F34-Y123 HydrophobicContact CB-CD2 3.62Å; F34-Y123 HydrophobicContact CB-CE1 4.04Å; F34-Y123 HydrophobicContact CB-CE2 3.71Å; F34-Y123 HydrophobicContact CB-CG 3.75Å; F34-Y123 HydrophobicContact CD2-CE1 4.48Å; F34-Y123 AromaticContact CD2-CE2 3.77Å; F34-Y123 HydrophobicContact CD2-CE2 3.77Å; F34-Y123 AromaticContact CD2-CZ 3.72Å; F34-Y123 HydrophobicContact CG-CD2 4.31Å; F34-Y123 AromaticContact CG-CE2 4Å; F34-Y123 HydrophobicContact CG-CE2 4Å; F34-C125 PolarHBondContact N-O 2.73Å; F34-V126 HydrophobicContact CB-CG2 4.3Å; F34-V126 HydrophobicContact CD1-CG1 4.19Å; F34-V126 WeakPolarHBondContact O-CA 3.39Å; F34-I127 PolarHBondContact O-N 3.35Å |
| 35 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 116 | -178.6 | 173.9 | 62 | 0 | 0 | 0 | 110.2 | M38 G42 I45 A46 T58 L59 H60 I127 T129 | L35-M38 HydrophobicContact CB-CE 4.33Å; L35-M38 HydrophobicContact CD2-CE 3.57Å; L35-M38 HydrophobicContact CG-CE 3.51Å; L35-G42 WeakPolarHBondContact CD2-O 3.38Å; L35-I45 HydrophobicContact CD1-CB 4.47Å; L35-I45 HydrophobicContact CD1-CG2 4.07Å; L35-I45 HydrophobicContact CD2-CB 4.21Å; L35-I45 HydrophobicContact CD2-CG2 3.98Å; L35-A46 HydrophobicContact CD2-CB 3.77Å; L35-T58 PolarHBondContact N-O 3.12Å; L35-L59 HydrophobicContact CD2-CD2 4.18Å; L35-H60 PolarHBondContact O-N 2.99Å; L35-I127 WeakPolarHBondContact CA-O 3.45Å; L35-I127 HydrophobicContact CB-CD1 4.44Å; L35-I127 HydrophobicContact CD1-CB 3.6Å; L35-I127 HydrophobicContact CD1-CD1 4.16Å; L35-I127 HydrophobicContact CD1-CG2 3.46Å; L35-I127 VanDerWaalsContact CD1-CG2 3.46Å; L35-T129 HydrophobicContact CD1-CG2 4.35Å |
| 36 | S | 98.5 | Very high | 97.5 | Very high | 12 Ų | 12 | 15.9 Ų | 15.9 | 8% | 0.084 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 136.5 | 177.6 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | H60 I127 T129 | S36-H60 CarbonylContact C-O 3.29Å; S36-H60 WeakPolarHBondContact CA-O 3.4Å; S36-H60 WeakPolarHBondContact CB-ND1 3.49Å; S36-H60 PolarHBondContact OG-CE1 2.89Å; S36-H60 PolarHBondContact OG-ND1 3.26Å; S36-I127 PolarHBondContact N-O 3.04Å; S36-T129 PolarHBondContact O-N 3.03Å; S36-T129 PolarHBondContact O-OG1 2.74Å |
| 37 | G | 97.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 13.6 Ų | 13.6 | 4% | 0.041 | 7% | 0.074 | C | C | . | . | trans | 90.3 | 119.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | G42 H60 T129 | G37-G42 WeakPolarHBondContact O-CA 3.35Å; G37-H60 PolarHBondContact N-O 3.06Å; G37-T129 WeakPolarHBondContact CA-OG1 3.47Å; G37-T129 PolarHBondContact O-OG1 3.14Å | ||
| 38 | M | 97.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.058 | C | C | . | . | trans | -116.7 | 31.6 | -178.8 | -65.5 | -69.2 | 108.5 | 0 | 0 | 111.8 | L35 L59 D61 N73 R87 V88 V91 | L35-M38 HydrophobicContact CB-CE 4.33Å; L35-M38 HydrophobicContact CD2-CE 3.57Å; L35-M38 HydrophobicContact CG-CE 3.51Å; M38-L59 HydrophobicContact CE-CB 4.23Å; M38-L59 HydrophobicContact CE-CD2 3.95Å; M38-L59 HydrophobicContact SD-CB 3.94Å; M38-L59 HydrophobicContact SD-CD1 4.19Å; M38-L59 HydrophobicContact SD-CD2 4.03Å; M38-L59 HydrophobicContact SD-CG 4.27Å; M38-D61 WeakPolarHBondContact CA-OD2 3.31Å; M38-D61 HydrophobicContact CB-CB 3.86Å; M38-D61 WeakPolarHBondContact CB-OD2 3.41Å; M38-D61 HydrophobicContact CG-CB 3.83Å; M38-D61 PolarHBondContact N-OD2 3.48Å; M38-N73 PolarHBondContact O-ND2 2.6Å; M38-R87 HydrophobicContact CB-CB 4.14Å; M38-V88 HydrophobicContact CG-CB 4.27Å; M38-V88 HydrophobicContact CG-CG2 4.3Å; M38-V91 HydrophobicContact SD-CG1 4.14Å | ||
| 39 | G | 96.5 | Very high | 98 | Very high | 3 Ų | 3 | 10.2 Ų | 10.2 | 3% | 0.031 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -73.9 | -159.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L41 G42 V43 E130 | G39-L41 PolarHBondContact O-N 3.43Å; G39-G42 PolarHBondContact O-N 3.22Å; G39-V43 WeakPolarHBondContact O-CG1 3.23Å; G39-V43 PolarHBondContact O-N 3.42Å; G39-E130 WeakPolarHBondContact CA-OE2 3.36Å; G39-E130 PolarHBondContact N-OE2 2.93Å |
| 40 | A | 96.9 | Very high | 98.2 | Very high | 9 Ų | 9 | 9.3 Ų | 9.3 | 7% | 0.074 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -57.6 | -46.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V43 E44 C72 T355 A360 | A40-V43 WeakPolarHBondContact O-CG1 3.47Å; A40-E44 WeakPolarHBondContact O-CG 3.18Å; A40-E44 PolarHBondContact O-N 2.95Å; A40-C72 VanDerWaalsContact CA-O 3.29Å; A40-C72 WeakPolarHBondContact CA-O 3.49Å; A40-C72 HydrophobicContact CB-CB 3.79Å; A40-C72 VanDerWaalsContact CB-O 3.26Å; A40-C72 WeakPolarHBondContact CB-O 3.49Å; A40-T355 HydrophobicContact CB-CG2 3.7Å; A40-A360 HydrophobicContact CB-CB 3.8Å |
| 41 | L | 98 | Very high | 98.3 | Very high | 7 Ų | 7 | 3.2 Ų | 3.2 | 4% | 0.037 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -73 | -41.1 | -179.3 | 177.9 | 62.3 | 0 | 0 | 0 | 111.9 | G39 V43 E44 I45 T129 C155 T157 A360 V363 | G39-L41 PolarHBondContact O-N 3.43Å; L41-V43 PolarHBondContact O-N 3.17Å; L41-E44 PolarHBondContact O-N 3.16Å; L41-I45 HydrophobicContact CD1-CD1 4.07Å; L41-I45 HydrophobicContact CD1-CG1 4.38Å; L41-I45 HydrophobicContact CG-CD1 3.96Å; L41-I45 WeakPolarHBondContact O-CG1 3.17Å; L41-I45 PolarHBondContact O-N 2.91Å; L41-I45 VanDerWaalsContact O-N 3.08Å; L41-T129 HydrophobicContact CD2-CG2 4.08Å; L41-T129 HydrophobicContact CG-CG2 4.24Å; L41-C155 HydrophobicContact CD2-CB 3.9Å; L41-C155 WeakPolarHBondContact CD2-O 3.17Å; L41-C155 WeakPolarHBondContact CD2-SG 3.45Å; L41-T157 HydrophobicContact CB-CG2 4.41Å; L41-T157 HydrophobicContact CD1-CG2 4.44Å; L41-T157 HydrophobicContact CD2-CG2 4.04Å; L41-A360 HydrophobicContact CB-CB 4.49Å; L41-V363 HydrophobicContact CD1-CB 4.25Å; L41-V363 HydrophobicContact CD1-CG1 4Å |
| 42 | G | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 2.9 Ų | 2.9 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -59.9 | -45.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L35 G37 G39 E44 I45 A46 | L35-G42 WeakPolarHBondContact CD2-O 3.38Å; G37-G42 WeakPolarHBondContact O-CA 3.35Å; G39-G42 PolarHBondContact O-N 3.22Å; G42-E44 VanDerWaalsContact C-N 3.35Å; G42-E44 PolarHBondContact O-N 3.29Å; G42-I45 PolarHBondContact O-N 3.22Å; G42-A46 WeakPolarHBondContact O-CB 3.43Å; G42-A46 PolarHBondContact O-N 3.11Å |
| 43 | V | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -67.1 | -34.4 | 179.7 | 70.6 | 0 | 0 | 0 | 0 | 112.8 | G39 A40 L41 A46 K47 N73 F74 F75 V91 | G39-V43 WeakPolarHBondContact O-CG1 3.23Å; G39-V43 PolarHBondContact O-N 3.42Å; A40-V43 WeakPolarHBondContact O-CG1 3.47Å; L41-V43 PolarHBondContact O-N 3.17Å; V43-A46 PolarHBondContact O-N 3.19Å; V43-K47 WeakPolarHBondContact O-CB 3.35Å; V43-K47 PolarHBondContact O-N 2.94Å; V43-N73 HydrophobicContact CG1-CB 4.34Å; V43-F74 HydrophobicContact CB-CZ 4.46Å; V43-F74 HydrophobicContact CG1-CD1 4.16Å; V43-F74 HydrophobicContact CG1-CE1 3.67Å; V43-F74 HydrophobicContact CG1-CZ 4.04Å; V43-F74 HydrophobicContact CG2-CE1 4.3Å; V43-F74 HydrophobicContact CG2-CE2 4.03Å; V43-F74 HydrophobicContact CG2-CZ 3.85Å; V43-F75 HydrophobicContact CG2-CB 4.37Å; V43-F75 HydrophobicContact CG2-CD2 3.52Å; V43-F75 HydrophobicContact CG2-CE2 4.22Å; V43-F75 HydrophobicContact CG2-CG 4.29Å; V43-V91 HydrophobicContact CG2-CG1 4.07Å |
| 44 | E | 98.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 2.7 Ų | 2.7 | 2% | 0.019 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -63.4 | -44.2 | 173.1 | -76.1 | -70.9 | 174.1 | 0 | 0 | 111.7 | A40 L41 G42 K47 N48 F74 K446 | A40-E44 WeakPolarHBondContact O-CG 3.18Å; A40-E44 PolarHBondContact O-N 2.95Å; L41-E44 PolarHBondContact O-N 3.16Å; G42-E44 VanDerWaalsContact C-N 3.35Å; G42-E44 PolarHBondContact O-N 3.29Å; E44-K47 WeakPolarHBondContact OE2-CE 3.42Å; E44-K47 IonicContact OE2-NZ 3.11Å; E44-K47 PolarHBondContact OE2-NZ 3.11Å; E44-N48 PolarHBondContact O-N 3.36Å; E44-N48 PolarHBondContact O-ND2 3.07Å; E44-F74 HydrophobicContact CG-CE1 4.01Å; E44-F74 VanDerWaalsContact OE1-CE1 3.28Å; E44-F74 WeakPolarHBondContact OE1-CE1 3.31Å; E44-K446 WeakPolarHBondContact OE1-CE 3.34Å; E44-K446 IonicContact OE1-NZ 3.23Å; E44-K446 PolarHBondContact OE1-NZ 3.22Å; E44-K446 IonicContact OE2-NZ 3.8Å |
| 45 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -64.2 | -46.8 | 177.4 | -65.9 | 170.3 | 0 | 0 | 0 | 110.6 | L35 L41 G42 K47 N48 I49 I127 T129 C155 A367 S368 | L35-I45 HydrophobicContact CD1-CB 4.47Å; L35-I45 HydrophobicContact CD1-CG2 4.07Å; L35-I45 HydrophobicContact CD2-CB 4.21Å; L35-I45 HydrophobicContact CD2-CG2 3.98Å; L41-I45 HydrophobicContact CD1-CD1 4.07Å; L41-I45 HydrophobicContact CD1-CG1 4.38Å; L41-I45 HydrophobicContact CG-CD1 3.96Å; L41-I45 WeakPolarHBondContact O-CG1 3.17Å; L41-I45 PolarHBondContact O-N 2.91Å; L41-I45 VanDerWaalsContact O-N 3.08Å; G42-I45 PolarHBondContact O-N 3.22Å; I45-K47 PolarHBondContact O-N 2.98Å; I45-N48 PolarHBondContact O-N 3.44Å; I45-I49 HydrophobicContact CG2-CD1 3.41Å; I45-I49 VanDerWaalsContact CG2-CD1 3.41Å; I45-I49 HydrophobicContact CG2-CG1 4.27Å; I45-I49 WeakPolarHBondContact O-CD1 3.23Å; I45-I49 VanDerWaalsContact O-CG1 3.27Å; I45-I49 WeakPolarHBondContact O-CG1 3.41Å; I45-I49 PolarHBondContact O-N 2.9Å; I45-I127 HydrophobicContact CD1-CG2 4.37Å; I45-I127 HydrophobicContact CG2-CD1 4.01Å; I45-T129 HydrophobicContact CD1-CG2 4.03Å; I45-C155 HydrophobicContact CD1-CB 4.48Å; I45-A367 HydrophobicContact CD1-CB 3.93Å; I45-A367 HydrophobicContact CG1-CB 4.2Å; I45-S368 WeakPolarHBondContact CA-OG 3.31Å |
| 46 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -57.3 | -50 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L35 G42 V43 N48 I49 V50 L59 V95 | L35-A46 HydrophobicContact CD2-CB 3.77Å; G42-A46 WeakPolarHBondContact O-CB 3.43Å; G42-A46 PolarHBondContact O-N 3.11Å; V43-A46 PolarHBondContact O-N 3.19Å; A46-N48 PolarHBondContact O-N 3.38Å; A46-I49 PolarHBondContact O-N 2.74Å; A46-V50 WeakPolarHBondContact O-CB 3.38Å; A46-V50 WeakPolarHBondContact O-CG2 3.45Å; A46-V50 PolarHBondContact O-N 3.36Å; A46-L59 HydrophobicContact CB-CD2 3.79Å; A46-V95 HydrophobicContact CB-CG1 4.32Å; A46-V95 HydrophobicContact CB-CG2 4.26Å |
| 47 | K | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -52 | -53.9 | 177.1 | 167.7 | -170.5 | 62.5 | 95.6 | 0 | 111.1 | V43 E44 I45 V50 L51 F74 L98 E443 F479 | V43-K47 WeakPolarHBondContact O-CB 3.35Å; V43-K47 PolarHBondContact O-N 2.94Å; E44-K47 WeakPolarHBondContact OE2-CE 3.42Å; E44-K47 IonicContact OE2-NZ 3.11Å; E44-K47 PolarHBondContact OE2-NZ 3.11Å; I45-K47 PolarHBondContact O-N 2.98Å; K47-V50 PolarHBondContact O-N 3Å; K47-L51 HydrophobicContact CG-CD1 3.76Å; K47-L51 WeakPolarHBondContact O-CB 3.22Å; K47-L51 VanDerWaalsContact O-CG 3.22Å; K47-L51 WeakPolarHBondContact O-CG 3.34Å; K47-L51 PolarHBondContact O-N 3.02Å; K47-F74 HydrophobicContact CB-CZ 4.21Å; K47-F74 HydrophobicContact CD-CE2 4.14Å; K47-F74 HydrophobicContact CD-CZ 3.89Å; K47-L98 HydrophobicContact CB-CD1 4.04Å; K47-L98 HydrophobicContact CG-CD1 3.94Å; K47-E443 IonicContact NZ-OE1 2.64Å; K47-E443 PolarHBondContact NZ-OE1 3.28Å; K47-E443 IonicContact NZ-OE2 2.79Å; K47-F479 HydrophobicContact CD-CB 4.23Å; K47-F479 HydrophobicContact CD-CD1 3.83Å; K47-F479 HydrophobicContact CD-CD2 3.92Å; K47-F479 HydrophobicContact CD-CE1 4.16Å; K47-F479 HydrophobicContact CD-CE2 4.25Å; K47-F479 HydrophobicContact CD-CG 3.71Å; K47-F479 HydrophobicContact CD-CZ 4.36Å; K47-F479 HydrophobicContact CG-CB 4.41Å; K47-F479 HydrophobicContact CG-CG 4.35Å |
| 48 | N | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -69 | -39.1 | -172.6 | -69.6 | -41.3 | 0 | 0 | 0 | 112.5 | E44 I45 A46 A52 S368 T867 | E44-N48 PolarHBondContact O-N 3.36Å; E44-N48 PolarHBondContact O-ND2 3.07Å; I45-N48 PolarHBondContact O-N 3.44Å; A46-N48 PolarHBondContact O-N 3.38Å; N48-A52 VanDerWaalsContact O-CB 3.29Å; N48-A52 WeakPolarHBondContact O-CB 3.45Å; N48-A52 PolarHBondContact O-N 3.2Å; N48-S368 VanDerWaalsContact CB-OG 3.3Å; N48-S368 WeakPolarHBondContact CB-OG 3.49Å; N48-S368 PolarHBondContact ND2-OG 3.28Å; N48-T867 HydrophobicContact CB-CG2 4.25Å |
| 49 | I | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -66.4 | -42.5 | 178 | -65.4 | 165.9 | 0 | 0 | 0 | 111 | V33 I45 A46 A52 G53 V54 V57 I127 V371 | V33-I49 HydrophobicContact CG1-CD1 4.35Å; V33-I49 HydrophobicContact CG2-CG2 4.44Å; I45-I49 HydrophobicContact CG2-CD1 3.41Å; I45-I49 VanDerWaalsContact CG2-CD1 3.41Å; I45-I49 HydrophobicContact CG2-CG1 4.27Å; I45-I49 WeakPolarHBondContact O-CD1 3.23Å; I45-I49 VanDerWaalsContact O-CG1 3.27Å; I45-I49 WeakPolarHBondContact O-CG1 3.41Å; I45-I49 PolarHBondContact O-N 2.9Å; A46-I49 PolarHBondContact O-N 2.74Å; I49-A52 WeakPolarHBondContact O-CB 3.44Å; I49-A52 PolarHBondContact O-N 2.93Å; I49-G53 PolarHBondContact O-N 3.09Å; I49-V54 HydrophobicContact CG2-CB 4.3Å; I49-V54 HydrophobicContact CG2-CG1 3.65Å; I49-V54 HydrophobicContact CG2-CG2 3.64Å; I49-V57 HydrophobicContact CG2-CG2 3.74Å; I49-I127 HydrophobicContact CD1-CD1 3.61Å; I49-V371 HydrophobicContact CD1-CB 4.16Å; I49-V371 HydrophobicContact CD1-CG1 3.8Å; I49-V371 HydrophobicContact CD1-CG2 4Å; I49-V371 HydrophobicContact CG1-CB 4.29Å; I49-V371 HydrophobicContact CG1-CG1 4.03Å |
| 50 | V | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -68.5 | -43.1 | 179.8 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | A46 K47 A52 G53 V57 V95 L98 N99 V102 V104 | A46-V50 WeakPolarHBondContact O-CB 3.38Å; A46-V50 WeakPolarHBondContact O-CG2 3.45Å; A46-V50 PolarHBondContact O-N 3.36Å; K47-V50 PolarHBondContact O-N 3Å; V50-A52 PolarHBondContact O-N 3.48Å; V50-G53 PolarHBondContact O-N 3.4Å; V50-G53 VanDerWaalsContact O-N 3.12Å; V50-V57 HydrophobicContact CG2-CB 4.35Å; V50-V57 HydrophobicContact CG2-CG2 3.86Å; V50-V95 HydrophobicContact CB-CG1 4.19Å; V50-V95 HydrophobicContact CG1-CG1 4.42Å; V50-V95 HydrophobicContact CG2-CG1 3.61Å; V50-L98 HydrophobicContact CG1-CB 4.06Å; V50-N99 HydrophobicContact CG1-CB 3.71Å; V50-N99 VanDerWaalsContact O-CB 3.31Å; V50-N99 WeakPolarHBondContact O-CB 3.5Å; V50-N99 PolarHBondContact O-ND2 3.19Å; V50-V102 HydrophobicContact CG1-CB 4.14Å; V50-V102 HydrophobicContact CG1-CG1 4.41Å; V50-V102 HydrophobicContact CG1-CG2 4.3Å; V50-V102 HydrophobicContact CG2-CG1 4.18Å; V50-V102 WeakPolarHBondContact O-CG2 3.47Å; V50-V104 HydrophobicContact CG1-CG2 4.42Å; V50-V104 HydrophobicContact CG2-CG2 4Å |
| 51 | L | 98.2 | Very high | 98.3 | Very high | 2 Ų | 2 | 8.1 Ų | 8.1 | 1% | 0.01 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -58.9 | -36.3 | 172.2 | -74 | 171.9 | 0 | 0 | 0 | 112.3 | K47 G53 L98 L475 N476 F479 A866 | K47-L51 HydrophobicContact CG-CD1 3.76Å; K47-L51 WeakPolarHBondContact O-CB 3.22Å; K47-L51 VanDerWaalsContact O-CG 3.22Å; K47-L51 WeakPolarHBondContact O-CG 3.34Å; K47-L51 PolarHBondContact O-N 3.02Å; L51-G53 VanDerWaalsContact C-N 3.28Å; L51-G53 PolarHBondContact O-N 3.29Å; L51-L98 HydrophobicContact CD2-CB 4.1Å; L51-L98 HydrophobicContact CG-CB 4.45Å; L51-L98 HydrophobicContact CG-CD1 4.46Å; L51-L475 WeakPolarHBondContact CD2-O 3.49Å; L51-N476 PolarHBondContact O-ND2 2.85Å; L51-F479 HydrophobicContact CD1-CB 3.78Å; L51-F479 HydrophobicContact CD2-CB 4.48Å; L51-A866 HydrophobicContact CB-CB 4.46Å; L51-A866 HydrophobicContact CD1-CB 4.04Å |
| 52 | A | 96.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 11.3 Ų | 11.3 | 2% | 0.017 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -66.9 | -26.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y13 Q16 M28 N48 I49 V50 L372 | Y13-A52 WeakPolarHBondContact CE1-O 3.07Å; Q16-A52 PolarHBondContact NE2-O 2.8Å; M28-A52 HydrophobicContact CE-CB 3.6Å; M28-A52 WeakPolarHBondContact CE-O 3.41Å; N48-A52 VanDerWaalsContact O-CB 3.29Å; N48-A52 WeakPolarHBondContact O-CB 3.45Å; N48-A52 PolarHBondContact O-N 3.2Å; I49-A52 WeakPolarHBondContact O-CB 3.44Å; I49-A52 PolarHBondContact O-N 2.93Å; V50-A52 PolarHBondContact O-N 3.48Å; A52-L372 HydrophobicContact CB-CD1 3.96Å; A52-L372 HydrophobicContact CB-CD2 3.73Å; A52-L372 HydrophobicContact CB-CG 4.47Å |
| 53 | G | 96.4 | Very high | 98.1 | Very high | 7 Ų | 7 | 15.2 Ų | 15.2 | 7% | 0.072 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | 57.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | Y13 I49 V50 L51 | Y13-G53 WeakPolarHBondContact OH-CA 3.23Å; I49-G53 PolarHBondContact O-N 3.09Å; V50-G53 PolarHBondContact O-N 3.4Å; V50-G53 VanDerWaalsContact O-N 3.12Å; L51-G53 VanDerWaalsContact C-N 3.28Å; L51-G53 PolarHBondContact O-N 3.29Å |
| 54 | V | 97.6 | Very high | 98 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.018 | 10% | 0.099 | C | C | . | . | trans | -78.7 | 167.7 | 167.4 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | M28 I49 V57 V102 I375 | M28-V54 CarbonylContact O-C 3.57Å; M28-V54 VanDerWaalsContact O-CA 3.26Å; M28-V54 WeakPolarHBondContact O-CA 3.33Å; I49-V54 HydrophobicContact CG2-CB 4.3Å; I49-V54 HydrophobicContact CG2-CG1 3.65Å; I49-V54 HydrophobicContact CG2-CG2 3.64Å; V54-V57 HydrophobicContact CG2-CG2 3.37Å; V54-V102 HydrophobicContact CG2-CG1 3.94Å; V54-V102 WeakPolarHBondContact O-CG1 3.23Å; V54-V102 WeakPolarHBondContact O-CG2 3.35Å; V54-I375 HydrophobicContact CG1-CD1 3.57Å | ||
| 55 | K | 97.6 | Very high | 97.9 | Very high | 112 Ų | 112 | 19.3 Ų | 19.3 | 49% | 0.487 | 10% | 0.1 | S | C | . | . | S | Bend | trans | -59.5 | -54.4 | 176.4 | -173.2 | -175.9 | 172 | -175.3 | 0 | 111.8 | M28 A29 S31 Q103 | M28-K55 PolarHBondContact O-N 3.31Å; A29-K55 WeakPolarHBondContact O-CB 3.26Å; S31-K55 WeakPolarHBondContact O-CB 3.32Å; S31-K55 PolarHBondContact O-N 2.87Å; K55-Q103 PolarHBondContact O-N 3.46Å |
| 56 | S | 98.4 | Very high | 97.8 | Very high | 10 Ų | 10 | 23.9 Ų | 23.9 | 7% | 0.07 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 151.4 | -179.9 | 69.7 | 0 | 0 | 0 | 0 | 112.5 | S32 V33 Q103 | S32-S56 CarbonylContact C-O 3.52Å; S32-S56 WeakPolarHBondContact CA-O 3.28Å; S32-S56 WeakPolarHBondContact CB-OG 3.32Å; S32-S56 PolarHBondContact OG-OG 3.16Å; V33-S56 PolarHBondContact N-O 3.32Å; S56-Q103 CarbonylContact C-O 3.57Å; S56-Q103 WeakPolarHBondContact CA-O 3.28Å; S56-Q103 VanDerWaalsContact CB-O 3.29Å; S56-Q103 WeakPolarHBondContact CB-O 3.43Å |
| 57 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 126.8 | 172.5 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | V33 I49 V50 V54 L59 V102 Q103 V104 D105 | V33-V57 CarbonylContact O-C 3.59Å; V33-V57 WeakPolarHBondContact O-CA 3.3Å; I49-V57 HydrophobicContact CG2-CG2 3.74Å; V50-V57 HydrophobicContact CG2-CB 4.35Å; V50-V57 HydrophobicContact CG2-CG2 3.86Å; V54-V57 HydrophobicContact CG2-CG2 3.37Å; V57-L59 HydrophobicContact CG1-CD2 3.63Å; V57-L59 HydrophobicContact CG1-CG 4.45Å; V57-V102 HydrophobicContact CG2-CG1 4.18Å; V57-Q103 PolarHBondContact N-O 2.86Å; V57-V104 CarbonylContact O-C 3.58Å; V57-V104 WeakPolarHBondContact O-CA 3.17Å; V57-D105 PolarHBondContact O-N 3.44Å |
| 58 | T | 98.8 | Very high | 97.3 | Very high | 8 Ų | 8 | 31.2 Ų | 31.2 | 5% | 0.049 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 114.5 | 167.2 | -58.3 | 0 | 0 | 0 | 0 | 108.9 | V33 F34 L35 D105 Y123 | V33-T58 PolarHBondContact O-N 3.06Å; F34-T58 HydrophobicContact CD2-CG2 3.99Å; F34-T58 HydrophobicContact CE2-CG2 4.17Å; L35-T58 PolarHBondContact N-O 3.12Å; T58-D105 CarbonylContact C-O 3.56Å; T58-D105 WeakPolarHBondContact CA-O 3.28Å; T58-D105 HydrophobicContact CG2-CB 4.35Å; T58-Y123 WeakPolarHBondContact CB-OH 3.29Å; T58-Y123 WeakPolarHBondContact OG1-CE1 2.92Å; T58-Y123 PolarHBondContact OG1-OH 3.26Å |
| 59 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 136.1 | 175.3 | -52.7 | 179.2 | 0 | 0 | 0 | 109.4 | L35 M38 A46 V57 V88 V91 C92 V95 V104 D105 M106 S107 | L35-L59 HydrophobicContact CD2-CD2 4.18Å; M38-L59 HydrophobicContact CE-CB 4.23Å; M38-L59 HydrophobicContact CE-CD2 3.95Å; M38-L59 HydrophobicContact SD-CB 3.94Å; M38-L59 HydrophobicContact SD-CD1 4.19Å; M38-L59 HydrophobicContact SD-CD2 4.03Å; M38-L59 HydrophobicContact SD-CG 4.27Å; A46-L59 HydrophobicContact CB-CD2 3.79Å; V57-L59 HydrophobicContact CG1-CD2 3.63Å; V57-L59 HydrophobicContact CG1-CG 4.45Å; L59-V88 HydrophobicContact CB-CG2 3.76Å; L59-V88 WeakPolarHBondContact O-CG2 3.3Å; L59-V91 HydrophobicContact CD1-CG1 4.38Å; L59-C92 HydrophobicContact CD1-CB 4.34Å; L59-V95 HydrophobicContact CD1-CB 4.19Å; L59-V95 HydrophobicContact CD1-CG1 4.19Å; L59-V95 HydrophobicContact CD1-CG2 4.31Å; L59-V104 HydrophobicContact CD1-CG1 3.71Å; L59-V104 HydrophobicContact CG-CG1 3.97Å; L59-D105 PolarHBondContact N-O 3.39Å; L59-M106 CarbonylContact O-C 3.59Å; L59-M106 VanDerWaalsContact O-CA 3.3Å; L59-M106 WeakPolarHBondContact O-CA 3.22Å; L59-S107 PolarHBondContact O-N 3.48Å |
| 60 | H | 98.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 128.4 | 179.6 | 166.1 | -98.9 | 0 | 0 | 0 | 111.3 | F34 L35 S36 G37 S107 L109 | F34-H60 HydrophobicContact CE1-CB 4.33Å; F34-H60 HydrophobicContact CE2-CB 3.78Å; F34-H60 HydrophobicContact CZ-CB 3.51Å; F34-H60 AromaticContact CZ-CG 3.75Å; L35-H60 PolarHBondContact O-N 2.99Å; S36-H60 CarbonylContact C-O 3.29Å; S36-H60 WeakPolarHBondContact CA-O 3.4Å; S36-H60 WeakPolarHBondContact CB-ND1 3.49Å; S36-H60 PolarHBondContact OG-CE1 2.89Å; S36-H60 PolarHBondContact OG-ND1 3.26Å; G37-H60 PolarHBondContact N-O 3.06Å; H60-S107 VanDerWaalsContact CA-O 3.27Å; H60-S107 WeakPolarHBondContact CA-O 3.49Å; H60-S107 PolarHBondContact CD2-O 3.39Å; H60-S107 VanDerWaalsContact CD2-O 3.29Å; H60-L109 PolarHBondContact CD2-O 3.25Å; H60-L109 PolarHBondContact NE2-O 3.27Å |
| 61 | D | 98.1 | Very high | 96.9 | Very high | 6 Ų | 6 | 31.8 Ų | 31.8 | 3% | 0.032 | 16% | 0.16 | C | C | . | . | trans | -156.6 | 148.7 | 167 | -157.3 | -27.5 | 0 | 0 | 0 | 109.4 | M38 K63 R87 V88 S107 S108 | M38-D61 WeakPolarHBondContact CA-OD2 3.31Å; M38-D61 HydrophobicContact CB-CB 3.86Å; M38-D61 WeakPolarHBondContact CB-OD2 3.41Å; M38-D61 HydrophobicContact CG-CB 3.83Å; M38-D61 PolarHBondContact N-OD2 3.48Å; D61-K63 WeakPolarHBondContact OD1-CB 3.49Å; D61-K63 PolarHBondContact OD1-N 3.11Å; D61-R87 HydrophobicContact CB-CB 4.42Å; D61-R87 WeakPolarHBondContact OD2-CD 3.15Å; D61-V88 HydrophobicContact CB-CB 3.95Å; D61-V88 WeakPolarHBondContact O-CG1 3.29Å; D61-S107 PolarHBondContact N-O 2.95Å; D61-S108 WeakPolarHBondContact O-CA 3.42Å | ||
| 62 | T | 96.2 | Very high | 96.7 | Very high | 74 Ų | 74 | 32.2 Ų | 32.2 | 45% | 0.454 | 16% | 0.163 | S | C | . | . | trans | -109.8 | -9.5 | 177.4 | 56 | 0 | 0 | 0 | 0 | 112.8 | P110 | T62-P110 HydrophobicContact CG2-CB 4.45Å; T62-P110 HydrophobicContact CG2-CG 4.45Å | ||
| 63 | K | 96.1 | Very high | 96.7 | Very high | 82 Ų | 82 | 32.1 Ų | 32.1 | 36% | 0.357 | 16% | 0.162 | S | C | . | . | P | Polyproline II helix | trans | -81.7 | 151 | -177.7 | -62.3 | 176.5 | -173.9 | 177.8 | 0 | 111.5 | D61 R87 E130 | D61-K63 WeakPolarHBondContact OD1-CB 3.49Å; D61-K63 PolarHBondContact OD1-N 3.11Å; K63-R87 HydrophobicContact CB-CG 4.48Å; K63-R87 PolarHBondContact O-N 3.16Å; K63-E130 IonicContact NZ-OE1 3.83Å; K63-E130 PolarHBondContact NZ-OE1 2.85Å |
| 64 | N | 97.4 | Very high | 96.7 | Very high | 86 Ų | 86 | 32 Ų | 32 | 46% | 0.46 | 16% | 0.16 | S | C | . | . | B | Isolated β-bridge | trans | -86.6 | 155.9 | 171.9 | -67.4 | -23.4 | 0 | 0 | 0 | 111.3 | E66 | N64-E66 PolarHBondContact O-N 3.17Å |
| 65 | C | 97.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.027 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 127.8 | 171.5 | -65.2 | 0 | 0 | 0 | 0 | 110.3 | I76 D80 V81 R85 | C65-I76 HydrophobicContact CB-CG2 4.11Å; C65-D80 HydrophobicContact CB-CB 4.35Å; C65-V81 HydrophobicContact CB-CG2 4.06Å; C65-R85 PolarHBondContact N-O 2.94Å; C65-R85 PolarHBondContact SG-O 2.96Å; C65-R85 VanDerWaalsContact SG-O 3.4Å |
| 66 | E | 95.6 | Very high | 96.8 | Very high | 97 Ų | 97 | 27.1 Ų | 27.1 | 45% | 0.453 | 14% | 0.138 | S | C | . | . | trans | -121.2 | 162.6 | 175.8 | -70.2 | 178.4 | 170.4 | 0 | 0 | 110.5 | N64 W68 D69 | N64-E66 PolarHBondContact O-N 3.17Å; E66-W68 VanDerWaalsContact C-N 3.27Å; E66-W68 VanDerWaalsContact CB-CD1 3.45Å; E66-W68 PolarHBondContact O-N 2.96Å; E66-W68 VanDerWaalsContact OE2-CE2 3.24Å; E66-W68 WeakPolarHBondContact OE2-CZ2 3.48Å; E66-W68 PolarHBondContact OE2-NE1 3.18Å; E66-D69 PolarHBondContact N-OD2 3.4Å; E66-D69 VanDerWaalsContact O-CB 3.28Å; E66-D69 WeakPolarHBondContact O-CB 3.27Å; E66-D69 PolarHBondContact O-N 2.82Å | ||
| 67 | T | 94.9 | Very high | 96.6 | Very high | 59 Ų | 59 | 28.9 Ų | 28.9 | 36% | 0.362 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -57 | -38.2 | -175.4 | -50.6 | 0 | 0 | 0 | 0 | 113.4 | D69 L70 | T67-D69 PolarHBondContact O-N 3.35Å; T67-L70 HydrophobicContact CG2-CD1 4.12Å; T67-L70 VanDerWaalsContact O-CB 3.25Å; T67-L70 WeakPolarHBondContact O-CB 3.2Å; T67-L70 WeakPolarHBondContact O-CD1 3.48Å; T67-L70 WeakPolarHBondContact O-CG 3.29Å; T67-L70 PolarHBondContact O-N 2.85Å |
| 68 | W | 92.6 | Very high | 96.4 | Very high | 94 Ų | 94 | 33.2 Ų | 33.2 | 36% | 0.356 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -67 | -20.4 | 177.6 | 66.1 | -11.4 | 0 | 0 | 0 | 114.1 | E66 L70 G71 D413 | E66-W68 VanDerWaalsContact C-N 3.27Å; E66-W68 VanDerWaalsContact CB-CD1 3.45Å; E66-W68 PolarHBondContact O-N 2.96Å; E66-W68 VanDerWaalsContact OE2-CE2 3.24Å; E66-W68 WeakPolarHBondContact OE2-CZ2 3.48Å; E66-W68 PolarHBondContact OE2-NE1 3.18Å; W68-L70 PolarHBondContact O-N 2.95Å; W68-G71 PolarHBondContact O-N 3.43Å; W68-D413 HydrophobicContact CB-CB 4.25Å |
| 69 | D | 95.8 | Very high | 96.3 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -67.9 | -26.9 | 178.7 | -68.2 | -38.3 | 0 | 0 | 0 | 110.3 | E66 T67 G71 C72 N73 I76 R87 | E66-D69 PolarHBondContact N-OD2 3.4Å; E66-D69 VanDerWaalsContact O-CB 3.28Å; E66-D69 WeakPolarHBondContact O-CB 3.27Å; E66-D69 PolarHBondContact O-N 2.82Å; T67-D69 PolarHBondContact O-N 3.35Å; D69-G71 PolarHBondContact O-N 3.08Å; D69-C72 PolarHBondContact O-N 3.5Å; D69-C72 VanDerWaalsContact O-N 3.17Å; D69-N73 WeakPolarHBondContact O-CA 3.36Å; D69-N73 WeakPolarHBondContact O-CB 3.41Å; D69-N73 PolarHBondContact O-N 3.49Å; D69-I76 HydrophobicContact CB-CD1 3.79Å; D69-I76 HydrophobicContact CB-CG2 4.36Å; D69-R87 VanDerWaalsContact CG-NH2 3.31Å; D69-R87 IonicContact OD1-CZ 3.98Å; D69-R87 IonicContact OD1-NE 2.84Å; D69-R87 PolarHBondContact OD1-NE 2.95Å; D69-R87 IonicContact OD1-NH1 2.7Å; D69-R87 IonicContact OD1-NH2 3.36Å; D69-R87 PolarHBondContact OD1-NH2 3.34Å; D69-R87 IonicContact OD2-CZ 2.92Å; D69-R87 IonicContact OD2-NE 3.8Å; D69-R87 PolarHBondContact OD2-NE 3.47Å; D69-R87 IonicContact OD2-NH2 2.93Å; D69-R87 PolarHBondContact OD2-NH2 2.96Å; D69-R87 VanDerWaalsContact OD2-NH2 3.15Å |
| 70 | L | 96.2 | Very high | 96.2 | Very high | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -59.6 | -29.1 | 173.6 | -59.9 | 167.9 | 0 | 0 | 0 | 112.1 | T67 W68 I76 N78 V81 R411 | T67-L70 HydrophobicContact CG2-CD1 4.12Å; T67-L70 VanDerWaalsContact O-CB 3.25Å; T67-L70 WeakPolarHBondContact O-CB 3.2Å; T67-L70 WeakPolarHBondContact O-CD1 3.48Å; T67-L70 WeakPolarHBondContact O-CG 3.29Å; T67-L70 PolarHBondContact O-N 2.85Å; W68-L70 PolarHBondContact O-N 2.95Å; L70-I76 HydrophobicContact CD2-CG2 4.04Å; L70-I76 WeakPolarHBondContact CD2-O 3.43Å; L70-N78 WeakPolarHBondContact CD1-OD1 3.26Å; L70-V81 HydrophobicContact CD1-CG2 4.23Å; L70-V81 HydrophobicContact CD2-CG2 4.03Å; L70-V81 HydrophobicContact CG-CG2 4.01Å; L70-R411 HydrophobicContact CB-CB 3.62Å; L70-R411 HydrophobicContact CD1-CB 4.42Å; L70-R411 PolarHBondContact O-NE 3.19Å; L70-R411 PolarHBondContact O-NH2 3Å |
| 71 | G | 94.6 | Very high | 96.1 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -89.8 | -6.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | W68 D69 P357 R411 | W68-G71 PolarHBondContact O-N 3.43Å; D69-G71 PolarHBondContact O-N 3.08Å; G71-P357 WeakPolarHBondContact O-CG 3.29Å; G71-R411 WeakPolarHBondContact CA-O 3.31Å; G71-R411 PolarHBondContact N-O 2.63Å |
| 72 | C | 94 | Very high | 95.9 | Very high | 12 Ų | 12 | 45.8 Ų | 45.8 | 8% | 0.081 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135 | -13.9 | -175 | 74.4 | 0 | 0 | 0 | 0 | 114.6 | A40 D69 T355 P357 | A40-C72 VanDerWaalsContact CA-O 3.29Å; A40-C72 WeakPolarHBondContact CA-O 3.49Å; A40-C72 HydrophobicContact CB-CB 3.79Å; A40-C72 VanDerWaalsContact CB-O 3.26Å; A40-C72 WeakPolarHBondContact CB-O 3.49Å; D69-C72 PolarHBondContact O-N 3.5Å; D69-C72 VanDerWaalsContact O-N 3.17Å; C72-T355 HydrophobicContact CB-CG2 3.7Å; C72-P357 HydrophobicContact CB-CG 4.24Å |
| 73 | N | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -119.5 | 106.4 | 173.9 | -173.6 | -36.2 | 0 | 0 | 0 | 110.2 | M38 V43 D69 F75 I76 V91 | M38-N73 PolarHBondContact O-ND2 2.6Å; V43-N73 HydrophobicContact CG1-CB 4.34Å; D69-N73 WeakPolarHBondContact O-CA 3.36Å; D69-N73 WeakPolarHBondContact O-CB 3.41Å; D69-N73 PolarHBondContact O-N 3.49Å; N73-F75 PolarHBondContact O-N 3.4Å; N73-F75 VanDerWaalsContact O-N 3.08Å; N73-F75 PolarHBondContact OD1-N 3.44Å; N73-I76 HydrophobicContact CB-CB 4.4Å; N73-I76 HydrophobicContact CB-CD1 3.88Å; N73-I76 HydrophobicContact CB-CG1 4.13Å; N73-I76 PolarHBondContact O-N 2.66Å; N73-I76 VanDerWaalsContact O-N 3.15Å; N73-I76 PolarHBondContact OD1-N 2.8Å; N73-V91 WeakPolarHBondContact ND2-CG2 3.29Å | ||
| 74 | F | 97.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 1% | 0.013 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 0.4 | -175.6 | 52.7 | -94.6 | 0 | 0 | 0 | 114.9 | V43 E44 K47 K446 L450 F479 I501 | V43-F74 HydrophobicContact CB-CZ 4.46Å; V43-F74 HydrophobicContact CG1-CD1 4.16Å; V43-F74 HydrophobicContact CG1-CE1 3.67Å; V43-F74 HydrophobicContact CG1-CZ 4.04Å; V43-F74 HydrophobicContact CG2-CE1 4.3Å; V43-F74 HydrophobicContact CG2-CE2 4.03Å; V43-F74 HydrophobicContact CG2-CZ 3.85Å; E44-F74 HydrophobicContact CG-CE1 4.01Å; E44-F74 VanDerWaalsContact OE1-CE1 3.28Å; E44-F74 WeakPolarHBondContact OE1-CE1 3.31Å; K47-F74 HydrophobicContact CB-CZ 4.21Å; K47-F74 HydrophobicContact CD-CE2 4.14Å; K47-F74 HydrophobicContact CD-CZ 3.89Å; F74-K446 HydrophobicContact CB-CG 3.83Å; F74-K446 HydrophobicContact CD1-CD 3.79Å; F74-K446 HydrophobicContact CD1-CG 3.84Å; F74-K446 HydrophobicContact CE1-CD 4.28Å; F74-K446 HydrophobicContact CG-CD 4.3Å; F74-K446 HydrophobicContact CG-CG 3.82Å; F74-L450 HydrophobicContact CB-CD1 4.33Å; F74-L450 HydrophobicContact CB-CD2 4.23Å; F74-L450 HydrophobicContact CD1-CD1 4.17Å; F74-F479 AromaticContact CD2-CE2 3.94Å; F74-F479 HydrophobicContact CD2-CE2 3.94Å; F74-F479 HydrophobicContact CD2-CZ 4.37Å; F74-F479 AromaticContact CE2-CE2 3.93Å; F74-F479 HydrophobicContact CE2-CE2 3.93Å; F74-F479 HydrophobicContact CE2-CZ 4.42Å; F74-I501 HydrophobicContact CB-CD1 4.13Å; F74-I501 HydrophobicContact CB-CG1 4.29Å; F74-I501 HydrophobicContact CB-CG2 3.86Å |
| 75 | F | 97.7 | Very high | 95.7 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 6% | 0.057 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 3.3 | 172.9 | -72 | -33 | 0 | 0 | 0 | 113.6 | V43 N73 V91 R94 V95 L98 F479 | V43-F75 HydrophobicContact CG2-CB 4.37Å; V43-F75 HydrophobicContact CG2-CD2 3.52Å; V43-F75 HydrophobicContact CG2-CE2 4.22Å; V43-F75 HydrophobicContact CG2-CG 4.29Å; N73-F75 PolarHBondContact O-N 3.4Å; N73-F75 VanDerWaalsContact O-N 3.08Å; N73-F75 PolarHBondContact OD1-N 3.44Å; F75-V91 HydrophobicContact CB-CG2 4.31Å; F75-V91 HydrophobicContact CD2-CG1 4.36Å; F75-R94 HydrophobicContact CB-CB 4.11Å; F75-R94 HydrophobicContact CD1-CB 3.76Å; F75-R94 HydrophobicContact CD2-CB 4.21Å; F75-R94 HydrophobicContact CE1-CB 4.19Å; F75-R94 HydrophobicContact CG-CB 3.78Å; F75-R94 WeakPolarHBondContact O-CD 3.45Å; F75-R94 VanDerWaalsContact O-CZ 3.27Å; F75-R94 PolarHBondContact O-NE 3.46Å; F75-R94 PolarHBondContact O-NH1 3.36Å; F75-V95 HydrophobicContact CD2-CG2 3.73Å; F75-V95 HydrophobicContact CE2-CG2 3.67Å; F75-L98 HydrophobicContact CE2-CD1 4.12Å; F75-L98 HydrophobicContact CZ-CD1 4.01Å; F75-L98 HydrophobicContact CZ-CD2 4.14Å; F75-L98 HydrophobicContact CZ-CG 4.24Å; F75-F479 HydrophobicContact CZ-CD2 4.4Å |
| 76 | I | 97.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | trans | -96.9 | 129.6 | 172.2 | -67.8 | 175 | 0 | 0 | 0 | 108.6 | C65 D69 L70 N73 D80 V81 R87 A90 V91 | C65-I76 HydrophobicContact CB-CG2 4.11Å; D69-I76 HydrophobicContact CB-CD1 3.79Å; D69-I76 HydrophobicContact CB-CG2 4.36Å; L70-I76 HydrophobicContact CD2-CG2 4.04Å; L70-I76 WeakPolarHBondContact CD2-O 3.43Å; N73-I76 HydrophobicContact CB-CB 4.4Å; N73-I76 HydrophobicContact CB-CD1 3.88Å; N73-I76 HydrophobicContact CB-CG1 4.13Å; N73-I76 PolarHBondContact O-N 2.66Å; N73-I76 VanDerWaalsContact O-N 3.15Å; N73-I76 PolarHBondContact OD1-N 2.8Å; I76-D80 HydrophobicContact CG2-CB 4.28Å; I76-V81 HydrophobicContact CG2-CG2 4.15Å; I76-R87 HydrophobicContact CD1-CB 4.33Å; I76-R87 HydrophobicContact CD1-CG 4Å; I76-A90 HydrophobicContact CG1-CB 4.34Å; I76-V91 HydrophobicContact CD1-CG2 4.49Å; I76-V91 HydrophobicContact CG1-CG2 4.14Å | ||
| 77 | H | 95.6 | Very high | 95.8 | Very high | 46 Ų | 46 | 45 Ų | 45 | 21% | 0.213 | 23% | 0.226 | C | C | . | . | trans | -110.9 | 165 | 176.6 | -59.2 | -46.8 | 0 | 0 | 0 | 111.4 | E79 D80 V81 R94 D500 | H77-E79 HydrophobicContact CB-CG 4Å; H77-E79 PolarHBondContact O-N 3.4Å; H77-E79 VanDerWaalsContact O-N 3.15Å; H77-D80 PolarHBondContact N-OD2 3.26Å; H77-D80 WeakPolarHBondContact O-CB 3.41Å; H77-D80 PolarHBondContact O-N 3.04Å; H77-V81 PolarHBondContact O-N 2.79Å; H77-R94 PolarHBondContact CD2-NE 3.5Å; H77-R94 PolarHBondContact CD2-NH2 2.91Å; H77-R94 PolarHBondContact NE2-NE 2.88Å; H77-D500 PolarHBondContact CE1-O 2.69Å; H77-D500 PolarHBondContact ND1-O 3.33Å | ||
| 78 | N | 94.8 | Very high | 96 | Very high | 91 Ų | 91 | 42.2 Ų | 42.2 | 49% | 0.487 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -53.7 | -36.7 | 179.8 | -80.7 | -41.2 | 0 | 0 | 0 | 112.6 | L70 D80 V81 L82 | L70-N78 WeakPolarHBondContact CD1-OD1 3.26Å; N78-D80 VanDerWaalsContact C-N 3.31Å; N78-D80 PolarHBondContact O-N 3.12Å; N78-V81 PolarHBondContact O-N 3.34Å; N78-L82 VanDerWaalsContact O-CG 3.29Å; N78-L82 WeakPolarHBondContact O-CG 3.35Å; N78-L82 PolarHBondContact O-N 3.21Å |
| 79 | E | 96 | Very high | 96.2 | Very high | 121 Ų | 121 | 41 Ų | 41 | 57% | 0.565 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -61.6 | -35.2 | 177.2 | 59.1 | 178.4 | -173.3 | 0 | 0 | 113.3 | H77 L82 S83 R94 | H77-E79 HydrophobicContact CB-CG 4Å; H77-E79 PolarHBondContact O-N 3.4Å; H77-E79 VanDerWaalsContact O-N 3.15Å; E79-L82 PolarHBondContact O-N 3.16Å; E79-S83 VanDerWaalsContact O-CB 3.27Å; E79-S83 WeakPolarHBondContact O-CB 3.33Å; E79-S83 PolarHBondContact O-N 3.29Å; E79-S83 PolarHBondContact O-OG 3.19Å; E79-R94 IonicContact OE1-NH2 3.53Å; E79-R94 PolarHBondContact OE1-NH2 3.13Å |
| 80 | D | 96.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.6 | -36.2 | 180 | -61.4 | -61.6 | 0 | 0 | 0 | 110.7 | C65 I76 H77 N78 S83 H84 R85 A90 R94 | C65-D80 HydrophobicContact CB-CB 4.35Å; I76-D80 HydrophobicContact CG2-CB 4.28Å; H77-D80 PolarHBondContact N-OD2 3.26Å; H77-D80 WeakPolarHBondContact O-CB 3.41Å; H77-D80 PolarHBondContact O-N 3.04Å; N78-D80 VanDerWaalsContact C-N 3.31Å; N78-D80 PolarHBondContact O-N 3.12Å; D80-S83 WeakPolarHBondContact CA-OG 3.18Å; D80-S83 PolarHBondContact O-OG 2.95Å; D80-H84 PolarHBondContact O-N 3.05Å; D80-R85 HydrophobicContact CB-CB 4.34Å; D80-R85 PolarHBondContact O-N 3.05Å; D80-R85 WeakPolarHBondContact OD1-CD 3.43Å; D80-R85 IonicContact OD1-NH1 2.7Å; D80-R85 PolarHBondContact OD1-NH1 3.3Å; D80-A90 HydrophobicContact CB-CB 3.91Å; D80-R94 IonicContact OD1-NH1 2.7Å; D80-R94 IonicContact OD1-NH2 3.25Å; D80-R94 IonicContact OD2-CZ 2.65Å; D80-R94 VanDerWaalsContact OD2-CZ 3.29Å; D80-R94 IonicContact OD2-NH1 3.84Å; D80-R94 PolarHBondContact OD2-NH1 2.93Å; D80-R94 IonicContact OD2-NH2 2.92Å; D80-R94 PolarHBondContact OD2-NH2 2.91Å |
| 81 | V | 96.1 | Very high | 96.3 | Very high | 18 Ų | 18 | 40.6 Ų | 40.6 | 11% | 0.109 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.2 | -48.4 | 174.2 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | C65 L70 I76 H77 N78 S83 H84 | C65-V81 HydrophobicContact CB-CG2 4.06Å; L70-V81 HydrophobicContact CD1-CG2 4.23Å; L70-V81 HydrophobicContact CD2-CG2 4.03Å; L70-V81 HydrophobicContact CG-CG2 4.01Å; I76-V81 HydrophobicContact CG2-CG2 4.15Å; H77-V81 PolarHBondContact O-N 2.79Å; N78-V81 PolarHBondContact O-N 3.34Å; V81-S83 VanDerWaalsContact C-N 3.27Å; V81-S83 PolarHBondContact O-N 3.39Å; V81-H84 PolarHBondContact O-N 3.44Å; V81-H84 VanDerWaalsContact O-N 3.09Å |
| 82 | L | 95.1 | Very high | 96.5 | Very high | 145 Ų | 145 | 41 Ų | 41 | 76% | 0.759 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -64.2 | -32 | -179.7 | -69.7 | 173 | 0 | 0 | 0 | 112.9 | N78 E79 H84 | N78-L82 VanDerWaalsContact O-CG 3.29Å; N78-L82 WeakPolarHBondContact O-CG 3.35Å; N78-L82 PolarHBondContact O-N 3.21Å; E79-L82 PolarHBondContact O-N 3.16Å; L82-H84 VanDerWaalsContact C-N 3.32Å |
| 83 | S | 95.2 | Very high | 96.7 | Very high | 76 Ų | 76 | 43.1 Ų | 43.1 | 53% | 0.531 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 0.5 | 176.5 | 59.2 | 0 | 0 | 0 | 0 | 113.8 | E79 D80 V81 R85 | E79-S83 VanDerWaalsContact O-CB 3.27Å; E79-S83 WeakPolarHBondContact O-CB 3.33Å; E79-S83 PolarHBondContact O-N 3.29Å; E79-S83 PolarHBondContact O-OG 3.19Å; D80-S83 WeakPolarHBondContact CA-OG 3.18Å; D80-S83 PolarHBondContact O-OG 2.95Å; V81-S83 VanDerWaalsContact C-N 3.27Å; V81-S83 PolarHBondContact O-N 3.39Å; S83-R85 PolarHBondContact O-N 3.13Å |
| 84 | H | 93.6 | Very high | 96.6 | Very high | 143 Ų | 143 | 44.7 Ų | 44.7 | 66% | 0.662 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 36.6 | -176.4 | -62.8 | -71.6 | 0 | 0 | 0 | 113.4 | D80 V81 L82 | D80-H84 PolarHBondContact O-N 3.05Å; V81-H84 PolarHBondContact O-N 3.44Å; V81-H84 VanDerWaalsContact O-N 3.09Å; L82-H84 VanDerWaalsContact C-N 3.32Å |
| 85 | R | 96.1 | Very high | 96.7 | Very high | 88 Ų | 88 | 44.6 Ų | 44.6 | 33% | 0.332 | 23% | 0.226 | S | C | . | . | trans | -66.5 | 149.8 | 178.5 | -164.3 | 172.4 | -171.6 | -175.3 | -0.4 | 110.1 | C65 D80 S83 E89 | C65-R85 PolarHBondContact N-O 2.94Å; C65-R85 PolarHBondContact SG-O 2.96Å; C65-R85 VanDerWaalsContact SG-O 3.4Å; D80-R85 HydrophobicContact CB-CB 4.34Å; D80-R85 PolarHBondContact O-N 3.05Å; D80-R85 WeakPolarHBondContact OD1-CD 3.43Å; D80-R85 IonicContact OD1-NH1 2.7Å; D80-R85 PolarHBondContact OD1-NH1 3.3Å; S83-R85 PolarHBondContact O-N 3.13Å; R85-E89 HydrophobicContact CG-CB 3.77Å; R85-E89 PolarHBondContact NE-O 3.25Å; R85-E89 PolarHBondContact NH2-O 2.94Å | ||
| 86 | S | 97.1 | Very high | 96.7 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -67.7 | 148.6 | 169.5 | 69.5 | 0 | 0 | 0 | 0 | 110.7 | V88 E89 A90 | S86-V88 VanDerWaalsContact C-N 3.26Å; S86-V88 PolarHBondContact O-N 3.1Å; S86-E89 WeakPolarHBondContact CB-OE2 3.45Å; S86-E89 PolarHBondContact N-OE2 3.42Å; S86-E89 PolarHBondContact O-N 2.92Å; S86-E89 VanDerWaalsContact OG-CB 3.31Å; S86-E89 WeakPolarHBondContact OG-CB 3.25Å; S86-E89 WeakPolarHBondContact OG-CG 3.48Å; S86-E89 PolarHBondContact OG-N 3.4Å; S86-E89 PolarHBondContact OG-OE2 3.26Å; S86-A90 PolarHBondContact O-N 2.95Å; S86-A90 VanDerWaalsContact O-N 3.08Å |
| 87 | R | 97.8 | Very high | 96.6 | Very high | 9 Ų | 9 | 50.4 Ų | 50.4 | 3% | 0.034 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.1 | -43.3 | 179.7 | -69.4 | -176.4 | -177.3 | 172.1 | -3.1 | 111.6 | M38 D61 K63 D69 I76 A90 V91 E130 | M38-R87 HydrophobicContact CB-CB 4.14Å; D61-R87 HydrophobicContact CB-CB 4.42Å; D61-R87 WeakPolarHBondContact OD2-CD 3.15Å; K63-R87 HydrophobicContact CB-CG 4.48Å; K63-R87 PolarHBondContact O-N 3.16Å; D69-R87 VanDerWaalsContact CG-NH2 3.31Å; D69-R87 IonicContact OD1-CZ 3.98Å; D69-R87 IonicContact OD1-NE 2.84Å; D69-R87 PolarHBondContact OD1-NE 2.95Å; D69-R87 IonicContact OD1-NH1 2.7Å; D69-R87 IonicContact OD1-NH2 3.36Å; D69-R87 PolarHBondContact OD1-NH2 3.34Å; D69-R87 IonicContact OD2-CZ 2.92Å; D69-R87 IonicContact OD2-NE 3.8Å; D69-R87 PolarHBondContact OD2-NE 3.47Å; D69-R87 IonicContact OD2-NH2 2.93Å; D69-R87 PolarHBondContact OD2-NH2 2.96Å; D69-R87 VanDerWaalsContact OD2-NH2 3.15Å; I76-R87 HydrophobicContact CD1-CB 4.33Å; I76-R87 HydrophobicContact CD1-CG 4Å; R87-A90 PolarHBondContact O-N 3.3Å; R87-V91 WeakPolarHBondContact O-CB 3.37Å; R87-V91 VanDerWaalsContact O-CG2 3.24Å; R87-V91 WeakPolarHBondContact O-CG2 3.45Å; R87-V91 PolarHBondContact O-N 2.71Å; R87-E130 IonicContact NH1-OE1 3.89Å; R87-E130 PolarHBondContact NH1-OE1 2.96Å; R87-E130 IonicContact NH1-OE2 2.9Å |
| 88 | V | 98 | Very high | 96.7 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.4 | -40.1 | -179.2 | 70.7 | 0 | 0 | 0 | 0 | 112.2 | M38 L59 D61 S86 A90 V91 C92 M106 | M38-V88 HydrophobicContact CG-CB 4.27Å; M38-V88 HydrophobicContact CG-CG2 4.3Å; L59-V88 HydrophobicContact CB-CG2 3.76Å; L59-V88 WeakPolarHBondContact O-CG2 3.3Å; D61-V88 HydrophobicContact CB-CB 3.95Å; D61-V88 WeakPolarHBondContact O-CG1 3.29Å; S86-V88 VanDerWaalsContact C-N 3.26Å; S86-V88 PolarHBondContact O-N 3.1Å; V88-A90 VanDerWaalsContact C-N 3.33Å; V88-A90 PolarHBondContact O-N 3.04Å; V88-V91 PolarHBondContact O-N 2.96Å; V88-C92 WeakPolarHBondContact O-CB 3.45Å; V88-C92 PolarHBondContact O-N 3.06Å; V88-M106 HydrophobicContact CG2-CB 3.72Å |
| 89 | E | 97.4 | Very high | 96.8 | Very high | 68 Ų | 68 | 44.8 Ų | 44.8 | 32% | 0.318 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.8 | -35.7 | 177.2 | -72.9 | 165.8 | 152 | 0 | 0 | 111.9 | R85 S86 P93 M106 | R85-E89 HydrophobicContact CG-CB 3.77Å; R85-E89 PolarHBondContact NE-O 3.25Å; R85-E89 PolarHBondContact NH2-O 2.94Å; S86-E89 WeakPolarHBondContact CB-OE2 3.45Å; S86-E89 PolarHBondContact N-OE2 3.42Å; S86-E89 PolarHBondContact O-N 2.92Å; S86-E89 VanDerWaalsContact OG-CB 3.31Å; S86-E89 WeakPolarHBondContact OG-CB 3.25Å; S86-E89 WeakPolarHBondContact OG-CG 3.48Å; S86-E89 PolarHBondContact OG-N 3.4Å; S86-E89 PolarHBondContact OG-OE2 3.26Å; E89-P93 VanDerWaalsContact O-CD 3.26Å; E89-P93 WeakPolarHBondContact O-CD 3.48Å; E89-M106 HydrophobicContact CB-SD 4.36Å; E89-M106 HydrophobicContact CG-CE 4.06Å; E89-M106 HydrophobicContact CG-SD 3.9Å |
| 90 | A | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.8 | -47 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I76 D80 S86 R87 V88 R94 | I76-A90 HydrophobicContact CG1-CB 4.34Å; D80-A90 HydrophobicContact CB-CB 3.91Å; S86-A90 PolarHBondContact O-N 2.95Å; S86-A90 VanDerWaalsContact O-N 3.08Å; R87-A90 PolarHBondContact O-N 3.3Å; V88-A90 VanDerWaalsContact C-N 3.33Å; V88-A90 PolarHBondContact O-N 3.04Å; A90-R94 PolarHBondContact O-NH1 2.95Å |
| 91 | V | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -75.4 | -39.4 | -172.9 | 170.9 | 0 | 0 | 0 | 0 | 112.8 | M38 V43 L59 N73 F75 I76 R87 V88 R94 V95 | M38-V91 HydrophobicContact SD-CG1 4.14Å; V43-V91 HydrophobicContact CG2-CG1 4.07Å; L59-V91 HydrophobicContact CD1-CG1 4.38Å; N73-V91 WeakPolarHBondContact ND2-CG2 3.29Å; F75-V91 HydrophobicContact CB-CG2 4.31Å; F75-V91 HydrophobicContact CD2-CG1 4.36Å; I76-V91 HydrophobicContact CD1-CG2 4.49Å; I76-V91 HydrophobicContact CG1-CG2 4.14Å; R87-V91 WeakPolarHBondContact O-CB 3.37Å; R87-V91 VanDerWaalsContact O-CG2 3.24Å; R87-V91 WeakPolarHBondContact O-CG2 3.45Å; R87-V91 PolarHBondContact O-N 2.71Å; V88-V91 PolarHBondContact O-N 2.96Å; V91-R94 PolarHBondContact O-N 3.32Å; V91-R94 VanDerWaalsContact O-N 3.15Å; V91-V95 HydrophobicContact CG1-CG2 3.47Å; V91-V95 VanDerWaalsContact CG1-CG2 3.47Å; V91-V95 PolarHBondContact O-N 3.08Å |
| 92 | C | 98.1 | Very high | 96.6 | Very high | 13 Ų | 13 | 49.2 Ų | 49.2 | 9% | 0.088 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -50 | -52.9 | -172.3 | -174.3 | 0 | 0 | 0 | 0 | 115.3 | L59 V88 R94 V95 A96 M106 | L59-C92 HydrophobicContact CD1-CB 4.34Å; V88-C92 WeakPolarHBondContact O-CB 3.45Å; V88-C92 PolarHBondContact O-N 3.06Å; C92-R94 VanDerWaalsContact C-N 3.32Å; C92-R94 PolarHBondContact O-N 3.13Å; C92-V95 PolarHBondContact O-N 3.05Å; C92-A96 WeakPolarHBondContact O-CB 3.3Å; C92-A96 PolarHBondContact O-N 3.09Å; C92-M106 HydrophobicContact CB-CB 4.11Å; C92-M106 HydrophobicContact CB-CG 4.48Å; C92-M106 HydrophobicContact CB-SD 4.05Å |
| 93 | P | 97.5 | Very high | 96.8 | Very high | 56 Ų | 56 | 47.7 Ų | 47.7 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.2 | -38.8 | -178.7 | 23.9 | -33.7 | 0 | 0 | 0 | 112.4 | E89 V95 A96 D97 | E89-P93 VanDerWaalsContact O-CD 3.26Å; E89-P93 WeakPolarHBondContact O-CD 3.48Å; P93-V95 PolarHBondContact O-N 2.89Å; P93-A96 PolarHBondContact O-N 3.2Å; P93-D97 PolarHBondContact O-N 3.41Å |
| 94 | R | 96.8 | Very high | 96.9 | Very high | 34 Ų | 34 | 45.1 Ų | 45.1 | 13% | 0.128 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.9 | -33.6 | -177.8 | -63.6 | 170.5 | -176.3 | 117.7 | 6.1 | 112 | F75 H77 E79 D80 A90 V91 C92 | F75-R94 HydrophobicContact CB-CB 4.11Å; F75-R94 HydrophobicContact CD1-CB 3.76Å; F75-R94 HydrophobicContact CD2-CB 4.21Å; F75-R94 HydrophobicContact CE1-CB 4.19Å; F75-R94 HydrophobicContact CG-CB 3.78Å; F75-R94 WeakPolarHBondContact O-CD 3.45Å; F75-R94 VanDerWaalsContact O-CZ 3.27Å; F75-R94 PolarHBondContact O-NE 3.46Å; F75-R94 PolarHBondContact O-NH1 3.36Å; H77-R94 PolarHBondContact CD2-NE 3.5Å; H77-R94 PolarHBondContact CD2-NH2 2.91Å; H77-R94 PolarHBondContact NE2-NE 2.88Å; E79-R94 IonicContact OE1-NH2 3.53Å; E79-R94 PolarHBondContact OE1-NH2 3.13Å; D80-R94 IonicContact OD1-NH1 2.7Å; D80-R94 IonicContact OD1-NH2 3.25Å; D80-R94 IonicContact OD2-CZ 2.65Å; D80-R94 VanDerWaalsContact OD2-CZ 3.29Å; D80-R94 IonicContact OD2-NH1 3.84Å; D80-R94 PolarHBondContact OD2-NH1 2.93Å; D80-R94 IonicContact OD2-NH2 2.92Å; D80-R94 PolarHBondContact OD2-NH2 2.91Å; A90-R94 PolarHBondContact O-NH1 2.95Å; V91-R94 PolarHBondContact O-N 3.32Å; V91-R94 VanDerWaalsContact O-N 3.15Å; C92-R94 VanDerWaalsContact C-N 3.32Å; C92-R94 PolarHBondContact O-N 3.13Å |
| 95 | V | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.8 | -43.6 | 171.2 | 170.9 | 0 | 0 | 0 | 0 | 111 | A46 V50 L59 F75 V91 C92 P93 D97 L98 V104 | A46-V95 HydrophobicContact CB-CG1 4.32Å; A46-V95 HydrophobicContact CB-CG2 4.26Å; V50-V95 HydrophobicContact CB-CG1 4.19Å; V50-V95 HydrophobicContact CG1-CG1 4.42Å; V50-V95 HydrophobicContact CG2-CG1 3.61Å; L59-V95 HydrophobicContact CD1-CB 4.19Å; L59-V95 HydrophobicContact CD1-CG1 4.19Å; L59-V95 HydrophobicContact CD1-CG2 4.31Å; F75-V95 HydrophobicContact CD2-CG2 3.73Å; F75-V95 HydrophobicContact CE2-CG2 3.67Å; V91-V95 HydrophobicContact CG1-CG2 3.47Å; V91-V95 VanDerWaalsContact CG1-CG2 3.47Å; V91-V95 PolarHBondContact O-N 3.08Å; C92-V95 PolarHBondContact O-N 3.05Å; P93-V95 PolarHBondContact O-N 2.89Å; V95-D97 VanDerWaalsContact C-N 3.25Å; V95-D97 PolarHBondContact O-N 2.94Å; V95-L98 VanDerWaalsContact O-CB 3.27Å; V95-L98 WeakPolarHBondContact O-CB 3.32Å; V95-L98 WeakPolarHBondContact O-CG 3.35Å; V95-L98 PolarHBondContact O-N 3.22Å; V95-L98 VanDerWaalsContact O-N 3.11Å; V95-V104 HydrophobicContact CG1-CG1 4.15Å; V95-V104 HydrophobicContact CG1-CG2 4.3Å |
| 96 | A | 97.9 | Very high | 97.2 | Very high | 32 Ų | 32 | 41.5 Ų | 41.5 | 26% | 0.264 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.3 | -38.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | C92 P93 L98 N99 V104 | C92-A96 WeakPolarHBondContact O-CB 3.3Å; C92-A96 PolarHBondContact O-N 3.09Å; P93-A96 PolarHBondContact O-N 3.2Å; A96-L98 PolarHBondContact O-N 3.34Å; A96-L98 VanDerWaalsContact O-N 3.16Å; A96-N99 PolarHBondContact O-N 3.48Å; A96-V104 HydrophobicContact CB-CB 3.98Å; A96-V104 HydrophobicContact CB-CG2 4.13Å |
| 97 | D | 96.7 | Very high | 97.2 | Very high | 105 Ų | 105 | 42.5 Ų | 42.5 | 56% | 0.561 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -14.3 | 178.5 | -74.9 | -12.3 | 0 | 0 | 0 | 114.6 | P93 V95 R482 | P93-D97 PolarHBondContact O-N 3.41Å; V95-D97 VanDerWaalsContact C-N 3.25Å; V95-D97 PolarHBondContact O-N 2.94Å; D97-R482 WeakPolarHBondContact O-CD 3.47Å; D97-R482 PolarHBondContact O-NE 2.97Å |
| 98 | L | 97.3 | Very high | 97 | Very high | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -34.6 | 177.3 | -66.4 | 177.3 | 0 | 0 | 0 | 112.2 | K47 V50 L51 F75 V95 A96 F479 | K47-L98 HydrophobicContact CB-CD1 4.04Å; K47-L98 HydrophobicContact CG-CD1 3.94Å; V50-L98 HydrophobicContact CG1-CB 4.06Å; L51-L98 HydrophobicContact CD2-CB 4.1Å; L51-L98 HydrophobicContact CG-CB 4.45Å; L51-L98 HydrophobicContact CG-CD1 4.46Å; F75-L98 HydrophobicContact CE2-CD1 4.12Å; F75-L98 HydrophobicContact CZ-CD1 4.01Å; F75-L98 HydrophobicContact CZ-CD2 4.14Å; F75-L98 HydrophobicContact CZ-CG 4.24Å; V95-L98 VanDerWaalsContact O-CB 3.27Å; V95-L98 WeakPolarHBondContact O-CB 3.32Å; V95-L98 WeakPolarHBondContact O-CG 3.35Å; V95-L98 PolarHBondContact O-N 3.22Å; V95-L98 VanDerWaalsContact O-N 3.11Å; A96-L98 PolarHBondContact O-N 3.34Å; A96-L98 VanDerWaalsContact O-N 3.16Å; L98-F479 HydrophobicContact CD2-CB 3.97Å; L98-F479 HydrophobicContact CD2-CD2 4.29Å |
| 99 | N | 96.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | trans | -151.5 | 107.6 | -176.6 | -166.2 | -15.2 | 0 | 0 | 0 | 112.5 | Y13 V50 A96 Y101 V102 | Y13-N99 PolarHBondContact OH-ND2 3.47Å; V50-N99 HydrophobicContact CG1-CB 3.71Å; V50-N99 VanDerWaalsContact O-CB 3.31Å; V50-N99 WeakPolarHBondContact O-CB 3.5Å; V50-N99 PolarHBondContact O-ND2 3.19Å; A96-N99 PolarHBondContact O-N 3.48Å; N99-Y101 PolarHBondContact O-N 3.08Å; N99-Y101 VanDerWaalsContact O-N 3.12Å; N99-Y101 WeakPolarHBondContact OD1-CB 3.44Å; N99-Y101 WeakPolarHBondContact OD1-CD2 3.21Å; N99-Y101 PolarHBondContact OD1-N 3.45Å; N99-Y101 VanDerWaalsContact OD1-N 3.11Å; N99-V102 HydrophobicContact CB-CG2 4.01Å; N99-V102 PolarHBondContact O-N 3.44Å; N99-V102 VanDerWaalsContact O-N 3.15Å | ||
| 100 | P | 92.8 | Very high | 96.5 | Very high | 106 Ų | 106 | 51.8 Ų | 51.8 | 69% | 0.688 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -13.3 | -178 | 29.6 | -36.3 | 0 | 0 | 0 | 114 | V102 | P100-V102 VanDerWaalsContact C-N 3.34Š|
| 101 | Y | 94.6 | Very high | 96.3 | Very high | 119 Ų | 119 | 52.8 Ų | 52.8 | 47% | 0.467 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -11.5 | 177 | -62.8 | -66.6 | 0 | 0 | 0 | 113.6 | D9 L12 Y13 N99 | D9-Y101 HydrophobicContact CB-CE2 4.04Å; D9-Y101 PolarHBondContact OD2-OH 3Å; L12-Y101 HydrophobicContact CD2-CD2 3.78Å; L12-Y101 HydrophobicContact CD2-CE2 3.68Å; Y13-Y101 HydrophobicContact CE2-CD2 4.22Å; N99-Y101 PolarHBondContact O-N 3.08Å; N99-Y101 VanDerWaalsContact O-N 3.12Å; N99-Y101 WeakPolarHBondContact OD1-CB 3.44Å; N99-Y101 WeakPolarHBondContact OD1-CD2 3.21Å; N99-Y101 PolarHBondContact OD1-N 3.45Å; N99-Y101 VanDerWaalsContact OD1-N 3.11Å |
| 102 | V | 97.3 | Very high | 95.9 | Very high | 9 Ų | 9 | 56.2 Ų | 56.2 | 6% | 0.055 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -105.3 | 124.3 | -177 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | V50 V54 V57 N99 P100 V104 | V50-V102 HydrophobicContact CG1-CB 4.14Å; V50-V102 HydrophobicContact CG1-CG1 4.41Å; V50-V102 HydrophobicContact CG1-CG2 4.3Å; V50-V102 HydrophobicContact CG2-CG1 4.18Å; V50-V102 WeakPolarHBondContact O-CG2 3.47Å; V54-V102 HydrophobicContact CG2-CG1 3.94Å; V54-V102 WeakPolarHBondContact O-CG1 3.23Å; V54-V102 WeakPolarHBondContact O-CG2 3.35Å; V57-V102 HydrophobicContact CG2-CG1 4.18Å; N99-V102 HydrophobicContact CB-CG2 4.01Å; N99-V102 PolarHBondContact O-N 3.44Å; N99-V102 VanDerWaalsContact O-N 3.15Å; P100-V102 VanDerWaalsContact C-N 3.34Å; V102-V104 HydrophobicContact CG1-CG2 4.28Å; V102-V104 PolarHBondContact O-N 3.3Å |
| 103 | Q | 98.1 | Very high | 95.3 | Very high | 113 Ų | 113 | 59.2 Ų | 59.2 | 53% | 0.528 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 119.3 | 170.7 | 179.3 | -179.4 | -10.4 | 0 | 0 | 109.7 | K55 S56 V57 D105 | K55-Q103 PolarHBondContact O-N 3.46Å; S56-Q103 CarbonylContact C-O 3.57Å; S56-Q103 WeakPolarHBondContact CA-O 3.28Å; S56-Q103 VanDerWaalsContact CB-O 3.29Å; S56-Q103 WeakPolarHBondContact CB-O 3.43Å; V57-Q103 PolarHBondContact N-O 2.86Å; Q103-D105 PolarHBondContact NE2-OD1 3.03Å; Q103-D105 PolarHBondContact NE2-OD2 3.02Å |
| 104 | V | 98.6 | Very high | 94.8 | Very high | 22 Ų | 22 | 63.4 Ų | 63.4 | 13% | 0.133 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 111.8 | 176.5 | -174 | 0 | 0 | 0 | 0 | 109.1 | V50 V57 L59 V95 A96 V102 | V50-V104 HydrophobicContact CG1-CG2 4.42Å; V50-V104 HydrophobicContact CG2-CG2 4Å; V57-V104 CarbonylContact O-C 3.58Å; V57-V104 WeakPolarHBondContact O-CA 3.17Å; L59-V104 HydrophobicContact CD1-CG1 3.71Å; L59-V104 HydrophobicContact CG-CG1 3.97Å; V95-V104 HydrophobicContact CG1-CG1 4.15Å; V95-V104 HydrophobicContact CG1-CG2 4.3Å; A96-V104 HydrophobicContact CB-CB 3.98Å; A96-V104 HydrophobicContact CB-CG2 4.13Å; V102-V104 HydrophobicContact CG1-CG2 4.28Å; V102-V104 PolarHBondContact O-N 3.3Å |
| 105 | D | 98.1 | Very high | 94.6 | Very high | 55 Ų | 55 | 63.2 Ų | 63.2 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 160 | 175.7 | -56.8 | -54.4 | 0 | 0 | 0 | 110 | V57 T58 L59 Q103 | V57-D105 PolarHBondContact O-N 3.44Å; T58-D105 CarbonylContact C-O 3.56Å; T58-D105 WeakPolarHBondContact CA-O 3.28Å; T58-D105 HydrophobicContact CG2-CB 4.35Å; L59-D105 PolarHBondContact N-O 3.39Å; Q103-D105 PolarHBondContact NE2-OD1 3.03Å; Q103-D105 PolarHBondContact NE2-OD2 3.02Å |
| 106 | M | 97.1 | Very high | 94.5 | Very high | 100 Ų | 100 | 68.5 Ų | 68.5 | 49% | 0.493 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 150.3 | 174.8 | 61.1 | 177.4 | -170.6 | 0 | 0 | 112.6 | L59 V88 E89 C92 | L59-M106 CarbonylContact O-C 3.59Å; L59-M106 VanDerWaalsContact O-CA 3.3Å; L59-M106 WeakPolarHBondContact O-CA 3.22Å; V88-M106 HydrophobicContact CG2-CB 3.72Å; E89-M106 HydrophobicContact CB-SD 4.36Å; E89-M106 HydrophobicContact CG-CE 4.06Å; E89-M106 HydrophobicContact CG-SD 3.9Å; C92-M106 HydrophobicContact CB-CB 4.11Å; C92-M106 HydrophobicContact CB-CG 4.48Å; C92-M106 HydrophobicContact CB-SD 4.05Å |
| 107 | S | 96.6 | Very high | 94.4 | Very high | 31 Ų | 31 | 67.3 Ų | 67.3 | 22% | 0.217 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 129.2 | 170.5 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | L59 H60 D61 L109 | L59-S107 PolarHBondContact O-N 3.48Å; H60-S107 VanDerWaalsContact CA-O 3.27Å; H60-S107 WeakPolarHBondContact CA-O 3.49Å; H60-S107 PolarHBondContact CD2-O 3.39Å; H60-S107 VanDerWaalsContact CD2-O 3.29Å; D61-S107 PolarHBondContact N-O 2.95Å; S107-L109 PolarHBondContact OG-N 3.44Å |
| 108 | S | 94.3 | Very high | 94.4 | Very high | 62 Ų | 62 | 64.7 Ų | 64.7 | 43% | 0.434 | 36% | 0.356 | S | S | . | . | trans | -109.2 | 7.8 | 170.9 | 54.5 | 0 | 0 | 0 | 0 | 112.8 | D61 | D61-S108 WeakPolarHBondContact O-CA 3.42Š| ||
| 109 | L | 93.4 | Very high | 94.4 | Very high | 126 Ų | 126 | 67.2 Ų | 67.2 | 66% | 0.66 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -69.7 | 129.8 | 176.9 | -65 | 178.6 | 0 | 0 | 0 | 110.2 | H60 S107 V111 | H60-L109 PolarHBondContact CD2-O 3.25Å; H60-L109 PolarHBondContact NE2-O 3.27Å; S107-L109 PolarHBondContact OG-N 3.44Å; L109-V111 PolarHBondContact O-N 2.95Å |
| 110 | P | 92.8 | Very high | 94.5 | Very high | 86 Ų | 86 | 67.1 Ų | 67.1 | 56% | 0.558 | 37% | 0.366 | S | S | * | . | trans | -55.2 | 133.3 | 178.1 | -25.5 | 33.9 | 0 | 0 | 0 | 112.6 | T62 T115 | T62-P110 HydrophobicContact CG2-CB 4.45Å; T62-P110 HydrophobicContact CG2-CG 4.45Å; P110-T115 PolarHBondContact O-OG1 3.41Å | ||
| 111 | V | 92.8 | Very high | 94.7 | Very high | 21 Ų | 21 | 69.8 Ų | 69.8 | 13% | 0.127 | 36% | 0.362 | C | S | . | . | trans | -112.4 | 105.8 | 167.9 | -179.1 | 0 | 0 | 0 | 0 | 107.2 | L109 F119 L135 I139 | L109-V111 PolarHBondContact O-N 2.95Å; V111-F119 HydrophobicContact CG2-CZ 4.07Å; V111-L135 HydrophobicContact CG1-CD1 4.38Å; V111-L135 HydrophobicContact CG1-CD2 4.5Å; V111-L135 VanDerWaalsContact O-CD2 3.23Å; V111-L135 WeakPolarHBondContact O-CD2 3.43Å; V111-I139 HydrophobicContact CG1-CD1 4Å | ||
| 112 | D | 88.8 | Confident | 94.8 | Very high | 71 Ų | 71 | 70.2 Ų | 70.2 | 38% | 0.38 | 37% | 0.367 | S | S | . | . | trans | -126.1 | -174.3 | -176 | 68.3 | 14.1 | 0 | 0 | 0 | 111.9 | N114 T115 R138 | D112-N114 PolarHBondContact O-N 3.29Å; D112-N114 VanDerWaalsContact O-N 3.16Å; D112-N114 WeakPolarHBondContact OD1-CA 3.42Å; D112-N114 PolarHBondContact OD1-N 2.75Å; D112-T115 PolarHBondContact N-OG1 3.12Å; D112-T115 PolarHBondContact O-N 3.26Å; D112-T115 PolarHBondContact OD1-N 3.14Å; D112-T115 PolarHBondContact OD1-OG1 3.26Å; D112-R138 PolarHBondContact O-NH1 3.06Å | ||
| 113 | D | 85.1 | Confident | 94.9 | Very high | 76 Ų | 76 | 70.2 Ų | 70.2 | 41% | 0.406 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -13.7 | -179.4 | -67.6 | -35 | 0 | 0 | 0 | 113.9 | R138 | D113-R138 PolarHBondContact O-NE 2.64Å; D113-R138 VanDerWaalsContact O-NE 3.09Å; D113-R138 PolarHBondContact O-NH1 3.02Å; D113-R138 PolarHBondContact O-NH2 3.41Å |
| 114 | N | 87.8 | Confident | 94.9 | Very high | 144 Ų | 144 | 68 Ų | 68 | 77% | 0.77 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -13.1 | -179.5 | -61.4 | -54.6 | 0 | 0 | 0 | 113.5 | D112 | D112-N114 PolarHBondContact O-N 3.29Å; D112-N114 VanDerWaalsContact O-N 3.16Å; D112-N114 WeakPolarHBondContact OD1-CA 3.42Å; D112-N114 PolarHBondContact OD1-N 2.75Å |
| 115 | T | 92.9 | Very high | 94.9 | Very high | 30 Ų | 30 | 67 Ų | 67 | 18% | 0.184 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -62.9 | 133.5 | -176.4 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | P110 D112 L117 F119 R138 | P110-T115 PolarHBondContact O-OG1 3.41Å; D112-T115 PolarHBondContact N-OG1 3.12Å; D112-T115 PolarHBondContact O-N 3.26Å; D112-T115 PolarHBondContact OD1-N 3.14Å; D112-T115 PolarHBondContact OD1-OG1 3.26Å; T115-L117 PolarHBondContact O-N 2.95Å; T115-F119 HydrophobicContact CG2-CE1 4.22Å; T115-R138 VanDerWaalsContact O-CZ 3.29Å; T115-R138 PolarHBondContact O-NH1 3.15Å; T115-R138 PolarHBondContact O-NH2 3.1Å |
| 116 | D | 94.8 | Very high | 94.9 | Very high | 112 Ų | 112 | 64.4 Ų | 64.4 | 60% | 0.599 | 34% | 0.335 | S | S | * | . | trans | -67.2 | 120.1 | 171.7 | 175.8 | 19.3 | 0 | 0 | 0 | 110 | S118 F119 | D116-S118 VanDerWaalsContact C-N 3.27Å; D116-S118 VanDerWaalsContact CG-OG 3.26Å; D116-S118 PolarHBondContact O-N 3.04Å; D116-S118 WeakPolarHBondContact OD1-CB 3.16Å; D116-S118 PolarHBondContact OD1-N 2.83Å; D116-S118 PolarHBondContact OD1-OG 2.97Å; D116-S118 WeakPolarHBondContact OD2-CB 3.14Å; D116-S118 PolarHBondContact OD2-OG 2.66Å; D116-F119 VanDerWaalsContact O-CD1 3.24Å; D116-F119 WeakPolarHBondContact O-CD1 3.44Å | ||
| 117 | L | 97.1 | Very high | 95 | Very high | 7 Ų | 7 | 59.6 Ų | 59.6 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -83.6 | 0.4 | -175.9 | -59.3 | -176.9 | 0 | 0 | 0 | 113.3 | T115 F119 L120 R138 I139 F142 | T115-L117 PolarHBondContact O-N 2.95Å; L117-F119 PolarHBondContact O-N 3.37Å; L117-F119 VanDerWaalsContact O-N 3.11Å; L117-L120 HydrophobicContact CB-CD1 4.26Å; L117-L120 HydrophobicContact CD2-CD1 4.18Å; L117-L120 WeakPolarHBondContact O-CB 3.46Å; L117-L120 PolarHBondContact O-N 2.85Å; L117-R138 HydrophobicContact CD1-CG 4.16Å; L117-I139 HydrophobicContact CD1-CG1 3.98Å; L117-I139 HydrophobicContact CD2-CD1 4.42Å; L117-I139 HydrophobicContact CD2-CG1 3.98Å; L117-F142 HydrophobicContact CB-CD1 3.98Å; L117-F142 HydrophobicContact CB-CD2 3.87Å; L117-F142 HydrophobicContact CB-CE1 4.15Å; L117-F142 HydrophobicContact CB-CE2 4.01Å; L117-F142 HydrophobicContact CB-CG 3.84Å; L117-F142 HydrophobicContact CB-CZ 4.15Å; L117-F142 HydrophobicContact CD1-CB 3.7Å; L117-F142 HydrophobicContact CD1-CD2 4.39Å; L117-F142 HydrophobicContact CD1-CG 3.96Å; L117-F142 VanDerWaalsContact O-CE1 3.32Å; L117-F142 WeakPolarHBondContact O-CE1 3.33Å; L117-F142 VanDerWaalsContact O-CZ 3.26Å; L117-F142 WeakPolarHBondContact O-CZ 3.11Å |
| 118 | S | 96.4 | Very high | 95.1 | Very high | 50 Ų | 50 | 58.2 Ų | 58.2 | 35% | 0.35 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -55.6 | -29.8 | -179.2 | 69.7 | 0 | 0 | 0 | 0 | 113.9 | D116 L120 R121 | D116-S118 VanDerWaalsContact C-N 3.27Å; D116-S118 VanDerWaalsContact CG-OG 3.26Å; D116-S118 PolarHBondContact O-N 3.04Å; D116-S118 WeakPolarHBondContact OD1-CB 3.16Å; D116-S118 PolarHBondContact OD1-N 2.83Å; D116-S118 PolarHBondContact OD1-OG 2.97Å; D116-S118 WeakPolarHBondContact OD2-CB 3.14Å; D116-S118 PolarHBondContact OD2-OG 2.66Å; S118-L120 PolarHBondContact O-N 3.16Å; S118-R121 WeakPolarHBondContact O-CB 3.36Å; S118-R121 WeakPolarHBondContact O-CG 3.36Å; S118-R121 PolarHBondContact O-N 3.01Å |
| 119 | F | 96.4 | Very high | 95.3 | Very high | 68 Ų | 68 | 55.4 Ų | 55.4 | 30% | 0.298 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -63 | -21.2 | 176.6 | 79.8 | -87 | 0 | 0 | 0 | 113.4 | F34 V111 T115 D116 L117 R121 K122 Y123 | F34-F119 HydrophobicContact CD2-CE2 4.32Å; F34-F119 AromaticContact CE2-CE2 3.88Å; F34-F119 HydrophobicContact CE2-CE2 3.88Å; F34-F119 HydrophobicContact CZ-CE2 4.03Å; F34-F119 HydrophobicContact CZ-CZ 4.3Å; V111-F119 HydrophobicContact CG2-CZ 4.07Å; T115-F119 HydrophobicContact CG2-CE1 4.22Å; D116-F119 VanDerWaalsContact O-CD1 3.24Å; D116-F119 WeakPolarHBondContact O-CD1 3.44Å; L117-F119 PolarHBondContact O-N 3.37Å; L117-F119 VanDerWaalsContact O-N 3.11Å; F119-R121 VanDerWaalsContact C-N 3.26Å; F119-R121 PolarHBondContact O-N 3.49Å; F119-K122 WeakPolarHBondContact O-CG 3.49Å; F119-Y123 HydrophobicContact CD2-CE2 4.21Å; F119-Y123 HydrophobicContact CE2-CE2 4.44Å |
| 120 | L | 98 | Very high | 95.3 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -73 | -18 | 179.9 | -65.4 | 176.2 | 0 | 0 | 0 | 112.8 | F34 L117 S118 K122 Y123 V126 I139 F142 I150 | F34-L120 HydrophobicContact CB-CD2 4.47Å; F34-L120 HydrophobicContact CD1-CD2 3.86Å; F34-L120 HydrophobicContact CE1-CD2 4.18Å; F34-L120 HydrophobicContact CG-CD2 4.03Å; L117-L120 HydrophobicContact CB-CD1 4.26Å; L117-L120 HydrophobicContact CD2-CD1 4.18Å; L117-L120 WeakPolarHBondContact O-CB 3.46Å; L117-L120 PolarHBondContact O-N 2.85Å; S118-L120 PolarHBondContact O-N 3.16Å; L120-K122 PolarHBondContact O-N 2.72Å; L120-Y123 HydrophobicContact CD2-CD2 4.12Å; L120-Y123 HydrophobicContact CD2-CE2 4.18Å; L120-Y123 WeakPolarHBondContact O-CD2 3.3Å; L120-Y123 PolarHBondContact O-N 3.08Å; L120-V126 HydrophobicContact CB-CG2 4.44Å; L120-V126 HydrophobicContact CD2-CG2 3.97Å; L120-I139 HydrophobicContact CD1-CG2 3.95Å; L120-F142 HydrophobicContact CB-CD1 4.49Å; L120-F142 HydrophobicContact CB-CE1 3.98Å; L120-F142 HydrophobicContact CD1-CD1 4.37Å; L120-I150 HydrophobicContact CB-CD1 4.39Å; L120-I150 WeakPolarHBondContact O-CD1 3.21Å |
| 121 | R | 97.9 | Very high | 95.4 | Very high | 163 Ų | 163 | 49.3 Ų | 49.3 | 62% | 0.615 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -59.9 | -18.8 | -177 | -69.6 | -178.7 | 174.2 | 171.3 | 5.9 | 115.1 | S118 F119 F142 Q146 | S118-R121 WeakPolarHBondContact O-CB 3.36Å; S118-R121 WeakPolarHBondContact O-CG 3.36Å; S118-R121 PolarHBondContact O-N 3.01Å; F119-R121 VanDerWaalsContact C-N 3.26Å; F119-R121 PolarHBondContact O-N 3.49Å; R121-F142 HydrophobicContact CG-CE1 4.4Å; R121-F142 HydrophobicContact CG-CZ 3.97Å; R121-Q146 VanDerWaalsContact NE-OE1 3.07Å |
| 122 | K | 96.7 | Very high | 95.5 | Very high | 128 Ų | 128 | 51 Ų | 51 | 56% | 0.557 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -81.7 | -13.1 | 178.4 | 71.2 | -175.3 | -177.8 | 169.7 | 0 | 113.6 | F119 L120 | F119-K122 WeakPolarHBondContact O-CG 3.49Å; L120-K122 PolarHBondContact O-N 2.72Å |
| 123 | Y | 98.4 | Very high | 95.8 | Very high | 9 Ų | 9 | 48.7 Ų | 48.7 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | trans | -98 | 147.6 | -178.5 | -52.1 | -74.4 | 0 | 0 | 0 | 111.4 | S32 F34 T58 F119 L120 | S32-Y123 WeakPolarHBondContact O-CA 3.25Å; F34-Y123 HydrophobicContact CB-CD1 3.95Å; F34-Y123 HydrophobicContact CB-CD2 3.62Å; F34-Y123 HydrophobicContact CB-CE1 4.04Å; F34-Y123 HydrophobicContact CB-CE2 3.71Å; F34-Y123 HydrophobicContact CB-CG 3.75Å; F34-Y123 HydrophobicContact CD2-CE1 4.48Å; F34-Y123 AromaticContact CD2-CE2 3.77Å; F34-Y123 HydrophobicContact CD2-CE2 3.77Å; F34-Y123 AromaticContact CD2-CZ 3.72Å; F34-Y123 HydrophobicContact CG-CD2 4.31Å; F34-Y123 AromaticContact CG-CE2 4Å; F34-Y123 HydrophobicContact CG-CE2 4Å; T58-Y123 WeakPolarHBondContact CB-OH 3.29Å; T58-Y123 WeakPolarHBondContact OG1-CE1 2.92Å; T58-Y123 PolarHBondContact OG1-OH 3.26Å; F119-Y123 HydrophobicContact CD2-CE2 4.21Å; F119-Y123 HydrophobicContact CE2-CE2 4.44Å; L120-Y123 HydrophobicContact CD2-CD2 4.12Å; L120-Y123 HydrophobicContact CD2-CE2 4.18Å; L120-Y123 WeakPolarHBondContact O-CD2 3.3Å; L120-Y123 PolarHBondContact O-N 3.08Å | ||
| 124 | Q | 98.5 | Very high | 96.2 | Very high | 67 Ų | 67 | 48.4 Ų | 48.4 | 31% | 0.313 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -85.3 | -34 | 172.9 | -75.3 | 64.4 | 47.8 | 0 | 0 | 110.6 | S32 R151 I375 | S32-Q124 PolarHBondContact O-N 3.32Å; S32-Q124 PolarHBondContact O-OE1 3.41Å; Q124-R151 WeakPolarHBondContact O-CD 3.44Å; Q124-R151 PolarHBondContact O-N 3.45Å; Q124-I375 HydrophobicContact CB-CG2 4.25Å |
| 125 | C | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 137.4 | 178.5 | -174.7 | 0 | 0 | 0 | 0 | 111.6 | V33 F34 R151 I375 | V33-C125 WeakPolarHBondContact CA-O 3.36Å; V33-C125 HydrophobicContact CG1-CB 4.47Å; V33-C125 HydrophobicContact CG2-CB 4.39Å; F34-C125 PolarHBondContact N-O 2.73Å; C125-R151 CarbonylContact C-O 3.57Å; C125-R151 VanDerWaalsContact CA-O 3.28Å; C125-R151 WeakPolarHBondContact CA-O 3.11Å; C125-R151 HydrophobicContact CB-CB 4.38Å; C125-I375 HydrophobicContact CB-CG2 3.82Å |
| 126 | V | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125.8 | 176 | 171.3 | 0 | 0 | 0 | 0 | 108.6 | F34 L120 L128 I139 I150 R151 F152 I153 | F34-V126 HydrophobicContact CB-CG2 4.3Å; F34-V126 HydrophobicContact CD1-CG1 4.19Å; F34-V126 WeakPolarHBondContact O-CA 3.39Å; L120-V126 HydrophobicContact CB-CG2 4.44Å; L120-V126 HydrophobicContact CD2-CG2 3.97Å; V126-L128 HydrophobicContact CG1-CD2 4.27Å; V126-L128 HydrophobicContact CG1-CG 4.46Å; V126-I139 HydrophobicContact CG1-CG2 3.8Å; V126-I150 HydrophobicContact CB-CG2 4.36Å; V126-I150 HydrophobicContact CG2-CG2 3.7Å; V126-R151 PolarHBondContact N-O 3.27Å; V126-F152 HydrophobicContact CG1-CD2 4.4Å; V126-F152 WeakPolarHBondContact O-CA 3.24Å; V126-I153 PolarHBondContact O-N 3.18Å |
| 127 | I | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.8 | -177.5 | -50.5 | 155.2 | 0 | 0 | 0 | 108.1 | V33 F34 L35 S36 I45 I49 T129 I153 V371 | V33-I127 HydrophobicContact CG1-CD1 3.48Å; V33-I127 VanDerWaalsContact CG1-CD1 3.48Å; V33-I127 HydrophobicContact CG1-CG1 4.26Å; F34-I127 PolarHBondContact O-N 3.35Å; L35-I127 WeakPolarHBondContact CA-O 3.45Å; L35-I127 HydrophobicContact CB-CD1 4.44Å; L35-I127 HydrophobicContact CD1-CB 3.6Å; L35-I127 HydrophobicContact CD1-CD1 4.16Å; L35-I127 HydrophobicContact CD1-CG2 3.46Å; L35-I127 VanDerWaalsContact CD1-CG2 3.46Å; S36-I127 PolarHBondContact N-O 3.04Å; I45-I127 HydrophobicContact CD1-CG2 4.37Å; I45-I127 HydrophobicContact CG2-CD1 4.01Å; I49-I127 HydrophobicContact CD1-CD1 3.61Å; I127-T129 HydrophobicContact CG2-CG2 4.49Å; I127-I153 CarbonylContact C-O 3.5Å; I127-I153 VanDerWaalsContact CA-O 3.29Å; I127-I153 WeakPolarHBondContact CA-O 3.44Å; I127-I153 HydrophobicContact CG1-CB 4.41Å; I127-I153 HydrophobicContact CG2-CB 4.42Å; I127-I153 HydrophobicContact CG2-CG2 4.45Å; I127-V371 HydrophobicContact CD1-CB 4.44Å; I127-V371 HydrophobicContact CD1-CG1 4.18Å; I127-V371 HydrophobicContact CD1-CG2 3.38Å; I127-V371 HydrophobicContact CG1-CG2 3.85Å |
| 128 | L | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 128 | 175.2 | -57.8 | -176.6 | 0 | 0 | 0 | 110.3 | V126 A131 Q136 I139 F152 I153 C155 | V126-L128 HydrophobicContact CG1-CD2 4.27Å; V126-L128 HydrophobicContact CG1-CG 4.46Å; L128-A131 HydrophobicContact CB-CB 4.09Å; L128-A131 HydrophobicContact CD1-CB 4.41Å; L128-Q136 HydrophobicContact CB-CG 4.38Å; L128-Q136 HydrophobicContact CD1-CB 4.42Å; L128-Q136 HydrophobicContact CD1-CG 4.04Å; L128-I139 HydrophobicContact CD1-CB 3.97Å; L128-I139 HydrophobicContact CD1-CD1 3.69Å; L128-I139 HydrophobicContact CD1-CG1 4.35Å; L128-I139 HydrophobicContact CD1-CG2 4.07Å; L128-I139 HydrophobicContact CD2-CD1 4.07Å; L128-F152 HydrophobicContact CD1-CE2 3.62Å; L128-F152 HydrophobicContact CD1-CZ 3.96Å; L128-F152 HydrophobicContact CG-CE2 3.88Å; L128-F152 HydrophobicContact CG-CZ 4.33Å; L128-I153 PolarHBondContact N-O 2.94Å; L128-C155 PolarHBondContact O-N 2.82Å |
| 129 | T | 97.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -126.5 | 150.5 | 168 | 72.2 | 0 | 0 | 0 | 0 | 108.9 | L35 S36 G37 L41 I45 I127 A131 C155 | L35-T129 HydrophobicContact CD1-CG2 4.35Å; S36-T129 PolarHBondContact O-N 3.03Å; S36-T129 PolarHBondContact O-OG1 2.74Å; G37-T129 WeakPolarHBondContact CA-OG1 3.47Å; G37-T129 PolarHBondContact O-OG1 3.14Å; L41-T129 HydrophobicContact CD2-CG2 4.08Å; L41-T129 HydrophobicContact CG-CG2 4.24Å; I45-T129 HydrophobicContact CD1-CG2 4.03Å; I127-T129 HydrophobicContact CG2-CG2 4.49Å; T129-A131 PolarHBondContact O-N 3.06Å; T129-C155 VanDerWaalsContact CA-O 3.24Å; T129-C155 WeakPolarHBondContact CA-O 3.48Å; T129-C155 WeakPolarHBondContact CB-O 3.17Å; T129-C155 HydrophobicContact CG2-CB 4.38Å; T129-C155 WeakPolarHBondContact CG2-O 3.29Å |
| 130 | E | 94.3 | Very high | 97.2 | Very high | 75 Ų | 75 | 36 Ų | 36 | 35% | 0.35 | 17% | 0.166 | S | C | . | . | S | Bend | trans | 56.1 | 24.9 | 179 | -58.3 | 179.1 | 76.1 | 0 | 0 | 113.7 | G39 K63 R87 D156 | G39-E130 WeakPolarHBondContact CA-OE2 3.36Å; G39-E130 PolarHBondContact N-OE2 2.93Å; K63-E130 IonicContact NZ-OE1 3.83Å; K63-E130 PolarHBondContact NZ-OE1 2.85Å; R87-E130 IonicContact NH1-OE1 3.89Å; R87-E130 PolarHBondContact NH1-OE1 2.96Å; R87-E130 IonicContact NH1-OE2 2.9Å; E130-D156 PolarHBondContact N-OD1 3.01Å |
| 131 | A | 94.6 | Very high | 97.2 | Very high | 10 Ų | 10 | 38.9 Ų | 38.9 | 8% | 0.083 | 18% | 0.184 | C | C | . | . | trans | -101.5 | 144.5 | -179 | 0 | 0 | 0 | 0 | 0 | 110.8 | L128 T129 L135 Q136 | L128-A131 HydrophobicContact CB-CB 4.09Å; L128-A131 HydrophobicContact CD1-CB 4.41Å; T129-A131 PolarHBondContact O-N 3.06Å; A131-L135 HydrophobicContact CB-CD2 4.36Å; A131-Q136 HydrophobicContact CB-CG 3.93Å; A131-Q136 PolarHBondContact O-NE2 3.01Å | ||
| 132 | S | 94.2 | Very high | 97.2 | Very high | 55 Ų | 55 | 32.8 Ų | 32.8 | 39% | 0.385 | 16% | 0.162 | S | C | . | . | trans | -61 | 145.8 | 177 | 75 | 0 | 0 | 0 | 0 | 111.2 | N134 L135 Q136 | S132-N134 PolarHBondContact O-N 3.37Å; S132-N134 VanDerWaalsContact O-N 3.14Å; S132-L135 PolarHBondContact O-N 3.24Å; S132-L135 WeakPolarHBondContact OG-CB 3.44Å; S132-L135 PolarHBondContact OG-N 3.4Å; S132-Q136 WeakPolarHBondContact O-CG 3.37Å; S132-Q136 PolarHBondContact O-N 3.04Å | ||
| 133 | L | 95 | Very high | 97.3 | Very high | 23 Ų | 23 | 26.7 Ų | 26.7 | 12% | 0.12 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.5 | -33.3 | 179 | -177 | 61.8 | 0 | 0 | 0 | 112.6 | Q136 K137 L271 L275 L299 D302 | L133-Q136 PolarHBondContact O-N 3.48Å; L133-K137 WeakPolarHBondContact O-CE 3.23Å; L133-K137 WeakPolarHBondContact O-CG 3.25Å; L133-K137 PolarHBondContact O-N 2.93Å; L133-L271 HydrophobicContact CD1-CD2 4.46Å; L133-L275 HydrophobicContact CD1-CD1 4.05Å; L133-L275 HydrophobicContact CD1-CD2 3.92Å; L133-L275 HydrophobicContact CD2-CD1 4.29Å; L133-L275 HydrophobicContact CD2-CD2 4.42Å; L133-L275 HydrophobicContact CG-CD1 4.38Å; L133-L299 HydrophobicContact CD2-CD2 3.97Å; L133-D302 HydrophobicContact CB-CB 4.16Å; L133-D302 HydrophobicContact CD2-CB 4.03Å |
| 134 | N | 94.8 | Very high | 97.3 | Very high | 71 Ų | 71 | 27.5 Ų | 27.5 | 38% | 0.38 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -64.6 | -45.6 | 175.5 | -74.7 | -23.6 | 0 | 0 | 0 | 112.4 | S132 K137 R138 | S132-N134 PolarHBondContact O-N 3.37Å; S132-N134 VanDerWaalsContact O-N 3.14Å; N134-K137 PolarHBondContact O-N 2.83Å; N134-K137 VanDerWaalsContact OD1-CE 3.29Å; N134-K137 WeakPolarHBondContact OD1-CE 3.12Å; N134-K137 PolarHBondContact OD1-NZ 3.2Å; N134-R138 PolarHBondContact O-N 3.43Å |
| 135 | L | 95.9 | Very high | 97.3 | Very high | 14 Ų | 14 | 27.8 Ų | 27.8 | 7% | 0.073 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65 | -41.7 | 176.2 | -177.4 | 60.8 | 0 | 0 | 0 | 111.2 | V111 A131 S132 K137 R138 I139 | V111-L135 HydrophobicContact CG1-CD1 4.38Å; V111-L135 HydrophobicContact CG1-CD2 4.5Å; V111-L135 VanDerWaalsContact O-CD2 3.23Å; V111-L135 WeakPolarHBondContact O-CD2 3.43Å; A131-L135 HydrophobicContact CB-CD2 4.36Å; S132-L135 PolarHBondContact O-N 3.24Å; S132-L135 WeakPolarHBondContact OG-CB 3.44Å; S132-L135 PolarHBondContact OG-N 3.4Å; L135-K137 PolarHBondContact O-N 3.14Å; L135-R138 PolarHBondContact O-N 2.92Å; L135-I139 HydrophobicContact CD1-CD1 3.76Å; L135-I139 HydrophobicContact CD1-CG1 4.09Å; L135-I139 HydrophobicContact CD2-CD1 4.49Å; L135-I139 HydrophobicContact CG-CD1 3.87Å; L135-I139 HydrophobicContact CG-CG1 4.48Å; L135-I139 WeakPolarHBondContact O-CG1 3.28Å; L135-I139 PolarHBondContact O-N 2.94Å |
| 136 | Q | 97.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.5 | -47.1 | 176.1 | -66.5 | -168.1 | 39.1 | 0 | 0 | 111.7 | L128 A131 S132 L133 R138 I139 N140 F152 D156 L271 | L128-Q136 HydrophobicContact CB-CG 4.38Å; L128-Q136 HydrophobicContact CD1-CB 4.42Å; L128-Q136 HydrophobicContact CD1-CG 4.04Å; A131-Q136 HydrophobicContact CB-CG 3.93Å; A131-Q136 PolarHBondContact O-NE2 3.01Å; S132-Q136 WeakPolarHBondContact O-CG 3.37Å; S132-Q136 PolarHBondContact O-N 3.04Å; L133-Q136 PolarHBondContact O-N 3.48Å; Q136-R138 PolarHBondContact O-N 2.76Å; Q136-I139 PolarHBondContact O-N 3.37Å; Q136-N140 WeakPolarHBondContact O-CB 3.36Å; Q136-N140 PolarHBondContact O-N 3.34Å; Q136-F152 HydrophobicContact CB-CZ 4.28Å; Q136-D156 PolarHBondContact NE2-OD2 3.19Å; Q136-L271 HydrophobicContact CB-CD2 3.79Å |
| 137 | K | 97.5 | Very high | 97 | Very high | 55 Ų | 55 | 37.5 Ų | 37.5 | 24% | 0.239 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.8 | -47.8 | 175.2 | -73.2 | 178 | -60.3 | -177.9 | 0 | 111.8 | L133 N134 L135 I139 N140 T141 L271 L275 | L133-K137 WeakPolarHBondContact O-CE 3.23Å; L133-K137 WeakPolarHBondContact O-CG 3.25Å; L133-K137 PolarHBondContact O-N 2.93Å; N134-K137 PolarHBondContact O-N 2.83Å; N134-K137 VanDerWaalsContact OD1-CE 3.29Å; N134-K137 WeakPolarHBondContact OD1-CE 3.12Å; N134-K137 PolarHBondContact OD1-NZ 3.2Å; L135-K137 PolarHBondContact O-N 3.14Å; K137-I139 PolarHBondContact O-N 2.64Å; K137-N140 PolarHBondContact O-N 3.48Å; K137-T141 WeakPolarHBondContact O-CB 3.47Å; K137-T141 PolarHBondContact O-N 3.47Å; K137-T141 PolarHBondContact O-OG1 3.41Å; K137-T141 VanDerWaalsContact O-OG1 3.07Å; K137-L271 HydrophobicContact CG-CD2 4.08Å; K137-L271 HydrophobicContact CG-CG 4.27Å; K137-L275 HydrophobicContact CD-CD1 3.74Å; K137-L275 HydrophobicContact CG-CD1 3.94Å |
| 138 | R | 97.6 | Very high | 96.8 | Very high | 79 Ų | 79 | 42 Ų | 42 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.5 | -47.6 | -178.1 | -174.8 | -176.1 | 176.1 | -120.2 | -4.3 | 111.8 | D112 D113 T115 L117 N134 L135 Q136 F142 | D112-R138 PolarHBondContact O-NH1 3.06Å; D113-R138 PolarHBondContact O-NE 2.64Å; D113-R138 VanDerWaalsContact O-NE 3.09Å; D113-R138 PolarHBondContact O-NH1 3.02Å; D113-R138 PolarHBondContact O-NH2 3.41Å; T115-R138 VanDerWaalsContact O-CZ 3.29Å; T115-R138 PolarHBondContact O-NH1 3.15Å; T115-R138 PolarHBondContact O-NH2 3.1Å; L117-R138 HydrophobicContact CD1-CG 4.16Å; N134-R138 PolarHBondContact O-N 3.43Å; L135-R138 PolarHBondContact O-N 2.92Å; Q136-R138 PolarHBondContact O-N 2.76Å; R138-F142 PolarHBondContact O-N 2.88Å; R138-F142 VanDerWaalsContact O-N 3.09Å |
| 139 | I | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.4 | -42.7 | 178.9 | -69.2 | 176.7 | 0 | 0 | 0 | 110.6 | V111 L117 L120 V126 L128 L135 Q136 K137 T141 F142 C143 F152 | V111-I139 HydrophobicContact CG1-CD1 4Å; L117-I139 HydrophobicContact CD1-CG1 3.98Å; L117-I139 HydrophobicContact CD2-CD1 4.42Å; L117-I139 HydrophobicContact CD2-CG1 3.98Å; L120-I139 HydrophobicContact CD1-CG2 3.95Å; V126-I139 HydrophobicContact CG1-CG2 3.8Å; L128-I139 HydrophobicContact CD1-CB 3.97Å; L128-I139 HydrophobicContact CD1-CD1 3.69Å; L128-I139 HydrophobicContact CD1-CG1 4.35Å; L128-I139 HydrophobicContact CD1-CG2 4.07Å; L128-I139 HydrophobicContact CD2-CD1 4.07Å; L135-I139 HydrophobicContact CD1-CD1 3.76Å; L135-I139 HydrophobicContact CD1-CG1 4.09Å; L135-I139 HydrophobicContact CD2-CD1 4.49Å; L135-I139 HydrophobicContact CG-CD1 3.87Å; L135-I139 HydrophobicContact CG-CG1 4.48Å; L135-I139 WeakPolarHBondContact O-CG1 3.28Å; L135-I139 PolarHBondContact O-N 2.94Å; Q136-I139 PolarHBondContact O-N 3.37Å; K137-I139 PolarHBondContact O-N 2.64Å; I139-T141 PolarHBondContact O-N 2.9Å; I139-F142 WeakPolarHBondContact O-CB 3.38Å; I139-F142 PolarHBondContact O-N 2.84Å; I139-C143 WeakPolarHBondContact O-CB 3.1Å; I139-C143 PolarHBondContact O-N 3.14Å; I139-C143 PolarHBondContact O-SG 3.09Å; I139-F152 HydrophobicContact CB-CE2 4.29Å; I139-F152 HydrophobicContact CG2-CD2 4.04Å; I139-F152 HydrophobicContact CG2-CE2 3.83Å |
| 140 | N | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.4 | -49.5 | 175.6 | 172.5 | -104.2 | 0 | 0 | 0 | 111.8 | Q136 K137 F142 C143 H144 F152 D167 T270 L271 | Q136-N140 WeakPolarHBondContact O-CB 3.36Å; Q136-N140 PolarHBondContact O-N 3.34Å; K137-N140 PolarHBondContact O-N 3.48Å; N140-F142 VanDerWaalsContact C-N 3.3Å; N140-F142 PolarHBondContact O-N 3.33Å; N140-C143 WeakPolarHBondContact O-CB 3.28Å; N140-C143 PolarHBondContact O-N 2.67Å; N140-C143 VanDerWaalsContact O-N 3.14Å; N140-H144 WeakPolarHBondContact O-CB 3.28Å; N140-H144 PolarHBondContact O-N 2.9Å; N140-F152 HydrophobicContact CB-CD1 3.82Å; N140-F152 HydrophobicContact CB-CD2 4.18Å; N140-F152 HydrophobicContact CB-CE1 3.84Å; N140-F152 HydrophobicContact CB-CE2 4.2Å; N140-F152 HydrophobicContact CB-CG 3.98Å; N140-F152 HydrophobicContact CB-CZ 4.03Å; N140-F152 VanDerWaalsContact ND2-CD1 3.31Å; N140-F152 WeakPolarHBondContact ND2-CD1 3.44Å; N140-D167 WeakPolarHBondContact ND2-CB 3.17Å; N140-D167 PolarHBondContact ND2-OD2 2.87Å; N140-T270 WeakPolarHBondContact OD1-CA 3.46Å; N140-L271 HydrophobicContact CB-CB 3.94Å; N140-L271 HydrophobicContact CB-CD2 4.46Å; N140-L271 WeakPolarHBondContact OD1-CB 3.4Å; N140-L271 PolarHBondContact OD1-N 3Å |
| 141 | T | 98.4 | Very high | 97 | Very high | 61 Ų | 61 | 42.8 Ų | 42.8 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.1 | -39.9 | 177.3 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | K137 I139 S145 | K137-T141 WeakPolarHBondContact O-CB 3.47Å; K137-T141 PolarHBondContact O-N 3.47Å; K137-T141 PolarHBondContact O-OG1 3.41Å; K137-T141 VanDerWaalsContact O-OG1 3.07Å; I139-T141 PolarHBondContact O-N 2.9Å; T141-S145 WeakPolarHBondContact O-CB 3.28Å; T141-S145 PolarHBondContact O-N 2.95Å; T141-S145 VanDerWaalsContact O-N 3.13Å; T141-S145 PolarHBondContact O-OG 3.43Å |
| 142 | F | 98.4 | Very high | 97.2 | Very high | 35 Ų | 35 | 42.3 Ų | 42.3 | 15% | 0.154 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.9 | -50.4 | 173.2 | 177.2 | -92.3 | 0 | 0 | 0 | 111.4 | L117 L120 R121 R138 I139 N140 S145 Q146 I150 | L117-F142 HydrophobicContact CB-CD1 3.98Å; L117-F142 HydrophobicContact CB-CD2 3.87Å; L117-F142 HydrophobicContact CB-CE1 4.15Å; L117-F142 HydrophobicContact CB-CE2 4.01Å; L117-F142 HydrophobicContact CB-CG 3.84Å; L117-F142 HydrophobicContact CB-CZ 4.15Å; L117-F142 HydrophobicContact CD1-CB 3.7Å; L117-F142 HydrophobicContact CD1-CD2 4.39Å; L117-F142 HydrophobicContact CD1-CG 3.96Å; L117-F142 VanDerWaalsContact O-CE1 3.32Å; L117-F142 WeakPolarHBondContact O-CE1 3.33Å; L117-F142 VanDerWaalsContact O-CZ 3.26Å; L117-F142 WeakPolarHBondContact O-CZ 3.11Å; L120-F142 HydrophobicContact CB-CD1 4.49Å; L120-F142 HydrophobicContact CB-CE1 3.98Å; L120-F142 HydrophobicContact CD1-CD1 4.37Å; R121-F142 HydrophobicContact CG-CE1 4.4Å; R121-F142 HydrophobicContact CG-CZ 3.97Å; R138-F142 PolarHBondContact O-N 2.88Å; R138-F142 VanDerWaalsContact O-N 3.09Å; I139-F142 WeakPolarHBondContact O-CB 3.38Å; I139-F142 PolarHBondContact O-N 2.84Å; N140-F142 VanDerWaalsContact C-N 3.3Å; N140-F142 PolarHBondContact O-N 3.33Å; F142-S145 PolarHBondContact O-N 3.04Å; F142-S145 PolarHBondContact O-OG 2.99Å; F142-Q146 HydrophobicContact CD1-CG 4.46Å; F142-Q146 HydrophobicContact CE1-CG 4.11Å; F142-Q146 HydrophobicContact CZ-CG 4.42Å; F142-Q146 WeakPolarHBondContact O-CG 3.34Å; F142-Q146 PolarHBondContact O-N 3.06Å; F142-Q146 PolarHBondContact O-NE2 3.09Å; F142-I150 HydrophobicContact CE1-CD1 4.05Å |
| 143 | C | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.4 | -49.1 | 179.7 | -76.3 | 0 | 0 | 0 | 0 | 112.3 | I139 N140 S145 Q146 I150 F152 | I139-C143 WeakPolarHBondContact O-CB 3.1Å; I139-C143 PolarHBondContact O-N 3.14Å; I139-C143 PolarHBondContact O-SG 3.09Å; N140-C143 WeakPolarHBondContact O-CB 3.28Å; N140-C143 PolarHBondContact O-N 2.67Å; N140-C143 VanDerWaalsContact O-N 3.14Å; C143-S145 VanDerWaalsContact C-N 3.31Å; C143-S145 PolarHBondContact O-N 3.31Å; C143-Q146 PolarHBondContact O-N 3.02Å; C143-I150 HydrophobicContact CB-CB 3.92Å; C143-I150 HydrophobicContact CB-CG2 4.39Å; C143-I150 WeakPolarHBondContact CB-O 3.45Å; C143-I150 PolarHBondContact O-N 3.21Å; C143-F152 HydrophobicContact CB-CB 4.16Å |
| 144 | H | 98.4 | Very high | 97.6 | Very high | 25 Ų | 25 | 38.7 Ų | 38.7 | 12% | 0.116 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.7 | -34.5 | -179.5 | -165.5 | 101.6 | 0 | 0 | 0 | 112.7 | N140 D167 T270 | N140-H144 WeakPolarHBondContact O-CB 3.28Å; N140-H144 PolarHBondContact O-N 2.9Å; H144-D167 IonicContact CE1-OD1 2.9Å; H144-D167 IonicContact CE1-OD2 3.61Å; H144-D167 IonicContact CG-OD2 2.71Å; H144-D167 VanDerWaalsContact ND1-CG 3.26Å; H144-D167 IonicContact ND1-OD1 3.66Å; H144-D167 PolarHBondContact ND1-OD1 3.43Å; H144-D167 IonicContact ND1-OD2 2.99Å; H144-D167 PolarHBondContact ND1-OD2 3.22Å; H144-T270 HydrophobicContact CB-CG2 4.2Å |
| 145 | S | 97.7 | Very high | 97.7 | Very high | 73 Ų | 73 | 35.3 Ų | 35.3 | 51% | 0.51 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -81 | -8.6 | -179.3 | 60.7 | 0 | 0 | 0 | 0 | 115 | T141 F142 C143 | T141-S145 WeakPolarHBondContact O-CB 3.28Å; T141-S145 PolarHBondContact O-N 2.95Å; T141-S145 VanDerWaalsContact O-N 3.13Å; T141-S145 PolarHBondContact O-OG 3.43Å; F142-S145 PolarHBondContact O-N 3.04Å; F142-S145 PolarHBondContact O-OG 2.99Å; C143-S145 VanDerWaalsContact C-N 3.31Å; C143-S145 PolarHBondContact O-N 3.31Å |
| 146 | Q | 97.7 | Very high | 97.8 | Very high | 28 Ų | 28 | 34.8 Ų | 34.8 | 13% | 0.131 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -70.9 | 161.1 | 177.2 | -59.8 | -42.9 | -81.4 | 0 | 0 | 111.6 | R121 F142 C143 P148 P149 I150 | R121-Q146 VanDerWaalsContact NE-OE1 3.07Å; F142-Q146 HydrophobicContact CD1-CG 4.46Å; F142-Q146 HydrophobicContact CE1-CG 4.11Å; F142-Q146 HydrophobicContact CZ-CG 4.42Å; F142-Q146 WeakPolarHBondContact O-CG 3.34Å; F142-Q146 PolarHBondContact O-N 3.06Å; F142-Q146 PolarHBondContact O-NE2 3.09Å; C143-Q146 PolarHBondContact O-N 3.02Å; Q146-P148 VanDerWaalsContact C-C 3.45Å; Q146-P148 CarbonylContact C-O 3.56Å; Q146-P148 WeakPolarHBondContact CB-O 3.47Å; Q146-P148 CarbonylContact O-C 3.6Å; Q146-P148 VanDerWaalsContact O-C 3.25Å; Q146-P149 VanDerWaalsContact O-CA 3.28Å; Q146-P149 WeakPolarHBondContact O-CA 3.43Å; Q146-P149 VanDerWaalsContact O-N 3.08Å; Q146-I150 HydrophobicContact CB-CD1 4.4Å; Q146-I150 HydrophobicContact CB-CG1 4.09Å; Q146-I150 HydrophobicContact CG-CD1 3.62Å; Q146-I150 HydrophobicContact CG-CG1 3.85Å |
| 147 | Q | 94.8 | Very high | 97.7 | Very high | 176 Ų | 176 | 36.2 Ų | 36.2 | 82% | 0.822 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -130.6 | 107.2 | 178.2 | -70.2 | -65.4 | -26.3 | 0 | 0 | 109.9 | ||
| 148 | P | 94.4 | Very high | 97.7 | Very high | 96 Ų | 96 | 34.8 Ų | 34.8 | 62% | 0.623 | 18% | 0.181 | S | C | * | . | S | Bend | cis | -64.9 | 157.7 | -6.8 | 30.2 | -35.7 | 0 | 0 | 0 | 112.2 | Q146 | Q146-P148 VanDerWaalsContact C-C 3.45Å; Q146-P148 CarbonylContact C-O 3.56Å; Q146-P148 WeakPolarHBondContact CB-O 3.47Å; Q146-P148 CarbonylContact O-C 3.6Å; Q146-P148 VanDerWaalsContact O-C 3.25Å |
| 149 | P | 97.1 | Very high | 97.5 | Very high | 26 Ų | 26 | 31.1 Ų | 31.1 | 17% | 0.169 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 138.6 | 178.4 | -26.6 | 34.8 | 0 | 0 | 0 | 112.1 | Q146 R151 | Q146-P149 VanDerWaalsContact O-CA 3.28Å; Q146-P149 WeakPolarHBondContact O-CA 3.43Å; Q146-P149 VanDerWaalsContact O-N 3.08Å; P149-R151 PolarHBondContact O-NH1 2.88Å |
| 150 | I | 98.6 | Very high | 97.3 | Very high | 9 Ų | 9 | 31 Ų | 31 | 5% | 0.046 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -78.7 | 133.7 | 168.2 | -58.4 | 168.1 | 0 | 0 | 0 | 106.9 | L120 V126 F142 C143 Q146 | L120-I150 HydrophobicContact CB-CD1 4.39Å; L120-I150 WeakPolarHBondContact O-CD1 3.21Å; V126-I150 HydrophobicContact CB-CG2 4.36Å; V126-I150 HydrophobicContact CG2-CG2 3.7Å; F142-I150 HydrophobicContact CE1-CD1 4.05Å; C143-I150 HydrophobicContact CB-CB 3.92Å; C143-I150 HydrophobicContact CB-CG2 4.39Å; C143-I150 WeakPolarHBondContact CB-O 3.45Å; C143-I150 PolarHBondContact O-N 3.21Å; Q146-I150 HydrophobicContact CB-CD1 4.4Å; Q146-I150 HydrophobicContact CB-CG1 4.09Å; Q146-I150 HydrophobicContact CG-CD1 3.62Å; Q146-I150 HydrophobicContact CG-CG1 3.85Å |
| 151 | R | 98.6 | Very high | 97.3 | Very high | 59 Ų | 59 | 31 Ų | 31 | 22% | 0.223 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 131.8 | -177.1 | -62.5 | 80.1 | 168.3 | 138.2 | -6.4 | 108.7 | Q124 C125 V126 P149 F168 A374 | Q124-R151 WeakPolarHBondContact O-CD 3.44Å; Q124-R151 PolarHBondContact O-N 3.45Å; C125-R151 CarbonylContact C-O 3.57Å; C125-R151 VanDerWaalsContact CA-O 3.28Å; C125-R151 WeakPolarHBondContact CA-O 3.11Å; C125-R151 HydrophobicContact CB-CB 4.38Å; V126-R151 PolarHBondContact N-O 3.27Å; P149-R151 PolarHBondContact O-NH1 2.88Å; R151-F168 HydrophobicContact CB-CD1 3.75Å; R151-F168 HydrophobicContact CB-CE1 4.34Å; R151-F168 HydrophobicContact CB-CG 4.46Å; R151-F168 HydrophobicContact CG-CB 4.14Å; R151-F168 HydrophobicContact CG-CD1 4.06Å; R151-F168 HydrophobicContact CG-CG 4.27Å; R151-A374 HydrophobicContact CB-CB 3.82Å; R151-A374 HydrophobicContact CG-CB 4.03Å; R151-A374 PolarHBondContact NE-O 3.48Å |
| 152 | F | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 135.5 | -175.1 | 178.5 | -93.3 | 0 | 0 | 0 | 111.1 | V126 L128 Q136 I139 N140 C143 F165 D167 L271 | V126-F152 HydrophobicContact CG1-CD2 4.4Å; V126-F152 WeakPolarHBondContact O-CA 3.24Å; L128-F152 HydrophobicContact CD1-CE2 3.62Å; L128-F152 HydrophobicContact CD1-CZ 3.96Å; L128-F152 HydrophobicContact CG-CE2 3.88Å; L128-F152 HydrophobicContact CG-CZ 4.33Å; Q136-F152 HydrophobicContact CB-CZ 4.28Å; I139-F152 HydrophobicContact CB-CE2 4.29Å; I139-F152 HydrophobicContact CG2-CD2 4.04Å; I139-F152 HydrophobicContact CG2-CE2 3.83Å; N140-F152 HydrophobicContact CB-CD1 3.82Å; N140-F152 HydrophobicContact CB-CD2 4.18Å; N140-F152 HydrophobicContact CB-CE1 3.84Å; N140-F152 HydrophobicContact CB-CE2 4.2Å; N140-F152 HydrophobicContact CB-CG 3.98Å; N140-F152 HydrophobicContact CB-CZ 4.03Å; N140-F152 VanDerWaalsContact ND2-CD1 3.31Å; N140-F152 WeakPolarHBondContact ND2-CD1 3.44Å; C143-F152 HydrophobicContact CB-CB 4.16Å; F152-F165 AromaticContact CD1-CD1 3.93Å; F152-F165 HydrophobicContact CD1-CD1 3.93Å; F152-F165 HydrophobicContact CD1-CE1 4.06Å; F152-F165 AromaticContact CE1-CD1 3.9Å; F152-F165 HydrophobicContact CE1-CD1 3.9Å; F152-F165 HydrophobicContact CE1-CE1 4.3Å; F152-D167 HydrophobicContact CB-CB 4.43Å; F152-D167 PolarHBondContact N-O 2.93Å; F152-D167 PolarHBondContact O-N 3.47Å; F152-L271 HydrophobicContact CE1-CD2 4.45Å |
| 153 | I | 98.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 122.9 | 171.5 | -60.7 | 174.9 | 0 | 0 | 0 | 109.2 | V126 I127 L128 I164 F165 F168 E370 V371 | V126-I153 PolarHBondContact O-N 3.18Å; I127-I153 CarbonylContact C-O 3.5Å; I127-I153 VanDerWaalsContact CA-O 3.29Å; I127-I153 WeakPolarHBondContact CA-O 3.44Å; I127-I153 HydrophobicContact CG1-CB 4.41Å; I127-I153 HydrophobicContact CG2-CB 4.42Å; I127-I153 HydrophobicContact CG2-CG2 4.45Å; L128-I153 PolarHBondContact N-O 2.94Å; I153-I164 HydrophobicContact CG2-CG2 4.2Å; I153-F165 CarbonylContact C-O 3.55Å; I153-F165 VanDerWaalsContact CA-O 3.25Å; I153-F165 WeakPolarHBondContact CA-O 3.28Å; I153-F168 HydrophobicContact CD1-CE1 4.11Å; I153-F168 HydrophobicContact CD1-CZ 4.29Å; I153-F168 HydrophobicContact CG1-CE1 3.88Å; I153-F168 HydrophobicContact CG1-CZ 4.45Å; I153-E370 HydrophobicContact CD1-CB 3.94Å; I153-V371 HydrophobicContact CD1-CB 4.31Å; I153-V371 HydrophobicContact CD1-CG2 3.57Å |
| 154 | G | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 130.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | I164 F165 | G154-I164 CarbonylContact O-C 3.6Å; G154-I164 WeakPolarHBondContact O-CA 3.46Å; G154-F165 PolarHBondContact N-O 3.37Å; G154-F165 PolarHBondContact O-N 2.89Å |
| 155 | C | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 125 | -177.6 | -167.7 | 0 | 0 | 0 | 0 | 110.9 | L41 I45 L128 T129 R163 | L41-C155 HydrophobicContact CD2-CB 3.9Å; L41-C155 WeakPolarHBondContact CD2-O 3.17Å; L41-C155 WeakPolarHBondContact CD2-SG 3.45Å; I45-C155 HydrophobicContact CD1-CB 4.48Å; L128-C155 PolarHBondContact O-N 2.82Å; T129-C155 VanDerWaalsContact CA-O 3.24Å; T129-C155 WeakPolarHBondContact CA-O 3.48Å; T129-C155 WeakPolarHBondContact CB-O 3.17Å; T129-C155 HydrophobicContact CG2-CB 4.38Å; T129-C155 WeakPolarHBondContact CG2-O 3.29Å; C155-R163 VanDerWaalsContact CA-O 3.29Å; C155-R163 WeakPolarHBondContact CA-O 3.22Å; C155-R163 PolarHBondContact SG-O 3.1Å |
| 156 | D | 97.4 | Very high | 97.3 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 147.6 | -178.8 | -61.2 | -61.1 | 0 | 0 | 0 | 111.5 | E130 Q136 Y158 A162 R163 | E130-D156 PolarHBondContact N-OD1 3.01Å; Q136-D156 PolarHBondContact NE2-OD2 3.19Å; D156-Y158 HydrophobicContact CB-CD2 4.18Å; D156-Y158 HydrophobicContact CB-CE2 3.65Å; D156-A162 CarbonylContact O-C 3.56Å; D156-A162 VanDerWaalsContact O-CA 3.28Å; D156-A162 WeakPolarHBondContact O-CA 3.22Å; D156-R163 HydrophobicContact CB-CG 4.15Å; D156-R163 PolarHBondContact N-O 3.17Å; D156-R163 PolarHBondContact O-N 3.11Å; D156-R163 IonicContact OD2-CZ 3.05Å; D156-R163 IonicContact OD2-NE 2.94Å; D156-R163 PolarHBondContact OD2-NE 3.43Å; D156-R163 IonicContact OD2-NH2 2.76Å; D156-R163 PolarHBondContact OD2-NH2 3.09Å |
| 157 | T | 96.5 | Very high | 97.3 | Very high | 32 Ų | 32 | 20.6 Ų | 20.6 | 20% | 0.196 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 122.2 | 170.1 | 57.2 | 0 | 0 | 0 | 0 | 109.5 | L41 C161 A162 | L41-T157 HydrophobicContact CB-CG2 4.41Å; L41-T157 HydrophobicContact CD1-CG2 4.44Å; L41-T157 HydrophobicContact CD2-CG2 4.04Å; T157-C161 CarbonylContact C-O 3.58Å; T157-C161 WeakPolarHBondContact CA-O 3.46Å; T157-A162 HydrophobicContact CG2-CB 3.94Å |
| 158 | Y | 96.6 | Very high | 97.5 | Very high | 24 Ų | 24 | 12.3 Ų | 12.3 | 9% | 0.094 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 105.4 | 176.2 | -68.7 | -75.7 | 0 | 0 | 0 | 109.4 | D156 I160 C161 M298 L301 L311 L348 | D156-Y158 HydrophobicContact CB-CD2 4.18Å; D156-Y158 HydrophobicContact CB-CE2 3.65Å; Y158-I160 PolarHBondContact O-N 2.73Å; Y158-C161 PolarHBondContact N-O 3.49Å; Y158-C161 PolarHBondContact O-N 2.98Å; Y158-M298 HydrophobicContact CD2-CE 3.9Å; Y158-M298 HydrophobicContact CD2-SD 3.91Å; Y158-L301 HydrophobicContact CD1-CD2 3.99Å; Y158-L301 HydrophobicContact CD2-CD2 3.94Å; Y158-L301 HydrophobicContact CG-CD2 3.63Å; Y158-L311 HydrophobicContact CD1-CD1 4.38Å; Y158-L311 HydrophobicContact CD1-CD2 4.31Å; Y158-L311 HydrophobicContact CE1-CD1 4.36Å; Y158-L311 HydrophobicContact CE1-CD2 4.11Å; Y158-L348 WeakPolarHBondContact O-CD1 3.42Å |
| 159 | G | 94.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 7.8 Ų | 7.8 | 2% | 0.021 | 4% | 0.038 | C | C | . | . | B | Isolated β-bridge | trans | 56.8 | -101.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T351 G354 | G159-T351 WeakPolarHBondContact CA-O 3.25Å; G159-G354 WeakPolarHBondContact CA-O 3.41Å; G159-G354 PolarHBondContact N-O 3.39Å |
| 160 | I | 94.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -3 | -175.7 | 64.8 | 140 | 0 | 0 | 0 | 115.4 | Y158 C347 T351 L356 D389 T390 V394 | Y158-I160 PolarHBondContact O-N 2.73Å; I160-C347 HydrophobicContact CD1-CB 3.7Å; I160-T351 HydrophobicContact CG2-CG2 4.37Å; I160-L356 HydrophobicContact CB-CD1 4.4Å; I160-L356 HydrophobicContact CG2-CD1 3.75Å; I160-D389 CarbonylContact O-C 3.6Å; I160-D389 VanDerWaalsContact O-CA 3.27Å; I160-D389 WeakPolarHBondContact O-CA 3.46Å; I160-T390 WeakPolarHBondContact CB-OG1 3.26Å; I160-T390 PolarHBondContact O-N 3.33Å; I160-V394 HydrophobicContact CB-CG2 4.35Å; I160-V394 HydrophobicContact CD1-CG2 4.35Å; I160-V394 HydrophobicContact CG2-CG2 3.35Å |
| 161 | C | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 144.8 | 179.4 | -63.8 | 0 | 0 | 0 | 0 | 110.3 | T157 Y158 I294 M298 L348 L388 | T157-C161 CarbonylContact C-O 3.58Å; T157-C161 WeakPolarHBondContact CA-O 3.46Å; Y158-C161 PolarHBondContact N-O 3.49Å; Y158-C161 PolarHBondContact O-N 2.98Å; C161-I294 HydrophobicContact CB-CG2 4.26Å; C161-M298 HydrophobicContact CB-CE 3.62Å; C161-M298 HydrophobicContact CB-SD 3.95Å; C161-M298 WeakPolarHBondContact O-CE 3.35Å; C161-L348 HydrophobicContact CB-CD1 3.94Å; C161-L388 CarbonylContact C-O 3.53Å; C161-L388 WeakPolarHBondContact CA-O 3.47Å |
| 162 | A | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 152.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D156 T157 L359 V363 Y387 L388 | D156-A162 CarbonylContact O-C 3.56Å; D156-A162 VanDerWaalsContact O-CA 3.28Å; D156-A162 WeakPolarHBondContact O-CA 3.22Å; T157-A162 HydrophobicContact CG2-CB 3.94Å; A162-L359 HydrophobicContact CB-CD1 4.23Å; A162-L359 HydrophobicContact CB-CD2 4.26Å; A162-L359 HydrophobicContact CB-CG 4.26Å; A162-V363 HydrophobicContact CB-CB 4.4Å; A162-V363 HydrophobicContact CB-CG1 4.21Å; A162-V363 HydrophobicContact CB-CG2 3.52Å; A162-Y387 WeakPolarHBondContact O-CA 3.32Å; A162-L388 PolarHBondContact N-O 2.94Å; A162-L388 PolarHBondContact O-N 3.33Å; A162-L388 VanDerWaalsContact O-N 3.17Å |
| 163 | R | 97.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 0% | 0.004 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 143.5 | 172.9 | 69.8 | -174.6 | 179.4 | -166.2 | -8.5 | 111.1 | C155 D156 M298 D302 W385 F386 Y387 | C155-R163 VanDerWaalsContact CA-O 3.29Å; C155-R163 WeakPolarHBondContact CA-O 3.22Å; C155-R163 PolarHBondContact SG-O 3.1Å; D156-R163 HydrophobicContact CB-CG 4.15Å; D156-R163 PolarHBondContact N-O 3.17Å; D156-R163 PolarHBondContact O-N 3.11Å; D156-R163 IonicContact OD2-CZ 3.05Å; D156-R163 IonicContact OD2-NE 2.94Å; D156-R163 PolarHBondContact OD2-NE 3.43Å; D156-R163 IonicContact OD2-NH2 2.76Å; D156-R163 PolarHBondContact OD2-NH2 3.09Å; R163-M298 HydrophobicContact CB-CE 4.47Å; R163-M298 HydrophobicContact CG-CE 4.45Å; R163-D302 IonicContact CZ-OD1 2.67Å; R163-D302 IonicContact CZ-OD2 3.41Å; R163-D302 IonicContact NH1-OD1 3.54Å; R163-D302 IonicContact NH1-OD2 3.33Å; R163-D302 PolarHBondContact NH1-OD2 3.07Å; R163-D302 IonicContact NH2-OD1 3.6Å; R163-D302 PolarHBondContact NH2-OD1 3.29Å; R163-D302 IonicContact NH2-OD2 3.36Å; R163-D302 PolarHBondContact NH2-OD2 2.81Å; R163-W385 HydrophobicContact CB-CE3 4.48Å; R163-W385 HydrophobicContact CB-CZ3 4.28Å; R163-W385 HydrophobicContact CG-CZ3 4.3Å; R163-F386 CarbonylContact C-O 3.5Å; R163-F386 VanDerWaalsContact CA-O 3.29Å; R163-F386 WeakPolarHBondContact CA-O 3.33Å; R163-Y387 HydrophobicContact CB-CD1 3.67Å; R163-Y387 HydrophobicContact CB-CE1 3.36Å; R163-Y387 HydrophobicContact CG-CE1 4.46Å |
| 164 | I | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 134.3 | 166.3 | -48.9 | 176.4 | 0 | 0 | 0 | 107.3 | I153 G154 V363 I366 A367 L382 W385 F386 | I153-I164 HydrophobicContact CG2-CG2 4.2Å; G154-I164 CarbonylContact O-C 3.6Å; G154-I164 WeakPolarHBondContact O-CA 3.46Å; I164-V363 HydrophobicContact CD1-CG1 3.93Å; I164-V363 HydrophobicContact CG1-CG1 3.84Å; I164-I366 HydrophobicContact CD1-CB 3.93Å; I164-I366 HydrophobicContact CD1-CG2 3.57Å; I164-A367 HydrophobicContact CD1-CB 4.06Å; I164-A367 HydrophobicContact CG2-CB 4.49Å; I164-L382 HydrophobicContact CB-CD2 4.2Å; I164-L382 HydrophobicContact CG2-CD2 4.12Å; I164-W385 CarbonylContact O-C 3.44Å; I164-W385 VanDerWaalsContact O-CA 3.25Å; I164-W385 WeakPolarHBondContact O-CA 3.49Å; I164-F386 HydrophobicContact CB-CB 4.23Å; I164-F386 HydrophobicContact CD1-CD1 3.73Å; I164-F386 HydrophobicContact CD1-CE1 4.43Å; I164-F386 HydrophobicContact CG1-CD1 4.03Å; I164-F386 PolarHBondContact N-O 3.32Å; I164-F386 PolarHBondContact O-N 2.77Å |
| 165 | F | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 134.2 | 170.4 | 177.3 | -107.5 | 0 | 0 | 0 | 109.7 | F152 I153 G154 D167 L271 Q274 Q384 W385 | F152-F165 AromaticContact CD1-CD1 3.93Å; F152-F165 HydrophobicContact CD1-CD1 3.93Å; F152-F165 HydrophobicContact CD1-CE1 4.06Å; F152-F165 AromaticContact CE1-CD1 3.9Å; F152-F165 HydrophobicContact CE1-CD1 3.9Å; F152-F165 HydrophobicContact CE1-CE1 4.3Å; I153-F165 CarbonylContact C-O 3.55Å; I153-F165 VanDerWaalsContact CA-O 3.25Å; I153-F165 WeakPolarHBondContact CA-O 3.28Å; G154-F165 PolarHBondContact N-O 3.37Å; G154-F165 PolarHBondContact O-N 2.89Å; F165-D167 HydrophobicContact CE1-CB 3.66Å; F165-D167 HydrophobicContact CZ-CB 3.91Å; F165-L271 HydrophobicContact CD1-CB 4.28Å; F165-L271 HydrophobicContact CD1-CD1 3.81Å; F165-L271 HydrophobicContact CD2-CD1 4.2Å; F165-L271 HydrophobicContact CE1-CB 3.65Å; F165-L271 HydrophobicContact CE1-CD1 3.92Å; F165-L271 HydrophobicContact CE1-CG 4.32Å; F165-L271 HydrophobicContact CE2-CD1 4.31Å; F165-L271 HydrophobicContact CG-CD1 3.94Å; F165-L271 HydrophobicContact CZ-CB 3.98Å; F165-L271 HydrophobicContact CZ-CD1 4.17Å; F165-Q274 HydrophobicContact CE2-CB 3.82Å; F165-Q274 HydrophobicContact CE2-CG 3.99Å; F165-Q274 HydrophobicContact CZ-CB 4.41Å; F165-Q274 HydrophobicContact CZ-CG 4.47Å; F165-Q384 CarbonylContact C-O 3.28Å; F165-Q384 WeakPolarHBondContact CA-O 3.43Å; F165-Q384 HydrophobicContact CD2-CB 4.3Å; F165-Q384 HydrophobicContact CE2-CB 3.98Å; F165-W385 HydrophobicContact CB-CD2 4.06Å; F165-W385 HydrophobicContact CB-CE3 3.69Å; F165-W385 HydrophobicContact CB-CH2 3.79Å; F165-W385 HydrophobicContact CB-CZ2 4.16Å; F165-W385 HydrophobicContact CB-CZ3 3.55Å; F165-W385 AromaticContact CD2-CD2 3.69Å; F165-W385 HydrophobicContact CD2-CD2 3.69Å; F165-W385 AromaticContact CD2-CE2 3.37Å; F165-W385 HydrophobicContact CD2-CE3 4.22Å; F165-W385 HydrophobicContact CD2-CG 4.11Å; F165-W385 HydrophobicContact CD2-CH2 4.21Å; F165-W385 AromaticContact CD2-CZ2 3.68Å; F165-W385 HydrophobicContact CD2-CZ2 3.68Å; F165-W385 HydrophobicContact CD2-CZ3 4.46Å; F165-W385 AromaticContact CD2-NE1 3.61Å; F165-W385 HydrophobicContact CE2-CZ2 4.37Å; F165-W385 AromaticContact CE2-NE1 3.91Å; F165-W385 HydrophobicContact CG-CD2 4.31Å; F165-W385 HydrophobicContact CG-CE3 4.39Å; F165-W385 HydrophobicContact CG-CH2 4.12Å; F165-W385 HydrophobicContact CG-CZ2 4.03Å; F165-W385 HydrophobicContact CG-CZ3 4.31Å |
| 166 | C | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 133.1 | 174.9 | -65.6 | 0 | 0 | 0 | 0 | 111 | F168 F268 Q384 | C166-F168 HydrophobicContact CB-CE1 3.89Å; C166-F168 HydrophobicContact CB-CZ 3.84Å; C166-F268 HydrophobicContact CB-CE1 4.32Å; C166-F268 VanDerWaalsContact O-CD1 3.25Å; C166-F268 WeakPolarHBondContact O-CD1 3.48Å; C166-Q384 PolarHBondContact N-O 2.82Å |
| 167 | D | 98.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 107.3 | 169.9 | 174.7 | 6.7 | 0 | 0 | 0 | 109.9 | N140 H144 F152 F165 G169 F268 | N140-D167 WeakPolarHBondContact ND2-CB 3.17Å; N140-D167 PolarHBondContact ND2-OD2 2.87Å; H144-D167 IonicContact CE1-OD1 2.9Å; H144-D167 IonicContact CE1-OD2 3.61Å; H144-D167 IonicContact CG-OD2 2.71Å; H144-D167 VanDerWaalsContact ND1-CG 3.26Å; H144-D167 IonicContact ND1-OD1 3.66Å; H144-D167 PolarHBondContact ND1-OD1 3.43Å; H144-D167 IonicContact ND1-OD2 2.99Å; H144-D167 PolarHBondContact ND1-OD2 3.22Å; F152-D167 HydrophobicContact CB-CB 4.43Å; F152-D167 PolarHBondContact N-O 2.93Å; F152-D167 PolarHBondContact O-N 3.47Å; F165-D167 HydrophobicContact CE1-CB 3.66Å; F165-D167 HydrophobicContact CZ-CB 3.91Å; D167-G169 PolarHBondContact OD1-N 3.21Å; D167-F268 WeakPolarHBondContact OD1-CB 3.45Å |
| 168 | F | 98.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 1% | 0.013 | 14% | 0.144 | C | C | . | . | trans | -105 | 15.5 | -179 | -53.2 | -21.5 | 0 | 0 | 0 | 112.8 | R151 I153 C166 F172 F268 E370 A374 P381 | R151-F168 HydrophobicContact CB-CD1 3.75Å; R151-F168 HydrophobicContact CB-CE1 4.34Å; R151-F168 HydrophobicContact CB-CG 4.46Å; R151-F168 HydrophobicContact CG-CB 4.14Å; R151-F168 HydrophobicContact CG-CD1 4.06Å; R151-F168 HydrophobicContact CG-CG 4.27Å; I153-F168 HydrophobicContact CD1-CE1 4.11Å; I153-F168 HydrophobicContact CD1-CZ 4.29Å; I153-F168 HydrophobicContact CG1-CE1 3.88Å; I153-F168 HydrophobicContact CG1-CZ 4.45Å; C166-F168 HydrophobicContact CB-CE1 3.89Å; C166-F168 HydrophobicContact CB-CZ 3.84Å; F168-F172 HydrophobicContact CB-CB 4.11Å; F168-F172 HydrophobicContact CB-CD1 4.37Å; F168-F172 HydrophobicContact CB-CD2 3.7Å; F168-F172 HydrophobicContact CB-CE2 4.21Å; F168-F172 HydrophobicContact CB-CG 3.8Å; F168-F172 HydrophobicContact CD2-CD1 4.07Å; F168-F172 HydrophobicContact CD2-CD2 4.44Å; F168-F172 AromaticContact CD2-CE1 3.9Å; F168-F172 HydrophobicContact CD2-CE1 3.9Å; F168-F172 HydrophobicContact CD2-CE2 4.3Å; F168-F172 HydrophobicContact CD2-CG 4.32Å; F168-F172 HydrophobicContact CD2-CZ 4.03Å; F168-F172 HydrophobicContact CG-CD2 4.45Å; F168-F268 HydrophobicContact CB-CD2 3.86Å; F168-F268 HydrophobicContact CB-CE2 3.76Å; F168-F268 HydrophobicContact CB-CG 4.44Å; F168-F268 HydrophobicContact CB-CZ 4.23Å; F168-F268 HydrophobicContact CD2-CE1 4.37Å; F168-F268 AromaticContact CD2-CE2 3.98Å; F168-F268 HydrophobicContact CD2-CE2 3.98Å; F168-F268 AromaticContact CD2-CZ 3.72Å; F168-F268 HydrophobicContact CD2-CZ 3.72Å; F168-F268 HydrophobicContact CE2-CZ 4.37Å; F168-F268 HydrophobicContact CG-CE2 4.16Å; F168-F268 HydrophobicContact CG-CZ 4.12Å; F168-E370 HydrophobicContact CZ-CB 4.49Å; F168-A374 HydrophobicContact CD1-CB 3.98Å; F168-A374 HydrophobicContact CD2-CB 4.44Å; F168-A374 HydrophobicContact CE1-CB 3.58Å; F168-A374 HydrophobicContact CE2-CB 4.04Å; F168-A374 HydrophobicContact CG-CB 4.43Å; F168-A374 HydrophobicContact CZ-CB 3.62Å; F168-P381 HydrophobicContact CD2-CB 3.83Å; F168-P381 HydrophobicContact CD2-CG 4.42Å; F168-P381 HydrophobicContact CE2-CB 3.48Å; F168-P381 VanDerWaalsContact CE2-CB 3.48Å | ||
| 169 | G | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | 89.4 | 172.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D167 T171 F268 | D167-G169 PolarHBondContact OD1-N 3.21Å; G169-T171 PolarHBondContact O-N 3.45Å; G169-F268 WeakPolarHBondContact O-CB 3.26Å; G169-F268 WeakPolarHBondContact O-CD2 3.39Å; G169-F268 PolarHBondContact O-N 3.36Å | ||
| 170 | E | 95.6 | Very high | 95.3 | Very high | 127 Ų | 127 | 30.9 Ų | 30.9 | 59% | 0.593 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -65.6 | -20 | -176.8 | -60 | -173.3 | 159.6 | 0 | 0 | 113.8 | S267 | E170-S267 WeakPolarHBondContact O-CB 3.1Å; E170-S267 PolarHBondContact O-OG 2.77Å |
| 171 | T | 95.9 | Very high | 94.8 | Very high | 109 Ų | 109 | 35.4 Ų | 35.4 | 67% | 0.669 | 19% | 0.193 | S | C | * | . | trans | -142.6 | 101.9 | -178.6 | -56.5 | 0 | 0 | 0 | 0 | 109.8 | G169 T265 | G169-T171 PolarHBondContact O-N 3.45Å; T171-T265 HydrophobicContact CG2-CG2 3.76Å | ||
| 172 | F | 97.4 | Very high | 94.1 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 4% | 0.044 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 111 | 178.6 | -176.6 | -104.8 | 0 | 0 | 0 | 110.1 | F168 V174 T265 Y266 F268 K373 P381 | F168-F172 HydrophobicContact CB-CB 4.11Å; F168-F172 HydrophobicContact CB-CD1 4.37Å; F168-F172 HydrophobicContact CB-CD2 3.7Å; F168-F172 HydrophobicContact CB-CE2 4.21Å; F168-F172 HydrophobicContact CB-CG 3.8Å; F168-F172 HydrophobicContact CD2-CD1 4.07Å; F168-F172 HydrophobicContact CD2-CD2 4.44Å; F168-F172 AromaticContact CD2-CE1 3.9Å; F168-F172 HydrophobicContact CD2-CE1 3.9Å; F168-F172 HydrophobicContact CD2-CE2 4.3Å; F168-F172 HydrophobicContact CD2-CG 4.32Å; F168-F172 HydrophobicContact CD2-CZ 4.03Å; F168-F172 HydrophobicContact CG-CD2 4.45Å; F172-V174 HydrophobicContact CD1-CG2 3.72Å; F172-V174 HydrophobicContact CE1-CG2 3.48Å; F172-V174 VanDerWaalsContact CE1-CG2 3.48Å; F172-T265 CarbonylContact O-C 3.58Å; F172-T265 WeakPolarHBondContact O-CA 3.47Å; F172-Y266 PolarHBondContact N-O 3.47Å; F172-Y266 PolarHBondContact O-N 2.8Å; F172-F268 HydrophobicContact CB-CD2 4.4Å; F172-F268 HydrophobicContact CB-CE2 4.11Å; F172-F268 HydrophobicContact CD1-CE2 4.35Å; F172-F268 HydrophobicContact CG-CE2 4.45Å; F172-K373 WeakPolarHBondContact CZ-O 3.33Å; F172-P381 HydrophobicContact CD1-CG 4.23Å; F172-P381 HydrophobicContact CE1-CG 4.27Å |
| 173 | E | 96.5 | Very high | 93.5 | Very high | 121 Ų | 121 | 45.3 Ų | 45.3 | 57% | 0.565 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 131 | -179.6 | -169.7 | 179.2 | 121.9 | 0 | 0 | 111.2 | P263 | E173-P263 HydrophobicContact CG-CB 3.69Å |
| 174 | V | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 116.5 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 109.2 | F172 P177 P263 T264 Y266 G377 F379 | F172-V174 HydrophobicContact CD1-CG2 3.72Å; F172-V174 HydrophobicContact CE1-CG2 3.48Å; F172-V174 VanDerWaalsContact CE1-CG2 3.48Å; V174-P177 HydrophobicContact CG1-CB 3.98Å; V174-P263 CarbonylContact O-C 3.55Å; V174-P263 VanDerWaalsContact O-CA 3.24Å; V174-P263 WeakPolarHBondContact O-CA 3.46Å; V174-T264 PolarHBondContact N-O 2.92Å; V174-T264 PolarHBondContact O-N 3.22Å; V174-Y266 HydrophobicContact CB-CD2 4.01Å; V174-Y266 HydrophobicContact CB-CE2 3.72Å; V174-Y266 HydrophobicContact CG1-CE2 4.29Å; V174-Y266 HydrophobicContact CG2-CD2 3.48Å; V174-Y266 VanDerWaalsContact CG2-CD2 3.48Å; V174-Y266 HydrophobicContact CG2-CE2 3.55Å; V174-G377 CarbonylContact C-O 3.17Å; V174-G377 WeakPolarHBondContact CA-O 3.47Å; V174-G377 WeakPolarHBondContact CG1-O 3.01Å; V174-F379 VanDerWaalsContact CG1-O 3.31Å; V174-F379 WeakPolarHBondContact CG1-O 3.31Å |
| 175 | S | 92 | Very high | 92.6 | Very high | 61 Ų | 61 | 48.5 Ų | 48.5 | 43% | 0.427 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -75.3 | -28.3 | -177.5 | 62 | 0 | 0 | 0 | 0 | 113.2 | G377 | S175-G377 PolarHBondContact N-O 2.96Š|
| 176 | D | 92 | Very high | 92.3 | Very high | 16 Ų | 16 | 49.4 Ų | 49.4 | 9% | 0.086 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -145.8 | 89.5 | -176 | -178.8 | 2.7 | 0 | 0 | 0 | 110.7 | T178 G179 K261 K378 F379 | D176-T178 VanDerWaalsContact C-N 3.28Å; D176-T178 PolarHBondContact O-N 2.91Å; D176-T178 PolarHBondContact OD1-N 2.97Å; D176-G179 WeakPolarHBondContact OD1-CA 3.33Å; D176-G179 PolarHBondContact OD1-N 2.9Å; D176-G179 WeakPolarHBondContact OD2-CA 3.48Å; D176-K261 IonicContact OD1-NZ 3.7Å; D176-K261 PolarHBondContact OD1-NZ 3.37Å; D176-K261 IonicContact OD2-NZ 3.96Å; D176-K261 PolarHBondContact OD2-NZ 3.22Å; D176-K378 HydrophobicContact CB-CD 4.2Å; D176-K378 IonicContact OD2-NZ 3.89Å; D176-K378 PolarHBondContact OD2-NZ 3.24Å; D176-F379 WeakPolarHBondContact O-CA 3.44Å; D176-F379 PolarHBondContact O-N 3.3Å |
| 177 | P | 91.6 | Very high | 92 | Very high | 25 Ų | 25 | 49.4 Ų | 49.4 | 16% | 0.162 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -73.2 | -13.1 | -172.6 | 24.7 | -31.4 | 0 | 0 | 0 | 114.6 | V174 A380 | V174-P177 HydrophobicContact CG1-CB 3.98Å; P177-A380 HydrophobicContact CB-CB 4.11Å; P177-A380 WeakPolarHBondContact O-CB 3.41Å; P177-A380 PolarHBondContact O-N 3Å |
| 178 | T | 90.3 | Very high | 91.7 | Very high | 57 Ų | 57 | 54 Ų | 54 | 35% | 0.35 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -120.1 | -24.5 | -174.9 | 65.5 | 0 | 0 | 0 | 0 | 114.3 | D176 E180 A900 I901 | D176-T178 VanDerWaalsContact C-N 3.28Å; D176-T178 PolarHBondContact O-N 2.91Å; D176-T178 PolarHBondContact OD1-N 2.97Å; T178-E180 PolarHBondContact O-N 2.81Å; T178-E180 PolarHBondContact OG1-N 3.45Å; T178-A900 WeakPolarHBondContact O-CB 3.49Å; T178-I901 HydrophobicContact CG2-CG2 4.35Å |
| 179 | G | 88.5 | Confident | 91.5 | Very high | 26 Ų | 26 | 56 Ų | 56 | 27% | 0.268 | 30% | 0.297 | S | S | . | . | trans | 77.9 | -7.6 | -173 | 0 | 0 | 0 | 0 | 0 | 115.6 | D176 | D176-G179 WeakPolarHBondContact OD1-CA 3.33Å; D176-G179 PolarHBondContact OD1-N 2.9Å; D176-G179 WeakPolarHBondContact OD2-CA 3.48Å | ||
| 180 | E | 87 | Confident | 91.4 | Very high | 91 Ų | 91 | 56.4 Ų | 56.4 | 43% | 0.425 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -77 | 130.2 | -173.4 | -67.7 | -64.7 | 157.8 | 0 | 0 | 111.6 | T178 K261 K566 | T178-E180 PolarHBondContact O-N 2.81Å; T178-E180 PolarHBondContact OG1-N 3.45Å; E180-K261 WeakPolarHBondContact O-CE 3.4Å; E180-K261 PolarHBondContact O-NZ 2.99Å; E180-K566 VanDerWaalsContact OE1-CE 3.31Å; E180-K566 WeakPolarHBondContact OE1-CE 3.48Å; E180-K566 IonicContact OE1-NZ 2.83Å; E180-K566 PolarHBondContact OE1-NZ 3.48Å |
| 181 | E | 82.4 | Confident | 91.5 | Very high | 95 Ų | 95 | 52.9 Ų | 52.9 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 132.2 | 178.1 | -73 | -175.8 | -167.8 | 0 | 0 | 111.4 | K183 R856 | E181-K183 PolarHBondContact O-N 2.91Å; E181-R856 IonicContact OE1-CZ 3.58Å; E181-R856 IonicContact OE1-NH1 2.69Å; E181-R856 PolarHBondContact OE1-NH1 3.41Å; E181-R856 IonicContact OE2-NH1 3.25Å |
| 182 | P | 84.8 | Confident | 91.5 | Very high | 60 Ų | 60 | 52.2 Ų | 52.2 | 39% | 0.39 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 124.7 | 170.9 | -23.2 | 34.5 | 0 | 0 | 0 | 110.5 | V258 M259 K261 | P182-V258 HydrophobicContact CB-CG1 3.51Å; P182-M259 HydrophobicContact CB-CB 4.46Å; P182-M259 WeakPolarHBondContact CB-O 3.41Å; P182-K261 HydrophobicContact CG-CG 4.38Å |
| 183 | K | 84.1 | Confident | 91.4 | Very high | 149 Ų | 149 | 56.2 Ų | 56.2 | 65% | 0.648 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -90.4 | 146.4 | 177.7 | -63.8 | -176.5 | -179 | -179.7 | 0 | 110.8 | E181 | E181-K183 PolarHBondContact O-N 2.91Š|
| 184 | E | 88.1 | Confident | 91.2 | Very high | 53 Ų | 53 | 55 Ų | 55 | 25% | 0.248 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 125 | 166.5 | -62.4 | -175.8 | 166.8 | 0 | 0 | 109.5 | F256 V258 | E184-F256 HydrophobicContact CB-CD2 3.85Å; E184-F256 HydrophobicContact CB-CE2 4.24Å; E184-F256 HydrophobicContact CG-CD2 3.86Å; E184-F256 HydrophobicContact CG-CE2 3.72Å; E184-V258 HydrophobicContact CG-CG2 3.91Å |
| 185 | I | 90.6 | Very high | 91.2 | Very high | 15 Ų | 15 | 57 Ų | 57 | 8% | 0.077 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 118.7 | -179.7 | -51.2 | -169.2 | 0 | 0 | 0 | 109.2 | C200 H206 F256 F257 | I185-C200 HydrophobicContact CG2-CB 4.32Å; I185-H206 HydrophobicContact CD1-CB 4.04Å; I185-H206 WeakPolarHBondContact CD1-O 3.44Å; I185-F256 CarbonylContact O-C 3.5Å; I185-F256 WeakPolarHBondContact O-CA 3.31Å; I185-F256 VanDerWaalsContact O-CB 3.28Å; I185-F256 WeakPolarHBondContact O-CB 3.14Å; I185-F257 HydrophobicContact CB-CD1 4.3Å; I185-F257 HydrophobicContact CB-CD2 4.45Å; I185-F257 HydrophobicContact CB-CE1 3.71Å; I185-F257 HydrophobicContact CB-CE2 3.86Å; I185-F257 HydrophobicContact CB-CZ 3.47Å; I185-F257 VanDerWaalsContact CB-CZ 3.47Å; I185-F257 HydrophobicContact CD1-CE2 3.95Å; I185-F257 HydrophobicContact CD1-CZ 3.93Å; I185-F257 HydrophobicContact CG1-CE2 4.15Å; I185-F257 HydrophobicContact CG1-CZ 4.13Å; I185-F257 HydrophobicContact CG2-CE1 3.72Å; I185-F257 HydrophobicContact CG2-CE2 4.44Å; I185-F257 HydrophobicContact CG2-CZ 3.59Å; I185-F257 PolarHBondContact N-O 3.1Å; I185-F257 WeakPolarHBondContact O-CD1 3.47Å; I185-F257 PolarHBondContact O-N 3.27Å |
| 186 | F | 91.5 | Very high | 91.4 | Very high | 19 Ų | 19 | 54.1 Ų | 54.1 | 8% | 0.083 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 143.2 | -177.3 | -68.4 | -74.2 | 0 | 0 | 0 | 112.2 | M201 F256 V602 P707 | F186-M201 HydrophobicContact CB-CB 3.92Å; F186-M201 HydrophobicContact CB-CE 4.38Å; F186-M201 HydrophobicContact CB-SD 3.86Å; F186-M201 PolarHBondContact O-N 3.17Å; F186-F256 HydrophobicContact CD1-CB 4.03Å; F186-F256 HydrophobicContact CE1-CB 4.38Å; F186-V602 HydrophobicContact CE2-CG1 4.28Å; F186-V602 HydrophobicContact CZ-CG1 4.35Å; F186-P707 HydrophobicContact CD2-CB 4.42Å; F186-P707 HydrophobicContact CE2-CB 4.3Å; F186-P707 HydrophobicContact CZ-CB 4.47Å |
| 187 | I | 93.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 132 | -176.4 | -62.8 | 164.2 | 0 | 0 | 0 | 109 | I190 V198 M201 F216 V219 Y251 G255 F257 | I187-I190 HydrophobicContact CD1-CD1 4.34Å; I187-I190 HydrophobicContact CG2-CD1 4.22Å; I187-I190 HydrophobicContact CG2-CG1 3.71Å; I187-V198 HydrophobicContact CG1-CG1 4.09Å; I187-V198 HydrophobicContact CG2-CG1 4.11Å; I187-M201 WeakPolarHBondContact O-CE 3.11Å; I187-F216 HydrophobicContact CD1-CD1 3.52Å; I187-F216 HydrophobicContact CD1-CE1 3.65Å; I187-V219 HydrophobicContact CD1-CG2 4.05Å; I187-Y251 HydrophobicContact CG2-CE2 4.24Å; I187-Y251 PolarHBondContact O-OH 3.04Å; I187-G255 PolarHBondContact N-O 2.67Å; I187-F257 HydrophobicContact CD1-CD1 4.26Å; I187-F257 HydrophobicContact CG1-CD1 3.9Å |
| 188 | Q | 92.2 | Very high | 91.9 | Very high | 98 Ų | 98 | 54.5 Ų | 54.5 | 46% | 0.458 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -51.8 | 170.2 | -168.2 | 171.6 | 7.5 | 0 | 0 | 110.7 | T199 C200 Y251 | Q188-T199 HydrophobicContact CB-CG2 4.43Å; Q188-T199 WeakPolarHBondContact CB-O 3.3Å; Q188-T199 PolarHBondContact N-O 3.13Å; Q188-C200 PolarHBondContact OE1-O 3.32Å; Q188-Y251 VanDerWaalsContact O-CE1 3.29Å; Q188-Y251 WeakPolarHBondContact O-CE1 3.49Å; Q188-Y251 PolarHBondContact O-OH 2.99Å |
| 189 | S | 93.6 | Very high | 92.2 | Very high | 44 Ų | 44 | 53.4 Ų | 53.4 | 31% | 0.308 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 157 | -177.6 | 62.4 | 0 | 0 | 0 | 0 | 112.4 | T199 | S189-T199 PolarHBondContact O-N 2.99Å |
| 190 | I | 96.4 | Very high | 92.4 | Very high | 9 Ų | 9 | 52.1 Ų | 52.1 | 5% | 0.046 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 124.3 | 170.2 | -49 | -179.9 | 0 | 0 | 0 | 108.2 | I187 I197 V198 V219 M222 L225 I242 Y251 | I187-I190 HydrophobicContact CD1-CD1 4.34Å; I187-I190 HydrophobicContact CG2-CD1 4.22Å; I187-I190 HydrophobicContact CG2-CG1 3.71Å; I190-I197 CarbonylContact C-O 3.59Å; I190-I197 VanDerWaalsContact CA-O 3.3Å; I190-I197 WeakPolarHBondContact CA-O 3.41Å; I190-V198 HydrophobicContact CG1-CG2 4.29Å; I190-V198 HydrophobicContact CG2-CG2 4.25Å; I190-V219 HydrophobicContact CD1-CG1 3.83Å; I190-V219 HydrophobicContact CD1-CG2 4.35Å; I190-M222 HydrophobicContact CB-CE 4.43Å; I190-M222 HydrophobicContact CB-SD 3.72Å; I190-M222 HydrophobicContact CD1-SD 4.41Å; I190-M222 HydrophobicContact CG2-CE 4.25Å; I190-M222 HydrophobicContact CG2-SD 3.52Å; I190-M222 VanDerWaalsContact CG2-SD 3.52Å; I190-L225 HydrophobicContact CD1-CD1 3.71Å; I190-L225 HydrophobicContact CG2-CD1 4.34Å; I190-I242 HydrophobicContact CG2-CD1 4.45Å; I190-Y251 HydrophobicContact CB-CD2 4.1Å; I190-Y251 HydrophobicContact CB-CG 4.25Å; I190-Y251 HydrophobicContact CD1-CD2 4.1Å; I190-Y251 HydrophobicContact CD1-CE2 4.45Å; I190-Y251 HydrophobicContact CG1-CD2 3.86Å; I190-Y251 HydrophobicContact CG1-CE2 4.21Å; I190-Y251 HydrophobicContact CG1-CG 4.45Å; I190-Y251 VanDerWaalsContact O-CB 3.32Å; I190-Y251 WeakPolarHBondContact O-CB 3.34Å |
| 191 | T | 96.9 | Very high | 92.5 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 32% | 0.319 | 26% | 0.255 | S | S | . | . | trans | -75.2 | 145.1 | 176.8 | 64.4 | 0 | 0 | 0 | 0 | 110.9 | N193 I197 T245 | T191-N193 PolarHBondContact O-N 3.19Å; T191-I197 HydrophobicContact CG2-CB 4.15Å; T191-I197 PolarHBondContact N-O 3.27Å; T191-I197 PolarHBondContact OG1-N 2.89Å; T191-T245 PolarHBondContact O-OG1 3.11Å | ||
| 192 | Q | 95.8 | Very high | 92.6 | Very high | 96 Ų | 96 | 51.5 Ų | 51.5 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -91.3 | 83.4 | 171.8 | -174.3 | -171.7 | 38 | 0 | 0 | 108.1 | M222 L248 | Q192-M222 HydrophobicContact CB-CE 3.88Å; Q192-M222 HydrophobicContact CG-CE 4.49Å; Q192-L248 PolarHBondContact NE2-O 3.37Å |
| 193 | N | 94.9 | Very high | 92.5 | Very high | 94 Ų | 94 | 53.4 Ų | 53.4 | 50% | 0.503 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -153.3 | 176.7 | -173 | -158.6 | 0.5 | 0 | 0 | 0 | 111.3 | T191 P195 G196 T245 S246 | T191-N193 PolarHBondContact O-N 3.19Å; N193-P195 CarbonylContact O-C 3.6Å; N193-G196 PolarHBondContact O-N 3.17Å; N193-G196 VanDerWaalsContact O-N 3.09Å; N193-T245 PolarHBondContact N-OG1 3.38Å; N193-T245 PolarHBondContact O-N 3.46Å; N193-T245 PolarHBondContact O-OG1 2.97Å; N193-S246 PolarHBondContact O-N 2.8Å |
| 194 | N | 94 | Very high | 92.6 | Very high | 96 Ų | 96 | 51.9 Ų | 51.9 | 51% | 0.513 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -123.2 | 102.2 | 169.5 | -170.4 | -9.3 | 0 | 0 | 0 | 110 | D244 | N194-D244 HydrophobicContact CB-CB 4.22Å; N194-D244 VanDerWaalsContact ND2-CG 3.3Å; N194-D244 PolarHBondContact ND2-OD2 2.96Å |
| 195 | P | 94.9 | Very high | 92.7 | Very high | 41 Ų | 41 | 53.4 Ų | 53.4 | 27% | 0.266 | 28% | 0.282 | S | S | . | . | S | Bend | cis | -80.1 | 152.2 | 0.2 | 31.6 | -33.1 | 0 | 0 | 0 | 113.3 | N193 E241 G243 | N193-P195 CarbonylContact O-C 3.6Å; P195-E241 HydrophobicContact CB-CB 3.97Å; P195-E241 HydrophobicContact CB-CG 4.12Å; P195-E241 HydrophobicContact CG-CB 4.2Å; P195-E241 HydrophobicContact CG-CG 3.82Å; P195-E241 WeakPolarHBondContact CG-OE1 3.32Å; P195-E241 WeakPolarHBondContact CG-OE2 3.44Å; P195-G243 CarbonylContact C-O 3.58Å; P195-G243 WeakPolarHBondContact CA-O 3.46Å |
| 196 | G | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -73 | 134.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111 | N193 E241 I242 G243 T245 | N193-G196 PolarHBondContact O-N 3.17Å; N193-G196 VanDerWaalsContact O-N 3.09Å; G196-E241 VanDerWaalsContact O-CA 3.31Å; G196-E241 WeakPolarHBondContact O-CA 3.43Å; G196-I242 PolarHBondContact O-N 3.45Å; G196-G243 PolarHBondContact N-O 3.03Å; G196-T245 VanDerWaalsContact CA-OG1 3.25Å; G196-T245 WeakPolarHBondContact CA-OG1 3.46Å | ||
| 197 | I | 97.5 | Very high | 92.6 | Very high | 49 Ų | 49 | 55.3 Ų | 55.3 | 25% | 0.251 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 125.4 | -176.5 | -59.9 | 173 | 0 | 0 | 0 | 108.6 | I190 T191 L235 F240 E241 | I190-I197 CarbonylContact C-O 3.59Å; I190-I197 VanDerWaalsContact CA-O 3.3Å; I190-I197 WeakPolarHBondContact CA-O 3.41Å; T191-I197 HydrophobicContact CG2-CB 4.15Å; T191-I197 PolarHBondContact N-O 3.27Å; T191-I197 PolarHBondContact OG1-N 2.89Å; I197-L235 HydrophobicContact CD1-CD1 4.13Å; I197-L235 HydrophobicContact CG1-CD1 4.09Å; I197-L235 HydrophobicContact CG2-CD1 4.04Å; I197-F240 WeakPolarHBondContact CA-O 3.5Å; I197-E241 HydrophobicContact CG1-CG 4.33Å |
| 198 | V | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 129.5 | 172.7 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | I187 I190 F216 S239 F240 I242 | I187-V198 HydrophobicContact CG1-CG1 4.09Å; I187-V198 HydrophobicContact CG2-CG1 4.11Å; I190-V198 HydrophobicContact CG1-CG2 4.29Å; I190-V198 HydrophobicContact CG2-CG2 4.25Å; V198-F216 HydrophobicContact CG1-CE1 4.37Å; V198-F216 HydrophobicContact CG2-CE1 4.05Å; V198-F216 HydrophobicContact CG2-CZ 3.94Å; V198-S239 WeakPolarHBondContact O-CA 3.22Å; V198-S239 WeakPolarHBondContact O-CB 3.22Å; V198-F240 HydrophobicContact CB-CD1 4.37Å; V198-F240 HydrophobicContact CB-CD2 4.29Å; V198-F240 HydrophobicContact CB-CE1 3.98Å; V198-F240 HydrophobicContact CB-CE2 3.92Å; V198-F240 HydrophobicContact CB-CZ 3.75Å; V198-F240 HydrophobicContact CG1-CE1 3.9Å; V198-F240 HydrophobicContact CG1-CE2 4.36Å; V198-F240 HydrophobicContact CG1-CZ 3.72Å; V198-F240 HydrophobicContact CG2-CD2 4.49Å; V198-F240 HydrophobicContact CG2-CE2 3.96Å; V198-F240 HydrophobicContact CG2-CZ 4.15Å; V198-F240 PolarHBondContact N-O 2.84Å; V198-F240 PolarHBondContact O-N 3.38Å; V198-F240 VanDerWaalsContact O-N 3.07Å; V198-I242 HydrophobicContact CG2-CD1 3.71Å; V198-I242 HydrophobicContact CG2-CG1 4.03Å; V198-I242 HydrophobicContact CG2-CG2 3.99Å |
| 199 | T | 95.9 | Very high | 92.4 | Very high | 34 Ų | 34 | 57.5 Ų | 57.5 | 21% | 0.209 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 130.6 | 174.5 | -55.8 | 0 | 0 | 0 | 0 | 109.6 | Q188 S189 | Q188-T199 HydrophobicContact CB-CG2 4.43Å; Q188-T199 WeakPolarHBondContact CB-O 3.3Å; Q188-T199 PolarHBondContact N-O 3.13Å; S189-T199 PolarHBondContact O-N 2.99Å |
| 200 | C | 93.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 145 | -179.8 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | I185 Q188 N203 R204 H238 | I185-C200 HydrophobicContact CG2-CB 4.32Å; Q188-C200 PolarHBondContact OE1-O 3.32Å; C200-N203 PolarHBondContact O-N 2.98Å; C200-R204 VanDerWaalsContact CB-O 3.27Å; C200-R204 WeakPolarHBondContact CB-O 3.5Å; C200-H238 WeakPolarHBondContact CB-O 3.4Å; C200-H238 PolarHBondContact N-O 2.88Å; C200-H238 PolarHBondContact SG-O 2.94Å |
| 201 | M | 88.9 | Confident | 92 | Very high | 31 Ų | 31 | 60.5 Ų | 60.5 | 15% | 0.153 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -60.2 | 140.5 | 177.5 | -168.3 | 164.8 | -81 | 0 | 0 | 112 | F186 I187 N203 R204 S706 P707 | F186-M201 HydrophobicContact CB-CB 3.92Å; F186-M201 HydrophobicContact CB-CE 4.38Å; F186-M201 HydrophobicContact CB-SD 3.86Å; F186-M201 PolarHBondContact O-N 3.17Å; I187-M201 WeakPolarHBondContact O-CE 3.11Å; M201-N203 PolarHBondContact O-N 2.92Å; M201-N203 VanDerWaalsContact O-N 3.08Å; M201-R204 VanDerWaalsContact O-CB 3.29Å; M201-R204 WeakPolarHBondContact O-CB 3.48Å; M201-R204 PolarHBondContact O-N 2.82Å; M201-S706 WeakPolarHBondContact CE-O 3.45Å; M201-P707 HydrophobicContact SD-CG 4.47Å |
| 202 | D | 85 | Confident | 91.7 | Very high | 141 Ų | 141 | 60.7 Ų | 60.7 | 75% | 0.754 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | 52.8 | 27.6 | 179.3 | -54.2 | -39.7 | 0 | 0 | 0 | 114.6 | R204 | D202-R204 PolarHBondContact O-N 2.94Å; D202-R204 VanDerWaalsContact O-N 3.13Å |
| 203 | N | 82.1 | Confident | 91.6 | Very high | 100 Ų | 100 | 57.6 Ų | 57.6 | 54% | 0.535 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | 53 | 28.2 | -171.9 | -63.2 | -41.9 | 0 | 0 | 0 | 113.4 | C200 M201 H238 | C200-N203 PolarHBondContact O-N 2.98Å; M201-N203 PolarHBondContact O-N 2.92Å; M201-N203 VanDerWaalsContact O-N 3.08Å; N203-H238 PolarHBondContact O-CE1 2.99Å; N203-H238 PolarHBondContact O-ND1 3.25Å |
| 204 | R | 85.6 | Confident | 91.7 | Very high | 117 Ų | 117 | 53.1 Ų | 53.1 | 44% | 0.442 | 30% | 0.3 | S | S | . | . | trans | -62.2 | 132.9 | 177.1 | -167.4 | 178.2 | -169.1 | 179.9 | 7.8 | 109.6 | C200 M201 D202 H206 | C200-R204 VanDerWaalsContact CB-O 3.27Å; C200-R204 WeakPolarHBondContact CB-O 3.5Å; M201-R204 VanDerWaalsContact O-CB 3.29Å; M201-R204 WeakPolarHBondContact O-CB 3.48Å; M201-R204 PolarHBondContact O-N 2.82Å; D202-R204 PolarHBondContact O-N 2.94Å; D202-R204 VanDerWaalsContact O-N 3.13Å; R204-H206 PolarHBondContact O-N 3.05Å | ||
| 205 | P | 91 | Very high | 91.7 | Very high | 85 Ų | 85 | 50.4 Ų | 50.4 | 55% | 0.552 | 29% | 0.285 | S | S | * | . | trans | -67.3 | 134.8 | 178.4 | 26.3 | -33.5 | 0 | 0 | 0 | 111.3 | P237 | P205-P237 CarbonylContact C-O 3.48Å; P205-P237 WeakPolarHBondContact CA-O 3.26Å; P205-P237 HydrophobicContact CB-CB 4.45Å | ||
| 206 | H | 91.3 | Very high | 91.7 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 5% | 0.046 | 27% | 0.273 | C | S | . | . | trans | -85.3 | -19 | -175.7 | 51.6 | 54.6 | 0 | 0 | 0 | 115.2 | I185 R204 L208 S236 P237 S239 F240 F257 | I185-H206 HydrophobicContact CD1-CB 4.04Å; I185-H206 WeakPolarHBondContact CD1-O 3.44Å; R204-H206 PolarHBondContact O-N 3.05Å; H206-L208 HydrophobicContact CB-CD1 4.28Å; H206-L208 HydrophobicContact CB-CG 4.06Å; H206-L208 PolarHBondContact ND1-N 2.82Å; H206-L208 PolarHBondContact O-N 2.97Å; H206-S236 PolarHBondContact CE1-O 3.49Å; H206-S236 PolarHBondContact NE2-O 3.11Å; H206-P237 PolarHBondContact CD2-O 2.82Å; H206-P237 VanDerWaalsContact CD2-O 3.28Å; H206-P237 PolarHBondContact N-O 2.84Å; H206-P237 PolarHBondContact NE2-O 3.38Å; H206-S239 PolarHBondContact NE2-N 2.89Å; H206-S239 PolarHBondContact NE2-O 3.27Å; H206-F240 AromaticContact CD2-CD1 3.6Å; H206-F240 AromaticContact NE2-CD1 3.92Å; H206-F257 HydrophobicContact CB-CE2 4.41Å; H206-F257 HydrophobicContact CB-CZ 3.81Å | ||
| 207 | G | 88.6 | Confident | 91.5 | Very high | 64 Ų | 64 | 53.2 Ų | 53.2 | 66% | 0.66 | 29% | 0.291 | S | S | * | . | trans | 66.5 | 2.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 208 | L | 90.8 | Very high | 91.1 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 7% | 0.068 | 29% | 0.294 | C | S | . | . | trans | -68.6 | 156.7 | 172.8 | -50.6 | 176.6 | 0 | 0 | 0 | 112.5 | H206 V214 V232 V234 F240 F257 M259 | H206-L208 HydrophobicContact CB-CD1 4.28Å; H206-L208 HydrophobicContact CB-CG 4.06Å; H206-L208 PolarHBondContact ND1-N 2.82Å; H206-L208 PolarHBondContact O-N 2.97Å; L208-V214 HydrophobicContact CD1-CG1 3.77Å; L208-V214 HydrophobicContact CD2-CG1 3.84Å; L208-V214 HydrophobicContact CG-CG1 4.48Å; L208-V232 HydrophobicContact CB-CG1 4.3Å; L208-V232 HydrophobicContact CD1-CG1 3.94Å; L208-V232 HydrophobicContact CD1-CG2 4.11Å; L208-V234 HydrophobicContact CB-CG2 4.31Å; L208-F240 HydrophobicContact CD1-CD1 3.9Å; L208-F240 HydrophobicContact CD1-CD2 4.45Å; L208-F240 HydrophobicContact CD1-CE1 3.74Å; L208-F240 HydrophobicContact CD1-CE2 4.28Å; L208-F240 HydrophobicContact CD1-CG 4.26Å; L208-F240 HydrophobicContact CD1-CZ 3.93Å; L208-F257 HydrophobicContact CD1-CD2 4.43Å; L208-F257 HydrophobicContact CD1-CE2 3.7Å; L208-F257 HydrophobicContact CD1-CZ 4.17Å; L208-F257 HydrophobicContact CD2-CE2 4.19Å; L208-F257 HydrophobicContact CG-CE2 4.18Å; L208-M259 HydrophobicContact CD2-CB 4.23Å; L208-M259 HydrophobicContact CD2-CE 3.48Å; L208-M259 VanDerWaalsContact CD2-CE 3.48Å; L208-M259 HydrophobicContact CD2-CG 4.32Å | ||
| 209 | Q | 90.1 | Very high | 90.8 | Very high | 132 Ų | 132 | 54.2 Ų | 54.2 | 62% | 0.617 | 29% | 0.294 | S | S | * | . | trans | -119.1 | 154.2 | 167.4 | -60.4 | -179.9 | -6.9 | 0 | 0 | 109.7 | G211 H212 | Q209-G211 PolarHBondContact O-N 2.98Å; Q209-H212 PolarHBondContact N-ND1 2.82Å; Q209-H212 VanDerWaalsContact O-CB 3.3Å; Q209-H212 WeakPolarHBondContact O-CB 3.25Å; Q209-H212 VanDerWaalsContact O-CG 3.31Å; Q209-H212 PolarHBondContact O-N 3.4Å | ||
| 210 | T | 92.7 | Very high | 90.5 | Very high | 90 Ų | 90 | 57 Ų | 57 | 55% | 0.552 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 127.7 | 176.5 | -67.2 | 0 | 0 | 0 | 0 | 110.3 | V232 T233 V234 | T210-V232 WeakPolarHBondContact CA-O 3.05Å; T210-T233 HydrophobicContact CG2-CG2 4.2Å; T210-V234 PolarHBondContact OG1-N 3.4Å |
| 211 | G | 89.1 | Confident | 90.3 | Very high | 25 Ų | 25 | 58.1 Ų | 58.1 | 26% | 0.258 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.7 | -13.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q209 V232 | Q209-G211 PolarHBondContact O-N 2.98Å; G211-V232 PolarHBondContact N-O 3.28Å |
| 212 | H | 90.9 | Very high | 90.6 | Very high | 56 Ų | 56 | 56.8 Ų | 56.8 | 26% | 0.259 | 31% | 0.31 | S | S | . | . | trans | -64.6 | 155.7 | 173.3 | -71.9 | -173.4 | 0 | 0 | 0 | 111.9 | Q209 R231 V232 M259 | Q209-H212 PolarHBondContact N-ND1 2.82Å; Q209-H212 VanDerWaalsContact O-CB 3.3Å; Q209-H212 WeakPolarHBondContact O-CB 3.25Å; Q209-H212 VanDerWaalsContact O-CG 3.31Å; Q209-H212 PolarHBondContact O-N 3.4Å; H212-R231 WeakPolarHBondContact O-CA 3.42Å; H212-V232 WeakPolarHBondContact O-CB 3.2Å; H212-V232 PolarHBondContact O-N 2.7Å; H212-M259 WeakPolarHBondContact ND1-CE 3.38Å | ||
| 213 | N | 93.6 | Very high | 91 | Very high | 32 Ų | 32 | 54.7 Ų | 54.7 | 17% | 0.171 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 141.5 | 174.6 | -75 | -21.4 | 0 | 0 | 0 | 110.1 | V229 R230 V260 N262 | N213-V229 HydrophobicContact CB-CG1 3.66Å; N213-R230 CarbonylContact C-O 3.6Å; N213-R230 WeakPolarHBondContact CA-O 3.31Å; N213-V260 HydrophobicContact CB-CB 4.1Å; N213-V260 PolarHBondContact O-N 3.03Å; N213-N262 PolarHBondContact ND2-ND2 3.23Å; N213-N262 PolarHBondContact ND2-OD1 3Å |
| 214 | V | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 150.3 | 173.7 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | L208 F216 V229 R230 V232 F240 F257 V258 | L208-V214 HydrophobicContact CD1-CG1 3.77Å; L208-V214 HydrophobicContact CD2-CG1 3.84Å; L208-V214 HydrophobicContact CG-CG1 4.48Å; V214-F216 HydrophobicContact CG2-CD2 4.47Å; V214-F216 HydrophobicContact CG2-CE2 3.64Å; V214-F216 HydrophobicContact CG2-CZ 3.86Å; V214-V229 CarbonylContact O-C 3.57Å; V214-V229 VanDerWaalsContact O-CA 3.32Å; V214-V229 WeakPolarHBondContact O-CA 3.38Å; V214-R230 HydrophobicContact CG2-CB 4.47Å; V214-R230 PolarHBondContact N-O 3.39Å; V214-R230 PolarHBondContact O-N 2.96Å; V214-V232 HydrophobicContact CB-CG2 4.32Å; V214-V232 HydrophobicContact CG1-CG2 3.78Å; V214-V232 HydrophobicContact CG2-CG2 3.69Å; V214-F240 HydrophobicContact CG2-CE2 4.15Å; V214-F257 HydrophobicContact CB-CB 4.31Å; V214-F257 HydrophobicContact CB-CD2 4.09Å; V214-F257 HydrophobicContact CG1-CD2 3.78Å; V214-F257 HydrophobicContact CG1-CE2 4.31Å; V214-V258 CarbonylContact C-O 3.35Å; V214-V258 VanDerWaalsContact CA-O 3.28Å; V214-V258 WeakPolarHBondContact CA-O 3.31Å |
| 215 | I | 95.7 | Very high | 91.9 | Very high | 39 Ų | 39 | 47.1 Ų | 47.1 | 20% | 0.2 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 135.3 | 171.8 | -170 | 167.8 | 0 | 0 | 0 | 109.7 | F257 V258 V260 | I215-F257 CarbonylContact O-C 3.59Å; I215-F257 VanDerWaalsContact O-CA 3.22Å; I215-F257 WeakPolarHBondContact O-CA 3.28Å; I215-V258 HydrophobicContact CG2-CB 4.15Å; I215-V258 PolarHBondContact N-O 3.31Å; I215-V258 PolarHBondContact O-N 3.16Å; I215-V260 HydrophobicContact CB-CG2 3.9Å; I215-V260 HydrophobicContact CG2-CG2 3.92Å |
| 216 | F | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 144.4 | -179.4 | -68.5 | -90 | 0 | 0 | 0 | 111.7 | I187 V198 V214 V219 L225 N226 G227 R230 F240 I242 F257 | I187-F216 HydrophobicContact CD1-CD1 3.52Å; I187-F216 HydrophobicContact CD1-CE1 3.65Å; V198-F216 HydrophobicContact CG1-CE1 4.37Å; V198-F216 HydrophobicContact CG2-CE1 4.05Å; V198-F216 HydrophobicContact CG2-CZ 3.94Å; V214-F216 HydrophobicContact CG2-CD2 4.47Å; V214-F216 HydrophobicContact CG2-CE2 3.64Å; V214-F216 HydrophobicContact CG2-CZ 3.86Å; F216-V219 HydrophobicContact CB-CG2 4.04Å; F216-V219 HydrophobicContact CD1-CG2 4.07Å; F216-V219 HydrophobicContact CG-CG2 4.49Å; F216-L225 HydrophobicContact CB-CB 4.28Å; F216-L225 HydrophobicContact CG-CB 4.43Å; F216-N226 WeakPolarHBondContact O-CA 3.32Å; F216-G227 PolarHBondContact O-N 3.04Å; F216-R230 HydrophobicContact CD2-CG 4.17Å; F216-R230 HydrophobicContact CE2-CB 4.02Å; F216-R230 HydrophobicContact CE2-CG 3.85Å; F216-F240 HydrophobicContact CZ-CE2 4.24Å; F216-F240 HydrophobicContact CZ-CZ 4.41Å; F216-I242 HydrophobicContact CE2-CD1 3.96Å; F216-I242 HydrophobicContact CE2-CG2 4.1Å; F216-I242 HydrophobicContact CZ-CD1 3.82Å; F216-I242 HydrophobicContact CZ-CG2 3.87Å; F216-F257 HydrophobicContact CD1-CB 3.99Å; F216-F257 HydrophobicContact CE1-CB 3.91Å; F216-F257 HydrophobicContact CE1-CD1 4.49Å; F216-F257 HydrophobicContact CZ-CB 4.37Å |
| 217 | R | 91.3 | Very high | 92.1 | Very high | 100 Ų | 100 | 47.8 Ų | 47.8 | 38% | 0.377 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 150.8 | 173.8 | -62.2 | -178 | -178.7 | -174.9 | -1.3 | 109.6 | V219 N226 G255 F256 E847 | R217-V219 PolarHBondContact O-N 3.19Å; R217-V219 VanDerWaalsContact O-N 3.14Å; R217-N226 WeakPolarHBondContact CA-OD1 3.42Å; R217-G255 CarbonylContact O-C 3.38Å; R217-G255 WeakPolarHBondContact O-CA 3.45Å; R217-F256 HydrophobicContact CB-CD1 4.37Å; R217-F256 HydrophobicContact CB-CE1 3.83Å; R217-F256 HydrophobicContact CB-CE2 4Å; R217-F256 HydrophobicContact CB-CZ 3.65Å; R217-F256 HydrophobicContact CG-CE2 4.33Å; R217-F256 HydrophobicContact CG-CZ 4.24Å; R217-F256 PolarHBondContact N-O 3.05Å; R217-F256 PolarHBondContact O-N 3.32Å; R217-E847 IonicContact NH1-OE2 3.71Å; R217-E847 PolarHBondContact NH1-OE2 3.37Å |
| 218 | E | 88.6 | Confident | 92.2 | Very high | 68 Ų | 68 | 46.8 Ų | 46.8 | 32% | 0.318 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 57.7 | 23.7 | 175 | -60.1 | 175.5 | -165.1 | 0 | 0 | 115.8 | H220 N226 G254 G255 F256 R709 | E218-H220 PolarHBondContact O-CD2 3.32Å; E218-H220 PolarHBondContact O-N 2.94Å; E218-N226 PolarHBondContact N-OD1 2.88Å; E218-G254 CarbonylContact O-C 3.51Å; E218-G255 WeakPolarHBondContact O-CA 3.28Å; E218-G255 PolarHBondContact O-N 3.32Å; E218-F256 HydrophobicContact CB-CD1 4.44Å; E218-F256 HydrophobicContact CB-CE1 4.36Å; E218-F256 HydrophobicContact CG-CE1 4.04Å; E218-R709 IonicContact OE1-CZ 2.73Å; E218-R709 IonicContact OE1-NH1 2.77Å; E218-R709 PolarHBondContact OE1-NH1 3.46Å; E218-R709 IonicContact OE1-NH2 2.73Å; E218-R709 PolarHBondContact OE1-NH2 3.39Å; E218-R709 IonicContact OE2-CZ 3.01Å; E218-R709 VanDerWaalsContact OE2-CZ 3.29Å; E218-R709 IonicContact OE2-NH1 3.15Å; E218-R709 PolarHBondContact OE2-NH1 2.95Å; E218-R709 IonicContact OE2-NH2 3.4Å; E218-R709 PolarHBondContact OE2-NH2 3.37Å; E218-R709 VanDerWaalsContact OE2-NH2 3.16Å |
| 219 | V | 91.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | trans | -77.3 | 115.6 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | I187 I190 F216 R217 M222 N226 Y251 | I187-V219 HydrophobicContact CD1-CG2 4.05Å; I190-V219 HydrophobicContact CD1-CG1 3.83Å; I190-V219 HydrophobicContact CD1-CG2 4.35Å; F216-V219 HydrophobicContact CB-CG2 4.04Å; F216-V219 HydrophobicContact CD1-CG2 4.07Å; F216-V219 HydrophobicContact CG-CG2 4.49Å; R217-V219 PolarHBondContact O-N 3.19Å; R217-V219 VanDerWaalsContact O-N 3.14Å; V219-M222 HydrophobicContact CG1-CB 3.83Å; V219-N226 WeakPolarHBondContact CB-OD1 3.45Å; V219-N226 PolarHBondContact N-OD1 3.44Å; V219-N226 PolarHBondContact O-ND2 2.84Å; V219-Y251 HydrophobicContact CG1-CD2 4.02Å; V219-Y251 HydrophobicContact CG1-CE2 4.27Å | ||
| 220 | H | 89.1 | Confident | 92.6 | Very high | 92 Ų | 92 | 46.7 Ų | 46.7 | 43% | 0.426 | 27% | 0.273 | S | S | . | . | B | Isolated β-bridge | trans | -95.2 | 148.6 | 175.6 | -59.8 | -92.1 | 0 | 0 | 0 | 111.2 | E218 M222 A252 H253 | E218-H220 PolarHBondContact O-CD2 3.32Å; E218-H220 PolarHBondContact O-N 2.94Å; H220-M222 PolarHBondContact O-N 3.09Å; H220-M222 VanDerWaalsContact O-N 3.17Å; H220-A252 HydrophobicContact CB-CB 4.41Å; H220-A252 PolarHBondContact O-N 3.49Å; H220-H253 WeakPolarHBondContact CB-O 3.46Å; H220-H253 AromaticContact CD2-CE1 3.93Å; H220-H253 AromaticContact CD2-ND1 3.98Å; H220-H253 AromaticContact CG-CE1 3.9Å; H220-H253 PolarHBondContact N-O 3.42Å |
| 221 | G | 91 | Very high | 92.7 | Very high | 25 Ų | 25 | 51 Ų | 51 | 26% | 0.258 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 84 | -60.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V223 Q249 P250 | G221-V223 PolarHBondContact O-N 3.2Å; G221-Q249 WeakPolarHBondContact O-CB 3.22Å; G221-P250 CarbonylContact C-O 3.59Å; G221-P250 WeakPolarHBondContact CA-O 3.4Å |
| 222 | M | 94.3 | Very high | 93 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | trans | -90.9 | 53.7 | 177.1 | -71.7 | 179.8 | 178.6 | 0 | 0 | 113.4 | I190 Q192 V219 H220 A224 L225 L248 Q249 | I190-M222 HydrophobicContact CB-CE 4.43Å; I190-M222 HydrophobicContact CB-SD 3.72Å; I190-M222 HydrophobicContact CD1-SD 4.41Å; I190-M222 HydrophobicContact CG2-CE 4.25Å; I190-M222 HydrophobicContact CG2-SD 3.52Å; I190-M222 VanDerWaalsContact CG2-SD 3.52Å; Q192-M222 HydrophobicContact CB-CE 3.88Å; Q192-M222 HydrophobicContact CG-CE 4.49Å; V219-M222 HydrophobicContact CG1-CB 3.83Å; H220-M222 PolarHBondContact O-N 3.09Å; H220-M222 VanDerWaalsContact O-N 3.17Å; M222-A224 PolarHBondContact O-N 3.19Å; M222-L225 HydrophobicContact CB-CD1 3.84Å; M222-L225 HydrophobicContact CB-CG 4.24Å; M222-L225 HydrophobicContact CG-CD1 4.47Å; M222-L225 WeakPolarHBondContact O-CB 3.34Å; M222-L225 PolarHBondContact O-N 2.84Å; M222-L225 HydrophobicContact SD-CD1 3.93Å; M222-L248 HydrophobicContact CG-CB 4.18Å; M222-Q249 WeakPolarHBondContact CG-O 3.2Å | ||
| 223 | V | 93.5 | Very high | 93.2 | Very high | 98 Ų | 98 | 50.2 Ų | 50.2 | 59% | 0.594 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -58.6 | -28.2 | -170.1 | -64.2 | 0 | 0 | 0 | 0 | 114.8 | G221 L225 N226 | G221-V223 PolarHBondContact O-N 3.2Å; V223-L225 PolarHBondContact O-N 2.75Å; V223-N226 WeakPolarHBondContact O-CB 3.42Å; V223-N226 PolarHBondContact O-N 2.76Å; V223-N226 VanDerWaalsContact O-N 3.12Å; V223-N226 PolarHBondContact O-ND2 3.29Å |
| 224 | A | 92.6 | Very high | 93.4 | Very high | 58 Ų | 58 | 50.7 Ų | 50.7 | 48% | 0.479 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -69.2 | -12 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | M222 T228 L248 | M222-A224 PolarHBondContact O-N 3.19Å; A224-T228 VanDerWaalsContact O-CG2 3.23Å; A224-T228 WeakPolarHBondContact O-CG2 3.28Å; A224-L248 HydrophobicContact CB-CD2 4.01Å |
| 225 | L | 93.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -74.4 | -28.8 | 170.5 | -71.9 | 176.7 | 0 | 0 | 0 | 112.1 | I190 F216 M222 V223 G227 T228 I242 L248 | I190-L225 HydrophobicContact CD1-CD1 3.71Å; I190-L225 HydrophobicContact CG2-CD1 4.34Å; F216-L225 HydrophobicContact CB-CB 4.28Å; F216-L225 HydrophobicContact CG-CB 4.43Å; M222-L225 HydrophobicContact CB-CD1 3.84Å; M222-L225 HydrophobicContact CB-CG 4.24Å; M222-L225 HydrophobicContact CG-CD1 4.47Å; M222-L225 WeakPolarHBondContact O-CB 3.34Å; M222-L225 PolarHBondContact O-N 2.84Å; M222-L225 HydrophobicContact SD-CD1 3.93Å; V223-L225 PolarHBondContact O-N 2.75Å; L225-G227 PolarHBondContact O-N 3.42Å; L225-T228 WeakPolarHBondContact O-CB 3.49Å; L225-T228 PolarHBondContact O-N 3.21Å; L225-T228 PolarHBondContact O-OG1 2.92Å; L225-I242 HydrophobicContact CD1-CD1 4.06Å; L225-I242 HydrophobicContact CD2-CD1 4.07Å; L225-L248 HydrophobicContact CD1-CD1 4.16Å; L225-L248 HydrophobicContact CD2-CD1 3.78Å; L225-L248 HydrophobicContact CG-CD1 3.68Å |
| 226 | N | 93.9 | Very high | 93.3 | Very high | 54 Ų | 54 | 54.6 Ų | 54.6 | 29% | 0.289 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -62.6 | 130.3 | -175.1 | -65.9 | -48.4 | 0 | 0 | 0 | 111.5 | F216 R217 E218 V219 V223 T228 | F216-N226 WeakPolarHBondContact O-CA 3.32Å; R217-N226 WeakPolarHBondContact CA-OD1 3.42Å; E218-N226 PolarHBondContact N-OD1 2.88Å; V219-N226 WeakPolarHBondContact CB-OD1 3.45Å; V219-N226 PolarHBondContact N-OD1 3.44Å; V219-N226 PolarHBondContact O-ND2 2.84Å; V223-N226 WeakPolarHBondContact O-CB 3.42Å; V223-N226 PolarHBondContact O-N 2.76Å; V223-N226 VanDerWaalsContact O-N 3.12Å; V223-N226 PolarHBondContact O-ND2 3.29Å; N226-T228 PolarHBondContact O-N 2.94Å |
| 227 | G | 92.1 | Very high | 93.3 | Very high | 54 Ų | 54 | 58.4 Ų | 58.4 | 56% | 0.557 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | -2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | F216 L225 | F216-G227 PolarHBondContact O-N 3.04Å; L225-G227 PolarHBondContact O-N 3.42Å |
| 228 | T | 91.3 | Very high | 93.5 | Very high | 44 Ų | 44 | 56.7 Ų | 56.7 | 27% | 0.27 | 32% | 0.322 | S | S | . | . | trans | -91.8 | 139.6 | 177.3 | 70.8 | 0 | 0 | 0 | 0 | 111.5 | A224 L225 N226 R230 | A224-T228 VanDerWaalsContact O-CG2 3.23Å; A224-T228 WeakPolarHBondContact O-CG2 3.28Å; L225-T228 WeakPolarHBondContact O-CB 3.49Å; L225-T228 PolarHBondContact O-N 3.21Å; L225-T228 PolarHBondContact O-OG1 2.92Å; N226-T228 PolarHBondContact O-N 2.94Å; T228-R230 PolarHBondContact OG1-NE 3.43Å | ||
| 229 | V | 94.3 | Very high | 93.9 | Very high | 76 Ų | 76 | 54.5 Ų | 54.5 | 46% | 0.461 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 128 | 173.7 | -178.3 | 0 | 0 | 0 | 0 | 109 | N213 V214 V260 | N213-V229 HydrophobicContact CB-CG1 3.66Å; V214-V229 CarbonylContact O-C 3.57Å; V214-V229 VanDerWaalsContact O-CA 3.32Å; V214-V229 WeakPolarHBondContact O-CA 3.38Å; V229-V260 HydrophobicContact CG1-CG2 4.43Å; V229-V260 HydrophobicContact CG2-CG2 4.32Å |
| 230 | R | 94.6 | Very high | 94.2 | Very high | 67 Ų | 67 | 54.4 Ų | 54.4 | 25% | 0.253 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 138.1 | 178.5 | -60 | -65.2 | -179.4 | 151.1 | -3.5 | 110.5 | N213 V214 F216 T228 I242 | N213-R230 CarbonylContact C-O 3.6Å; N213-R230 WeakPolarHBondContact CA-O 3.31Å; V214-R230 HydrophobicContact CG2-CB 4.47Å; V214-R230 PolarHBondContact N-O 3.39Å; V214-R230 PolarHBondContact O-N 2.96Å; F216-R230 HydrophobicContact CD2-CG 4.17Å; F216-R230 HydrophobicContact CE2-CB 4.02Å; F216-R230 HydrophobicContact CE2-CG 3.85Å; T228-R230 PolarHBondContact OG1-NE 3.43Å; R230-I242 HydrophobicContact CB-CB 3.9Å; R230-I242 HydrophobicContact CB-CG2 4.08Å; R230-I242 HydrophobicContact CG-CB 4.21Å |
| 231 | R | 95 | Very high | 94.6 | Very high | 180 Ų | 180 | 52.5 Ų | 52.5 | 68% | 0.679 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 139.1 | 172.6 | -166.9 | 175.5 | -174 | -169.8 | -3.4 | 109.6 | H212 | H212-R231 WeakPolarHBondContact O-CA 3.42Å |
| 232 | V | 94.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -104.2 | 135.3 | -169.7 | 173 | 0 | 0 | 0 | 0 | 111.4 | L208 T210 G211 H212 V214 V234 F240 E241 | L208-V232 HydrophobicContact CB-CG1 4.3Å; L208-V232 HydrophobicContact CD1-CG1 3.94Å; L208-V232 HydrophobicContact CD1-CG2 4.11Å; T210-V232 WeakPolarHBondContact CA-O 3.05Å; G211-V232 PolarHBondContact N-O 3.28Å; H212-V232 WeakPolarHBondContact O-CB 3.2Å; H212-V232 PolarHBondContact O-N 2.7Å; V214-V232 HydrophobicContact CB-CG2 4.32Å; V214-V232 HydrophobicContact CG1-CG2 3.78Å; V214-V232 HydrophobicContact CG2-CG2 3.69Å; V232-V234 HydrophobicContact CG1-CG2 4.08Å; V232-F240 HydrophobicContact CB-CD2 4.23Å; V232-F240 HydrophobicContact CG1-CB 3.65Å; V232-F240 HydrophobicContact CG1-CD2 3.6Å; V232-F240 HydrophobicContact CG1-CE2 4.4Å; V232-F240 HydrophobicContact CG1-CG 3.74Å; V232-F240 HydrophobicContact CG2-CD2 3.81Å; V232-F240 HydrophobicContact CG2-CE2 3.87Å; V232-E241 WeakPolarHBondContact CA-O 3.48Å | ||
| 233 | T | 96.6 | Very high | 94.7 | Very high | 65 Ų | 65 | 53 Ų | 53 | 40% | 0.399 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 114.3 | 162 | -56.2 | 0 | 0 | 0 | 0 | 108.9 | T210 F240 E241 | T210-T233 HydrophobicContact CG2-CG2 4.2Å; T233-F240 CarbonylContact O-C 3.46Å; T233-F240 VanDerWaalsContact O-CA 3.3Å; T233-F240 WeakPolarHBondContact O-CA 3.28Å; T233-F240 WeakPolarHBondContact O-CB 3.48Å; T233-E241 PolarHBondContact N-O 3.34Å; T233-E241 VanDerWaalsContact N-O 3.13Å; T233-E241 PolarHBondContact O-N 2.9Å |
| 234 | V | 96.4 | Very high | 94.8 | Very high | 42 Ų | 42 | 51.5 Ų | 51.5 | 26% | 0.255 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 129.8 | -175.5 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | L208 T210 V232 S236 | L208-V234 HydrophobicContact CB-CG2 4.31Å; T210-V234 PolarHBondContact OG1-N 3.4Å; V232-V234 HydrophobicContact CG1-CG2 4.08Å; V234-S236 WeakPolarHBondContact CG1-O 3.3Å |
| 235 | L | 95.1 | Very high | 94.9 | Very high | 83 Ų | 83 | 48.7 Ų | 48.7 | 44% | 0.435 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -41.8 | 176.6 | -63.9 | 179.2 | 0 | 0 | 0 | 112 | I197 S239 E241 | I197-L235 HydrophobicContact CD1-CD1 4.13Å; I197-L235 HydrophobicContact CG1-CD1 4.09Å; I197-L235 HydrophobicContact CG2-CD1 4.04Å; L235-S239 WeakPolarHBondContact CB-O 3.26Å; L235-S239 PolarHBondContact N-O 3.01Å; L235-E241 HydrophobicContact CD1-CG 3.7Å; L235-E241 HydrophobicContact CD2-CG 4Å; L235-E241 HydrophobicContact CG-CG 3.9Å |
| 236 | S | 95.5 | Very high | 95 | Very high | 37 Ų | 37 | 51.3 Ų | 51.3 | 26% | 0.259 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 175.1 | 177.7 | 77.3 | 0 | 0 | 0 | 0 | 108.8 | H206 V234 H238 S239 | H206-S236 PolarHBondContact CE1-O 3.49Å; H206-S236 PolarHBondContact NE2-O 3.11Å; V234-S236 WeakPolarHBondContact CG1-O 3.3Å; S236-H238 PolarHBondContact O-N 3.44Å; S236-H238 PolarHBondContact OG-N 2.81Å; S236-S239 PolarHBondContact N-O 3.36Å; S236-S239 VanDerWaalsContact N-O 3.1Å; S236-S239 PolarHBondContact O-N 3.15Å; S236-S239 PolarHBondContact OG-N 3.21Å; S236-S239 VanDerWaalsContact OG-N 3.12Å; S236-S239 PolarHBondContact OG-OG 3.5Å |
| 237 | P | 94.7 | Very high | 94.9 | Very high | 80 Ų | 80 | 57.4 Ų | 57.4 | 52% | 0.519 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -15.4 | 173.9 | -21.3 | 33 | 0 | 0 | 0 | 113.8 | P205 H206 | P205-P237 CarbonylContact C-O 3.48Å; P205-P237 WeakPolarHBondContact CA-O 3.26Å; P205-P237 HydrophobicContact CB-CB 4.45Å; H206-P237 PolarHBondContact CD2-O 2.82Å; H206-P237 VanDerWaalsContact CD2-O 3.28Å; H206-P237 PolarHBondContact N-O 2.84Å; H206-P237 PolarHBondContact NE2-O 3.38Å |
| 238 | H | 96.1 | Very high | 95 | Very high | 64 Ų | 64 | 56.4 Ų | 56.4 | 30% | 0.296 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | -3.9 | -171.3 | -29.2 | -55.8 | 0 | 0 | 0 | 113.3 | C200 N203 S236 | C200-H238 WeakPolarHBondContact CB-O 3.4Å; C200-H238 PolarHBondContact N-O 2.88Å; C200-H238 PolarHBondContact SG-O 2.94Å; N203-H238 PolarHBondContact O-CE1 2.99Å; N203-H238 PolarHBondContact O-ND1 3.25Å; S236-H238 PolarHBondContact O-N 3.44Å; S236-H238 PolarHBondContact OG-N 2.81Å |
| 239 | S | 96.4 | Very high | 95.1 | Very high | 22 Ų | 22 | 61 Ų | 61 | 15% | 0.154 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 148.8 | -175.3 | 63.9 | 0 | 0 | 0 | 0 | 113.6 | V198 H206 L235 S236 | V198-S239 WeakPolarHBondContact O-CA 3.22Å; V198-S239 WeakPolarHBondContact O-CB 3.22Å; H206-S239 PolarHBondContact NE2-N 2.89Å; H206-S239 PolarHBondContact NE2-O 3.27Å; L235-S239 WeakPolarHBondContact CB-O 3.26Å; L235-S239 PolarHBondContact N-O 3.01Å; S236-S239 PolarHBondContact N-O 3.36Å; S236-S239 VanDerWaalsContact N-O 3.1Å; S236-S239 PolarHBondContact O-N 3.15Å; S236-S239 PolarHBondContact OG-N 3.21Å; S236-S239 VanDerWaalsContact OG-N 3.12Å; S236-S239 PolarHBondContact OG-OG 3.5Å |
| 240 | F | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 161.6 | -176.4 | 62.7 | -89.1 | 0 | 0 | 0 | 113.2 | I197 V198 H206 L208 V214 F216 V232 T233 I242 F257 | I197-F240 WeakPolarHBondContact CA-O 3.5Å; V198-F240 HydrophobicContact CB-CD1 4.37Å; V198-F240 HydrophobicContact CB-CD2 4.29Å; V198-F240 HydrophobicContact CB-CE1 3.98Å; V198-F240 HydrophobicContact CB-CE2 3.92Å; V198-F240 HydrophobicContact CB-CZ 3.75Å; V198-F240 HydrophobicContact CG1-CE1 3.9Å; V198-F240 HydrophobicContact CG1-CE2 4.36Å; V198-F240 HydrophobicContact CG1-CZ 3.72Å; V198-F240 HydrophobicContact CG2-CD2 4.49Å; V198-F240 HydrophobicContact CG2-CE2 3.96Å; V198-F240 HydrophobicContact CG2-CZ 4.15Å; V198-F240 PolarHBondContact N-O 2.84Å; V198-F240 PolarHBondContact O-N 3.38Å; V198-F240 VanDerWaalsContact O-N 3.07Å; H206-F240 AromaticContact CD2-CD1 3.6Å; H206-F240 AromaticContact NE2-CD1 3.92Å; L208-F240 HydrophobicContact CD1-CD1 3.9Å; L208-F240 HydrophobicContact CD1-CD2 4.45Å; L208-F240 HydrophobicContact CD1-CE1 3.74Å; L208-F240 HydrophobicContact CD1-CE2 4.28Å; L208-F240 HydrophobicContact CD1-CG 4.26Å; L208-F240 HydrophobicContact CD1-CZ 3.93Å; V214-F240 HydrophobicContact CG2-CE2 4.15Å; F216-F240 HydrophobicContact CZ-CE2 4.24Å; F216-F240 HydrophobicContact CZ-CZ 4.41Å; V232-F240 HydrophobicContact CB-CD2 4.23Å; V232-F240 HydrophobicContact CG1-CB 3.65Å; V232-F240 HydrophobicContact CG1-CD2 3.6Å; V232-F240 HydrophobicContact CG1-CE2 4.4Å; V232-F240 HydrophobicContact CG1-CG 3.74Å; V232-F240 HydrophobicContact CG2-CD2 3.81Å; V232-F240 HydrophobicContact CG2-CE2 3.87Å; T233-F240 CarbonylContact O-C 3.46Å; T233-F240 VanDerWaalsContact O-CA 3.3Å; T233-F240 WeakPolarHBondContact O-CA 3.28Å; T233-F240 WeakPolarHBondContact O-CB 3.48Å; F240-I242 HydrophobicContact CD2-CG2 3.66Å; F240-I242 HydrophobicContact CE2-CG2 3.41Å; F240-I242 VanDerWaalsContact CE2-CG2 3.41Å; F240-F257 HydrophobicContact CE1-CD1 4.26Å; F240-F257 AromaticContact CE1-CE1 3.61Å; F240-F257 HydrophobicContact CE1-CE1 3.61Å; F240-F257 HydrophobicContact CE1-CE2 4.18Å; F240-F257 AromaticContact CE1-CZ 3.55Å; F240-F257 HydrophobicContact CE1-CZ 3.55Å; F240-F257 AromaticContact CZ-CD1 3.93Å; F240-F257 HydrophobicContact CZ-CD1 3.93Å; F240-F257 HydrophobicContact CZ-CD2 4.31Å; F240-F257 AromaticContact CZ-CE1 3.76Å; F240-F257 HydrophobicContact CZ-CE1 3.76Å; F240-F257 HydrophobicContact CZ-CE2 4.17Å; F240-F257 HydrophobicContact CZ-CG 4.2Å; F240-F257 AromaticContact CZ-CZ 3.88Å; F240-F257 HydrophobicContact CZ-CZ 3.88Å |
| 241 | E | 97.1 | Very high | 95 | Very high | 51 Ų | 51 | 59.5 Ų | 59.5 | 24% | 0.238 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 146.4 | 179.2 | -60.7 | 176.9 | 165.5 | 0 | 0 | 112.2 | P195 G196 I197 V232 T233 L235 | P195-E241 HydrophobicContact CB-CB 3.97Å; P195-E241 HydrophobicContact CB-CG 4.12Å; P195-E241 HydrophobicContact CG-CB 4.2Å; P195-E241 HydrophobicContact CG-CG 3.82Å; P195-E241 WeakPolarHBondContact CG-OE1 3.32Å; P195-E241 WeakPolarHBondContact CG-OE2 3.44Å; G196-E241 VanDerWaalsContact O-CA 3.31Å; G196-E241 WeakPolarHBondContact O-CA 3.43Å; I197-E241 HydrophobicContact CG1-CG 4.33Å; V232-E241 WeakPolarHBondContact CA-O 3.48Å; T233-E241 PolarHBondContact N-O 3.34Å; T233-E241 VanDerWaalsContact N-O 3.13Å; T233-E241 PolarHBondContact O-N 2.9Å; L235-E241 HydrophobicContact CD1-CG 3.7Å; L235-E241 HydrophobicContact CD2-CG 4Å; L235-E241 HydrophobicContact CG-CG 3.9Å |
| 242 | I | 95.2 | Very high | 94.7 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | trans | -127.9 | 18.1 | -178.4 | 58.6 | 168.5 | 0 | 0 | 0 | 115.2 | I190 G196 V198 F216 L225 R230 F240 T245 | I190-I242 HydrophobicContact CG2-CD1 4.45Å; G196-I242 PolarHBondContact O-N 3.45Å; V198-I242 HydrophobicContact CG2-CD1 3.71Å; V198-I242 HydrophobicContact CG2-CG1 4.03Å; V198-I242 HydrophobicContact CG2-CG2 3.99Å; F216-I242 HydrophobicContact CE2-CD1 3.96Å; F216-I242 HydrophobicContact CE2-CG2 4.1Å; F216-I242 HydrophobicContact CZ-CD1 3.82Å; F216-I242 HydrophobicContact CZ-CG2 3.87Å; L225-I242 HydrophobicContact CD1-CD1 4.06Å; L225-I242 HydrophobicContact CD2-CD1 4.07Å; R230-I242 HydrophobicContact CB-CB 3.9Å; R230-I242 HydrophobicContact CB-CG2 4.08Å; R230-I242 HydrophobicContact CG-CB 4.21Å; F240-I242 HydrophobicContact CD2-CG2 3.66Å; F240-I242 HydrophobicContact CE2-CG2 3.41Å; F240-I242 VanDerWaalsContact CE2-CG2 3.41Å; I242-T245 HydrophobicContact CD1-CG2 4.14Å; I242-T245 HydrophobicContact CG1-CG2 4.2Å | ||
| 243 | G | 93.4 | Very high | 94.3 | Very high | 34 Ų | 34 | 56.6 Ų | 56.6 | 35% | 0.351 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 84.2 | -164.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P195 G196 T245 | P195-G243 CarbonylContact C-O 3.58Å; P195-G243 WeakPolarHBondContact CA-O 3.46Å; G196-G243 PolarHBondContact N-O 3.03Å; G243-T245 PolarHBondContact O-N 2.73Å |
| 244 | D | 95.1 | Very high | 93.8 | Very high | 65 Ų | 65 | 53.7 Ų | 53.7 | 35% | 0.348 | 30% | 0.304 | S | S | . | . | trans | -69.1 | 125.2 | -173.2 | -162.2 | -13.8 | 0 | 0 | 0 | 112.9 | N194 S246 | N194-D244 HydrophobicContact CB-CB 4.22Å; N194-D244 VanDerWaalsContact ND2-CG 3.3Å; N194-D244 PolarHBondContact ND2-OD2 2.96Å; D244-S246 WeakPolarHBondContact OD1-CB 3.28Å; D244-S246 PolarHBondContact OD1-N 3.34Å; D244-S246 PolarHBondContact OD1-OG 2.87Å; D244-S246 PolarHBondContact OD2-OG 2.94Å | ||
| 245 | T | 95.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -120.8 | 5.1 | 172.4 | 60.5 | 0 | 0 | 0 | 0 | 112.5 | T191 N193 G196 I242 G243 E247 L248 | T191-T245 PolarHBondContact O-OG1 3.11Å; N193-T245 PolarHBondContact N-OG1 3.38Å; N193-T245 PolarHBondContact O-N 3.46Å; N193-T245 PolarHBondContact O-OG1 2.97Å; G196-T245 VanDerWaalsContact CA-OG1 3.25Å; G196-T245 WeakPolarHBondContact CA-OG1 3.46Å; I242-T245 HydrophobicContact CD1-CG2 4.14Å; I242-T245 HydrophobicContact CG1-CG2 4.2Å; G243-T245 PolarHBondContact O-N 2.73Å; T245-E247 VanDerWaalsContact C-N 3.32Å; T245-E247 PolarHBondContact O-N 3.11Å; T245-L248 HydrophobicContact CG2-CD1 4.08Å; T245-L248 WeakPolarHBondContact O-CB 3.47Å; T245-L248 PolarHBondContact O-N 2.75Å; T245-L248 VanDerWaalsContact O-N 3.08Å | ||
| 246 | S | 93.8 | Very high | 93.3 | Very high | 54 Ų | 54 | 48 Ų | 48 | 38% | 0.378 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -35.3 | -174 | 63.4 | 0 | 0 | 0 | 0 | 113.4 | N193 D244 L248 | N193-S246 PolarHBondContact O-N 2.8Å; D244-S246 WeakPolarHBondContact OD1-CB 3.28Å; D244-S246 PolarHBondContact OD1-N 3.34Å; D244-S246 PolarHBondContact OD1-OG 2.87Å; D244-S246 PolarHBondContact OD2-OG 2.94Å; S246-L248 VanDerWaalsContact C-N 3.31Å; S246-L248 PolarHBondContact O-N 3.12Å |
| 247 | E | 93.4 | Very high | 93.2 | Very high | 182 Ų | 182 | 46.3 Ų | 46.3 | 85% | 0.85 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -8 | 177.1 | -60.9 | -169.9 | 165.1 | 0 | 0 | 113.9 | T245 | T245-E247 VanDerWaalsContact C-N 3.32Å; T245-E247 PolarHBondContact O-N 3.11Å |
| 248 | L | 93.6 | Very high | 93 | Very high | 33 Ų | 33 | 43.6 Ų | 43.6 | 17% | 0.173 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -79.4 | 157.4 | 177.7 | -55.1 | -174.5 | 0 | 0 | 0 | 110.3 | Q192 M222 A224 L225 T245 S246 | Q192-L248 PolarHBondContact NE2-O 3.37Å; M222-L248 HydrophobicContact CG-CB 4.18Å; A224-L248 HydrophobicContact CB-CD2 4.01Å; L225-L248 HydrophobicContact CD1-CD1 4.16Å; L225-L248 HydrophobicContact CD2-CD1 3.78Å; L225-L248 HydrophobicContact CG-CD1 3.68Å; T245-L248 HydrophobicContact CG2-CD1 4.08Å; T245-L248 WeakPolarHBondContact O-CB 3.47Å; T245-L248 PolarHBondContact O-N 2.75Å; T245-L248 VanDerWaalsContact O-N 3.08Å; S246-L248 VanDerWaalsContact C-N 3.31Å; S246-L248 PolarHBondContact O-N 3.12Å |
| 249 | Q | 93.8 | Very high | 92.9 | Very high | 140 Ų | 140 | 43 Ų | 43 | 65% | 0.654 | 24% | 0.24 | S | C | * | . | P | Polyproline II helix | trans | -61.1 | 150.8 | 168.7 | -70.7 | -63.1 | -46.7 | 0 | 0 | 110.8 | G221 M222 Y251 | G221-Q249 WeakPolarHBondContact O-CB 3.22Å; M222-Q249 WeakPolarHBondContact CG-O 3.2Å; Q249-Y251 PolarHBondContact O-N 3.23Å |
| 250 | P | 93.3 | Very high | 92.6 | Very high | 71 Ų | 71 | 44 Ų | 44 | 46% | 0.461 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -57 | 140.9 | 177.4 | -24.2 | 33.7 | 0 | 0 | 0 | 111.9 | G221 A252 | G221-P250 CarbonylContact C-O 3.59Å; G221-P250 WeakPolarHBondContact CA-O 3.4Å; P250-A252 PolarHBondContact O-N 3.06Å |
| 251 | Y | 93.5 | Very high | 92 | Very high | 42 Ų | 42 | 46.9 Ų | 46.9 | 17% | 0.165 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 132.9 | 173.5 | 170.6 | -94.1 | 0 | 0 | 0 | 109.8 | I187 Q188 I190 V219 Q249 H253 G254 | I187-Y251 HydrophobicContact CG2-CE2 4.24Å; I187-Y251 PolarHBondContact O-OH 3.04Å; Q188-Y251 VanDerWaalsContact O-CE1 3.29Å; Q188-Y251 WeakPolarHBondContact O-CE1 3.49Å; Q188-Y251 PolarHBondContact O-OH 2.99Å; I190-Y251 HydrophobicContact CB-CD2 4.1Å; I190-Y251 HydrophobicContact CB-CG 4.25Å; I190-Y251 HydrophobicContact CD1-CD2 4.1Å; I190-Y251 HydrophobicContact CD1-CE2 4.45Å; I190-Y251 HydrophobicContact CG1-CD2 3.86Å; I190-Y251 HydrophobicContact CG1-CE2 4.21Å; I190-Y251 HydrophobicContact CG1-CG 4.45Å; I190-Y251 VanDerWaalsContact O-CB 3.32Å; I190-Y251 WeakPolarHBondContact O-CB 3.34Å; V219-Y251 HydrophobicContact CG1-CD2 4.02Å; V219-Y251 HydrophobicContact CG1-CE2 4.27Å; Q249-Y251 PolarHBondContact O-N 3.23Å; Y251-H253 VanDerWaalsContact CZ-C 3.5Å; Y251-H253 VanDerWaalsContact CZ-CA 3.44Å; Y251-H253 VanDerWaalsContact OH-C 3.28Å; Y251-H253 WeakPolarHBondContact OH-CA 3.36Å; Y251-G254 WeakPolarHBondContact CE2-O 3.44Å; Y251-G254 PolarHBondContact OH-N 3.27Å; Y251-G254 PolarHBondContact OH-O 3.12Å |
| 252 | A | 88 | Confident | 91.3 | Very high | 61 Ų | 61 | 48 Ų | 48 | 50% | 0.504 | 27% | 0.265 | S | S | . | . | trans | -98.6 | -65.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | H220 P250 | H220-A252 HydrophobicContact CB-CB 4.41Å; H220-A252 PolarHBondContact O-N 3.49Å; P250-A252 PolarHBondContact O-N 3.06Å | ||
| 253 | H | 85.8 | Confident | 91 | Very high | 57 Ų | 57 | 51.2 Ų | 51.2 | 26% | 0.264 | 29% | 0.286 | S | S | . | . | B | Isolated β-bridge | trans | -169.6 | 171.2 | 179.1 | 57.7 | 79.1 | 0 | 0 | 0 | 111 | H220 Y251 | H220-H253 WeakPolarHBondContact CB-O 3.46Å; H220-H253 AromaticContact CD2-CE1 3.93Å; H220-H253 AromaticContact CD2-ND1 3.98Å; H220-H253 AromaticContact CG-CE1 3.9Å; H220-H253 PolarHBondContact N-O 3.42Å; Y251-H253 VanDerWaalsContact CZ-C 3.5Å; Y251-H253 VanDerWaalsContact CZ-CA 3.44Å; Y251-H253 VanDerWaalsContact OH-C 3.28Å; Y251-H253 WeakPolarHBondContact OH-CA 3.36Å |
| 254 | G | 86.1 | Confident | 90.9 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | trans | 72.3 | -169.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | E218 Y251 S706 | E218-G254 CarbonylContact O-C 3.51Å; Y251-G254 WeakPolarHBondContact CE2-O 3.44Å; Y251-G254 PolarHBondContact OH-N 3.27Å; Y251-G254 PolarHBondContact OH-O 3.12Å; G254-S706 WeakPolarHBondContact CA-OG 3.36Å | ||
| 255 | G | 89.1 | Confident | 90.9 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | 93.3 | 158.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | I187 R217 E218 | I187-G255 PolarHBondContact N-O 2.67Å; R217-G255 CarbonylContact O-C 3.38Å; R217-G255 WeakPolarHBondContact O-CA 3.45Å; E218-G255 WeakPolarHBondContact O-CA 3.28Å; E218-G255 PolarHBondContact O-N 3.32Å | ||
| 256 | F | 91.6 | Very high | 91 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 2% | 0.022 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 163.3 | 173.9 | 64.2 | -86.5 | 0 | 0 | 0 | 109.2 | E184 I185 F186 R217 E218 V258 | E184-F256 HydrophobicContact CB-CD2 3.85Å; E184-F256 HydrophobicContact CB-CE2 4.24Å; E184-F256 HydrophobicContact CG-CD2 3.86Å; E184-F256 HydrophobicContact CG-CE2 3.72Å; I185-F256 CarbonylContact O-C 3.5Å; I185-F256 WeakPolarHBondContact O-CA 3.31Å; I185-F256 VanDerWaalsContact O-CB 3.28Å; I185-F256 WeakPolarHBondContact O-CB 3.14Å; F186-F256 HydrophobicContact CD1-CB 4.03Å; F186-F256 HydrophobicContact CE1-CB 4.38Å; R217-F256 HydrophobicContact CB-CD1 4.37Å; R217-F256 HydrophobicContact CB-CE1 3.83Å; R217-F256 HydrophobicContact CB-CE2 4Å; R217-F256 HydrophobicContact CB-CZ 3.65Å; R217-F256 HydrophobicContact CG-CE2 4.33Å; R217-F256 HydrophobicContact CG-CZ 4.24Å; R217-F256 PolarHBondContact N-O 3.05Å; R217-F256 PolarHBondContact O-N 3.32Å; E218-F256 HydrophobicContact CB-CD1 4.44Å; E218-F256 HydrophobicContact CB-CE1 4.36Å; E218-F256 HydrophobicContact CG-CE1 4.04Å; F256-V258 HydrophobicContact CD2-CG2 3.95Å; F256-V258 HydrophobicContact CE2-CG2 3.85Å |
| 257 | F | 93.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 0% | 0.004 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 157 | 171.1 | 66.8 | -91 | 0 | 0 | 0 | 111 | I185 I187 H206 L208 V214 I215 F216 F240 | I185-F257 HydrophobicContact CB-CD1 4.3Å; I185-F257 HydrophobicContact CB-CD2 4.45Å; I185-F257 HydrophobicContact CB-CE1 3.71Å; I185-F257 HydrophobicContact CB-CE2 3.86Å; I185-F257 HydrophobicContact CB-CZ 3.47Å; I185-F257 VanDerWaalsContact CB-CZ 3.47Å; I185-F257 HydrophobicContact CD1-CE2 3.95Å; I185-F257 HydrophobicContact CD1-CZ 3.93Å; I185-F257 HydrophobicContact CG1-CE2 4.15Å; I185-F257 HydrophobicContact CG1-CZ 4.13Å; I185-F257 HydrophobicContact CG2-CE1 3.72Å; I185-F257 HydrophobicContact CG2-CE2 4.44Å; I185-F257 HydrophobicContact CG2-CZ 3.59Å; I185-F257 PolarHBondContact N-O 3.1Å; I185-F257 WeakPolarHBondContact O-CD1 3.47Å; I185-F257 PolarHBondContact O-N 3.27Å; I187-F257 HydrophobicContact CD1-CD1 4.26Å; I187-F257 HydrophobicContact CG1-CD1 3.9Å; H206-F257 HydrophobicContact CB-CE2 4.41Å; H206-F257 HydrophobicContact CB-CZ 3.81Å; L208-F257 HydrophobicContact CD1-CD2 4.43Å; L208-F257 HydrophobicContact CD1-CE2 3.7Å; L208-F257 HydrophobicContact CD1-CZ 4.17Å; L208-F257 HydrophobicContact CD2-CE2 4.19Å; L208-F257 HydrophobicContact CG-CE2 4.18Å; V214-F257 HydrophobicContact CB-CB 4.31Å; V214-F257 HydrophobicContact CB-CD2 4.09Å; V214-F257 HydrophobicContact CG1-CD2 3.78Å; V214-F257 HydrophobicContact CG1-CE2 4.31Å; I215-F257 CarbonylContact O-C 3.59Å; I215-F257 VanDerWaalsContact O-CA 3.22Å; I215-F257 WeakPolarHBondContact O-CA 3.28Å; F216-F257 HydrophobicContact CD1-CB 3.99Å; F216-F257 HydrophobicContact CE1-CB 3.91Å; F216-F257 HydrophobicContact CE1-CD1 4.49Å; F216-F257 HydrophobicContact CZ-CB 4.37Å; F240-F257 HydrophobicContact CE1-CD1 4.26Å; F240-F257 AromaticContact CE1-CE1 3.61Å; F240-F257 HydrophobicContact CE1-CE1 3.61Å; F240-F257 HydrophobicContact CE1-CE2 4.18Å; F240-F257 AromaticContact CE1-CZ 3.55Å; F240-F257 HydrophobicContact CE1-CZ 3.55Å; F240-F257 AromaticContact CZ-CD1 3.93Å; F240-F257 HydrophobicContact CZ-CD1 3.93Å; F240-F257 HydrophobicContact CZ-CD2 4.31Å; F240-F257 AromaticContact CZ-CE1 3.76Å; F240-F257 HydrophobicContact CZ-CE1 3.76Å; F240-F257 HydrophobicContact CZ-CE2 4.17Å; F240-F257 HydrophobicContact CZ-CG 4.2Å; F240-F257 AromaticContact CZ-CZ 3.88Å; F240-F257 HydrophobicContact CZ-CZ 3.88Å |
| 258 | V | 92.4 | Very high | 91.4 | Very high | 23 Ų | 23 | 47.4 Ų | 47.4 | 14% | 0.139 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 137.3 | 175.3 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | P182 E184 V214 I215 F256 V260 | P182-V258 HydrophobicContact CB-CG1 3.51Å; E184-V258 HydrophobicContact CG-CG2 3.91Å; V214-V258 CarbonylContact C-O 3.35Å; V214-V258 VanDerWaalsContact CA-O 3.28Å; V214-V258 WeakPolarHBondContact CA-O 3.31Å; I215-V258 HydrophobicContact CG2-CB 4.15Å; I215-V258 PolarHBondContact N-O 3.31Å; I215-V258 PolarHBondContact O-N 3.16Å; F256-V258 HydrophobicContact CD2-CG2 3.95Å; F256-V258 HydrophobicContact CE2-CG2 3.85Å; V258-V260 PolarHBondContact O-N 3.03Å |
| 259 | M | 92 | Very high | 91.6 | Very high | 52 Ų | 52 | 49 Ų | 49 | 26% | 0.256 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 131.8 | 174.7 | -172.7 | -170.3 | -63.7 | 0 | 0 | 110.5 | P182 L208 H212 | P182-M259 HydrophobicContact CB-CB 4.46Å; P182-M259 WeakPolarHBondContact CB-O 3.41Å; L208-M259 HydrophobicContact CD2-CB 4.23Å; L208-M259 HydrophobicContact CD2-CE 3.48Å; L208-M259 VanDerWaalsContact CD2-CE 3.48Å; L208-M259 HydrophobicContact CD2-CG 4.32Å; H212-M259 WeakPolarHBondContact ND1-CE 3.38Å |
| 260 | V | 90.1 | Very high | 91.8 | Very high | 43 Ų | 43 | 43.5 Ų | 43.5 | 26% | 0.261 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 116.6 | 171.8 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | N213 I215 V229 V258 N262 | N213-V260 HydrophobicContact CB-CB 4.1Å; N213-V260 PolarHBondContact O-N 3.03Å; I215-V260 HydrophobicContact CB-CG2 3.9Å; I215-V260 HydrophobicContact CG2-CG2 3.92Å; V229-V260 HydrophobicContact CG1-CG2 4.43Å; V229-V260 HydrophobicContact CG2-CG2 4.32Å; V258-V260 PolarHBondContact O-N 3.03Å; V260-N262 PolarHBondContact O-N 3.4Å |
| 261 | K | 84.8 | Confident | 92.1 | Very high | 60 Ų | 60 | 40.1 Ų | 40.1 | 26% | 0.261 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -76.1 | 120.6 | 173.1 | -65.2 | -173.1 | 179.4 | -175 | 0 | 109 | D176 E180 P182 | D176-K261 IonicContact OD1-NZ 3.7Å; D176-K261 PolarHBondContact OD1-NZ 3.37Å; D176-K261 IonicContact OD2-NZ 3.96Å; D176-K261 PolarHBondContact OD2-NZ 3.22Å; E180-K261 WeakPolarHBondContact O-CE 3.4Å; E180-K261 PolarHBondContact O-NZ 2.99Å; P182-K261 HydrophobicContact CG-CG 4.38Å |
| 262 | N | 83.5 | Confident | 92.2 | Very high | 75 Ų | 75 | 43.7 Ų | 43.7 | 40% | 0.401 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -94.5 | 144.9 | 169.3 | -55.4 | -46.3 | 0 | 0 | 0 | 108.7 | N213 V260 | N213-N262 PolarHBondContact ND2-ND2 3.23Å; N213-N262 PolarHBondContact ND2-OD1 3Å; V260-N262 PolarHBondContact O-N 3.4Å |
| 263 | P | 88.1 | Confident | 92.6 | Very high | 72 Ų | 72 | 48.2 Ų | 48.2 | 47% | 0.468 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 140.6 | 169 | -21.7 | 32.5 | 0 | 0 | 0 | 111.2 | E173 V174 | E173-P263 HydrophobicContact CG-CB 3.69Å; V174-P263 CarbonylContact O-C 3.55Å; V174-P263 VanDerWaalsContact O-CA 3.24Å; V174-P263 WeakPolarHBondContact O-CA 3.46Å |
| 264 | T | 92 | Very high | 93.1 | Very high | 54 Ų | 54 | 45.8 Ų | 45.8 | 33% | 0.331 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 129 | 176 | -58.1 | 0 | 0 | 0 | 0 | 109 | V174 Y266 | V174-T264 PolarHBondContact N-O 2.92Å; V174-T264 PolarHBondContact O-N 3.22Å; T264-Y266 HydrophobicContact CG2-CD2 4.22Å; T264-Y266 HydrophobicContact CG2-CE2 3.62Å |
| 265 | T | 95.6 | Very high | 93.6 | Very high | 88 Ų | 88 | 46.4 Ų | 46.4 | 54% | 0.54 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 130.7 | 174.7 | -51.3 | 0 | 0 | 0 | 0 | 110.4 | T171 F172 | T171-T265 HydrophobicContact CG2-CG2 3.76Å; F172-T265 CarbonylContact O-C 3.58Å; F172-T265 WeakPolarHBondContact O-CA 3.47Å |
| 266 | Y | 96.6 | Very high | 93.9 | Very high | 39 Ų | 39 | 49.3 Ų | 49.3 | 15% | 0.153 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 147.1 | 173.2 | -65.9 | -94.2 | 0 | 0 | 0 | 109.4 | F172 V174 T264 A380 P381 Q383 | F172-Y266 PolarHBondContact N-O 3.47Å; F172-Y266 PolarHBondContact O-N 2.8Å; V174-Y266 HydrophobicContact CB-CD2 4.01Å; V174-Y266 HydrophobicContact CB-CE2 3.72Å; V174-Y266 HydrophobicContact CG1-CE2 4.29Å; V174-Y266 HydrophobicContact CG2-CD2 3.48Å; V174-Y266 VanDerWaalsContact CG2-CD2 3.48Å; V174-Y266 HydrophobicContact CG2-CE2 3.55Å; T264-Y266 HydrophobicContact CG2-CD2 4.22Å; T264-Y266 HydrophobicContact CG2-CE2 3.62Å; Y266-A380 WeakPolarHBondContact OH-CB 3.46Å; Y266-P381 HydrophobicContact CD1-CG 4.12Å; Y266-P381 HydrophobicContact CD2-CG 4.25Å; Y266-P381 HydrophobicContact CG-CG 3.96Å; Y266-Q383 HydrophobicContact CD1-CG 4.2Å |
| 267 | S | 97.5 | Very high | 94 | Very high | 71 Ų | 71 | 52 Ų | 52 | 50% | 0.497 | 28% | 0.276 | S | S | . | . | trans | -122.5 | 135.3 | 175.9 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | E170 Q383 | E170-S267 WeakPolarHBondContact O-CB 3.1Å; E170-S267 PolarHBondContact O-OG 2.77Å; S267-Q383 PolarHBondContact O-NE2 3.05Å | ||
| 268 | F | 98.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 1% | 0.013 | 28% | 0.277 | C | S | . | . | trans | -116 | 150.8 | 179.5 | -67.3 | -98.2 | 0 | 0 | 0 | 110.9 | C166 D167 F168 G169 F172 P381 L382 Q383 Q384 | C166-F268 HydrophobicContact CB-CE1 4.32Å; C166-F268 VanDerWaalsContact O-CD1 3.25Å; C166-F268 WeakPolarHBondContact O-CD1 3.48Å; D167-F268 WeakPolarHBondContact OD1-CB 3.45Å; F168-F268 HydrophobicContact CB-CD2 3.86Å; F168-F268 HydrophobicContact CB-CE2 3.76Å; F168-F268 HydrophobicContact CB-CG 4.44Å; F168-F268 HydrophobicContact CB-CZ 4.23Å; F168-F268 HydrophobicContact CD2-CE1 4.37Å; F168-F268 AromaticContact CD2-CE2 3.98Å; F168-F268 HydrophobicContact CD2-CE2 3.98Å; F168-F268 AromaticContact CD2-CZ 3.72Å; F168-F268 HydrophobicContact CD2-CZ 3.72Å; F168-F268 HydrophobicContact CE2-CZ 4.37Å; F168-F268 HydrophobicContact CG-CE2 4.16Å; F168-F268 HydrophobicContact CG-CZ 4.12Å; G169-F268 WeakPolarHBondContact O-CB 3.26Å; G169-F268 WeakPolarHBondContact O-CD2 3.39Å; G169-F268 PolarHBondContact O-N 3.36Å; F172-F268 HydrophobicContact CB-CD2 4.4Å; F172-F268 HydrophobicContact CB-CE2 4.11Å; F172-F268 HydrophobicContact CD1-CE2 4.35Å; F172-F268 HydrophobicContact CG-CE2 4.45Å; F268-P381 HydrophobicContact CE2-CG 4.16Å; F268-P381 HydrophobicContact CZ-CB 3.83Å; F268-P381 HydrophobicContact CZ-CG 3.58Å; F268-L382 WeakPolarHBondContact CE1-O 3.37Å; F268-Q383 HydrophobicContact CE1-CG 3.95Å; F268-Q383 HydrophobicContact CZ-CG 3.95Å; F268-Q384 HydrophobicContact CD1-CG 4Å; F268-Q384 HydrophobicContact CE1-CG 4.47Å | ||
| 269 | E | 98.1 | Very high | 94.3 | Very high | 67 Ų | 67 | 55.5 Ų | 55.5 | 31% | 0.313 | 29% | 0.291 | S | S | . | . | trans | -101.2 | 153.4 | 171.4 | -67 | -172.4 | 167.2 | 0 | 0 | 109.8 | R273 Q274 Q384 | E269-R273 HydrophobicContact CB-CB 4.36Å; E269-Q274 HydrophobicContact CB-CG 3.85Å; E269-Q274 PolarHBondContact OE2-NE2 3.36Å; E269-Q384 PolarHBondContact O-OE1 2.86Å | ||
| 270 | T | 98.3 | Very high | 94.6 | Very high | 24 Ų | 24 | 54.7 Ų | 54.7 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | trans | -58.3 | 149.3 | 171.4 | 57.8 | 0 | 0 | 0 | 0 | 111 | N140 H144 E272 R273 Q274 | N140-T270 WeakPolarHBondContact OD1-CA 3.46Å; H144-T270 HydrophobicContact CB-CG2 4.2Å; T270-E272 PolarHBondContact O-N 3.38Å; T270-E272 VanDerWaalsContact O-N 3.15Å; T270-R273 PolarHBondContact O-N 3.43Å; T270-R273 VanDerWaalsContact O-N 3.07Å; T270-Q274 PolarHBondContact O-N 3.35Å | ||
| 271 | L | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -47.3 | -45.8 | 173.9 | 179 | 57.3 | 0 | 0 | 0 | 111.7 | L133 Q136 K137 N140 F152 F165 R273 Q274 L275 W385 | L133-L271 HydrophobicContact CD1-CD2 4.46Å; Q136-L271 HydrophobicContact CB-CD2 3.79Å; K137-L271 HydrophobicContact CG-CD2 4.08Å; K137-L271 HydrophobicContact CG-CG 4.27Å; N140-L271 HydrophobicContact CB-CB 3.94Å; N140-L271 HydrophobicContact CB-CD2 4.46Å; N140-L271 WeakPolarHBondContact OD1-CB 3.4Å; N140-L271 PolarHBondContact OD1-N 3Å; F152-L271 HydrophobicContact CE1-CD2 4.45Å; F165-L271 HydrophobicContact CD1-CB 4.28Å; F165-L271 HydrophobicContact CD1-CD1 3.81Å; F165-L271 HydrophobicContact CD2-CD1 4.2Å; F165-L271 HydrophobicContact CE1-CB 3.65Å; F165-L271 HydrophobicContact CE1-CD1 3.92Å; F165-L271 HydrophobicContact CE1-CG 4.32Å; F165-L271 HydrophobicContact CE2-CD1 4.31Å; F165-L271 HydrophobicContact CG-CD1 3.94Å; F165-L271 HydrophobicContact CZ-CB 3.98Å; F165-L271 HydrophobicContact CZ-CD1 4.17Å; L271-R273 VanDerWaalsContact C-N 3.31Å; L271-R273 PolarHBondContact O-N 2.88Å; L271-Q274 CarbonylContact O-C 3.53Å; L271-Q274 PolarHBondContact O-N 2.93Å; L271-L275 HydrophobicContact CD1-CD2 4.03Å; L271-L275 HydrophobicContact CD1-CG 4.11Å; L271-L275 HydrophobicContact CG-CD1 4.27Å; L271-L275 HydrophobicContact CG-CG 4.29Å; L271-L275 VanDerWaalsContact O-CG 3.29Å; L271-L275 WeakPolarHBondContact O-CG 3.41Å; L271-L275 PolarHBondContact O-N 3.5Å; L271-W385 HydrophobicContact CD1-CH2 3.62Å; L271-W385 HydrophobicContact CD1-CZ2 3.36Å |
| 272 | E | 96.5 | Very high | 95.4 | Very high | 118 Ų | 118 | 54 Ų | 54 | 55% | 0.551 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -55.4 | -41.6 | -178.2 | -175.7 | 165.7 | -152.7 | 0 | 0 | 113.7 | T270 | T270-E272 PolarHBondContact O-N 3.38Å; T270-E272 VanDerWaalsContact O-N 3.15Å |
| 273 | R | 96.3 | Very high | 96 | Very high | 156 Ų | 156 | 50.9 Ų | 50.9 | 59% | 0.589 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -69.7 | -41.2 | 176.3 | -69.2 | -177.5 | -179.9 | 172.3 | 4.5 | 111.7 | E269 T270 L271 L275 C276 N277 | E269-R273 HydrophobicContact CB-CB 4.36Å; T270-R273 PolarHBondContact O-N 3.43Å; T270-R273 VanDerWaalsContact O-N 3.07Å; L271-R273 VanDerWaalsContact C-N 3.31Å; L271-R273 PolarHBondContact O-N 2.88Å; R273-L275 VanDerWaalsContact C-N 3.28Å; R273-L275 PolarHBondContact O-N 3.4Å; R273-C276 PolarHBondContact O-N 3.25Å; R273-C276 VanDerWaalsContact O-N 3.08Å; R273-N277 PolarHBondContact O-N 3.03Å; R273-N277 VanDerWaalsContact O-N 3.13Å |
| 274 | Q | 97.3 | Very high | 96.3 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 2% | 0.023 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -74.8 | -15.1 | -176.3 | -72.8 | -72.9 | -49.3 | 0 | 0 | 114.1 | F165 E269 T270 L271 C276 N277 P278 Q384 W385 | F165-Q274 HydrophobicContact CE2-CB 3.82Å; F165-Q274 HydrophobicContact CE2-CG 3.99Å; F165-Q274 HydrophobicContact CZ-CB 4.41Å; F165-Q274 HydrophobicContact CZ-CG 4.47Å; E269-Q274 HydrophobicContact CB-CG 3.85Å; E269-Q274 PolarHBondContact OE2-NE2 3.36Å; T270-Q274 PolarHBondContact O-N 3.35Å; L271-Q274 CarbonylContact O-C 3.53Å; L271-Q274 PolarHBondContact O-N 2.93Å; Q274-C276 VanDerWaalsContact C-N 3.25Å; Q274-N277 PolarHBondContact NE2-O 3.31Å; Q274-P278 VanDerWaalsContact O-CA 3.29Å; Q274-P278 WeakPolarHBondContact O-CA 3.29Å; Q274-P278 WeakPolarHBondContact O-CB 3.27Å; Q274-Q384 VanDerWaalsContact CD-OE1 3.29Å; Q274-W385 PolarHBondContact O-NE1 3.4Å |
| 275 | L | 96.3 | Very high | 96.3 | Very high | 19 Ų | 19 | 52.3 Ų | 52.3 | 10% | 0.099 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -23.1 | 167.5 | -65.7 | 169.5 | 0 | 0 | 0 | 112.3 | L133 K137 L271 R273 H295 L299 L334 W385 | L133-L275 HydrophobicContact CD1-CD1 4.05Å; L133-L275 HydrophobicContact CD1-CD2 3.92Å; L133-L275 HydrophobicContact CD2-CD1 4.29Å; L133-L275 HydrophobicContact CD2-CD2 4.42Å; L133-L275 HydrophobicContact CG-CD1 4.38Å; K137-L275 HydrophobicContact CD-CD1 3.74Å; K137-L275 HydrophobicContact CG-CD1 3.94Å; L271-L275 HydrophobicContact CD1-CD2 4.03Å; L271-L275 HydrophobicContact CD1-CG 4.11Å; L271-L275 HydrophobicContact CG-CD1 4.27Å; L271-L275 HydrophobicContact CG-CG 4.29Å; L271-L275 VanDerWaalsContact O-CG 3.29Å; L271-L275 WeakPolarHBondContact O-CG 3.41Å; L271-L275 PolarHBondContact O-N 3.5Å; R273-L275 VanDerWaalsContact C-N 3.28Å; R273-L275 PolarHBondContact O-N 3.4Å; L275-H295 PolarHBondContact O-NE2 3.23Å; L275-L299 HydrophobicContact CD2-CD2 3.46Å; L275-L299 VanDerWaalsContact CD2-CD2 3.46Å; L275-L334 WeakPolarHBondContact O-CD2 3.22Å; L275-W385 HydrophobicContact CD2-CH2 4.32Å; L275-W385 HydrophobicContact CD2-CZ2 3.98Å |
| 276 | C | 94.1 | Very high | 96.1 | Very high | 60 Ų | 60 | 51.9 Ų | 51.9 | 41% | 0.405 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -33.7 | 179.1 | -62 | 0 | 0 | 0 | 0 | 112.9 | R273 Q274 L335 | R273-C276 PolarHBondContact O-N 3.25Å; R273-C276 VanDerWaalsContact O-N 3.08Å; Q274-C276 VanDerWaalsContact C-N 3.25Å; C276-L335 PolarHBondContact O-N 3.43Å |
| 277 | N | 95.1 | Very high | 95.8 | Very high | 63 Ų | 63 | 53.5 Ų | 53.5 | 34% | 0.337 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -133.5 | 73.5 | -179.6 | -172.5 | 30.4 | 0 | 0 | 0 | 111 | R273 Q274 Q279 L335 N336 | R273-N277 PolarHBondContact O-N 3.03Å; R273-N277 VanDerWaalsContact O-N 3.13Å; Q274-N277 PolarHBondContact NE2-O 3.31Å; N277-Q279 PolarHBondContact O-N 3.09Å; N277-L335 HydrophobicContact CB-CB 4.4Å; N277-L335 HydrophobicContact CB-CD1 3.91Å; N277-N336 PolarHBondContact OD1-ND2 2.84Å |
| 278 | P | 96 | Very high | 95.6 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | trans | -71.6 | 131.3 | -173.1 | 29.2 | -37.1 | 0 | 0 | 0 | 112 | Q274 V280 L292 | Q274-P278 VanDerWaalsContact O-CA 3.29Å; Q274-P278 WeakPolarHBondContact O-CA 3.29Å; Q274-P278 WeakPolarHBondContact O-CB 3.27Å; P278-V280 HydrophobicContact CB-CG1 4.04Å; P278-L292 HydrophobicContact CB-CD2 4.45Å; P278-L292 HydrophobicContact CG-CD2 3.55Å | ||
| 279 | Q | 96.6 | Very high | 95.4 | Very high | 90 Ų | 90 | 57.2 Ų | 57.2 | 42% | 0.421 | 29% | 0.287 | S | S | . | . | trans | -90.6 | 110.1 | 163.1 | -171.4 | -175.5 | -4.3 | 0 | 0 | 109.4 | N277 Q383 Q384 W385 | N277-Q279 PolarHBondContact O-N 3.09Å; Q279-Q383 VanDerWaalsContact CG-O 3.29Å; Q279-Q383 WeakPolarHBondContact CG-O 3.48Å; Q279-Q383 PolarHBondContact NE2-O 2.8Å; Q279-Q384 PolarHBondContact O-N 2.84Å; Q279-Q384 VanDerWaalsContact O-N 3.08Å; Q279-W385 PolarHBondContact O-N 3.3Å | ||
| 280 | V | 96.4 | Very high | 95.3 | Very high | 35 Ų | 35 | 54.6 Ų | 54.6 | 21% | 0.212 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 139.8 | -172 | -62.7 | 0 | 0 | 0 | 0 | 112.3 | P278 P291 L292 W385 Y387 | P278-V280 HydrophobicContact CB-CG1 4.04Å; V280-P291 HydrophobicContact CB-CB 3.81Å; V280-P291 HydrophobicContact CG1-CB 4.2Å; V280-P291 HydrophobicContact CG2-CB 3.91Å; V280-L292 HydrophobicContact CG1-CD2 3.94Å; V280-L292 HydrophobicContact CG2-CD2 4.04Å; V280-L292 HydrophobicContact CG2-CG 4.14Å; V280-W385 HydrophobicContact CG1-CB 4.11Å; V280-Y387 HydrophobicContact CG1-CD2 4.16Å; V280-Y387 HydrophobicContact CG1-CE2 4.13Å |
| 281 | L | 96.9 | Very high | 95.2 | Very high | 35 Ų | 35 | 53.6 Ų | 53.6 | 18% | 0.183 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 138.5 | 162.5 | -178.8 | 61.7 | 0 | 0 | 0 | 109.6 | P283 P291 L382 W385 F386 P902 | L281-P283 WeakPolarHBondContact O-CD 3.45Å; L281-P291 WeakPolarHBondContact O-CG 3.35Å; L281-L382 HydrophobicContact CB-CD1 3.95Å; L281-L382 HydrophobicContact CD2-CD1 4.2Å; L281-W385 PolarHBondContact N-O 3.41Å; L281-F386 HydrophobicContact CB-CD2 4.35Å; L281-F386 HydrophobicContact CD2-CD2 3.88Å; L281-F386 HydrophobicContact CD2-CE2 4.35Å; L281-F386 HydrophobicContact CG-CD2 4.41Å; L281-P902 WeakPolarHBondContact CD1-O 3.33Å; L281-P902 HydrophobicContact CD2-CB 4.44Å |
| 282 | I | 96.6 | Very high | 95.2 | Very high | 55 Ų | 55 | 54.9 Ų | 54.9 | 28% | 0.282 | 28% | 0.278 | S | S | . | . | trans | -99.4 | 107.7 | 176.2 | -60.1 | 172.8 | 0 | 0 | 0 | 108.9 | F285 P288 | I282-F285 HydrophobicContact CG2-CD1 4.25Å; I282-P288 HydrophobicContact CD1-CB 4.21Å; I282-P288 HydrophobicContact CG2-CB 4.42Å | ||
| 283 | P | 95 | Very high | 95.2 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -82.6 | -31.2 | 179.7 | -10.8 | 29.1 | 0 | 0 | 0 | 113.1 | L281 F386 Y387 V904 V905 L906 | L281-P283 WeakPolarHBondContact O-CD 3.45Å; P283-F386 HydrophobicContact CB-CE2 4.18Å; P283-F386 HydrophobicContact CG-CD2 4.16Å; P283-F386 HydrophobicContact CG-CE2 3.63Å; P283-F386 HydrophobicContact CG-CZ 4.45Å; P283-Y387 WeakPolarHBondContact CG-O 3.3Å; P283-V904 WeakPolarHBondContact CA-O 3.48Å; P283-V904 HydrophobicContact CB-CB 4.46Å; P283-V904 HydrophobicContact CB-CG1 4.3Å; P283-V905 CarbonylContact O-C 3.55Å; P283-V905 VanDerWaalsContact O-CA 3.22Å; P283-V905 WeakPolarHBondContact O-CA 3.4Å; P283-L906 HydrophobicContact CB-CD1 4.47Å; P283-L906 PolarHBondContact O-N 3.35Å |
| 284 | D | 93.8 | Very high | 95.3 | Very high | 15 Ų | 15 | 43.4 Ų | 43.4 | 8% | 0.08 | 23% | 0.231 | C | C | . | . | trans | -119.9 | 106.4 | -178.7 | -174.5 | -11.9 | 0 | 0 | 0 | 109.2 | S286 K287 L906 | D284-S286 PolarHBondContact O-N 2.94Å; D284-S286 WeakPolarHBondContact OD1-CA 3.48Å; D284-S286 VanDerWaalsContact OD1-CB 3.28Å; D284-S286 WeakPolarHBondContact OD1-CB 3.38Å; D284-S286 PolarHBondContact OD1-N 3.49Å; D284-S286 PolarHBondContact OD1-OG 2.83Å; D284-S286 PolarHBondContact OD2-OG 2.89Å; D284-K287 HydrophobicContact CB-CB 4.5Å; D284-K287 CarbonylContact O-C 3.57Å; D284-K287 VanDerWaalsContact O-C 3.28Å; D284-K287 PolarHBondContact O-N 3.47Å; D284-L906 HydrophobicContact CB-CB 4.18Å; D284-L906 HydrophobicContact CB-CD1 4.39Å | ||
| 285 | F | 92.6 | Very high | 95.3 | Very high | 140 Ų | 140 | 43.2 Ų | 43.2 | 61% | 0.614 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -14.7 | 179.6 | -67.9 | -73 | 0 | 0 | 0 | 113.2 | I282 K287 V905 | I282-F285 HydrophobicContact CG2-CD1 4.25Å; F285-K287 VanDerWaalsContact C-N 3.25Å; F285-V905 HydrophobicContact CD2-CG1 4.03Å; F285-V905 HydrophobicContact CE2-CG1 4.08Å; F285-V905 HydrophobicContact CE2-CG2 3.98Å |
| 286 | S | 90.9 | Very high | 95.4 | Very high | 80 Ų | 80 | 42.4 Ų | 42.4 | 56% | 0.559 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -14.1 | 170.7 | 76.3 | 0 | 0 | 0 | 0 | 112.8 | D284 | D284-S286 PolarHBondContact O-N 2.94Å; D284-S286 WeakPolarHBondContact OD1-CA 3.48Å; D284-S286 VanDerWaalsContact OD1-CB 3.28Å; D284-S286 WeakPolarHBondContact OD1-CB 3.38Å; D284-S286 PolarHBondContact OD1-N 3.49Å; D284-S286 PolarHBondContact OD1-OG 2.83Å; D284-S286 PolarHBondContact OD2-OG 2.89Å |
| 287 | K | 91.2 | Very high | 95.5 | Very high | 72 Ų | 72 | 39.5 Ų | 39.5 | 31% | 0.313 | 21% | 0.207 | S | C | . | . | trans | -135.3 | 61.1 | -180 | -56.7 | 176.8 | -169.1 | 171.8 | 0 | 111.8 | D284 F285 E289 A290 E392 | D284-K287 HydrophobicContact CB-CB 4.5Å; D284-K287 CarbonylContact O-C 3.57Å; D284-K287 VanDerWaalsContact O-C 3.28Å; D284-K287 PolarHBondContact O-N 3.47Å; F285-K287 VanDerWaalsContact C-N 3.25Å; K287-E289 PolarHBondContact O-N 3.1Å; K287-E289 VanDerWaalsContact O-N 3.12Å; K287-A290 HydrophobicContact CB-CB 3.98Å; K287-A290 WeakPolarHBondContact O-CB 3.35Å; K287-A290 PolarHBondContact O-N 3.44Å; K287-E392 IonicContact NZ-OE1 3.37Å; K287-E392 PolarHBondContact NZ-OE1 3.12Å | ||
| 288 | P | 93.6 | Very high | 95.7 | Very high | 51 Ų | 51 | 36.6 Ų | 36.6 | 33% | 0.331 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23.3 | -171.7 | 25.2 | -32.5 | 0 | 0 | 0 | 114.1 | I282 | I282-P288 HydrophobicContact CD1-CB 4.21Å; I282-P288 HydrophobicContact CG2-CB 4.42Å |
| 289 | E | 94.6 | Very high | 95.7 | Very high | 102 Ų | 102 | 36.9 Ų | 36.9 | 48% | 0.477 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -16.8 | 178.1 | -55 | 79.3 | -174.1 | 0 | 0 | 113.6 | K287 L292 Q293 | K287-E289 PolarHBondContact O-N 3.1Å; K287-E289 VanDerWaalsContact O-N 3.12Å; E289-L292 PolarHBondContact O-N 3.11Å; E289-L292 VanDerWaalsContact O-N 3.13Å; E289-Q293 WeakPolarHBondContact O-CG 3.18Å; E289-Q293 PolarHBondContact O-N 3.35Å; E289-Q293 VanDerWaalsContact O-N 3.1Å |
| 290 | A | 95.2 | Very high | 95.8 | Very high | 12 Ų | 12 | 32.6 Ų | 32.6 | 10% | 0.099 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.8 | -43.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K287 L292 Q293 I294 | K287-A290 HydrophobicContact CB-CB 3.98Å; K287-A290 WeakPolarHBondContact O-CB 3.35Å; K287-A290 PolarHBondContact O-N 3.44Å; A290-L292 VanDerWaalsContact C-N 3.3Å; A290-L292 PolarHBondContact O-N 3.44Å; A290-Q293 WeakPolarHBondContact O-CB 3.5Å; A290-Q293 PolarHBondContact O-N 3.03Å; A290-Q293 VanDerWaalsContact O-N 3.11Å; A290-I294 WeakPolarHBondContact O-CD1 3.39Å; A290-I294 WeakPolarHBondContact O-CG1 3.42Å; A290-I294 PolarHBondContact O-N 3.46Å |
| 291 | P | 96.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.019 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.4 | -39.5 | 178.4 | -25.9 | 35.6 | 0 | 0 | 0 | 113.7 | V280 L281 H295 Y387 | V280-P291 HydrophobicContact CB-CB 3.81Å; V280-P291 HydrophobicContact CG1-CB 4.2Å; V280-P291 HydrophobicContact CG2-CB 3.91Å; L281-P291 WeakPolarHBondContact O-CG 3.35Å; P291-H295 WeakPolarHBondContact O-CB 3.35Å; P291-H295 PolarHBondContact O-N 2.84Å; P291-Y387 HydrophobicContact CB-CD2 4.3Å; P291-Y387 WeakPolarHBondContact O-CD2 3.48Å |
| 292 | L | 96.6 | Very high | 95.9 | Very high | 27 Ų | 27 | 29.5 Ų | 29.5 | 14% | 0.141 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -72.5 | -34.6 | 177.4 | -68.2 | 178 | 0 | 0 | 0 | 112 | P278 V280 E289 A290 H295 A296 N336 V338 | P278-L292 HydrophobicContact CB-CD2 4.45Å; P278-L292 HydrophobicContact CG-CD2 3.55Å; V280-L292 HydrophobicContact CG1-CD2 3.94Å; V280-L292 HydrophobicContact CG2-CD2 4.04Å; V280-L292 HydrophobicContact CG2-CG 4.14Å; E289-L292 PolarHBondContact O-N 3.11Å; E289-L292 VanDerWaalsContact O-N 3.13Å; A290-L292 VanDerWaalsContact C-N 3.3Å; A290-L292 PolarHBondContact O-N 3.44Å; L292-H295 WeakPolarHBondContact O-CB 3.49Å; L292-H295 PolarHBondContact O-N 2.82Å; L292-A296 PolarHBondContact O-N 2.93Å; L292-A296 VanDerWaalsContact O-N 3.08Å; L292-N336 HydrophobicContact CD1-CB 4.3Å; L292-V338 HydrophobicContact CB-CB 4.44Å; L292-V338 HydrophobicContact CB-CG1 3.69Å; L292-V338 HydrophobicContact CB-CG2 3.92Å; L292-V338 HydrophobicContact CD1-CG1 3.62Å; L292-V338 HydrophobicContact CG-CG1 4.31Å |
| 293 | Q | 97.1 | Very high | 95.9 | Very high | 31 Ų | 31 | 30.5 Ų | 30.5 | 15% | 0.145 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.5 | -44.3 | 174 | -67.4 | 173.8 | -16.9 | 0 | 0 | 111.2 | E289 A290 A296 A297 V338 A339 N341 | E289-Q293 WeakPolarHBondContact O-CG 3.18Å; E289-Q293 PolarHBondContact O-N 3.35Å; E289-Q293 VanDerWaalsContact O-N 3.1Å; A290-Q293 WeakPolarHBondContact O-CB 3.5Å; A290-Q293 PolarHBondContact O-N 3.03Å; A290-Q293 VanDerWaalsContact O-N 3.11Å; Q293-A296 PolarHBondContact O-N 3.08Å; Q293-A297 WeakPolarHBondContact O-CB 3.47Å; Q293-A297 PolarHBondContact O-N 3.11Å; Q293-V338 HydrophobicContact CG-CB 4.44Å; Q293-V338 HydrophobicContact CG-CG2 3.81Å; Q293-A339 WeakPolarHBondContact CG-O 3.45Å; Q293-A339 PolarHBondContact NE2-O 3.25Å; Q293-N341 HydrophobicContact CB-CB 4.37Å; Q293-N341 HydrophobicContact CG-CB 4.29Å; Q293-N341 PolarHBondContact OE1-ND2 3.37Å |
| 294 | I | 97.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.2 | -40.2 | 176.8 | -59.3 | 157.6 | 0 | 0 | 0 | 110.3 | C161 A290 A296 A297 M298 V344 Y387 D389 | C161-I294 HydrophobicContact CB-CG2 4.26Å; A290-I294 WeakPolarHBondContact O-CD1 3.39Å; A290-I294 WeakPolarHBondContact O-CG1 3.42Å; A290-I294 PolarHBondContact O-N 3.46Å; I294-A296 PolarHBondContact O-N 2.74Å; I294-A297 PolarHBondContact O-N 3.13Å; I294-M298 HydrophobicContact CG2-CG 3.93Å; I294-M298 WeakPolarHBondContact O-CB 3.32Å; I294-M298 VanDerWaalsContact O-CG 3.24Å; I294-M298 WeakPolarHBondContact O-CG 3.3Å; I294-M298 PolarHBondContact O-N 3.07Å; I294-V344 HydrophobicContact CG1-CG1 4.2Å; I294-Y387 HydrophobicContact CB-CD1 4.1Å; I294-Y387 HydrophobicContact CB-CG 4.27Å; I294-Y387 HydrophobicContact CG2-CD1 3.53Å; I294-Y387 HydrophobicContact CG2-CE1 4.3Å; I294-Y387 HydrophobicContact CG2-CG 4.13Å; I294-D389 HydrophobicContact CD1-CB 3.89Å; I294-D389 WeakPolarHBondContact CD1-OD2 3.24Å; I294-D389 HydrophobicContact CG1-CB 4.39Å |
| 295 | H | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -53.6 | -55 | 173.8 | -179.8 | 88.1 | 0 | 0 | 0 | 111 | L275 P291 L292 A297 M298 L299 Y387 | L275-H295 PolarHBondContact O-NE2 3.23Å; P291-H295 WeakPolarHBondContact O-CB 3.35Å; P291-H295 PolarHBondContact O-N 2.84Å; L292-H295 WeakPolarHBondContact O-CB 3.49Å; L292-H295 PolarHBondContact O-N 2.82Å; H295-A297 VanDerWaalsContact C-N 3.34Å; H295-A297 PolarHBondContact O-N 2.83Å; H295-M298 PolarHBondContact O-N 3.41Å; H295-L299 WeakPolarHBondContact NE2-CD1 3.46Å; H295-L299 WeakPolarHBondContact O-CG 3.5Å; H295-L299 PolarHBondContact O-N 2.98Å; H295-Y387 HydrophobicContact CB-CD2 4.47Å; H295-Y387 HydrophobicContact CB-CE1 4.35Å; H295-Y387 HydrophobicContact CB-CE2 3.75Å; H295-Y387 AromaticContact ND1-CE2 3.79Å; H295-Y387 AromaticContact ND1-CZ 3.51Å; H295-Y387 PolarHBondContact ND1-OH 3.35Å |
| 296 | A | 97.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.1 | -43.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L292 Q293 I294 L299 A300 T327 L334 | L292-A296 PolarHBondContact O-N 2.93Å; L292-A296 VanDerWaalsContact O-N 3.08Å; Q293-A296 PolarHBondContact O-N 3.08Å; I294-A296 PolarHBondContact O-N 2.74Å; A296-L299 PolarHBondContact O-N 3.48Å; A296-A300 WeakPolarHBondContact O-CB 3.49Å; A296-A300 PolarHBondContact O-N 3.12Å; A296-T327 HydrophobicContact CB-CG2 4.02Å; A296-L334 HydrophobicContact CB-CD1 3.96Å |
| 297 | A | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.6 | -40.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q293 I294 H295 A300 L301 T327 V345 L348 | Q293-A297 WeakPolarHBondContact O-CB 3.47Å; Q293-A297 PolarHBondContact O-N 3.11Å; I294-A297 PolarHBondContact O-N 3.13Å; H295-A297 VanDerWaalsContact C-N 3.34Å; H295-A297 PolarHBondContact O-N 2.83Å; A297-A300 WeakPolarHBondContact O-CB 3.32Å; A297-A300 PolarHBondContact O-N 2.89Å; A297-L301 PolarHBondContact O-N 2.85Å; A297-T327 HydrophobicContact CB-CG2 4.38Å; A297-V345 HydrophobicContact CB-CG2 3.87Å; A297-L348 HydrophobicContact CB-CD2 3.92Å |
| 298 | M | 97.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.4 | -36.9 | 178.1 | -69.8 | -74.7 | -120.3 | 0 | 0 | 111.6 | Y158 C161 R163 I294 H295 A300 L301 D302 L348 | Y158-M298 HydrophobicContact CD2-CE 3.9Å; Y158-M298 HydrophobicContact CD2-SD 3.91Å; C161-M298 HydrophobicContact CB-CE 3.62Å; C161-M298 HydrophobicContact CB-SD 3.95Å; C161-M298 WeakPolarHBondContact O-CE 3.35Å; R163-M298 HydrophobicContact CB-CE 4.47Å; R163-M298 HydrophobicContact CG-CE 4.45Å; I294-M298 HydrophobicContact CG2-CG 3.93Å; I294-M298 WeakPolarHBondContact O-CB 3.32Å; I294-M298 VanDerWaalsContact O-CG 3.24Å; I294-M298 WeakPolarHBondContact O-CG 3.3Å; I294-M298 PolarHBondContact O-N 3.07Å; H295-M298 PolarHBondContact O-N 3.41Å; M298-A300 VanDerWaalsContact C-N 3.35Å; M298-L301 WeakPolarHBondContact O-CB 3.35Å; M298-L301 PolarHBondContact O-N 3.1Å; M298-L301 HydrophobicContact SD-CD2 4.39Å; M298-D302 PolarHBondContact O-N 3.23Å; M298-L348 HydrophobicContact CG-CD2 4.34Å; M298-L348 HydrophobicContact SD-CD1 4.08Å; M298-L348 HydrophobicContact SD-CD2 3.92Å |
| 299 | L | 97.3 | Very high | 96.9 | Very high | 12 Ų | 12 | 37 Ų | 37 | 6% | 0.063 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.6 | -38.4 | 171.5 | -67.9 | -171.4 | 0 | 0 | 0 | 112.3 | L133 L275 H295 A296 L301 D302 N303 V330 L334 | L133-L299 HydrophobicContact CD2-CD2 3.97Å; L275-L299 HydrophobicContact CD2-CD2 3.46Å; L275-L299 VanDerWaalsContact CD2-CD2 3.46Å; H295-L299 WeakPolarHBondContact NE2-CD1 3.46Å; H295-L299 WeakPolarHBondContact O-CG 3.5Å; H295-L299 PolarHBondContact O-N 2.98Å; A296-L299 PolarHBondContact O-N 3.48Å; L299-L301 VanDerWaalsContact C-N 3.26Å; L299-L301 PolarHBondContact O-N 3.43Å; L299-D302 PolarHBondContact O-N 2.63Å; L299-N303 PolarHBondContact O-N 3.28Å; L299-V330 HydrophobicContact CB-CG1 3.8Å; L299-V330 HydrophobicContact CD1-CG1 4.05Å; L299-L334 HydrophobicContact CD1-CD2 4.3Å |
| 300 | A | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.4 | -34.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A296 A297 M298 N303 F304 L323 L326 T327 V330 | A296-A300 WeakPolarHBondContact O-CB 3.49Å; A296-A300 PolarHBondContact O-N 3.12Å; A297-A300 WeakPolarHBondContact O-CB 3.32Å; A297-A300 PolarHBondContact O-N 2.89Å; M298-A300 VanDerWaalsContact C-N 3.35Å; A300-N303 PolarHBondContact O-N 3.49Å; A300-F304 WeakPolarHBondContact O-CB 3.49Å; A300-F304 PolarHBondContact O-N 3.45Å; A300-L323 VanDerWaalsContact C-CD1 3.48Å; A300-L323 HydrophobicContact CB-CD1 3.93Å; A300-L326 HydrophobicContact CB-CB 3.94Å; A300-T327 VanDerWaalsContact CB-OG1 3.23Å; A300-T327 WeakPolarHBondContact CB-OG1 3.42Å; A300-V330 HydrophobicContact CB-CG2 4.34Å |
| 301 | L | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.8 | -42.8 | 174.9 | -177 | 65 | 0 | 0 | 0 | 111.5 | Y158 A297 M298 L299 N303 F304 Q305 L311 P312 L323 L348 A352 | Y158-L301 HydrophobicContact CD1-CD2 3.99Å; Y158-L301 HydrophobicContact CD2-CD2 3.94Å; Y158-L301 HydrophobicContact CG-CD2 3.63Å; A297-L301 PolarHBondContact O-N 2.85Å; M298-L301 WeakPolarHBondContact O-CB 3.35Å; M298-L301 PolarHBondContact O-N 3.1Å; M298-L301 HydrophobicContact SD-CD2 4.39Å; L299-L301 VanDerWaalsContact C-N 3.26Å; L299-L301 PolarHBondContact O-N 3.43Å; L301-N303 VanDerWaalsContact C-N 3.33Å; L301-N303 PolarHBondContact O-N 3.46Å; L301-F304 WeakPolarHBondContact O-CB 3.47Å; L301-F304 PolarHBondContact O-N 2.79Å; L301-Q305 PolarHBondContact O-N 2.96Å; L301-L311 HydrophobicContact CD1-CD2 4.07Å; L301-L311 HydrophobicContact CG-CD2 4.28Å; L301-P312 VanDerWaalsContact CD1-CD 3.42Å; L301-P312 HydrophobicContact CD1-CG 3.71Å; L301-L323 HydrophobicContact CB-CD1 4.19Å; L301-L323 HydrophobicContact CD1-CD1 4.39Å; L301-L323 HydrophobicContact CD1-CD2 4.45Å; L301-L348 HydrophobicContact CB-CD2 4.47Å; L301-L348 HydrophobicContact CD2-CD1 4.04Å; L301-L348 HydrophobicContact CD2-CD2 4.31Å; L301-L348 HydrophobicContact CD2-CG 4.25Å; L301-A352 HydrophobicContact CD1-CB 4.01Å; L301-A352 HydrophobicContact CD2-CB 4.23Å |
| 302 | D | 97.5 | Very high | 97 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.032 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.2 | -46 | 172.3 | -66.2 | -50.2 | 0 | 0 | 0 | 110.5 | L133 R163 M298 L299 F304 Q305 V306 | L133-D302 HydrophobicContact CB-CB 4.16Å; L133-D302 HydrophobicContact CD2-CB 4.03Å; R163-D302 IonicContact CZ-OD1 2.67Å; R163-D302 IonicContact CZ-OD2 3.41Å; R163-D302 IonicContact NH1-OD1 3.54Å; R163-D302 IonicContact NH1-OD2 3.33Å; R163-D302 PolarHBondContact NH1-OD2 3.07Å; R163-D302 IonicContact NH2-OD1 3.6Å; R163-D302 PolarHBondContact NH2-OD1 3.29Å; R163-D302 IonicContact NH2-OD2 3.36Å; R163-D302 PolarHBondContact NH2-OD2 2.81Å; M298-D302 PolarHBondContact O-N 3.23Å; L299-D302 PolarHBondContact O-N 2.63Å; D302-F304 PolarHBondContact O-N 3.31Å; D302-Q305 PolarHBondContact O-N 2.88Å; D302-V306 WeakPolarHBondContact O-CG2 3.4Å; D302-V306 PolarHBondContact O-N 2.89Å |
| 303 | N | 97.4 | Very high | 97 | Very high | 76 Ų | 76 | 38.3 Ų | 38.3 | 41% | 0.406 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 176.4 | -76.4 | -9.8 | 0 | 0 | 0 | 112.8 | L299 A300 L301 Q305 V306 K307 V330 | L299-N303 PolarHBondContact O-N 3.28Å; A300-N303 PolarHBondContact O-N 3.49Å; L301-N303 VanDerWaalsContact C-N 3.33Å; L301-N303 PolarHBondContact O-N 3.46Å; N303-Q305 VanDerWaalsContact C-N 3.33Å; N303-V306 PolarHBondContact O-N 3.34Å; N303-K307 WeakPolarHBondContact O-CB 3.3Å; N303-K307 PolarHBondContact O-N 2.76Å; N303-V330 VanDerWaalsContact ND2-CG2 3.28Å; N303-V330 WeakPolarHBondContact ND2-CG2 3.43Å |
| 304 | F | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59 | -47.5 | 174.7 | -176.2 | -76.6 | 0 | 0 | 0 | 110.2 | A300 L301 D302 V306 K307 H308 R310 P312 D319 V322 L323 L326 | A300-F304 WeakPolarHBondContact O-CB 3.49Å; A300-F304 PolarHBondContact O-N 3.45Å; L301-F304 WeakPolarHBondContact O-CB 3.47Å; L301-F304 PolarHBondContact O-N 2.79Å; D302-F304 PolarHBondContact O-N 3.31Å; F304-V306 VanDerWaalsContact C-N 3.33Å; F304-V306 PolarHBondContact O-N 2.87Å; F304-K307 PolarHBondContact O-N 2.83Å; F304-H308 HydrophobicContact CD1-CB 4.3Å; F304-H308 AromaticContact CD2-CD2 3.73Å; F304-H308 HydrophobicContact CE1-CB 3.96Å; F304-H308 AromaticContact CE2-CD2 3.71Å; F304-H308 AromaticContact CG-CD2 3.91Å; F304-H308 HydrophobicContact CZ-CB 4.35Å; F304-H308 AromaticContact CZ-CD2 3.85Å; F304-H308 WeakPolarHBondContact O-CB 3.43Å; F304-H308 PolarHBondContact O-CD2 3.39Å; F304-H308 PolarHBondContact O-N 2.93Å; F304-R310 VanDerWaalsContact CD1-O 3.3Å; F304-R310 WeakPolarHBondContact CD1-O 3.27Å; F304-R310 HydrophobicContact CE1-CG 4.37Å; F304-R310 WeakPolarHBondContact CE1-O 3.49Å; F304-P312 HydrophobicContact CD1-CG 3.88Å; F304-P312 HydrophobicContact CD2-CG 4.41Å; F304-P312 HydrophobicContact CE1-CB 4.42Å; F304-P312 HydrophobicContact CE1-CG 3.85Å; F304-P312 HydrophobicContact CE2-CG 4.37Å; F304-P312 HydrophobicContact CG-CG 4.19Å; F304-P312 HydrophobicContact CZ-CB 4.44Å; F304-P312 HydrophobicContact CZ-CG 4.11Å; F304-D319 HydrophobicContact CE2-CB 4.32Å; F304-D319 HydrophobicContact CZ-CB 4.21Å; F304-V322 HydrophobicContact CD2-CG1 3.9Å; F304-V322 HydrophobicContact CE2-CB 4.19Å; F304-V322 HydrophobicContact CE2-CG1 3.78Å; F304-L323 HydrophobicContact CB-CD1 4.11Å; F304-L326 HydrophobicContact CB-CD1 3.86Å; F304-L326 HydrophobicContact CD2-CD1 4.02Å; F304-L326 HydrophobicContact CG-CD1 4.43Å |
| 305 | Q | 95.9 | Very high | 96.5 | Very high | 71 Ų | 71 | 38.8 Ų | 38.8 | 33% | 0.332 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62 | -40.4 | -179.9 | -174.1 | 175.4 | -5.2 | 0 | 0 | 112 | L301 D302 N303 C309 R310 | L301-Q305 PolarHBondContact O-N 2.96Å; D302-Q305 PolarHBondContact O-N 2.88Å; N303-Q305 VanDerWaalsContact C-N 3.33Å; Q305-C309 WeakPolarHBondContact O-CA 3.4Å; Q305-C309 PolarHBondContact O-N 3.08Å; Q305-R310 WeakPolarHBondContact CA-O 3.32Å |
| 306 | V | 94.4 | Very high | 96.3 | Very high | 100 Ų | 100 | 40 Ų | 40 | 61% | 0.606 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -65 | -44.9 | 175 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | D302 N303 F304 | D302-V306 WeakPolarHBondContact O-CG2 3.4Å; D302-V306 PolarHBondContact O-N 2.89Å; N303-V306 PolarHBondContact O-N 3.34Å; F304-V306 VanDerWaalsContact C-N 3.33Å; F304-V306 PolarHBondContact O-N 2.87Å |
| 307 | K | 96.3 | Very high | 96 | Very high | 141 Ų | 141 | 45.2 Ų | 45.2 | 61% | 0.613 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -72.7 | -34.8 | -175.5 | -172.3 | 175 | -177.2 | 176.7 | 0 | 113.3 | N303 F304 | N303-K307 WeakPolarHBondContact O-CB 3.3Å; N303-K307 PolarHBondContact O-N 2.76Å; F304-K307 PolarHBondContact O-N 2.83Å |
| 308 | H | 96.1 | Very high | 95.9 | Very high | 73 Ų | 73 | 51.9 Ų | 51.9 | 34% | 0.338 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -110 | -4.3 | -173 | -64.8 | -75 | 0 | 0 | 0 | 114 | F304 R310 | F304-H308 HydrophobicContact CD1-CB 4.3Å; F304-H308 AromaticContact CD2-CD2 3.73Å; F304-H308 HydrophobicContact CE1-CB 3.96Å; F304-H308 AromaticContact CE2-CD2 3.71Å; F304-H308 AromaticContact CG-CD2 3.91Å; F304-H308 HydrophobicContact CZ-CB 4.35Å; F304-H308 AromaticContact CZ-CD2 3.85Å; F304-H308 WeakPolarHBondContact O-CB 3.43Å; F304-H308 PolarHBondContact O-CD2 3.39Å; F304-H308 PolarHBondContact O-N 2.93Å; H308-R310 HydrophobicContact CB-CG 4.1Å; H308-R310 PolarHBondContact O-N 2.99Å; H308-R310 VanDerWaalsContact O-N 3.16Å |
| 309 | C | 95.1 | Very high | 95.9 | Very high | 118 Ų | 118 | 52.5 Ų | 52.5 | 80% | 0.797 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 55 | 27.5 | -176.1 | -58.8 | 0 | 0 | 0 | 0 | 113.8 | Q305 | Q305-C309 WeakPolarHBondContact O-CA 3.4Å; Q305-C309 PolarHBondContact O-N 3.08Å |
| 310 | R | 95.6 | Very high | 95.9 | Very high | 73 Ų | 73 | 52 Ų | 52 | 28% | 0.275 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -159.4 | 159.4 | 179.1 | 66.5 | 175.3 | -179 | 81.7 | -3.1 | 110.3 | F304 Q305 H308 N313 D319 | F304-R310 VanDerWaalsContact CD1-O 3.3Å; F304-R310 WeakPolarHBondContact CD1-O 3.27Å; F304-R310 HydrophobicContact CE1-CG 4.37Å; F304-R310 WeakPolarHBondContact CE1-O 3.49Å; Q305-R310 WeakPolarHBondContact CA-O 3.32Å; H308-R310 HydrophobicContact CB-CG 4.1Å; H308-R310 PolarHBondContact O-N 2.99Å; H308-R310 VanDerWaalsContact O-N 3.16Å; R310-N313 PolarHBondContact NH1-ND2 3.37Å; R310-D319 IonicContact CZ-OD1 3.39Å; R310-D319 IonicContact CZ-OD2 2.74Å; R310-D319 IonicContact NH1-OD1 2.71Å; R310-D319 IonicContact NH1-OD2 2.92Å; R310-D319 PolarHBondContact NH1-OD2 3.34Å; R310-D319 IonicContact NH2-OD1 3.16Å; R310-D319 PolarHBondContact NH2-OD1 2.85Å; R310-D319 IonicContact NH2-OD2 3.81Å; R310-D319 PolarHBondContact NH2-OD2 2.86Å; R310-D319 VanDerWaalsContact NH2-OD2 3.16Å |
| 311 | L | 96.7 | Very high | 95.9 | Very high | 35 Ų | 35 | 55.8 Ų | 55.8 | 18% | 0.183 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 157.8 | 162.4 | -66.8 | 172.6 | 0 | 0 | 0 | 110.7 | Y158 L301 R353 | Y158-L311 HydrophobicContact CD1-CD1 4.38Å; Y158-L311 HydrophobicContact CD1-CD2 4.31Å; Y158-L311 HydrophobicContact CE1-CD1 4.36Å; Y158-L311 HydrophobicContact CE1-CD2 4.11Å; L301-L311 HydrophobicContact CD1-CD2 4.07Å; L301-L311 HydrophobicContact CG-CD2 4.28Å; L311-R353 HydrophobicContact CB-CG 3.77Å; L311-R353 HydrophobicContact CD1-CG 4.2Å; L311-R353 PolarHBondContact O-NE 2.69Å; L311-R353 PolarHBondContact O-NH2 3Å |
| 312 | P | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -47.3 | 144.2 | 167.7 | -30.7 | 38.6 | 0 | 0 | 0 | 112.1 | L301 F304 D319 S349 A352 R353 | L301-P312 VanDerWaalsContact CD1-CD 3.42Å; L301-P312 HydrophobicContact CD1-CG 3.71Å; F304-P312 HydrophobicContact CD1-CG 3.88Å; F304-P312 HydrophobicContact CD2-CG 4.41Å; F304-P312 HydrophobicContact CE1-CB 4.42Å; F304-P312 HydrophobicContact CE1-CG 3.85Å; F304-P312 HydrophobicContact CE2-CG 4.37Å; F304-P312 HydrophobicContact CG-CG 4.19Å; F304-P312 HydrophobicContact CZ-CB 4.44Å; F304-P312 HydrophobicContact CZ-CG 4.11Å; P312-D319 HydrophobicContact CB-CB 4Å; P312-S349 VanDerWaalsContact CB-O 3.3Å; P312-S349 WeakPolarHBondContact CB-O 3.1Å; P312-S349 WeakPolarHBondContact CB-OG 3.36Å; P312-A352 HydrophobicContact CG-CB 4.46Å; P312-R353 VanDerWaalsContact O-CD 3.27Å; P312-R353 WeakPolarHBondContact O-CD 3.35Å; P312-R353 WeakPolarHBondContact O-CG 3.01Å; P312-R353 PolarHBondContact O-NE 2.76Å |
| 313 | N | 95.9 | Very high | 95.9 | Very high | 64 Ų | 64 | 58 Ų | 58 | 34% | 0.342 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 145.2 | 178.5 | -69.1 | -37.6 | 0 | 0 | 0 | 110.3 | R310 G315 C316 D319 R353 | R310-N313 PolarHBondContact NH1-ND2 3.37Å; N313-G315 PolarHBondContact O-N 3.26Å; N313-C316 HydrophobicContact CB-CB 3.82Å; N313-C316 WeakPolarHBondContact O-CB 3.25Å; N313-C316 PolarHBondContact O-N 3.08Å; N313-C316 VanDerWaalsContact O-N 3.1Å; N313-D319 PolarHBondContact N-OD2 3.3Å; N313-R353 PolarHBondContact OD1-NH2 3.18Å |
| 314 | I | 94.4 | Very high | 96 | Very high | 35 Ų | 35 | 55 Ų | 55 | 18% | 0.179 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 127.5 | -178.1 | -60.5 | 165.3 | 0 | 0 | 0 | 109.7 | C316 R353 F405 A417 | I314-C316 PolarHBondContact O-N 3.02Å; I314-R353 HydrophobicContact CD1-CB 4.44Å; I314-R353 HydrophobicContact CG1-CB 4Å; I314-F405 HydrophobicContact CG2-CB 3.61Å; I314-F405 WeakPolarHBondContact CG2-O 3.4Å; I314-A417 HydrophobicContact CD1-CB 3.8Å; I314-A417 HydrophobicContact CG1-CB 4.11Å; I314-A417 HydrophobicContact CG2-CB 4.14Å |
| 315 | G | 90.1 | Very high | 95.9 | Very high | 7 Ų | 7 | 59 Ų | 59 | 7% | 0.072 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 6.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | N313 L317 R350 | N313-G315 PolarHBondContact O-N 3.26Å; G315-L317 PolarHBondContact O-N 3.02Å; G315-R350 PolarHBondContact N-O 3.01Å; G315-R350 VanDerWaalsContact N-O 3.08Å |
| 316 | C | 93.3 | Very high | 96.1 | Very high | 25 Ų | 25 | 56 Ų | 56 | 17% | 0.169 | 29% | 0.293 | C | S | . | . | trans | -76.5 | 117.2 | -175.3 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | N313 I314 Q318 D319 A320 | N313-C316 HydrophobicContact CB-CB 3.82Å; N313-C316 WeakPolarHBondContact O-CB 3.25Å; N313-C316 PolarHBondContact O-N 3.08Å; N313-C316 VanDerWaalsContact O-N 3.1Å; I314-C316 PolarHBondContact O-N 3.02Å; C316-Q318 PolarHBondContact SG-OE1 3.24Å; C316-D319 HydrophobicContact CB-CB 4.1Å; C316-D319 PolarHBondContact SG-N 3.41Å; C316-A320 PolarHBondContact O-N 3.22Å | ||
| 317 | L | 92.2 | Very high | 96.2 | Very high | 112 Ų | 112 | 51.3 Ų | 51.3 | 59% | 0.586 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -69.4 | -36.8 | 178.8 | -61.9 | 178.3 | 0 | 0 | 0 | 112.4 | G315 A320 E321 | G315-L317 PolarHBondContact O-N 3.02Å; L317-A320 WeakPolarHBondContact O-CB 3.47Å; L317-A320 PolarHBondContact O-N 3.27Å; L317-E321 PolarHBondContact O-N 3.32Å |
| 318 | Q | 96.2 | Very high | 96.3 | Very high | 140 Ų | 140 | 49.4 Ų | 49.4 | 65% | 0.654 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -65.3 | -45.9 | 179.4 | -66.9 | 78.1 | 10 | 0 | 0 | 111.4 | C316 A320 E321 V322 | C316-Q318 PolarHBondContact SG-OE1 3.24Å; Q318-A320 PolarHBondContact O-N 3.18Å; Q318-E321 PolarHBondContact O-N 3Å; Q318-V322 WeakPolarHBondContact O-CG2 3.41Å; Q318-V322 PolarHBondContact O-N 2.83Å |
| 319 | D | 97.6 | Very high | 96.3 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 8% | 0.075 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.4 | -34.4 | 175.5 | -75 | -14.3 | 0 | 0 | 0 | 111.2 | F304 R310 P312 N313 C316 V322 L323 | F304-D319 HydrophobicContact CE2-CB 4.32Å; F304-D319 HydrophobicContact CZ-CB 4.21Å; R310-D319 IonicContact CZ-OD1 3.39Å; R310-D319 IonicContact CZ-OD2 2.74Å; R310-D319 IonicContact NH1-OD1 2.71Å; R310-D319 IonicContact NH1-OD2 2.92Å; R310-D319 PolarHBondContact NH1-OD2 3.34Å; R310-D319 IonicContact NH2-OD1 3.16Å; R310-D319 PolarHBondContact NH2-OD1 2.85Å; R310-D319 IonicContact NH2-OD2 3.81Å; R310-D319 PolarHBondContact NH2-OD2 2.86Å; R310-D319 VanDerWaalsContact NH2-OD2 3.16Å; P312-D319 HydrophobicContact CB-CB 4Å; N313-D319 PolarHBondContact N-OD2 3.3Å; C316-D319 HydrophobicContact CB-CB 4.1Å; C316-D319 PolarHBondContact SG-N 3.41Å; D319-V322 PolarHBondContact O-N 3.41Å; D319-L323 WeakPolarHBondContact O-CB 3.24Å; D319-L323 PolarHBondContact O-N 2.79Å |
| 320 | A | 96.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.5 | -40.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | C316 L317 Q318 L323 L324 R346 S349 | C316-A320 PolarHBondContact O-N 3.22Å; L317-A320 WeakPolarHBondContact O-CB 3.47Å; L317-A320 PolarHBondContact O-N 3.27Å; Q318-A320 PolarHBondContact O-N 3.18Å; A320-L323 PolarHBondContact O-N 3.11Å; A320-L324 WeakPolarHBondContact O-CB 2.98Å; A320-L324 PolarHBondContact O-N 2.66Å; A320-R346 HydrophobicContact CB-CB 4.44Å; A320-R346 HydrophobicContact CB-CG 4.17Å; A320-S349 VanDerWaalsContact CA-OG 3.22Å; A320-S349 WeakPolarHBondContact CA-OG 3.48Å; A320-S349 PolarHBondContact N-OG 2.9Å |
| 321 | E | 97.9 | Very high | 96.3 | Very high | 79 Ų | 79 | 43.7 Ų | 43.7 | 37% | 0.369 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.1 | -34.5 | 173.7 | -64.6 | -57.3 | 130.3 | 0 | 0 | 111.9 | L317 Q318 L324 N325 R346 | L317-E321 PolarHBondContact O-N 3.32Å; Q318-E321 PolarHBondContact O-N 3Å; E321-L324 PolarHBondContact O-N 2.74Å; E321-N325 PolarHBondContact O-N 3.1Å; E321-N325 VanDerWaalsContact O-N 3.08Å; E321-N325 PolarHBondContact O-ND2 2.71Å; E321-R346 IonicContact OE1-CZ 2.83Å; E321-R346 VanDerWaalsContact OE1-CZ 3.32Å; E321-R346 IonicContact OE1-NE 3.55Å; E321-R346 PolarHBondContact OE1-NE 2.96Å; E321-R346 IonicContact OE1-NH2 3.32Å; E321-R346 PolarHBondContact OE1-NH2 3.2Å; E321-R346 IonicContact OE2-NH2 3.86Å |
| 322 | V | 98.4 | Very high | 96.2 | Very high | 52 Ų | 52 | 46.2 Ų | 46.2 | 32% | 0.315 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 171.4 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | F304 Q318 D319 L324 N325 L326 | F304-V322 HydrophobicContact CD2-CG1 3.9Å; F304-V322 HydrophobicContact CE2-CB 4.19Å; F304-V322 HydrophobicContact CE2-CG1 3.78Å; Q318-V322 WeakPolarHBondContact O-CG2 3.41Å; Q318-V322 PolarHBondContact O-N 2.83Å; D319-V322 PolarHBondContact O-N 3.41Å; V322-L324 VanDerWaalsContact C-N 3.32Å; V322-L324 PolarHBondContact O-N 3.34Å; V322-N325 PolarHBondContact O-N 3.39Å; V322-L326 HydrophobicContact CG1-CD1 4.19Å; V322-L326 WeakPolarHBondContact O-CG 3.32Å; V322-L326 PolarHBondContact O-N 2.9Å |
| 323 | L | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.9 | -36.8 | 178.1 | -170.6 | 66.7 | 0 | 0 | 0 | 111.9 | A300 L301 F304 D319 A320 L326 T327 V345 L348 | A300-L323 VanDerWaalsContact C-CD1 3.48Å; A300-L323 HydrophobicContact CB-CD1 3.93Å; L301-L323 HydrophobicContact CB-CD1 4.19Å; L301-L323 HydrophobicContact CD1-CD1 4.39Å; L301-L323 HydrophobicContact CD1-CD2 4.45Å; F304-L323 HydrophobicContact CB-CD1 4.11Å; D319-L323 WeakPolarHBondContact O-CB 3.24Å; D319-L323 PolarHBondContact O-N 2.79Å; A320-L323 PolarHBondContact O-N 3.11Å; L323-L326 PolarHBondContact O-N 2.79Å; L323-T327 WeakPolarHBondContact O-CB 3.44Å; L323-T327 PolarHBondContact O-N 2.94Å; L323-T327 PolarHBondContact O-OG1 2.64Å; L323-V345 HydrophobicContact CB-CG1 4.15Å; L323-V345 HydrophobicContact CD2-CG1 3.95Å; L323-V345 HydrophobicContact CG-CG1 3.78Å; L323-L348 HydrophobicContact CD2-CG 4.43Å |
| 324 | L | 98.4 | Very high | 95.8 | Very high | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -49.3 | 175.1 | -175.5 | 59.1 | 0 | 0 | 0 | 111.7 | A320 E321 V322 L326 T327 E328 V340 A342 V345 | A320-L324 WeakPolarHBondContact O-CB 2.98Å; A320-L324 PolarHBondContact O-N 2.66Å; E321-L324 PolarHBondContact O-N 2.74Å; V322-L324 VanDerWaalsContact C-N 3.32Å; V322-L324 PolarHBondContact O-N 3.34Å; L324-L326 VanDerWaalsContact C-N 3.35Å; L324-L326 PolarHBondContact O-N 3.46Å; L324-T327 WeakPolarHBondContact O-CB 3.47Å; L324-T327 PolarHBondContact O-N 3.44Å; L324-E328 PolarHBondContact O-N 3.47Å; L324-V340 HydrophobicContact CD1-CG1 3.79Å; L324-A342 HydrophobicContact CD1-CB 3.9Å; L324-A342 HydrophobicContact CD2-CB 4.05Å; L324-V345 HydrophobicContact CB-CG1 4.26Å; L324-V345 HydrophobicContact CD1-CB 4.18Å; L324-V345 HydrophobicContact CD1-CG1 4.31Å; L324-V345 HydrophobicContact CD1-CG2 4.3Å |
| 325 | N | 98.1 | Very high | 95.7 | Very high | 84 Ų | 84 | 52.5 Ų | 52.5 | 45% | 0.449 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 176.3 | -67.1 | -31.4 | 0 | 0 | 0 | 111.8 | E321 V322 T327 E328 E329 | E321-N325 PolarHBondContact O-N 3.1Å; E321-N325 VanDerWaalsContact O-N 3.08Å; E321-N325 PolarHBondContact O-ND2 2.71Å; V322-N325 PolarHBondContact O-N 3.39Å; N325-T327 VanDerWaalsContact C-N 3.25Å; N325-T327 PolarHBondContact O-N 2.9Å; N325-E328 PolarHBondContact O-N 2.99Å; N325-E329 WeakPolarHBondContact O-CG 3.3Å; N325-E329 PolarHBondContact O-N 2.88Å |
| 326 | L | 98.3 | Very high | 95.4 | Very high | 10 Ų | 10 | 55.3 Ų | 55.3 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62 | -34.4 | 175.3 | -71.1 | 173.3 | 0 | 0 | 0 | 112.1 | A300 F304 V322 L323 L324 E329 V330 | A300-L326 HydrophobicContact CB-CB 3.94Å; F304-L326 HydrophobicContact CB-CD1 3.86Å; F304-L326 HydrophobicContact CD2-CD1 4.02Å; F304-L326 HydrophobicContact CG-CD1 4.43Å; V322-L326 HydrophobicContact CG1-CD1 4.19Å; V322-L326 WeakPolarHBondContact O-CG 3.32Å; V322-L326 PolarHBondContact O-N 2.9Å; L323-L326 PolarHBondContact O-N 2.79Å; L324-L326 VanDerWaalsContact C-N 3.35Å; L324-L326 PolarHBondContact O-N 3.46Å; L326-E329 PolarHBondContact O-N 3.29Å; L326-V330 WeakPolarHBondContact O-CB 3.42Å; L326-V330 VanDerWaalsContact O-CG2 3.29Å; L326-V330 WeakPolarHBondContact O-CG2 3.18Å; L326-V330 PolarHBondContact O-N 3.45Å |
| 327 | T | 98.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 176.9 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | A296 A297 A300 L323 L324 N325 V330 N331 V340 V345 | A296-T327 HydrophobicContact CB-CG2 4.02Å; A297-T327 HydrophobicContact CB-CG2 4.38Å; A300-T327 VanDerWaalsContact CB-OG1 3.23Å; A300-T327 WeakPolarHBondContact CB-OG1 3.42Å; L323-T327 WeakPolarHBondContact O-CB 3.44Å; L323-T327 PolarHBondContact O-N 2.94Å; L323-T327 PolarHBondContact O-OG1 2.64Å; L324-T327 WeakPolarHBondContact O-CB 3.47Å; L324-T327 PolarHBondContact O-N 3.44Å; N325-T327 VanDerWaalsContact C-N 3.25Å; N325-T327 PolarHBondContact O-N 2.9Å; T327-V330 PolarHBondContact O-N 3.01Å; T327-N331 VanDerWaalsContact O-CB 3.23Å; T327-N331 WeakPolarHBondContact O-CB 3.16Å; T327-N331 PolarHBondContact O-N 3.47Å; T327-V340 HydrophobicContact CG2-CG1 3.74Å; T327-V340 HydrophobicContact CG2-CG2 4.19Å; T327-V345 HydrophobicContact CG2-CG2 3.84Å |
| 328 | E | 97.6 | Very high | 95.2 | Very high | 100 Ų | 100 | 56.1 Ų | 56.1 | 47% | 0.467 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 172.9 | -67.9 | -177.4 | 171.1 | 0 | 0 | 111.3 | L324 N325 N331 T332 V340 | L324-E328 PolarHBondContact O-N 3.47Å; N325-E328 PolarHBondContact O-N 2.99Å; E328-N331 PolarHBondContact O-N 2.7Å; E328-T332 VanDerWaalsContact O-CG2 3.29Å; E328-T332 WeakPolarHBondContact O-CG2 3.44Å; E328-T332 PolarHBondContact O-N 3.14Å; E328-T332 VanDerWaalsContact O-N 3.17Å; E328-V340 HydrophobicContact CG-CG2 4.19Å |
| 329 | E | 96.5 | Very high | 95.1 | Very high | 114 Ų | 114 | 53.3 Ų | 53.3 | 53% | 0.533 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.2 | -52.7 | 175.4 | -72.6 | 175.9 | -167.2 | 0 | 0 | 111.6 | N325 L326 N331 T332 | N325-E329 WeakPolarHBondContact O-CG 3.3Å; N325-E329 PolarHBondContact O-N 2.88Å; L326-E329 PolarHBondContact O-N 3.29Å; E329-N331 VanDerWaalsContact C-N 3.33Å; E329-N331 PolarHBondContact O-N 3.34Å; E329-T332 WeakPolarHBondContact O-CB 3.36Å; E329-T332 PolarHBondContact O-N 3.36Å; E329-T332 VanDerWaalsContact O-N 3.12Å; E329-T332 PolarHBondContact O-OG1 3.34Å |
| 330 | V | 95.7 | Very high | 95 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.4 | -45.3 | 178.2 | 166.7 | 0 | 0 | 0 | 0 | 111.1 | L299 A300 N303 L326 T327 T332 T333 L334 | L299-V330 HydrophobicContact CB-CG1 3.8Å; L299-V330 HydrophobicContact CD1-CG1 4.05Å; A300-V330 HydrophobicContact CB-CG2 4.34Å; N303-V330 VanDerWaalsContact ND2-CG2 3.28Å; N303-V330 WeakPolarHBondContact ND2-CG2 3.43Å; L326-V330 WeakPolarHBondContact O-CB 3.42Å; L326-V330 VanDerWaalsContact O-CG2 3.29Å; L326-V330 WeakPolarHBondContact O-CG2 3.18Å; L326-V330 PolarHBondContact O-N 3.45Å; T327-V330 PolarHBondContact O-N 3.01Å; V330-T332 PolarHBondContact O-N 3.34Å; V330-T333 WeakPolarHBondContact O-CA 3.22Å; V330-T333 WeakPolarHBondContact O-CB 3.46Å; V330-T333 PolarHBondContact O-N 2.82Å; V330-T333 PolarHBondContact O-OG1 2.79Å; V330-L334 PolarHBondContact O-N 2.92Å |
| 331 | N | 95.5 | Very high | 95 | Very high | 21 Ų | 21 | 56.7 Ų | 56.7 | 11% | 0.112 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.1 | -27.5 | -179.9 | -173.7 | 51.4 | 0 | 0 | 0 | 112.5 | T327 E328 E329 T333 L334 K337 V338 V340 | T327-N331 VanDerWaalsContact O-CB 3.23Å; T327-N331 WeakPolarHBondContact O-CB 3.16Å; T327-N331 PolarHBondContact O-N 3.47Å; E328-N331 PolarHBondContact O-N 2.7Å; E329-N331 VanDerWaalsContact C-N 3.33Å; E329-N331 PolarHBondContact O-N 3.34Å; N331-T333 PolarHBondContact O-N 3.31Å; N331-L334 PolarHBondContact O-N 2.91Å; N331-K337 WeakPolarHBondContact O-CG 3.36Å; N331-V338 PolarHBondContact ND2-O 3.39Å; N331-V338 PolarHBondContact OD1-N 3.06Å; N331-V338 PolarHBondContact OD1-O 2.94Å; N331-V340 HydrophobicContact CB-CG2 4.07Å |
| 332 | T | 94.2 | Very high | 94.9 | Very high | 88 Ų | 88 | 54.2 Ų | 54.2 | 54% | 0.54 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.1 | -24.7 | 173.2 | 72.9 | 0 | 0 | 0 | 0 | 113.7 | E328 E329 V330 K337 | E328-T332 VanDerWaalsContact O-CG2 3.29Å; E328-T332 WeakPolarHBondContact O-CG2 3.44Å; E328-T332 PolarHBondContact O-N 3.14Å; E328-T332 VanDerWaalsContact O-N 3.17Å; E329-T332 WeakPolarHBondContact O-CB 3.36Å; E329-T332 PolarHBondContact O-N 3.36Å; E329-T332 VanDerWaalsContact O-N 3.12Å; E329-T332 PolarHBondContact O-OG1 3.34Å; V330-T332 PolarHBondContact O-N 3.34Å; T332-K337 WeakPolarHBondContact O-CE 3.43Å; T332-K337 PolarHBondContact O-NZ 3.4Å |
| 333 | T | 91.8 | Very high | 94.7 | Very high | 97 Ų | 97 | 54.4 Ų | 54.4 | 60% | 0.595 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -88.4 | -18.9 | -178.5 | 73.5 | 0 | 0 | 0 | 0 | 113.3 | V330 N331 | V330-T333 WeakPolarHBondContact O-CA 3.22Å; V330-T333 WeakPolarHBondContact O-CB 3.46Å; V330-T333 PolarHBondContact O-N 2.82Å; V330-T333 PolarHBondContact O-OG1 2.79Å; N331-T333 PolarHBondContact O-N 3.31Å |
| 334 | L | 92.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | trans | -72.1 | 144.7 | 177.9 | -60.9 | -179.3 | 0 | 0 | 0 | 111.2 | L275 A296 L299 V330 N331 K337 | L275-L334 WeakPolarHBondContact O-CD2 3.22Å; A296-L334 HydrophobicContact CB-CD1 3.96Å; L299-L334 HydrophobicContact CD1-CD2 4.3Å; V330-L334 PolarHBondContact O-N 2.92Å; N331-L334 PolarHBondContact O-N 2.91Å; L334-K337 VanDerWaalsContact O-CE 3.31Å; L334-K337 WeakPolarHBondContact O-CE 3.34Å; L334-K337 WeakPolarHBondContact O-CG 3.21Å | ||
| 335 | L | 91.3 | Very high | 94.5 | Very high | 128 Ų | 128 | 54.3 Ų | 54.3 | 67% | 0.67 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -72.6 | -40 | 172.4 | -71.4 | 174.3 | 0 | 0 | 0 | 111.1 | C276 N277 K337 | C276-L335 PolarHBondContact O-N 3.43Å; N277-L335 HydrophobicContact CB-CB 4.4Å; N277-L335 HydrophobicContact CB-CD1 3.91Å; L335-K337 PolarHBondContact O-N 3.37Å |
| 336 | N | 85.4 | Confident | 94.4 | Very high | 66 Ų | 66 | 54.1 Ų | 54.1 | 35% | 0.353 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -97.3 | 76.3 | 177.6 | -59.2 | -26.9 | 0 | 0 | 0 | 110.4 | N277 L292 | N277-N336 PolarHBondContact OD1-ND2 2.84Å; L292-N336 HydrophobicContact CD1-CB 4.3Å |
| 337 | K | 89.4 | Confident | 94.2 | Very high | 131 Ų | 131 | 53.7 Ų | 53.7 | 57% | 0.57 | 29% | 0.292 | S | S | * | . | trans | -67.9 | 138.5 | -179 | -55.7 | -172.1 | 176.7 | -176.4 | 0 | 111 | N331 T332 L334 L335 | N331-K337 WeakPolarHBondContact O-CG 3.36Å; T332-K337 WeakPolarHBondContact O-CE 3.43Å; T332-K337 PolarHBondContact O-NZ 3.4Å; L334-K337 VanDerWaalsContact O-CE 3.31Å; L334-K337 WeakPolarHBondContact O-CE 3.34Å; L334-K337 WeakPolarHBondContact O-CG 3.21Å; L335-K337 PolarHBondContact O-N 3.37Å | ||
| 338 | V | 90.3 | Very high | 94.1 | Very high | 24 Ų | 24 | 53.6 Ų | 53.6 | 15% | 0.145 | 29% | 0.292 | C | S | . | . | trans | -128 | 159.6 | 173.9 | -66.7 | 0 | 0 | 0 | 0 | 111 | L292 Q293 N331 V340 | L292-V338 HydrophobicContact CB-CB 4.44Å; L292-V338 HydrophobicContact CB-CG1 3.69Å; L292-V338 HydrophobicContact CB-CG2 3.92Å; L292-V338 HydrophobicContact CD1-CG1 3.62Å; L292-V338 HydrophobicContact CG-CG1 4.31Å; Q293-V338 HydrophobicContact CG-CB 4.44Å; Q293-V338 HydrophobicContact CG-CG2 3.81Å; N331-V338 PolarHBondContact ND2-O 3.39Å; N331-V338 PolarHBondContact OD1-N 3.06Å; N331-V338 PolarHBondContact OD1-O 2.94Å; V338-V340 PolarHBondContact O-N 3.27Å | ||
| 339 | A | 94.9 | Very high | 94.1 | Very high | 81 Ų | 81 | 48.9 Ų | 48.9 | 67% | 0.669 | 27% | 0.269 | S | S | * | . | trans | -63.1 | 125.5 | 170 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q293 N341 | Q293-A339 WeakPolarHBondContact CG-O 3.45Å; Q293-A339 PolarHBondContact NE2-O 3.25Å; A339-N341 PolarHBondContact O-N 2.65Å | ||
| 340 | V | 96.1 | Very high | 94 | Very high | 39 Ų | 39 | 44.8 Ų | 44.8 | 24% | 0.236 | 25% | 0.249 | C | C | . | . | trans | -67.7 | 127.4 | 179.2 | 175.5 | 0 | 0 | 0 | 0 | 109.3 | L324 T327 E328 N331 V338 A342 V345 | L324-V340 HydrophobicContact CD1-CG1 3.79Å; T327-V340 HydrophobicContact CG2-CG1 3.74Å; T327-V340 HydrophobicContact CG2-CG2 4.19Å; E328-V340 HydrophobicContact CG-CG2 4.19Å; N331-V340 HydrophobicContact CB-CG2 4.07Å; V338-V340 PolarHBondContact O-N 3.27Å; V340-A342 PolarHBondContact O-N 3.23Å; V340-V345 HydrophobicContact CG1-CG2 4.09Å | ||
| 341 | N | 95.9 | Very high | 94 | Very high | 48 Ų | 48 | 44.4 Ų | 44.4 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | trans | -91.5 | 98.2 | 176.7 | -174.1 | -25 | 0 | 0 | 0 | 109.9 | Q293 A339 D343 V344 V345 | Q293-N341 HydrophobicContact CB-CB 4.37Å; Q293-N341 HydrophobicContact CG-CB 4.29Å; Q293-N341 PolarHBondContact OE1-ND2 3.37Å; A339-N341 PolarHBondContact O-N 2.65Å; N341-D343 PolarHBondContact O-N 2.66Å; N341-D343 WeakPolarHBondContact OD1-CB 3.36Å; N341-D343 PolarHBondContact OD1-N 3.1Å; N341-V344 HydrophobicContact CB-CB 4.26Å; N341-V344 HydrophobicContact CB-CG2 4.18Å; N341-V344 PolarHBondContact O-N 2.63Å; N341-V344 PolarHBondContact OD1-N 3.05Å; N341-V345 WeakPolarHBondContact O-CG2 3.4Å; N341-V345 PolarHBondContact O-N 3.26Å; N341-V345 VanDerWaalsContact O-N 3.16Å | ||
| 342 | A | 96 | Very high | 94.1 | Very high | 27 Ų | 27 | 43.5 Ų | 43.5 | 22% | 0.223 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.7 | -31.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L324 V340 R346 | L324-A342 HydrophobicContact CD1-CB 3.9Å; L324-A342 HydrophobicContact CD2-CB 4.05Å; V340-A342 PolarHBondContact O-N 3.23Å; A342-R346 WeakPolarHBondContact O-CB 3.49Å; A342-R346 WeakPolarHBondContact O-CG 3.4Å; A342-R346 PolarHBondContact O-N 3.02Å |
| 343 | D | 93.6 | Very high | 94.1 | Very high | 56 Ų | 56 | 43.5 Ų | 43.5 | 30% | 0.299 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.2 | -48.7 | 178.3 | -71.9 | -5.9 | 0 | 0 | 0 | 111.1 | N341 V345 R346 C347 R395 | N341-D343 PolarHBondContact O-N 2.66Å; N341-D343 WeakPolarHBondContact OD1-CB 3.36Å; N341-D343 PolarHBondContact OD1-N 3.1Å; D343-V345 VanDerWaalsContact C-N 3.34Å; D343-V345 PolarHBondContact O-N 3.21Å; D343-R346 PolarHBondContact O-N 2.9Å; D343-C347 WeakPolarHBondContact O-CB 3.3Å; D343-C347 PolarHBondContact O-N 3.06Å; D343-C347 PolarHBondContact O-SG 3.23Å; D343-C347 VanDerWaalsContact O-SG 3.41Å; D343-R395 IonicContact OD2-CZ 3.28Å; D343-R395 IonicContact OD2-NE 3.51Å; D343-R395 IonicContact OD2-NH2 3.33Å; D343-R395 PolarHBondContact OD2-NH2 3.03Å |
| 344 | V | 95 | Very high | 94.3 | Very high | 9 Ų | 9 | 39 Ų | 39 | 6% | 0.055 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.1 | -45.8 | 178.2 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | I294 N341 R346 C347 L348 | I294-V344 HydrophobicContact CG1-CG1 4.2Å; N341-V344 HydrophobicContact CB-CB 4.26Å; N341-V344 HydrophobicContact CB-CG2 4.18Å; N341-V344 PolarHBondContact O-N 2.63Å; N341-V344 PolarHBondContact OD1-N 3.05Å; V344-R346 PolarHBondContact O-N 2.67Å; V344-C347 PolarHBondContact O-N 3.41Å; V344-L348 WeakPolarHBondContact O-CB 2.91Å; V344-L348 PolarHBondContact O-N 3.42Å |
| 345 | V | 97.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.3 | -44.4 | 179.9 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | A297 L323 L324 T327 V340 N341 D343 L348 S349 | A297-V345 HydrophobicContact CB-CG2 3.87Å; L323-V345 HydrophobicContact CB-CG1 4.15Å; L323-V345 HydrophobicContact CD2-CG1 3.95Å; L323-V345 HydrophobicContact CG-CG1 3.78Å; L324-V345 HydrophobicContact CB-CG1 4.26Å; L324-V345 HydrophobicContact CD1-CB 4.18Å; L324-V345 HydrophobicContact CD1-CG1 4.31Å; L324-V345 HydrophobicContact CD1-CG2 4.3Å; T327-V345 HydrophobicContact CG2-CG2 3.84Å; V340-V345 HydrophobicContact CG1-CG2 4.09Å; N341-V345 WeakPolarHBondContact O-CG2 3.4Å; N341-V345 PolarHBondContact O-N 3.26Å; N341-V345 VanDerWaalsContact O-N 3.16Å; D343-V345 VanDerWaalsContact C-N 3.34Å; D343-V345 PolarHBondContact O-N 3.21Å; V345-L348 PolarHBondContact O-N 3.07Å; V345-S349 WeakPolarHBondContact O-CB 3.31Å; V345-S349 PolarHBondContact O-N 3.25Å |
| 346 | R | 95.8 | Very high | 94.6 | Very high | 80 Ų | 80 | 34.2 Ų | 34.2 | 30% | 0.302 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.8 | -41.4 | 178.3 | -72.4 | 175.4 | 179.9 | 128.9 | 3.4 | 111.9 | A320 E321 A342 D343 V344 S349 R350 | A320-R346 HydrophobicContact CB-CB 4.44Å; A320-R346 HydrophobicContact CB-CG 4.17Å; E321-R346 IonicContact OE1-CZ 2.83Å; E321-R346 VanDerWaalsContact OE1-CZ 3.32Å; E321-R346 IonicContact OE1-NE 3.55Å; E321-R346 PolarHBondContact OE1-NE 2.96Å; E321-R346 IonicContact OE1-NH2 3.32Å; E321-R346 PolarHBondContact OE1-NH2 3.2Å; E321-R346 IonicContact OE2-NH2 3.86Å; A342-R346 WeakPolarHBondContact O-CB 3.49Å; A342-R346 WeakPolarHBondContact O-CG 3.4Å; A342-R346 PolarHBondContact O-N 3.02Å; D343-R346 PolarHBondContact O-N 2.9Å; V344-R346 PolarHBondContact O-N 2.67Å; R346-S349 PolarHBondContact O-N 3.35Å; R346-R350 WeakPolarHBondContact O-CB 3.36Å; R346-R350 VanDerWaalsContact O-CG 3.29Å; R346-R350 WeakPolarHBondContact O-CG 3.38Å; R346-R350 PolarHBondContact O-N 3.48Å |
| 347 | C | 95.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.5 | -48.4 | 173.1 | -78.9 | 0 | 0 | 0 | 0 | 111.4 | I160 D343 V344 S349 R350 T351 V394 Q398 | I160-C347 HydrophobicContact CD1-CB 3.7Å; D343-C347 WeakPolarHBondContact O-CB 3.3Å; D343-C347 PolarHBondContact O-N 3.06Å; D343-C347 PolarHBondContact O-SG 3.23Å; D343-C347 VanDerWaalsContact O-SG 3.41Å; V344-C347 PolarHBondContact O-N 3.41Å; C347-S349 PolarHBondContact O-N 3.28Å; C347-R350 PolarHBondContact O-N 3.13Å; C347-T351 WeakPolarHBondContact O-CB 3.37Å; C347-T351 WeakPolarHBondContact O-CG2 3.46Å; C347-T351 PolarHBondContact O-N 3.04Å; C347-T351 VanDerWaalsContact O-N 3.13Å; C347-T351 PolarHBondContact O-OG1 2.93Å; C347-V394 HydrophobicContact CB-CG1 4.39Å; C347-Q398 PolarHBondContact SG-NE2 3.08Å |
| 348 | L | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.3 | -51.4 | 176.7 | 176.7 | 58 | 0 | 0 | 0 | 110.7 | Y158 C161 A297 M298 L301 L323 V344 V345 R350 T351 A352 | Y158-L348 WeakPolarHBondContact O-CD1 3.42Å; C161-L348 HydrophobicContact CB-CD1 3.94Å; A297-L348 HydrophobicContact CB-CD2 3.92Å; M298-L348 HydrophobicContact CG-CD2 4.34Å; M298-L348 HydrophobicContact SD-CD1 4.08Å; M298-L348 HydrophobicContact SD-CD2 3.92Å; L301-L348 HydrophobicContact CB-CD2 4.47Å; L301-L348 HydrophobicContact CD2-CD1 4.04Å; L301-L348 HydrophobicContact CD2-CD2 4.31Å; L301-L348 HydrophobicContact CD2-CG 4.25Å; L323-L348 HydrophobicContact CD2-CG 4.43Å; V344-L348 WeakPolarHBondContact O-CB 2.91Å; V344-L348 PolarHBondContact O-N 3.42Å; V345-L348 PolarHBondContact O-N 3.07Å; L348-R350 VanDerWaalsContact C-N 3.35Å; L348-R350 PolarHBondContact O-N 3.29Å; L348-T351 CarbonylContact O-C 3.57Å; L348-T351 PolarHBondContact O-N 3.17Å; L348-A352 WeakPolarHBondContact O-CA 3.47Å; L348-A352 VanDerWaalsContact O-CB 3.3Å; L348-A352 WeakPolarHBondContact O-CB 3.22Å; L348-A352 PolarHBondContact O-N 3.48Å |
| 349 | S | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.7 | -47.6 | 179.1 | -173.6 | 0 | 0 | 0 | 0 | 112.3 | P312 A320 V345 R346 C347 T351 | P312-S349 VanDerWaalsContact CB-O 3.3Å; P312-S349 WeakPolarHBondContact CB-O 3.1Å; P312-S349 WeakPolarHBondContact CB-OG 3.36Å; A320-S349 VanDerWaalsContact CA-OG 3.22Å; A320-S349 WeakPolarHBondContact CA-OG 3.48Å; A320-S349 PolarHBondContact N-OG 2.9Å; V345-S349 WeakPolarHBondContact O-CB 3.31Å; V345-S349 PolarHBondContact O-N 3.25Å; R346-S349 PolarHBondContact O-N 3.35Å; C347-S349 PolarHBondContact O-N 3.28Å; S349-T351 PolarHBondContact O-N 3.45Å |
| 350 | R | 94.3 | Very high | 96.1 | Very high | 28 Ų | 28 | 20.1 Ų | 20.1 | 11% | 0.106 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.4 | -24.9 | -175.6 | -72.8 | 176 | 64.1 | 172.2 | 2.4 | 112.8 | G315 R346 C347 L348 Q398 | G315-R350 PolarHBondContact N-O 3.01Å; G315-R350 VanDerWaalsContact N-O 3.08Å; R346-R350 WeakPolarHBondContact O-CB 3.36Å; R346-R350 VanDerWaalsContact O-CG 3.29Å; R346-R350 WeakPolarHBondContact O-CG 3.38Å; R346-R350 PolarHBondContact O-N 3.48Å; C347-R350 PolarHBondContact O-N 3.13Å; L348-R350 VanDerWaalsContact C-N 3.35Å; L348-R350 PolarHBondContact O-N 3.29Å; R350-Q398 PolarHBondContact NH1-O 3.25Å |
| 351 | T | 95.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.012 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -113 | -2.8 | -173.7 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | G159 I160 C347 L348 S349 R353 G354 V394 | G159-T351 WeakPolarHBondContact CA-O 3.25Å; I160-T351 HydrophobicContact CG2-CG2 4.37Å; C347-T351 WeakPolarHBondContact O-CB 3.37Å; C347-T351 WeakPolarHBondContact O-CG2 3.46Å; C347-T351 PolarHBondContact O-N 3.04Å; C347-T351 VanDerWaalsContact O-N 3.13Å; C347-T351 PolarHBondContact O-OG1 2.93Å; L348-T351 CarbonylContact O-C 3.57Å; L348-T351 PolarHBondContact O-N 3.17Å; S349-T351 PolarHBondContact O-N 3.45Å; T351-R353 PolarHBondContact O-N 2.95Å; T351-G354 WeakPolarHBondContact O-CA 3.31Å; T351-G354 PolarHBondContact O-N 2.99Å; T351-V394 HydrophobicContact CG2-CG1 4.14Å; T351-V394 HydrophobicContact CG2-CG2 4.15Å |
| 352 | A | 96.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 16 Ų | 16 | 3% | 0.025 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -27.8 | -170 | 0 | 0 | 0 | 0 | 0 | 115.1 | L301 P312 L348 | L301-A352 HydrophobicContact CD1-CB 4.01Å; L301-A352 HydrophobicContact CD2-CB 4.23Å; P312-A352 HydrophobicContact CG-CB 4.46Å; L348-A352 WeakPolarHBondContact O-CA 3.47Å; L348-A352 VanDerWaalsContact O-CB 3.3Å; L348-A352 WeakPolarHBondContact O-CB 3.22Å; L348-A352 PolarHBondContact O-N 3.48Å |
| 353 | R | 95.3 | Very high | 96.4 | Very high | 87 Ų | 87 | 14.7 Ų | 14.7 | 33% | 0.328 | 7% | 0.067 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -15.4 | 176.3 | -69 | -178.9 | 179.2 | -133.6 | 0.4 | 114.2 | L311 P312 N313 I314 T351 | L311-R353 HydrophobicContact CB-CG 3.77Å; L311-R353 HydrophobicContact CD1-CG 4.2Å; L311-R353 PolarHBondContact O-NE 2.69Å; L311-R353 PolarHBondContact O-NH2 3Å; P312-R353 VanDerWaalsContact O-CD 3.27Å; P312-R353 WeakPolarHBondContact O-CD 3.35Å; P312-R353 WeakPolarHBondContact O-CG 3.01Å; P312-R353 PolarHBondContact O-NE 2.76Å; N313-R353 PolarHBondContact OD1-NH2 3.18Å; I314-R353 HydrophobicContact CD1-CB 4.44Å; I314-R353 HydrophobicContact CG1-CB 4Å; T351-R353 PolarHBondContact O-N 2.95Å |
| 354 | G | 95.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 12 Ų | 12 | 3% | 0.031 | 5% | 0.053 | C | C | . | . | trans | -78.5 | 172.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G159 T351 G414 | G159-G354 WeakPolarHBondContact CA-O 3.41Å; G159-G354 PolarHBondContact N-O 3.39Å; T351-G354 WeakPolarHBondContact O-CA 3.31Å; T351-G354 PolarHBondContact O-N 2.99Å; G354-G414 CarbonylContact C-O 3.58Å; G354-G414 WeakPolarHBondContact CA-O 3.26Å | ||
| 355 | T | 95.1 | Very high | 96.9 | Very high | 29 Ų | 29 | 11.6 Ų | 11.6 | 18% | 0.178 | 5% | 0.05 | C | C | . | . | B | Isolated β-bridge | trans | -141.4 | 131.2 | 178.2 | -59.3 | 0 | 0 | 0 | 0 | 108.5 | A40 C72 P357 G414 | A40-T355 HydrophobicContact CB-CG2 3.7Å; C72-T355 HydrophobicContact CB-CG2 3.7Å; T355-P357 WeakPolarHBondContact O-CD 3.21Å; T355-G414 PolarHBondContact N-O 3.4Å; T355-G414 CarbonylContact O-C 3.49Å |
| 356 | L | 96.1 | Very high | 96.9 | Very high | 4 Ų | 4 | 12.1 Ų | 12.1 | 2% | 0.021 | 5% | 0.053 | C | C | . | . | trans | -102.2 | 101.4 | 168.5 | -70.6 | -178 | 0 | 0 | 0 | 108.8 | I160 P358 L359 A360 L393 L415 C418 I419 L878 | I160-L356 HydrophobicContact CB-CD1 4.4Å; I160-L356 HydrophobicContact CG2-CD1 3.75Å; L356-P358 VanDerWaalsContact C-CD 3.46Å; L356-P358 VanDerWaalsContact C-N 3.29Å; L356-L359 HydrophobicContact CB-CB 3.84Å; L356-L359 WeakPolarHBondContact O-CB 3.19Å; L356-L359 PolarHBondContact O-N 3.44Å; L356-A360 PolarHBondContact O-N 3.41Å; L356-A360 VanDerWaalsContact O-N 3.08Å; L356-L393 HydrophobicContact CD1-CD1 4.43Å; L356-L415 HydrophobicContact CD2-CD1 3.77Å; L356-C418 HydrophobicContact CD2-CB 3.6Å; L356-C418 HydrophobicContact CG-CB 4.01Å; L356-I419 HydrophobicContact CD2-CG2 3.8Å; L356-L878 HydrophobicContact CD1-CD2 4.25Å | ||
| 357 | P | 96.4 | Very high | 97.1 | Very high | 3 Ų | 3 | 8.4 Ų | 8.4 | 2% | 0.019 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -54.4 | -38.7 | 177.9 | -21.7 | 30.8 | 0 | 0 | 0 | 113.8 | G71 C72 T355 L359 A360 A361 L450 | G71-P357 WeakPolarHBondContact O-CG 3.29Å; C72-P357 HydrophobicContact CB-CG 4.24Å; T355-P357 WeakPolarHBondContact O-CD 3.21Å; P357-L359 VanDerWaalsContact C-N 3.34Å; P357-L359 PolarHBondContact O-N 2.54Å; P357-A360 PolarHBondContact O-N 3.12Å; P357-A361 PolarHBondContact O-N 3.08Å; P357-L450 HydrophobicContact CB-CB 3.82Å; P357-L450 HydrophobicContact CB-CD1 3.78Å; P357-L450 HydrophobicContact CB-CG 4.43Å; P357-L450 HydrophobicContact CG-CB 4Å |
| 358 | P | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -57.8 | -39.5 | 172.2 | -31.8 | 40.7 | 0 | 0 | 0 | 114.8 | L356 A361 A362 L451 G874 L878 I881 | L356-P358 VanDerWaalsContact C-CD 3.46Å; L356-P358 VanDerWaalsContact C-N 3.29Å; P358-A361 PolarHBondContact O-N 3.2Å; P358-A362 WeakPolarHBondContact O-CB 3.4Å; P358-A362 PolarHBondContact O-N 3.02Å; P358-L451 HydrophobicContact CG-CD1 3.9Å; P358-L451 HydrophobicContact CG-CD2 3.86Å; P358-L451 HydrophobicContact CG-CG 4.09Å; P358-G874 WeakPolarHBondContact CB-O 3.29Å; P358-G874 CarbonylContact O-C 3.59Å; P358-G874 WeakPolarHBondContact O-CA 2.97Å; P358-L878 HydrophobicContact CB-CD2 3.76Å; P358-L878 HydrophobicContact CB-CG 3.75Å; P358-I881 HydrophobicContact CG-CD1 4.4Å |
| 359 | L | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 8.4 Ų | 8.4 | 1% | 0.005 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -68.3 | -41.9 | 177 | -178.4 | 60.5 | 0 | 0 | 0 | 110.6 | A162 L356 P357 A361 A362 V363 L388 T390 L878 | A162-L359 HydrophobicContact CB-CD1 4.23Å; A162-L359 HydrophobicContact CB-CD2 4.26Å; A162-L359 HydrophobicContact CB-CG 4.26Å; L356-L359 HydrophobicContact CB-CB 3.84Å; L356-L359 WeakPolarHBondContact O-CB 3.19Å; L356-L359 PolarHBondContact O-N 3.44Å; P357-L359 VanDerWaalsContact C-N 3.34Å; P357-L359 PolarHBondContact O-N 2.54Å; L359-A361 VanDerWaalsContact C-N 3.32Å; L359-A361 PolarHBondContact O-N 3.42Å; L359-A362 PolarHBondContact O-N 2.9Å; L359-V363 HydrophobicContact CD1-CG2 3.86Å; L359-V363 HydrophobicContact CG-CG2 4.32Å; L359-V363 WeakPolarHBondContact O-CB 3.4Å; L359-V363 VanDerWaalsContact O-CG2 3.26Å; L359-V363 WeakPolarHBondContact O-CG2 3.45Å; L359-V363 PolarHBondContact O-N 3.36Å; L359-L388 HydrophobicContact CD1-CD2 3.88Å; L359-L388 HydrophobicContact CD1-CG 4.28Å; L359-T390 HydrophobicContact CD1-CG2 4.31Å; L359-L878 HydrophobicContact CB-CD2 4.38Å; L359-L878 HydrophobicContact CD1-CD1 4.45Å |
| 360 | A | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 8.6 Ų | 8.6 | 1% | 0.008 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -61.2 | -39.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A40 L41 L356 P357 G364 | A40-A360 HydrophobicContact CB-CB 3.8Å; L41-A360 HydrophobicContact CB-CB 4.49Å; L356-A360 PolarHBondContact O-N 3.41Å; L356-A360 VanDerWaalsContact O-N 3.08Å; P357-A360 PolarHBondContact O-N 3.12Å; A360-G364 VanDerWaalsContact O-CA 3.28Å; A360-G364 WeakPolarHBondContact O-CA 3.31Å; A360-G364 PolarHBondContact O-N 2.93Å |
| 361 | A | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -64.9 | -45.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P357 P358 L359 G365 | P357-A361 PolarHBondContact O-N 3.08Å; P358-A361 PolarHBondContact O-N 3.2Å; L359-A361 VanDerWaalsContact C-N 3.32Å; L359-A361 PolarHBondContact O-N 3.42Å; A361-G365 PolarHBondContact O-N 2.76Å |
| 362 | A | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 7.2 Ų | 7.2 | 1% | 0.008 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -58.9 | -54.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | P358 L359 G365 I366 L875 | P358-A362 WeakPolarHBondContact O-CB 3.4Å; P358-A362 PolarHBondContact O-N 3.02Å; L359-A362 PolarHBondContact O-N 2.9Å; A362-G365 PolarHBondContact O-N 3.23Å; A362-I366 WeakPolarHBondContact O-CG1 3.19Å; A362-I366 PolarHBondContact O-N 3.06Å; A362-L875 HydrophobicContact CB-CD2 4.31Å; A362-L875 HydrophobicContact CB-CG 4.09Å |
| 363 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -72.2 | -37 | -177.1 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | L41 A162 I164 L359 G365 I366 A367 L388 | L41-V363 HydrophobicContact CD1-CB 4.25Å; L41-V363 HydrophobicContact CD1-CG1 4Å; A162-V363 HydrophobicContact CB-CB 4.4Å; A162-V363 HydrophobicContact CB-CG1 4.21Å; A162-V363 HydrophobicContact CB-CG2 3.52Å; I164-V363 HydrophobicContact CD1-CG1 3.93Å; I164-V363 HydrophobicContact CG1-CG1 3.84Å; L359-V363 HydrophobicContact CD1-CG2 3.86Å; L359-V363 HydrophobicContact CG-CG2 4.32Å; L359-V363 WeakPolarHBondContact O-CB 3.4Å; L359-V363 VanDerWaalsContact O-CG2 3.26Å; L359-V363 WeakPolarHBondContact O-CG2 3.45Å; L359-V363 PolarHBondContact O-N 3.36Å; V363-G365 VanDerWaalsContact C-N 3.32Å; V363-G365 PolarHBondContact O-N 3.4Å; V363-I366 PolarHBondContact O-N 3.41Å; V363-A367 WeakPolarHBondContact O-CB 3.48Å; V363-A367 PolarHBondContact O-N 2.97Å; V363-L388 HydrophobicContact CG2-CD2 4.48Å |
| 364 | G | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -60.8 | -40.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | A360 S368 | A360-G364 VanDerWaalsContact O-CA 3.28Å; A360-G364 WeakPolarHBondContact O-CA 3.31Å; A360-G364 PolarHBondContact O-N 2.93Å; G364-S368 WeakPolarHBondContact O-CB 3.42Å; G364-S368 PolarHBondContact O-N 3.44Å; G364-S368 PolarHBondContact O-OG 2.98Å |
| 365 | G | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 3.5 Ų | 3.5 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A361 A362 V363 Q369 T867 | A361-G365 PolarHBondContact O-N 2.76Å; A362-G365 PolarHBondContact O-N 3.23Å; V363-G365 VanDerWaalsContact C-N 3.32Å; V363-G365 PolarHBondContact O-N 3.4Å; G365-Q369 PolarHBondContact O-N 3.36Å; G365-Q369 VanDerWaalsContact O-N 3.14Å; G365-T867 WeakPolarHBondContact CA-O 3.35Å; G365-T867 WeakPolarHBondContact O-CB 3.4Å |
| 366 | I | 98.7 | Very high | 98.2 | Very high | 13 Ų | 13 | 2.6 Ų | 2.6 | 7% | 0.067 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -65.5 | -51.2 | 178.7 | -61.5 | 169.3 | 0 | 0 | 0 | 110.9 | I164 A362 V363 S368 Q369 E370 F386 A871 L899 | I164-I366 HydrophobicContact CD1-CB 3.93Å; I164-I366 HydrophobicContact CD1-CG2 3.57Å; A362-I366 WeakPolarHBondContact O-CG1 3.19Å; A362-I366 PolarHBondContact O-N 3.06Å; V363-I366 PolarHBondContact O-N 3.41Å; I366-S368 VanDerWaalsContact C-N 3.3Å; I366-S368 PolarHBondContact O-N 3.47Å; I366-Q369 WeakPolarHBondContact O-CB 3.13Å; I366-Q369 PolarHBondContact O-N 2.94Å; I366-E370 PolarHBondContact O-N 2.88Å; I366-E370 VanDerWaalsContact O-N 3.12Å; I366-F386 HydrophobicContact CD1-CE1 3.8Å; I366-F386 HydrophobicContact CD1-CZ 3.92Å; I366-A871 HydrophobicContact CG1-CB 4.28Å; I366-L899 HydrophobicContact CG1-CD2 3.97Å; I366-L899 HydrophobicContact CG2-CD2 4.49Å |
| 367 | A | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 2.7 Ų | 2.7 | 1% | 0.008 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -61 | -39.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I45 I164 V363 Q369 E370 V371 | I45-A367 HydrophobicContact CD1-CB 3.93Å; I45-A367 HydrophobicContact CG1-CB 4.2Å; I164-A367 HydrophobicContact CD1-CB 4.06Å; I164-A367 HydrophobicContact CG2-CB 4.49Å; V363-A367 WeakPolarHBondContact O-CB 3.48Å; V363-A367 PolarHBondContact O-N 2.97Å; A367-Q369 VanDerWaalsContact C-N 3.28Å; A367-Q369 PolarHBondContact O-N 3.3Å; A367-E370 WeakPolarHBondContact O-CB 3.49Å; A367-E370 PolarHBondContact O-N 3.15Å; A367-E370 VanDerWaalsContact O-N 3.16Å; A367-V371 WeakPolarHBondContact O-CG2 3.41Å; A367-V371 PolarHBondContact O-N 3.05Å |
| 368 | S | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -61.4 | -38.2 | 174.2 | -59.6 | 0 | 0 | 0 | 0 | 112 | I45 N48 G364 I366 E370 V371 L372 | I45-S368 WeakPolarHBondContact CA-OG 3.31Å; N48-S368 VanDerWaalsContact CB-OG 3.3Å; N48-S368 WeakPolarHBondContact CB-OG 3.49Å; N48-S368 PolarHBondContact ND2-OG 3.28Å; G364-S368 WeakPolarHBondContact O-CB 3.42Å; G364-S368 PolarHBondContact O-N 3.44Å; G364-S368 PolarHBondContact O-OG 2.98Å; I366-S368 VanDerWaalsContact C-N 3.3Å; I366-S368 PolarHBondContact O-N 3.47Å; S368-E370 VanDerWaalsContact C-N 3.34Å; S368-V371 WeakPolarHBondContact O-CB 3.24Å; S368-V371 PolarHBondContact O-N 2.95Å; S368-L372 WeakPolarHBondContact O-CG 3.22Å; S368-L372 PolarHBondContact O-N 2.85Å; S368-L372 VanDerWaalsContact O-N 3.15Å |
| 369 | Q | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -63.8 | -41.8 | 175.4 | -170.5 | 62.7 | 55.1 | 0 | 0 | 111.1 | G365 I366 A367 V371 L372 K373 T867 L899 | G365-Q369 PolarHBondContact O-N 3.36Å; G365-Q369 VanDerWaalsContact O-N 3.14Å; I366-Q369 WeakPolarHBondContact O-CB 3.13Å; I366-Q369 PolarHBondContact O-N 2.94Å; A367-Q369 VanDerWaalsContact C-N 3.28Å; A367-Q369 PolarHBondContact O-N 3.3Å; Q369-V371 VanDerWaalsContact C-N 3.27Å; Q369-V371 PolarHBondContact O-N 2.83Å; Q369-L372 WeakPolarHBondContact O-CB 3.35Å; Q369-L372 PolarHBondContact O-N 3.23Å; Q369-L372 VanDerWaalsContact O-N 3.08Å; Q369-K373 WeakPolarHBondContact O-CG 3.49Å; Q369-K373 PolarHBondContact O-N 3.16Å; Q369-T867 HydrophobicContact CB-CG2 4.28Å; Q369-T867 PolarHBondContact OE1-OG1 2.92Å; Q369-L899 HydrophobicContact CB-CB 4.24Å; Q369-L899 HydrophobicContact CB-CD1 4Å; Q369-L899 HydrophobicContact CG-CB 3.71Å; Q369-L899 HydrophobicContact CG-CD1 4.26Å |
| 370 | E | 98.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 4.3 Ų | 4.3 | 2% | 0.023 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -61 | -35 | 175.2 | -62.6 | -52.4 | 129 | 0 | 0 | 112.4 | I153 F168 I366 A367 S368 L372 K373 A374 L382 | I153-E370 HydrophobicContact CD1-CB 3.94Å; F168-E370 HydrophobicContact CZ-CB 4.49Å; I366-E370 PolarHBondContact O-N 2.88Å; I366-E370 VanDerWaalsContact O-N 3.12Å; A367-E370 WeakPolarHBondContact O-CB 3.49Å; A367-E370 PolarHBondContact O-N 3.15Å; A367-E370 VanDerWaalsContact O-N 3.16Å; S368-E370 VanDerWaalsContact C-N 3.34Å; E370-L372 PolarHBondContact O-N 2.73Å; E370-K373 WeakPolarHBondContact O-CB 3.33Å; E370-K373 PolarHBondContact O-N 3.34Å; E370-K373 VanDerWaalsContact OE1-CE 3.31Å; E370-K373 WeakPolarHBondContact OE1-CE 3.33Å; E370-K373 IonicContact OE1-NZ 3.82Å; E370-K373 PolarHBondContact OE1-NZ 2.82Å; E370-K373 IonicContact OE2-NZ 3.73Å; E370-A374 WeakPolarHBondContact O-CB 3.5Å; E370-A374 PolarHBondContact O-N 2.98Å; E370-L382 HydrophobicContact CG-CB 4.23Å; E370-L382 PolarHBondContact OE2-N 3.12Å |
| 371 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -60.9 | -45.3 | 172 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | V33 I49 I127 I153 A367 S368 Q369 K373 A374 I375 | V33-V371 HydrophobicContact CG1-CG1 4.36Å; V33-V371 HydrophobicContact CG2-CG1 4.23Å; I49-V371 HydrophobicContact CD1-CB 4.16Å; I49-V371 HydrophobicContact CD1-CG1 3.8Å; I49-V371 HydrophobicContact CD1-CG2 4Å; I49-V371 HydrophobicContact CG1-CB 4.29Å; I49-V371 HydrophobicContact CG1-CG1 4.03Å; I127-V371 HydrophobicContact CD1-CB 4.44Å; I127-V371 HydrophobicContact CD1-CG1 4.18Å; I127-V371 HydrophobicContact CD1-CG2 3.38Å; I127-V371 HydrophobicContact CG1-CG2 3.85Å; I153-V371 HydrophobicContact CD1-CB 4.31Å; I153-V371 HydrophobicContact CD1-CG2 3.57Å; A367-V371 WeakPolarHBondContact O-CG2 3.41Å; A367-V371 PolarHBondContact O-N 3.05Å; S368-V371 WeakPolarHBondContact O-CB 3.24Å; S368-V371 PolarHBondContact O-N 2.95Å; Q369-V371 VanDerWaalsContact C-N 3.27Å; Q369-V371 PolarHBondContact O-N 2.83Å; V371-K373 VanDerWaalsContact C-N 3.3Å; V371-K373 PolarHBondContact O-N 3.09Å; V371-A374 WeakPolarHBondContact O-CB 3.22Å; V371-A374 PolarHBondContact O-N 3.22Å; V371-I375 WeakPolarHBondContact O-CG1 3.04Å; V371-I375 PolarHBondContact O-N 3.28Å |
| 372 | L | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 4.7 Ų | 4.7 | 1% | 0.005 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -62.8 | -38.8 | 177.4 | -58.1 | -172.3 | 0 | 0 | 0 | 111.3 | M28 A52 S368 Q369 E370 I375 T376 I865 T867 | M28-L372 HydrophobicContact CE-CD2 3.85Å; M28-L372 HydrophobicContact SD-CD2 4.17Å; A52-L372 HydrophobicContact CB-CD1 3.96Å; A52-L372 HydrophobicContact CB-CD2 3.73Å; A52-L372 HydrophobicContact CB-CG 4.47Å; S368-L372 WeakPolarHBondContact O-CG 3.22Å; S368-L372 PolarHBondContact O-N 2.85Å; S368-L372 VanDerWaalsContact O-N 3.15Å; Q369-L372 WeakPolarHBondContact O-CB 3.35Å; Q369-L372 PolarHBondContact O-N 3.23Å; Q369-L372 VanDerWaalsContact O-N 3.08Å; E370-L372 PolarHBondContact O-N 2.73Å; L372-I375 HydrophobicContact CD2-CD1 4.41Å; L372-T376 WeakPolarHBondContact O-CB 3.31Å; L372-T376 VanDerWaalsContact O-CG2 3.27Å; L372-T376 WeakPolarHBondContact O-CG2 3.42Å; L372-T376 PolarHBondContact O-N 2.85Å; L372-T376 PolarHBondContact O-OG1 3.31Å; L372-I865 HydrophobicContact CD1-CD1 3.67Å; L372-T867 HydrophobicContact CD1-CG2 4.2Å |
| 373 | K | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 7 Ų | 7 | 0% | 0.004 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -62 | -49.4 | 173.8 | -58.7 | -176.3 | -168.1 | 171.7 | 0 | 110.7 | F172 Q369 E370 V371 I375 T376 G377 K378 F379 A380 P381 L899 | F172-K373 WeakPolarHBondContact CZ-O 3.33Å; Q369-K373 WeakPolarHBondContact O-CG 3.49Å; Q369-K373 PolarHBondContact O-N 3.16Å; E370-K373 WeakPolarHBondContact O-CB 3.33Å; E370-K373 PolarHBondContact O-N 3.34Å; E370-K373 VanDerWaalsContact OE1-CE 3.31Å; E370-K373 WeakPolarHBondContact OE1-CE 3.33Å; E370-K373 IonicContact OE1-NZ 3.82Å; E370-K373 PolarHBondContact OE1-NZ 2.82Å; E370-K373 IonicContact OE2-NZ 3.73Å; V371-K373 VanDerWaalsContact C-N 3.3Å; V371-K373 PolarHBondContact O-N 3.09Å; K373-I375 PolarHBondContact O-N 3.34Å; K373-T376 PolarHBondContact O-N 3.23Å; K373-T376 VanDerWaalsContact O-N 3.09Å; K373-G377 PolarHBondContact O-N 2.87Å; K373-K378 WeakPolarHBondContact CG-O 3.42Å; K373-F379 HydrophobicContact CD-CB 4.01Å; K373-F379 HydrophobicContact CG-CB 4.04Å; K373-A380 WeakPolarHBondContact CD-O 3.26Å; K373-A380 WeakPolarHBondContact CE-O 3.35Å; K373-A380 PolarHBondContact NZ-O 2.92Å; K373-P381 HydrophobicContact CD-CB 4.47Å; K373-L899 WeakPolarHBondContact CE-O 3.29Å; K373-L899 PolarHBondContact NZ-O 3.45Å |
| 374 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -54.8 | -37.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R151 F168 E370 V371 | R151-A374 HydrophobicContact CB-CB 3.82Å; R151-A374 HydrophobicContact CG-CB 4.03Å; R151-A374 PolarHBondContact NE-O 3.48Å; F168-A374 HydrophobicContact CD1-CB 3.98Å; F168-A374 HydrophobicContact CD2-CB 4.44Å; F168-A374 HydrophobicContact CE1-CB 3.58Å; F168-A374 HydrophobicContact CE2-CB 4.04Å; F168-A374 HydrophobicContact CG-CB 4.43Å; F168-A374 HydrophobicContact CZ-CB 3.62Å; E370-A374 WeakPolarHBondContact O-CB 3.5Å; E370-A374 PolarHBondContact O-N 2.98Å; V371-A374 WeakPolarHBondContact O-CB 3.22Å; V371-A374 PolarHBondContact O-N 3.22Å |
| 375 | I | 97.9 | Very high | 97.4 | Very high | 14 Ų | 14 | 7.3 Ų | 7.3 | 7% | 0.072 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -93.7 | -8.2 | -177.4 | 68.9 | -172.7 | 0 | 0 | 0 | 114 | M28 V54 Q124 C125 V371 L372 K373 | M28-I375 HydrophobicContact CB-CD1 4.44Å; M28-I375 HydrophobicContact CG-CD1 3.89Å; M28-I375 HydrophobicContact CG-CG1 4.07Å; V54-I375 HydrophobicContact CG1-CD1 3.57Å; Q124-I375 HydrophobicContact CB-CG2 4.25Å; C125-I375 HydrophobicContact CB-CG2 3.82Å; V371-I375 WeakPolarHBondContact O-CG1 3.04Å; V371-I375 PolarHBondContact O-N 3.28Å; L372-I375 HydrophobicContact CD2-CD1 4.41Å; K373-I375 PolarHBondContact O-N 3.34Å |
| 376 | T | 97.6 | Very high | 97.4 | Very high | 9 Ų | 9 | 7.4 Ų | 7.4 | 6% | 0.055 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -120.2 | -25.4 | -177.2 | 61.3 | 0 | 0 | 0 | 0 | 114.9 | A24 Q27 M28 L372 K373 K378 | A24-T376 HydrophobicContact CB-CG2 3.89Å; A24-T376 WeakPolarHBondContact O-CG2 3.16Å; Q27-T376 HydrophobicContact CB-CG2 4.35Å; Q27-T376 PolarHBondContact OE1-O 2.89Å; M28-T376 HydrophobicContact CG-CG2 3.41Å; M28-T376 VanDerWaalsContact CG-CG2 3.41Å; M28-T376 HydrophobicContact SD-CG2 3.99Å; L372-T376 WeakPolarHBondContact O-CB 3.31Å; L372-T376 VanDerWaalsContact O-CG2 3.27Å; L372-T376 WeakPolarHBondContact O-CG2 3.42Å; L372-T376 PolarHBondContact O-N 2.85Å; L372-T376 PolarHBondContact O-OG1 3.31Å; K373-T376 PolarHBondContact O-N 3.23Å; K373-T376 VanDerWaalsContact O-N 3.09Å; T376-K378 PolarHBondContact O-N 3.44Å; T376-K378 VanDerWaalsContact OG1-CB 3.26Å; T376-K378 WeakPolarHBondContact OG1-CB 3.28Å; T376-K378 PolarHBondContact OG1-N 2.64Å; T376-K378 VanDerWaalsContact OG1-N 3.09Å |
| 377 | G | 96 | Very high | 97.4 | Very high | 7 Ų | 7 | 6.9 Ų | 6.9 | 7% | 0.072 | 4% | 0.036 | C | C | . | . | trans | 62.6 | 20.2 | -166.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V174 S175 K373 | V174-G377 CarbonylContact C-O 3.17Å; V174-G377 WeakPolarHBondContact CA-O 3.47Å; V174-G377 WeakPolarHBondContact CG1-O 3.01Å; S175-G377 PolarHBondContact N-O 2.96Å; K373-G377 PolarHBondContact O-N 2.87Å | ||
| 378 | K | 95.8 | Very high | 97.3 | Very high | 29 Ų | 29 | 7.4 Ų | 7.4 | 13% | 0.126 | 4% | 0.039 | C | C | . | . | B | Isolated β-bridge | trans | -91.1 | 136.9 | 168.3 | -173.8 | 88.5 | -180 | -179.5 | 0 | 107.8 | L20 A24 D176 K373 T376 | L20-K378 WeakPolarHBondContact O-CD 3.26Å; L20-K378 WeakPolarHBondContact O-CE 3.27Å; L20-K378 PolarHBondContact O-NZ 2.84Å; A24-K378 HydrophobicContact CB-CB 4.08Å; A24-K378 HydrophobicContact CB-CD 4.28Å; A24-K378 HydrophobicContact CB-CG 4.33Å; D176-K378 HydrophobicContact CB-CD 4.2Å; D176-K378 IonicContact OD2-NZ 3.89Å; D176-K378 PolarHBondContact OD2-NZ 3.24Å; K373-K378 WeakPolarHBondContact CG-O 3.42Å; T376-K378 PolarHBondContact O-N 3.44Å; T376-K378 VanDerWaalsContact OG1-CB 3.26Å; T376-K378 WeakPolarHBondContact OG1-CB 3.28Å; T376-K378 PolarHBondContact OG1-N 2.64Å; T376-K378 VanDerWaalsContact OG1-N 3.09Å |
| 379 | F | 97.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 8.5 Ų | 8.5 | 1% | 0.013 | 4% | 0.044 | C | C | . | . | S | Bend | trans | 71.4 | 153.6 | 179.2 | -51.8 | -40.6 | 0 | 0 | 0 | 115.3 | V19 L20 V174 D176 K373 P381 T565 A900 | V19-F379 HydrophobicContact CG1-CE2 4.34Å; V19-F379 HydrophobicContact CG1-CZ 4Å; V19-F379 WeakPolarHBondContact O-CZ 3.27Å; L20-F379 HydrophobicContact CD2-CE2 3.61Å; L20-F379 HydrophobicContact CD2-CZ 4.13Å; V174-F379 VanDerWaalsContact CG1-O 3.31Å; V174-F379 WeakPolarHBondContact CG1-O 3.31Å; D176-F379 WeakPolarHBondContact O-CA 3.44Å; D176-F379 PolarHBondContact O-N 3.3Å; K373-F379 HydrophobicContact CD-CB 4.01Å; K373-F379 HydrophobicContact CG-CB 4.04Å; F379-P381 WeakPolarHBondContact O-CD 3.43Å; F379-T565 HydrophobicContact CD2-CG2 4.23Å; F379-T565 HydrophobicContact CE2-CG2 3.62Å; F379-T565 HydrophobicContact CZ-CG2 3.86Å; F379-A900 HydrophobicContact CB-CB 4.23Å; F379-A900 VanDerWaalsContact CB-O 3.26Å; F379-A900 WeakPolarHBondContact CB-O 3.4Å; F379-A900 HydrophobicContact CD1-CB 3.43Å; F379-A900 VanDerWaalsContact CD1-CB 3.43Å; F379-A900 HydrophobicContact CD2-CB 4.33Å; F379-A900 HydrophobicContact CE1-CB 3.79Å; F379-A900 HydrophobicContact CG-CB 3.74Å; F379-A900 HydrophobicContact CZ-CB 4.35Å |
| 380 | A | 97.5 | Very high | 96.9 | Very high | 6 Ų | 6 | 8.8 Ų | 8.8 | 5% | 0.05 | 5% | 0.046 | C | C | . | . | P | Polyproline II helix | trans | -72 | 122.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | P177 Y266 K373 A900 | P177-A380 HydrophobicContact CB-CB 4.11Å; P177-A380 WeakPolarHBondContact O-CB 3.41Å; P177-A380 PolarHBondContact O-N 3Å; Y266-A380 WeakPolarHBondContact OH-CB 3.46Å; K373-A380 WeakPolarHBondContact CD-O 3.26Å; K373-A380 WeakPolarHBondContact CE-O 3.35Å; K373-A380 PolarHBondContact NZ-O 2.92Å; A380-A900 PolarHBondContact N-O 3.34Å |
| 381 | P | 97.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 8.9 Ų | 8.9 | 1% | 0.013 | 5% | 0.047 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 157.3 | -178.5 | 33.2 | -38.5 | 0 | 0 | 0 | 112 | F168 F172 Y266 F268 K373 F379 Q383 | F168-P381 HydrophobicContact CD2-CB 3.83Å; F168-P381 HydrophobicContact CD2-CG 4.42Å; F168-P381 HydrophobicContact CE2-CB 3.48Å; F168-P381 VanDerWaalsContact CE2-CB 3.48Å; F172-P381 HydrophobicContact CD1-CG 4.23Å; F172-P381 HydrophobicContact CE1-CG 4.27Å; Y266-P381 HydrophobicContact CD1-CG 4.12Å; Y266-P381 HydrophobicContact CD2-CG 4.25Å; Y266-P381 HydrophobicContact CG-CG 3.96Å; F268-P381 HydrophobicContact CE2-CG 4.16Å; F268-P381 HydrophobicContact CZ-CB 3.83Å; F268-P381 HydrophobicContact CZ-CG 3.58Å; K373-P381 HydrophobicContact CD-CB 4.47Å; F379-P381 WeakPolarHBondContact O-CD 3.43Å; P381-Q383 PolarHBondContact O-N 2.92Å |
| 382 | L | 97.7 | Very high | 96.4 | Very high | 6 Ų | 6 | 10.1 Ų | 10.1 | 3% | 0.031 | 5% | 0.053 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 122.5 | 167.6 | 174.3 | 66.1 | 0 | 0 | 0 | 109.9 | I164 F268 L281 E370 F386 P902 | I164-L382 HydrophobicContact CB-CD2 4.2Å; I164-L382 HydrophobicContact CG2-CD2 4.12Å; F268-L382 WeakPolarHBondContact CE1-O 3.37Å; L281-L382 HydrophobicContact CB-CD1 3.95Å; L281-L382 HydrophobicContact CD2-CD1 4.2Å; E370-L382 HydrophobicContact CG-CB 4.23Å; E370-L382 PolarHBondContact OE2-N 3.12Å; L382-F386 HydrophobicContact CD1-CB 4.04Å; L382-F386 HydrophobicContact CD2-CB 3.55Å; L382-F386 HydrophobicContact CG-CB 4.45Å; L382-P902 HydrophobicContact CD1-CB 4.48Å |
| 383 | Q | 94.8 | Very high | 96.1 | Very high | 50 Ų | 50 | 10.1 Ų | 10.1 | 23% | 0.234 | 5% | 0.053 | C | C | . | . | trans | -116.7 | 97.6 | 174 | -68 | -162.3 | -61.6 | 0 | 0 | 110.4 | Y266 S267 F268 Q279 P381 | Y266-Q383 HydrophobicContact CD1-CG 4.2Å; S267-Q383 PolarHBondContact O-NE2 3.05Å; F268-Q383 HydrophobicContact CE1-CG 3.95Å; F268-Q383 HydrophobicContact CZ-CG 3.95Å; Q279-Q383 VanDerWaalsContact CG-O 3.29Å; Q279-Q383 WeakPolarHBondContact CG-O 3.48Å; Q279-Q383 PolarHBondContact NE2-O 2.8Å; P381-Q383 PolarHBondContact O-N 2.92Å | ||
| 384 | Q | 88.5 | Confident | 95.6 | Very high | 5 Ų | 5 | 10.2 Ų | 10.2 | 2% | 0.023 | 5% | 0.053 | C | C | . | . | S | Bend | cis | -131.4 | -25.2 | -3 | -56.2 | 178.1 | 27.6 | 0 | 0 | 110.5 | F165 C166 F268 E269 Q274 Q279 | F165-Q384 CarbonylContact C-O 3.28Å; F165-Q384 WeakPolarHBondContact CA-O 3.43Å; F165-Q384 HydrophobicContact CD2-CB 4.3Å; F165-Q384 HydrophobicContact CE2-CB 3.98Å; C166-Q384 PolarHBondContact N-O 2.82Å; F268-Q384 HydrophobicContact CD1-CG 4Å; F268-Q384 HydrophobicContact CE1-CG 4.47Å; E269-Q384 PolarHBondContact O-OE1 2.86Å; Q274-Q384 VanDerWaalsContact CD-OE1 3.29Å; Q279-Q384 PolarHBondContact O-N 2.84Å; Q279-Q384 VanDerWaalsContact O-N 3.08Å |
| 385 | W | 98.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.008 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 141 | 176 | -69.8 | 99.3 | 0 | 0 | 0 | 113.1 | R163 I164 F165 L271 Q274 L275 Q279 V280 L281 Y387 | R163-W385 HydrophobicContact CB-CE3 4.48Å; R163-W385 HydrophobicContact CB-CZ3 4.28Å; R163-W385 HydrophobicContact CG-CZ3 4.3Å; I164-W385 CarbonylContact O-C 3.44Å; I164-W385 VanDerWaalsContact O-CA 3.25Å; I164-W385 WeakPolarHBondContact O-CA 3.49Å; F165-W385 HydrophobicContact CB-CD2 4.06Å; F165-W385 HydrophobicContact CB-CE3 3.69Å; F165-W385 HydrophobicContact CB-CH2 3.79Å; F165-W385 HydrophobicContact CB-CZ2 4.16Å; F165-W385 HydrophobicContact CB-CZ3 3.55Å; F165-W385 AromaticContact CD2-CD2 3.69Å; F165-W385 HydrophobicContact CD2-CD2 3.69Å; F165-W385 AromaticContact CD2-CE2 3.37Å; F165-W385 HydrophobicContact CD2-CE3 4.22Å; F165-W385 HydrophobicContact CD2-CG 4.11Å; F165-W385 HydrophobicContact CD2-CH2 4.21Å; F165-W385 AromaticContact CD2-CZ2 3.68Å; F165-W385 HydrophobicContact CD2-CZ2 3.68Å; F165-W385 HydrophobicContact CD2-CZ3 4.46Å; F165-W385 AromaticContact CD2-NE1 3.61Å; F165-W385 HydrophobicContact CE2-CZ2 4.37Å; F165-W385 AromaticContact CE2-NE1 3.91Å; F165-W385 HydrophobicContact CG-CD2 4.31Å; F165-W385 HydrophobicContact CG-CE3 4.39Å; F165-W385 HydrophobicContact CG-CH2 4.12Å; F165-W385 HydrophobicContact CG-CZ2 4.03Å; F165-W385 HydrophobicContact CG-CZ3 4.31Å; L271-W385 HydrophobicContact CD1-CH2 3.62Å; L271-W385 HydrophobicContact CD1-CZ2 3.36Å; Q274-W385 PolarHBondContact O-NE1 3.4Å; L275-W385 HydrophobicContact CD2-CH2 4.32Å; L275-W385 HydrophobicContact CD2-CZ2 3.98Å; Q279-W385 PolarHBondContact O-N 3.3Å; V280-W385 HydrophobicContact CG1-CB 4.11Å; L281-W385 PolarHBondContact N-O 3.41Å; W385-Y387 HydrophobicContact CB-CD2 4.22Å; W385-Y387 HydrophobicContact CB-CE2 3.67Å; W385-Y387 HydrophobicContact CD2-CE2 4.05Å; W385-Y387 HydrophobicContact CE3-CE1 4.42Å; W385-Y387 AromaticContact CE3-CE2 3.96Å; W385-Y387 HydrophobicContact CE3-CE2 3.96Å; W385-Y387 AromaticContact CE3-CZ 3.6Å; W385-Y387 AromaticContact CG-CE2 3.99Å; W385-Y387 HydrophobicContact CG-CE2 3.99Å; W385-Y387 VanDerWaalsContact CZ3-OH 3.29Å; W385-Y387 WeakPolarHBondContact CZ3-OH 3.39Å |
| 386 | F | 98.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.009 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 130.2 | 164.8 | 172.2 | -104.5 | 0 | 0 | 0 | 108.7 | R163 I164 L281 P283 I366 L382 L388 V904 | R163-F386 CarbonylContact C-O 3.5Å; R163-F386 VanDerWaalsContact CA-O 3.29Å; R163-F386 WeakPolarHBondContact CA-O 3.33Å; I164-F386 HydrophobicContact CB-CB 4.23Å; I164-F386 HydrophobicContact CD1-CD1 3.73Å; I164-F386 HydrophobicContact CD1-CE1 4.43Å; I164-F386 HydrophobicContact CG1-CD1 4.03Å; I164-F386 PolarHBondContact N-O 3.32Å; I164-F386 PolarHBondContact O-N 2.77Å; L281-F386 HydrophobicContact CB-CD2 4.35Å; L281-F386 HydrophobicContact CD2-CD2 3.88Å; L281-F386 HydrophobicContact CD2-CE2 4.35Å; L281-F386 HydrophobicContact CG-CD2 4.41Å; P283-F386 HydrophobicContact CB-CE2 4.18Å; P283-F386 HydrophobicContact CG-CD2 4.16Å; P283-F386 HydrophobicContact CG-CE2 3.63Å; P283-F386 HydrophobicContact CG-CZ 4.45Å; I366-F386 HydrophobicContact CD1-CE1 3.8Å; I366-F386 HydrophobicContact CD1-CZ 3.92Å; L382-F386 HydrophobicContact CD1-CB 4.04Å; L382-F386 HydrophobicContact CD2-CB 3.55Å; L382-F386 HydrophobicContact CG-CB 4.45Å; F386-L388 HydrophobicContact CE1-CB 3.92Å; F386-L388 HydrophobicContact CZ-CB 4.02Å; F386-L388 HydrophobicContact CZ-CD2 4.43Å; F386-V904 HydrophobicContact CE2-CB 4.2Å; F386-V904 HydrophobicContact CE2-CG1 4.48Å; F386-V904 HydrophobicContact CE2-CG2 4.08Å; F386-V904 HydrophobicContact CZ-CG2 4.39Å |
| 387 | Y | 98.3 | Very high | 94 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.008 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 140.2 | 175.1 | -70.5 | -81.5 | 0 | 0 | 0 | 109.2 | A162 R163 V280 P283 P291 I294 H295 W385 | A162-Y387 WeakPolarHBondContact O-CA 3.32Å; R163-Y387 HydrophobicContact CB-CD1 3.67Å; R163-Y387 HydrophobicContact CB-CE1 3.36Å; R163-Y387 HydrophobicContact CG-CE1 4.46Å; V280-Y387 HydrophobicContact CG1-CD2 4.16Å; V280-Y387 HydrophobicContact CG1-CE2 4.13Å; P283-Y387 WeakPolarHBondContact CG-O 3.3Å; P291-Y387 HydrophobicContact CB-CD2 4.3Å; P291-Y387 WeakPolarHBondContact O-CD2 3.48Å; I294-Y387 HydrophobicContact CB-CD1 4.1Å; I294-Y387 HydrophobicContact CB-CG 4.27Å; I294-Y387 HydrophobicContact CG2-CD1 3.53Å; I294-Y387 HydrophobicContact CG2-CE1 4.3Å; I294-Y387 HydrophobicContact CG2-CG 4.13Å; H295-Y387 HydrophobicContact CB-CD2 4.47Å; H295-Y387 HydrophobicContact CB-CE1 4.35Å; H295-Y387 HydrophobicContact CB-CE2 3.75Å; H295-Y387 AromaticContact ND1-CE2 3.79Å; H295-Y387 AromaticContact ND1-CZ 3.51Å; H295-Y387 PolarHBondContact ND1-OH 3.35Å; W385-Y387 HydrophobicContact CB-CD2 4.22Å; W385-Y387 HydrophobicContact CB-CE2 3.67Å; W385-Y387 HydrophobicContact CD2-CE2 4.05Å; W385-Y387 HydrophobicContact CE3-CE1 4.42Å; W385-Y387 AromaticContact CE3-CE2 3.96Å; W385-Y387 HydrophobicContact CE3-CE2 3.96Å; W385-Y387 AromaticContact CE3-CZ 3.6Å; W385-Y387 AromaticContact CG-CE2 3.99Å; W385-Y387 HydrophobicContact CG-CE2 3.99Å; W385-Y387 VanDerWaalsContact CZ3-OH 3.29Å; W385-Y387 WeakPolarHBondContact CZ3-OH 3.39Å |
| 388 | L | 96.6 | Very high | 93.3 | Very high | 12 Ų | 12 | 21.5 Ų | 21.5 | 6% | 0.063 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 132.9 | 173.5 | -175.1 | 63.5 | 0 | 0 | 0 | 108.4 | C161 A162 L359 V363 F386 L875 L906 | C161-L388 CarbonylContact C-O 3.53Å; C161-L388 WeakPolarHBondContact CA-O 3.47Å; A162-L388 PolarHBondContact N-O 2.94Å; A162-L388 PolarHBondContact O-N 3.33Å; A162-L388 VanDerWaalsContact O-N 3.17Å; L359-L388 HydrophobicContact CD1-CD2 3.88Å; L359-L388 HydrophobicContact CD1-CG 4.28Å; V363-L388 HydrophobicContact CG2-CD2 4.48Å; F386-L388 HydrophobicContact CE1-CB 3.92Å; F386-L388 HydrophobicContact CZ-CB 4.02Å; F386-L388 HydrophobicContact CZ-CD2 4.43Å; L388-L875 HydrophobicContact CD2-CD2 4.42Å; L388-L906 HydrophobicContact CD1-CD1 3.95Å |
| 389 | D | 94.8 | Very high | 92.7 | Very high | 23 Ų | 23 | 25.3 Ų | 25.3 | 12% | 0.123 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 161.4 | 170.6 | 80.2 | 97.6 | 0 | 0 | 0 | 110.9 | I160 I294 T391 | I160-D389 CarbonylContact O-C 3.6Å; I160-D389 VanDerWaalsContact O-CA 3.27Å; I160-D389 WeakPolarHBondContact O-CA 3.46Å; I294-D389 HydrophobicContact CD1-CB 3.89Å; I294-D389 WeakPolarHBondContact CD1-OD2 3.24Å; I294-D389 HydrophobicContact CG1-CB 4.39Å; D389-T391 WeakPolarHBondContact OD1-CB 3.47Å; D389-T391 PolarHBondContact OD1-N 2.87Å; D389-T391 PolarHBondContact OD1-OG1 2.93Å |
| 390 | T | 94.6 | Very high | 92.4 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | trans | -125.5 | 46.1 | 174.2 | 67 | 0 | 0 | 0 | 0 | 110.3 | I160 L359 E392 L393 L878 | I160-T390 WeakPolarHBondContact CB-OG1 3.26Å; I160-T390 PolarHBondContact O-N 3.33Å; L359-T390 HydrophobicContact CD1-CG2 4.31Å; T390-E392 PolarHBondContact O-N 3.1Å; T390-L393 WeakPolarHBondContact O-CB 3.38Å; T390-L393 PolarHBondContact O-N 3.2Å; T390-L878 HydrophobicContact CG2-CD1 3.75Å; T390-L878 HydrophobicContact CG2-CD2 4.02Å; T390-L878 HydrophobicContact CG2-CG 4.45Å | ||
| 391 | T | 93.7 | Very high | 92.1 | Very high | 7 Ų | 7 | 30.5 Ų | 30.5 | 4% | 0.043 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.5 | -30.6 | -178.2 | -63.4 | 0 | 0 | 0 | 0 | 112.4 | D389 L393 V394 R395 | D389-T391 WeakPolarHBondContact OD1-CB 3.47Å; D389-T391 PolarHBondContact OD1-N 2.87Å; D389-T391 PolarHBondContact OD1-OG1 2.93Å; T391-L393 PolarHBondContact O-N 2.78Å; T391-L393 VanDerWaalsContact O-N 3.17Å; T391-V394 PolarHBondContact O-N 3.36Å; T391-V394 VanDerWaalsContact O-N 3.1Å; T391-R395 WeakPolarHBondContact O-CB 3.39Å; T391-R395 PolarHBondContact O-N 3.11Å |
| 392 | E | 92.6 | Very high | 91.7 | Very high | 26 Ų | 26 | 32.8 Ų | 32.8 | 12% | 0.121 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.4 | -27.8 | 174.5 | -61.4 | 80.7 | -177.4 | 0 | 0 | 112.6 | K287 T390 P396 F887 | K287-E392 IonicContact NZ-OE1 3.37Å; K287-E392 PolarHBondContact NZ-OE1 3.12Å; T390-E392 PolarHBondContact O-N 3.1Å; E392-P396 VanDerWaalsContact O-CD 3.27Å; E392-P396 WeakPolarHBondContact O-CD 3.24Å; E392-F887 WeakPolarHBondContact O-CD2 3.41Å; E392-F887 VanDerWaalsContact O-CE2 3.23Å; E392-F887 WeakPolarHBondContact O-CE2 3.44Å |
| 393 | L | 91.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -74.1 | -38.2 | 178.7 | -161.4 | 154.7 | 0 | 0 | 0 | 111.4 | L356 T390 T391 L397 I419 L878 I881 F887 | L356-L393 HydrophobicContact CD1-CD1 4.43Å; T390-L393 WeakPolarHBondContact O-CB 3.38Å; T390-L393 PolarHBondContact O-N 3.2Å; T391-L393 PolarHBondContact O-N 2.78Å; T391-L393 VanDerWaalsContact O-N 3.17Å; L393-L397 HydrophobicContact CD2-CD1 4.35Å; L393-L397 VanDerWaalsContact O-CD1 3.27Å; L393-L397 WeakPolarHBondContact O-CD1 3.33Å; L393-L397 WeakPolarHBondContact O-CG 3.41Å; L393-I419 HydrophobicContact CD2-CB 4.16Å; L393-I419 HydrophobicContact CD2-CG2 3.39Å; L393-L878 HydrophobicContact CD1-CD2 4.39Å; L393-I881 HydrophobicContact CD1-CB 4.07Å; L393-I881 HydrophobicContact CD1-CD1 4.01Å; L393-I881 HydrophobicContact CD1-CG2 3.9Å; L393-I881 HydrophobicContact CD2-CG2 4.22Å; L393-I881 HydrophobicContact CG-CG2 4.12Å; L393-F887 VanDerWaalsContact O-CE2 3.27Å; L393-F887 WeakPolarHBondContact O-CE2 3.31Å; L393-F887 WeakPolarHBondContact O-CZ 3.39Å |
| 394 | V | 88.8 | Confident | 91.5 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -94.6 | -31.8 | -171.4 | -178 | 0 | 0 | 0 | 0 | 112.5 | I160 C347 T351 T391 L397 Q398 | I160-V394 HydrophobicContact CB-CG2 4.35Å; I160-V394 HydrophobicContact CD1-CG2 4.35Å; I160-V394 HydrophobicContact CG2-CG2 3.35Å; C347-V394 HydrophobicContact CB-CG1 4.39Å; T351-V394 HydrophobicContact CG2-CG1 4.14Å; T351-V394 HydrophobicContact CG2-CG2 4.15Å; T391-V394 PolarHBondContact O-N 3.36Å; T391-V394 VanDerWaalsContact O-N 3.1Å; V394-L397 WeakPolarHBondContact O-CA 3.3Å; V394-L397 WeakPolarHBondContact O-CB 3.29Å; V394-L397 PolarHBondContact O-N 2.84Å; V394-Q398 HydrophobicContact CG1-CG 4.47Å; V394-Q398 PolarHBondContact O-N 2.75Å |
| 395 | R | 87.6 | Confident | 91.9 | Very high | 135 Ų | 135 | 37 Ų | 37 | 51% | 0.509 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -52.4 | -47.4 | -175.4 | 175.4 | -176.7 | -80 | 174.2 | -8.8 | 112.8 | D343 T391 L397 Q398 | D343-R395 IonicContact OD2-CZ 3.28Å; D343-R395 IonicContact OD2-NE 3.51Å; D343-R395 IonicContact OD2-NH2 3.33Å; D343-R395 PolarHBondContact OD2-NH2 3.03Å; T391-R395 WeakPolarHBondContact O-CB 3.39Å; T391-R395 PolarHBondContact O-N 3.11Å; R395-L397 PolarHBondContact O-N 3.11Å; R395-Q398 PolarHBondContact O-N 2.98Å |
| 396 | P | 87.3 | Confident | 91.6 | Very high | 59 Ų | 59 | 40.8 Ų | 40.8 | 38% | 0.383 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -65.5 | -25.9 | 178.5 | -23.7 | 38 | 0 | 0 | 0 | 113.5 | E392 S399 F887 | E392-P396 VanDerWaalsContact O-CD 3.27Å; E392-P396 WeakPolarHBondContact O-CD 3.24Å; P396-S399 PolarHBondContact O-OG 3.43Å; P396-F887 HydrophobicContact CB-CE2 4.18Å; P396-F887 HydrophobicContact CB-CZ 4.15Å; P396-F887 HydrophobicContact CG-CD2 3.83Å; P396-F887 HydrophobicContact CG-CE2 3.56Å; P396-F887 HydrophobicContact CG-CG 4.48Å; P396-F887 HydrophobicContact CG-CZ 4.04Å |
| 397 | L | 86.4 | Confident | 91.5 | Very high | 15 Ų | 15 | 44.3 Ų | 44.3 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -85.3 | -11 | -175.4 | -51.5 | 177.6 | 0 | 0 | 0 | 112.8 | L393 V394 R395 S399 L400 F405 I419 L423 F887 | L393-L397 HydrophobicContact CD2-CD1 4.35Å; L393-L397 VanDerWaalsContact O-CD1 3.27Å; L393-L397 WeakPolarHBondContact O-CD1 3.33Å; L393-L397 WeakPolarHBondContact O-CG 3.41Å; V394-L397 WeakPolarHBondContact O-CA 3.3Å; V394-L397 WeakPolarHBondContact O-CB 3.29Å; V394-L397 PolarHBondContact O-N 2.84Å; R395-L397 PolarHBondContact O-N 3.11Å; L397-S399 PolarHBondContact O-N 3.28Å; L397-S399 VanDerWaalsContact O-N 3.13Å; L397-L400 HydrophobicContact CB-CD1 4.2Å; L397-L400 HydrophobicContact CD2-CD1 4.02Å; L397-L400 VanDerWaalsContact O-CB 3.31Å; L397-L400 WeakPolarHBondContact O-CB 3.08Å; L397-L400 WeakPolarHBondContact O-CG 3.4Å; L397-L400 PolarHBondContact O-N 2.87Å; L397-F405 HydrophobicContact CB-CZ 4.24Å; L397-I419 HydrophobicContact CD1-CB 4.32Å; L397-I419 WeakPolarHBondContact CD1-O 3.38Å; L397-L423 HydrophobicContact CD1-CD2 4.4Å; L397-F887 HydrophobicContact CD2-CZ 4.15Å; L397-F887 HydrophobicContact CG-CZ 4.26Å |
| 398 | Q | 80.3 | Confident | 91.3 | Very high | 58 Ų | 58 | 51 Ų | 51 | 27% | 0.271 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -62.8 | -22.5 | -177.9 | -70.3 | -169.2 | -14.9 | 0 | 0 | 113.7 | C347 R350 V394 R395 L400 | C347-Q398 PolarHBondContact SG-NE2 3.08Å; R350-Q398 PolarHBondContact NH1-O 3.25Å; V394-Q398 HydrophobicContact CG1-CG 4.47Å; V394-Q398 PolarHBondContact O-N 2.75Å; R395-Q398 PolarHBondContact O-N 2.98Å; Q398-L400 VanDerWaalsContact C-N 3.31Å |
| 399 | S | 84.4 | Confident | 91.2 | Very high | 109 Ų | 109 | 53 Ų | 53 | 76% | 0.762 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -76.9 | -14.3 | 177.7 | 63.4 | 0 | 0 | 0 | 0 | 113.8 | P396 L397 | P396-S399 PolarHBondContact O-OG 3.43Å; L397-S399 PolarHBondContact O-N 3.28Å; L397-S399 VanDerWaalsContact O-N 3.13Å |
| 400 | L | 89.2 | Confident | 91.2 | Very high | 62 Ų | 62 | 54.4 Ų | 54.4 | 33% | 0.325 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -71.8 | 156.4 | 179 | -60.8 | -179.6 | 0 | 0 | 0 | 111.9 | L397 Q398 E404 F405 | L397-L400 HydrophobicContact CB-CD1 4.2Å; L397-L400 HydrophobicContact CD2-CD1 4.02Å; L397-L400 VanDerWaalsContact O-CB 3.31Å; L397-L400 WeakPolarHBondContact O-CB 3.08Å; L397-L400 WeakPolarHBondContact O-CG 3.4Å; L397-L400 PolarHBondContact O-N 2.87Å; Q398-L400 VanDerWaalsContact C-N 3.31Å; L400-E404 HydrophobicContact CB-CG 4.18Å; L400-F405 HydrophobicContact CB-CE2 4.14Å; L400-F405 HydrophobicContact CB-CZ 4.35Å; L400-F405 HydrophobicContact CD1-CZ 4.47Å |
| 401 | A | 91.3 | Very high | 91.3 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 46% | 0.463 | 30% | 0.3 | S | S | . | . | trans | -62.5 | 145.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | E403 E404 | A401-E403 VanDerWaalsContact CB-OE2 3.31Å; A401-E403 WeakPolarHBondContact CB-OE2 3.38Å; A401-E403 PolarHBondContact O-N 2.76Å; A401-E404 WeakPolarHBondContact O-CB 3.38Å; A401-E404 PolarHBondContact O-N 3Å; A401-E404 VanDerWaalsContact O-N 3.16Å | ||
| 402 | V | 89.9 | Confident | 91.5 | Very high | 50 Ų | 50 | 55.4 Ų | 55.4 | 30% | 0.303 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -64.6 | -26.4 | -174.4 | 69.6 | 0 | 0 | 0 | 0 | 112.2 | E404 F405 F406 | V402-E404 PolarHBondContact O-N 2.93Å; V402-F405 PolarHBondContact O-N 3.07Å; V402-F405 VanDerWaalsContact O-N 3.14Å; V402-F406 HydrophobicContact CB-CZ 4.46Å; V402-F406 HydrophobicContact CG1-CE1 4.45Å; V402-F406 HydrophobicContact CG1-CE2 4.41Å; V402-F406 HydrophobicContact CG1-CZ 3.81Å; V402-F406 HydrophobicContact CG2-CE1 3.86Å; V402-F406 HydrophobicContact CG2-CZ 4.06Å |
| 403 | E | 93.9 | Very high | 91.7 | Very high | 99 Ų | 99 | 55 Ų | 55 | 46% | 0.463 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -63.6 | -22.5 | 178.6 | -62 | 73 | -162.2 | 0 | 0 | 113.2 | A401 F405 F406 R408 | A401-E403 VanDerWaalsContact CB-OE2 3.31Å; A401-E403 WeakPolarHBondContact CB-OE2 3.38Å; A401-E403 PolarHBondContact O-N 2.76Å; E403-F405 PolarHBondContact O-N 2.91Å; E403-F406 HydrophobicContact CB-CD2 4.25Å; E403-F406 HydrophobicContact CB-CE2 4.34Å; E403-F406 HydrophobicContact CG-CD2 4.29Å; E403-F406 HydrophobicContact CG-CE2 3.96Å; E403-F406 PolarHBondContact O-N 2.84Å; E403-R408 PolarHBondContact O-NH2 3.2Å |
| 404 | E | 95.3 | Very high | 91.8 | Very high | 45 Ų | 45 | 55.3 Ų | 55.3 | 21% | 0.21 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -60.9 | -28.6 | 174.8 | -72.9 | -69.5 | 119.5 | 0 | 0 | 111.9 | L400 A401 V402 R416 G420 E421 S422 | L400-E404 HydrophobicContact CB-CG 4.18Å; A401-E404 WeakPolarHBondContact O-CB 3.38Å; A401-E404 PolarHBondContact O-N 3Å; A401-E404 VanDerWaalsContact O-N 3.16Å; V402-E404 PolarHBondContact O-N 2.93Å; E404-R416 WeakPolarHBondContact O-CG 3.43Å; E404-G420 CarbonylContact O-C 3.55Å; E404-G420 WeakPolarHBondContact O-CA 3.47Å; E404-E421 PolarHBondContact O-N 2.83Å; E404-S422 VanDerWaalsContact OE2-CB 3.3Å; E404-S422 WeakPolarHBondContact OE2-CB 3.35Å; E404-S422 PolarHBondContact OE2-N 3.33Å; E404-S422 PolarHBondContact OE2-OG 2.85Å |
| 405 | F | 95.4 | Very high | 92.2 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -99.5 | -4.8 | -171.9 | -55.5 | -87.3 | 0 | 0 | 0 | 112.8 | I314 L397 L400 V402 E403 R416 | I314-F405 HydrophobicContact CG2-CB 3.61Å; I314-F405 WeakPolarHBondContact CG2-O 3.4Å; L397-F405 HydrophobicContact CB-CZ 4.24Å; L400-F405 HydrophobicContact CB-CE2 4.14Å; L400-F405 HydrophobicContact CB-CZ 4.35Å; L400-F405 HydrophobicContact CD1-CZ 4.47Å; V402-F405 PolarHBondContact O-N 3.07Å; V402-F405 VanDerWaalsContact O-N 3.14Å; E403-F405 PolarHBondContact O-N 2.91Å; F405-R416 WeakPolarHBondContact CD1-O 3.47Å |
| 406 | F | 94.3 | Very high | 92.6 | Very high | 81 Ų | 81 | 49 Ų | 49 | 36% | 0.355 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -71.6 | 142 | -176.3 | -68.7 | -19.5 | 0 | 0 | 0 | 112.6 | V402 E403 R416 | V402-F406 HydrophobicContact CB-CZ 4.46Å; V402-F406 HydrophobicContact CG1-CE1 4.45Å; V402-F406 HydrophobicContact CG1-CE2 4.41Å; V402-F406 HydrophobicContact CG1-CZ 3.81Å; V402-F406 HydrophobicContact CG2-CE1 3.86Å; V402-F406 HydrophobicContact CG2-CZ 4.06Å; E403-F406 HydrophobicContact CB-CD2 4.25Å; E403-F406 HydrophobicContact CB-CE2 4.34Å; E403-F406 HydrophobicContact CG-CD2 4.29Å; E403-F406 HydrophobicContact CG-CE2 3.96Å; E403-F406 PolarHBondContact O-N 2.84Å; F406-R416 WeakPolarHBondContact O-CD 3.5Å |
| 407 | P | 94.6 | Very high | 93.1 | Very high | 76 Ų | 76 | 46.3 Ų | 46.3 | 49% | 0.494 | 26% | 0.26 | S | S | . | . | trans | -63.7 | 146.7 | 177.6 | 27.5 | -34.5 | 0 | 0 | 0 | 111.4 | D413 | P407-D413 VanDerWaalsContact CA-OD1 3.23Å; P407-D413 WeakPolarHBondContact CA-OD1 3.2Å; P407-D413 HydrophobicContact CB-CB 4.18Å; P407-D413 WeakPolarHBondContact CB-OD2 3.3Å | ||
| 408 | R | 95.2 | Very high | 93.5 | Very high | 142 Ų | 142 | 45.6 Ų | 45.6 | 54% | 0.536 | 26% | 0.256 | S | S | . | . | trans | -113.2 | -4.9 | 179.6 | -57 | -59.3 | -179 | -176.9 | -4.3 | 112.4 | E403 D413 | E403-R408 PolarHBondContact O-NH2 3.2Å; R408-D413 PolarHBondContact N-OD1 3.17Å; R408-D413 PolarHBondContact N-OD2 2.63Å | ||
| 409 | G | 94.3 | Very high | 94.3 | Very high | 55 Ų | 55 | 42.8 Ų | 42.8 | 57% | 0.567 | 24% | 0.244 | S | C | * | . | S | Bend | trans | 77.7 | 24.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D413 | G409-D413 VanDerWaalsContact CA-OD2 3.28Å; G409-D413 WeakPolarHBondContact CA-OD2 3.36Å; G409-D413 PolarHBondContact N-OD2 3.09Å |
| 410 | D | 95.3 | Very high | 94.8 | Very high | 52 Ų | 52 | 37.6 Ų | 37.6 | 28% | 0.278 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -112.5 | 176.8 | 175.6 | 69.9 | 32.3 | 0 | 0 | 0 | 111.1 | Y412 D413 R416 | D410-Y412 PolarHBondContact O-N 3.27Å; D410-Y412 WeakPolarHBondContact OD1-CA 3.37Å; D410-Y412 WeakPolarHBondContact OD1-CB 3.37Å; D410-Y412 PolarHBondContact OD1-N 3.09Å; D410-D413 PolarHBondContact N-OD2 3.27Å; D410-D413 PolarHBondContact O-N 3.26Å; D410-D413 PolarHBondContact OD1-N 3.21Å; D410-R416 IonicContact OD1-CZ 2.82Å; D410-R416 IonicContact OD1-NH1 2.83Å; D410-R416 PolarHBondContact OD1-NH1 3.25Å; D410-R416 IonicContact OD1-NH2 3.74Å; D410-R416 PolarHBondContact OD1-NH2 3.41Å; D410-R416 IonicContact OD2-CZ 3.07Å; D410-R416 IonicContact OD2-NH1 3.29Å; D410-R416 PolarHBondContact OD2-NH1 2.78Å; D410-R416 IonicContact OD2-NH2 3.37Å; D410-R416 PolarHBondContact OD2-NH2 3.21Å |
| 411 | R | 96.3 | Very high | 95.2 | Very high | 23 Ų | 23 | 36.5 Ų | 36.5 | 9% | 0.087 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -21.5 | -177.8 | 73.5 | -174 | -47.4 | 163.2 | 7 | 113.7 | L70 G71 D413 I501 N502 | L70-R411 HydrophobicContact CB-CB 3.62Å; L70-R411 HydrophobicContact CD1-CB 4.42Å; L70-R411 PolarHBondContact O-NE 3.19Å; L70-R411 PolarHBondContact O-NH2 3Å; G71-R411 WeakPolarHBondContact CA-O 3.31Å; G71-R411 PolarHBondContact N-O 2.63Å; R411-D413 VanDerWaalsContact C-N 3.34Å; R411-I501 PolarHBondContact NH1-O 2.91Å; R411-I501 PolarHBondContact NH2-O 2.78Å; R411-N502 VanDerWaalsContact NH1-CA 3.31Å; R411-N502 VanDerWaalsContact NH1-CB 3.25Å; R411-N502 PolarHBondContact NH1-OD1 2.91Å |
| 412 | Y | 97.1 | Very high | 95.4 | Very high | 10 Ų | 10 | 36.7 Ų | 36.7 | 4% | 0.039 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 3.9 | -173 | -50.7 | -67.8 | 0 | 0 | 0 | 112.9 | D410 G414 L415 R416 H428 L455 N502 | D410-Y412 PolarHBondContact O-N 3.27Å; D410-Y412 WeakPolarHBondContact OD1-CA 3.37Å; D410-Y412 WeakPolarHBondContact OD1-CB 3.37Å; D410-Y412 PolarHBondContact OD1-N 3.09Å; Y412-G414 VanDerWaalsContact C-N 3.31Å; Y412-G414 PolarHBondContact O-N 2.87Å; Y412-L415 PolarHBondContact O-N 3.27Å; Y412-L415 VanDerWaalsContact O-N 3.08Å; Y412-R416 VanDerWaalsContact O-CB 3.28Å; Y412-R416 WeakPolarHBondContact O-CB 3.32Å; Y412-R416 PolarHBondContact O-N 2.86Å; Y412-H428 AromaticContact CD2-CE1 3.8Å; Y412-H428 AromaticContact CD2-NE2 3.87Å; Y412-H428 AromaticContact CE1-NE2 3.96Å; Y412-H428 AromaticContact CE2-CE1 3.77Å; Y412-H428 AromaticContact CE2-NE2 3.78Å; Y412-H428 AromaticContact CG-NE2 4Å; Y412-H428 AromaticContact CZ-NE2 3.83Å; Y412-L455 HydrophobicContact CE2-CD1 4.27Å; Y412-L455 WeakPolarHBondContact OH-CD1 3.32Å; Y412-N502 PolarHBondContact OH-ND2 3.14Å |
| 413 | D | 96.4 | Very high | 95.7 | Very high | 18 Ų | 18 | 34.9 Ų | 34.9 | 10% | 0.096 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55 | -41.9 | -178.2 | -81 | -14.8 | 0 | 0 | 0 | 113.8 | W68 P407 R408 G409 D410 R411 R416 A417 | W68-D413 HydrophobicContact CB-CB 4.25Å; P407-D413 VanDerWaalsContact CA-OD1 3.23Å; P407-D413 WeakPolarHBondContact CA-OD1 3.2Å; P407-D413 HydrophobicContact CB-CB 4.18Å; P407-D413 WeakPolarHBondContact CB-OD2 3.3Å; R408-D413 PolarHBondContact N-OD1 3.17Å; R408-D413 PolarHBondContact N-OD2 2.63Å; G409-D413 VanDerWaalsContact CA-OD2 3.28Å; G409-D413 WeakPolarHBondContact CA-OD2 3.36Å; G409-D413 PolarHBondContact N-OD2 3.09Å; D410-D413 PolarHBondContact N-OD2 3.27Å; D410-D413 PolarHBondContact O-N 3.26Å; D410-D413 PolarHBondContact OD1-N 3.21Å; R411-D413 VanDerWaalsContact C-N 3.34Å; D413-R416 IonicContact OD1-CZ 3.75Å; D413-R416 IonicContact OD1-NH1 3.9Å; D413-R416 PolarHBondContact OD1-NH1 3.33Å; D413-A417 WeakPolarHBondContact O-CB 3.46Å; D413-A417 PolarHBondContact O-N 3.04Å |
| 414 | G | 95.4 | Very high | 95.9 | Very high | 6 Ų | 6 | 30.1 Ų | 30.1 | 6% | 0.062 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.6 | -43 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G354 T355 Y412 | G354-G414 CarbonylContact C-O 3.58Å; G354-G414 WeakPolarHBondContact CA-O 3.26Å; T355-G414 PolarHBondContact N-O 3.4Å; T355-G414 CarbonylContact O-C 3.49Å; Y412-G414 VanDerWaalsContact C-N 3.31Å; Y412-G414 PolarHBondContact O-N 2.87Å |
| 415 | L | 96.5 | Very high | 96 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.4 | -46.8 | 178.5 | -179.4 | 62.7 | 0 | 0 | 0 | 111.3 | L356 Y412 A417 C418 I419 L427 L451 | L356-L415 HydrophobicContact CD2-CD1 3.77Å; Y412-L415 PolarHBondContact O-N 3.27Å; Y412-L415 VanDerWaalsContact O-N 3.08Å; L415-A417 VanDerWaalsContact C-N 3.29Å; L415-A417 PolarHBondContact O-N 2.98Å; L415-C418 WeakPolarHBondContact O-CA 3.44Å; L415-C418 WeakPolarHBondContact O-CB 3.29Å; L415-C418 PolarHBondContact O-N 2.96Å; L415-I419 HydrophobicContact CD1-CD1 3.78Å; L415-I419 HydrophobicContact CD1-CG1 4.22Å; L415-I419 HydrophobicContact CD1-CG2 4.08Å; L415-I419 HydrophobicContact CD2-CD1 4.04Å; L415-I419 HydrophobicContact CG-CD1 3.68Å; L415-I419 HydrophobicContact CG-CG1 4.02Å; L415-I419 PolarHBondContact O-N 2.75Å; L415-L427 HydrophobicContact CD2-CD1 4.34Å; L415-L451 HydrophobicContact CD1-CD2 3.73Å; L415-L451 HydrophobicContact CD2-CD2 3.75Å; L415-L451 HydrophobicContact CG-CD2 4.41Å |
| 416 | R | 96.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.3 | -38.9 | 179.4 | -178.5 | -176.2 | -65.6 | 108.3 | 0.3 | 112.3 | E404 F405 F406 D410 Y412 D413 C418 I419 G420 E421 | E404-R416 WeakPolarHBondContact O-CG 3.43Å; F405-R416 WeakPolarHBondContact CD1-O 3.47Å; F406-R416 WeakPolarHBondContact O-CD 3.5Å; D410-R416 IonicContact OD1-CZ 2.82Å; D410-R416 IonicContact OD1-NH1 2.83Å; D410-R416 PolarHBondContact OD1-NH1 3.25Å; D410-R416 IonicContact OD1-NH2 3.74Å; D410-R416 PolarHBondContact OD1-NH2 3.41Å; D410-R416 IonicContact OD2-CZ 3.07Å; D410-R416 IonicContact OD2-NH1 3.29Å; D410-R416 PolarHBondContact OD2-NH1 2.78Å; D410-R416 IonicContact OD2-NH2 3.37Å; D410-R416 PolarHBondContact OD2-NH2 3.21Å; Y412-R416 VanDerWaalsContact O-CB 3.28Å; Y412-R416 WeakPolarHBondContact O-CB 3.32Å; Y412-R416 PolarHBondContact O-N 2.86Å; D413-R416 IonicContact OD1-CZ 3.75Å; D413-R416 IonicContact OD1-NH1 3.9Å; D413-R416 PolarHBondContact OD1-NH1 3.33Å; R416-C418 PolarHBondContact O-N 3.46Å; R416-C418 VanDerWaalsContact O-N 3.16Å; R416-I419 PolarHBondContact O-N 2.68Å; R416-G420 WeakPolarHBondContact O-CA 3.34Å; R416-G420 PolarHBondContact O-N 2.9Å; R416-E421 IonicContact CZ-OE2 3.38Å; R416-E421 VanDerWaalsContact CZ-OE2 3.23Å; R416-E421 IonicContact NE-OE2 3.66Å; R416-E421 PolarHBondContact NE-OE2 2.98Å; R416-E421 IonicContact NH2-OE2 2.96Å; R416-E421 PolarHBondContact NH2-OE2 3.2Å |
| 417 | A | 95.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.5 | -23 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I314 D413 L415 | I314-A417 HydrophobicContact CD1-CB 3.8Å; I314-A417 HydrophobicContact CG1-CB 4.11Å; I314-A417 HydrophobicContact CG2-CB 4.14Å; D413-A417 WeakPolarHBondContact O-CB 3.46Å; D413-A417 PolarHBondContact O-N 3.04Å; L415-A417 VanDerWaalsContact C-N 3.29Å; L415-A417 PolarHBondContact O-N 2.98Å |
| 418 | C | 95.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -93.8 | -41.9 | 175.9 | -63.2 | 0 | 0 | 0 | 0 | 112.9 | L356 L415 R416 | L356-C418 HydrophobicContact CD2-CB 3.6Å; L356-C418 HydrophobicContact CG-CB 4.01Å; L415-C418 WeakPolarHBondContact O-CA 3.44Å; L415-C418 WeakPolarHBondContact O-CB 3.29Å; L415-C418 PolarHBondContact O-N 2.96Å; R416-C418 PolarHBondContact O-N 3.46Å; R416-C418 VanDerWaalsContact O-N 3.16Å |
| 419 | I | 95.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -117.1 | -6.9 | -164.3 | 81.6 | 171.5 | 0 | 0 | 0 | 114.8 | L356 L393 L397 L415 R416 L423 L427 I881 | L356-I419 HydrophobicContact CD2-CG2 3.8Å; L393-I419 HydrophobicContact CD2-CB 4.16Å; L393-I419 HydrophobicContact CD2-CG2 3.39Å; L397-I419 HydrophobicContact CD1-CB 4.32Å; L397-I419 WeakPolarHBondContact CD1-O 3.38Å; L415-I419 HydrophobicContact CD1-CD1 3.78Å; L415-I419 HydrophobicContact CD1-CG1 4.22Å; L415-I419 HydrophobicContact CD1-CG2 4.08Å; L415-I419 HydrophobicContact CD2-CD1 4.04Å; L415-I419 HydrophobicContact CG-CD1 3.68Å; L415-I419 HydrophobicContact CG-CG1 4.02Å; L415-I419 PolarHBondContact O-N 2.75Å; R416-I419 PolarHBondContact O-N 2.68Å; I419-L423 HydrophobicContact CB-CD2 4.22Å; I419-L423 HydrophobicContact CD1-CB 4.22Å; I419-L423 HydrophobicContact CD1-CD2 4.37Å; I419-L423 HydrophobicContact CD1-CG 4.11Å; I419-L423 HydrophobicContact CG1-CB 4.26Å; I419-L423 WeakPolarHBondContact O-CB 3.33Å; I419-L427 HydrophobicContact CD1-CD1 3.73Å; I419-I881 HydrophobicContact CD1-CG2 4.41Å |
| 420 | G | 96.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | 76.1 | 157.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | E404 R416 L423 C424 | E404-G420 CarbonylContact O-C 3.55Å; E404-G420 WeakPolarHBondContact O-CA 3.47Å; R416-G420 WeakPolarHBondContact O-CA 3.34Å; R416-G420 PolarHBondContact O-N 2.9Å; G420-L423 PolarHBondContact O-N 3.2Å; G420-C424 PolarHBondContact O-N 3.35Å; G420-C424 PolarHBondContact O-SG 3.15Å |
| 421 | E | 96.8 | Very high | 97 | Very high | 39 Ų | 39 | 24.6 Ų | 24.6 | 18% | 0.182 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.9 | -44.1 | -178.2 | 175.7 | 63.8 | -177.6 | 0 | 0 | 112.4 | E404 R416 L423 C424 L425 | E404-E421 PolarHBondContact O-N 2.83Å; R416-E421 IonicContact CZ-OE2 3.38Å; R416-E421 VanDerWaalsContact CZ-OE2 3.23Å; R416-E421 IonicContact NE-OE2 3.66Å; R416-E421 PolarHBondContact NE-OE2 2.98Å; R416-E421 IonicContact NH2-OE2 2.96Å; R416-E421 PolarHBondContact NH2-OE2 3.2Å; E421-L423 VanDerWaalsContact C-N 3.28Å; E421-L423 PolarHBondContact O-N 3.12Å; E421-C424 WeakPolarHBondContact O-CB 3.37Å; E421-C424 PolarHBondContact O-N 3.24Å; E421-C424 VanDerWaalsContact O-N 3.16Å; E421-L425 HydrophobicContact CG-CD1 4.02Å; E421-L425 HydrophobicContact CG-CG 4.28Å; E421-L425 WeakPolarHBondContact O-CG 3.36Å; E421-L425 PolarHBondContact O-N 3.3Å |
| 422 | S | 96.4 | Very high | 97.1 | Very high | 59 Ų | 59 | 23.5 Ų | 23.5 | 41% | 0.413 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -55.4 | -43.2 | -178.5 | -64.5 | 0 | 0 | 0 | 0 | 112.3 | E404 L425 E426 | E404-S422 VanDerWaalsContact OE2-CB 3.3Å; E404-S422 WeakPolarHBondContact OE2-CB 3.35Å; E404-S422 PolarHBondContact OE2-N 3.33Å; E404-S422 PolarHBondContact OE2-OG 2.85Å; S422-L425 PolarHBondContact O-N 3.31Å; S422-E426 PolarHBondContact O-N 2.64Å; S422-E426 VanDerWaalsContact O-N 3.14Å |
| 423 | L | 96.8 | Very high | 97.2 | Very high | 12 Ų | 12 | 23 Ų | 23 | 6% | 0.063 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -75.5 | -34.4 | -179.6 | -167.8 | 53.8 | 0 | 0 | 0 | 112.2 | L397 I419 G420 E421 L425 E426 L427 I881 V884 | L397-L423 HydrophobicContact CD1-CD2 4.4Å; I419-L423 HydrophobicContact CB-CD2 4.22Å; I419-L423 HydrophobicContact CD1-CB 4.22Å; I419-L423 HydrophobicContact CD1-CD2 4.37Å; I419-L423 HydrophobicContact CD1-CG 4.11Å; I419-L423 HydrophobicContact CG1-CB 4.26Å; I419-L423 WeakPolarHBondContact O-CB 3.33Å; G420-L423 PolarHBondContact O-N 3.2Å; E421-L423 VanDerWaalsContact C-N 3.28Å; E421-L423 PolarHBondContact O-N 3.12Å; L423-L425 VanDerWaalsContact C-N 3.3Å; L423-L425 PolarHBondContact O-N 3.44Å; L423-E426 HydrophobicContact CD1-CB 4.42Å; L423-E426 PolarHBondContact O-N 3.41Å; L423-L427 WeakPolarHBondContact O-CG 3.41Å; L423-L427 PolarHBondContact O-N 3.42Å; L423-I881 HydrophobicContact CD2-CG2 3.58Å; L423-I881 HydrophobicContact CG-CG2 4.25Å; L423-V884 HydrophobicContact CD1-CG1 4.34Å |
| 424 | C | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -56.4 | -46.2 | 168.9 | -68.6 | 0 | 0 | 0 | 0 | 111.1 | G420 E421 E426 L427 H428 | G420-C424 PolarHBondContact O-N 3.35Å; G420-C424 PolarHBondContact O-SG 3.15Å; E421-C424 WeakPolarHBondContact O-CB 3.37Å; E421-C424 PolarHBondContact O-N 3.24Å; E421-C424 VanDerWaalsContact O-N 3.16Å; C424-E426 VanDerWaalsContact C-N 3.32Å; C424-E426 PolarHBondContact O-N 3.21Å; C424-L427 WeakPolarHBondContact O-CB 3.28Å; C424-L427 PolarHBondContact O-N 3.19Å; C424-H428 PolarHBondContact O-CD2 2.9Å; C424-H428 PolarHBondContact O-N 3.03Å |
| 425 | L | 97.6 | Very high | 97.4 | Very high | 62 Ų | 62 | 22.1 Ų | 22.1 | 33% | 0.325 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -64.4 | -34.4 | 179.2 | -67.8 | 176.2 | 0 | 0 | 0 | 113 | E421 S422 L423 H428 K429 | E421-L425 HydrophobicContact CG-CD1 4.02Å; E421-L425 HydrophobicContact CG-CG 4.28Å; E421-L425 WeakPolarHBondContact O-CG 3.36Å; E421-L425 PolarHBondContact O-N 3.3Å; S422-L425 PolarHBondContact O-N 3.31Å; L423-L425 VanDerWaalsContact C-N 3.3Å; L423-L425 PolarHBondContact O-N 3.44Å; L425-H428 PolarHBondContact O-N 3.03Å; L425-K429 WeakPolarHBondContact O-CG 3.36Å; L425-K429 PolarHBondContact O-N 2.87Å |
| 426 | E | 97.9 | Very high | 97.5 | Very high | 87 Ų | 87 | 22.3 Ų | 22.3 | 41% | 0.407 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -66.6 | -42.4 | 173.2 | -68.8 | -52.1 | 116.7 | 0 | 0 | 111.5 | S422 L423 C424 H428 K429 L430 V884 | S422-E426 PolarHBondContact O-N 2.64Å; S422-E426 VanDerWaalsContact O-N 3.14Å; L423-E426 HydrophobicContact CD1-CB 4.42Å; L423-E426 PolarHBondContact O-N 3.41Å; C424-E426 VanDerWaalsContact C-N 3.32Å; C424-E426 PolarHBondContact O-N 3.21Å; E426-H428 VanDerWaalsContact C-N 3.29Å; E426-H428 PolarHBondContact O-N 2.85Å; E426-K429 PolarHBondContact O-N 2.93Å; E426-K429 IonicContact OE1-NZ 3.29Å; E426-K429 PolarHBondContact OE1-NZ 2.99Å; E426-L430 WeakPolarHBondContact O-CG 3.47Å; E426-L430 PolarHBondContact O-N 3.12Å; E426-V884 HydrophobicContact CB-CG1 3.99Å |
| 427 | L | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.4 | -42.8 | 172.8 | -66.4 | 169.4 | 0 | 0 | 0 | 111.6 | L415 I419 L423 C424 K429 L430 V453 G454 I881 V884 | L415-L427 HydrophobicContact CD2-CD1 4.34Å; I419-L427 HydrophobicContact CD1-CD1 3.73Å; L423-L427 WeakPolarHBondContact O-CG 3.41Å; L423-L427 PolarHBondContact O-N 3.42Å; C424-L427 WeakPolarHBondContact O-CB 3.28Å; C424-L427 PolarHBondContact O-N 3.19Å; L427-K429 VanDerWaalsContact C-N 3.28Å; L427-K429 PolarHBondContact O-N 2.95Å; L427-L430 HydrophobicContact CD2-CD1 3.93Å; L427-L430 WeakPolarHBondContact O-CB 3.43Å; L427-L430 WeakPolarHBondContact O-CG 3.36Å; L427-L430 PolarHBondContact O-N 3.11Å; L427-V453 HydrophobicContact CB-CG2 4.46Å; L427-V453 HydrophobicContact CD2-CG2 4.3Å; L427-V453 WeakPolarHBondContact O-CA 3.33Å; L427-G454 PolarHBondContact O-N 2.81Å; L427-I881 HydrophobicContact CD1-CG1 4.46Å; L427-V884 HydrophobicContact CD2-CB 4.33Å; L427-V884 HydrophobicContact CD2-CG1 4.16Å; L427-V884 HydrophobicContact CD2-CG2 4.3Å |
| 428 | H | 98.4 | Very high | 97.4 | Very high | 12 Ų | 12 | 22.6 Ų | 22.6 | 6% | 0.056 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.3 | -32.5 | -179.9 | -61.7 | 174.7 | 0 | 0 | 0 | 113.3 | Y412 C424 L425 E426 L430 G452 G454 L455 S458 | Y412-H428 AromaticContact CD2-CE1 3.8Å; Y412-H428 AromaticContact CD2-NE2 3.87Å; Y412-H428 AromaticContact CE1-NE2 3.96Å; Y412-H428 AromaticContact CE2-CE1 3.77Å; Y412-H428 AromaticContact CE2-NE2 3.78Å; Y412-H428 AromaticContact CG-NE2 4Å; Y412-H428 AromaticContact CZ-NE2 3.83Å; C424-H428 PolarHBondContact O-CD2 2.9Å; C424-H428 PolarHBondContact O-N 3.03Å; L425-H428 PolarHBondContact O-N 3.03Å; E426-H428 VanDerWaalsContact C-N 3.29Å; E426-H428 PolarHBondContact O-N 2.85Å; H428-L430 VanDerWaalsContact C-N 3.35Å; H428-G452 VanDerWaalsContact CA-O 3.29Å; H428-G452 WeakPolarHBondContact CA-O 3.49Å; H428-G452 PolarHBondContact CD2-O 3.4Å; H428-G454 CarbonylContact O-C 3.53Å; H428-L455 HydrophobicContact CB-CB 4.32Å; H428-L455 HydrophobicContact CB-CD1 3.95Å; H428-L455 HydrophobicContact CB-CG 3.97Å; H428-L455 PolarHBondContact O-N 2.94Å; H428-S458 WeakPolarHBondContact O-CB 3.37Å |
| 429 | K | 98.3 | Very high | 97.5 | Very high | 96 Ų | 96 | 23.3 Ų | 23.3 | 42% | 0.417 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -7 | -179.7 | -65 | 167.5 | -161 | 163.6 | 0 | 113.8 | L425 E426 L427 | L425-K429 WeakPolarHBondContact O-CG 3.36Å; L425-K429 PolarHBondContact O-N 2.87Å; E426-K429 PolarHBondContact O-N 2.93Å; E426-K429 IonicContact OE1-NZ 3.29Å; E426-K429 PolarHBondContact OE1-NZ 2.99Å; L427-K429 VanDerWaalsContact C-N 3.28Å; L427-K429 PolarHBondContact O-N 2.95Å |
| 430 | L | 98.1 | Very high | 97.6 | Very high | 10 Ų | 10 | 23.7 Ų | 23.7 | 5% | 0.052 | 12% | 0.123 | C | C | . | . | trans | -63.6 | 140.1 | -171.5 | -69.2 | 177 | 0 | 0 | 0 | 112.9 | E426 L427 H428 V432 V453 G454 G460 E461 N531 V884 | E426-L430 WeakPolarHBondContact O-CG 3.47Å; E426-L430 PolarHBondContact O-N 3.12Å; L427-L430 HydrophobicContact CD2-CD1 3.93Å; L427-L430 WeakPolarHBondContact O-CB 3.43Å; L427-L430 WeakPolarHBondContact O-CG 3.36Å; L427-L430 PolarHBondContact O-N 3.11Å; H428-L430 VanDerWaalsContact C-N 3.35Å; L430-V432 HydrophobicContact CB-CG2 4Å; L430-V432 HydrophobicContact CD1-CG2 4.48Å; L430-V453 HydrophobicContact CB-CG1 4.24Å; L430-V453 HydrophobicContact CD1-CG1 4.21Å; L430-V453 HydrophobicContact CD1-CG2 4.5Å; L430-G454 VanDerWaalsContact O-CA 3.28Å; L430-G454 WeakPolarHBondContact O-CA 3.36Å; L430-G460 CarbonylContact O-C 3.38Å; L430-G460 WeakPolarHBondContact O-CA 3.36Å; L430-E461 PolarHBondContact O-N 2.82Å; L430-N531 HydrophobicContact CD2-CB 3.82Å; L430-V884 HydrophobicContact CD1-CB 4.42Å; L430-V884 HydrophobicContact CD1-CG1 4.14Å; L430-V884 HydrophobicContact CD1-CG2 3.46Å; L430-V884 VanDerWaalsContact CD1-CG2 3.46Å; L430-V884 HydrophobicContact CD2-CG1 3.94Å; L430-V884 HydrophobicContact CD2-CG2 3.87Å; L430-V884 HydrophobicContact CG-CG1 4.36Å; L430-V884 HydrophobicContact CG-CG2 4.28Å | ||
| 431 | R | 98.5 | Very high | 97.7 | Very high | 74 Ų | 74 | 23.7 Ų | 23.7 | 28% | 0.279 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 104.5 | 162.8 | -58.9 | -170.5 | 77.4 | -137.4 | 5.2 | 108.8 | E461 S529 M530 N531 | R431-E461 CarbonylContact C-O 3.56Å; R431-E461 WeakPolarHBondContact CA-O 3.46Å; R431-E461 HydrophobicContact CG-CB 4.41Å; R431-E461 IonicContact CZ-OE2 3.23Å; R431-E461 IonicContact NE-OE2 2.84Å; R431-E461 IonicContact NH2-OE2 3.53Å; R431-E461 PolarHBondContact NH2-OE2 3.01Å; R431-S529 PolarHBondContact NH1-O 3.38Å; R431-S529 PolarHBondContact NH1-OG 2.91Å; R431-M530 HydrophobicContact CB-SD 3.95Å; R431-N531 PolarHBondContact N-OD1 3.3Å; R431-N531 PolarHBondContact O-N 3.12Å |
| 432 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 135.5 | -176.6 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | L430 F448 V453 E461 V462 C463 V532 V534 | L430-V432 HydrophobicContact CB-CG2 4Å; L430-V432 HydrophobicContact CD1-CG2 4.48Å; V432-F448 HydrophobicContact CG1-CE2 4.07Å; V432-F448 HydrophobicContact CG1-CZ 4.03Å; V432-V453 HydrophobicContact CG2-CG1 3.55Å; V432-E461 PolarHBondContact N-O 2.67Å; V432-V462 HydrophobicContact CB-CG1 4.48Å; V432-C463 PolarHBondContact O-N 3.06Å; V432-V532 HydrophobicContact CB-CG1 4.36Å; V432-V532 HydrophobicContact CG1-CG1 4.24Å; V432-V532 HydrophobicContact CG2-CG1 3.72Å; V432-V534 HydrophobicContact CG1-CG2 4.08Å |
| 433 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 110 | 165.6 | 179.6 | -140.6 | 0 | 0 | 0 | 110.4 | V435 C463 T465 V514 Y522 F526 Y527 M530 V532 V533 V534 | F433-V435 HydrophobicContact CD1-CG2 4.02Å; F433-V435 HydrophobicContact CE1-CG2 3.61Å; F433-V435 HydrophobicContact CE2-CG2 4.19Å; F433-V435 HydrophobicContact CZ-CG2 3.71Å; F433-C463 CarbonylContact C-O 3.45Å; F433-C463 WeakPolarHBondContact CA-O 3.48Å; F433-C463 HydrophobicContact CD2-CB 4.22Å; F433-T465 HydrophobicContact CE2-CG2 3.8Å; F433-T465 HydrophobicContact CZ-CG2 4Å; F433-V514 HydrophobicContact CE1-CG2 4.49Å; F433-V514 HydrophobicContact CZ-CG2 3.82Å; F433-Y522 HydrophobicContact CE1-CD1 4.37Å; F433-Y522 HydrophobicContact CE2-CD1 4.15Å; F433-Y522 AromaticContact CE2-CE1 3.78Å; F433-Y522 HydrophobicContact CE2-CE1 3.78Å; F433-Y522 AromaticContact CZ-CD1 3.72Å; F433-Y522 HydrophobicContact CZ-CD1 3.72Å; F433-Y522 AromaticContact CZ-CE1 3.71Å; F433-Y522 HydrophobicContact CZ-CE1 3.71Å; F433-Y522 HydrophobicContact CZ-CG 4.13Å; F433-F526 HydrophobicContact CB-CE1 4.26Å; F433-F526 HydrophobicContact CB-CZ 4.44Å; F433-F526 AromaticContact CD1-CE1 3.67Å; F433-F526 HydrophobicContact CD1-CE1 3.67Å; F433-F526 HydrophobicContact CD1-CZ 4.37Å; F433-F526 AromaticContact CD2-CE1 3.89Å; F433-F526 HydrophobicContact CD2-CE1 3.89Å; F433-F526 AromaticContact CD2-CZ 3.75Å; F433-F526 HydrophobicContact CD2-CZ 3.75Å; F433-F526 AromaticContact CE1-CE1 3.83Å; F433-F526 HydrophobicContact CE1-CE1 3.83Å; F433-F526 HydrophobicContact CE2-CE1 4.06Å; F433-F526 AromaticContact CE2-CZ 3.98Å; F433-F526 HydrophobicContact CE2-CZ 3.98Å; F433-F526 AromaticContact CG-CE1 3.69Å; F433-F526 HydrophobicContact CG-CE1 3.69Å; F433-F526 AromaticContact CG-CZ 3.95Å; F433-F526 HydrophobicContact CG-CZ 3.95Å; F433-F526 HydrophobicContact CZ-CE1 4.01Å; F433-F526 HydrophobicContact CZ-CZ 4.37Å; F433-Y527 HydrophobicContact CD1-CE1 4.17Å; F433-Y527 HydrophobicContact CE1-CE1 4.3Å; F433-Y527 AromaticContact CE1-CZ 3.94Å; F433-M530 HydrophobicContact CB-CE 4.39Å; F433-M530 HydrophobicContact CB-CG 3.9Å; F433-M530 HydrophobicContact CB-SD 4.2Å; F433-V532 PolarHBondContact N-O 3.19Å; F433-V533 HydrophobicContact CB-CG2 4.47Å; F433-V533 HydrophobicContact CD1-CG1 4.19Å; F433-V533 CarbonylContact O-C 3.49Å; F433-V533 WeakPolarHBondContact O-CA 3.44Å; F433-V534 PolarHBondContact O-N 3.47Å |
| 434 | M | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 123.6 | 177 | -168.5 | -177.9 | 67.9 | 0 | 0 | 111 | G436 M444 L445 F448 C463 V464 T465 V534 | M434-G436 WeakPolarHBondContact CE-O 3.25Å; M434-M444 HydrophobicContact SD-CB 3.77Å; M434-L445 HydrophobicContact CE-CD1 3.87Å; M434-L445 HydrophobicContact CE-CD2 4.23Å; M434-L445 HydrophobicContact CE-CG 3.66Å; M434-L445 HydrophobicContact SD-CG 4.48Å; M434-F448 HydrophobicContact SD-CE2 4.01Å; M434-C463 PolarHBondContact N-O 2.83Å; M434-V464 HydrophobicContact CB-CG1 4.16Å; M434-V464 HydrophobicContact CE-CB 4.15Å; M434-V464 HydrophobicContact CE-CG1 3.66Å; M434-V464 WeakPolarHBondContact O-CA 3.27Å; M434-T465 PolarHBondContact O-N 2.9Å; M434-T465 VanDerWaalsContact O-N 3.14Å; M434-V534 CarbonylContact C-O 3.59Å; M434-V534 VanDerWaalsContact CA-O 3.27Å; M434-V534 WeakPolarHBondContact CA-O 3.45Å; M434-V534 HydrophobicContact CG-CB 4.3Å; M434-V534 HydrophobicContact CG-CG1 4.38Å |
| 435 | V | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 18.5 Ų | 18.5 | 4% | 0.036 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 107.4 | 179.8 | -167.9 | 0 | 0 | 0 | 0 | 110.1 | F433 T465 V514 V534 A536 L537 V546 | F433-V435 HydrophobicContact CD1-CG2 4.02Å; F433-V435 HydrophobicContact CE1-CG2 3.61Å; F433-V435 HydrophobicContact CE2-CG2 4.19Å; F433-V435 HydrophobicContact CZ-CG2 3.71Å; V435-T465 HydrophobicContact CG1-CG2 4.24Å; V435-V514 HydrophobicContact CG1-CB 3.91Å; V435-V514 HydrophobicContact CG1-CG2 3.54Å; V435-V514 HydrophobicContact CG2-CG2 4.2Å; V435-V534 PolarHBondContact N-O 3.05Å; V435-A536 CarbonylContact O-C 3.48Å; V435-A536 PolarHBondContact O-N 3.08Å; V435-L537 HydrophobicContact CB-CD2 4.47Å; V435-L537 HydrophobicContact CG1-CD2 3.79Å; V435-L537 HydrophobicContact CG1-CG 4.41Å; V435-V546 HydrophobicContact CB-CG2 4.49Å; V435-V546 HydrophobicContact CG1-CG2 4.36Å; V435-V546 HydrophobicContact CG2-CG1 4.47Å; V435-V546 HydrophobicContact CG2-CG2 4.13Å |
| 436 | G | 97.4 | Very high | 98.1 | Very high | 7 Ų | 7 | 15.5 Ų | 15.5 | 7% | 0.072 | 8% | 0.076 | C | C | . | . | trans | 106.6 | 134.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | M434 T465 A536 | M434-G436 WeakPolarHBondContact CE-O 3.25Å; G436-T465 WeakPolarHBondContact CA-O 3.46Å; G436-T465 PolarHBondContact N-O 2.96Å; G436-A536 WeakPolarHBondContact O-CB 3.49Å | ||
| 437 | C | 96.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | trans | -123 | 31 | 176.8 | -64.5 | 0 | 0 | 0 | 0 | 111.2 | D466 K490 A494 | C437-D466 WeakPolarHBondContact CA-OD2 3.25Å; C437-D466 HydrophobicContact CB-CB 3.73Å; C437-D466 PolarHBondContact N-OD2 3.15Å; C437-K490 HydrophobicContact CB-CB 4.09Å; C437-A494 HydrophobicContact CB-CB 4.48Å | ||
| 438 | G | 95.6 | Very high | 98.2 | Very high | 11 Ų | 11 | 11.4 Ų | 11.4 | 11% | 0.113 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -76.6 | -146.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G441 C442 | G438-G441 PolarHBondContact O-N 2.95Å; G438-C442 PolarHBondContact O-N 3.04Å; G438-C442 PolarHBondContact O-SG 3.48Å |
| 439 | A | 97 | Very high | 98.2 | Very high | 14 Ų | 14 | 10.8 Ų | 10.8 | 12% | 0.116 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -59.4 | -55.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G441 C442 E443 R477 Q478 T869 | A439-G441 VanDerWaalsContact C-N 3.32Å; A439-G441 PolarHBondContact O-N 3.25Å; A439-C442 PolarHBondContact O-N 2.87Å; A439-E443 PolarHBondContact O-N 2.93Å; A439-R477 HydrophobicContact CB-CB 4.41Å; A439-R477 HydrophobicContact CB-CG 3.8Å; A439-Q478 HydrophobicContact CB-CG 4.26Å; A439-T869 HydrophobicContact CB-CG2 3.64Å; A439-T869 WeakPolarHBondContact O-CG2 3.47Å |
| 440 | I | 98.4 | Very high | 98.2 | Very high | 9 Ų | 9 | 6.3 Ų | 6.3 | 5% | 0.046 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -62.6 | -41.2 | 177.6 | -63.1 | 172.5 | 0 | 0 | 0 | 110.3 | C442 E443 M444 A536 T562 T869 V872 | I440-C442 VanDerWaalsContact C-N 3.35Å; I440-C442 PolarHBondContact O-N 3.05Å; I440-E443 PolarHBondContact O-N 2.88Å; I440-M444 HydrophobicContact CG2-CG 3.96Å; I440-M444 WeakPolarHBondContact O-CB 3.33Å; I440-M444 WeakPolarHBondContact O-CG 3.37Å; I440-M444 PolarHBondContact O-N 3.25Å; I440-A536 HydrophobicContact CB-CB 3.96Å; I440-A536 HydrophobicContact CG2-CB 3.9Å; I440-T562 HydrophobicContact CD1-CG2 4.39Å; I440-T869 HydrophobicContact CB-CG2 4.49Å; I440-T869 HydrophobicContact CG1-CG2 3.97Å; I440-V872 HydrophobicContact CD1-CG1 4.45Å |
| 441 | G | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -61.9 | -38.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G438 A439 M444 L445 | G438-G441 PolarHBondContact O-N 2.95Å; A439-G441 VanDerWaalsContact C-N 3.32Å; A439-G441 PolarHBondContact O-N 3.25Å; G441-M444 PolarHBondContact O-N 3.39Å; G441-L445 WeakPolarHBondContact O-CB 3.43Å; G441-L445 WeakPolarHBondContact O-CG 3.48Å; G441-L445 PolarHBondContact O-N 3Å |
| 442 | C | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 2.3 Ų | 2.3 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -63.6 | -43.9 | 173.9 | -70.7 | 0 | 0 | 0 | 0 | 112.3 | G438 A439 I440 K446 L480 | G438-C442 PolarHBondContact O-N 3.04Å; G438-C442 PolarHBondContact O-SG 3.48Å; A439-C442 PolarHBondContact O-N 2.87Å; I440-C442 VanDerWaalsContact C-N 3.35Å; I440-C442 PolarHBondContact O-N 3.05Å; C442-K446 PolarHBondContact O-N 2.8Å; C442-K446 VanDerWaalsContact O-N 3.12Å; C442-L480 HydrophobicContact CB-CB 4.43Å; C442-L480 HydrophobicContact CB-CD1 3.93Å; C442-L480 HydrophobicContact CB-CG 3.95Å |
| 443 | E | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 2.3 Ų | 2.3 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -66.2 | -41.4 | 177 | -70.2 | -65.5 | 149.5 | 0 | 0 | 112.2 | K47 A439 I440 K446 N447 F479 T869 A873 | K47-E443 IonicContact NZ-OE1 2.64Å; K47-E443 PolarHBondContact NZ-OE1 3.28Å; K47-E443 IonicContact NZ-OE2 2.79Å; A439-E443 PolarHBondContact O-N 2.93Å; I440-E443 PolarHBondContact O-N 2.88Å; E443-K446 PolarHBondContact O-N 2.83Å; E443-K446 WeakPolarHBondContact OE2-CE 3.25Å; E443-K446 IonicContact OE2-NZ 3.89Å; E443-K446 PolarHBondContact OE2-NZ 2.91Å; E443-N447 PolarHBondContact O-N 2.96Å; E443-F479 WeakPolarHBondContact OE1-CD1 3.22Å; E443-T869 HydrophobicContact CG-CG2 3.87Å; E443-A873 HydrophobicContact CB-CB 3.32Å; E443-A873 HydrophobicContact CG-CB 4.28Å |
| 444 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 2.3 Ų | 2.3 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -62.9 | -43.9 | 176.2 | -72.9 | -54.1 | -56.3 | 0 | 0 | 111.6 | M434 I440 G441 K446 N447 F448 V534 A873 V876 S877 | M434-M444 HydrophobicContact SD-CB 3.77Å; I440-M444 HydrophobicContact CG2-CG 3.96Å; I440-M444 WeakPolarHBondContact O-CB 3.33Å; I440-M444 WeakPolarHBondContact O-CG 3.37Å; I440-M444 PolarHBondContact O-N 3.25Å; G441-M444 PolarHBondContact O-N 3.39Å; M444-K446 PolarHBondContact O-N 3.14Å; M444-N447 CarbonylContact O-C 3.37Å; M444-N447 PolarHBondContact O-N 2.84Å; M444-N447 VanDerWaalsContact O-N 3.12Å; M444-F448 HydrophobicContact CB-CE2 4.48Å; M444-F448 HydrophobicContact CB-CZ 4.32Å; M444-F448 HydrophobicContact CE-CD1 4.34Å; M444-F448 HydrophobicContact CE-CE1 3.41Å; M444-F448 VanDerWaalsContact CE-CE1 3.41Å; M444-F448 HydrophobicContact CE-CZ 3.68Å; M444-F448 WeakPolarHBondContact O-CD1 3.37Å; M444-F448 VanDerWaalsContact O-CG 3.22Å; M444-F448 WeakPolarHBondContact O-CG 3.36Å; M444-F448 PolarHBondContact O-N 2.88Å; M444-V534 HydrophobicContact CE-CG1 4.08Å; M444-V534 HydrophobicContact CG-CG1 4.41Å; M444-A873 HydrophobicContact CG-CB 4.34Å; M444-A873 HydrophobicContact SD-CB 3.87Å; M444-V876 HydrophobicContact CE-CG1 3.9Å; M444-V876 HydrophobicContact SD-CB 4.1Å; M444-V876 HydrophobicContact SD-CG1 3.98Å; M444-S877 VanDerWaalsContact CE-OG 3.3Å; M444-S877 WeakPolarHBondContact CE-OG 3.42Å |
| 445 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -61.7 | -40.8 | 175.9 | -84.1 | 171 | 0 | 0 | 0 | 112.7 | M434 G441 F448 A449 V462 V464 L480 A494 T498 | M434-L445 HydrophobicContact CE-CD1 3.87Å; M434-L445 HydrophobicContact CE-CD2 4.23Å; M434-L445 HydrophobicContact CE-CG 3.66Å; M434-L445 HydrophobicContact SD-CG 4.48Å; G441-L445 WeakPolarHBondContact O-CB 3.43Å; G441-L445 WeakPolarHBondContact O-CG 3.48Å; G441-L445 PolarHBondContact O-N 3Å; L445-F448 HydrophobicContact CD2-CD2 4.31Å; L445-F448 PolarHBondContact O-N 2.83Å; L445-A449 WeakPolarHBondContact O-CB 3.49Å; L445-A449 PolarHBondContact O-N 3.37Å; L445-V462 HydrophobicContact CD2-CG1 4.29Å; L445-V464 HydrophobicContact CD2-CG1 4.04Å; L445-L480 HydrophobicContact CB-CD1 4.15Å; L445-L480 HydrophobicContact CD1-CD1 4.39Å; L445-A494 HydrophobicContact CD1-CB 3.71Å; L445-T498 HydrophobicContact CB-CG2 4.23Å; L445-T498 HydrophobicContact CD2-CG2 4.29Å |
| 446 | K | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 171.6 | 166.2 | -90.1 | -53.6 | -176.7 | 0 | 111.5 | E44 F74 C442 E443 M444 F448 A449 L450 F479 I501 | E44-K446 WeakPolarHBondContact OE1-CE 3.34Å; E44-K446 IonicContact OE1-NZ 3.23Å; E44-K446 PolarHBondContact OE1-NZ 3.22Å; E44-K446 IonicContact OE2-NZ 3.8Å; F74-K446 HydrophobicContact CB-CG 3.83Å; F74-K446 HydrophobicContact CD1-CD 3.79Å; F74-K446 HydrophobicContact CD1-CG 3.84Å; F74-K446 HydrophobicContact CE1-CD 4.28Å; F74-K446 HydrophobicContact CG-CD 4.3Å; F74-K446 HydrophobicContact CG-CG 3.82Å; C442-K446 PolarHBondContact O-N 2.8Å; C442-K446 VanDerWaalsContact O-N 3.12Å; E443-K446 PolarHBondContact O-N 2.83Å; E443-K446 WeakPolarHBondContact OE2-CE 3.25Å; E443-K446 IonicContact OE2-NZ 3.89Å; E443-K446 PolarHBondContact OE2-NZ 2.91Å; M444-K446 PolarHBondContact O-N 3.14Å; K446-F448 PolarHBondContact O-N 3.34Å; K446-A449 WeakPolarHBondContact O-CB 3.43Å; K446-A449 PolarHBondContact O-N 3.13Å; K446-L450 HydrophobicContact CD-CD1 3.71Å; K446-L450 HydrophobicContact CG-CD1 4.16Å; K446-L450 VanDerWaalsContact O-CG 3.32Å; K446-L450 WeakPolarHBondContact O-CG 3.31Å; K446-L450 PolarHBondContact O-N 3.08Å; K446-F479 HydrophobicContact CB-CE1 4.2Å; K446-F479 HydrophobicContact CB-CZ 3.74Å; K446-F479 HydrophobicContact CG-CZ 3.89Å; K446-I501 HydrophobicContact CB-CD1 3.98Å; K446-I501 HydrophobicContact CG-CD1 4.16Å |
| 447 | N | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.7 | -40.2 | 176.5 | -69.6 | -18.5 | 0 | 0 | 0 | 111.6 | E443 M444 A449 L450 L451 A873 S877 | E443-N447 PolarHBondContact O-N 2.96Å; M444-N447 CarbonylContact O-C 3.37Å; M444-N447 PolarHBondContact O-N 2.84Å; M444-N447 VanDerWaalsContact O-N 3.12Å; N447-A449 VanDerWaalsContact C-N 3.34Å; N447-A449 PolarHBondContact O-N 3.26Å; N447-L450 PolarHBondContact O-N 3.49Å; N447-L451 VanDerWaalsContact O-CB 3.27Å; N447-L451 WeakPolarHBondContact O-CB 3.49Å; N447-L451 VanDerWaalsContact O-CG 3.22Å; N447-L451 WeakPolarHBondContact O-CG 3.34Å; N447-L451 PolarHBondContact O-N 2.84Å; N447-A873 PolarHBondContact ND2-O 2.83Å; N447-A873 VanDerWaalsContact ND2-O 3.14Å; N447-S877 VanDerWaalsContact CB-OG 3.31Å; N447-S877 WeakPolarHBondContact CB-OG 2.88Å; N447-S877 PolarHBondContact ND2-OG 3.24Å |
| 448 | F | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60 | -43.2 | 173.4 | -66.9 | -13 | 0 | 0 | 0 | 111.7 | V432 M434 M444 L445 K446 L450 L451 G452 V453 V462 L505 V534 L880 | V432-F448 HydrophobicContact CG1-CE2 4.07Å; V432-F448 HydrophobicContact CG1-CZ 4.03Å; M434-F448 HydrophobicContact SD-CE2 4.01Å; M444-F448 HydrophobicContact CB-CE2 4.48Å; M444-F448 HydrophobicContact CB-CZ 4.32Å; M444-F448 HydrophobicContact CE-CD1 4.34Å; M444-F448 HydrophobicContact CE-CE1 3.41Å; M444-F448 VanDerWaalsContact CE-CE1 3.41Å; M444-F448 HydrophobicContact CE-CZ 3.68Å; M444-F448 WeakPolarHBondContact O-CD1 3.37Å; M444-F448 VanDerWaalsContact O-CG 3.22Å; M444-F448 WeakPolarHBondContact O-CG 3.36Å; M444-F448 PolarHBondContact O-N 2.88Å; L445-F448 HydrophobicContact CD2-CD2 4.31Å; L445-F448 PolarHBondContact O-N 2.83Å; K446-F448 PolarHBondContact O-N 3.34Å; F448-L450 PolarHBondContact O-N 2.65Å; F448-L451 PolarHBondContact O-N 3.43Å; F448-G452 PolarHBondContact O-N 3.04Å; F448-V453 HydrophobicContact CB-CB 3.89Å; F448-V453 HydrophobicContact CB-CG1 4.42Å; F448-V453 HydrophobicContact CB-CG2 4.43Å; F448-V453 HydrophobicContact CD1-CB 4.17Å; F448-V453 HydrophobicContact CD1-CG1 4.25Å; F448-V453 HydrophobicContact CD1-CG2 4.06Å; F448-V453 HydrophobicContact CG-CB 4.12Å; F448-V453 HydrophobicContact CG-CG1 4.21Å; F448-V453 HydrophobicContact CG-CG2 4.49Å; F448-V453 PolarHBondContact O-N 3.38Å; F448-V462 HydrophobicContact CD2-CG1 3.85Å; F448-V462 HydrophobicContact CD2-CG2 4.38Å; F448-V462 HydrophobicContact CE2-CG1 4.07Å; F448-L505 HydrophobicContact CB-CD2 4.38Å; F448-V534 HydrophobicContact CZ-CG2 4.14Å; F448-L880 HydrophobicContact CD1-CD2 4.07Å; F448-L880 HydrophobicContact CE1-CD2 3.6Å |
| 449 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L445 K446 N447 G452 T498 I501 N502 L505 | L445-A449 WeakPolarHBondContact O-CB 3.49Å; L445-A449 PolarHBondContact O-N 3.37Å; K446-A449 WeakPolarHBondContact O-CB 3.43Å; K446-A449 PolarHBondContact O-N 3.13Å; N447-A449 VanDerWaalsContact C-N 3.34Å; N447-A449 PolarHBondContact O-N 3.26Å; A449-G452 PolarHBondContact O-N 3.15Å; A449-T498 HydrophobicContact CB-CG2 3.88Å; A449-I501 HydrophobicContact CB-CB 3.95Å; A449-I501 HydrophobicContact CB-CG2 3.65Å; A449-N502 HydrophobicContact CB-CB 3.97Å; A449-N502 PolarHBondContact O-ND2 2.81Å; A449-L505 HydrophobicContact CB-CD1 4.35Å; A449-L505 HydrophobicContact CB-CD2 4.34Å |
| 450 | L | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -73.4 | -31.7 | 179.8 | -63.2 | 176.1 | 0 | 0 | 0 | 112.8 | F74 P357 K446 N447 F448 G452 I501 | F74-L450 HydrophobicContact CB-CD1 4.33Å; F74-L450 HydrophobicContact CB-CD2 4.23Å; F74-L450 HydrophobicContact CD1-CD1 4.17Å; P357-L450 HydrophobicContact CB-CB 3.82Å; P357-L450 HydrophobicContact CB-CD1 3.78Å; P357-L450 HydrophobicContact CB-CG 4.43Å; P357-L450 HydrophobicContact CG-CB 4Å; K446-L450 HydrophobicContact CD-CD1 3.71Å; K446-L450 HydrophobicContact CG-CD1 4.16Å; K446-L450 VanDerWaalsContact O-CG 3.32Å; K446-L450 WeakPolarHBondContact O-CG 3.31Å; K446-L450 PolarHBondContact O-N 3.08Å; N447-L450 PolarHBondContact O-N 3.49Å; F448-L450 PolarHBondContact O-N 2.65Å; L450-G452 VanDerWaalsContact C-N 3.32Å; L450-I501 HydrophobicContact CD2-CG2 4.13Å |
| 451 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -80.2 | -11.4 | 174.8 | -70.7 | 177 | 0 | 0 | 0 | 113.7 | P358 L415 N447 F448 V453 I881 | P358-L451 HydrophobicContact CG-CD1 3.9Å; P358-L451 HydrophobicContact CG-CD2 3.86Å; P358-L451 HydrophobicContact CG-CG 4.09Å; L415-L451 HydrophobicContact CD1-CD2 3.73Å; L415-L451 HydrophobicContact CD2-CD2 3.75Å; L415-L451 HydrophobicContact CG-CD2 4.41Å; N447-L451 VanDerWaalsContact O-CB 3.27Å; N447-L451 WeakPolarHBondContact O-CB 3.49Å; N447-L451 VanDerWaalsContact O-CG 3.22Å; N447-L451 WeakPolarHBondContact O-CG 3.34Å; N447-L451 PolarHBondContact O-N 2.84Å; F448-L451 PolarHBondContact O-N 3.43Å; L451-V453 VanDerWaalsContact C-N 3.34Å; L451-V453 HydrophobicContact CB-CG2 3.85Å; L451-V453 HydrophobicContact CD1-CG2 4.47Å; L451-I881 HydrophobicContact CD1-CD1 4.49Å; L451-I881 HydrophobicContact CD1-CG1 4.4Å; L451-I881 HydrophobicContact CD2-CD1 3.93Å; L451-I881 HydrophobicContact CD2-CG1 4.45Å |
| 452 | G | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 30.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H428 F448 A449 L450 G454 L455 | H428-G452 VanDerWaalsContact CA-O 3.29Å; H428-G452 WeakPolarHBondContact CA-O 3.49Å; H428-G452 PolarHBondContact CD2-O 3.4Å; F448-G452 PolarHBondContact O-N 3.04Å; A449-G452 PolarHBondContact O-N 3.15Å; L450-G452 VanDerWaalsContact C-N 3.32Å; G452-G454 PolarHBondContact O-N 3.35Å; G452-L455 WeakPolarHBondContact O-CD2 3.45Å; G452-L455 VanDerWaalsContact O-CG 3.26Å; G452-L455 WeakPolarHBondContact O-CG 3.34Å |
| 453 | V | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 126.3 | -178.4 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | L427 L430 V432 F448 L451 V462 L880 | L427-V453 HydrophobicContact CB-CG2 4.46Å; L427-V453 HydrophobicContact CD2-CG2 4.3Å; L427-V453 WeakPolarHBondContact O-CA 3.33Å; L430-V453 HydrophobicContact CB-CG1 4.24Å; L430-V453 HydrophobicContact CD1-CG1 4.21Å; L430-V453 HydrophobicContact CD1-CG2 4.5Å; V432-V453 HydrophobicContact CG2-CG1 3.55Å; F448-V453 HydrophobicContact CB-CB 3.89Å; F448-V453 HydrophobicContact CB-CG1 4.42Å; F448-V453 HydrophobicContact CB-CG2 4.43Å; F448-V453 HydrophobicContact CD1-CB 4.17Å; F448-V453 HydrophobicContact CD1-CG1 4.25Å; F448-V453 HydrophobicContact CD1-CG2 4.06Å; F448-V453 HydrophobicContact CG-CB 4.12Å; F448-V453 HydrophobicContact CG-CG1 4.21Å; F448-V453 HydrophobicContact CG-CG2 4.49Å; F448-V453 PolarHBondContact O-N 3.38Å; L451-V453 VanDerWaalsContact C-N 3.34Å; L451-V453 HydrophobicContact CB-CG2 3.85Å; L451-V453 HydrophobicContact CD1-CG2 4.47Å; V453-V462 HydrophobicContact CG1-CG2 4.05Å; V453-L880 HydrophobicContact CG2-CD2 4.3Å |
| 454 | G | 96.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 55.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L427 H428 L430 G452 Q506 | L427-G454 PolarHBondContact O-N 2.81Å; H428-G454 CarbonylContact O-C 3.53Å; L430-G454 VanDerWaalsContact O-CA 3.28Å; L430-G454 WeakPolarHBondContact O-CA 3.36Å; G452-G454 PolarHBondContact O-N 3.35Å; G454-Q506 PolarHBondContact O-N 3.31Å |
| 455 | L | 97.6 | Very high | 97.4 | Very high | 6 Ų | 6 | 19.5 Ų | 19.5 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | B | Isolated β-bridge | trans | -78.3 | 136 | 178.2 | -55.7 | -171.2 | 0 | 0 | 0 | 111.4 | Y412 H428 G452 K457 S458 S459 G460 E504 L505 | Y412-L455 HydrophobicContact CE2-CD1 4.27Å; Y412-L455 WeakPolarHBondContact OH-CD1 3.32Å; H428-L455 HydrophobicContact CB-CB 4.32Å; H428-L455 HydrophobicContact CB-CD1 3.95Å; H428-L455 HydrophobicContact CB-CG 3.97Å; H428-L455 PolarHBondContact O-N 2.94Å; G452-L455 WeakPolarHBondContact O-CD2 3.45Å; G452-L455 VanDerWaalsContact O-CG 3.26Å; G452-L455 WeakPolarHBondContact O-CG 3.34Å; L455-K457 VanDerWaalsContact C-N 3.26Å; L455-K457 PolarHBondContact O-N 2.76Å; L455-S458 PolarHBondContact O-N 3.21Å; L455-S459 PolarHBondContact O-N 2.87Å; L455-G460 PolarHBondContact O-N 3.34Å; L455-E504 WeakPolarHBondContact CA-O 3.31Å; L455-E504 HydrophobicContact CD2-CB 4.07Å; L455-L505 HydrophobicContact CD2-CD1 3.85Å; L455-L505 HydrophobicContact CD2-CG 4.25Å |
| 456 | A | 93 | Very high | 97.4 | Very high | 53 Ų | 53 | 20 Ų | 20 | 44% | 0.438 | 12% | 0.118 | S | C | . | . | G | 310 helix | trans | -57.5 | -40 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | S458 S459 E504 Q506 | A456-S458 PolarHBondContact O-N 2.82Å; A456-S459 PolarHBondContact O-N 2.94Å; A456-E504 PolarHBondContact N-O 3.39Å; A456-E504 VanDerWaalsContact N-O 3.11Å; A456-Q506 HydrophobicContact CB-CB 4.05Å |
| 457 | K | 94.8 | Very high | 97.3 | Very high | 164 Ų | 164 | 23.2 Ų | 23.2 | 71% | 0.713 | 14% | 0.138 | S | C | * | . | G | 310 helix | trans | -64.3 | -19.6 | 179.2 | -67.5 | 176.7 | -179 | 168.4 | 0 | 113.4 | L455 E504 | L455-K457 VanDerWaalsContact C-N 3.26Å; L455-K457 PolarHBondContact O-N 2.76Å; K457-E504 IonicContact NZ-OE1 2.65Å; K457-E504 PolarHBondContact NZ-OE1 3.12Å |
| 458 | S | 94.6 | Very high | 97.1 | Very high | 36 Ų | 36 | 26.5 Ų | 26.5 | 25% | 0.252 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -107 | 10.6 | -178.7 | -61.7 | 0 | 0 | 0 | 0 | 112.6 | H428 L455 A456 G460 | H428-S458 WeakPolarHBondContact O-CB 3.37Å; L455-S458 PolarHBondContact O-N 3.21Å; A456-S458 PolarHBondContact O-N 2.82Å; S458-G460 PolarHBondContact O-N 2.76Å |
| 459 | S | 93.8 | Very high | 97 | Very high | 107 Ų | 107 | 30.1 Ų | 30.1 | 75% | 0.748 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 21.8 | -173.4 | -52.1 | 0 | 0 | 0 | 0 | 114 | L455 A456 | L455-S459 PolarHBondContact O-N 2.87Å; A456-S459 PolarHBondContact O-N 2.94Å |
| 460 | G | 97.3 | Very high | 96.9 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | trans | -84.9 | 165.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L430 L455 S458 Q506 | L430-G460 CarbonylContact O-C 3.38Å; L430-G460 WeakPolarHBondContact O-CA 3.36Å; L455-G460 PolarHBondContact O-N 3.34Å; S458-G460 PolarHBondContact O-N 2.76Å; G460-Q506 WeakPolarHBondContact O-CB 3.14Å | ||
| 461 | E | 98.1 | Very high | 96.6 | Very high | 36 Ų | 36 | 32.5 Ų | 32.5 | 17% | 0.168 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 141.2 | -176.5 | 179.6 | 175.1 | -99.9 | 0 | 0 | 111.6 | L430 R431 V432 Q506 D508 | L430-E461 PolarHBondContact O-N 2.82Å; R431-E461 CarbonylContact C-O 3.56Å; R431-E461 WeakPolarHBondContact CA-O 3.46Å; R431-E461 HydrophobicContact CG-CB 4.41Å; R431-E461 IonicContact CZ-OE2 3.23Å; R431-E461 IonicContact NE-OE2 2.84Å; R431-E461 IonicContact NH2-OE2 3.53Å; R431-E461 PolarHBondContact NH2-OE2 3.01Å; V432-E461 PolarHBondContact N-O 2.67Å; E461-Q506 CarbonylContact C-O 3.59Å; E461-Q506 HydrophobicContact CB-CG 4.25Å; E461-Q506 HydrophobicContact CG-CG 4.16Å; E461-D508 HydrophobicContact CG-CB 4.43Å |
| 462 | V | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 102 | 168.9 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | V432 L445 F448 V453 V464 Q506 V507 D508 | V432-V462 HydrophobicContact CB-CG1 4.48Å; L445-V462 HydrophobicContact CD2-CG1 4.29Å; F448-V462 HydrophobicContact CD2-CG1 3.85Å; F448-V462 HydrophobicContact CD2-CG2 4.38Å; F448-V462 HydrophobicContact CE2-CG1 4.07Å; V453-V462 HydrophobicContact CG1-CG2 4.05Å; V462-V464 HydrophobicContact CG1-CG1 3.75Å; V462-Q506 PolarHBondContact N-O 3.11Å; V462-V507 CarbonylContact O-C 3.47Å; V462-V507 VanDerWaalsContact O-CA 3.31Å; V462-V507 WeakPolarHBondContact O-CA 3.37Å; V462-D508 PolarHBondContact O-N 3.2Å |
| 463 | C | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 123.1 | 171.1 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | V432 F433 M434 D508 F526 M530 | V432-C463 PolarHBondContact O-N 3.06Å; F433-C463 CarbonylContact C-O 3.45Å; F433-C463 WeakPolarHBondContact CA-O 3.48Å; F433-C463 HydrophobicContact CD2-CB 4.22Å; M434-C463 PolarHBondContact N-O 2.83Å; C463-D508 CarbonylContact C-O 3.32Å; C463-D508 WeakPolarHBondContact CA-O 3.4Å; C463-F526 HydrophobicContact CB-CZ 4.31Å; C463-M530 HydrophobicContact CB-CE 3.88Å |
| 464 | V | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 143.7 | 179.5 | -54.1 | 0 | 0 | 0 | 0 | 110.5 | M434 L445 V462 V507 D508 A509 H510 | M434-V464 HydrophobicContact CB-CG1 4.16Å; M434-V464 HydrophobicContact CE-CB 4.15Å; M434-V464 HydrophobicContact CE-CG1 3.66Å; M434-V464 WeakPolarHBondContact O-CA 3.27Å; L445-V464 HydrophobicContact CD2-CG1 4.04Å; V462-V464 HydrophobicContact CG1-CG1 3.75Å; V464-V507 HydrophobicContact CG1-CG1 4.14Å; V464-V507 HydrophobicContact CG2-CG1 4.02Å; V464-D508 PolarHBondContact N-O 3.02Å; V464-A509 HydrophobicContact CG2-CB 3.82Å; V464-H510 PolarHBondContact O-N 3.46Å |
| 465 | T | 98.5 | Very high | 95.8 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 136.3 | 173.8 | -166.8 | 0 | 0 | 0 | 0 | 112.7 | F433 M434 V435 G436 H510 N512 V514 Y522 | F433-T465 HydrophobicContact CE2-CG2 3.8Å; F433-T465 HydrophobicContact CZ-CG2 4Å; M434-T465 PolarHBondContact O-N 2.9Å; M434-T465 VanDerWaalsContact O-N 3.14Å; V435-T465 HydrophobicContact CG1-CG2 4.24Å; G436-T465 WeakPolarHBondContact CA-O 3.46Å; G436-T465 PolarHBondContact N-O 2.96Å; T465-H510 WeakPolarHBondContact CA-O 3.46Å; T465-N512 PolarHBondContact OG1-N 2.71Å; T465-N512 PolarHBondContact OG1-O 3.28Å; T465-V514 HydrophobicContact CG2-CG2 3.42Å; T465-V514 VanDerWaalsContact CG2-CG2 3.42Å; T465-Y522 WeakPolarHBondContact CB-OH 3.3Å; T465-Y522 PolarHBondContact OG1-OH 3.02Å |
| 466 | D | 98 | Very high | 95.7 | Very high | 11 Ų | 11 | 37.5 Ų | 37.5 | 6% | 0.059 | 21% | 0.209 | C | C | . | . | trans | -155.7 | 123.4 | 173.4 | -165 | -47.1 | 0 | 0 | 0 | 108.6 | C437 D468 K490 H510 | C437-D466 WeakPolarHBondContact CA-OD2 3.25Å; C437-D466 HydrophobicContact CB-CB 3.73Å; C437-D466 PolarHBondContact N-OD2 3.15Å; D466-D468 VanDerWaalsContact C-N 3.29Å; D466-D468 VanDerWaalsContact OD1-CB 3.24Å; D466-D468 WeakPolarHBondContact OD1-CB 3.41Å; D466-D468 PolarHBondContact OD1-N 2.99Å; D466-K490 HydrophobicContact CB-CB 4.28Å; D466-H510 PolarHBondContact N-O 2.8Å | ||
| 467 | P | 95.9 | Very high | 95.8 | Very high | 67 Ų | 67 | 36 Ų | 36 | 44% | 0.435 | 19% | 0.192 | S | C | . | . | trans | -79.2 | -10.4 | 179.8 | 34.1 | -36.5 | 0 | 0 | 0 | 113.6 | L511 K513 | P467-L511 WeakPolarHBondContact CA-O 3.41Å; P467-K513 HydrophobicContact CB-CB 4.39Å; P467-K513 HydrophobicContact CG-CB 4.19Å | ||
| 468 | D | 95.4 | Very high | 96 | Very high | 69 Ų | 69 | 28.5 Ų | 28.5 | 37% | 0.369 | 16% | 0.159 | S | C | . | . | P | Polyproline II helix | trans | -84.1 | 156.5 | -171 | -65.9 | -11.3 | 0 | 0 | 0 | 113.2 | D466 K490 | D466-D468 VanDerWaalsContact C-N 3.29Å; D466-D468 VanDerWaalsContact OD1-CB 3.24Å; D466-D468 WeakPolarHBondContact OD1-CB 3.41Å; D466-D468 PolarHBondContact OD1-N 2.99Å; D468-K490 HydrophobicContact CB-CD 3.88Å; D468-K490 HydrophobicContact CB-CG 4.46Å; D468-K490 VanDerWaalsContact CB-NZ 3.26Å; D468-K490 PolarHBondContact O-N 3.18Å; D468-K490 IonicContact OD2-NZ 3.68Å; D468-K490 PolarHBondContact OD2-NZ 3.33Å |
| 469 | L | 95.8 | Very high | 96.1 | Very high | 76 Ų | 76 | 27 Ų | 27 | 40% | 0.398 | 15% | 0.148 | S | C | . | . | B | Isolated β-bridge | trans | -93.6 | 159.2 | 168.3 | -55.7 | -178.5 | 0 | 0 | 0 | 111 | K488 P489 K490 | L469-K488 CarbonylContact C-O 3.59Å; L469-K488 WeakPolarHBondContact CA-O 3.21Å; L469-P489 HydrophobicContact CD2-CB 4.21Å; L469-P489 HydrophobicContact CD2-CG 4.1Å; L469-K490 VanDerWaalsContact O-CE 3.3Å; L469-K490 WeakPolarHBondContact O-CE 3.24Å |
| 470 | I | 96.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | P | Polyproline II helix | trans | -77.2 | 126.3 | 177.6 | -63 | 163.5 | 0 | 0 | 0 | 110.1 | L475 F481 H485 Q487 K488 K490 T493 | I470-L475 HydrophobicContact CG2-CD2 4.27Å; I470-F481 HydrophobicContact CD1-CB 4.33Å; I470-F481 HydrophobicContact CD1-CD1 3.52Å; I470-F481 HydrophobicContact CD1-CD2 4.04Å; I470-F481 HydrophobicContact CD1-CE1 3.76Å; I470-F481 HydrophobicContact CD1-CE2 4.25Å; I470-F481 HydrophobicContact CD1-CG 3.69Å; I470-F481 HydrophobicContact CD1-CZ 4.13Å; I470-F481 HydrophobicContact CG1-CD1 4.24Å; I470-F481 HydrophobicContact CG1-CD2 3.86Å; I470-F481 HydrophobicContact CG1-CE1 4.3Å; I470-F481 HydrophobicContact CG1-CE2 3.93Å; I470-F481 HydrophobicContact CG1-CG 4.04Å; I470-F481 HydrophobicContact CG1-CZ 4.17Å; I470-F481 HydrophobicContact CG2-CB 4.18Å; I470-F481 HydrophobicContact CG2-CD2 4.11Å; I470-F481 HydrophobicContact CG2-CG 4.24Å; I470-H485 HydrophobicContact CD1-CB 3.76Å; I470-Q487 PolarHBondContact O-N 2.96Å; I470-K488 HydrophobicContact CD1-CB 4.45Å; I470-K488 WeakPolarHBondContact CG1-O 3.49Å; I470-K488 PolarHBondContact N-O 3.33Å; I470-K490 HydrophobicContact CG1-CB 4.48Å; I470-K490 HydrophobicContact CG1-CG 3.76Å; I470-T493 HydrophobicContact CD1-CG2 3.74Å |
| 471 | E | 91.9 | Very high | 96.4 | Very high | 51 Ų | 51 | 22.5 Ų | 22.5 | 24% | 0.238 | 12% | 0.115 | C | C | . | . | trans | -106 | 160 | 173.2 | -62.5 | 171.5 | -173.5 | 0 | 0 | 111.8 | S473 N474 | E471-S473 VanDerWaalsContact C-N 3.26Å; E471-S473 PolarHBondContact O-N 3.11Å; E471-S473 PolarHBondContact OE2-OG 3.33Å; E471-N474 PolarHBondContact N-OD1 3.49Å; E471-N474 VanDerWaalsContact N-OD1 3.08Å; E471-N474 WeakPolarHBondContact O-CB 3.48Å; E471-N474 PolarHBondContact O-N 3.05Å | ||
| 472 | K | 92.6 | Very high | 96.3 | Very high | 82 Ų | 82 | 22.9 Ų | 22.9 | 36% | 0.357 | 12% | 0.115 | S | C | . | . | G | 310 helix | trans | -58.5 | -38.2 | 175.8 | -170.6 | 171.3 | 172 | -163.1 | 0 | 112.6 | D9 S11 N474 L475 I486 | D9-K472 IonicContact OD1-NZ 3.85Å; D9-K472 PolarHBondContact OD1-NZ 2.95Å; D9-K472 WeakPolarHBondContact OD2-CE 3.19Å; D9-K472 IonicContact OD2-NZ 3.57Å; D9-K472 PolarHBondContact OD2-NZ 3.2Å; S11-K472 CarbonylContact O-C 3.58Å; S11-K472 VanDerWaalsContact OG-CD 3.24Å; S11-K472 WeakPolarHBondContact OG-CD 3.41Å; S11-K472 WeakPolarHBondContact OG-CE 3.34Å; S11-K472 PolarHBondContact OG-NZ 3.29Å; K472-N474 PolarHBondContact O-N 2.83Å; K472-N474 VanDerWaalsContact O-N 3.08Å; K472-L475 PolarHBondContact O-N 2.89Å; K472-I486 HydrophobicContact CB-CD1 4.01Å; K472-I486 HydrophobicContact CG-CD1 4.32Å |
| 473 | S | 91.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 3% | 0.028 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -62.8 | -16.5 | 178.3 | 79.2 | 0 | 0 | 0 | 0 | 113.8 | S11 E471 R477 | S11-S473 WeakPolarHBondContact O-CA 3.43Å; S11-S473 PolarHBondContact O-N 3.16Å; S11-S473 VanDerWaalsContact O-N 3.11Å; E471-S473 VanDerWaalsContact C-N 3.26Å; E471-S473 PolarHBondContact O-N 3.11Å; E471-S473 PolarHBondContact OE2-OG 3.33Å; S473-R477 PolarHBondContact O-NH1 2.87Å |
| 474 | N | 95 | Very high | 95.9 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 3% | 0.032 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -80.3 | -32.8 | -177.6 | -64.7 | 174.7 | 0 | 0 | 0 | 111.7 | E471 K472 N476 R477 Q478 K490 | E471-N474 PolarHBondContact N-OD1 3.49Å; E471-N474 VanDerWaalsContact N-OD1 3.08Å; E471-N474 WeakPolarHBondContact O-CB 3.48Å; E471-N474 PolarHBondContact O-N 3.05Å; K472-N474 PolarHBondContact O-N 2.83Å; K472-N474 VanDerWaalsContact O-N 3.08Å; N474-N476 PolarHBondContact O-N 2.87Å; N474-N476 VanDerWaalsContact O-N 3.12Å; N474-R477 PolarHBondContact O-N 2.96Å; N474-Q478 HydrophobicContact CB-CB 4.48Å; N474-Q478 HydrophobicContact CB-CG 4.45Å; N474-Q478 VanDerWaalsContact CB-OE1 3.31Å; N474-Q478 WeakPolarHBondContact O-CB 3.49Å; N474-Q478 PolarHBondContact O-N 2.7Å; N474-K490 WeakPolarHBondContact OD1-CE 3.5Å |
| 475 | L | 96.4 | Very high | 95.9 | Very high | 17 Ų | 17 | 34.1 Ų | 34.1 | 9% | 0.089 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -28.2 | -171.1 | -57.2 | -179 | 0 | 0 | 0 | 113.4 | L12 L51 I470 K472 R477 F481 P483 I486 | L12-L475 HydrophobicContact CD1-CB 3.79Å; L51-L475 WeakPolarHBondContact CD2-O 3.49Å; I470-L475 HydrophobicContact CG2-CD2 4.27Å; K472-L475 PolarHBondContact O-N 2.89Å; L475-R477 PolarHBondContact O-N 3.23Å; L475-F481 HydrophobicContact CD2-CB 3.57Å; L475-P483 HydrophobicContact CD1-CB 4.41Å; L475-P483 HydrophobicContact CD1-CG 4.08Å; L475-I486 HydrophobicContact CD1-CD1 4.34Å |
| 476 | N | 95.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.011 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -15.4 | 177.3 | 165.3 | -104.5 | 0 | 0 | 0 | 114.3 | L12 Q16 L51 N474 | L12-N476 HydrophobicContact CD1-CB 4.2Å; L12-N476 HydrophobicContact CG-CB 4.47Å; L12-N476 WeakPolarHBondContact O-CB 3.2Å; Q16-N476 WeakPolarHBondContact CB-OD1 3.27Å; Q16-N476 PolarHBondContact OE1-ND2 3.42Å; L51-N476 PolarHBondContact O-ND2 2.85Å; N474-N476 PolarHBondContact O-N 2.87Å; N474-N476 VanDerWaalsContact O-N 3.12Å |
| 477 | R | 95.9 | Very high | 95.6 | Very high | 22 Ų | 22 | 42.6 Ų | 42.6 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -143.8 | -4.1 | 179.7 | 67.8 | -171.3 | 172.4 | -65.9 | -11.1 | 115.4 | R15 A439 S473 N474 L475 A866 | R15-R477 VanDerWaalsContact CG-NH1 3.3Å; A439-R477 HydrophobicContact CB-CB 4.41Å; A439-R477 HydrophobicContact CB-CG 3.8Å; S473-R477 PolarHBondContact O-NH1 2.87Å; N474-R477 PolarHBondContact O-N 2.96Å; L475-R477 PolarHBondContact O-N 3.23Å; R477-A866 HydrophobicContact CB-CB 4.24Å |
| 478 | Q | 97.4 | Very high | 95.6 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 3% | 0.033 | 21% | 0.213 | C | C | . | . | trans | -110.8 | 72.8 | 177.5 | -68.1 | 171.4 | 22.8 | 0 | 0 | 108 | A439 N474 L480 F481 | A439-Q478 HydrophobicContact CB-CG 4.26Å; N474-Q478 HydrophobicContact CB-CB 4.48Å; N474-Q478 HydrophobicContact CB-CG 4.45Å; N474-Q478 VanDerWaalsContact CB-OE1 3.31Å; N474-Q478 WeakPolarHBondContact O-CB 3.49Å; N474-Q478 PolarHBondContact O-N 2.7Å; Q478-L480 PolarHBondContact O-N 3.31Å; Q478-L480 VanDerWaalsContact O-N 3.09Å; Q478-F481 HydrophobicContact CB-CD2 3.49Å; Q478-F481 VanDerWaalsContact CB-CD2 3.49Å; Q478-F481 HydrophobicContact CB-CE2 3.79Å; Q478-F481 HydrophobicContact CB-CG 4.45Å; Q478-F481 HydrophobicContact CG-CD2 4.43Å; Q478-F481 HydrophobicContact CG-CE2 4.34Å; Q478-F481 WeakPolarHBondContact O-CB 3.24Å; Q478-F481 PolarHBondContact O-N 3.01Å | ||
| 479 | F | 97.7 | Very high | 95.8 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -11.3 | -164.5 | 85.6 | -85.2 | 0 | 0 | 0 | 114.5 | K47 L51 F74 F75 L98 E443 K446 F481 R482 | K47-F479 HydrophobicContact CD-CB 4.23Å; K47-F479 HydrophobicContact CD-CD1 3.83Å; K47-F479 HydrophobicContact CD-CD2 3.92Å; K47-F479 HydrophobicContact CD-CE1 4.16Å; K47-F479 HydrophobicContact CD-CE2 4.25Å; K47-F479 HydrophobicContact CD-CG 3.71Å; K47-F479 HydrophobicContact CD-CZ 4.36Å; K47-F479 HydrophobicContact CG-CB 4.41Å; K47-F479 HydrophobicContact CG-CG 4.35Å; L51-F479 HydrophobicContact CD1-CB 3.78Å; L51-F479 HydrophobicContact CD2-CB 4.48Å; F74-F479 AromaticContact CD2-CE2 3.94Å; F74-F479 HydrophobicContact CD2-CE2 3.94Å; F74-F479 HydrophobicContact CD2-CZ 4.37Å; F74-F479 AromaticContact CE2-CE2 3.93Å; F74-F479 HydrophobicContact CE2-CE2 3.93Å; F74-F479 HydrophobicContact CE2-CZ 4.42Å; F75-F479 HydrophobicContact CZ-CD2 4.4Å; L98-F479 HydrophobicContact CD2-CB 3.97Å; L98-F479 HydrophobicContact CD2-CD2 4.29Å; E443-F479 WeakPolarHBondContact OE1-CD1 3.22Å; K446-F479 HydrophobicContact CB-CE1 4.2Å; K446-F479 HydrophobicContact CB-CZ 3.74Å; K446-F479 HydrophobicContact CG-CZ 3.89Å; F479-F481 PolarHBondContact O-N 3.42Å; F479-R482 PolarHBondContact O-NH1 3.41Å |
| 480 | L | 98.3 | Very high | 95.9 | Very high | 10 Ų | 10 | 39.5 Ų | 39.5 | 5% | 0.052 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -14.7 | 170.9 | -63.8 | -176.5 | 0 | 0 | 0 | 112.2 | C442 L445 Q478 A494 A497 I501 | C442-L480 HydrophobicContact CB-CB 4.43Å; C442-L480 HydrophobicContact CB-CD1 3.93Å; C442-L480 HydrophobicContact CB-CG 3.95Å; L445-L480 HydrophobicContact CB-CD1 4.15Å; L445-L480 HydrophobicContact CD1-CD1 4.39Å; Q478-L480 PolarHBondContact O-N 3.31Å; Q478-L480 VanDerWaalsContact O-N 3.09Å; L480-A494 HydrophobicContact CD1-CB 4.2Å; L480-A497 HydrophobicContact CB-CB 3.99Å; L480-A497 HydrophobicContact CD2-CB 4.3Å; L480-I501 HydrophobicContact CD2-CD1 4.01Å |
| 481 | F | 98.1 | Very high | 96 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 2% | 0.022 | 19% | 0.191 | C | C | . | . | trans | -97.7 | 158.8 | -179.3 | -53.5 | -33.8 | 0 | 0 | 0 | 112.2 | I470 L475 Q478 F479 K490 T493 A494 | I470-F481 HydrophobicContact CD1-CB 4.33Å; I470-F481 HydrophobicContact CD1-CD1 3.52Å; I470-F481 HydrophobicContact CD1-CD2 4.04Å; I470-F481 HydrophobicContact CD1-CE1 3.76Å; I470-F481 HydrophobicContact CD1-CE2 4.25Å; I470-F481 HydrophobicContact CD1-CG 3.69Å; I470-F481 HydrophobicContact CD1-CZ 4.13Å; I470-F481 HydrophobicContact CG1-CD1 4.24Å; I470-F481 HydrophobicContact CG1-CD2 3.86Å; I470-F481 HydrophobicContact CG1-CE1 4.3Å; I470-F481 HydrophobicContact CG1-CE2 3.93Å; I470-F481 HydrophobicContact CG1-CG 4.04Å; I470-F481 HydrophobicContact CG1-CZ 4.17Å; I470-F481 HydrophobicContact CG2-CB 4.18Å; I470-F481 HydrophobicContact CG2-CD2 4.11Å; I470-F481 HydrophobicContact CG2-CG 4.24Å; L475-F481 HydrophobicContact CD2-CB 3.57Å; Q478-F481 HydrophobicContact CB-CD2 3.49Å; Q478-F481 VanDerWaalsContact CB-CD2 3.49Å; Q478-F481 HydrophobicContact CB-CE2 3.79Å; Q478-F481 HydrophobicContact CB-CG 4.45Å; Q478-F481 HydrophobicContact CG-CD2 4.43Å; Q478-F481 HydrophobicContact CG-CE2 4.34Å; Q478-F481 WeakPolarHBondContact O-CB 3.24Å; Q478-F481 PolarHBondContact O-N 3.01Å; F479-F481 PolarHBondContact O-N 3.42Å; F481-K490 HydrophobicContact CE2-CB 4.36Å; F481-K490 HydrophobicContact CE2-CG 4.04Å; F481-K490 HydrophobicContact CZ-CB 3.95Å; F481-K490 HydrophobicContact CZ-CG 4.13Å; F481-T493 HydrophobicContact CD1-CG2 3.82Å; F481-T493 HydrophobicContact CE1-CG2 4.06Å; F481-A494 HydrophobicContact CE1-CB 3.79Å; F481-A494 HydrophobicContact CZ-CB 4.02Å | ||
| 482 | R | 96.4 | Very high | 96.3 | Very high | 45 Ų | 45 | 40 Ų | 40 | 17% | 0.17 | 20% | 0.197 | C | C | . | . | trans | -135.3 | 162.2 | 179.9 | -68.3 | -65.3 | 179.9 | -76.8 | 0.2 | 109.1 | D97 F479 H484 H485 | D97-R482 WeakPolarHBondContact O-CD 3.47Å; D97-R482 PolarHBondContact O-NE 2.97Å; F479-R482 PolarHBondContact O-NH1 3.41Å; R482-H484 WeakPolarHBondContact CB-CE1 3.43Å; R482-H484 PolarHBondContact O-N 2.81Å; R482-H484 VanDerWaalsContact O-N 3.12Å; R482-H485 PolarHBondContact N-ND1 3.05Å; R482-H485 VanDerWaalsContact O-CB 3.3Å; R482-H485 WeakPolarHBondContact O-CB 3.44Å; R482-H485 PolarHBondContact O-N 2.94Å | ||
| 483 | P | 94.4 | Very high | 96.6 | Very high | 75 Ų | 75 | 36.8 Ų | 36.8 | 49% | 0.487 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -52.4 | -35.9 | 179 | -29.6 | 36.3 | 0 | 0 | 0 | 114.5 | L475 H485 I486 | L475-P483 HydrophobicContact CD1-CB 4.41Å; L475-P483 HydrophobicContact CD1-CG 4.08Å; P483-H485 PolarHBondContact O-N 3.09Å; P483-I486 WeakPolarHBondContact O-CD1 3.29Å; P483-I486 VanDerWaalsContact O-CG1 3.3Å; P483-I486 WeakPolarHBondContact O-CG1 3.47Å; P483-I486 PolarHBondContact O-N 3Å |
| 484 | H | 95.4 | Very high | 96.9 | Very high | 130 Ų | 130 | 36.6 Ų | 36.6 | 60% | 0.602 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -74.5 | -3.3 | 177.9 | 65.3 | -96.3 | 0 | 0 | 0 | 114.4 | R482 | R482-H484 WeakPolarHBondContact CB-CE1 3.43Å; R482-H484 PolarHBondContact O-N 2.81Å; R482-H484 VanDerWaalsContact O-N 3.12Å |
| 485 | H | 96.9 | Very high | 97 | Very high | 31 Ų | 31 | 36.7 Ų | 36.7 | 14% | 0.144 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -93.5 | -5.9 | 174.3 | -63.2 | 151 | 0 | 0 | 0 | 113.6 | I470 R482 P483 Q487 K488 T493 | I470-H485 HydrophobicContact CD1-CB 3.76Å; R482-H485 PolarHBondContact N-ND1 3.05Å; R482-H485 VanDerWaalsContact O-CB 3.3Å; R482-H485 WeakPolarHBondContact O-CB 3.44Å; R482-H485 PolarHBondContact O-N 2.94Å; P483-H485 PolarHBondContact O-N 3.09Å; H485-Q487 PolarHBondContact O-N 3.4Å; H485-K488 VanDerWaalsContact O-CB 3.25Å; H485-K488 WeakPolarHBondContact O-CB 3.41Å; H485-K488 WeakPolarHBondContact O-CG 3.3Å; H485-K488 PolarHBondContact O-N 3.44Å; H485-T493 HydrophobicContact CB-CG2 3.97Å |
| 486 | I | 95.1 | Very high | 97.1 | Very high | 63 Ų | 63 | 37.6 Ų | 37.6 | 32% | 0.323 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 138.1 | 178.5 | -68.3 | 168.8 | 0 | 0 | 0 | 110.3 | K472 L475 P483 K488 | K472-I486 HydrophobicContact CB-CD1 4.01Å; K472-I486 HydrophobicContact CG-CD1 4.32Å; L475-I486 HydrophobicContact CD1-CD1 4.34Å; P483-I486 WeakPolarHBondContact O-CD1 3.29Å; P483-I486 VanDerWaalsContact O-CG1 3.3Å; P483-I486 WeakPolarHBondContact O-CG1 3.47Å; P483-I486 PolarHBondContact O-N 3Å; I486-K488 PolarHBondContact O-N 3.46Å |
| 487 | Q | 94.9 | Very high | 97.2 | Very high | 128 Ų | 128 | 38.2 Ų | 38.2 | 60% | 0.598 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 2.9 | -172.2 | -58.2 | -60.6 | -54.5 | 0 | 0 | 116.3 | I470 H485 | I470-Q487 PolarHBondContact O-N 2.96Å; H485-Q487 PolarHBondContact O-N 3.4Å |
| 488 | K | 97.8 | Very high | 97.3 | Very high | 95 Ų | 95 | 37.2 Ų | 37.2 | 41% | 0.413 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -84.5 | 155.4 | 167.8 | -58.8 | -171.8 | -174.5 | -178.6 | 0 | 110.8 | L469 I470 H485 I486 | L469-K488 CarbonylContact C-O 3.59Å; L469-K488 WeakPolarHBondContact CA-O 3.21Å; I470-K488 HydrophobicContact CD1-CB 4.45Å; I470-K488 WeakPolarHBondContact CG1-O 3.49Å; I470-K488 PolarHBondContact N-O 3.33Å; H485-K488 VanDerWaalsContact O-CB 3.25Å; H485-K488 WeakPolarHBondContact O-CB 3.41Å; H485-K488 WeakPolarHBondContact O-CG 3.3Å; H485-K488 PolarHBondContact O-N 3.44Å; I486-K488 PolarHBondContact O-N 3.46Å |
| 489 | P | 98.2 | Very high | 97.2 | Very high | 38 Ų | 38 | 40 Ų | 40 | 25% | 0.247 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -66.9 | 138.5 | 177 | -15.4 | 28.7 | 0 | 0 | 0 | 112.3 | L469 T492 T493 L511 | L469-P489 HydrophobicContact CD2-CB 4.21Å; L469-P489 HydrophobicContact CD2-CG 4.1Å; P489-T492 PolarHBondContact O-OG1 2.74Å; P489-T493 VanDerWaalsContact O-CB 3.32Å; P489-T493 WeakPolarHBondContact O-CB 3.36Å; P489-T493 PolarHBondContact O-N 2.84Å; P489-T493 PolarHBondContact O-OG1 2.86Å; P489-L511 HydrophobicContact CB-CD1 4.45Å; P489-L511 HydrophobicContact CB-CD2 3.4Å; P489-L511 HydrophobicContact CG-CD1 4.38Å; P489-L511 HydrophobicContact CG-CD2 4.18Å |
| 490 | K | 98.4 | Very high | 97.1 | Very high | 14 Ų | 14 | 44.9 Ų | 44.9 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.7 | -50.6 | -176.2 | -72.2 | -177.7 | -170.1 | 157 | 0 | 112.6 | C437 D466 D468 L469 I470 N474 F481 T493 A494 | C437-K490 HydrophobicContact CB-CB 4.09Å; D466-K490 HydrophobicContact CB-CB 4.28Å; D468-K490 HydrophobicContact CB-CD 3.88Å; D468-K490 HydrophobicContact CB-CG 4.46Å; D468-K490 VanDerWaalsContact CB-NZ 3.26Å; D468-K490 PolarHBondContact O-N 3.18Å; D468-K490 IonicContact OD2-NZ 3.68Å; D468-K490 PolarHBondContact OD2-NZ 3.33Å; L469-K490 VanDerWaalsContact O-CE 3.3Å; L469-K490 WeakPolarHBondContact O-CE 3.24Å; I470-K490 HydrophobicContact CG1-CB 4.48Å; I470-K490 HydrophobicContact CG1-CG 3.76Å; N474-K490 WeakPolarHBondContact OD1-CE 3.5Å; F481-K490 HydrophobicContact CE2-CB 4.36Å; F481-K490 HydrophobicContact CE2-CG 4.04Å; F481-K490 HydrophobicContact CZ-CB 3.95Å; F481-K490 HydrophobicContact CZ-CG 4.13Å; K490-T493 PolarHBondContact O-N 3.22Å; K490-A494 WeakPolarHBondContact O-CB 3.49Å; K490-A494 PolarHBondContact O-N 3.47Å |
| 491 | S | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.9 | -51.4 | -172.3 | 58.1 | 0 | 0 | 0 | 0 | 113 | T493 A494 A495 H510 L511 | S491-T493 PolarHBondContact O-N 3.09Å; S491-A494 PolarHBondContact O-N 3.31Å; S491-A495 WeakPolarHBondContact O-CB 3.42Å; S491-A495 PolarHBondContact O-N 3.29Å; S491-H510 VanDerWaalsContact CB-O 3.27Å; S491-H510 WeakPolarHBondContact CB-O 3.39Å; S491-H510 PolarHBondContact OG-O 2.98Å; S491-L511 WeakPolarHBondContact OG-CD2 3.49Å |
| 492 | T | 98.1 | Very high | 97 | Very high | 61 Ų | 61 | 44.6 Ų | 44.6 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.8 | -39.3 | 179.4 | 55 | 0 | 0 | 0 | 0 | 112.5 | P489 G496 A509 | P489-T492 PolarHBondContact O-OG1 2.74Å; T492-G496 PolarHBondContact O-N 2.93Å; T492-G496 VanDerWaalsContact O-N 3.11Å; T492-A509 HydrophobicContact CG2-CB 3.96Å |
| 493 | T | 98.5 | Very high | 97 | Very high | 16 Ų | 16 | 46.7 Ų | 46.7 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.6 | -42.7 | 176.6 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | I470 F481 H485 P489 K490 S491 G496 A497 | I470-T493 HydrophobicContact CD1-CG2 3.74Å; F481-T493 HydrophobicContact CD1-CG2 3.82Å; F481-T493 HydrophobicContact CE1-CG2 4.06Å; H485-T493 HydrophobicContact CB-CG2 3.97Å; P489-T493 VanDerWaalsContact O-CB 3.32Å; P489-T493 WeakPolarHBondContact O-CB 3.36Å; P489-T493 PolarHBondContact O-N 2.84Å; P489-T493 PolarHBondContact O-OG1 2.86Å; K490-T493 PolarHBondContact O-N 3.22Å; S491-T493 PolarHBondContact O-N 3.09Å; T493-G496 PolarHBondContact O-N 3.35Å; T493-A497 PolarHBondContact O-N 3.37Å |
| 494 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | C437 L445 L480 F481 K490 S491 A497 T498 | C437-A494 HydrophobicContact CB-CB 4.48Å; L445-A494 HydrophobicContact CD1-CB 3.71Å; L480-A494 HydrophobicContact CD1-CB 4.2Å; F481-A494 HydrophobicContact CE1-CB 3.79Å; F481-A494 HydrophobicContact CZ-CB 4.02Å; K490-A494 WeakPolarHBondContact O-CB 3.49Å; K490-A494 PolarHBondContact O-N 3.47Å; S491-A494 PolarHBondContact O-N 3.31Å; A494-A497 PolarHBondContact O-N 2.94Å; A494-T498 WeakPolarHBondContact O-CB 3.33Å; A494-T498 PolarHBondContact O-N 3.37Å; A494-T498 PolarHBondContact O-OG1 3.16Å |
| 495 | A | 97.9 | Very high | 97.1 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 7% | 0.066 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.6 | -48.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S491 T498 L499 V507 A509 | S491-A495 WeakPolarHBondContact O-CB 3.42Å; S491-A495 PolarHBondContact O-N 3.29Å; A495-T498 WeakPolarHBondContact O-CB 3.31Å; A495-T498 PolarHBondContact O-N 3.4Å; A495-L499 WeakPolarHBondContact O-CG 3.44Å; A495-L499 PolarHBondContact O-N 2.93Å; A495-V507 HydrophobicContact CB-CB 4.05Å; A495-V507 HydrophobicContact CB-CG1 3.55Å; A495-A509 HydrophobicContact CB-CB 3.93Å |
| 496 | G | 97.6 | Very high | 97.2 | Very high | 35 Ų | 35 | 42.8 Ų | 42.8 | 36% | 0.361 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.4 | -51.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T492 T493 T498 L499 | T492-G496 PolarHBondContact O-N 2.93Å; T492-G496 VanDerWaalsContact O-N 3.11Å; T493-G496 PolarHBondContact O-N 3.35Å; G496-T498 PolarHBondContact O-N 2.59Å; G496-L499 WeakPolarHBondContact O-CB 3.48Å; G496-L499 PolarHBondContact O-N 3.42Å; G496-L499 VanDerWaalsContact O-N 3.13Å |
| 497 | A | 97.2 | Very high | 97.3 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 13% | 0.132 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.6 | -27.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L480 T493 A494 D500 | L480-A497 HydrophobicContact CB-CB 3.99Å; L480-A497 HydrophobicContact CD2-CB 4.3Å; T493-A497 PolarHBondContact O-N 3.37Å; A494-A497 PolarHBondContact O-N 2.94Å; A497-D500 WeakPolarHBondContact O-CB 3.28Å; A497-D500 PolarHBondContact O-N 3.23Å |
| 498 | T | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.8 | -34 | 176.5 | -56 | 0 | 0 | 0 | 0 | 111.4 | L445 A449 A494 A495 G496 D500 I501 N502 L505 | L445-T498 HydrophobicContact CB-CG2 4.23Å; L445-T498 HydrophobicContact CD2-CG2 4.29Å; A449-T498 HydrophobicContact CB-CG2 3.88Å; A494-T498 WeakPolarHBondContact O-CB 3.33Å; A494-T498 PolarHBondContact O-N 3.37Å; A494-T498 PolarHBondContact O-OG1 3.16Å; A495-T498 WeakPolarHBondContact O-CB 3.31Å; A495-T498 PolarHBondContact O-N 3.4Å; G496-T498 PolarHBondContact O-N 2.59Å; T498-D500 PolarHBondContact O-N 3.44Å; T498-I501 WeakPolarHBondContact O-CB 3.12Å; T498-I501 PolarHBondContact O-N 3.07Å; T498-I501 VanDerWaalsContact O-N 3.07Å; T498-N502 PolarHBondContact O-N 2.92Å; T498-L505 HydrophobicContact CG2-CD2 4.15Å |
| 499 | L | 96.9 | Very high | 97.5 | Very high | 66 Ų | 66 | 34.3 Ų | 34.3 | 35% | 0.346 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.8 | -25.8 | 176.3 | -66 | 172.7 | 0 | 0 | 0 | 112.5 | A495 G496 I501 N502 P503 L505 | A495-L499 WeakPolarHBondContact O-CG 3.44Å; A495-L499 PolarHBondContact O-N 2.93Å; G496-L499 WeakPolarHBondContact O-CB 3.48Å; G496-L499 PolarHBondContact O-N 3.42Å; G496-L499 VanDerWaalsContact O-N 3.13Å; L499-I501 VanDerWaalsContact C-N 3.27Å; L499-I501 PolarHBondContact O-N 2.89Å; L499-N502 CarbonylContact O-C 3.58Å; L499-N502 VanDerWaalsContact O-C 3.25Å; L499-N502 PolarHBondContact O-N 3.42Å; L499-P503 WeakPolarHBondContact O-CA 3.25Å; L499-P503 WeakPolarHBondContact O-CD 3.43Å; L499-P503 WeakPolarHBondContact O-CG 3.33Å; L499-P503 VanDerWaalsContact O-N 3.09Å; L499-L505 HydrophobicContact CD2-CB 4.28Å; L499-L505 VanDerWaalsContact CD2-O 3.31Å; L499-L505 WeakPolarHBondContact CD2-O 3.47Å |
| 500 | D | 94.8 | Very high | 97.5 | Very high | 106 Ų | 106 | 34.2 Ų | 34.2 | 57% | 0.567 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -65.5 | -34.1 | 171 | -61.2 | -31.2 | 0 | 0 | 0 | 111.2 | H77 A497 T498 | H77-D500 PolarHBondContact CE1-O 2.69Å; H77-D500 PolarHBondContact ND1-O 3.33Å; A497-D500 WeakPolarHBondContact O-CB 3.28Å; A497-D500 PolarHBondContact O-N 3.23Å; T498-D500 PolarHBondContact O-N 3.44Å |
| 501 | I | 97.1 | Very high | 97.5 | Very high | 10 Ų | 10 | 37.8 Ų | 37.8 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.9 | -51.7 | 174.7 | -55.9 | 172.2 | 0 | 0 | 0 | 109.6 | F74 R411 K446 A449 L450 L480 T498 L499 | F74-I501 HydrophobicContact CB-CD1 4.13Å; F74-I501 HydrophobicContact CB-CG1 4.29Å; F74-I501 HydrophobicContact CB-CG2 3.86Å; R411-I501 PolarHBondContact NH1-O 2.91Å; R411-I501 PolarHBondContact NH2-O 2.78Å; K446-I501 HydrophobicContact CB-CD1 3.98Å; K446-I501 HydrophobicContact CG-CD1 4.16Å; A449-I501 HydrophobicContact CB-CB 3.95Å; A449-I501 HydrophobicContact CB-CG2 3.65Å; L450-I501 HydrophobicContact CD2-CG2 4.13Å; L480-I501 HydrophobicContact CD2-CD1 4.01Å; T498-I501 WeakPolarHBondContact O-CB 3.12Å; T498-I501 PolarHBondContact O-N 3.07Å; T498-I501 VanDerWaalsContact O-N 3.07Å; L499-I501 VanDerWaalsContact C-N 3.27Å; L499-I501 PolarHBondContact O-N 2.89Å |
| 502 | N | 97.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -141.2 | 102.8 | 178.8 | -177.2 | 1.4 | 0 | 0 | 0 | 112.7 | R411 Y412 A449 T498 L499 E504 L505 | R411-N502 VanDerWaalsContact NH1-CA 3.31Å; R411-N502 VanDerWaalsContact NH1-CB 3.25Å; R411-N502 PolarHBondContact NH1-OD1 2.91Å; Y412-N502 PolarHBondContact OH-ND2 3.14Å; A449-N502 HydrophobicContact CB-CB 3.97Å; A449-N502 PolarHBondContact O-ND2 2.81Å; T498-N502 PolarHBondContact O-N 2.92Å; L499-N502 CarbonylContact O-C 3.58Å; L499-N502 VanDerWaalsContact O-C 3.25Å; L499-N502 PolarHBondContact O-N 3.42Å; N502-E504 PolarHBondContact O-N 2.97Å; N502-E504 VanDerWaalsContact O-N 3.1Å; N502-E504 WeakPolarHBondContact OD1-CB 3.31Å; N502-E504 PolarHBondContact OD1-N 3.03Å; N502-E504 VanDerWaalsContact OD1-N 3.1Å; N502-L505 HydrophobicContact CB-CD1 3.56Å; N502-L505 VanDerWaalsContact ND2-CD1 3.26Å; N502-L505 WeakPolarHBondContact ND2-CD1 3.34Å; N502-L505 PolarHBondContact O-N 3.03Å | ||
| 503 | P | 96.1 | Very high | 97.3 | Very high | 89 Ų | 89 | 44.6 Ų | 44.6 | 58% | 0.578 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -10.4 | -178.3 | -23.6 | 33.2 | 0 | 0 | 0 | 115.4 | L499 | L499-P503 WeakPolarHBondContact O-CA 3.25Å; L499-P503 WeakPolarHBondContact O-CD 3.43Å; L499-P503 WeakPolarHBondContact O-CG 3.33Å; L499-P503 VanDerWaalsContact O-N 3.09Å |
| 504 | E | 96.3 | Very high | 97.2 | Very high | 66 Ų | 66 | 44.4 Ų | 44.4 | 31% | 0.308 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -9.9 | -178.6 | -57.8 | -163.5 | 144.6 | 0 | 0 | 113.7 | L455 A456 K457 N502 | L455-E504 WeakPolarHBondContact CA-O 3.31Å; L455-E504 HydrophobicContact CD2-CB 4.07Å; A456-E504 PolarHBondContact N-O 3.39Å; A456-E504 VanDerWaalsContact N-O 3.11Å; K457-E504 IonicContact NZ-OE1 2.65Å; K457-E504 PolarHBondContact NZ-OE1 3.12Å; N502-E504 PolarHBondContact O-N 2.97Å; N502-E504 VanDerWaalsContact O-N 3.1Å; N502-E504 WeakPolarHBondContact OD1-CB 3.31Å; N502-E504 PolarHBondContact OD1-N 3.03Å; N502-E504 VanDerWaalsContact OD1-N 3.1Å |
| 505 | L | 97 | Very high | 97 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -69.2 | 144.6 | 178 | -92.5 | 79.1 | 0 | 0 | 0 | 111.5 | F448 A449 L455 T498 L499 N502 V507 | F448-L505 HydrophobicContact CB-CD2 4.38Å; A449-L505 HydrophobicContact CB-CD1 4.35Å; A449-L505 HydrophobicContact CB-CD2 4.34Å; L455-L505 HydrophobicContact CD2-CD1 3.85Å; L455-L505 HydrophobicContact CD2-CG 4.25Å; T498-L505 HydrophobicContact CG2-CD2 4.15Å; L499-L505 HydrophobicContact CD2-CB 4.28Å; L499-L505 VanDerWaalsContact CD2-O 3.31Å; L499-L505 WeakPolarHBondContact CD2-O 3.47Å; N502-L505 HydrophobicContact CB-CD1 3.56Å; N502-L505 VanDerWaalsContact ND2-CD1 3.26Å; N502-L505 WeakPolarHBondContact ND2-CD1 3.34Å; N502-L505 PolarHBondContact O-N 3.03Å; L505-V507 HydrophobicContact CB-CG2 4.09Å; L505-V507 HydrophobicContact CD2-CG2 4.36Å |
| 506 | Q | 97.7 | Very high | 96.7 | Very high | 81 Ų | 81 | 49.7 Ų | 49.7 | 38% | 0.379 | 28% | 0.279 | S | S | . | . | trans | -102.2 | 109.1 | 166.1 | 179.3 | 60.5 | 25.1 | 0 | 0 | 108.5 | G454 A456 G460 E461 V462 | G454-Q506 PolarHBondContact O-N 3.31Å; A456-Q506 HydrophobicContact CB-CB 4.05Å; G460-Q506 WeakPolarHBondContact O-CB 3.14Å; E461-Q506 CarbonylContact C-O 3.59Å; E461-Q506 HydrophobicContact CB-CG 4.25Å; E461-Q506 HydrophobicContact CG-CG 4.16Å; V462-Q506 PolarHBondContact N-O 3.11Å | ||
| 507 | V | 98.1 | Very high | 96.5 | Very high | 23 Ų | 23 | 52.3 Ų | 52.3 | 14% | 0.139 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 118.8 | 179.1 | -169.5 | 0 | 0 | 0 | 0 | 110.2 | V462 V464 A495 L505 | V462-V507 CarbonylContact O-C 3.47Å; V462-V507 VanDerWaalsContact O-CA 3.31Å; V462-V507 WeakPolarHBondContact O-CA 3.37Å; V464-V507 HydrophobicContact CG1-CG1 4.14Å; V464-V507 HydrophobicContact CG2-CG1 4.02Å; A495-V507 HydrophobicContact CB-CB 4.05Å; A495-V507 HydrophobicContact CB-CG1 3.55Å; L505-V507 HydrophobicContact CB-CG2 4.09Å; L505-V507 HydrophobicContact CD2-CG2 4.36Å |
| 508 | D | 98 | Very high | 96.3 | Very high | 59 Ų | 59 | 52 Ų | 52 | 32% | 0.316 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 112 | 175 | -174.5 | 14.9 | 0 | 0 | 0 | 110 | E461 V462 C463 V464 H510 | E461-D508 HydrophobicContact CG-CB 4.43Å; V462-D508 PolarHBondContact O-N 3.2Å; C463-D508 CarbonylContact C-O 3.32Å; C463-D508 WeakPolarHBondContact CA-O 3.4Å; V464-D508 PolarHBondContact N-O 3.02Å; D508-H510 IonicContact OD1-CD2 3.39Å; D508-H510 IonicContact OD1-NE2 2.76Å; D508-H510 IonicContact OD2-CD2 2.66Å; D508-H510 IonicContact OD2-NE2 2.68Å; D508-H510 PolarHBondContact OD2-NE2 2.82Å; D508-H510 VanDerWaalsContact OD2-NE2 3.12Å |
| 509 | A | 98.3 | Very high | 96 | Very high | 26 Ų | 26 | 55.7 Ų | 55.7 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 114.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V464 T492 A495 | V464-A509 HydrophobicContact CG2-CB 3.82Å; T492-A509 HydrophobicContact CG2-CB 3.96Å; A495-A509 HydrophobicContact CB-CB 3.93Å |
| 510 | H | 98.4 | Very high | 95.7 | Very high | 36 Ų | 36 | 59 Ų | 59 | 17% | 0.167 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 162.9 | 179.6 | -67.9 | -160.7 | 0 | 0 | 0 | 112 | V464 T465 D466 S491 D508 Y522 | V464-H510 PolarHBondContact O-N 3.46Å; T465-H510 WeakPolarHBondContact CA-O 3.46Å; D466-H510 PolarHBondContact N-O 2.8Å; S491-H510 VanDerWaalsContact CB-O 3.27Å; S491-H510 WeakPolarHBondContact CB-O 3.39Å; S491-H510 PolarHBondContact OG-O 2.98Å; D508-H510 IonicContact OD1-CD2 3.39Å; D508-H510 IonicContact OD1-NE2 2.76Å; D508-H510 IonicContact OD2-CD2 2.66Å; D508-H510 IonicContact OD2-NE2 2.68Å; D508-H510 PolarHBondContact OD2-NE2 2.82Å; D508-H510 VanDerWaalsContact OD2-NE2 3.12Å; H510-Y522 VanDerWaalsContact CB-OH 3.29Å; H510-Y522 WeakPolarHBondContact CB-OH 3.33Å; H510-Y522 AromaticContact ND1-CE1 3.65Å; H510-Y522 AromaticContact ND1-CZ 3.75Å; H510-Y522 PolarHBondContact ND1-OH 3.27Å; H510-Y522 VanDerWaalsContact ND1-OH 3.16Å |
| 511 | L | 97.6 | Very high | 95.6 | Very high | 88 Ų | 88 | 56.5 Ų | 56.5 | 46% | 0.461 | 32% | 0.318 | S | S | . | . | trans | -116.2 | 12.8 | 178.1 | -58.4 | 178.8 | 0 | 0 | 0 | 112.5 | P467 P489 S491 | P467-L511 WeakPolarHBondContact CA-O 3.41Å; P489-L511 HydrophobicContact CB-CD1 4.45Å; P489-L511 HydrophobicContact CB-CD2 3.4Å; P489-L511 HydrophobicContact CG-CD1 4.38Å; P489-L511 HydrophobicContact CG-CD2 4.18Å; S491-L511 WeakPolarHBondContact OG-CD2 3.49Å | ||
| 512 | N | 96.6 | Very high | 95.6 | Very high | 64 Ų | 64 | 56.1 Ų | 56.1 | 34% | 0.342 | 32% | 0.316 | S | S | . | . | trans | -87.6 | 130.3 | -171.9 | -53.6 | 105.9 | 0 | 0 | 0 | 110.3 | T465 V514 Y522 | T465-N512 PolarHBondContact OG1-N 2.71Å; T465-N512 PolarHBondContact OG1-O 3.28Å; N512-V514 PolarHBondContact O-N 2.87Å; N512-Y522 HydrophobicContact CB-CE2 3.66Å | ||
| 513 | K | 96.1 | Very high | 95.4 | Very high | 140 Ų | 140 | 57.6 Ų | 57.6 | 61% | 0.609 | 33% | 0.327 | S | S | * | . | trans | -65.9 | 121.7 | 166.9 | -176.5 | 176.9 | -179.1 | 176.9 | 0 | 109.5 | P467 C515 S518 | P467-K513 HydrophobicContact CB-CB 4.39Å; P467-K513 HydrophobicContact CG-CB 4.19Å; K513-C515 HydrophobicContact CG-CB 4.48Å; K513-C515 PolarHBondContact O-N 3.07Å; K513-C515 VanDerWaalsContact O-N 3.12Å; K513-C515 PolarHBondContact O-SG 3.15Å; K513-C515 VanDerWaalsContact O-SG 3.33Å; K513-S518 WeakPolarHBondContact O-CB 3.33Å; K513-S518 PolarHBondContact O-OG 2.91Å; K513-S518 VanDerWaalsContact O-OG 3.05Å | ||
| 514 | V | 96.1 | Very high | 95.1 | Very high | 12 Ų | 12 | 55.2 Ų | 55.2 | 7% | 0.073 | 31% | 0.309 | C | S | . | . | trans | -71.9 | 105.8 | 175.9 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | F433 V435 T465 N512 Y522 Y545 V546 | F433-V514 HydrophobicContact CE1-CG2 4.49Å; F433-V514 HydrophobicContact CZ-CG2 3.82Å; V435-V514 HydrophobicContact CG1-CB 3.91Å; V435-V514 HydrophobicContact CG1-CG2 3.54Å; V435-V514 HydrophobicContact CG2-CG2 4.2Å; T465-V514 HydrophobicContact CG2-CG2 3.42Å; T465-V514 VanDerWaalsContact CG2-CG2 3.42Å; N512-V514 PolarHBondContact O-N 2.87Å; V514-Y522 HydrophobicContact CG2-CD2 4.1Å; V514-Y522 HydrophobicContact CG2-CE2 3.86Å; V514-Y545 HydrophobicContact CG1-CD1 3.95Å; V514-Y545 HydrophobicContact CG1-CE1 3.79Å; V514-V546 HydrophobicContact CG1-CG2 3.93Å | ||
| 515 | C | 94.5 | Very high | 94.9 | Very high | 31 Ų | 31 | 56.1 Ų | 56.1 | 21% | 0.209 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -161.8 | 171.7 | -177.3 | 65.9 | 0 | 0 | 0 | 0 | 110.2 | K513 A517 S518 Y545 | K513-C515 HydrophobicContact CG-CB 4.48Å; K513-C515 PolarHBondContact O-N 3.07Å; K513-C515 VanDerWaalsContact O-N 3.12Å; K513-C515 PolarHBondContact O-SG 3.15Å; K513-C515 VanDerWaalsContact O-SG 3.33Å; C515-A517 PolarHBondContact O-N 3.25Å; C515-S518 PolarHBondContact N-OG 3Å; C515-S518 PolarHBondContact O-N 3.28Å; C515-S518 PolarHBondContact O-OG 3.17Å; C515-Y545 VanDerWaalsContact C-CZ 3.42Å; C515-Y545 VanDerWaalsContact CA-CE1 3.41Å; C515-Y545 PolarHBondContact O-OH 2.84Å |
| 516 | P | 92.3 | Very high | 94.9 | Very high | 88 Ų | 88 | 57.2 Ų | 57.2 | 57% | 0.571 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -53 | -30.5 | 179.3 | -29.3 | 35.7 | 0 | 0 | 0 | 114.8 | S518 E519 Y545 | P516-S518 PolarHBondContact O-N 3.3Å; P516-E519 WeakPolarHBondContact O-CG 3.47Å; P516-Y545 HydrophobicContact CG-CD2 4.19Å; P516-Y545 HydrophobicContact CG-CE2 3.69Å |
| 517 | A | 92 | Very high | 94.8 | Very high | 91 Ų | 91 | 53.4 Ų | 53.4 | 75% | 0.752 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -71 | -14.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | C515 | C515-A517 PolarHBondContact O-N 3.25Š|
| 518 | S | 93.9 | Very high | 94.6 | Very high | 9 Ų | 9 | 55 Ų | 55 | 6% | 0.063 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -105.3 | 7.4 | -178 | 64.6 | 0 | 0 | 0 | 0 | 113.9 | K513 C515 P516 N520 V521 Y522 | K513-S518 WeakPolarHBondContact O-CB 3.33Å; K513-S518 PolarHBondContact O-OG 2.91Å; K513-S518 VanDerWaalsContact O-OG 3.05Å; C515-S518 PolarHBondContact N-OG 3Å; C515-S518 PolarHBondContact O-N 3.28Å; C515-S518 PolarHBondContact O-OG 3.17Å; P516-S518 PolarHBondContact O-N 3.3Å; S518-N520 PolarHBondContact O-N 2.91Å; S518-V521 PolarHBondContact O-N 2.97Å; S518-Y522 PolarHBondContact O-N 3.33Å |
| 519 | E | 91.6 | Very high | 94.4 | Very high | 78 Ų | 78 | 54.2 Ų | 54.2 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -15.6 | -178.3 | -71.3 | -178.2 | -172.7 | 0 | 0 | 113.9 | P516 V521 Y522 S523 Y545 | P516-E519 WeakPolarHBondContact O-CG 3.47Å; E519-V521 VanDerWaalsContact C-N 3.27Å; E519-Y522 CarbonylContact O-C 3.53Å; E519-S523 WeakPolarHBondContact O-CA 3.29Å; E519-S523 WeakPolarHBondContact O-CB 3.07Å; E519-S523 PolarHBondContact O-N 3.13Å; E519-S523 VanDerWaalsContact O-N 3.17Å; E519-Y545 VanDerWaalsContact CD-OH 3.3Å; E519-Y545 WeakPolarHBondContact CG-OH 3.45Å; E519-Y545 PolarHBondContact OE1-OH 3.35Å |
| 520 | N | 89.2 | Confident | 94.4 | Very high | 136 Ų | 136 | 53 Ų | 53 | 73% | 0.727 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -27.8 | 169.1 | 64.5 | -43.1 | 0 | 0 | 0 | 112.5 | S518 | S518-N520 PolarHBondContact O-N 2.91Š|
| 521 | V | 93.8 | Very high | 94.4 | Very high | 53 Ų | 53 | 55 Ų | 55 | 32% | 0.321 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -54.5 | 174.1 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | S518 E519 S523 | S518-V521 PolarHBondContact O-N 2.97Å; E519-V521 VanDerWaalsContact C-N 3.27Å; V521-S523 VanDerWaalsContact C-N 3.29Å; V521-S523 PolarHBondContact O-N 3.48Å |
| 522 | Y | 96.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -94.6 | 57.4 | -179 | -51.4 | -58.3 | 0 | 0 | 0 | 111.6 | F433 T465 H510 N512 V514 S518 E519 F526 Y527 R549 | F433-Y522 HydrophobicContact CE1-CD1 4.37Å; F433-Y522 HydrophobicContact CE2-CD1 4.15Å; F433-Y522 AromaticContact CE2-CE1 3.78Å; F433-Y522 HydrophobicContact CE2-CE1 3.78Å; F433-Y522 AromaticContact CZ-CD1 3.72Å; F433-Y522 HydrophobicContact CZ-CD1 3.72Å; F433-Y522 AromaticContact CZ-CE1 3.71Å; F433-Y522 HydrophobicContact CZ-CE1 3.71Å; F433-Y522 HydrophobicContact CZ-CG 4.13Å; T465-Y522 WeakPolarHBondContact CB-OH 3.3Å; T465-Y522 PolarHBondContact OG1-OH 3.02Å; H510-Y522 VanDerWaalsContact CB-OH 3.29Å; H510-Y522 WeakPolarHBondContact CB-OH 3.33Å; H510-Y522 AromaticContact ND1-CE1 3.65Å; H510-Y522 AromaticContact ND1-CZ 3.75Å; H510-Y522 PolarHBondContact ND1-OH 3.27Å; H510-Y522 VanDerWaalsContact ND1-OH 3.16Å; N512-Y522 HydrophobicContact CB-CE2 3.66Å; V514-Y522 HydrophobicContact CG2-CD2 4.1Å; V514-Y522 HydrophobicContact CG2-CE2 3.86Å; S518-Y522 PolarHBondContact O-N 3.33Å; E519-Y522 CarbonylContact O-C 3.53Å; Y522-F526 AromaticContact CD1-CD1 3.89Å; Y522-F526 HydrophobicContact CD1-CD1 3.89Å; Y522-F526 AromaticContact CD1-CE1 3.55Å; Y522-F526 HydrophobicContact CD1-CE1 3.55Å; Y522-F526 HydrophobicContact CD1-CE2 4.21Å; Y522-F526 HydrophobicContact CD1-CG 4.36Å; Y522-F526 AromaticContact CD1-CZ 3.7Å; Y522-F526 HydrophobicContact CD1-CZ 3.7Å; Y522-F526 HydrophobicContact CE1-CE1 4.24Å; Y522-F526 HydrophobicContact CE1-CE2 4.46Å; Y522-F526 AromaticContact CE1-CZ 3.98Å; Y522-F526 HydrophobicContact CE1-CZ 3.98Å; Y522-F526 HydrophobicContact CG-CE1 4.47Å; Y522-Y527 WeakPolarHBondContact O-CE2 3.3Å; Y522-R549 PolarHBondContact O-NH2 2.89Å |
| 523 | S | 93.4 | Very high | 94.5 | Very high | 32 Ų | 32 | 47.9 Ų | 47.9 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | trans | -71.3 | 172.3 | -179.7 | 68.1 | 0 | 0 | 0 | 0 | 112.2 | E519 V521 S525 F526 Y527 | E519-S523 WeakPolarHBondContact O-CA 3.29Å; E519-S523 WeakPolarHBondContact O-CB 3.07Å; E519-S523 PolarHBondContact O-N 3.13Å; E519-S523 VanDerWaalsContact O-N 3.17Å; V521-S523 VanDerWaalsContact C-N 3.29Å; V521-S523 PolarHBondContact O-N 3.48Å; S523-S525 PolarHBondContact O-N 3.37Å; S523-S525 PolarHBondContact OG-OG 2.93Å; S523-F526 WeakPolarHBondContact O-CB 3.06Å; S523-F526 PolarHBondContact O-N 2.97Å; S523-F526 PolarHBondContact OG-N 3.49Å; S523-Y527 WeakPolarHBondContact O-CD2 3.27Å; S523-Y527 PolarHBondContact O-N 3.49Å | ||
| 524 | D | 89.8 | Confident | 94.6 | Very high | 38 Ų | 38 | 41.2 Ų | 41.2 | 20% | 0.203 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.7 | -33.1 | 175.9 | -54.4 | -38.3 | 0 | 0 | 0 | 112.3 | F526 Y527 S528 R549 N553 Y992 | D524-F526 VanDerWaalsContact C-N 3.31Å; D524-Y527 PolarHBondContact O-N 2.79Å; D524-S528 WeakPolarHBondContact O-CB 3.41Å; D524-S528 PolarHBondContact O-N 2.99Å; D524-S528 PolarHBondContact O-OG 3.21Å; D524-R549 IonicContact OD1-CZ 3.36Å; D524-R549 IonicContact OD1-NH1 2.87Å; D524-R549 PolarHBondContact OD1-NH1 3.47Å; D524-R549 IonicContact OD1-NH2 3.36Å; D524-R549 PolarHBondContact OD1-NH2 3.26Å; D524-N553 WeakPolarHBondContact CA-OD1 3.3Å; D524-N553 VanDerWaalsContact CB-OD1 3.28Å; D524-N553 WeakPolarHBondContact CB-OD1 3.4Å; D524-N553 PolarHBondContact O-OD1 3.45Å; D524-Y992 WeakPolarHBondContact OD2-CE1 3.2Å; D524-Y992 PolarHBondContact OD2-OH 2.96Å |
| 525 | S | 91.8 | Very high | 94.7 | Very high | 86 Ų | 86 | 40.7 Ų | 40.7 | 60% | 0.601 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -66.9 | -35.8 | 174.9 | 58.7 | 0 | 0 | 0 | 0 | 111.5 | S523 S529 | S523-S525 PolarHBondContact O-N 3.37Å; S523-S525 PolarHBondContact OG-OG 2.93Å; S525-S529 WeakPolarHBondContact O-CB 3.17Å; S525-S529 PolarHBondContact O-N 2.95Å; S525-S529 VanDerWaalsContact O-N 3.13Å |
| 526 | F | 96.7 | Very high | 94.9 | Very high | 30 Ų | 30 | 39.7 Ų | 39.7 | 13% | 0.132 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.1 | -55.1 | 173.4 | 172.2 | -89.6 | 0 | 0 | 0 | 110.5 | F433 C463 Y522 S523 D524 S528 S529 M530 | F433-F526 HydrophobicContact CB-CE1 4.26Å; F433-F526 HydrophobicContact CB-CZ 4.44Å; F433-F526 AromaticContact CD1-CE1 3.67Å; F433-F526 HydrophobicContact CD1-CE1 3.67Å; F433-F526 HydrophobicContact CD1-CZ 4.37Å; F433-F526 AromaticContact CD2-CE1 3.89Å; F433-F526 HydrophobicContact CD2-CE1 3.89Å; F433-F526 AromaticContact CD2-CZ 3.75Å; F433-F526 HydrophobicContact CD2-CZ 3.75Å; F433-F526 AromaticContact CE1-CE1 3.83Å; F433-F526 HydrophobicContact CE1-CE1 3.83Å; F433-F526 HydrophobicContact CE2-CE1 4.06Å; F433-F526 AromaticContact CE2-CZ 3.98Å; F433-F526 HydrophobicContact CE2-CZ 3.98Å; F433-F526 AromaticContact CG-CE1 3.69Å; F433-F526 HydrophobicContact CG-CE1 3.69Å; F433-F526 AromaticContact CG-CZ 3.95Å; F433-F526 HydrophobicContact CG-CZ 3.95Å; F433-F526 HydrophobicContact CZ-CE1 4.01Å; F433-F526 HydrophobicContact CZ-CZ 4.37Å; C463-F526 HydrophobicContact CB-CZ 4.31Å; Y522-F526 AromaticContact CD1-CD1 3.89Å; Y522-F526 HydrophobicContact CD1-CD1 3.89Å; Y522-F526 AromaticContact CD1-CE1 3.55Å; Y522-F526 HydrophobicContact CD1-CE1 3.55Å; Y522-F526 HydrophobicContact CD1-CE2 4.21Å; Y522-F526 HydrophobicContact CD1-CG 4.36Å; Y522-F526 AromaticContact CD1-CZ 3.7Å; Y522-F526 HydrophobicContact CD1-CZ 3.7Å; Y522-F526 HydrophobicContact CE1-CE1 4.24Å; Y522-F526 HydrophobicContact CE1-CE2 4.46Å; Y522-F526 AromaticContact CE1-CZ 3.98Å; Y522-F526 HydrophobicContact CE1-CZ 3.98Å; Y522-F526 HydrophobicContact CG-CE1 4.47Å; S523-F526 WeakPolarHBondContact O-CB 3.06Å; S523-F526 PolarHBondContact O-N 2.97Å; S523-F526 PolarHBondContact OG-N 3.49Å; D524-F526 VanDerWaalsContact C-N 3.31Å; F526-S528 VanDerWaalsContact C-N 3.3Å; F526-S528 PolarHBondContact O-N 3.25Å; F526-S529 WeakPolarHBondContact O-CB 3.32Å; F526-S529 PolarHBondContact O-N 2.76Å; F526-S529 PolarHBondContact O-OG 3.41Å; F526-M530 HydrophobicContact CD1-CE 4.46Å; F526-M530 HydrophobicContact CD2-CE 3.92Å; F526-M530 HydrophobicContact CE1-CE 3.86Å; F526-M530 HydrophobicContact CE1-CG 4.39Å; F526-M530 HydrophobicContact CE2-CE 3.25Å; F526-M530 HydrophobicContact CG-CE 4.49Å; F526-M530 HydrophobicContact CZ-CE 3.22Å; F526-M530 PolarHBondContact O-N 3.44Å |
| 527 | Y | 96.3 | Very high | 95 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.9 | -42.3 | 178.4 | -86.5 | -90.4 | 0 | 0 | 0 | 112 | F433 Y522 S523 D524 S529 M530 V533 R549 R555 | F433-Y527 HydrophobicContact CD1-CE1 4.17Å; F433-Y527 HydrophobicContact CE1-CE1 4.3Å; F433-Y527 AromaticContact CE1-CZ 3.94Å; Y522-Y527 WeakPolarHBondContact O-CE2 3.3Å; S523-Y527 WeakPolarHBondContact O-CD2 3.27Å; S523-Y527 PolarHBondContact O-N 3.49Å; D524-Y527 PolarHBondContact O-N 2.79Å; Y527-S529 PolarHBondContact O-N 3.35Å; Y527-M530 WeakPolarHBondContact O-CB 3.49Å; Y527-M530 PolarHBondContact O-N 3.34Å; Y527-M530 VanDerWaalsContact O-N 3.09Å; Y527-V533 HydrophobicContact CD1-CG2 4.15Å; Y527-V533 HydrophobicContact CE1-CG2 4.16Å; Y527-R549 HydrophobicContact CD1-CB 4.32Å; Y527-R549 HydrophobicContact CD2-CB 4.48Å; Y527-R549 HydrophobicContact CE1-CB 3.74Å; Y527-R549 HydrophobicContact CE2-CB 3.92Å; Y527-R549 HydrophobicContact CE2-CG 4.28Å; Y527-R555 VanDerWaalsContact O-CD 3.29Å; Y527-R555 WeakPolarHBondContact O-CD 3.26Å; Y527-R555 WeakPolarHBondContact O-CG 3.22Å |
| 528 | S | 93.2 | Very high | 94.9 | Very high | 55 Ų | 55 | 37.6 Ų | 37.6 | 39% | 0.385 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.4 | -24.2 | 178.5 | -62.6 | 0 | 0 | 0 | 0 | 113.3 | D524 F526 M530 R555 | D524-S528 WeakPolarHBondContact O-CB 3.41Å; D524-S528 PolarHBondContact O-N 2.99Å; D524-S528 PolarHBondContact O-OG 3.21Å; F526-S528 VanDerWaalsContact C-N 3.3Å; F526-S528 PolarHBondContact O-N 3.25Å; S528-M530 VanDerWaalsContact C-N 3.32Å; S528-R555 PolarHBondContact O-NH1 3.08Å; S528-R555 PolarHBondContact O-NH2 3.29Å; S528-R555 VanDerWaalsContact O-NH2 3.11Å |
| 529 | S | 95.8 | Very high | 94.7 | Very high | 44 Ų | 44 | 40.1 Ų | 40.1 | 31% | 0.308 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -7.1 | 177.1 | 83.4 | 0 | 0 | 0 | 0 | 113.9 | R431 S525 F526 Y527 | R431-S529 PolarHBondContact NH1-O 3.38Å; R431-S529 PolarHBondContact NH1-OG 2.91Å; S525-S529 WeakPolarHBondContact O-CB 3.17Å; S525-S529 PolarHBondContact O-N 2.95Å; S525-S529 VanDerWaalsContact O-N 3.13Å; F526-S529 WeakPolarHBondContact O-CB 3.32Å; F526-S529 PolarHBondContact O-N 2.76Å; F526-S529 PolarHBondContact O-OG 3.41Å; Y527-S529 PolarHBondContact O-N 3.35Å |
| 530 | M | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -93.8 | 145.6 | 177.9 | -60.6 | -59.9 | 175.7 | 0 | 0 | 111 | R431 F433 C463 F526 Y527 S528 R555 | R431-M530 HydrophobicContact CB-SD 3.95Å; F433-M530 HydrophobicContact CB-CE 4.39Å; F433-M530 HydrophobicContact CB-CG 3.9Å; F433-M530 HydrophobicContact CB-SD 4.2Å; C463-M530 HydrophobicContact CB-CE 3.88Å; F526-M530 HydrophobicContact CD1-CE 4.46Å; F526-M530 HydrophobicContact CD2-CE 3.92Å; F526-M530 HydrophobicContact CE1-CE 3.86Å; F526-M530 HydrophobicContact CE1-CG 4.39Å; F526-M530 HydrophobicContact CE2-CE 3.25Å; F526-M530 HydrophobicContact CG-CE 4.49Å; F526-M530 HydrophobicContact CZ-CE 3.22Å; F526-M530 PolarHBondContact O-N 3.44Å; Y527-M530 WeakPolarHBondContact O-CB 3.49Å; Y527-M530 PolarHBondContact O-N 3.34Å; Y527-M530 VanDerWaalsContact O-N 3.09Å; S528-M530 VanDerWaalsContact C-N 3.32Å; M530-R555 VanDerWaalsContact O-CD 3.22Å; M530-R555 WeakPolarHBondContact O-CD 3.41Å; M530-R555 PolarHBondContact O-NH1 3.29Å | ||
| 531 | N | 97.9 | Very high | 94.7 | Very high | 78 Ų | 78 | 40.5 Ų | 40.5 | 42% | 0.417 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -83 | -38.4 | 174.3 | -61.8 | 107.5 | 0 | 0 | 0 | 111.8 | L430 R431 P556 | L430-N531 HydrophobicContact CD2-CB 3.82Å; R431-N531 PolarHBondContact N-OD1 3.3Å; R431-N531 PolarHBondContact O-N 3.12Å; N531-P556 WeakPolarHBondContact O-CD 3.35Å |
| 532 | V | 98.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 147.3 | -176.7 | 59.4 | 0 | 0 | 0 | 0 | 110.5 | V432 F433 V534 P556 L558 L880 | V432-V532 HydrophobicContact CB-CG1 4.36Å; V432-V532 HydrophobicContact CG1-CG1 4.24Å; V432-V532 HydrophobicContact CG2-CG1 3.72Å; F433-V532 PolarHBondContact N-O 3.19Å; V532-V534 HydrophobicContact CG2-CG2 4.45Å; V532-P556 HydrophobicContact CG2-CB 4.25Å; V532-L558 HydrophobicContact CG2-CD1 4.22Å; V532-L558 HydrophobicContact CG2-CG 4.05Å; V532-L880 HydrophobicContact CG1-CD1 3.85Å; V532-L880 HydrophobicContact CG2-CD1 4.22Å |
| 533 | V | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 137.7 | 172.9 | -175.6 | 0 | 0 | 0 | 0 | 109 | F433 Y527 V546 R555 P556 L557 L558 | F433-V533 HydrophobicContact CB-CG2 4.47Å; F433-V533 HydrophobicContact CD1-CG1 4.19Å; F433-V533 CarbonylContact O-C 3.49Å; F433-V533 WeakPolarHBondContact O-CA 3.44Å; Y527-V533 HydrophobicContact CD1-CG2 4.15Å; Y527-V533 HydrophobicContact CE1-CG2 4.16Å; V533-V546 HydrophobicContact CG1-CG1 3.68Å; V533-R555 HydrophobicContact CG2-CB 4.3Å; V533-P556 PolarHBondContact N-O 2.85Å; V533-L557 HydrophobicContact CB-CD1 4.21Å; V533-L557 HydrophobicContact CG1-CD1 4.04Å; V533-L557 WeakPolarHBondContact O-CA 3.44Å; V533-L558 PolarHBondContact O-N 3.42Å |
| 534 | V | 98.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130 | 178 | -180 | 0 | 0 | 0 | 0 | 108.9 | V432 F433 M434 V435 M444 F448 V532 L558 | V432-V534 HydrophobicContact CG1-CG2 4.08Å; F433-V534 PolarHBondContact O-N 3.47Å; M434-V534 CarbonylContact C-O 3.59Å; M434-V534 VanDerWaalsContact CA-O 3.27Å; M434-V534 WeakPolarHBondContact CA-O 3.45Å; M434-V534 HydrophobicContact CG-CB 4.3Å; M434-V534 HydrophobicContact CG-CG1 4.38Å; V435-V534 PolarHBondContact N-O 3.05Å; M444-V534 HydrophobicContact CE-CG1 4.08Å; M444-V534 HydrophobicContact CG-CG1 4.41Å; F448-V534 HydrophobicContact CZ-CG2 4.14Å; V532-V534 HydrophobicContact CG2-CG2 4.45Å; V534-L558 WeakPolarHBondContact CA-O 3.21Å; V534-L558 HydrophobicContact CG2-CB 4.32Å; V534-L558 HydrophobicContact CG2-CD1 4.21Å; V534-L558 HydrophobicContact CG2-CG 4.47Å |
| 535 | T | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 135.5 | 177.1 | 44.6 | 0 | 0 | 0 | 0 | 111.1 | L537 V546 L557 L558 D559 | T535-L537 HydrophobicContact CG2-CD1 3.73Å; T535-L537 HydrophobicContact CG2-CG 4.35Å; T535-V546 HydrophobicContact CG2-CB 4.08Å; T535-V546 HydrophobicContact CG2-CG1 3.71Å; T535-V546 HydrophobicContact CG2-CG2 4.42Å; T535-L557 HydrophobicContact CG2-CD1 3.76Å; T535-L558 PolarHBondContact N-O 2.93Å; T535-L558 PolarHBondContact OG1-O 3.37Å; T535-D559 WeakPolarHBondContact CB-OD1 3.32Å; T535-D559 VanDerWaalsContact OG1-CA 3.24Å; T535-D559 WeakPolarHBondContact OG1-CA 3.38Å; T535-D559 WeakPolarHBondContact OG1-CB 3.27Å; T535-D559 VanDerWaalsContact OG1-CG 3.23Å; T535-D559 PolarHBondContact OG1-OD1 3.39Å |
| 536 | A | 97.2 | Very high | 95.3 | Very high | 11 Ų | 11 | 38.1 Ų | 38.1 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | trans | -129.9 | 48.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | V435 G436 I440 | V435-A536 CarbonylContact O-C 3.48Å; V435-A536 PolarHBondContact O-N 3.08Å; G436-A536 WeakPolarHBondContact O-CB 3.49Å; I440-A536 HydrophobicContact CB-CB 3.96Å; I440-A536 HydrophobicContact CG2-CB 3.9Å | ||
| 537 | L | 95.3 | Very high | 95.3 | Very high | 24 Ų | 24 | 36.8 Ų | 36.8 | 13% | 0.126 | 19% | 0.194 | C | C | . | . | trans | -92.8 | 162.1 | -168.5 | -68.1 | 171.1 | 0 | 0 | 0 | 112.7 | V435 T535 A542 R543 V546 | V435-L537 HydrophobicContact CB-CD2 4.47Å; V435-L537 HydrophobicContact CG1-CD2 3.79Å; V435-L537 HydrophobicContact CG1-CG 4.41Å; T535-L537 HydrophobicContact CG2-CD1 3.73Å; T535-L537 HydrophobicContact CG2-CG 4.35Å; L537-A542 HydrophobicContact CD1-CB 3.77Å; L537-A542 HydrophobicContact CD2-CB 3.99Å; L537-A542 HydrophobicContact CG-CB 4.42Å; L537-R543 HydrophobicContact CB-CG 4.06Å; L537-R543 HydrophobicContact CD1-CB 4.43Å; L537-R543 HydrophobicContact CD1-CG 3.86Å; L537-R543 VanDerWaalsContact O-CZ 3.32Å; L537-R543 PolarHBondContact O-NH1 3Å; L537-R543 PolarHBondContact O-NH2 3.32Å; L537-V546 HydrophobicContact CD1-CG2 4.32Å | ||
| 538 | D | 90.2 | Very high | 95.3 | Very high | 110 Ų | 110 | 39.2 Ų | 39.2 | 59% | 0.588 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -116.1 | 0.4 | 179.8 | 65.8 | -7.4 | 0 | 0 | 0 | 113.6 | ||
| 539 | N | 88.3 | Confident | 95.4 | Very high | 62 Ų | 62 | 37.6 Ų | 37.6 | 33% | 0.332 | 20% | 0.197 | S | C | . | . | trans | -138.2 | 147.6 | -177.9 | 68.4 | 91 | 0 | 0 | 0 | 111.9 | A542 R543 | N539-A542 WeakPolarHBondContact OD1-CB 3.46Å; N539-A542 PolarHBondContact OD1-N 3.5Å; N539-R543 PolarHBondContact O-N 3.15Å; N539-R543 PolarHBondContact O-NH1 2.86Å | ||
| 540 | V | 90.1 | Very high | 95.5 | Very high | 58 Ų | 58 | 35.5 Ų | 35.5 | 35% | 0.352 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -70.5 | -36.3 | -176.3 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | A542 R543 R544 Y580 | V540-A542 PolarHBondContact O-N 3.32Å; V540-R543 WeakPolarHBondContact O-CB 3.36Å; V540-R543 PolarHBondContact O-N 3.01Å; V540-R544 HydrophobicContact CG1-CG 4.11Å; V540-R544 WeakPolarHBondContact O-CG 3.33Å; V540-R544 PolarHBondContact O-N 2.75Å; V540-Y580 HydrophobicContact CG1-CE1 4.39Å |
| 541 | E | 91 | Very high | 95.3 | Very high | 164 Ų | 164 | 36.7 Ų | 36.7 | 77% | 0.766 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -61.4 | -46.3 | -177.5 | -172.3 | -178.2 | -178.6 | 0 | 0 | 112.2 | R543 R544 Y545 | E541-R543 VanDerWaalsContact C-N 3.35Å; E541-R543 PolarHBondContact O-N 3.44Å; E541-R544 PolarHBondContact O-N 2.94Å; E541-Y545 PolarHBondContact O-N 2.75Å |
| 542 | A | 93.8 | Very high | 95 | Very high | 15 Ų | 15 | 34.7 Ų | 34.7 | 12% | 0.124 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.9 | -39.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L537 N539 V540 Y545 V546 | L537-A542 HydrophobicContact CD1-CB 3.77Å; L537-A542 HydrophobicContact CD2-CB 3.99Å; L537-A542 HydrophobicContact CG-CB 4.42Å; N539-A542 WeakPolarHBondContact OD1-CB 3.46Å; N539-A542 PolarHBondContact OD1-N 3.5Å; V540-A542 PolarHBondContact O-N 3.32Å; A542-Y545 PolarHBondContact O-N 3.49Å; A542-V546 WeakPolarHBondContact O-CG2 3.18Å; A542-V546 PolarHBondContact O-N 3.42Å |
| 543 | R | 96 | Very high | 94.8 | Very high | 19 Ų | 19 | 35 Ų | 35 | 7% | 0.072 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.3 | -49.9 | 175 | -73.5 | -176.4 | 173 | 76.8 | 0 | 111.2 | L537 N539 V540 E541 Y545 V546 D547 D559 S560 Y580 | L537-R543 HydrophobicContact CB-CG 4.06Å; L537-R543 HydrophobicContact CD1-CB 4.43Å; L537-R543 HydrophobicContact CD1-CG 3.86Å; L537-R543 VanDerWaalsContact O-CZ 3.32Å; L537-R543 PolarHBondContact O-NH1 3Å; L537-R543 PolarHBondContact O-NH2 3.32Å; N539-R543 PolarHBondContact O-N 3.15Å; N539-R543 PolarHBondContact O-NH1 2.86Å; V540-R543 WeakPolarHBondContact O-CB 3.36Å; V540-R543 PolarHBondContact O-N 3.01Å; E541-R543 VanDerWaalsContact C-N 3.35Å; E541-R543 PolarHBondContact O-N 3.44Å; R543-Y545 VanDerWaalsContact C-N 3.29Å; R543-Y545 PolarHBondContact O-N 2.83Å; R543-V546 PolarHBondContact O-N 3.48Å; R543-D547 WeakPolarHBondContact O-CB 3.38Å; R543-D547 PolarHBondContact O-N 3.26Å; R543-D559 WeakPolarHBondContact CD-OD1 3.42Å; R543-D559 WeakPolarHBondContact CG-OD1 2.9Å; R543-D559 IonicContact NE-OD1 3.28Å; R543-D559 PolarHBondContact NE-OD1 2.72Å; R543-D559 IonicContact NE-OD2 3.45Å; R543-D559 PolarHBondContact NE-OD2 2.94Å; R543-D559 VanDerWaalsContact NE-OD2 3.13Å; R543-S560 PolarHBondContact NH2-O 3.33Å; R543-Y580 HydrophobicContact CB-CD1 4.14Å; R543-Y580 HydrophobicContact CB-CE1 3.66Å |
| 544 | R | 94.8 | Very high | 94.6 | Very high | 95 Ų | 95 | 40 Ų | 40 | 36% | 0.358 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.1 | -40.4 | 177.7 | -68.5 | -166.7 | 176 | 157.5 | 2.9 | 112.4 | V540 E541 S548 Y580 N581 | V540-R544 HydrophobicContact CG1-CG 4.11Å; V540-R544 WeakPolarHBondContact O-CG 3.33Å; V540-R544 PolarHBondContact O-N 2.75Å; E541-R544 PolarHBondContact O-N 2.94Å; R544-S548 WeakPolarHBondContact O-CB 3.47Å; R544-S548 PolarHBondContact O-N 3.42Å; R544-Y580 HydrophobicContact CG-CD1 4.07Å; R544-Y580 HydrophobicContact CG-CE1 3.83Å; R544-N581 VanDerWaalsContact CB-OD1 3.22Å; R544-N581 WeakPolarHBondContact CB-OD1 3.42Å; R544-N581 WeakPolarHBondContact CD-OD1 3.47Å; R544-N581 WeakPolarHBondContact CG-OD1 3.44Å; R544-N581 PolarHBondContact O-ND2 3.41Å |
| 545 | Y | 96.1 | Very high | 94.5 | Very high | 32 Ų | 32 | 42.8 Ų | 42.8 | 13% | 0.125 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.6 | -50.5 | 176.5 | -180 | -107.2 | 0 | 0 | 0 | 111.2 | V514 C515 P516 E519 E541 A542 R543 D547 S548 R549 | V514-Y545 HydrophobicContact CG1-CD1 3.95Å; V514-Y545 HydrophobicContact CG1-CE1 3.79Å; C515-Y545 VanDerWaalsContact C-CZ 3.42Å; C515-Y545 VanDerWaalsContact CA-CE1 3.41Å; C515-Y545 PolarHBondContact O-OH 2.84Å; P516-Y545 HydrophobicContact CG-CD2 4.19Å; P516-Y545 HydrophobicContact CG-CE2 3.69Å; E519-Y545 VanDerWaalsContact CD-OH 3.3Å; E519-Y545 WeakPolarHBondContact CG-OH 3.45Å; E519-Y545 PolarHBondContact OE1-OH 3.35Å; E541-Y545 PolarHBondContact O-N 2.75Å; A542-Y545 PolarHBondContact O-N 3.49Å; R543-Y545 VanDerWaalsContact C-N 3.29Å; R543-Y545 PolarHBondContact O-N 2.83Å; Y545-D547 PolarHBondContact O-N 2.66Å; Y545-S548 PolarHBondContact O-N 3.23Å; Y545-S548 PolarHBondContact O-OG 2.77Å; Y545-R549 HydrophobicContact CE1-CG 4.09Å; Y545-R549 HydrophobicContact CE2-CG 4.22Å; Y545-R549 WeakPolarHBondContact O-CG 3.21Å; Y545-R549 PolarHBondContact O-N 2.82Å; Y545-R549 VanDerWaalsContact O-N 3.1Å |
| 546 | V | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | 178.4 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | V435 V514 V533 T535 L537 A542 R543 S548 R549 C550 L557 | V435-V546 HydrophobicContact CB-CG2 4.49Å; V435-V546 HydrophobicContact CG1-CG2 4.36Å; V435-V546 HydrophobicContact CG2-CG1 4.47Å; V435-V546 HydrophobicContact CG2-CG2 4.13Å; V514-V546 HydrophobicContact CG1-CG2 3.93Å; V533-V546 HydrophobicContact CG1-CG1 3.68Å; T535-V546 HydrophobicContact CG2-CB 4.08Å; T535-V546 HydrophobicContact CG2-CG1 3.71Å; T535-V546 HydrophobicContact CG2-CG2 4.42Å; L537-V546 HydrophobicContact CD1-CG2 4.32Å; A542-V546 WeakPolarHBondContact O-CG2 3.18Å; A542-V546 PolarHBondContact O-N 3.42Å; R543-V546 PolarHBondContact O-N 3.48Å; V546-S548 PolarHBondContact O-N 2.8Å; V546-R549 PolarHBondContact O-N 3.16Å; V546-R549 VanDerWaalsContact O-N 3.16Å; V546-C550 PolarHBondContact O-N 3.08Å; V546-C550 PolarHBondContact O-SG 3.07Å; V546-L557 HydrophobicContact CG1-CD1 4.24Å |
| 547 | D | 97.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.7 | -48.6 | 173.6 | 179.6 | 73.2 | 0 | 0 | 0 | 111.6 | R543 Y545 R549 C550 V551 L557 S579 Y580 N581 | R543-D547 WeakPolarHBondContact O-CB 3.38Å; R543-D547 PolarHBondContact O-N 3.26Å; Y545-D547 PolarHBondContact O-N 2.66Å; D547-R549 VanDerWaalsContact C-N 3.26Å; D547-R549 PolarHBondContact O-N 2.89Å; D547-C550 WeakPolarHBondContact O-CB 3.41Å; D547-C550 PolarHBondContact O-N 3.45Å; D547-V551 WeakPolarHBondContact O-CG2 3.49Å; D547-V551 PolarHBondContact O-N 3.48Å; D547-L557 HydrophobicContact CB-CD2 3.91Å; D547-S579 VanDerWaalsContact OD1-CB 3.28Å; D547-S579 WeakPolarHBondContact OD1-CB 3.39Å; D547-S579 WeakPolarHBondContact OD2-CB 3.4Å; D547-S579 PolarHBondContact OD2-OG 2.91Å; D547-Y580 WeakPolarHBondContact OD1-CB 3.32Å; D547-Y580 PolarHBondContact OD1-N 2.84Å; D547-N581 WeakPolarHBondContact OD2-CB 3.31Å; D547-N581 VanDerWaalsContact OD2-CG 3.28Å; D547-N581 PolarHBondContact OD2-N 3.05Å; D547-N581 VanDerWaalsContact OD2-N 3.14Å; D547-N581 PolarHBondContact OD2-ND2 3.12Å |
| 548 | S | 95 | Very high | 94.7 | Very high | 52 Ų | 52 | 42.1 Ų | 42.1 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.2 | -36 | 178.8 | 76.2 | 0 | 0 | 0 | 0 | 112.9 | R544 Y545 V546 S552 | R544-S548 WeakPolarHBondContact O-CB 3.47Å; R544-S548 PolarHBondContact O-N 3.42Å; Y545-S548 PolarHBondContact O-N 3.23Å; Y545-S548 PolarHBondContact O-OG 2.77Å; V546-S548 PolarHBondContact O-N 2.8Å; S548-S552 WeakPolarHBondContact O-CB 3.28Å; S548-S552 PolarHBondContact O-N 3.09Å; S548-S552 VanDerWaalsContact O-N 3.09Å |
| 549 | R | 95.4 | Very high | 95.1 | Very high | 22 Ų | 22 | 36.9 Ų | 36.9 | 8% | 0.083 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.3 | -37.7 | 175.7 | -60.6 | -65.9 | -71.1 | 147 | 5 | 111.3 | Y522 D524 Y527 Y545 V546 D547 N553 | Y522-R549 PolarHBondContact O-NH2 2.89Å; D524-R549 IonicContact OD1-CZ 3.36Å; D524-R549 IonicContact OD1-NH1 2.87Å; D524-R549 PolarHBondContact OD1-NH1 3.47Å; D524-R549 IonicContact OD1-NH2 3.36Å; D524-R549 PolarHBondContact OD1-NH2 3.26Å; Y527-R549 HydrophobicContact CD1-CB 4.32Å; Y527-R549 HydrophobicContact CD2-CB 4.48Å; Y527-R549 HydrophobicContact CE1-CB 3.74Å; Y527-R549 HydrophobicContact CE2-CB 3.92Å; Y527-R549 HydrophobicContact CE2-CG 4.28Å; Y545-R549 HydrophobicContact CE1-CG 4.09Å; Y545-R549 HydrophobicContact CE2-CG 4.22Å; Y545-R549 WeakPolarHBondContact O-CG 3.21Å; Y545-R549 PolarHBondContact O-N 2.82Å; Y545-R549 VanDerWaalsContact O-N 3.1Å; V546-R549 PolarHBondContact O-N 3.16Å; V546-R549 VanDerWaalsContact O-N 3.16Å; D547-R549 VanDerWaalsContact C-N 3.26Å; D547-R549 PolarHBondContact O-N 2.89Å; R549-N553 WeakPolarHBondContact O-CB 3.36Å; R549-N553 PolarHBondContact O-N 2.86Å; R549-N553 VanDerWaalsContact O-N 3.13Å; R549-N553 PolarHBondContact O-ND2 2.83Å |
| 550 | C | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.6 | -44.6 | 175.7 | -64.5 | 0 | 0 | 0 | 0 | 111.7 | V546 D547 N553 Q554 R555 L557 | V546-C550 PolarHBondContact O-N 3.08Å; V546-C550 PolarHBondContact O-SG 3.07Å; D547-C550 WeakPolarHBondContact O-CB 3.41Å; D547-C550 PolarHBondContact O-N 3.45Å; C550-N553 CarbonylContact O-C 3.59Å; C550-N553 PolarHBondContact O-N 3.49Å; C550-Q554 WeakPolarHBondContact O-CA 3.35Å; C550-Q554 PolarHBondContact O-N 3.33Å; C550-R555 HydrophobicContact CB-CB 4.44Å; C550-R555 PolarHBondContact O-N 3.36Å; C550-L557 HydrophobicContact CB-CB 4.19Å |
| 551 | V | 95.1 | Very high | 95.8 | Very high | 25 Ų | 25 | 31.3 Ų | 31.3 | 15% | 0.152 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.5 | -49.9 | 175.1 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | D547 N553 Q554 I925 W926 | D547-V551 WeakPolarHBondContact O-CG2 3.49Å; D547-V551 PolarHBondContact O-N 3.48Å; V551-N553 PolarHBondContact O-N 2.65Å; V551-Q554 PolarHBondContact O-N 2.96Å; V551-I925 WeakPolarHBondContact CG1-O 3.48Å; V551-W926 HydrophobicContact CB-CE3 4.41Å; V551-W926 HydrophobicContact CB-CZ3 4.23Å; V551-W926 HydrophobicContact CG1-CE3 4.31Å; V551-W926 HydrophobicContact CG2-CE3 4.37Å; V551-W926 HydrophobicContact CG2-CH2 4.01Å; V551-W926 HydrophobicContact CG2-CZ2 4.47Å; V551-W926 HydrophobicContact CG2-CZ3 3.97Å |
| 552 | S | 91.1 | Very high | 96.1 | Very high | 35 Ų | 35 | 25.1 Ų | 25.1 | 25% | 0.245 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.2 | -25.8 | -179.6 | -175.4 | 0 | 0 | 0 | 0 | 114.1 | S548 R1015 | S548-S552 WeakPolarHBondContact O-CB 3.28Å; S548-S552 PolarHBondContact O-N 3.09Å; S548-S552 VanDerWaalsContact O-N 3.09Å; S552-R1015 PolarHBondContact OG-NH2 3.28Å |
| 553 | N | 92.9 | Very high | 96.1 | Very high | 10 Ų | 10 | 29.3 Ų | 29.3 | 5% | 0.053 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 7.7 | -179.1 | -69.1 | -81.4 | 0 | 0 | 0 | 113.6 | D524 R549 C550 V551 R555 | D524-N553 WeakPolarHBondContact CA-OD1 3.3Å; D524-N553 VanDerWaalsContact CB-OD1 3.28Å; D524-N553 WeakPolarHBondContact CB-OD1 3.4Å; D524-N553 PolarHBondContact O-OD1 3.45Å; R549-N553 WeakPolarHBondContact O-CB 3.36Å; R549-N553 PolarHBondContact O-N 2.86Å; R549-N553 VanDerWaalsContact O-N 3.13Å; R549-N553 PolarHBondContact O-ND2 2.83Å; C550-N553 CarbonylContact O-C 3.59Å; C550-N553 PolarHBondContact O-N 3.49Å; V551-N553 PolarHBondContact O-N 2.65Å; N553-R555 VanDerWaalsContact C-N 3.29Å; N553-R555 HydrophobicContact CB-CG 4.05Å; N553-R555 PolarHBondContact O-N 3.12Å; N553-R555 PolarHBondContact O-NE 3.38Å |
| 554 | Q | 94.3 | Very high | 96.1 | Very high | 103 Ų | 103 | 28.7 Ų | 28.7 | 48% | 0.481 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 49.4 | -177.6 | -61.7 | -178.1 | -12.9 | 0 | 0 | 112.7 | C550 V551 P574 W926 | C550-Q554 WeakPolarHBondContact O-CA 3.35Å; C550-Q554 PolarHBondContact O-N 3.33Å; V551-Q554 PolarHBondContact O-N 2.96Å; Q554-P574 HydrophobicContact CB-CB 4.49Å; Q554-P574 WeakPolarHBondContact O-CG 3.4Å; Q554-W926 PolarHBondContact NE2-O 3.17Å |
| 555 | R | 97 | Very high | 96.2 | Very high | 60 Ų | 60 | 24.7 Ų | 24.7 | 23% | 0.226 | 13% | 0.131 | C | C | . | . | trans | -106.4 | 136.4 | 178.1 | -60.6 | -63 | 131.9 | 166.7 | 5.8 | 110.7 | Y527 S528 M530 V533 C550 N553 | Y527-R555 VanDerWaalsContact O-CD 3.29Å; Y527-R555 WeakPolarHBondContact O-CD 3.26Å; Y527-R555 WeakPolarHBondContact O-CG 3.22Å; S528-R555 PolarHBondContact O-NH1 3.08Å; S528-R555 PolarHBondContact O-NH2 3.29Å; S528-R555 VanDerWaalsContact O-NH2 3.11Å; M530-R555 VanDerWaalsContact O-CD 3.22Å; M530-R555 WeakPolarHBondContact O-CD 3.41Å; M530-R555 PolarHBondContact O-NH1 3.29Å; V533-R555 HydrophobicContact CG2-CB 4.3Å; C550-R555 HydrophobicContact CB-CB 4.44Å; C550-R555 PolarHBondContact O-N 3.36Å; N553-R555 VanDerWaalsContact C-N 3.29Å; N553-R555 HydrophobicContact CB-CG 4.05Å; N553-R555 PolarHBondContact O-N 3.12Å; N553-R555 PolarHBondContact O-NE 3.38Å | ||
| 556 | P | 98.1 | Very high | 96.3 | Very high | 21 Ų | 21 | 26.3 Ų | 26.3 | 14% | 0.136 | 14% | 0.138 | C | C | . | . | trans | -58.2 | 140.8 | 166.5 | -18.6 | 29.8 | 0 | 0 | 0 | 111.4 | N531 V532 V533 I572 P574 V883 | N531-P556 WeakPolarHBondContact O-CD 3.35Å; V532-P556 HydrophobicContact CG2-CB 4.25Å; V533-P556 PolarHBondContact N-O 2.85Å; P556-I572 WeakPolarHBondContact CA-O 3.37Å; P556-P574 HydrophobicContact CG-CG 4.37Å; P556-V883 HydrophobicContact CB-CG1 3.74Å; P556-V883 HydrophobicContact CG-CG1 4.06Å | ||
| 557 | L | 98.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 127.6 | 176.4 | 170.6 | 61.5 | 0 | 0 | 0 | 109.1 | V533 T535 V546 D547 C550 I572 | V533-L557 HydrophobicContact CB-CD1 4.21Å; V533-L557 HydrophobicContact CG1-CD1 4.04Å; V533-L557 WeakPolarHBondContact O-CA 3.44Å; T535-L557 HydrophobicContact CG2-CD1 3.76Å; V546-L557 HydrophobicContact CG1-CD1 4.24Å; D547-L557 HydrophobicContact CB-CD2 3.91Å; C550-L557 HydrophobicContact CB-CB 4.19Å; L557-I572 HydrophobicContact CB-CB 4.12Å; L557-I572 HydrophobicContact CB-CD1 4.4Å; L557-I572 HydrophobicContact CB-CG2 4.4Å; L557-I572 HydrophobicContact CD2-CD1 3.9Å; L557-I572 HydrophobicContact CG-CD1 4.06Å; L557-I572 PolarHBondContact N-O 3.42Å; L557-I572 WeakPolarHBondContact O-CA 3.41Å; L557-I572 WeakPolarHBondContact O-CB 3.29Å; L557-I572 PolarHBondContact O-N 2.94Å |
| 558 | L | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 110.8 | 169.2 | -47.3 | 179.9 | 0 | 0 | 0 | 108.3 | V532 V533 V534 T535 I571 V876 L880 V883 | V532-L558 HydrophobicContact CG2-CD1 4.22Å; V532-L558 HydrophobicContact CG2-CG 4.05Å; V533-L558 PolarHBondContact O-N 3.42Å; V534-L558 WeakPolarHBondContact CA-O 3.21Å; V534-L558 HydrophobicContact CG2-CB 4.32Å; V534-L558 HydrophobicContact CG2-CD1 4.21Å; V534-L558 HydrophobicContact CG2-CG 4.47Å; T535-L558 PolarHBondContact N-O 2.93Å; T535-L558 PolarHBondContact OG1-O 3.37Å; L558-I571 HydrophobicContact CD2-CD1 4.02Å; L558-I571 HydrophobicContact CD2-CG2 3.86Å; L558-V876 HydrophobicContact CB-CG1 3.86Å; L558-V876 HydrophobicContact CD1-CG1 4.19Å; L558-L880 HydrophobicContact CD1-CB 3.58Å; L558-L880 HydrophobicContact CD1-CD1 3.75Å; L558-L880 HydrophobicContact CD1-CG 4.24Å; L558-V883 HydrophobicContact CD2-CG2 4.01Å |
| 559 | D | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 152.3 | 177.4 | -165.9 | 87.3 | 0 | 0 | 0 | 112.1 | T535 R543 E570 | T535-D559 WeakPolarHBondContact CB-OD1 3.32Å; T535-D559 VanDerWaalsContact OG1-CA 3.24Å; T535-D559 WeakPolarHBondContact OG1-CA 3.38Å; T535-D559 WeakPolarHBondContact OG1-CB 3.27Å; T535-D559 VanDerWaalsContact OG1-CG 3.23Å; T535-D559 PolarHBondContact OG1-OD1 3.39Å; R543-D559 WeakPolarHBondContact CD-OD1 3.42Å; R543-D559 WeakPolarHBondContact CG-OD1 2.9Å; R543-D559 IonicContact NE-OD1 3.28Å; R543-D559 PolarHBondContact NE-OD1 2.72Å; R543-D559 IonicContact NE-OD2 3.45Å; R543-D559 PolarHBondContact NE-OD2 2.94Å; R543-D559 VanDerWaalsContact NE-OD2 3.13Å; D559-E570 HydrophobicContact CB-CB 4.44Å; D559-E570 PolarHBondContact N-O 3.47Å; D559-E570 PolarHBondContact O-N 3.48Å |
| 560 | S | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 160.7 | 170.3 | 61.5 | 0 | 0 | 0 | 0 | 113.2 | R543 H568 V872 | R543-S560 PolarHBondContact NH2-O 3.33Å; S560-H568 VanDerWaalsContact CA-O 3.31Å; S560-H568 WeakPolarHBondContact CA-O 3.37Å; S560-H568 VanDerWaalsContact CB-O 3.32Å; S560-H568 WeakPolarHBondContact CB-O 3.37Å; S560-V872 WeakPolarHBondContact OG-CG1 3.44Å |
| 561 | G | 96.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 157.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G567 H568 | G561-G567 VanDerWaalsContact O-CA 3.31Å; G561-G567 WeakPolarHBondContact O-CA 3.41Å; G561-H568 PolarHBondContact N-O 2.87Å; G561-H568 PolarHBondContact O-N 3.27Å |
| 562 | T | 96.8 | Very high | 96.6 | Very high | 35 Ų | 35 | 26.5 Ų | 26.5 | 22% | 0.215 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 148.5 | 176.5 | 58.3 | 0 | 0 | 0 | 0 | 111.3 | I440 K566 A868 V872 | I440-T562 HydrophobicContact CD1-CG2 4.39Å; T562-K566 CarbonylContact C-O 3.55Å; T562-K566 VanDerWaalsContact CA-O 3.28Å; T562-K566 WeakPolarHBondContact CA-O 3.34Å; T562-A868 HydrophobicContact CG2-CB 4.42Å; T562-V872 HydrophobicContact CG2-CB 4.23Å; T562-V872 HydrophobicContact CG2-CG2 3.73Å |
| 563 | M | 94.1 | Very high | 96.9 | Very high | 102 Ų | 102 | 25.8 Ų | 25.8 | 50% | 0.502 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 102.8 | 169.7 | -176.9 | 176.9 | 68.2 | 0 | 0 | 109.1 | T565 K566 I862 | M563-T565 PolarHBondContact O-N 2.74Å; M563-K566 HydrophobicContact CE-CD 3.91Å; M563-K566 PolarHBondContact N-O 2.93Å; M563-K566 WeakPolarHBondContact O-CB 3.32Å; M563-K566 PolarHBondContact O-N 2.99Å; M563-I862 HydrophobicContact CG-CG2 4.29Å |
| 564 | G | 95.2 | Very high | 97.1 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 6% | 0.062 | 13% | 0.134 | C | C | . | . | B | Isolated β-bridge | trans | 57.8 | -118.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K566 P863 I865 A868 | G564-K566 VanDerWaalsContact C-N 3.35Å; G564-P863 PolarHBondContact N-O 3.19Å; G564-I865 WeakPolarHBondContact O-CG2 3.05Å; G564-A868 WeakPolarHBondContact O-CB 3.36Å |
| 565 | T | 97.2 | Very high | 97 | Very high | 11 Ų | 11 | 25 Ų | 25 | 7% | 0.067 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -7.1 | 176.4 | 51.7 | 0 | 0 | 0 | 0 | 114 | V19 F379 M563 N898 L899 A900 | V19-T565 HydrophobicContact CG1-CG2 3.85Å; F379-T565 HydrophobicContact CD2-CG2 4.23Å; F379-T565 HydrophobicContact CE2-CG2 3.62Å; F379-T565 HydrophobicContact CZ-CG2 3.86Å; M563-T565 PolarHBondContact O-N 2.74Å; T565-N898 CarbonylContact O-C 3.59Å; T565-N898 WeakPolarHBondContact O-CA 3.42Å; T565-N898 PolarHBondContact OG1-OD1 3.29Å; T565-L899 PolarHBondContact O-N 3.43Å; T565-A900 HydrophobicContact CG2-CB 4Å; T565-A900 VanDerWaalsContact OG1-CB 3.24Å; T565-A900 WeakPolarHBondContact OG1-CB 3.18Å; T565-A900 PolarHBondContact OG1-N 3.2Å |
| 566 | K | 98 | Very high | 96.9 | Very high | 66 Ų | 66 | 25.2 Ų | 25.2 | 29% | 0.287 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 142.3 | 179.7 | -58.2 | 172.5 | -174.8 | 172.2 | 0 | 110.1 | E180 T562 M563 G564 F897 N898 | E180-K566 VanDerWaalsContact OE1-CE 3.31Å; E180-K566 WeakPolarHBondContact OE1-CE 3.48Å; E180-K566 IonicContact OE1-NZ 2.83Å; E180-K566 PolarHBondContact OE1-NZ 3.48Å; T562-K566 CarbonylContact C-O 3.55Å; T562-K566 VanDerWaalsContact CA-O 3.28Å; T562-K566 WeakPolarHBondContact CA-O 3.34Å; M563-K566 HydrophobicContact CE-CD 3.91Å; M563-K566 PolarHBondContact N-O 2.93Å; M563-K566 WeakPolarHBondContact O-CB 3.32Å; M563-K566 PolarHBondContact O-N 2.99Å; G564-K566 VanDerWaalsContact C-N 3.35Å; K566-F897 WeakPolarHBondContact CA-O 3.4Å; K566-N898 HydrophobicContact CG-CB 3.95Å |
| 567 | G | 97.6 | Very high | 96.9 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 6% | 0.062 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 152.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G561 F897 | G561-G567 VanDerWaalsContact O-CA 3.31Å; G561-G567 WeakPolarHBondContact O-CA 3.41Å; G567-F897 PolarHBondContact N-O 3.43Å; G567-F897 PolarHBondContact O-N 3.5Å |
| 568 | H | 97.3 | Very high | 96.7 | Very high | 51 Ų | 51 | 26.2 Ų | 26.2 | 24% | 0.236 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 156.5 | 171.9 | 66.8 | -89.4 | 0 | 0 | 0 | 112.4 | S560 G561 C895 F896 | S560-H568 VanDerWaalsContact CA-O 3.31Å; S560-H568 WeakPolarHBondContact CA-O 3.37Å; S560-H568 VanDerWaalsContact CB-O 3.32Å; S560-H568 WeakPolarHBondContact CB-O 3.37Å; G561-H568 PolarHBondContact N-O 2.87Å; G561-H568 PolarHBondContact O-N 3.27Å; H568-C895 CarbonylContact C-O 3.25Å; H568-C895 WeakPolarHBondContact CA-O 3.24Å; H568-F896 HydrophobicContact CB-CD1 3.59Å; H568-F896 HydrophobicContact CB-CE1 3.82Å; H568-F896 HydrophobicContact CB-CG 4.48Å |
| 569 | T | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 134.9 | 170.8 | 67.3 | 0 | 0 | 0 | 0 | 109.9 | V872 L875 V876 N894 C895 | T569-V872 HydrophobicContact CG2-CG1 4.23Å; T569-L875 HydrophobicContact CG2-CB 3.87Å; T569-V876 HydrophobicContact CG2-CG2 3.56Å; T569-N894 WeakPolarHBondContact O-CA 3.05Å; T569-N894 WeakPolarHBondContact O-CB 3.37Å; T569-C895 PolarHBondContact N-O 3.04Å; T569-C895 PolarHBondContact O-N 3.3Å; T569-C895 WeakPolarHBondContact OG1-CB 3.46Å; T569-C895 PolarHBondContact OG1-N 3.49Å |
| 570 | E | 96.8 | Very high | 96.3 | Very high | 39 Ų | 39 | 27.6 Ų | 27.6 | 18% | 0.182 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 122.4 | 177.6 | -72.9 | -174.5 | -176.7 | 0 | 0 | 110.7 | D559 Y580 N894 | D559-E570 HydrophobicContact CB-CB 4.44Å; D559-E570 PolarHBondContact N-O 3.47Å; D559-E570 PolarHBondContact O-N 3.48Å; E570-Y580 VanDerWaalsContact OE2-CD2 3.28Å; E570-Y580 WeakPolarHBondContact OE2-CD2 3.29Å; E570-N894 WeakPolarHBondContact CA-OD1 3.29Å |
| 571 | I | 97.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 113.8 | -173.5 | -47.7 | -53.5 | 0 | 0 | 0 | 109.1 | L558 V573 E879 V883 L892 K893 N894 | L558-I571 HydrophobicContact CD2-CD1 4.02Å; L558-I571 HydrophobicContact CD2-CG2 3.86Å; I571-V573 HydrophobicContact CG2-CG2 4.11Å; I571-E879 HydrophobicContact CD1-CB 3.41Å; I571-E879 VanDerWaalsContact CD1-CB 3.41Å; I571-E879 HydrophobicContact CD1-CG 3.64Å; I571-E879 HydrophobicContact CG1-CB 3.8Å; I571-E879 HydrophobicContact CG1-CG 3.72Å; I571-E879 HydrophobicContact CG2-CB 4.46Å; I571-V883 HydrophobicContact CG2-CG2 3.92Å; I571-L892 HydrophobicContact CG2-CD1 4.44Å; I571-L892 HydrophobicContact CG2-CD2 4.29Å; I571-K893 WeakPolarHBondContact CG1-O 3.47Å; I571-N894 PolarHBondContact N-OD1 3Å |
| 572 | I | 98 | Very high | 95.8 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 112.2 | -171.6 | -62.8 | 144.5 | 0 | 0 | 0 | 108.8 | P556 L557 T577 W926 | P556-I572 WeakPolarHBondContact CA-O 3.37Å; L557-I572 HydrophobicContact CB-CB 4.12Å; L557-I572 HydrophobicContact CB-CD1 4.4Å; L557-I572 HydrophobicContact CB-CG2 4.4Å; L557-I572 HydrophobicContact CD2-CD1 3.9Å; L557-I572 HydrophobicContact CG-CD1 4.06Å; L557-I572 PolarHBondContact N-O 3.42Å; L557-I572 WeakPolarHBondContact O-CA 3.41Å; L557-I572 WeakPolarHBondContact O-CB 3.29Å; L557-I572 PolarHBondContact O-N 2.94Å; I572-T577 WeakPolarHBondContact CA-OG1 3.25Å; I572-W926 HydrophobicContact CG2-CH2 3.72Å; I572-W926 HydrophobicContact CG2-CZ2 3.62Å |
| 573 | V | 97.8 | Very high | 95.1 | Very high | 20 Ų | 20 | 36 Ų | 36 | 12% | 0.121 | 19% | 0.193 | C | C | . | . | trans | -123.6 | 127.2 | -174.2 | -172.9 | 0 | 0 | 0 | 0 | 110.5 | I571 S575 L576 T577 V883 L892 | I571-V573 HydrophobicContact CG2-CG2 4.11Å; V573-S575 PolarHBondContact O-N 3.46Å; V573-L576 HydrophobicContact CB-CB 4.25Å; V573-L576 HydrophobicContact CB-CD1 4.32Å; V573-L576 HydrophobicContact CG1-CB 4.44Å; V573-L576 HydrophobicContact CG1-CD1 3.84Å; V573-L576 HydrophobicContact CG1-CG 4.32Å; V573-L576 PolarHBondContact O-N 2.94Å; V573-L576 VanDerWaalsContact O-N 3.13Å; V573-T577 HydrophobicContact CB-CG2 4.39Å; V573-T577 PolarHBondContact N-OG1 2.92Å; V573-T577 PolarHBondContact O-N 3.44Å; V573-T577 VanDerWaalsContact O-N 3.11Å; V573-T577 PolarHBondContact O-OG1 2.83Å; V573-V883 HydrophobicContact CG2-CG2 3.84Å; V573-L892 HydrophobicContact CB-CD1 4.39Å; V573-L892 HydrophobicContact CG2-CD1 3.71Å | ||
| 574 | P | 96.1 | Very high | 94.4 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 17% | 0.169 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | 134.2 | 179.6 | -29.2 | 33.6 | 0 | 0 | 0 | 113.1 | Q554 P556 L576 W926 | Q554-P574 HydrophobicContact CB-CB 4.49Å; Q554-P574 WeakPolarHBondContact O-CG 3.4Å; P556-P574 HydrophobicContact CG-CG 4.37Å; P574-L576 PolarHBondContact O-N 3Å; P574-W926 HydrophobicContact CB-CD2 4.2Å; P574-W926 HydrophobicContact CB-CE3 3.88Å; P574-W926 HydrophobicContact CB-CH2 4.46Å; P574-W926 HydrophobicContact CB-CZ3 4Å; P574-W926 HydrophobicContact CG-CE3 4.16Å; P574-W926 HydrophobicContact CG-CH2 4.09Å; P574-W926 HydrophobicContact CG-CZ3 3.75Å |
| 575 | S | 93.3 | Very high | 93.5 | Very high | 69 Ų | 69 | 45.7 Ų | 45.7 | 48% | 0.483 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 1.1 | 177.9 | -52.2 | 0 | 0 | 0 | 0 | 116.1 | V573 W926 | V573-S575 PolarHBondContact O-N 3.46Å; S575-W926 VanDerWaalsContact N-CG 3.32Å |
| 576 | L | 94.9 | Very high | 92.5 | Very high | 66 Ų | 66 | 50.9 Ų | 50.9 | 35% | 0.346 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -49.8 | 177.7 | -64.7 | -176.3 | 0 | 0 | 0 | 112.1 | V573 P574 V912 | V573-L576 HydrophobicContact CB-CB 4.25Å; V573-L576 HydrophobicContact CB-CD1 4.32Å; V573-L576 HydrophobicContact CG1-CB 4.44Å; V573-L576 HydrophobicContact CG1-CD1 3.84Å; V573-L576 HydrophobicContact CG1-CG 4.32Å; V573-L576 PolarHBondContact O-N 2.94Å; V573-L576 VanDerWaalsContact O-N 3.13Å; P574-L576 PolarHBondContact O-N 3Å; L576-V912 PolarHBondContact O-N 3.43Å |
| 577 | T | 96.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -112.8 | 165.6 | -171.6 | 70.9 | 0 | 0 | 0 | 0 | 112.1 | I572 V573 F889 L892 P909 A910 V912 W926 | I572-T577 WeakPolarHBondContact CA-OG1 3.25Å; V573-T577 HydrophobicContact CB-CG2 4.39Å; V573-T577 PolarHBondContact N-OG1 2.92Å; V573-T577 PolarHBondContact O-N 3.44Å; V573-T577 VanDerWaalsContact O-N 3.11Å; V573-T577 PolarHBondContact O-OG1 2.83Å; T577-F889 HydrophobicContact CG2-CD2 4.26Å; T577-F889 HydrophobicContact CG2-CE2 4.29Å; T577-L892 HydrophobicContact CG2-CD1 4.37Å; T577-P909 HydrophobicContact CG2-CB 3.74Å; T577-P909 HydrophobicContact CG2-CG 4.31Å; T577-A910 CarbonylContact C-O 3.41Å; T577-A910 VanDerWaalsContact CA-O 3.23Å; T577-A910 WeakPolarHBondContact CA-O 3.45Å; T577-A910 WeakPolarHBondContact CB-O 3.32Å; T577-V912 WeakPolarHBondContact O-CB 3.29Å; T577-W926 PolarHBondContact O-NE1 3.25Å |
| 578 | E | 95.1 | Very high | 90.2 | Very high | 42 Ų | 42 | 60.1 Ų | 60.1 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | trans | -65 | 170.3 | 160.1 | -61 | -162.6 | 150.2 | 0 | 0 | 111.1 | H583 A910 P911 | E578-H583 IonicContact OE2-CE1 2.66Å; E578-H583 PolarHBondContact OE2-CE1 3.45Å; E578-H583 IonicContact OE2-NE2 3.68Å; E578-H583 PolarHBondContact OE2-NE2 3.05Å; E578-A910 HydrophobicContact CB-CB 4.16Å; E578-A910 HydrophobicContact CG-CB 3.9Å; E578-A910 PolarHBondContact N-O 3.19Å; E578-P911 WeakPolarHBondContact CG-O 3.44Å | ||
| 579 | S | 95.4 | Very high | 88.9 | Confident | 10 Ų | 10 | 65.7 Ų | 65.7 | 7% | 0.07 | 34% | 0.341 | C | S | . | . | trans | -104.6 | 166.4 | 177.4 | 93.5 | 0 | 0 | 0 | 0 | 111 | D547 N581 S582 | D547-S579 VanDerWaalsContact OD1-CB 3.28Å; D547-S579 WeakPolarHBondContact OD1-CB 3.39Å; D547-S579 WeakPolarHBondContact OD2-CB 3.4Å; D547-S579 PolarHBondContact OD2-OG 2.91Å; S579-N581 PolarHBondContact O-N 2.69Å; S579-N581 PolarHBondContact OG-N 3.04Å; S579-S582 PolarHBondContact N-OG 2.89Å; S579-S582 VanDerWaalsContact O-CB 3.25Å; S579-S582 WeakPolarHBondContact O-CB 3.38Å; S579-S582 PolarHBondContact O-N 3.3Å; S579-S582 PolarHBondContact O-OG 2.98Å | ||
| 580 | Y | 94.1 | Very high | 87.7 | Confident | 18 Ų | 18 | 74.4 Ų | 74.4 | 7% | 0.071 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -55 | -38.2 | 177.6 | -177.8 | -98.2 | 0 | 0 | 0 | 111.7 | V540 R543 R544 D547 E570 S582 D585 | V540-Y580 HydrophobicContact CG1-CE1 4.39Å; R543-Y580 HydrophobicContact CB-CD1 4.14Å; R543-Y580 HydrophobicContact CB-CE1 3.66Å; R544-Y580 HydrophobicContact CG-CD1 4.07Å; R544-Y580 HydrophobicContact CG-CE1 3.83Å; D547-Y580 WeakPolarHBondContact OD1-CB 3.32Å; D547-Y580 PolarHBondContact OD1-N 2.84Å; E570-Y580 VanDerWaalsContact OE2-CD2 3.28Å; E570-Y580 WeakPolarHBondContact OE2-CD2 3.29Å; Y580-S582 VanDerWaalsContact C-N 3.25Å; Y580-S582 PolarHBondContact O-N 2.84Å; Y580-D585 PolarHBondContact OH-OD2 2.94Å |
| 581 | N | 92.3 | Very high | 87.1 | Confident | 62 Ų | 62 | 74.9 Ų | 74.9 | 33% | 0.332 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -73.7 | -6 | 178.5 | -74.2 | -49.4 | 0 | 0 | 0 | 115.2 | R544 D547 S579 H583 | R544-N581 VanDerWaalsContact CB-OD1 3.22Å; R544-N581 WeakPolarHBondContact CB-OD1 3.42Å; R544-N581 WeakPolarHBondContact CD-OD1 3.47Å; R544-N581 WeakPolarHBondContact CG-OD1 3.44Å; R544-N581 PolarHBondContact O-ND2 3.41Å; D547-N581 WeakPolarHBondContact OD2-CB 3.31Å; D547-N581 VanDerWaalsContact OD2-CG 3.28Å; D547-N581 PolarHBondContact OD2-N 3.05Å; D547-N581 VanDerWaalsContact OD2-N 3.14Å; D547-N581 PolarHBondContact OD2-ND2 3.12Å; S579-N581 PolarHBondContact O-N 2.69Å; S579-N581 PolarHBondContact OG-N 3.04Å; N581-H583 VanDerWaalsContact C-N 3.27Å; N581-H583 PolarHBondContact O-N 2.76Å |
| 582 | S | 89.6 | Confident | 86.4 | Confident | 47 Ų | 47 | 76.8 Ų | 76.8 | 33% | 0.329 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -72.2 | -23.8 | 178.1 | -63.1 | 0 | 0 | 0 | 0 | 112.5 | S579 Y580 | S579-S582 PolarHBondContact N-OG 2.89Å; S579-S582 VanDerWaalsContact O-CB 3.25Å; S579-S582 WeakPolarHBondContact O-CB 3.38Å; S579-S582 PolarHBondContact O-N 3.3Å; S579-S582 PolarHBondContact O-OG 2.98Å; Y580-S582 VanDerWaalsContact C-N 3.25Å; Y580-S582 PolarHBondContact O-N 2.84Å |
| 583 | H | 83.4 | Confident | 85.7 | Confident | 106 Ų | 106 | 78.6 Ų | 78.6 | 49% | 0.491 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -109.5 | 151.4 | 173.8 | -57 | -50.2 | 0 | 0 | 0 | 111.3 | E578 N581 | E578-H583 IonicContact OE2-CE1 2.66Å; E578-H583 PolarHBondContact OE2-CE1 3.45Å; E578-H583 IonicContact OE2-NE2 3.68Å; E578-H583 PolarHBondContact OE2-NE2 3.05Å; N581-H583 VanDerWaalsContact C-N 3.27Å; N581-H583 PolarHBondContact O-N 2.76Å |
| 584 | R | 77.6 | Confident | 85 | Confident | 233 Ų | 233 | 77.7 Ų | 77.7 | 88% | 0.879 | 40% | 0.4 | S | S | * | . | trans | -111.4 | 113.8 | 173.1 | -73.5 | -171.1 | -179.2 | -174.8 | 2.2 | 109.4 | ||||
| 585 | D | 78 | Confident | 84.6 | Confident | 78 Ų | 78 | 77.1 Ų | 77.1 | 42% | 0.417 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 147.4 | 163.6 | -67 | -43.6 | 0 | 0 | 0 | 110.7 | Y580 | Y580-D585 PolarHBondContact OH-OD2 2.94Š|
| 586 | P | 76.5 | Confident | 84.3 | Confident | 119 Ų | 119 | 74.8 Ų | 74.8 | 77% | 0.773 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 129.1 | 170.4 | -22.6 | 32.6 | 0 | 0 | 0 | 110.1 | ||
| 587 | P | 75.6 | Confident | 83.9 | Confident | 116 Ų | 116 | 75.2 Ų | 75.2 | 75% | 0.753 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 153.4 | 176.2 | 27.7 | -33.8 | 0 | 0 | 0 | 110.6 | E589 | P587-E589 PolarHBondContact O-N 3.02Š|
| 588 | E | 71.3 | Confident | 83.5 | Confident | 150 Ų | 150 | 75.7 Ų | 75.7 | 70% | 0.701 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 131.6 | 167.3 | -71.5 | -173 | -179.2 | 0 | 0 | 109 | E590 K860 | E588-E590 PolarHBondContact O-N 3.44Å; E588-E590 VanDerWaalsContact O-N 3.1Å; E588-K860 IonicContact OE2-NZ 2.76Å; E588-K860 PolarHBondContact OE2-NZ 2.74Å |
| 589 | E | 68.4 | Low | 83.4 | Confident | 169 Ų | 169 | 74 Ų | 74 | 79% | 0.79 | 37% | 0.372 | S | S | * | . | trans | -64.7 | 110.6 | 173.4 | -73 | -177.6 | 173.9 | 0 | 0 | 109.2 | P587 | P587-E589 PolarHBondContact O-N 3.02Š| ||
| 590 | E | 74.6 | Confident | 83.3 | Confident | 184 Ų | 184 | 73.5 Ų | 73.5 | 86% | 0.86 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -76 | 128.6 | 172.5 | -71.2 | -170.9 | 173.4 | 0 | 0 | 110.3 | E588 P592 | E588-E590 PolarHBondContact O-N 3.44Å; E588-E590 VanDerWaalsContact O-N 3.1Å; E590-P592 WeakPolarHBondContact O-CD 3.46Å |
| 591 | I | 82.4 | Confident | 83 | Confident | 49 Ų | 49 | 73.2 Ų | 73.2 | 25% | 0.251 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 126.9 | 176.7 | -54.7 | 163.9 | 0 | 0 | 0 | 108.7 | T595 L596 Q608 | I591-T595 HydrophobicContact CG2-CG2 3.88Å; I591-L596 HydrophobicContact CB-CD1 4.2Å; I591-L596 HydrophobicContact CB-CD2 4.01Å; I591-L596 HydrophobicContact CB-CG 3.97Å; I591-L596 HydrophobicContact CD1-CD2 3.91Å; I591-L596 HydrophobicContact CG2-CD1 4.41Å; I591-L596 HydrophobicContact CG2-CD2 3.66Å; I591-L596 HydrophobicContact CG2-CG 3.64Å; I591-Q608 HydrophobicContact CD1-CB 4.08Å; I591-Q608 HydrophobicContact CD1-CG 4.32Å |
| 592 | P | 83.6 | Confident | 82.9 | Confident | 43 Ų | 43 | 71.4 Ų | 71.4 | 28% | 0.279 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 143.5 | 178.9 | -27.2 | 34.4 | 0 | 0 | 0 | 113.2 | E590 C594 T595 L596 E775 | E590-P592 WeakPolarHBondContact O-CD 3.46Å; P592-C594 VanDerWaalsContact C-N 3.35Å; P592-C594 PolarHBondContact O-N 3.17Å; P592-T595 VanDerWaalsContact O-CB 3.31Å; P592-T595 WeakPolarHBondContact O-CB 3.29Å; P592-T595 PolarHBondContact O-N 3.37Å; P592-T595 VanDerWaalsContact O-N 3.11Å; P592-L596 PolarHBondContact O-N 3.48Å; P592-L596 VanDerWaalsContact O-N 3.1Å; P592-E775 HydrophobicContact CB-CB 4.16Å; P592-E775 HydrophobicContact CB-CG 4.36Å; P592-E775 HydrophobicContact CG-CB 4.45Å |
| 593 | F | 83.3 | Confident | 83.1 | Confident | 42 Ų | 42 | 69.7 Ų | 69.7 | 18% | 0.184 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.4 | -41.2 | -175.7 | 174.5 | -113 | 0 | 0 | 0 | 112.7 | T595 L596 K597 A777 K779 | F593-T595 VanDerWaalsContact C-N 3.29Å; F593-T595 PolarHBondContact O-N 2.93Å; F593-L596 PolarHBondContact O-N 3.17Å; F593-K597 HydrophobicContact CD1-CD 4.48Å; F593-K597 HydrophobicContact CE1-CD 3.67Å; F593-K597 HydrophobicContact CE2-CD 4.39Å; F593-K597 HydrophobicContact CZ-CD 3.63Å; F593-K597 WeakPolarHBondContact O-CB 3.4Å; F593-K597 PolarHBondContact O-N 2.98Å; F593-A777 WeakPolarHBondContact CB-O 3.42Å; F593-K779 HydrophobicContact CD2-CB 3.71Å; F593-K779 HydrophobicContact CD2-CD 4.33Å; F593-K779 HydrophobicContact CD2-CG 4.03Å; F593-K779 HydrophobicContact CE2-CB 3.68Å; F593-K779 HydrophobicContact CE2-CD 3.91Å; F593-K779 HydrophobicContact CE2-CG 3.49Å; F593-K779 VanDerWaalsContact CE2-CG 3.49Å; F593-K779 HydrophobicContact CG-CB 4.24Å; F593-K779 HydrophobicContact CZ-CB 4.17Å; F593-K779 HydrophobicContact CZ-CG 3.96Å |
| 594 | C | 83.5 | Confident | 83.5 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.014 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64 | -35.6 | 177.4 | 64.1 | 0 | 0 | 0 | 0 | 111.9 | P592 K597 S598 F599 E775 | P592-C594 VanDerWaalsContact C-N 3.35Å; P592-C594 PolarHBondContact O-N 3.17Å; C594-K597 PolarHBondContact O-N 3.31Å; C594-S598 WeakPolarHBondContact O-CA 3.48Å; C594-S598 WeakPolarHBondContact O-CB 3.4Å; C594-S598 PolarHBondContact O-N 3.33Å; C594-F599 HydrophobicContact CB-CD2 4.44Å; C594-F599 PolarHBondContact O-N 2.66Å; C594-F599 VanDerWaalsContact O-N 3.17Å; C594-E775 VanDerWaalsContact SG-CA 3.57Å; C594-E775 VanDerWaalsContact SG-CG 3.52Å |
| 595 | T | 86.5 | Confident | 84.3 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 9% | 0.086 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64 | -50.6 | 176.5 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | I591 P592 F593 K597 F599 P600 H605 | I591-T595 HydrophobicContact CG2-CG2 3.88Å; P592-T595 VanDerWaalsContact O-CB 3.31Å; P592-T595 WeakPolarHBondContact O-CB 3.29Å; P592-T595 PolarHBondContact O-N 3.37Å; P592-T595 VanDerWaalsContact O-N 3.11Å; F593-T595 VanDerWaalsContact C-N 3.29Å; F593-T595 PolarHBondContact O-N 2.93Å; T595-K597 PolarHBondContact O-N 2.52Å; T595-F599 WeakPolarHBondContact CG2-O 3.34Å; T595-F599 CarbonylContact O-C 3.51Å; T595-F599 PolarHBondContact O-N 3.02Å; T595-P600 VanDerWaalsContact O-N 3.09Å; T595-H605 WeakPolarHBondContact CG2-CE1 3.35Å; T595-H605 WeakPolarHBondContact CG2-ND1 3.46Å |
| 596 | L | 87.3 | Confident | 85.2 | Confident | 20 Ų | 20 | 54.5 Ų | 54.5 | 11% | 0.105 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 174.7 | -68.5 | 177.9 | 0 | 0 | 0 | 112 | I591 P592 F593 H605 Q608 R840 | I591-L596 HydrophobicContact CB-CD1 4.2Å; I591-L596 HydrophobicContact CB-CD2 4.01Å; I591-L596 HydrophobicContact CB-CG 3.97Å; I591-L596 HydrophobicContact CD1-CD2 3.91Å; I591-L596 HydrophobicContact CG2-CD1 4.41Å; I591-L596 HydrophobicContact CG2-CD2 3.66Å; I591-L596 HydrophobicContact CG2-CG 3.64Å; P592-L596 PolarHBondContact O-N 3.48Å; P592-L596 VanDerWaalsContact O-N 3.1Å; F593-L596 PolarHBondContact O-N 3.17Å; L596-H605 HydrophobicContact CD2-CB 4.39Å; L596-H605 WeakPolarHBondContact CD2-O 3.28Å; L596-Q608 HydrophobicContact CD1-CG 3.98Å; L596-Q608 HydrophobicContact CD2-CB 3.75Å; L596-Q608 HydrophobicContact CD2-CG 3.86Å; L596-R840 PolarHBondContact O-NH2 2.86Å |
| 597 | K | 87.1 | Confident | 86.1 | Confident | 75 Ų | 75 | 48.9 Ų | 48.9 | 33% | 0.326 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -72.8 | -42.3 | -173.3 | -175.5 | 178.8 | 174.4 | -173.7 | 0 | 113.2 | F593 C594 T595 R840 | F593-K597 HydrophobicContact CD1-CD 4.48Å; F593-K597 HydrophobicContact CE1-CD 3.67Å; F593-K597 HydrophobicContact CE2-CD 4.39Å; F593-K597 HydrophobicContact CZ-CD 3.63Å; F593-K597 WeakPolarHBondContact O-CB 3.4Å; F593-K597 PolarHBondContact O-N 2.98Å; C594-K597 PolarHBondContact O-N 3.31Å; T595-K597 PolarHBondContact O-N 2.52Å; K597-R840 PolarHBondContact O-NH2 2.75Å |
| 598 | S | 88.3 | Confident | 87 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 7% | 0.07 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136 | -30.8 | -162 | -58 | 0 | 0 | 0 | 0 | 114.8 | C594 L687 Y844 | C594-S598 WeakPolarHBondContact O-CA 3.48Å; C594-S598 WeakPolarHBondContact O-CB 3.4Å; C594-S598 PolarHBondContact O-N 3.33Å; S598-L687 VanDerWaalsContact O-CD2 3.28Å; S598-L687 WeakPolarHBondContact O-CD2 3.41Å; S598-Y844 PolarHBondContact O-OH 2.98Å |
| 599 | F | 92 | Very high | 88.2 | Confident | 7 Ų | 7 | 38.6 Ų | 38.6 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | trans | -132.9 | 59.6 | -169.6 | -48.2 | -68.7 | 0 | 0 | 0 | 113.1 | C594 T595 L687 F691 F703 W704 K708 T773 | C594-F599 HydrophobicContact CB-CD2 4.44Å; C594-F599 PolarHBondContact O-N 2.66Å; C594-F599 VanDerWaalsContact O-N 3.17Å; T595-F599 WeakPolarHBondContact CG2-O 3.34Å; T595-F599 CarbonylContact O-C 3.51Å; T595-F599 PolarHBondContact O-N 3.02Å; F599-L687 HydrophobicContact CD1-CD2 4.4Å; F599-L687 HydrophobicContact CE1-CD1 3.93Å; F599-L687 HydrophobicContact CE1-CD2 4.1Å; F599-L687 HydrophobicContact CE1-CG 4.39Å; F599-L687 HydrophobicContact CZ-CD1 4.12Å; F599-F691 HydrophobicContact CZ-CE2 4.25Å; F599-F703 AromaticContact CE1-CE1 3.95Å; F599-F703 HydrophobicContact CE1-CE1 3.95Å; F599-F703 AromaticContact CE1-CZ 3.84Å; F599-F703 HydrophobicContact CE1-CZ 3.84Å; F599-F703 HydrophobicContact CZ-CE1 4.42Å; F599-F703 AromaticContact CZ-CZ 3.86Å; F599-F703 HydrophobicContact CZ-CZ 3.86Å; F599-W704 HydrophobicContact CD1-CH2 4.1Å; F599-W704 AromaticContact CD1-CZ3 3.94Å; F599-W704 HydrophobicContact CD1-CZ3 3.94Å; F599-W704 AromaticContact CE1-CH2 3.86Å; F599-W704 HydrophobicContact CE1-CH2 3.86Å; F599-W704 HydrophobicContact CE1-CZ3 4.11Å; F599-K708 HydrophobicContact CB-CG 4.32Å; F599-K708 HydrophobicContact CG-CG 4.47Å; F599-T773 HydrophobicContact CE2-CG2 3.97Å; F599-T773 HydrophobicContact CZ-CG2 3.98Å | ||
| 600 | P | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -66.9 | 146.9 | 173.7 | 32.5 | -35.7 | 0 | 0 | 0 | 110 | T595 H605 T606 Y844 I846 | T595-P600 VanDerWaalsContact O-N 3.09Å; P600-H605 HydrophobicContact CB-CB 3.63Å; P600-T606 HydrophobicContact CB-CG2 3.93Å; P600-T606 HydrophobicContact CG-CG2 4.28Å; P600-Y844 VanDerWaalsContact CD-CE2 3.47Å; P600-Y844 VanDerWaalsContact CD-CZ 3.45Å; P600-Y844 HydrophobicContact CG-CD1 4.13Å; P600-Y844 HydrophobicContact CG-CD2 3.23Å; P600-Y844 HydrophobicContact CG-CE1 4.2Å; P600-Y844 HydrophobicContact CG-CE2 3.28Å; P600-Y844 HydrophobicContact CG-CG 3.68Å; P600-I846 HydrophobicContact CB-CD1 4.13Å; P600-I846 HydrophobicContact CG-CD1 4.38Å | ||
| 601 | S | 89.1 | Confident | 90.6 | Very high | 11 Ų | 11 | 24 Ų | 24 | 8% | 0.077 | 12% | 0.119 | C | C | . | . | trans | -127 | -25.9 | -176.9 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | H605 P707 R709 | S601-H605 PolarHBondContact N-ND1 2.94Å; S601-H605 PolarHBondContact OG-CE1 3.4Å; S601-H605 PolarHBondContact OG-ND1 3.05Å; S601-P707 VanDerWaalsContact CB-O 3.22Å; S601-P707 WeakPolarHBondContact CB-O 3.42Å; S601-R709 PolarHBondContact O-NE 3.2Å; S601-R709 VanDerWaalsContact O-NE 3.08Å | ||
| 602 | V | 90.4 | Very high | 91.2 | Very high | 24 Ų | 24 | 23.2 Ų | 23.2 | 15% | 0.145 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -131.4 | 166.4 | 178.5 | -61 | 0 | 0 | 0 | 0 | 110.8 | F186 E604 H605 | F186-V602 HydrophobicContact CE2-CG1 4.28Å; F186-V602 HydrophobicContact CZ-CG1 4.35Å; V602-E604 VanDerWaalsContact C-N 3.31Å; V602-E604 WeakPolarHBondContact CB-OE2 3.41Å; V602-E604 HydrophobicContact CG2-CB 4.26Å; V602-E604 WeakPolarHBondContact CG2-OE2 3.39Å; V602-E604 PolarHBondContact O-N 2.9Å; V602-H605 WeakPolarHBondContact O-CB 3.35Å; V602-H605 PolarHBondContact O-N 2.83Å |
| 603 | I | 92.1 | Very high | 91.8 | Very high | 12 Ų | 12 | 23 Ų | 23 | 6% | 0.062 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.1 | -35.5 | -172.6 | -170 | 60.3 | 0 | 0 | 0 | 112.5 | H605 T606 I607 A841 I846 A849 | I603-H605 PolarHBondContact O-N 2.87Å; I603-T606 WeakPolarHBondContact CD1-OG1 3.41Å; I603-T606 PolarHBondContact O-N 3Å; I603-T606 PolarHBondContact O-OG1 3.43Å; I603-I607 HydrophobicContact CG1-CD1 3.91Å; I603-I607 HydrophobicContact CG1-CG1 4.31Å; I603-I607 WeakPolarHBondContact O-CG1 3.44Å; I603-I607 PolarHBondContact O-N 2.87Å; I603-A841 HydrophobicContact CD1-CB 3.76Å; I603-I846 HydrophobicContact CB-CG2 4.23Å; I603-A849 HydrophobicContact CD1-CB 4.12Å; I603-A849 HydrophobicContact CG1-CB 3.54Å |
| 604 | E | 92.5 | Very high | 92.4 | Very high | 70 Ų | 70 | 21 Ų | 21 | 33% | 0.327 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -54.7 | -40 | 177.8 | -65.6 | 72.3 | -163 | 0 | 0 | 111.5 | V602 T606 I607 Q608 I857 | V602-E604 VanDerWaalsContact C-N 3.31Å; V602-E604 WeakPolarHBondContact CB-OE2 3.41Å; V602-E604 HydrophobicContact CG2-CB 4.26Å; V602-E604 WeakPolarHBondContact CG2-OE2 3.39Å; V602-E604 PolarHBondContact O-N 2.9Å; E604-T606 VanDerWaalsContact C-N 3.32Å; E604-T606 PolarHBondContact O-N 3.2Å; E604-I607 PolarHBondContact O-N 2.85Å; E604-Q608 WeakPolarHBondContact O-CB 3.33Å; E604-Q608 PolarHBondContact O-N 3.1Å; E604-I857 HydrophobicContact CG-CD1 4.14Å; E604-I857 HydrophobicContact CG-CG2 4.38Å |
| 605 | H | 94.2 | Very high | 93 | Very high | 28 Ų | 28 | 23.2 Ų | 23.2 | 13% | 0.13 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.6 | -38.6 | 178.7 | -59.7 | 174.6 | 0 | 0 | 0 | 111.6 | T595 L596 P600 S601 V602 I603 W609 | T595-H605 WeakPolarHBondContact CG2-CE1 3.35Å; T595-H605 WeakPolarHBondContact CG2-ND1 3.46Å; L596-H605 HydrophobicContact CD2-CB 4.39Å; L596-H605 WeakPolarHBondContact CD2-O 3.28Å; P600-H605 HydrophobicContact CB-CB 3.63Å; S601-H605 PolarHBondContact N-ND1 2.94Å; S601-H605 PolarHBondContact OG-CE1 3.4Å; S601-H605 PolarHBondContact OG-ND1 3.05Å; V602-H605 WeakPolarHBondContact O-CB 3.35Å; V602-H605 PolarHBondContact O-N 2.83Å; I603-H605 PolarHBondContact O-N 2.87Å; H605-W609 VanDerWaalsContact O-CB 3.28Å; H605-W609 WeakPolarHBondContact O-CB 3.22Å; H605-W609 PolarHBondContact O-N 2.67Å |
| 606 | T | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -75.6 | -33.2 | 179.6 | 74.8 | 0 | 0 | 0 | 0 | 112 | P600 I603 E604 W609 A610 S837 R840 A841 I846 | P600-T606 HydrophobicContact CB-CG2 3.93Å; P600-T606 HydrophobicContact CG-CG2 4.28Å; I603-T606 WeakPolarHBondContact CD1-OG1 3.41Å; I603-T606 PolarHBondContact O-N 3Å; I603-T606 PolarHBondContact O-OG1 3.43Å; E604-T606 VanDerWaalsContact C-N 3.32Å; E604-T606 PolarHBondContact O-N 3.2Å; T606-W609 PolarHBondContact O-N 3.01Å; T606-A610 WeakPolarHBondContact O-CB 3.23Å; T606-A610 PolarHBondContact O-N 3.44Å; T606-S837 PolarHBondContact OG1-O 2.88Å; T606-S837 PolarHBondContact OG1-OG 2.89Å; T606-R840 HydrophobicContact CG2-CB 4.41Å; T606-R840 HydrophobicContact CG2-CG 4.09Å; T606-A841 HydrophobicContact CG2-CB 4.34Å; T606-I846 HydrophobicContact CG2-CD1 4.02Å |
| 607 | I | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.9 | -49.8 | 175.6 | -66.2 | 168.4 | 0 | 0 | 0 | 110 | I603 E604 W609 A610 R611 V833 S837 A849 T854 I857 A858 | I603-I607 HydrophobicContact CG1-CD1 3.91Å; I603-I607 HydrophobicContact CG1-CG1 4.31Å; I603-I607 WeakPolarHBondContact O-CG1 3.44Å; I603-I607 PolarHBondContact O-N 2.87Å; E604-I607 PolarHBondContact O-N 2.85Å; I607-W609 VanDerWaalsContact C-N 3.28Å; I607-W609 PolarHBondContact O-N 3.24Å; I607-A610 WeakPolarHBondContact O-CB 3.45Å; I607-A610 PolarHBondContact O-N 2.92Å; I607-R611 PolarHBondContact O-N 3.08Å; I607-V833 HydrophobicContact CG2-CG1 4.26Å; I607-S837 WeakPolarHBondContact CG1-OG 3.42Å; I607-S837 PolarHBondContact N-OG 3.1Å; I607-A849 HydrophobicContact CD1-CB 4.28Å; I607-T854 HydrophobicContact CD1-CG2 4.49Å; I607-T854 HydrophobicContact CG1-CG2 4.29Å; I607-T854 HydrophobicContact CG2-CG2 4.18Å; I607-I857 HydrophobicContact CB-CG2 4.08Å; I607-I857 HydrophobicContact CD1-CB 3.96Å; I607-I857 HydrophobicContact CD1-CD1 3.55Å; I607-I857 HydrophobicContact CD1-CG1 4.35Å; I607-I857 HydrophobicContact CD1-CG2 4.08Å; I607-I857 HydrophobicContact CG2-CB 4.09Å; I607-I857 HydrophobicContact CG2-CG2 3.78Å; I607-A858 HydrophobicContact CG2-CB 3.68Å |
| 608 | Q | 94.9 | Very high | 94.2 | Very high | 45 Ų | 45 | 20.2 Ų | 20.2 | 21% | 0.21 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.9 | -40.3 | 176.1 | -175.5 | 59.6 | 51.5 | 0 | 0 | 110.9 | I591 L596 E604 A610 R611 D612 | I591-Q608 HydrophobicContact CD1-CB 4.08Å; I591-Q608 HydrophobicContact CD1-CG 4.32Å; L596-Q608 HydrophobicContact CD1-CG 3.98Å; L596-Q608 HydrophobicContact CD2-CB 3.75Å; L596-Q608 HydrophobicContact CD2-CG 3.86Å; E604-Q608 WeakPolarHBondContact O-CB 3.33Å; E604-Q608 PolarHBondContact O-N 3.1Å; Q608-A610 VanDerWaalsContact C-N 3.32Å; Q608-A610 PolarHBondContact O-N 3.34Å; Q608-R611 PolarHBondContact O-N 3.13Å; Q608-D612 PolarHBondContact NE2-OD1 3.33Å; Q608-D612 WeakPolarHBondContact O-CB 3.21Å; Q608-D612 PolarHBondContact O-N 3.32Å |
| 609 | W | 96.6 | Very high | 94.5 | Very high | 5 Ų | 5 | 23.1 Ų | 23.1 | 2% | 0.019 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.5 | -41.4 | 172.6 | 171.4 | 95.7 | 0 | 0 | 0 | 112.8 | H605 T606 I607 D612 K613 Y679 F680 A836 R840 | H605-W609 VanDerWaalsContact O-CB 3.28Å; H605-W609 WeakPolarHBondContact O-CB 3.22Å; H605-W609 PolarHBondContact O-N 2.67Å; T606-W609 PolarHBondContact O-N 3.01Å; I607-W609 VanDerWaalsContact C-N 3.28Å; I607-W609 PolarHBondContact O-N 3.24Å; W609-D612 WeakPolarHBondContact O-CB 3.25Å; W609-D612 PolarHBondContact O-N 2.9Å; W609-K613 HydrophobicContact CD2-CG 4.04Å; W609-K613 HydrophobicContact CE3-CG 4.31Å; W609-K613 HydrophobicContact CH2-CG 4.11Å; W609-K613 HydrophobicContact CZ2-CD 4.12Å; W609-K613 HydrophobicContact CZ2-CG 3.85Å; W609-K613 HydrophobicContact CZ3-CG 4.34Å; W609-K613 VanDerWaalsContact O-CG 3.24Å; W609-K613 WeakPolarHBondContact O-CG 3.37Å; W609-K613 PolarHBondContact O-N 3.14Å; W609-Y679 HydrophobicContact CH2-CD2 4.02Å; W609-Y679 HydrophobicContact CH2-CG 4.06Å; W609-Y679 HydrophobicContact CZ2-CD1 4.47Å; W609-Y679 HydrophobicContact CZ2-CD2 4.4Å; W609-Y679 HydrophobicContact CZ2-CG 4.11Å; W609-F680 AromaticContact CH2-CE1 3.75Å; W609-F680 HydrophobicContact CH2-CE1 3.75Å; W609-F680 HydrophobicContact CH2-CZ 4.07Å; W609-F680 HydrophobicContact CZ3-CE1 4.02Å; W609-F680 HydrophobicContact CZ3-CZ 4.34Å; W609-A836 HydrophobicContact CZ3-CB 4.17Å; W609-R840 HydrophobicContact CE3-CB 4.36Å; W609-R840 HydrophobicContact CE3-CG 4.44Å; W609-R840 HydrophobicContact CZ3-CB 4.21Å |
| 610 | A | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.7 | -40.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111 | T606 I607 Q608 K613 F614 V833 A836 | T606-A610 WeakPolarHBondContact O-CB 3.23Å; T606-A610 PolarHBondContact O-N 3.44Å; I607-A610 WeakPolarHBondContact O-CB 3.45Å; I607-A610 PolarHBondContact O-N 2.92Å; Q608-A610 VanDerWaalsContact C-N 3.32Å; Q608-A610 PolarHBondContact O-N 3.34Å; A610-K613 WeakPolarHBondContact O-CB 3.28Å; A610-K613 PolarHBondContact O-N 3.3Å; A610-K613 VanDerWaalsContact O-N 3.11Å; A610-F614 PolarHBondContact O-N 3.03Å; A610-V833 HydrophobicContact CB-CG1 3.92Å; A610-V833 WeakPolarHBondContact CB-O 3.41Å; A610-A836 HydrophobicContact CB-CB 3.97Å |
| 611 | R | 95.7 | Very high | 94.4 | Very high | 47 Ų | 47 | 29.2 Ų | 29.2 | 18% | 0.177 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 171.2 | -177.3 | 175.5 | 170.7 | 124.4 | 10.1 | 111.8 | I607 Q608 K613 F614 E615 A858 | I607-R611 PolarHBondContact O-N 3.08Å; Q608-R611 PolarHBondContact O-N 3.13Å; R611-K613 PolarHBondContact O-N 3.29Å; R611-F614 WeakPolarHBondContact O-CA 3.44Å; R611-F614 VanDerWaalsContact O-CB 3.31Å; R611-F614 WeakPolarHBondContact O-CB 3.46Å; R611-F614 PolarHBondContact O-N 2.97Å; R611-E615 IonicContact CZ-OE1 2.8Å; R611-E615 IonicContact NE-OE1 3.44Å; R611-E615 PolarHBondContact NE-OE1 2.84Å; R611-E615 IonicContact NH2-OE1 2.56Å; R611-E615 PolarHBondContact NH2-OE1 2.8Å; R611-E615 PolarHBondContact O-N 3.38Å; R611-A858 WeakPolarHBondContact CD-O 3.5Å; R611-A858 PolarHBondContact NH1-O 2.88Å |
| 612 | D | 94.6 | Very high | 94.7 | Very high | 33 Ų | 33 | 28.8 Ų | 28.8 | 18% | 0.176 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.3 | -34.3 | 174.1 | -86.4 | 34 | 0 | 0 | 0 | 112.5 | Q608 W609 S616 K779 | Q608-D612 PolarHBondContact NE2-OD1 3.33Å; Q608-D612 WeakPolarHBondContact O-CB 3.21Å; Q608-D612 PolarHBondContact O-N 3.32Å; W609-D612 WeakPolarHBondContact O-CB 3.25Å; W609-D612 PolarHBondContact O-N 2.9Å; D612-S616 WeakPolarHBondContact O-CB 3.4Å; D612-S616 PolarHBondContact O-N 3.18Å; D612-K779 IonicContact OD2-NZ 3.15Å |
| 613 | K | 96 | Very high | 94.8 | Very high | 39 Ų | 39 | 29.5 Ų | 29.5 | 17% | 0.17 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -72.8 | -36 | 176.6 | -68.6 | -74.2 | 158.8 | -74 | 0 | 111.9 | W609 A610 R611 S617 Y679 F832 | W609-K613 HydrophobicContact CD2-CG 4.04Å; W609-K613 HydrophobicContact CE3-CG 4.31Å; W609-K613 HydrophobicContact CH2-CG 4.11Å; W609-K613 HydrophobicContact CZ2-CD 4.12Å; W609-K613 HydrophobicContact CZ2-CG 3.85Å; W609-K613 HydrophobicContact CZ3-CG 4.34Å; W609-K613 VanDerWaalsContact O-CG 3.24Å; W609-K613 WeakPolarHBondContact O-CG 3.37Å; W609-K613 PolarHBondContact O-N 3.14Å; A610-K613 WeakPolarHBondContact O-CB 3.28Å; A610-K613 PolarHBondContact O-N 3.3Å; A610-K613 VanDerWaalsContact O-N 3.11Å; R611-K613 PolarHBondContact O-N 3.29Å; K613-S617 WeakPolarHBondContact O-CB 3.06Å; K613-S617 PolarHBondContact O-N 2.82Å; K613-S617 VanDerWaalsContact O-N 3.12Å; K613-S617 PolarHBondContact O-OG 3.49Å; K613-Y679 HydrophobicContact CD-CE1 4.02Å; K613-Y679 HydrophobicContact CD-CE2 4.13Å; K613-F832 HydrophobicContact CB-CE1 4.46Å; K613-F832 HydrophobicContact CB-CZ 4.41Å |
| 614 | F | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61 | -61.2 | 171.7 | 179.3 | -83.1 | 0 | 0 | 0 | 109.7 | A610 R611 S616 S617 F618 L733 L818 F820 H829 F832 V833 | A610-F614 PolarHBondContact O-N 3.03Å; R611-F614 WeakPolarHBondContact O-CA 3.44Å; R611-F614 VanDerWaalsContact O-CB 3.31Å; R611-F614 WeakPolarHBondContact O-CB 3.46Å; R611-F614 PolarHBondContact O-N 2.97Å; F614-S616 VanDerWaalsContact C-N 3.3Å; F614-S616 PolarHBondContact O-N 2.77Å; F614-S617 PolarHBondContact O-N 2.81Å; F614-F618 HydrophobicContact CB-CD2 4.23Å; F614-F618 HydrophobicContact CD1-CD2 4.48Å; F614-F618 AromaticContact CD2-CD2 3.5Å; F614-F618 HydrophobicContact CD2-CD2 3.5Å; F614-F618 VanDerWaalsContact CD2-CD2 3.5Å; F614-F618 AromaticContact CD2-CE2 3.92Å; F614-F618 HydrophobicContact CD2-CE2 3.92Å; F614-F618 AromaticContact CE2-CD2 3.86Å; F614-F618 HydrophobicContact CE2-CD2 3.86Å; F614-F618 HydrophobicContact CE2-CE2 4.49Å; F614-F618 AromaticContact CG-CD2 3.84Å; F614-F618 HydrophobicContact CG-CD2 3.84Å; F614-F618 HydrophobicContact CG-CE2 4.43Å; F614-F618 HydrophobicContact CZ-CD2 4.47Å; F614-F618 VanDerWaalsContact O-CD2 3.25Å; F614-F618 WeakPolarHBondContact O-CD2 3.4Å; F614-F618 PolarHBondContact O-N 3.36Å; F614-L733 HydrophobicContact CD2-CD1 3.92Å; F614-L733 HydrophobicContact CE2-CD1 3.71Å; F614-L733 HydrophobicContact CE2-CD2 4.1Å; F614-L818 HydrophobicContact CZ-CB 4.41Å; F614-F820 HydrophobicContact CD1-CB 4.08Å; F614-F820 AromaticContact CD1-CD2 3.81Å; F614-F820 HydrophobicContact CD1-CD2 3.81Å; F614-F820 HydrophobicContact CD1-CG 4.39Å; F614-F820 HydrophobicContact CE1-CB 3.67Å; F614-F820 AromaticContact CE1-CD2 3.78Å; F614-F820 HydrophobicContact CE1-CD2 3.78Å; F614-F820 HydrophobicContact CE1-CG 4.23Å; F614-F820 HydrophobicContact CE2-CD2 4.46Å; F614-F820 HydrophobicContact CG-CD2 4.22Å; F614-F820 HydrophobicContact CZ-CB 4.47Å; F614-F820 HydrophobicContact CZ-CD2 4.11Å; F614-H829 HydrophobicContact CE2-CB 4.02Å; F614-H829 AromaticContact CE2-CD2 3.49Å; F614-H829 VanDerWaalsContact CE2-CD2 3.49Å; F614-H829 WeakPolarHBondContact CE2-CD2 3.21Å; F614-H829 AromaticContact CE2-CG 3.8Å; F614-H829 HydrophobicContact CZ-CB 4.29Å; F614-H829 AromaticContact CZ-CD2 3.49Å; F614-H829 VanDerWaalsContact CZ-CD2 3.49Å; F614-H829 WeakPolarHBondContact CZ-CD2 3.09Å; F614-H829 AromaticContact CZ-CG 3.73Å; F614-H829 AromaticContact CZ-NE2 3.76Å; F614-F832 HydrophobicContact CB-CD1 3.95Å; F614-F832 HydrophobicContact CB-CE1 3.8Å; F614-F832 AromaticContact CD2-CD1 3.86Å; F614-F832 HydrophobicContact CD2-CD1 3.86Å; F614-F832 HydrophobicContact CD2-CE1 4.41Å; F614-F832 HydrophobicContact CG-CD1 4.41Å; F614-V833 HydrophobicContact CB-CG2 4.38Å |
| 615 | E | 94.9 | Very high | 94.7 | Very high | 47 Ų | 47 | 28.6 Ų | 28.6 | 22% | 0.22 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -57.8 | -43.2 | -176.9 | -70 | 178.6 | -179.6 | 0 | 0 | 111.3 | R611 S617 F619 H620 | R611-E615 IonicContact CZ-OE1 2.8Å; R611-E615 IonicContact NE-OE1 3.44Å; R611-E615 PolarHBondContact NE-OE1 2.84Å; R611-E615 IonicContact NH2-OE1 2.56Å; R611-E615 PolarHBondContact NH2-OE1 2.8Å; R611-E615 PolarHBondContact O-N 3.38Å; E615-S617 VanDerWaalsContact C-N 3.33Å; E615-S617 PolarHBondContact O-N 3.29Å; E615-F619 CarbonylContact O-C 3.56Å; E615-F619 WeakPolarHBondContact O-CA 3.43Å; E615-F619 WeakPolarHBondContact O-CB 3.49Å; E615-F619 PolarHBondContact O-N 3.33Å; E615-F619 VanDerWaalsContact O-N 3.1Å; E615-H620 PolarHBondContact O-CD2 2.98Å; E615-H620 PolarHBondContact O-N 2.62Å |
| 616 | S | 94 | Very high | 94.6 | Very high | 39 Ų | 39 | 28.1 Ų | 28.1 | 27% | 0.273 | 14% | 0.139 | S | C | . | . | I | π-helix | trans | -65.1 | -32.1 | 177.5 | -179.5 | 0 | 0 | 0 | 0 | 114.1 | D612 F614 K621 | D612-S616 WeakPolarHBondContact O-CB 3.4Å; D612-S616 PolarHBondContact O-N 3.18Å; F614-S616 VanDerWaalsContact C-N 3.3Å; F614-S616 PolarHBondContact O-N 2.77Å; S616-K621 WeakPolarHBondContact O-CD 3.06Å; S616-K621 VanDerWaalsContact O-CE 3.3Å; S616-K621 WeakPolarHBondContact O-CE 3.49Å; S616-K621 WeakPolarHBondContact O-CG 3.39Å; S616-K621 PolarHBondContact O-NZ 3.18Å; S616-K621 PolarHBondContact OG-NZ 2.91Å |
| 617 | S | 94.9 | Very high | 94.3 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -93.8 | -36.7 | -172.9 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | K613 F614 E615 | K613-S617 WeakPolarHBondContact O-CB 3.06Å; K613-S617 PolarHBondContact O-N 2.82Å; K613-S617 VanDerWaalsContact O-N 3.12Å; K613-S617 PolarHBondContact O-OG 3.49Å; F614-S617 PolarHBondContact O-N 2.81Å; E615-S617 VanDerWaalsContact C-N 3.33Å; E615-S617 PolarHBondContact O-N 3.29Å |
| 618 | F | 96.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -113.2 | -15.3 | -168.4 | -46.8 | -62.9 | 0 | 0 | 0 | 113.4 | F614 P622 L733 Y734 V737 P817 L818 F832 | F614-F618 HydrophobicContact CB-CD2 4.23Å; F614-F618 HydrophobicContact CD1-CD2 4.48Å; F614-F618 AromaticContact CD2-CD2 3.5Å; F614-F618 HydrophobicContact CD2-CD2 3.5Å; F614-F618 VanDerWaalsContact CD2-CD2 3.5Å; F614-F618 AromaticContact CD2-CE2 3.92Å; F614-F618 HydrophobicContact CD2-CE2 3.92Å; F614-F618 AromaticContact CE2-CD2 3.86Å; F614-F618 HydrophobicContact CE2-CD2 3.86Å; F614-F618 HydrophobicContact CE2-CE2 4.49Å; F614-F618 AromaticContact CG-CD2 3.84Å; F614-F618 HydrophobicContact CG-CD2 3.84Å; F614-F618 HydrophobicContact CG-CE2 4.43Å; F614-F618 HydrophobicContact CZ-CD2 4.47Å; F614-F618 VanDerWaalsContact O-CD2 3.25Å; F614-F618 WeakPolarHBondContact O-CD2 3.4Å; F614-F618 PolarHBondContact O-N 3.36Å; F618-P622 WeakPolarHBondContact O-CG 3.31Å; F618-L733 HydrophobicContact CD1-CB 3.73Å; F618-L733 HydrophobicContact CD2-CB 4.29Å; F618-L733 HydrophobicContact CD2-CD1 3.94Å; F618-L733 HydrophobicContact CE1-CB 3.5Å; F618-L733 VanDerWaalsContact CE1-CB 3.5Å; F618-L733 HydrophobicContact CE1-CD1 4.47Å; F618-L733 HydrophobicContact CE2-CB 4.1Å; F618-L733 HydrophobicContact CE2-CD1 3.54Å; F618-L733 HydrophobicContact CE2-CG 4.46Å; F618-L733 HydrophobicContact CG-CB 4.13Å; F618-L733 HydrophobicContact CZ-CB 3.7Å; F618-L733 HydrophobicContact CZ-CD1 3.84Å; F618-L733 HydrophobicContact CZ-CG 4.44Å; F618-Y734 HydrophobicContact CD1-CD1 4.34Å; F618-Y734 HydrophobicContact CD1-CE1 4.3Å; F618-Y734 AromaticContact CE1-CD1 3.88Å; F618-Y734 HydrophobicContact CE1-CD1 3.88Å; F618-Y734 HydrophobicContact CE1-CD2 4.05Å; F618-Y734 AromaticContact CE1-CE1 3.8Å; F618-Y734 HydrophobicContact CE1-CE1 3.8Å; F618-Y734 AromaticContact CE1-CE2 3.98Å; F618-Y734 HydrophobicContact CE1-CE2 3.98Å; F618-Y734 AromaticContact CE1-CG 3.99Å; F618-Y734 HydrophobicContact CE1-CG 3.99Å; F618-Y734 AromaticContact CE1-CZ 3.84Å; F618-Y734 HydrophobicContact CZ-CE2 4.34Å; F618-V737 HydrophobicContact CB-CG2 4.06Å; F618-V737 HydrophobicContact CD1-CG2 4.07Å; F618-P817 WeakPolarHBondContact O-CA 3.27Å; F618-L818 HydrophobicContact CB-CB 4.16Å; F618-L818 HydrophobicContact CB-CD1 4.2Å; F618-L818 HydrophobicContact CB-CG 4.35Å; F618-L818 PolarHBondContact O-N 3.33Å; F618-F832 HydrophobicContact CE2-CD1 4.2Å; F618-F832 HydrophobicContact CE2-CD2 4.31Å; F618-F832 AromaticContact CE2-CE1 3.95Å; F618-F832 HydrophobicContact CE2-CE1 3.95Å; F618-F832 HydrophobicContact CE2-CE2 4.05Å; F618-F832 HydrophobicContact CE2-CG 4.37Å; F618-F832 AromaticContact CE2-CZ 3.87Å; F618-F832 HydrophobicContact CE2-CZ 3.87Å; F618-F832 HydrophobicContact CZ-CD2 4.47Å; F618-F832 HydrophobicContact CZ-CE2 4.14Å; F618-F832 HydrophobicContact CZ-CZ 4.31Å |
| 619 | F | 95.4 | Very high | 93.9 | Very high | 72 Ų | 72 | 30.3 Ų | 30.3 | 32% | 0.316 | 16% | 0.156 | S | C | . | . | I | π-helix | trans | -113.5 | -68.1 | 175.5 | -173 | -106.4 | 0 | 0 | 0 | 112.4 | E615 K621 P622 S623 P817 L818 | E615-F619 CarbonylContact O-C 3.56Å; E615-F619 WeakPolarHBondContact O-CA 3.43Å; E615-F619 WeakPolarHBondContact O-CB 3.49Å; E615-F619 PolarHBondContact O-N 3.33Å; E615-F619 VanDerWaalsContact O-N 3.1Å; F619-K621 PolarHBondContact O-N 2.86Å; F619-P622 VanDerWaalsContact O-CD 3.3Å; F619-P622 WeakPolarHBondContact O-CD 3.47Å; F619-S623 WeakPolarHBondContact O-CB 3.24Å; F619-S623 PolarHBondContact O-N 2.94Å; F619-S623 PolarHBondContact O-OG 3.27Å; F619-P817 HydrophobicContact CD2-CB 3.96Å; F619-P817 HydrophobicContact CE2-CB 4.31Å; F619-L818 WeakPolarHBondContact CB-O 3.17Å |
| 620 | H | 92.1 | Very high | 93.5 | Very high | 87 Ų | 87 | 37 Ų | 37 | 40% | 0.403 | 19% | 0.188 | S | C | . | . | I | π-helix | trans | -61.8 | -45.9 | -170.2 | -65.5 | -56.6 | 0 | 0 | 0 | 113.9 | E615 S623 I624 | E615-H620 PolarHBondContact O-CD2 2.98Å; E615-H620 PolarHBondContact O-N 2.62Å; H620-S623 PolarHBondContact O-N 3.39Å; H620-I624 WeakPolarHBondContact O-CB 3.45Å; H620-I624 VanDerWaalsContact O-CG1 3.25Å; H620-I624 WeakPolarHBondContact O-CG1 3.39Å; H620-I624 PolarHBondContact O-N 3.09Å |
| 621 | K | 92.2 | Very high | 93.1 | Very high | 48 Ų | 48 | 41.6 Ų | 41.6 | 21% | 0.209 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.1 | -48.5 | 179 | -79.5 | 172.7 | -160.3 | 139.7 | 0 | 111.9 | S616 F619 S623 I624 Y625 L657 | S616-K621 WeakPolarHBondContact O-CD 3.06Å; S616-K621 VanDerWaalsContact O-CE 3.3Å; S616-K621 WeakPolarHBondContact O-CE 3.49Å; S616-K621 WeakPolarHBondContact O-CG 3.39Å; S616-K621 PolarHBondContact O-NZ 3.18Å; S616-K621 PolarHBondContact OG-NZ 2.91Å; F619-K621 PolarHBondContact O-N 2.86Å; K621-S623 VanDerWaalsContact C-N 3.34Å; K621-S623 PolarHBondContact O-N 3.07Å; K621-I624 PolarHBondContact O-N 3.38Å; K621-Y625 WeakPolarHBondContact O-CB 3.38Å; K621-Y625 PolarHBondContact O-N 3.46Å; K621-L657 HydrophobicContact CB-CD1 4.05Å; K621-L657 HydrophobicContact CD-CD2 4.37Å; K621-L657 HydrophobicContact CG-CD1 4.41Å |
| 622 | P | 93.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.4 | -42.2 | 170.5 | -32.6 | 40.3 | 0 | 0 | 0 | 114.2 | F618 F619 Y625 N626 V737 M815 P817 | F618-P622 WeakPolarHBondContact O-CG 3.31Å; F619-P622 VanDerWaalsContact O-CD 3.3Å; F619-P622 WeakPolarHBondContact O-CD 3.47Å; P622-Y625 WeakPolarHBondContact O-CB 3.5Å; P622-Y625 PolarHBondContact O-N 3.14Å; P622-N626 PolarHBondContact O-N 3.44Å; P622-V737 HydrophobicContact CB-CG1 4.31Å; P622-V737 HydrophobicContact CG-CG1 3.54Å; P622-V737 HydrophobicContact CG-CG2 4.3Å; P622-M815 HydrophobicContact CB-CB 3.88Å; P622-M815 HydrophobicContact CB-SD 4.29Å; P622-M815 HydrophobicContact CG-SD 4.25Å; P622-P817 HydrophobicContact CB-CB 4.01Å; P622-P817 HydrophobicContact CB-CG 3.93Å |
| 623 | S | 93.1 | Very high | 92.2 | Very high | 39 Ų | 39 | 44.5 Ų | 44.5 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.5 | -43.3 | 179.1 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | F619 H620 K621 Y625 N626 S627 | F619-S623 WeakPolarHBondContact O-CB 3.24Å; F619-S623 PolarHBondContact O-N 2.94Å; F619-S623 PolarHBondContact O-OG 3.27Å; H620-S623 PolarHBondContact O-N 3.39Å; K621-S623 VanDerWaalsContact C-N 3.34Å; K621-S623 PolarHBondContact O-N 3.07Å; S623-Y625 VanDerWaalsContact C-N 3.33Å; S623-N626 PolarHBondContact O-N 3.07Å; S623-S627 VanDerWaalsContact O-CB 3.31Å; S623-S627 WeakPolarHBondContact O-CB 3.42Å; S623-S627 PolarHBondContact O-N 2.96Å |
| 624 | I | 90.6 | Very high | 91.8 | Very high | 63 Ų | 63 | 44.9 Ų | 44.9 | 32% | 0.323 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.4 | -43 | 173.9 | -68.4 | 166.4 | 0 | 0 | 0 | 110.2 | H620 K621 S627 F628 V654 | H620-I624 WeakPolarHBondContact O-CB 3.45Å; H620-I624 VanDerWaalsContact O-CG1 3.25Å; H620-I624 WeakPolarHBondContact O-CG1 3.39Å; H620-I624 PolarHBondContact O-N 3.09Å; K621-I624 PolarHBondContact O-N 3.38Å; I624-S627 PolarHBondContact O-N 2.86Å; I624-F628 WeakPolarHBondContact O-CB 3.48Å; I624-F628 PolarHBondContact O-N 3.19Å; I624-V654 HydrophobicContact CG2-CG2 4.29Å |
| 625 | Y | 91.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.8 | -49.5 | 177.3 | -174.6 | -92.1 | 0 | 0 | 0 | 112.1 | K621 P622 S623 F628 W629 V654 L657 L658 G812 L813 M815 | K621-Y625 WeakPolarHBondContact O-CB 3.38Å; K621-Y625 PolarHBondContact O-N 3.46Å; P622-Y625 WeakPolarHBondContact O-CB 3.5Å; P622-Y625 PolarHBondContact O-N 3.14Å; S623-Y625 VanDerWaalsContact C-N 3.33Å; Y625-F628 PolarHBondContact O-N 3.2Å; Y625-W629 AromaticContact CD1-CD1 3.72Å; Y625-W629 AromaticContact CD2-NE1 3.76Å; Y625-W629 AromaticContact CE1-CD1 3.5Å; Y625-W629 VanDerWaalsContact CE1-CD1 3.5Å; Y625-W629 AromaticContact CE1-NE1 3.67Å; Y625-W629 AromaticContact CE2-CD1 3.9Å; Y625-W629 AromaticContact CE2-NE1 3.26Å; Y625-W629 VanDerWaalsContact CE2-NE1 3.26Å; Y625-W629 AromaticContact CZ-CD1 3.58Å; Y625-W629 AromaticContact CZ-NE1 3.21Å; Y625-W629 PolarHBondContact O-N 3.15Å; Y625-V654 HydrophobicContact CD2-CB 4.22Å; Y625-V654 HydrophobicContact CD2-CG1 3.49Å; Y625-V654 VanDerWaalsContact CD2-CG1 3.49Å; Y625-V654 HydrophobicContact CD2-CG2 4.46Å; Y625-V654 HydrophobicContact CE2-CG1 3.75Å; Y625-V654 HydrophobicContact CG-CG1 4.32Å; Y625-L657 HydrophobicContact CD2-CB 4.1Å; Y625-L657 HydrophobicContact CD2-CD1 4.39Å; Y625-L657 HydrophobicContact CE2-CB 4.34Å; Y625-L658 HydrophobicContact CE2-CB 4.21Å; Y625-L658 WeakPolarHBondContact OH-CD1 3.16Å; Y625-G812 PolarHBondContact OH-O 2.98Å; Y625-L813 WeakPolarHBondContact CE1-O 3.48Å; Y625-M815 HydrophobicContact CD1-CB 4.36Å; Y625-M815 HydrophobicContact CD1-CE 3.63Å; Y625-M815 HydrophobicContact CD1-CG 3.62Å; Y625-M815 HydrophobicContact CD1-SD 3.93Å; Y625-M815 HydrophobicContact CD2-CE 3.44Å; Y625-M815 VanDerWaalsContact CD2-CE 3.44Å; Y625-M815 HydrophobicContact CD2-SD 4.45Å; Y625-M815 HydrophobicContact CE1-CE 3.7Å; Y625-M815 HydrophobicContact CE1-CG 3.87Å; Y625-M815 HydrophobicContact CE1-SD 4.42Å; Y625-M815 HydrophobicContact CE2-CE 3.54Å; Y625-M815 HydrophobicContact CG-CE 3.48Å; Y625-M815 VanDerWaalsContact CG-CE 3.48Å; Y625-M815 HydrophobicContact CG-CG 4.26Å; Y625-M815 HydrophobicContact CG-SD 3.94Å |
| 626 | N | 92.6 | Very high | 90.9 | Very high | 18 Ų | 18 | 47.6 Ų | 47.6 | 10% | 0.096 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.9 | -45.9 | 178.9 | -71.1 | -6.3 | 0 | 0 | 0 | 112.1 | P622 S623 F628 W629 Q630 M815 | P622-N626 PolarHBondContact O-N 3.44Å; S623-N626 PolarHBondContact O-N 3.07Å; N626-F628 VanDerWaalsContact C-N 3.28Å; N626-F628 PolarHBondContact O-N 3.42Å; N626-W629 PolarHBondContact O-N 3.26Å; N626-Q630 WeakPolarHBondContact O-CB 3.37Å; N626-Q630 WeakPolarHBondContact O-CG 3.23Å; N626-Q630 PolarHBondContact O-N 3.43Å; N626-M815 PolarHBondContact ND2-O 3.4Å; N626-M815 PolarHBondContact OD1-N 2.97Å; N626-M815 PolarHBondContact OD1-O 3.17Å |
| 627 | S | 91.1 | Very high | 90.6 | Very high | 66 Ų | 66 | 49 Ų | 49 | 46% | 0.462 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.5 | -40.4 | 179.3 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | S623 I624 T631 | S623-S627 VanDerWaalsContact O-CB 3.31Å; S623-S627 WeakPolarHBondContact O-CB 3.42Å; S623-S627 PolarHBondContact O-N 2.96Å; I624-S627 PolarHBondContact O-N 2.86Å; S627-T631 WeakPolarHBondContact O-CB 3.45Å; S627-T631 PolarHBondContact O-N 3.19Å; S627-T631 VanDerWaalsContact O-N 3.09Å; S627-T631 PolarHBondContact O-OG1 3.37Å |
| 628 | F | 91.2 | Very high | 90.3 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 6% | 0.057 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.1 | -50.1 | 177.7 | -177.7 | -88.2 | 0 | 0 | 0 | 112.2 | I624 Y625 N626 T631 H632 V638 L648 V654 | I624-F628 WeakPolarHBondContact O-CB 3.48Å; I624-F628 PolarHBondContact O-N 3.19Å; Y625-F628 PolarHBondContact O-N 3.2Å; N626-F628 VanDerWaalsContact C-N 3.28Å; N626-F628 PolarHBondContact O-N 3.42Å; F628-T631 PolarHBondContact O-N 3.37Å; F628-H632 AromaticContact CD2-ND1 3.98Å; F628-H632 HydrophobicContact CE1-CB 4.38Å; F628-H632 AromaticContact CE2-ND1 3.84Å; F628-H632 PolarHBondContact O-N 3.19Å; F628-H632 PolarHBondContact O-ND1 2.69Å; F628-V638 HydrophobicContact CE1-CG1 4.27Å; F628-V638 HydrophobicContact CE1-CG2 4.26Å; F628-V638 HydrophobicContact CZ-CG1 4.08Å; F628-V638 HydrophobicContact CZ-CG2 4.37Å; F628-L648 HydrophobicContact CE2-CB 4.28Å; F628-V654 HydrophobicContact CB-CG1 4.38Å; F628-V654 HydrophobicContact CB-CG2 3.79Å; F628-V654 HydrophobicContact CD1-CB 4.23Å; F628-V654 HydrophobicContact CD1-CG1 3.72Å; F628-V654 HydrophobicContact CD1-CG2 4.32Å; F628-V654 HydrophobicContact CD2-CG2 4.45Å; F628-V654 HydrophobicContact CE1-CG1 4.31Å; F628-V654 HydrophobicContact CG-CB 4.32Å; F628-V654 HydrophobicContact CG-CG1 4.18Å; F628-V654 HydrophobicContact CG-CG2 3.93Å |
| 629 | W | 90.1 | Very high | 89.9 | Confident | 12 Ų | 12 | 49.8 Ų | 49.8 | 5% | 0.045 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -73.8 | -25.3 | -178.8 | -67.4 | 122.5 | 0 | 0 | 0 | 113.5 | Y625 N626 T631 H632 P633 V635 V638 V654 L658 L799 L813 | Y625-W629 AromaticContact CD1-CD1 3.72Å; Y625-W629 AromaticContact CD2-NE1 3.76Å; Y625-W629 AromaticContact CE1-CD1 3.5Å; Y625-W629 VanDerWaalsContact CE1-CD1 3.5Å; Y625-W629 AromaticContact CE1-NE1 3.67Å; Y625-W629 AromaticContact CE2-CD1 3.9Å; Y625-W629 AromaticContact CE2-NE1 3.26Å; Y625-W629 VanDerWaalsContact CE2-NE1 3.26Å; Y625-W629 AromaticContact CZ-CD1 3.58Å; Y625-W629 AromaticContact CZ-NE1 3.21Å; Y625-W629 PolarHBondContact O-N 3.15Å; N626-W629 PolarHBondContact O-N 3.26Å; W629-T631 VanDerWaalsContact C-N 3.34Å; W629-H632 CarbonylContact O-C 3.53Å; W629-H632 VanDerWaalsContact O-C 3.29Å; W629-P633 VanDerWaalsContact O-CA 3.3Å; W629-P633 WeakPolarHBondContact O-CA 3.38Å; W629-V635 HydrophobicContact CE3-CG2 4.24Å; W629-V635 HydrophobicContact CH2-CB 4.49Å; W629-V635 HydrophobicContact CH2-CG1 4.1Å; W629-V635 HydrophobicContact CH2-CG2 3.97Å; W629-V635 HydrophobicContact CZ3-CB 4.26Å; W629-V635 HydrophobicContact CZ3-CG1 4.34Å; W629-V635 HydrophobicContact CZ3-CG2 3.61Å; W629-V638 HydrophobicContact CZ3-CG2 4.1Å; W629-V654 HydrophobicContact CD2-CG1 4.44Å; W629-V654 HydrophobicContact CZ2-CG1 3.77Å; W629-L658 HydrophobicContact CZ2-CD2 4.23Å; W629-L799 HydrophobicContact CH2-CD1 4.43Å; W629-L813 HydrophobicContact CB-CB 4.4Å; W629-L813 HydrophobicContact CD2-CD2 3.82Å; W629-L813 HydrophobicContact CE3-CD2 4.23Å; W629-L813 HydrophobicContact CG-CB 4.21Å; W629-L813 HydrophobicContact CG-CD2 4.23Å; W629-L813 HydrophobicContact CH2-CD2 4.4Å; W629-L813 HydrophobicContact CZ2-CD2 3.98Å |
| 630 | Q | 88.8 | Confident | 89.6 | Confident | 147 Ų | 147 | 52.4 Ų | 52.4 | 69% | 0.687 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -66.3 | -38.1 | 168.4 | -75.7 | 172.5 | -1 | 0 | 0 | 111.8 | N626 | N626-Q630 WeakPolarHBondContact O-CB 3.37Å; N626-Q630 WeakPolarHBondContact O-CG 3.23Å; N626-Q630 PolarHBondContact O-N 3.43Å |
| 631 | T | 89 | Confident | 89.5 | Confident | 96 Ų | 96 | 52.6 Ų | 52.6 | 59% | 0.589 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -76.2 | -35 | 177.3 | -53.2 | 0 | 0 | 0 | 0 | 111.8 | S627 F628 W629 P633 | S627-T631 WeakPolarHBondContact O-CB 3.45Å; S627-T631 PolarHBondContact O-N 3.19Å; S627-T631 VanDerWaalsContact O-N 3.09Å; S627-T631 PolarHBondContact O-OG1 3.37Å; F628-T631 PolarHBondContact O-N 3.37Å; W629-T631 VanDerWaalsContact C-N 3.34Å; T631-P633 WeakPolarHBondContact O-CD 3.18Å |
| 632 | H | 88.7 | Confident | 89.2 | Confident | 41 Ų | 41 | 51.1 Ų | 51.1 | 19% | 0.19 | 28% | 0.277 | C | S | . | . | trans | -123.4 | 74.5 | -177.5 | -54.6 | 94.2 | 0 | 0 | 0 | 111.3 | F628 W629 S634 V638 | F628-H632 AromaticContact CD2-ND1 3.98Å; F628-H632 HydrophobicContact CE1-CB 4.38Å; F628-H632 AromaticContact CE2-ND1 3.84Å; F628-H632 PolarHBondContact O-N 3.19Å; F628-H632 PolarHBondContact O-ND1 2.69Å; W629-H632 CarbonylContact O-C 3.53Å; W629-H632 VanDerWaalsContact O-C 3.29Å; H632-S634 VanDerWaalsContact C-N 3.29Å; H632-S634 PolarHBondContact O-N 3.19Å; H632-V638 HydrophobicContact CB-CG2 3.55Å | ||
| 633 | P | 82.7 | Confident | 88.8 | Confident | 99 Ų | 99 | 56.3 Ų | 56.3 | 64% | 0.643 | 30% | 0.301 | S | S | * | . | trans | -70 | -20 | -171 | 25.5 | -34.5 | 0 | 0 | 0 | 114.7 | W629 T631 | W629-P633 VanDerWaalsContact O-CA 3.3Å; W629-P633 WeakPolarHBondContact O-CA 3.38Å; T631-P633 WeakPolarHBondContact O-CD 3.18Å | ||
| 634 | S | 87.9 | Confident | 88.5 | Confident | 47 Ų | 47 | 58.6 Ų | 58.6 | 33% | 0.329 | 32% | 0.323 | S | S | . | . | trans | -100.7 | 114.7 | 178.3 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | H632 D636 V637 V638 | H632-S634 VanDerWaalsContact C-N 3.29Å; H632-S634 PolarHBondContact O-N 3.19Å; S634-D636 VanDerWaalsContact C-N 3.33Å; S634-V637 PolarHBondContact O-N 2.87Å; S634-V637 WeakPolarHBondContact OG-CG2 3.33Å; S634-V637 PolarHBondContact OG-N 3.35Å; S634-V638 PolarHBondContact O-N 3.2Å | ||
| 635 | V | 86.6 | Confident | 88 | Confident | 8 Ų | 8 | 58.9 Ų | 58.9 | 5% | 0.048 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66 | -36.7 | 178.3 | -173.1 | 0 | 0 | 0 | 0 | 111.8 | W629 V637 V638 L639 L799 I803 V808 L813 | W629-V635 HydrophobicContact CE3-CG2 4.24Å; W629-V635 HydrophobicContact CH2-CB 4.49Å; W629-V635 HydrophobicContact CH2-CG1 4.1Å; W629-V635 HydrophobicContact CH2-CG2 3.97Å; W629-V635 HydrophobicContact CZ3-CB 4.26Å; W629-V635 HydrophobicContact CZ3-CG1 4.34Å; W629-V635 HydrophobicContact CZ3-CG2 3.61Å; V635-V637 VanDerWaalsContact C-N 3.32Å; V635-V637 PolarHBondContact O-N 3.38Å; V635-V638 WeakPolarHBondContact O-CB 3.48Å; V635-V638 PolarHBondContact O-N 3.37Å; V635-L639 PolarHBondContact O-N 2.96Å; V635-L799 HydrophobicContact CG1-CD1 3.67Å; V635-L799 HydrophobicContact CG1-CD2 4.36Å; V635-L799 HydrophobicContact CG1-CG 4.18Å; V635-I803 HydrophobicContact CG1-CD1 4Å; V635-I803 HydrophobicContact CG1-CG1 4.06Å; V635-V808 HydrophobicContact CB-CG1 4Å; V635-V808 HydrophobicContact CG1-CG1 4.32Å; V635-V808 HydrophobicContact CG1-CG2 4.39Å; V635-V808 HydrophobicContact CG2-CG1 3.37Å; V635-L813 HydrophobicContact CG2-CD1 3.69Å; V635-L813 HydrophobicContact CG2-CD2 4.11Å |
| 636 | D | 86.5 | Confident | 87.6 | Confident | 97 Ų | 97 | 62.9 Ų | 62.9 | 52% | 0.519 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 176.2 | -55.7 | -70 | 0 | 0 | 0 | 111.8 | S634 L639 Q640 | S634-D636 VanDerWaalsContact C-N 3.33Å; D636-L639 PolarHBondContact O-N 3.14Å; D636-Q640 WeakPolarHBondContact O-CB 3.45Å; D636-Q640 VanDerWaalsContact O-CG 3.3Å; D636-Q640 WeakPolarHBondContact O-CG 3.07Å; D636-Q640 PolarHBondContact O-N 3.36Å |
| 637 | V | 87.9 | Confident | 86.7 | Confident | 68 Ų | 68 | 66.2 Ų | 66.2 | 41% | 0.412 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 176.3 | 173.4 | 0 | 0 | 0 | 0 | 111 | S634 V635 Q640 R641 | S634-V637 PolarHBondContact O-N 2.87Å; S634-V637 WeakPolarHBondContact OG-CG2 3.33Å; S634-V637 PolarHBondContact OG-N 3.35Å; V635-V637 VanDerWaalsContact C-N 3.32Å; V635-V637 PolarHBondContact O-N 3.38Å; V637-Q640 PolarHBondContact O-N 3.08Å; V637-R641 HydrophobicContact CG1-CG 4.42Å; V637-R641 WeakPolarHBondContact O-CB 3.39Å; V637-R641 VanDerWaalsContact O-CG 3.27Å; V637-R641 WeakPolarHBondContact O-CG 3.4Å; V637-R641 PolarHBondContact O-N 2.67Å |
| 638 | V | 88.3 | Confident | 86.3 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.006 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 175.3 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | F628 W629 H632 S634 V635 Q640 R641 M642 L648 L799 | F628-V638 HydrophobicContact CE1-CG1 4.27Å; F628-V638 HydrophobicContact CE1-CG2 4.26Å; F628-V638 HydrophobicContact CZ-CG1 4.08Å; F628-V638 HydrophobicContact CZ-CG2 4.37Å; W629-V638 HydrophobicContact CZ3-CG2 4.1Å; H632-V638 HydrophobicContact CB-CG2 3.55Å; S634-V638 PolarHBondContact O-N 3.2Å; V635-V638 WeakPolarHBondContact O-CB 3.48Å; V635-V638 PolarHBondContact O-N 3.37Å; V638-Q640 PolarHBondContact O-N 3.29Å; V638-R641 PolarHBondContact O-N 2.95Å; V638-M642 HydrophobicContact CG1-SD 4.05Å; V638-M642 WeakPolarHBondContact O-CG 3.29Å; V638-M642 PolarHBondContact O-N 3.31Å; V638-L648 HydrophobicContact CB-CD1 4.48Å; V638-L648 HydrophobicContact CG1-CD1 3.95Å; V638-L648 HydrophobicContact CG2-CD1 4.5Å; V638-L799 HydrophobicContact CG1-CD2 4.13Å |
| 639 | L | 88.1 | Confident | 85.8 | Confident | 22 Ų | 22 | 70 Ų | 70 | 12% | 0.115 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 178.5 | -179.8 | 63.4 | 0 | 0 | 0 | 111.7 | V635 D636 R641 M642 Q643 I796 L799 E800 I803 | V635-L639 PolarHBondContact O-N 2.96Å; D636-L639 PolarHBondContact O-N 3.14Å; L639-R641 PolarHBondContact O-N 2.74Å; L639-M642 PolarHBondContact O-N 3.38Å; L639-Q643 HydrophobicContact CD1-CG 4.3Å; L639-Q643 WeakPolarHBondContact O-CB 3.29Å; L639-Q643 WeakPolarHBondContact O-CG 3.41Å; L639-Q643 PolarHBondContact O-N 3.32Å; L639-I796 HydrophobicContact CD1-CG2 3.95Å; L639-L799 HydrophobicContact CB-CD2 3.99Å; L639-L799 HydrophobicContact CD1-CB 4.44Å; L639-L799 HydrophobicContact CD1-CD2 4.15Å; L639-L799 HydrophobicContact CD1-CG 4.44Å; L639-E800 HydrophobicContact CD1-CG 3.81Å; L639-E800 HydrophobicContact CD2-CG 3.93Å; L639-I803 HydrophobicContact CD2-CD1 3.85Å |
| 640 | Q | 89.5 | Confident | 85.2 | Confident | 127 Ų | 127 | 70.2 Ų | 70.2 | 59% | 0.593 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60 | -44.3 | 178.2 | -75 | 175.7 | 5.5 | 0 | 0 | 112.5 | D636 V637 V638 Q643 A644 | D636-Q640 WeakPolarHBondContact O-CB 3.45Å; D636-Q640 VanDerWaalsContact O-CG 3.3Å; D636-Q640 WeakPolarHBondContact O-CG 3.07Å; D636-Q640 PolarHBondContact O-N 3.36Å; V637-Q640 PolarHBondContact O-N 3.08Å; V638-Q640 PolarHBondContact O-N 3.29Å; Q640-Q643 PolarHBondContact O-N 3.04Å; Q640-A644 WeakPolarHBondContact O-CB 3.28Å; Q640-A644 PolarHBondContact O-N 2.9Å |
| 641 | R | 88.6 | Confident | 84.9 | Confident | 92 Ų | 92 | 63.5 Ų | 63.5 | 35% | 0.347 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 179.2 | -69.9 | 178.9 | 89 | 176.4 | 7.1 | 111.7 | V637 V638 L639 A644 G645 E646 L648 | V637-R641 HydrophobicContact CG1-CG 4.42Å; V637-R641 WeakPolarHBondContact O-CB 3.39Å; V637-R641 VanDerWaalsContact O-CG 3.27Å; V637-R641 WeakPolarHBondContact O-CG 3.4Å; V637-R641 PolarHBondContact O-N 2.67Å; V638-R641 PolarHBondContact O-N 2.95Å; L639-R641 PolarHBondContact O-N 2.74Å; R641-A644 WeakPolarHBondContact O-CB 3.47Å; R641-A644 PolarHBondContact O-N 3.13Å; R641-G645 PolarHBondContact O-N 3.11Å; R641-E646 HydrophobicContact CB-CB 4.31Å; R641-E646 IonicContact CZ-OE1 3.59Å; R641-E646 IonicContact CZ-OE2 3.49Å; R641-E646 IonicContact NE-OE1 3.61Å; R641-E646 IonicContact NE-OE2 2.88Å; R641-E646 PolarHBondContact NE-OE2 3.38Å; R641-E646 VanDerWaalsContact NH2-CD 3.33Å; R641-E646 IonicContact NH2-OE1 3.82Å; R641-E646 PolarHBondContact NH2-OE1 3.5Å; R641-E646 IonicContact NH2-OE2 3.12Å; R641-E646 PolarHBondContact NH2-OE2 2.99Å; R641-E646 VanDerWaalsContact O-CB 3.28Å; R641-E646 WeakPolarHBondContact O-CB 3.34Å; R641-E646 PolarHBondContact O-N 2.88Å; R641-L648 HydrophobicContact CB-CD1 4.32Å |
| 642 | M | 86 | Confident | 84.6 | Confident | 17 Ų | 17 | 60.6 Ų | 60.6 | 8% | 0.084 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66 | -40.9 | 175.3 | -69.7 | -176.2 | 73.5 | 0 | 0 | 112.3 | V638 L639 A644 G645 L648 I655 A795 I796 | V638-M642 HydrophobicContact CG1-SD 4.05Å; V638-M642 WeakPolarHBondContact O-CG 3.29Å; V638-M642 PolarHBondContact O-N 3.31Å; L639-M642 PolarHBondContact O-N 3.38Å; M642-A644 PolarHBondContact O-N 3.27Å; M642-G645 PolarHBondContact O-N 2.87Å; M642-L648 HydrophobicContact CG-CD1 4.17Å; M642-I655 HydrophobicContact CE-CD1 3.66Å; M642-I655 HydrophobicContact SD-CD1 3.4Å; M642-I655 WeakPolarHBondContact SD-CD1 3.31Å; M642-A795 HydrophobicContact CE-CB 4.31Å; M642-I796 HydrophobicContact CB-CD1 4.3Å; M642-I796 HydrophobicContact CB-CG1 4.05Å; M642-I796 HydrophobicContact CE-CG1 4.2Å |
| 643 | Q | 86.6 | Confident | 84.3 | Confident | 109 Ų | 109 | 61.4 Ų | 61.4 | 51% | 0.509 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.9 | -29.6 | 173.8 | -74.4 | 175.6 | -17.5 | 0 | 0 | 112.3 | L639 Q640 G645 I796 E800 | L639-Q643 HydrophobicContact CD1-CG 4.3Å; L639-Q643 WeakPolarHBondContact O-CB 3.29Å; L639-Q643 WeakPolarHBondContact O-CG 3.41Å; L639-Q643 PolarHBondContact O-N 3.32Å; Q640-Q643 PolarHBondContact O-N 3.04Å; Q643-G645 PolarHBondContact O-N 3.4Å; Q643-I796 HydrophobicContact CG-CG2 4.04Å; Q643-E800 PolarHBondContact NE2-OE1 3.1Å |
| 644 | A | 86.3 | Confident | 84.6 | Confident | 87 Ų | 87 | 56.7 Ų | 56.7 | 72% | 0.719 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 0.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114 | Q640 R641 M642 | Q640-A644 WeakPolarHBondContact O-CB 3.28Å; Q640-A644 PolarHBondContact O-N 2.9Å; R641-A644 WeakPolarHBondContact O-CB 3.47Å; R641-A644 PolarHBondContact O-N 3.13Å; M642-A644 PolarHBondContact O-N 3.27Å |
| 645 | G | 80.1 | Confident | 84.6 | Confident | 70 Ų | 70 | 54.5 Ų | 54.5 | 72% | 0.722 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 15.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R641 M642 Q643 | R641-G645 PolarHBondContact O-N 3.11Å; M642-G645 PolarHBondContact O-N 2.87Å; Q643-G645 PolarHBondContact O-N 3.4Å |
| 646 | E | 82.4 | Confident | 84.6 | Confident | 83 Ų | 83 | 57.5 Ų | 57.5 | 39% | 0.388 | 32% | 0.321 | S | S | . | . | trans | -81.1 | 122.6 | 175.4 | -167.6 | 174.3 | 179.7 | 0 | 0 | 110.9 | R641 L648 | R641-E646 HydrophobicContact CB-CB 4.31Å; R641-E646 IonicContact CZ-OE1 3.59Å; R641-E646 IonicContact CZ-OE2 3.49Å; R641-E646 IonicContact NE-OE1 3.61Å; R641-E646 IonicContact NE-OE2 2.88Å; R641-E646 PolarHBondContact NE-OE2 3.38Å; R641-E646 VanDerWaalsContact NH2-CD 3.33Å; R641-E646 IonicContact NH2-OE1 3.82Å; R641-E646 PolarHBondContact NH2-OE1 3.5Å; R641-E646 IonicContact NH2-OE2 3.12Å; R641-E646 PolarHBondContact NH2-OE2 2.99Å; R641-E646 VanDerWaalsContact O-CB 3.28Å; R641-E646 WeakPolarHBondContact O-CB 3.34Å; R641-E646 PolarHBondContact O-N 2.88Å; E646-L648 PolarHBondContact O-N 2.79Å | ||
| 647 | S | 75.3 | Confident | 84.7 | Confident | 88 Ų | 88 | 54.3 Ų | 54.3 | 62% | 0.615 | 30% | 0.304 | S | S | * | . | trans | -82.7 | 104.5 | 176.7 | -165.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 648 | L | 81.5 | Confident | 84.7 | Confident | 12 Ų | 12 | 51.1 Ų | 51.1 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | trans | -87.9 | 120.7 | 175 | -65.1 | 172.6 | 0 | 0 | 0 | 109.5 | F628 V638 R641 M642 E646 G650 S651 | F628-L648 HydrophobicContact CE2-CB 4.28Å; V638-L648 HydrophobicContact CB-CD1 4.48Å; V638-L648 HydrophobicContact CG1-CD1 3.95Å; V638-L648 HydrophobicContact CG2-CD1 4.5Å; R641-L648 HydrophobicContact CB-CD1 4.32Å; M642-L648 HydrophobicContact CG-CD1 4.17Å; E646-L648 PolarHBondContact O-N 2.79Å; L648-G650 PolarHBondContact O-N 2.81Å; L648-S651 VanDerWaalsContact O-CB 3.26Å; L648-S651 WeakPolarHBondContact O-CB 3.24Å; L648-S651 PolarHBondContact O-N 3.08Å; L648-S651 VanDerWaalsContact O-N 3.1Å; L648-S651 PolarHBondContact O-OG 2.91Å | ||
| 649 | E | 80.4 | Confident | 84.5 | Confident | 146 Ų | 146 | 52.6 Ų | 52.6 | 68% | 0.682 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 126.9 | -178.7 | -167.8 | 173.6 | -177.4 | 0 | 0 | 111 | S651 | E649-S651 VanDerWaalsContact C-N 3.26Å; E649-S651 PolarHBondContact O-N 2.64Å |
| 650 | G | 77.6 | Confident | 84.4 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 19% | 0.186 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | -10.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | L648 F652 Q653 V654 | L648-G650 PolarHBondContact O-N 2.81Å; G650-F652 PolarHBondContact O-N 3.15Å; G650-Q653 PolarHBondContact O-N 3.2Å; G650-Q653 VanDerWaalsContact O-N 3.12Å; G650-V654 WeakPolarHBondContact O-CG2 3.37Å; G650-V654 PolarHBondContact O-N 2.79Å; G650-V654 VanDerWaalsContact O-N 3.15Å |
| 651 | S | 83.8 | Confident | 84.4 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -53.3 | -49.2 | -175.9 | 56.7 | 0 | 0 | 0 | 0 | 113.8 | L648 E649 Q653 V654 I655 | L648-S651 VanDerWaalsContact O-CB 3.26Å; L648-S651 WeakPolarHBondContact O-CB 3.24Å; L648-S651 PolarHBondContact O-N 3.08Å; L648-S651 VanDerWaalsContact O-N 3.1Å; L648-S651 PolarHBondContact O-OG 2.91Å; E649-S651 VanDerWaalsContact C-N 3.26Å; E649-S651 PolarHBondContact O-N 2.64Å; S651-Q653 VanDerWaalsContact C-N 3.29Å; S651-Q653 PolarHBondContact O-N 3.21Å; S651-V654 PolarHBondContact O-N 3.04Å; S651-I655 WeakPolarHBondContact O-CB 3.36Å; S651-I655 WeakPolarHBondContact O-CD1 3.43Å; S651-I655 VanDerWaalsContact O-CG1 3.22Å; S651-I655 WeakPolarHBondContact O-CG1 3.28Å; S651-I655 PolarHBondContact O-N 2.9Å |
| 652 | F | 82.1 | Confident | 84.5 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 15% | 0.149 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -54.8 | -44.7 | 178.7 | 175.8 | -95.5 | 0 | 0 | 0 | 112.5 | G650 K656 L787 E791 A795 | G650-F652 PolarHBondContact O-N 3.15Å; F652-K656 HydrophobicContact CE1-CD 4.16Å; F652-K656 HydrophobicContact CZ-CD 4.31Å; F652-K656 VanDerWaalsContact O-CB 3.28Å; F652-K656 WeakPolarHBondContact O-CB 3.22Å; F652-K656 PolarHBondContact O-N 3.19Å; F652-K656 VanDerWaalsContact O-N 3.07Å; F652-L787 HydrophobicContact CB-CD1 4.13Å; F652-L787 HydrophobicContact CB-CD2 4.1Å; F652-L787 HydrophobicContact CD1-CD2 3.81Å; F652-L787 HydrophobicContact CD2-CD2 4.15Å; F652-L787 HydrophobicContact CE1-CD2 4.25Å; F652-L787 HydrophobicContact CG-CD2 3.75Å; F652-E791 HydrophobicContact CD2-CB 4.32Å; F652-E791 WeakPolarHBondContact CD2-O 3.48Å; F652-E791 HydrophobicContact CE2-CB 3.67Å; F652-E791 HydrophobicContact CE2-CG 4.31Å; F652-E791 VanDerWaalsContact CE2-O 3.25Å; F652-E791 WeakPolarHBondContact CE2-O 3.46Å; F652-E791 HydrophobicContact CZ-CB 4.07Å; F652-E791 HydrophobicContact CZ-CG 4.25Å; F652-A795 HydrophobicContact CD2-CB 3.65Å; F652-A795 HydrophobicContact CE2-CB 4.24Å |
| 653 | Q | 82.9 | Confident | 84.6 | Confident | 58 Ų | 58 | 52.6 Ų | 52.6 | 27% | 0.271 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.7 | -39.2 | -176.4 | -161.7 | 171.2 | 25.6 | 0 | 0 | 111.2 | G650 S651 L657 | G650-Q653 PolarHBondContact O-N 3.2Å; G650-Q653 VanDerWaalsContact O-N 3.12Å; S651-Q653 VanDerWaalsContact C-N 3.29Å; S651-Q653 PolarHBondContact O-N 3.21Å; Q653-L657 VanDerWaalsContact O-CG 3.28Å; Q653-L657 WeakPolarHBondContact O-CG 3.27Å; Q653-L657 PolarHBondContact O-N 3.38Å; Q653-L657 VanDerWaalsContact O-N 3.17Å |
| 654 | V | 87.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.6 | -45.4 | 178.5 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | I624 Y625 F628 W629 G650 S651 K656 L657 L658 | I624-V654 HydrophobicContact CG2-CG2 4.29Å; Y625-V654 HydrophobicContact CD2-CB 4.22Å; Y625-V654 HydrophobicContact CD2-CG1 3.49Å; Y625-V654 VanDerWaalsContact CD2-CG1 3.49Å; Y625-V654 HydrophobicContact CD2-CG2 4.46Å; Y625-V654 HydrophobicContact CE2-CG1 3.75Å; Y625-V654 HydrophobicContact CG-CG1 4.32Å; F628-V654 HydrophobicContact CB-CG1 4.38Å; F628-V654 HydrophobicContact CB-CG2 3.79Å; F628-V654 HydrophobicContact CD1-CB 4.23Å; F628-V654 HydrophobicContact CD1-CG1 3.72Å; F628-V654 HydrophobicContact CD1-CG2 4.32Å; F628-V654 HydrophobicContact CD2-CG2 4.45Å; F628-V654 HydrophobicContact CE1-CG1 4.31Å; F628-V654 HydrophobicContact CG-CB 4.32Å; F628-V654 HydrophobicContact CG-CG1 4.18Å; F628-V654 HydrophobicContact CG-CG2 3.93Å; W629-V654 HydrophobicContact CD2-CG1 4.44Å; W629-V654 HydrophobicContact CZ2-CG1 3.77Å; G650-V654 WeakPolarHBondContact O-CG2 3.37Å; G650-V654 PolarHBondContact O-N 2.79Å; G650-V654 VanDerWaalsContact O-N 3.15Å; S651-V654 PolarHBondContact O-N 3.04Å; V654-K656 VanDerWaalsContact C-N 3.33Å; V654-K656 PolarHBondContact O-N 3.34Å; V654-L657 WeakPolarHBondContact O-CB 3.43Å; V654-L657 PolarHBondContact O-N 2.93Å; V654-L657 VanDerWaalsContact O-N 3.1Å; V654-L658 PolarHBondContact O-N 3.35Å |
| 655 | I | 88.1 | Confident | 85.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 178.3 | -66.6 | 163.6 | 0 | 0 | 0 | 111.1 | M642 S651 L657 L658 S659 A795 Q798 L799 | M642-I655 HydrophobicContact CE-CD1 3.66Å; M642-I655 HydrophobicContact SD-CD1 3.4Å; M642-I655 WeakPolarHBondContact SD-CD1 3.31Å; S651-I655 WeakPolarHBondContact O-CB 3.36Å; S651-I655 WeakPolarHBondContact O-CD1 3.43Å; S651-I655 VanDerWaalsContact O-CG1 3.22Å; S651-I655 WeakPolarHBondContact O-CG1 3.28Å; S651-I655 PolarHBondContact O-N 2.9Å; I655-L657 VanDerWaalsContact C-N 3.25Å; I655-L657 PolarHBondContact O-N 3.12Å; I655-L658 WeakPolarHBondContact O-CB 3.33Å; I655-L658 PolarHBondContact O-N 2.91Å; I655-S659 PolarHBondContact O-N 3.35Å; I655-S659 PolarHBondContact O-OG 2.8Å; I655-A795 HydrophobicContact CD1-CB 4.31Å; I655-A795 HydrophobicContact CG2-CB 4.34Å; I655-A795 VanDerWaalsContact CG2-O 3.28Å; I655-A795 WeakPolarHBondContact CG2-O 3.28Å; I655-Q798 HydrophobicContact CG2-CB 4Å; I655-L799 HydrophobicContact CD1-CB 4.36Å; I655-L799 HydrophobicContact CD1-CD2 4.01Å; I655-L799 HydrophobicContact CG1-CB 4.44Å; I655-L799 HydrophobicContact CG1-CD1 4.23Å; I655-L799 HydrophobicContact CG1-CD2 4.31Å; I655-L799 HydrophobicContact CG2-CB 3.94Å |
| 656 | K | 86.6 | Confident | 86 | Confident | 71 Ų | 71 | 50.1 Ų | 50.1 | 31% | 0.309 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.6 | -30.5 | 175.2 | -171.7 | 172.9 | -167.7 | 154.6 | 0 | 113.2 | F652 V654 S659 R660 | F652-K656 HydrophobicContact CE1-CD 4.16Å; F652-K656 HydrophobicContact CZ-CD 4.31Å; F652-K656 VanDerWaalsContact O-CB 3.28Å; F652-K656 WeakPolarHBondContact O-CB 3.22Å; F652-K656 PolarHBondContact O-N 3.19Å; F652-K656 VanDerWaalsContact O-N 3.07Å; V654-K656 VanDerWaalsContact C-N 3.33Å; V654-K656 PolarHBondContact O-N 3.34Å; K656-S659 PolarHBondContact O-OG 3.14Å; K656-R660 WeakPolarHBondContact O-CB 3.29Å; K656-R660 WeakPolarHBondContact O-CG 3.44Å; K656-R660 PolarHBondContact O-N 3.16Å |
| 657 | L | 88.1 | Confident | 86.6 | Confident | 31 Ų | 31 | 50 Ų | 50 | 16% | 0.162 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -74.2 | -40.6 | 173.5 | -72.7 | 168.6 | 0 | 0 | 0 | 111.2 | K621 Y625 Q653 V654 I655 R660 R661 M815 | K621-L657 HydrophobicContact CB-CD1 4.05Å; K621-L657 HydrophobicContact CD-CD2 4.37Å; K621-L657 HydrophobicContact CG-CD1 4.41Å; Y625-L657 HydrophobicContact CD2-CB 4.1Å; Y625-L657 HydrophobicContact CD2-CD1 4.39Å; Y625-L657 HydrophobicContact CE2-CB 4.34Å; Q653-L657 VanDerWaalsContact O-CG 3.28Å; Q653-L657 WeakPolarHBondContact O-CG 3.27Å; Q653-L657 PolarHBondContact O-N 3.38Å; Q653-L657 VanDerWaalsContact O-N 3.17Å; V654-L657 WeakPolarHBondContact O-CB 3.43Å; V654-L657 PolarHBondContact O-N 2.93Å; V654-L657 VanDerWaalsContact O-N 3.1Å; I655-L657 VanDerWaalsContact C-N 3.25Å; I655-L657 PolarHBondContact O-N 3.12Å; L657-R660 PolarHBondContact O-N 3.46Å; L657-R661 PolarHBondContact O-N 3.03Å; L657-R661 VanDerWaalsContact O-N 3.09Å; L657-M815 HydrophobicContact CB-CE 4.03Å |
| 658 | L | 87.9 | Confident | 87.6 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.1 | -47.9 | 175.2 | 177.5 | 64.9 | 0 | 0 | 0 | 111.4 | Y625 W629 V654 I655 R660 R661 L799 A802 V808 | Y625-L658 HydrophobicContact CE2-CB 4.21Å; Y625-L658 WeakPolarHBondContact OH-CD1 3.16Å; W629-L658 HydrophobicContact CZ2-CD2 4.23Å; V654-L658 PolarHBondContact O-N 3.35Å; I655-L658 WeakPolarHBondContact O-CB 3.33Å; I655-L658 PolarHBondContact O-N 2.91Å; L658-R660 VanDerWaalsContact C-N 3.25Å; L658-R660 PolarHBondContact O-N 3.26Å; L658-R661 VanDerWaalsContact O-CB 3.28Å; L658-R661 WeakPolarHBondContact O-CB 3.28Å; L658-R661 PolarHBondContact O-N 3.39Å; L658-L799 HydrophobicContact CD2-CD1 3.87Å; L658-A802 HydrophobicContact CD2-CB 3.91Å; L658-A802 HydrophobicContact CG-CB 4.08Å; L658-V808 HydrophobicContact CD2-CG2 4.28Å |
| 659 | S | 85.3 | Confident | 88.3 | Confident | 31 Ų | 31 | 45.2 Ų | 45.2 | 22% | 0.217 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.8 | -31.4 | -178 | 67.9 | 0 | 0 | 0 | 0 | 113 | I655 K656 Q798 | I655-S659 PolarHBondContact O-N 3.35Å; I655-S659 PolarHBondContact O-OG 2.8Å; K656-S659 PolarHBondContact O-OG 3.14Å; S659-Q798 PolarHBondContact OG-OE1 3.43Å |
| 660 | R | 85.8 | Confident | 89 | Confident | 154 Ų | 154 | 40.6 Ų | 40.6 | 58% | 0.581 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 9 | -179.2 | -61 | 177.9 | -176.3 | -157.9 | -3.8 | 113.8 | K656 L657 L658 | K656-R660 WeakPolarHBondContact O-CB 3.29Å; K656-R660 WeakPolarHBondContact O-CG 3.44Å; K656-R660 PolarHBondContact O-N 3.16Å; L657-R660 PolarHBondContact O-N 3.46Å; L658-R660 VanDerWaalsContact C-N 3.25Å; L658-R660 PolarHBondContact O-N 3.26Å |
| 661 | R | 88.9 | Confident | 89.9 | Confident | 42 Ų | 42 | 41.5 Ų | 41.5 | 16% | 0.158 | 20% | 0.204 | C | C | . | . | trans | -59.9 | 126.2 | -179.3 | -178.1 | 168.6 | -172.7 | 126.6 | 4.2 | 110.3 | L657 L658 Y738 G812 Q814 | L657-R661 PolarHBondContact O-N 3.03Å; L657-R661 VanDerWaalsContact O-N 3.09Å; L658-R661 VanDerWaalsContact O-CB 3.28Å; L658-R661 WeakPolarHBondContact O-CB 3.28Å; L658-R661 PolarHBondContact O-N 3.39Å; R661-Y738 HydrophobicContact CB-CE1 4.38Å; R661-Y738 HydrophobicContact CG-CD1 3.71Å; R661-Y738 HydrophobicContact CG-CE1 3.86Å; R661-Y738 PolarHBondContact NH2-O 3.07Å; R661-G812 PolarHBondContact NH1-O 3.14Å; R661-Q814 PolarHBondContact NH1-O 2.92Å; R661-Q814 PolarHBondContact NH2-O 2.91Å | ||
| 662 | P | 91.4 | Very high | 90.5 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | trans | -71.1 | 146.5 | 171 | 30.1 | -32 | 0 | 0 | 0 | 110.1 | Q667 I671 Y738 I740 | P662-Q667 VanDerWaalsContact CA-OE1 3.28Å; P662-Q667 HydrophobicContact CB-CB 3.74Å; P662-I671 HydrophobicContact CB-CD1 3.95Å; P662-I671 HydrophobicContact CG-CD1 3.82Å; P662-Y738 HydrophobicContact CG-CD1 4.46Å; P662-Y738 HydrophobicContact CG-CD2 3.32Å; P662-Y738 HydrophobicContact CG-CE2 3.74Å; P662-Y738 HydrophobicContact CG-CG 3.77Å; P662-I740 HydrophobicContact CB-CD1 3.84Å; P662-I740 HydrophobicContact CG-CD1 3.76Å; P662-I740 WeakPolarHBondContact O-CD1 3.48Å | ||
| 663 | G | 88.7 | Confident | 91.2 | Very high | 58 Ų | 58 | 40.8 Ų | 40.8 | 60% | 0.598 | 20% | 0.199 | S | C | * | . | trans | -114.3 | -6.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 664 | Q | 92.9 | Very high | 91.8 | Very high | 126 Ų | 126 | 41.3 Ų | 41.3 | 59% | 0.589 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -147.8 | 155.6 | -177.3 | -63.9 | -179.8 | -7.3 | 0 | 0 | 110.9 | K666 Q667 C668 | Q664-K666 VanDerWaalsContact C-N 3.27Å; Q664-K666 PolarHBondContact O-N 3.46Å; Q664-Q667 WeakPolarHBondContact O-CB 3.16Å; Q664-Q667 PolarHBondContact O-N 2.76Å; Q664-C668 PolarHBondContact O-N 3.23Å |
| 665 | W | 94.4 | Very high | 92.2 | Very high | 15 Ų | 15 | 43.3 Ų | 43.3 | 6% | 0.057 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -50.4 | -43.9 | 178.1 | 174.3 | -113.1 | 0 | 0 | 0 | 113.6 | Q667 C668 I669 A731 R732 A735 Y742 D746 L747 | W665-Q667 PolarHBondContact O-N 2.88Å; W665-Q667 VanDerWaalsContact O-N 3.13Å; W665-C668 HydrophobicContact CE3-CB 4.35Å; W665-C668 WeakPolarHBondContact O-CA 3.3Å; W665-C668 VanDerWaalsContact O-CB 3.31Å; W665-C668 WeakPolarHBondContact O-CB 3.26Å; W665-C668 PolarHBondContact O-N 3.38Å; W665-I669 HydrophobicContact CH2-CD1 4.49Å; W665-I669 HydrophobicContact CZ2-CD1 3.78Å; W665-I669 HydrophobicContact CZ2-CG1 4.12Å; W665-I669 PolarHBondContact O-N 2.66Å; W665-A731 HydrophobicContact CH2-CB 3.69Å; W665-A731 HydrophobicContact CZ2-CB 4.19Å; W665-A731 HydrophobicContact CZ3-CB 4.06Å; W665-R732 HydrophobicContact CH2-CG 3.84Å; W665-R732 HydrophobicContact CZ3-CG 4.35Å; W665-A735 HydrophobicContact CE3-CB 3.9Å; W665-A735 HydrophobicContact CZ3-CB 3.79Å; W665-Y742 HydrophobicContact CD2-CG 4.33Å; W665-Y742 AromaticContact CE3-CD1 3.88Å; W665-Y742 HydrophobicContact CE3-CD1 3.88Å; W665-Y742 AromaticContact CE3-CG 3.82Å; W665-Y742 HydrophobicContact CE3-CG 3.82Å; W665-Y742 HydrophobicContact CH2-CD2 4.49Å; W665-Y742 HydrophobicContact CH2-CG 4.35Å; W665-Y742 AromaticContact CZ3-CD1 3.75Å; W665-Y742 HydrophobicContact CZ3-CD1 3.75Å; W665-Y742 HydrophobicContact CZ3-CD2 4.4Å; W665-Y742 HydrophobicContact CZ3-CE1 4.25Å; W665-Y742 AromaticContact CZ3-CG 3.83Å; W665-Y742 HydrophobicContact CZ3-CG 3.83Å; W665-D746 HydrophobicContact CG-CB 4.33Å; W665-D746 PolarHBondContact NE1-O 3.31Å; W665-D746 VanDerWaalsContact NE1-O 3.12Å; W665-L747 HydrophobicContact CH2-CD2 3.84Å; W665-L747 HydrophobicContact CZ2-CD2 3.66Å |
| 666 | K | 95.1 | Very high | 92.7 | Very high | 73 Ų | 73 | 43.3 Ų | 43.3 | 32% | 0.317 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -51.3 | -40.1 | 176.8 | -174.4 | 175.2 | -175.6 | 172.6 | 0 | 112.4 | Q664 I669 H670 I755 D758 | Q664-K666 VanDerWaalsContact C-N 3.27Å; Q664-K666 PolarHBondContact O-N 3.46Å; K666-I669 PolarHBondContact O-N 3.14Å; K666-H670 WeakPolarHBondContact CE-NE2 3.44Å; K666-H670 PolarHBondContact O-CD2 2.88Å; K666-H670 PolarHBondContact O-N 3.39Å; K666-I755 HydrophobicContact CB-CD1 4.45Å; K666-I755 HydrophobicContact CB-CG2 4.45Å; K666-I755 HydrophobicContact CD-CG1 4.5Å; K666-I755 HydrophobicContact CD-CG2 4.5Å; K666-I755 HydrophobicContact CG-CB 4.36Å; K666-I755 HydrophobicContact CG-CD1 4.44Å; K666-I755 HydrophobicContact CG-CG1 4.04Å; K666-I755 HydrophobicContact CG-CG2 3.59Å; K666-D758 IonicContact NZ-OD2 2.66Å; K666-D758 PolarHBondContact NZ-OD2 3.31Å |
| 667 | Q | 94.3 | Very high | 93.1 | Very high | 80 Ų | 80 | 40.5 Ų | 40.5 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -73.9 | -30.2 | -179.1 | -61.7 | 177.8 | -7.1 | 0 | 0 | 112 | P662 Q664 W665 H670 I671 | P662-Q667 VanDerWaalsContact CA-OE1 3.28Å; P662-Q667 HydrophobicContact CB-CB 3.74Å; Q664-Q667 WeakPolarHBondContact O-CB 3.16Å; Q664-Q667 PolarHBondContact O-N 2.76Å; W665-Q667 PolarHBondContact O-N 2.88Å; W665-Q667 VanDerWaalsContact O-N 3.13Å; Q667-H670 WeakPolarHBondContact O-CB 3.46Å; Q667-H670 PolarHBondContact O-N 2.99Å; Q667-I671 VanDerWaalsContact O-CG1 3.29Å; Q667-I671 WeakPolarHBondContact O-CG1 3.49Å; Q667-I671 PolarHBondContact O-N 2.89Å |
| 668 | C | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -43.4 | 171.1 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | Q664 W665 I671 A672 A731 | Q664-C668 PolarHBondContact O-N 3.23Å; W665-C668 HydrophobicContact CE3-CB 4.35Å; W665-C668 WeakPolarHBondContact O-CA 3.3Å; W665-C668 VanDerWaalsContact O-CB 3.31Å; W665-C668 WeakPolarHBondContact O-CB 3.26Å; W665-C668 PolarHBondContact O-N 3.38Å; C668-I671 PolarHBondContact O-N 2.93Å; C668-A672 PolarHBondContact O-N 3.17Å; C668-A731 HydrophobicContact CB-CB 4.12Å |
| 669 | I | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.8 | -42.1 | 174.1 | -63.7 | -74.3 | 0 | 0 | 0 | 111.1 | W665 K666 I671 A672 R673 I727 I728 A731 V752 I755 L756 | W665-I669 HydrophobicContact CH2-CD1 4.49Å; W665-I669 HydrophobicContact CZ2-CD1 3.78Å; W665-I669 HydrophobicContact CZ2-CG1 4.12Å; W665-I669 PolarHBondContact O-N 2.66Å; K666-I669 PolarHBondContact O-N 3.14Å; I669-I671 VanDerWaalsContact C-N 3.33Å; I669-I671 PolarHBondContact O-N 3.18Å; I669-A672 PolarHBondContact O-N 2.86Å; I669-R673 PolarHBondContact O-N 2.9Å; I669-I727 HydrophobicContact CD1-CG2 3.85Å; I669-I727 HydrophobicContact CG2-CG2 4.16Å; I669-I728 HydrophobicContact CD1-CD1 4.45Å; I669-A731 HydrophobicContact CD1-CB 3.49Å; I669-A731 VanDerWaalsContact CD1-CB 3.49Å; I669-A731 HydrophobicContact CG1-CB 4.06Å; I669-V752 HydrophobicContact CD1-CG2 4.42Å; I669-I755 HydrophobicContact CB-CG2 3.79Å; I669-I755 HydrophobicContact CG2-CB 4.32Å; I669-I755 HydrophobicContact CG2-CG2 3.54Å; I669-L756 HydrophobicContact CG2-CD2 3.62Å; I669-L756 HydrophobicContact CG2-CG 4Å |
| 670 | H | 95.8 | Very high | 94.4 | Very high | 50 Ų | 50 | 43 Ų | 43 | 23% | 0.231 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.2 | -45.9 | 174.5 | -68.7 | -167.6 | 0 | 0 | 0 | 111.5 | K666 Q667 R673 L674 V759 | K666-H670 WeakPolarHBondContact CE-NE2 3.44Å; K666-H670 PolarHBondContact O-CD2 2.88Å; K666-H670 PolarHBondContact O-N 3.39Å; Q667-H670 WeakPolarHBondContact O-CB 3.46Å; Q667-H670 PolarHBondContact O-N 2.99Å; H670-R673 PolarHBondContact O-N 2.78Å; H670-L674 VanDerWaalsContact O-CG 3.3Å; H670-L674 WeakPolarHBondContact O-CG 3.49Å; H670-L674 PolarHBondContact O-N 2.81Å; H670-V759 HydrophobicContact CB-CG2 4.38Å; H670-V759 WeakPolarHBondContact CD2-CG2 3.3Å |
| 671 | I | 95.4 | Very high | 94.9 | Very high | 36 Ų | 36 | 38.3 Ų | 38.3 | 19% | 0.185 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.2 | -48.8 | 177 | -67.1 | 165.4 | 0 | 0 | 0 | 109.8 | P662 Q667 C668 I669 R673 L674 K675 Y734 | P662-I671 HydrophobicContact CB-CD1 3.95Å; P662-I671 HydrophobicContact CG-CD1 3.82Å; Q667-I671 VanDerWaalsContact O-CG1 3.29Å; Q667-I671 WeakPolarHBondContact O-CG1 3.49Å; Q667-I671 PolarHBondContact O-N 2.89Å; C668-I671 PolarHBondContact O-N 2.93Å; I669-I671 VanDerWaalsContact C-N 3.33Å; I669-I671 PolarHBondContact O-N 3.18Å; I671-R673 VanDerWaalsContact C-N 3.35Å; I671-R673 PolarHBondContact O-N 3.19Å; I671-L674 PolarHBondContact O-N 3.29Å; I671-K675 HydrophobicContact CG2-CG 4.33Å; I671-K675 VanDerWaalsContact O-CG 3.31Å; I671-K675 WeakPolarHBondContact O-CG 3.34Å; I671-K675 PolarHBondContact O-N 3.22Å; I671-Y734 HydrophobicContact CB-CD2 4.42Å; I671-Y734 HydrophobicContact CG2-CD2 3.76Å; I671-Y734 HydrophobicContact CG2-CE1 4.38Å; I671-Y734 HydrophobicContact CG2-CE2 3.45Å; I671-Y734 VanDerWaalsContact CG2-CE2 3.45Å; I671-Y734 HydrophobicContact CG2-CG 4.35Å |
| 672 | A | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.4 | -46.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | C668 I669 L674 K675 F676 I727 A730 A731 | C668-A672 PolarHBondContact O-N 3.17Å; I669-A672 PolarHBondContact O-N 2.86Å; A672-L674 PolarHBondContact O-N 2.94Å; A672-K675 WeakPolarHBondContact O-CB 3.5Å; A672-K675 PolarHBondContact O-N 3Å; A672-K675 VanDerWaalsContact O-N 3.13Å; A672-F676 PolarHBondContact O-N 3.35Å; A672-I727 HydrophobicContact CB-CD1 4.11Å; A672-I727 HydrophobicContact CB-CG2 4.41Å; A672-A730 HydrophobicContact CB-CB 3.89Å; A672-A731 HydrophobicContact CB-CB 4.29Å |
| 673 | R | 96.8 | Very high | 95.2 | Very high | 26 Ų | 26 | 42.5 Ų | 42.5 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.2 | -39.6 | 177.8 | -179.6 | 62.2 | -169.7 | 86.9 | -2.8 | 113.1 | I669 H670 I671 K675 F676 E677 I727 L756 V759 I761 | I669-R673 PolarHBondContact O-N 2.9Å; H670-R673 PolarHBondContact O-N 2.78Å; I671-R673 VanDerWaalsContact C-N 3.35Å; I671-R673 PolarHBondContact O-N 3.19Å; R673-K675 VanDerWaalsContact C-N 3.33Å; R673-F676 WeakPolarHBondContact O-CB 3.35Å; R673-F676 PolarHBondContact O-N 3.4Å; R673-E677 IonicContact CZ-OE2 2.9Å; R673-E677 VanDerWaalsContact CZ-OE2 3.31Å; R673-E677 IonicContact NH1-OE2 2.64Å; R673-E677 PolarHBondContact NH1-OE2 2.94Å; R673-E677 IonicContact NH2-OE2 2.67Å; R673-E677 PolarHBondContact NH2-OE2 2.92Å; R673-E677 PolarHBondContact O-N 3.01Å; R673-E677 VanDerWaalsContact O-N 3.17Å; R673-I727 HydrophobicContact CB-CD1 4.1Å; R673-L756 HydrophobicContact CB-CD2 3.61Å; R673-L756 HydrophobicContact CG-CD2 3.79Å; R673-V759 HydrophobicContact CB-CG1 4.34Å; R673-V759 HydrophobicContact CG-CB 4.43Å; R673-V759 HydrophobicContact CG-CG1 3.99Å; R673-I761 HydrophobicContact CG-CD1 3.8Å |
| 674 | L | 96.3 | Very high | 95.4 | Very high | 68 Ų | 68 | 39.7 Ų | 39.7 | 36% | 0.356 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -68.3 | -33.1 | 174.8 | -68.7 | 174.4 | 0 | 0 | 0 | 112.1 | H670 I671 A672 K678 I761 | H670-L674 VanDerWaalsContact O-CG 3.3Å; H670-L674 WeakPolarHBondContact O-CG 3.49Å; H670-L674 PolarHBondContact O-N 2.81Å; I671-L674 PolarHBondContact O-N 3.29Å; A672-L674 PolarHBondContact O-N 2.94Å; L674-K678 WeakPolarHBondContact O-CB 3.33Å; L674-K678 PolarHBondContact O-N 2.89Å; L674-K678 VanDerWaalsContact O-N 3.07Å; L674-I761 HydrophobicContact CD2-CD1 4.33Å |
| 675 | K | 96.3 | Very high | 95.5 | Very high | 43 Ų | 43 | 36.2 Ų | 36.2 | 19% | 0.187 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.8 | -43 | 172.9 | -67.2 | -59.5 | -176.4 | 164.3 | 0 | 111.8 | I671 A672 R673 E677 K678 Y679 F726 Y734 | I671-K675 HydrophobicContact CG2-CG 4.33Å; I671-K675 VanDerWaalsContact O-CG 3.31Å; I671-K675 WeakPolarHBondContact O-CG 3.34Å; I671-K675 PolarHBondContact O-N 3.22Å; A672-K675 WeakPolarHBondContact O-CB 3.5Å; A672-K675 PolarHBondContact O-N 3Å; A672-K675 VanDerWaalsContact O-N 3.13Å; R673-K675 VanDerWaalsContact C-N 3.33Å; K675-E677 VanDerWaalsContact C-N 3.33Å; K675-E677 PolarHBondContact O-N 3.45Å; K675-K678 PolarHBondContact O-N 2.93Å; K675-Y679 HydrophobicContact CB-CD2 4.29Å; K675-Y679 HydrophobicContact CB-CE2 3.96Å; K675-Y679 HydrophobicContact CD-CE1 4.41Å; K675-Y679 HydrophobicContact CD-CE2 4.33Å; K675-Y679 HydrophobicContact CG-CE2 4.49Å; K675-Y679 WeakPolarHBondContact O-CB 3.49Å; K675-Y679 WeakPolarHBondContact O-CD2 3.47Å; K675-Y679 PolarHBondContact O-N 3.19Å; K675-F726 HydrophobicContact CB-CZ 4.36Å; K675-Y734 VanDerWaalsContact CE-OH 3.28Å; K675-Y734 WeakPolarHBondContact CE-OH 3.39Å; K675-Y734 HydrophobicContact CG-CE2 4.46Å |
| 676 | F | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -52.4 | -54.5 | 174.2 | -175.2 | -78.4 | 0 | 0 | 0 | 110.2 | A672 R673 K678 Y679 F680 I714 F716 H723 F726 I727 I839 | A672-F676 PolarHBondContact O-N 3.35Å; R673-F676 WeakPolarHBondContact O-CB 3.35Å; R673-F676 PolarHBondContact O-N 3.4Å; F676-K678 VanDerWaalsContact C-N 3.3Å; F676-K678 PolarHBondContact O-N 3.06Å; F676-Y679 PolarHBondContact O-N 2.74Å; F676-Y679 VanDerWaalsContact O-N 3.16Å; F676-F680 HydrophobicContact CB-CD2 4.41Å; F676-F680 HydrophobicContact CD1-CD2 4.26Å; F676-F680 AromaticContact CD2-CD2 3.7Å; F676-F680 HydrophobicContact CD2-CD2 3.7Å; F676-F680 AromaticContact CD2-CE2 3.98Å; F676-F680 HydrophobicContact CD2-CE2 3.98Å; F676-F680 HydrophobicContact CE1-CD2 4.44Å; F676-F680 AromaticContact CE2-CD2 3.93Å; F676-F680 HydrophobicContact CE2-CD2 3.93Å; F676-F680 HydrophobicContact CE2-CE2 4.38Å; F676-F680 AromaticContact CG-CD2 3.88Å; F676-F680 HydrophobicContact CG-CD2 3.88Å; F676-F680 HydrophobicContact CG-CE2 4.42Å; F676-F680 HydrophobicContact CZ-CD2 4.29Å; F676-F680 WeakPolarHBondContact O-CD2 3.42Å; F676-F680 PolarHBondContact O-N 2.9Å; F676-I714 HydrophobicContact CE1-CG2 4.27Å; F676-I714 HydrophobicContact CZ-CG2 3.86Å; F676-F716 HydrophobicContact CD1-CB 3.94Å; F676-F716 AromaticContact CD1-CD2 3.84Å; F676-F716 HydrophobicContact CD1-CD2 3.84Å; F676-F716 HydrophobicContact CD1-CG 4.34Å; F676-F716 AromaticContact CD2-CD2 3.99Å; F676-F716 HydrophobicContact CD2-CD2 3.99Å; F676-F716 HydrophobicContact CD2-CE2 4.48Å; F676-F716 HydrophobicContact CE1-CB 3.64Å; F676-F716 AromaticContact CE1-CD2 3.85Å; F676-F716 HydrophobicContact CE1-CD2 3.85Å; F676-F716 HydrophobicContact CE1-CG 4.26Å; F676-F716 AromaticContact CE2-CD2 3.95Å; F676-F716 HydrophobicContact CE2-CD2 3.95Å; F676-F716 AromaticContact CG-CD2 3.93Å; F676-F716 HydrophobicContact CG-CD2 3.93Å; F676-F716 HydrophobicContact CZ-CB 4.28Å; F676-F716 AromaticContact CZ-CD2 3.9Å; F676-F716 HydrophobicContact CZ-CD2 3.9Å; F676-H723 HydrophobicContact CE2-CB 4.01Å; F676-H723 AromaticContact CE2-CD2 3.49Å; F676-H723 VanDerWaalsContact CE2-CD2 3.49Å; F676-H723 WeakPolarHBondContact CE2-CD2 3.23Å; F676-H723 AromaticContact CE2-CG 3.68Å; F676-H723 HydrophobicContact CZ-CB 4.46Å; F676-H723 AromaticContact CZ-CD2 3.6Å; F676-H723 AromaticContact CZ-CE1 3.92Å; F676-H723 AromaticContact CZ-CG 3.76Å; F676-H723 AromaticContact CZ-ND1 3.97Å; F676-H723 AromaticContact CZ-NE2 3.67Å; F676-F726 HydrophobicContact CB-CD1 4.11Å; F676-F726 HydrophobicContact CB-CE1 3.74Å; F676-F726 AromaticContact CD2-CD1 3.72Å; F676-F726 HydrophobicContact CD2-CD1 3.72Å; F676-F726 HydrophobicContact CD2-CE1 4.12Å; F676-F726 HydrophobicContact CD2-CG 4.41Å; F676-F726 HydrophobicContact CG-CD1 4.43Å; F676-F726 HydrophobicContact CG-CE1 4.44Å; F676-I727 HydrophobicContact CB-CD1 4.34Å; F676-I839 HydrophobicContact CD2-CD1 4.43Å; F676-I839 HydrophobicContact CE2-CD1 3.89Å; F676-I839 HydrophobicContact CE2-CG2 4.33Å; F676-I839 HydrophobicContact CZ-CG2 4.46Å |
| 677 | E | 96.3 | Very high | 95.3 | Very high | 13 Ų | 13 | 33.9 Ų | 33.9 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -57.1 | -44.7 | -179.6 | -163.4 | 69.3 | -165 | 0 | 0 | 112 | R673 K675 K681 R682 I761 | R673-E677 IonicContact CZ-OE2 2.9Å; R673-E677 VanDerWaalsContact CZ-OE2 3.31Å; R673-E677 IonicContact NH1-OE2 2.64Å; R673-E677 PolarHBondContact NH1-OE2 2.94Å; R673-E677 IonicContact NH2-OE2 2.67Å; R673-E677 PolarHBondContact NH2-OE2 2.92Å; R673-E677 PolarHBondContact O-N 3.01Å; R673-E677 VanDerWaalsContact O-N 3.17Å; K675-E677 VanDerWaalsContact C-N 3.33Å; K675-E677 PolarHBondContact O-N 3.45Å; E677-K681 PolarHBondContact O-N 3.23Å; E677-K681 WeakPolarHBondContact OE1-CD 3.39Å; E677-R682 HydrophobicContact CG-CG 4.26Å; E677-R682 PolarHBondContact O-N 3.05Å; E677-I761 HydrophobicContact CB-CG2 4.5Å; E677-I761 HydrophobicContact CG-CG2 3.65Å |
| 678 | K | 95.1 | Very high | 95.2 | Very high | 102 Ų | 102 | 32 Ų | 32 | 44% | 0.443 | 15% | 0.147 | S | C | . | . | I | π-helix | trans | -64 | -44.3 | 179.8 | 179.9 | 178 | 179.9 | 172.2 | 0 | 111.7 | L674 K675 F676 K683 | L674-K678 WeakPolarHBondContact O-CB 3.33Å; L674-K678 PolarHBondContact O-N 2.89Å; L674-K678 VanDerWaalsContact O-N 3.07Å; K675-K678 PolarHBondContact O-N 2.93Å; F676-K678 VanDerWaalsContact C-N 3.3Å; F676-K678 PolarHBondContact O-N 3.06Å; K678-K683 WeakPolarHBondContact O-CB 3.29Å; K678-K683 VanDerWaalsContact O-CG 3.3Å; K678-K683 WeakPolarHBondContact O-CG 3.41Å; K678-K683 PolarHBondContact O-N 2.8Å |
| 679 | Y | 95.9 | Very high | 95 | Very high | 13 Ų | 13 | 36.1 Ų | 36.1 | 5% | 0.051 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -80.6 | -40.8 | -170.5 | -66 | -18 | 0 | 0 | 0 | 112.9 | W609 K613 K675 F676 F726 | W609-Y679 HydrophobicContact CH2-CD2 4.02Å; W609-Y679 HydrophobicContact CH2-CG 4.06Å; W609-Y679 HydrophobicContact CZ2-CD1 4.47Å; W609-Y679 HydrophobicContact CZ2-CD2 4.4Å; W609-Y679 HydrophobicContact CZ2-CG 4.11Å; K613-Y679 HydrophobicContact CD-CE1 4.02Å; K613-Y679 HydrophobicContact CD-CE2 4.13Å; K675-Y679 HydrophobicContact CB-CD2 4.29Å; K675-Y679 HydrophobicContact CB-CE2 3.96Å; K675-Y679 HydrophobicContact CD-CE1 4.41Å; K675-Y679 HydrophobicContact CD-CE2 4.33Å; K675-Y679 HydrophobicContact CG-CE2 4.49Å; K675-Y679 WeakPolarHBondContact O-CB 3.49Å; K675-Y679 WeakPolarHBondContact O-CD2 3.47Å; K675-Y679 PolarHBondContact O-N 3.19Å; F676-Y679 PolarHBondContact O-N 2.74Å; F676-Y679 VanDerWaalsContact O-N 3.16Å; Y679-F726 HydrophobicContact CD2-CZ 4.2Å |
| 680 | F | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -110.7 | -16.1 | -166.7 | -49.1 | -62.4 | 0 | 0 | 0 | 114.2 | W609 F676 I714 F726 A836 I839 R840 M843 | W609-F680 AromaticContact CH2-CE1 3.75Å; W609-F680 HydrophobicContact CH2-CE1 3.75Å; W609-F680 HydrophobicContact CH2-CZ 4.07Å; W609-F680 HydrophobicContact CZ3-CE1 4.02Å; W609-F680 HydrophobicContact CZ3-CZ 4.34Å; F676-F680 HydrophobicContact CB-CD2 4.41Å; F676-F680 HydrophobicContact CD1-CD2 4.26Å; F676-F680 AromaticContact CD2-CD2 3.7Å; F676-F680 HydrophobicContact CD2-CD2 3.7Å; F676-F680 AromaticContact CD2-CE2 3.98Å; F676-F680 HydrophobicContact CD2-CE2 3.98Å; F676-F680 HydrophobicContact CE1-CD2 4.44Å; F676-F680 AromaticContact CE2-CD2 3.93Å; F676-F680 HydrophobicContact CE2-CD2 3.93Å; F676-F680 HydrophobicContact CE2-CE2 4.38Å; F676-F680 AromaticContact CG-CD2 3.88Å; F676-F680 HydrophobicContact CG-CD2 3.88Å; F676-F680 HydrophobicContact CG-CE2 4.42Å; F676-F680 HydrophobicContact CZ-CD2 4.29Å; F676-F680 WeakPolarHBondContact O-CD2 3.42Å; F676-F680 PolarHBondContact O-N 2.9Å; F680-I714 HydrophobicContact CB-CB 3.94Å; F680-I714 HydrophobicContact CB-CG1 4.21Å; F680-I714 PolarHBondContact O-N 2.58Å; F680-F726 HydrophobicContact CE2-CD1 4.42Å; F680-F726 HydrophobicContact CE2-CD2 4.14Å; F680-F726 HydrophobicContact CE2-CE1 4.18Å; F680-F726 AromaticContact CE2-CE2 3.87Å; F680-F726 HydrophobicContact CE2-CE2 3.87Å; F680-F726 HydrophobicContact CE2-CG 4.39Å; F680-F726 AromaticContact CE2-CZ 3.89Å; F680-F726 HydrophobicContact CE2-CZ 3.89Å; F680-F726 HydrophobicContact CZ-CD2 4.33Å; F680-F726 HydrophobicContact CZ-CE2 4.03Å; F680-F726 HydrophobicContact CZ-CZ 4.43Å; F680-A836 WeakPolarHBondContact CE1-O 3.45Å; F680-A836 HydrophobicContact CZ-CB 4.36Å; F680-I839 HydrophobicContact CB-CG2 3.93Å; F680-I839 HydrophobicContact CD1-CB 4.1Å; F680-I839 HydrophobicContact CD1-CG2 3.54Å; F680-I839 HydrophobicContact CD2-CB 4.45Å; F680-I839 HydrophobicContact CD2-CG2 3.69Å; F680-I839 HydrophobicContact CE1-CB 3.93Å; F680-I839 HydrophobicContact CE1-CG2 3.89Å; F680-I839 HydrophobicContact CE2-CB 4.29Å; F680-I839 HydrophobicContact CE2-CD1 4.14Å; F680-I839 HydrophobicContact CE2-CG2 4.03Å; F680-I839 HydrophobicContact CG-CB 4.37Å; F680-I839 HydrophobicContact CG-CG2 3.44Å; F680-I839 VanDerWaalsContact CG-CG2 3.44Å; F680-I839 HydrophobicContact CZ-CB 4.04Å; F680-I839 HydrophobicContact CZ-CD1 4.39Å; F680-I839 HydrophobicContact CZ-CG2 4.12Å; F680-R840 HydrophobicContact CD1-CB 4.45Å; F680-R840 HydrophobicContact CE1-CB 4.06Å; F680-M843 VanDerWaalsContact O-SD 3.38Å |
| 681 | K | 95.5 | Very high | 94.5 | Very high | 56 Ų | 56 | 37.3 Ų | 37.3 | 24% | 0.243 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -112.3 | -64.4 | 175.1 | -160.3 | -175.5 | -172 | 163 | 0 | 113 | E677 K683 A684 L685 P713 D715 | E677-K681 PolarHBondContact O-N 3.23Å; E677-K681 WeakPolarHBondContact OE1-CD 3.39Å; K681-K683 VanDerWaalsContact C-N 3.32Å; K681-K683 PolarHBondContact O-N 2.73Å; K681-A684 WeakPolarHBondContact O-CB 3.49Å; K681-A684 PolarHBondContact O-N 2.72Å; K681-A684 VanDerWaalsContact O-N 3.11Å; K681-L685 HydrophobicContact CG-CD1 4.17Å; K681-L685 WeakPolarHBondContact O-CG 3.47Å; K681-L685 PolarHBondContact O-N 2.73Å; K681-P713 HydrophobicContact CG-CB 3.92Å; K681-D715 WeakPolarHBondContact CE-OD1 3.46Å; K681-D715 IonicContact NZ-OD1 3.38Å; K681-D715 PolarHBondContact NZ-OD1 2.87Å |
| 682 | R | 94.4 | Very high | 94.3 | Very high | 59 Ų | 59 | 38.9 Ų | 38.9 | 22% | 0.223 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -62.4 | -37.6 | -172.6 | -66 | -176 | -172.6 | 169.1 | 7.6 | 113.2 | E677 Q686 P762 Y764 | E677-R682 HydrophobicContact CG-CG 4.26Å; E677-R682 PolarHBondContact O-N 3.05Å; R682-Q686 VanDerWaalsContact O-CB 3.31Å; R682-Q686 WeakPolarHBondContact O-CB 3.48Å; R682-Q686 PolarHBondContact O-N 3.17Å; R682-P762 VanDerWaalsContact NH2-CB 3.31Å; R682-P762 PolarHBondContact NH2-O 2.95Å; R682-Y764 HydrophobicContact CB-CD2 4.13Å; R682-Y764 HydrophobicContact CG-CD2 4.17Å |
| 683 | K | 92.7 | Very high | 93.9 | Very high | 74 Ų | 74 | 43.6 Ų | 43.6 | 32% | 0.322 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.5 | -38.8 | 176.4 | -90.4 | -172.2 | 166.9 | -142 | 0 | 112.6 | K678 K681 L687 | K678-K683 WeakPolarHBondContact O-CB 3.29Å; K678-K683 VanDerWaalsContact O-CG 3.3Å; K678-K683 WeakPolarHBondContact O-CG 3.41Å; K678-K683 PolarHBondContact O-N 2.8Å; K681-K683 VanDerWaalsContact C-N 3.32Å; K681-K683 PolarHBondContact O-N 2.73Å; K683-L687 WeakPolarHBondContact O-CB 3.18Å; K683-L687 PolarHBondContact O-N 3.25Å |
| 684 | A | 93.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.4 | -48.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | K681 Q686 L687 L688 P711 P713 M843 | K681-A684 WeakPolarHBondContact O-CB 3.49Å; K681-A684 PolarHBondContact O-N 2.72Å; K681-A684 VanDerWaalsContact O-N 3.11Å; A684-Q686 VanDerWaalsContact C-N 3.32Å; A684-Q686 PolarHBondContact O-N 3.25Å; A684-L687 PolarHBondContact O-N 2.91Å; A684-L687 VanDerWaalsContact O-N 3.09Å; A684-L688 WeakPolarHBondContact O-CG 3.46Å; A684-L688 PolarHBondContact O-N 2.9Å; A684-P711 HydrophobicContact CB-CB 3.93Å; A684-P711 HydrophobicContact CB-CG 4.23Å; A684-P713 HydrophobicContact CB-CB 4.11Å; A684-P713 HydrophobicContact CB-CG 3.9Å; A684-M843 HydrophobicContact CB-CG 4.27Å; A684-M843 HydrophobicContact CB-SD 3.92Å |
| 685 | L | 94.6 | Very high | 93.2 | Very high | 53 Ų | 53 | 47.9 Ų | 47.9 | 28% | 0.277 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.8 | -44.2 | 176.1 | -68.5 | 173 | 0 | 0 | 0 | 112.3 | K681 L687 L688 H689 P713 Y764 | K681-L685 HydrophobicContact CG-CD1 4.17Å; K681-L685 WeakPolarHBondContact O-CG 3.47Å; K681-L685 PolarHBondContact O-N 2.73Å; L685-L687 VanDerWaalsContact C-N 3.34Å; L685-L687 PolarHBondContact O-N 3.16Å; L685-L688 PolarHBondContact O-N 2.91Å; L685-H689 WeakPolarHBondContact O-CB 3.37Å; L685-H689 PolarHBondContact O-N 3.06Å; L685-P713 HydrophobicContact CD2-CB 4.28Å; L685-P713 HydrophobicContact CD2-CG 3.63Å; L685-P713 HydrophobicContact CG-CB 4.24Å; L685-P713 HydrophobicContact CG-CG 3.95Å; L685-Y764 HydrophobicContact CB-CD1 4.02Å; L685-Y764 HydrophobicContact CB-CE1 3.74Å; L685-Y764 HydrophobicContact CB-CE2 4.35Å; L685-Y764 HydrophobicContact CB-CG 4.43Å; L685-Y764 HydrophobicContact CD1-CD1 3.85Å; L685-Y764 HydrophobicContact CD1-CE1 4.43Å; L685-Y764 HydrophobicContact CD1-CG 4Å |
| 686 | Q | 92.9 | Very high | 92.7 | Very high | 31 Ų | 31 | 53.1 Ų | 53.1 | 15% | 0.145 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 176.4 | -176.2 | 60.4 | 52.2 | 0 | 0 | 112.7 | R682 A684 H689 S690 Y764 S767 | R682-Q686 VanDerWaalsContact O-CB 3.31Å; R682-Q686 WeakPolarHBondContact O-CB 3.48Å; R682-Q686 PolarHBondContact O-N 3.17Å; A684-Q686 VanDerWaalsContact C-N 3.32Å; A684-Q686 PolarHBondContact O-N 3.25Å; Q686-H689 PolarHBondContact O-N 3.26Å; Q686-S690 PolarHBondContact NE2-OG 3.43Å; Q686-S690 PolarHBondContact O-N 3.22Å; Q686-S690 PolarHBondContact O-OG 3.16Å; Q686-Y764 WeakPolarHBondContact CA-OH 3.32Å; Q686-Y764 HydrophobicContact CB-CE2 4.24Å; Q686-Y764 PolarHBondContact N-OH 3.36Å; Q686-Y764 PolarHBondContact OE1-OH 3.33Å; Q686-S767 PolarHBondContact NE2-O 2.95Å |
| 687 | L | 92 | Very high | 92.1 | Very high | 7 Ų | 7 | 56.6 Ų | 56.6 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.5 | -40.7 | 179.3 | -165.9 | 61.6 | 0 | 0 | 0 | 111.4 | S598 F599 K683 A684 L685 H689 S690 F691 W704 P711 I771 Y844 | S598-L687 VanDerWaalsContact O-CD2 3.28Å; S598-L687 WeakPolarHBondContact O-CD2 3.41Å; F599-L687 HydrophobicContact CD1-CD2 4.4Å; F599-L687 HydrophobicContact CE1-CD1 3.93Å; F599-L687 HydrophobicContact CE1-CD2 4.1Å; F599-L687 HydrophobicContact CE1-CG 4.39Å; F599-L687 HydrophobicContact CZ-CD1 4.12Å; K683-L687 WeakPolarHBondContact O-CB 3.18Å; K683-L687 PolarHBondContact O-N 3.25Å; A684-L687 PolarHBondContact O-N 2.91Å; A684-L687 VanDerWaalsContact O-N 3.09Å; L685-L687 VanDerWaalsContact C-N 3.34Å; L685-L687 PolarHBondContact O-N 3.16Å; L687-H689 VanDerWaalsContact C-N 3.34Å; L687-S690 PolarHBondContact O-N 3.38Å; L687-F691 HydrophobicContact CD1-CD2 3.87Å; L687-F691 HydrophobicContact CD1-CE2 4.12Å; L687-F691 PolarHBondContact O-N 2.77Å; L687-W704 HydrophobicContact CD2-CH2 3.7Å; L687-W704 HydrophobicContact CD2-CZ2 4.47Å; L687-W704 HydrophobicContact CG-CH2 3.83Å; L687-W704 HydrophobicContact CG-CZ2 4.13Å; L687-P711 HydrophobicContact CB-CG 4.3Å; L687-P711 HydrophobicContact CD2-CG 4.01Å; L687-P711 HydrophobicContact CG-CG 4.48Å; L687-I771 HydrophobicContact CD1-CD1 3.62Å; L687-I771 HydrophobicContact CD1-CG2 4.13Å; L687-Y844 HydrophobicContact CD2-CE1 4.44Å |
| 688 | L | 92.6 | Very high | 91.6 | Very high | 42 Ų | 42 | 66.8 Ų | 66.8 | 22% | 0.22 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.7 | -30.9 | 174.8 | -67.5 | 173.5 | 0 | 0 | 0 | 112.9 | A684 L685 F691 P692 L693 P711 P713 | A684-L688 WeakPolarHBondContact O-CG 3.46Å; A684-L688 PolarHBondContact O-N 2.9Å; L685-L688 PolarHBondContact O-N 2.91Å; L688-F691 CarbonylContact O-C 3.24Å; L688-F691 VanDerWaalsContact O-C 3.24Å; L688-P692 VanDerWaalsContact O-CA 3.32Å; L688-P692 WeakPolarHBondContact O-CA 3.42Å; L688-P692 VanDerWaalsContact O-N 3.12Å; L688-L693 HydrophobicContact CD2-CD2 4.03Å; L688-P711 HydrophobicContact CD2-CG 4.19Å; L688-P711 HydrophobicContact CG-CG 4.11Å; L688-P713 HydrophobicContact CD1-CG 4.28Å |
| 689 | H | 91.7 | Very high | 90.8 | Very high | 86 Ų | 86 | 67.8 Ų | 67.8 | 40% | 0.398 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68 | -46.2 | 172.4 | -179.9 | -84.2 | 0 | 0 | 0 | 111.3 | L685 Q686 L687 P766 | L685-H689 WeakPolarHBondContact O-CB 3.37Å; L685-H689 PolarHBondContact O-N 3.06Å; Q686-H689 PolarHBondContact O-N 3.26Å; L687-H689 VanDerWaalsContact C-N 3.34Å; H689-P766 WeakPolarHBondContact NE2-CB 3.37Å |
| 690 | S | 90.1 | Very high | 90.1 | Very high | 40 Ų | 40 | 69 Ų | 69 | 28% | 0.28 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.4 | -31.9 | 178.6 | -65.5 | 0 | 0 | 0 | 0 | 112.9 | Q686 L687 I771 | Q686-S690 PolarHBondContact NE2-OG 3.43Å; Q686-S690 PolarHBondContact O-N 3.22Å; Q686-S690 PolarHBondContact O-OG 3.16Å; L687-S690 PolarHBondContact O-N 3.38Å; S690-I771 WeakPolarHBondContact OG-CD1 3.4Å |
| 691 | F | 91 | Very high | 89.3 | Confident | 35 Ų | 35 | 70.2 Ų | 70.2 | 15% | 0.154 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -135 | 85 | 177.3 | -53.7 | -75.8 | 0 | 0 | 0 | 110.2 | F599 L687 L688 F703 W704 I771 T773 | F599-F691 HydrophobicContact CZ-CE2 4.25Å; L687-F691 HydrophobicContact CD1-CD2 3.87Å; L687-F691 HydrophobicContact CD1-CE2 4.12Å; L687-F691 PolarHBondContact O-N 2.77Å; L688-F691 CarbonylContact O-C 3.24Å; L688-F691 VanDerWaalsContact O-C 3.24Å; F691-F703 HydrophobicContact CB-CD1 3.84Å; F691-F703 HydrophobicContact CB-CE1 3.68Å; F691-F703 HydrophobicContact CB-CZ 4.29Å; F691-F703 HydrophobicContact CD1-CD1 4.3Å; F691-F703 HydrophobicContact CD1-CD2 4.18Å; F691-F703 AromaticContact CD1-CE1 3.94Å; F691-F703 HydrophobicContact CD1-CE1 3.94Å; F691-F703 AromaticContact CD1-CE2 3.81Å; F691-F703 HydrophobicContact CD1-CE2 3.81Å; F691-F703 HydrophobicContact CD1-CG 4.41Å; F691-F703 AromaticContact CD1-CZ 3.68Å; F691-F703 HydrophobicContact CD1-CZ 3.68Å; F691-F703 AromaticContact CD2-CE1 3.98Å; F691-F703 HydrophobicContact CD2-CE1 3.98Å; F691-F703 AromaticContact CD2-CZ 3.91Å; F691-F703 HydrophobicContact CD2-CZ 3.91Å; F691-F703 AromaticContact CE1-CE2 3.88Å; F691-F703 HydrophobicContact CE1-CE2 3.88Å; F691-F703 AromaticContact CE1-CZ 3.91Å; F691-F703 HydrophobicContact CE1-CZ 3.91Å; F691-F703 HydrophobicContact CE2-CZ 4.12Å; F691-F703 HydrophobicContact CG-CD1 4.12Å; F691-F703 AromaticContact CG-CE1 3.59Å; F691-F703 HydrophobicContact CG-CE1 3.59Å; F691-F703 HydrophobicContact CG-CE2 4.29Å; F691-F703 AromaticContact CG-CZ 3.69Å; F691-F703 HydrophobicContact CG-CZ 3.69Å; F691-F703 HydrophobicContact CZ-CE2 4.41Å; F691-F703 HydrophobicContact CZ-CZ 4.13Å; F691-W704 HydrophobicContact CB-CZ2 4.01Å; F691-W704 PolarHBondContact O-NE1 3.13Å; F691-I771 HydrophobicContact CE2-CB 3.96Å; F691-I771 HydrophobicContact CE2-CD1 4.21Å; F691-I771 HydrophobicContact CE2-CG2 4.12Å; F691-I771 HydrophobicContact CZ-CB 4.42Å; F691-T773 HydrophobicContact CE1-CG2 4.29Å; F691-T773 HydrophobicContact CE2-CG2 4.12Å; F691-T773 HydrophobicContact CZ-CG2 3.54Å |
| 692 | P | 92.1 | Very high | 88.8 | Confident | 68 Ų | 68 | 69.2 Ų | 69.2 | 44% | 0.442 | 35% | 0.347 | S | S | . | . | trans | -53.5 | 155.3 | 173 | -28.1 | 35.7 | 0 | 0 | 0 | 112.7 | L688 E694 T695 | L688-P692 VanDerWaalsContact O-CA 3.32Å; L688-P692 WeakPolarHBondContact O-CA 3.42Å; L688-P692 VanDerWaalsContact O-N 3.12Å; P692-E694 PolarHBondContact O-N 2.79Å; P692-E694 VanDerWaalsContact O-N 3.12Å; P692-T695 VanDerWaalsContact CD-OG1 3.27Å; P692-T695 WeakPolarHBondContact CD-OG1 3.33Å; P692-T695 VanDerWaalsContact N-OG1 3.14Å; P692-T695 WeakPolarHBondContact O-CB 3.37Å; P692-T695 PolarHBondContact O-N 2.92Å; P692-T695 PolarHBondContact O-OG1 3.09Å | ||
| 693 | L | 88.2 | Confident | 88.4 | Confident | 99 Ų | 99 | 67 Ų | 67 | 52% | 0.518 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -32.9 | -176.5 | -67.2 | 176.4 | 0 | 0 | 0 | 113.4 | L688 T695 P710 | L688-L693 HydrophobicContact CD2-CD2 4.03Å; L693-T695 VanDerWaalsContact C-N 3.27Å; L693-T695 PolarHBondContact O-N 2.91Å; L693-P710 HydrophobicContact CD2-CB 3.56Å; L693-P710 HydrophobicContact CD2-CG 4.27Å |
| 694 | E | 87.8 | Confident | 88.2 | Confident | 147 Ų | 147 | 64.2 Ų | 64.2 | 69% | 0.687 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 5.1 | 179.6 | -55.5 | -55.3 | 145.2 | 0 | 0 | 114.1 | P692 R696 | P692-E694 PolarHBondContact O-N 2.79Å; P692-E694 VanDerWaalsContact O-N 3.12Å; E694-R696 PolarHBondContact O-N 2.87Å |
| 695 | T | 89 | Confident | 87.6 | Confident | 38 Ų | 38 | 67.1 Ų | 67.1 | 23% | 0.233 | 34% | 0.341 | C | S | . | . | trans | -62.3 | 129.2 | -179.3 | -56.6 | 0 | 0 | 0 | 0 | 110 | P692 L693 F703 | P692-T695 VanDerWaalsContact CD-OG1 3.27Å; P692-T695 WeakPolarHBondContact CD-OG1 3.33Å; P692-T695 VanDerWaalsContact N-OG1 3.14Å; P692-T695 WeakPolarHBondContact O-CB 3.37Å; P692-T695 PolarHBondContact O-N 2.92Å; P692-T695 PolarHBondContact O-OG1 3.09Å; L693-T695 VanDerWaalsContact C-N 3.27Å; L693-T695 PolarHBondContact O-N 2.91Å; T695-F703 HydrophobicContact CG2-CB 3.88Å; T695-F703 HydrophobicContact CG2-CG 4.34Å; T695-F703 WeakPolarHBondContact O-CB 3.49Å; T695-F703 PolarHBondContact O-N 3.1Å | ||
| 696 | R | 87.1 | Confident | 86.9 | Confident | 152 Ų | 152 | 65.5 Ų | 65.5 | 57% | 0.574 | 33% | 0.334 | S | S | * | . | B | Isolated β-bridge | trans | -113.4 | 147.4 | 177.6 | -67.9 | -179.8 | -177.9 | -84.8 | -6.4 | 111.8 | E694 G700 S701 L702 | E694-R696 PolarHBondContact O-N 2.87Å; R696-G700 PolarHBondContact NH1-O 2.83Å; R696-S701 CarbonylContact C-O 3.44Å; R696-S701 VanDerWaalsContact CA-O 3.23Å; R696-S701 WeakPolarHBondContact CA-O 3.28Å; R696-L702 HydrophobicContact CG-CD2 4.19Å |
| 697 | L | 85.5 | Confident | 86.3 | Confident | 74 Ų | 74 | 66.2 Ų | 66.2 | 39% | 0.387 | 34% | 0.341 | S | S | . | . | trans | -80.2 | 171.5 | 171.8 | -63.6 | 179.7 | 0 | 0 | 0 | 110.8 | D699 G700 S701 F703 | L697-D699 WeakPolarHBondContact CB-OD1 3.43Å; L697-D699 PolarHBondContact O-N 2.84Å; L697-G700 PolarHBondContact O-N 3.47Å; L697-S701 PolarHBondContact N-O 3.06Å; L697-F703 HydrophobicContact CD2-CD2 4Å | ||
| 698 | K | 83.7 | Confident | 86.1 | Confident | 226 Ų | 226 | 68 Ų | 68 | 98% | 0.983 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -25.3 | -178.6 | -67.9 | -177.1 | 179.8 | 177.2 | 0 | 113.5 | G700 | K698-G700 VanDerWaalsContact C-N 3.31Š|
| 699 | D | 79.6 | Confident | 85.9 | Confident | 123 Ų | 123 | 66.8 Ų | 66.8 | 66% | 0.658 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | 0.5 | 177.5 | 62.7 | 6.7 | 0 | 0 | 0 | 113.5 | L697 S701 | L697-D699 WeakPolarHBondContact CB-OD1 3.43Å; L697-D699 PolarHBondContact O-N 2.84Å; D699-S701 VanDerWaalsContact C-N 3.33Å; D699-S701 VanDerWaalsContact OD1-CB 3.3Å; D699-S701 WeakPolarHBondContact OD1-CB 3.16Å; D699-S701 PolarHBondContact OD1-N 3.31Å; D699-S701 PolarHBondContact OD1-OG 3.39Å; D699-S701 PolarHBondContact OD2-OG 3.43Å |
| 700 | G | 80.3 | Confident | 85.9 | Confident | 38 Ų | 38 | 65.2 Ų | 65.2 | 39% | 0.392 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 87.2 | -8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R696 L697 K698 | R696-G700 PolarHBondContact NH1-O 2.83Å; L697-G700 PolarHBondContact O-N 3.47Å; K698-G700 VanDerWaalsContact C-N 3.31Å |
| 701 | S | 81.3 | Confident | 86.1 | Confident | 27 Ų | 27 | 63.5 Ų | 63.5 | 19% | 0.189 | 33% | 0.326 | C | S | . | . | trans | -70.8 | 158.7 | 176.1 | 71.2 | 0 | 0 | 0 | 0 | 112.1 | R696 L697 D699 Q705 | R696-S701 CarbonylContact C-O 3.44Å; R696-S701 VanDerWaalsContact CA-O 3.23Å; R696-S701 WeakPolarHBondContact CA-O 3.28Å; L697-S701 PolarHBondContact N-O 3.06Å; D699-S701 VanDerWaalsContact C-N 3.33Å; D699-S701 VanDerWaalsContact OD1-CB 3.3Å; D699-S701 WeakPolarHBondContact OD1-CB 3.16Å; D699-S701 PolarHBondContact OD1-N 3.31Å; D699-S701 PolarHBondContact OD1-OG 3.39Å; D699-S701 PolarHBondContact OD2-OG 3.43Å; S701-Q705 PolarHBondContact OG-NE2 3.12Å | ||
| 702 | L | 84.5 | Confident | 86.3 | Confident | 34 Ų | 34 | 65.8 Ų | 65.8 | 18% | 0.178 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -74.6 | 139.8 | 178.4 | -73.8 | 170.9 | 0 | 0 | 0 | 110.1 | R696 W704 Q705 | R696-L702 HydrophobicContact CG-CD2 4.19Å; L702-W704 VanDerWaalsContact C-N 3.29Å; L702-W704 PolarHBondContact O-N 3.28Å; L702-Q705 VanDerWaalsContact O-CG 3.23Å; L702-Q705 WeakPolarHBondContact O-CG 3.39Å; L702-Q705 PolarHBondContact O-NE2 3.11Å |
| 703 | F | 87.1 | Confident | 86.5 | Confident | 12 Ų | 12 | 64.1 Ų | 64.1 | 5% | 0.053 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -62.1 | -41.5 | 172.6 | 177.1 | -92 | 0 | 0 | 0 | 111.2 | F599 F691 T695 L697 Q705 K708 T773 | F599-F703 AromaticContact CE1-CE1 3.95Å; F599-F703 HydrophobicContact CE1-CE1 3.95Å; F599-F703 AromaticContact CE1-CZ 3.84Å; F599-F703 HydrophobicContact CE1-CZ 3.84Å; F599-F703 HydrophobicContact CZ-CE1 4.42Å; F599-F703 AromaticContact CZ-CZ 3.86Å; F599-F703 HydrophobicContact CZ-CZ 3.86Å; F691-F703 HydrophobicContact CB-CD1 3.84Å; F691-F703 HydrophobicContact CB-CE1 3.68Å; F691-F703 HydrophobicContact CB-CZ 4.29Å; F691-F703 HydrophobicContact CD1-CD1 4.3Å; F691-F703 HydrophobicContact CD1-CD2 4.18Å; F691-F703 AromaticContact CD1-CE1 3.94Å; F691-F703 HydrophobicContact CD1-CE1 3.94Å; F691-F703 AromaticContact CD1-CE2 3.81Å; F691-F703 HydrophobicContact CD1-CE2 3.81Å; F691-F703 HydrophobicContact CD1-CG 4.41Å; F691-F703 AromaticContact CD1-CZ 3.68Å; F691-F703 HydrophobicContact CD1-CZ 3.68Å; F691-F703 AromaticContact CD2-CE1 3.98Å; F691-F703 HydrophobicContact CD2-CE1 3.98Å; F691-F703 AromaticContact CD2-CZ 3.91Å; F691-F703 HydrophobicContact CD2-CZ 3.91Å; F691-F703 AromaticContact CE1-CE2 3.88Å; F691-F703 HydrophobicContact CE1-CE2 3.88Å; F691-F703 AromaticContact CE1-CZ 3.91Å; F691-F703 HydrophobicContact CE1-CZ 3.91Å; F691-F703 HydrophobicContact CE2-CZ 4.12Å; F691-F703 HydrophobicContact CG-CD1 4.12Å; F691-F703 AromaticContact CG-CE1 3.59Å; F691-F703 HydrophobicContact CG-CE1 3.59Å; F691-F703 HydrophobicContact CG-CE2 4.29Å; F691-F703 AromaticContact CG-CZ 3.69Å; F691-F703 HydrophobicContact CG-CZ 3.69Å; F691-F703 HydrophobicContact CZ-CE2 4.41Å; F691-F703 HydrophobicContact CZ-CZ 4.13Å; T695-F703 HydrophobicContact CG2-CB 3.88Å; T695-F703 HydrophobicContact CG2-CG 4.34Å; T695-F703 WeakPolarHBondContact O-CB 3.49Å; T695-F703 PolarHBondContact O-N 3.1Å; L697-F703 HydrophobicContact CD2-CD2 4Å; F703-Q705 PolarHBondContact O-N 3.06Å; F703-K708 HydrophobicContact CZ-CD 4.5Å; F703-T773 HydrophobicContact CE2-CG2 4.47Å; F703-T773 HydrophobicContact CZ-CG2 4.44Å |
| 704 | W | 86.8 | Confident | 87 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -89 | 74.4 | 176 | -63.8 | 111.1 | 0 | 0 | 0 | 110.9 | F599 L687 F691 L702 K708 R709 P710 | F599-W704 HydrophobicContact CD1-CH2 4.1Å; F599-W704 AromaticContact CD1-CZ3 3.94Å; F599-W704 HydrophobicContact CD1-CZ3 3.94Å; F599-W704 AromaticContact CE1-CH2 3.86Å; F599-W704 HydrophobicContact CE1-CH2 3.86Å; F599-W704 HydrophobicContact CE1-CZ3 4.11Å; L687-W704 HydrophobicContact CD2-CH2 3.7Å; L687-W704 HydrophobicContact CD2-CZ2 4.47Å; L687-W704 HydrophobicContact CG-CH2 3.83Å; L687-W704 HydrophobicContact CG-CZ2 4.13Å; F691-W704 HydrophobicContact CB-CZ2 4.01Å; F691-W704 PolarHBondContact O-NE1 3.13Å; L702-W704 VanDerWaalsContact C-N 3.29Å; L702-W704 PolarHBondContact O-N 3.28Å; W704-K708 HydrophobicContact CE3-CB 4.24Å; W704-R709 WeakPolarHBondContact CZ3-O 3.48Å; W704-P710 HydrophobicContact CB-CB 4.32Å; W704-P710 HydrophobicContact CB-CG 4.48Å; W704-P710 HydrophobicContact CD2-CB 3.83Å; W704-P710 VanDerWaalsContact CE3-CA 3.44Å; W704-P710 HydrophobicContact CE3-CB 3.98Å; W704-P710 HydrophobicContact CG-CB 4.01Å |
| 705 | Q | 82.2 | Confident | 87.4 | Confident | 62 Ų | 62 | 58.6 Ų | 58.6 | 29% | 0.29 | 31% | 0.308 | S | S | . | . | trans | -131.9 | 155.8 | 169.8 | 68.8 | -168.8 | -2.1 | 0 | 0 | 109.2 | S701 L702 F703 K708 | S701-Q705 PolarHBondContact OG-NE2 3.12Å; L702-Q705 VanDerWaalsContact O-CG 3.23Å; L702-Q705 WeakPolarHBondContact O-CG 3.39Å; L702-Q705 PolarHBondContact O-NE2 3.11Å; F703-Q705 PolarHBondContact O-N 3.06Å; Q705-K708 CarbonylContact C-O 3.41Å; Q705-K708 WeakPolarHBondContact O-CA 3.31Å; Q705-K708 WeakPolarHBondContact O-CB 3.32Å; Q705-K708 PolarHBondContact O-N 3.01Å | ||
| 706 | S | 80.2 | Confident | 87.7 | Confident | 19 Ų | 19 | 59 Ų | 59 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.1 | 133.4 | 179.2 | -63.7 | 0 | 0 | 0 | 0 | 110.8 | M201 G254 | M201-S706 WeakPolarHBondContact CE-O 3.45Å; G254-S706 WeakPolarHBondContact CA-OG 3.36Å |
| 707 | P | 79.8 | Confident | 88.1 | Confident | 45 Ų | 45 | 55.6 Ų | 55.6 | 29% | 0.292 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -85.7 | -1.9 | 9.7 | 35.2 | -34.8 | 0 | 0 | 0 | 114.9 | F186 M201 S601 R709 | F186-P707 HydrophobicContact CD2-CB 4.42Å; F186-P707 HydrophobicContact CE2-CB 4.3Å; F186-P707 HydrophobicContact CZ-CB 4.47Å; M201-P707 HydrophobicContact SD-CG 4.47Å; S601-P707 VanDerWaalsContact CB-O 3.22Å; S601-P707 WeakPolarHBondContact CB-O 3.42Å; P707-R709 PolarHBondContact O-N 3.26Å |
| 708 | K | 87.8 | Confident | 88.3 | Confident | 45 Ų | 45 | 53.3 Ų | 53.3 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | trans | -81.5 | 106.4 | -176.3 | -64.8 | 175.4 | -178.1 | 167.6 | 0 | 111.3 | F599 F703 W704 Q705 | F599-K708 HydrophobicContact CB-CG 4.32Å; F599-K708 HydrophobicContact CG-CG 4.47Å; F703-K708 HydrophobicContact CZ-CD 4.5Å; W704-K708 HydrophobicContact CE3-CB 4.24Å; Q705-K708 CarbonylContact C-O 3.41Å; Q705-K708 WeakPolarHBondContact O-CA 3.31Å; Q705-K708 WeakPolarHBondContact O-CB 3.32Å; Q705-K708 PolarHBondContact O-N 3.01Å | ||
| 709 | R | 87.5 | Confident | 88.8 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 6% | 0.06 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 129.8 | 177 | -59.8 | 172.5 | 175.9 | -100.3 | -7.4 | 110.3 | E218 S601 W704 P707 Y844 S845 | E218-R709 IonicContact OE1-CZ 2.73Å; E218-R709 IonicContact OE1-NH1 2.77Å; E218-R709 PolarHBondContact OE1-NH1 3.46Å; E218-R709 IonicContact OE1-NH2 2.73Å; E218-R709 PolarHBondContact OE1-NH2 3.39Å; E218-R709 IonicContact OE2-CZ 3.01Å; E218-R709 VanDerWaalsContact OE2-CZ 3.29Å; E218-R709 IonicContact OE2-NH1 3.15Å; E218-R709 PolarHBondContact OE2-NH1 2.95Å; E218-R709 IonicContact OE2-NH2 3.4Å; E218-R709 PolarHBondContact OE2-NH2 3.37Å; E218-R709 VanDerWaalsContact OE2-NH2 3.16Å; S601-R709 PolarHBondContact O-NE 3.2Å; S601-R709 VanDerWaalsContact O-NE 3.08Å; W704-R709 WeakPolarHBondContact CZ3-O 3.48Å; P707-R709 PolarHBondContact O-N 3.26Å; R709-Y844 HydrophobicContact CB-CD1 4.44Å; R709-Y844 WeakPolarHBondContact CB-O 3.5Å; R709-Y844 WeakPolarHBondContact CD-O 3.42Å; R709-Y844 VanDerWaalsContact O-CD1 3.28Å; R709-Y844 WeakPolarHBondContact O-CD1 3.42Å; R709-S845 PolarHBondContact NH1-O 3.03Å |
| 710 | P | 91.3 | Very high | 89.5 | Confident | 53 Ų | 53 | 46.5 Ų | 46.5 | 34% | 0.344 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 134.3 | 175.1 | 27 | -32.4 | 0 | 0 | 0 | 110.6 | L693 W704 | L693-P710 HydrophobicContact CD2-CB 3.56Å; L693-P710 HydrophobicContact CD2-CG 4.27Å; W704-P710 HydrophobicContact CB-CB 4.32Å; W704-P710 HydrophobicContact CB-CG 4.48Å; W704-P710 HydrophobicContact CD2-CB 3.83Å; W704-P710 VanDerWaalsContact CE3-CA 3.44Å; W704-P710 HydrophobicContact CE3-CB 3.98Å; W704-P710 HydrophobicContact CG-CB 4.01Å |
| 711 | P | 95.1 | Very high | 90.2 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.032 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 146.9 | 179.7 | 33.4 | -37.9 | 0 | 0 | 0 | 112 | A684 L687 L688 M843 Y844 | A684-P711 HydrophobicContact CB-CB 3.93Å; A684-P711 HydrophobicContact CB-CG 4.23Å; L687-P711 HydrophobicContact CB-CG 4.3Å; L687-P711 HydrophobicContact CD2-CG 4.01Å; L687-P711 HydrophobicContact CG-CG 4.48Å; L688-P711 HydrophobicContact CD2-CG 4.19Å; L688-P711 HydrophobicContact CG-CG 4.11Å; P711-M843 CarbonylContact C-O 3.41Å; P711-M843 WeakPolarHBondContact CA-O 3.44Å; P711-M843 HydrophobicContact CB-CE 4.41Å; P711-M843 HydrophobicContact CB-CG 4.24Å; P711-Y844 HydrophobicContact CB-CD1 4.03Å; P711-Y844 HydrophobicContact CB-CE1 3.71Å; P711-Y844 HydrophobicContact CG-CE1 4.25Å |
| 712 | T | 96.3 | Very high | 90.8 | Very high | 82 Ų | 82 | 49.6 Ų | 49.6 | 50% | 0.503 | 26% | 0.264 | S | S | . | . | trans | -107.8 | 118.9 | 167.6 | -57.2 | 0 | 0 | 0 | 0 | 109.1 | I714 M843 | T712-I714 PolarHBondContact O-N 2.86Å; T712-M843 PolarHBondContact N-O 2.8Å; T712-M843 VanDerWaalsContact O-CG 3.23Å; T712-M843 WeakPolarHBondContact O-CG 3.45Å | ||
| 713 | P | 96.2 | Very high | 91.4 | Very high | 34 Ų | 34 | 48.4 Ų | 48.4 | 22% | 0.221 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 132.2 | 177.7 | -21.7 | 31.2 | 0 | 0 | 0 | 112 | K681 A684 L685 L688 | K681-P713 HydrophobicContact CG-CB 3.92Å; A684-P713 HydrophobicContact CB-CB 4.11Å; A684-P713 HydrophobicContact CB-CG 3.9Å; L685-P713 HydrophobicContact CD2-CB 4.28Å; L685-P713 HydrophobicContact CD2-CG 3.63Å; L685-P713 HydrophobicContact CG-CB 4.24Å; L685-P713 HydrophobicContact CG-CG 3.95Å; L688-P713 HydrophobicContact CD1-CG 4.28Å |
| 714 | I | 97.4 | Very high | 91.8 | Very high | 24 Ų | 24 | 50 Ų | 50 | 12% | 0.123 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -93.2 | 121.8 | 179.7 | -55.9 | -59.6 | 0 | 0 | 0 | 110.4 | F676 F680 T712 I839 R842 M843 | F676-I714 HydrophobicContact CE1-CG2 4.27Å; F676-I714 HydrophobicContact CZ-CG2 3.86Å; F680-I714 HydrophobicContact CB-CB 3.94Å; F680-I714 HydrophobicContact CB-CG1 4.21Å; F680-I714 PolarHBondContact O-N 2.58Å; T712-I714 PolarHBondContact O-N 2.86Å; I714-I839 HydrophobicContact CG1-CG2 4.27Å; I714-I839 HydrophobicContact CG2-CG2 4.2Å; I714-R842 HydrophobicContact CD1-CB 4.48Å; I714-M843 HydrophobicContact CD1-CB 4.36Å; I714-M843 HydrophobicContact CG1-CB 3.98Å; I714-M843 HydrophobicContact CG1-CG 4.23Å |
| 715 | D | 96 | Very high | 92.2 | Very high | 105 Ų | 105 | 51.8 Ų | 51.8 | 56% | 0.561 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -80.2 | 137.1 | 168.7 | -73.4 | -53.5 | 0 | 0 | 0 | 110.9 | K681 D717 H723 | K681-D715 WeakPolarHBondContact CE-OD1 3.46Å; K681-D715 IonicContact NZ-OD1 3.38Å; K681-D715 PolarHBondContact NZ-OD1 2.87Å; D715-D717 PolarHBondContact O-N 3.27Å; D715-H723 PolarHBondContact O-CE1 2.87Å |
| 716 | F | 95.9 | Very high | 92.9 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 20% | 0.202 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 127.6 | 178.7 | 179.3 | -98.7 | 0 | 0 | 0 | 110.4 | F676 L718 H723 I727 L756 | F676-F716 HydrophobicContact CD1-CB 3.94Å; F676-F716 AromaticContact CD1-CD2 3.84Å; F676-F716 HydrophobicContact CD1-CD2 3.84Å; F676-F716 HydrophobicContact CD1-CG 4.34Å; F676-F716 AromaticContact CD2-CD2 3.99Å; F676-F716 HydrophobicContact CD2-CD2 3.99Å; F676-F716 HydrophobicContact CD2-CE2 4.48Å; F676-F716 HydrophobicContact CE1-CB 3.64Å; F676-F716 AromaticContact CE1-CD2 3.85Å; F676-F716 HydrophobicContact CE1-CD2 3.85Å; F676-F716 HydrophobicContact CE1-CG 4.26Å; F676-F716 AromaticContact CE2-CD2 3.95Å; F676-F716 HydrophobicContact CE2-CD2 3.95Å; F676-F716 AromaticContact CG-CD2 3.93Å; F676-F716 HydrophobicContact CG-CD2 3.93Å; F676-F716 HydrophobicContact CZ-CB 4.28Å; F676-F716 AromaticContact CZ-CD2 3.9Å; F676-F716 HydrophobicContact CZ-CD2 3.9Å; F716-L718 HydrophobicContact CE1-CB 4.28Å; F716-L718 HydrophobicContact CZ-CB 4.43Å; F716-L718 HydrophobicContact CZ-CD1 4.09Å; F716-H723 HydrophobicContact CD2-CB 4.25Å; F716-H723 HydrophobicContact CE2-CB 4.02Å; F716-I727 HydrophobicContact CE2-CD1 3.99Å; F716-I727 HydrophobicContact CE2-CG1 3.6Å; F716-I727 HydrophobicContact CZ-CG1 3.99Å; F716-L756 HydrophobicContact CE1-CD1 3.9Å; F716-L756 HydrophobicContact CZ-CD1 3.71Å |
| 717 | D | 94.7 | Very high | 93.8 | Very high | 82 Ų | 82 | 48 Ų | 48 | 44% | 0.439 | 26% | 0.258 | S | S | . | . | trans | -132.8 | 123.3 | 171.3 | -178.2 | 4.9 | 0 | 0 | 0 | 108.5 | D715 K719 D720 H723 | D715-D717 PolarHBondContact O-N 3.27Å; D717-K719 PolarHBondContact O-N 2.94Å; D717-K719 WeakPolarHBondContact OD1-CB 3.45Å; D717-K719 PolarHBondContact OD1-N 2.97Å; D717-D720 PolarHBondContact O-N 3.43Å; D717-H723 PolarHBondContact N-ND1 3.26Å; D717-H723 WeakPolarHBondContact O-CB 3.49Å; D717-H723 PolarHBondContact O-ND1 3.06Å | ||
| 718 | L | 91.4 | Very high | 94.6 | Very high | 26 Ų | 26 | 46.8 Ų | 46.8 | 14% | 0.136 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -28.2 | 179.5 | -172.2 | 65.9 | 0 | 0 | 0 | 112.1 | F716 D720 F724 E749 V752 S753 L756 | F716-L718 HydrophobicContact CE1-CB 4.28Å; F716-L718 HydrophobicContact CZ-CB 4.43Å; F716-L718 HydrophobicContact CZ-CD1 4.09Å; L718-D720 PolarHBondContact O-N 2.89Å; L718-F724 HydrophobicContact CD1-CD2 3.76Å; L718-E749 HydrophobicContact CD2-CG 4.22Å; L718-E749 HydrophobicContact CG-CG 4.42Å; L718-V752 HydrophobicContact CD1-CG1 4.19Å; L718-S753 VanDerWaalsContact CD2-CB 3.5Å; L718-L756 HydrophobicContact CD1-CD1 3.73Å |
| 719 | K | 92.8 | Very high | 95 | Very high | 172 Ų | 172 | 44.8 Ų | 44.8 | 75% | 0.748 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -15.3 | -179.5 | -63.9 | -177.4 | 177.7 | -178.5 | 0 | 113 | D717 P721 | D717-K719 PolarHBondContact O-N 2.94Å; D717-K719 WeakPolarHBondContact OD1-CB 3.45Å; D717-K719 PolarHBondContact OD1-N 2.97Å; K719-P721 WeakPolarHBondContact O-CD 3.34Å |
| 720 | D | 94.8 | Very high | 95.4 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 18% | 0.176 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -75.9 | 118.5 | 172.8 | -171.6 | -48.3 | 0 | 0 | 0 | 109.4 | D717 L718 L722 H723 F724 R842 | D717-D720 PolarHBondContact O-N 3.43Å; L718-D720 PolarHBondContact O-N 2.89Å; D720-L722 PolarHBondContact O-N 2.92Å; D720-L722 VanDerWaalsContact O-N 3.16Å; D720-L722 WeakPolarHBondContact OD1-CB 3.46Å; D720-L722 PolarHBondContact OD1-N 3.36Å; D720-H723 HydrophobicContact CB-CB 4.06Å; D720-H723 WeakPolarHBondContact CB-ND1 3.28Å; D720-H723 PolarHBondContact O-N 2.87Å; D720-H723 IonicContact OD2-CE1 2.9Å; D720-F724 PolarHBondContact O-N 3.22Å; D720-R842 IonicContact OD1-NH1 3.19Å; D720-R842 IonicContact OD2-CZ 3.97Å; D720-R842 IonicContact OD2-NH1 3.52Å; D720-R842 PolarHBondContact OD2-NH1 2.79Å |
| 721 | P | 94.4 | Very high | 95.7 | Very high | 93 Ų | 93 | 41.6 Ų | 41.6 | 60% | 0.604 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -57.8 | -32.2 | -177.5 | -25.6 | 34.9 | 0 | 0 | 0 | 114 | K719 T725 | K719-P721 WeakPolarHBondContact O-CD 3.34Å; P721-T725 VanDerWaalsContact O-CB 3.27Å; P721-T725 WeakPolarHBondContact O-CB 3.29Å; P721-T725 PolarHBondContact O-N 3.16Å; P721-T725 PolarHBondContact O-OG1 3.42Å |
| 722 | L | 94.2 | Very high | 95.8 | Very high | 37 Ų | 37 | 44 Ų | 44 | 19% | 0.194 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.5 | -40.7 | 177.9 | -66.9 | -175.5 | 0 | 0 | 0 | 111.5 | D720 T725 F726 I839 R842 | D720-L722 PolarHBondContact O-N 2.92Å; D720-L722 VanDerWaalsContact O-N 3.16Å; D720-L722 WeakPolarHBondContact OD1-CB 3.46Å; D720-L722 PolarHBondContact OD1-N 3.36Å; L722-T725 PolarHBondContact O-N 3.45Å; L722-F726 WeakPolarHBondContact O-CB 3.37Å; L722-F726 PolarHBondContact O-N 3.23Å; L722-I839 HydrophobicContact CB-CD1 4.46Å; L722-I839 HydrophobicContact CB-CG1 4.07Å; L722-R842 VanDerWaalsContact CD1-NH2 3.3Å |
| 723 | H | 96.8 | Very high | 95.8 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 5% | 0.046 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65 | -45.7 | 178.1 | -63.5 | 172.1 | 0 | 0 | 0 | 110.5 | F676 D715 F716 D717 D720 F726 I727 | F676-H723 HydrophobicContact CE2-CB 4.01Å; F676-H723 AromaticContact CE2-CD2 3.49Å; F676-H723 VanDerWaalsContact CE2-CD2 3.49Å; F676-H723 WeakPolarHBondContact CE2-CD2 3.23Å; F676-H723 AromaticContact CE2-CG 3.68Å; F676-H723 HydrophobicContact CZ-CB 4.46Å; F676-H723 AromaticContact CZ-CD2 3.6Å; F676-H723 AromaticContact CZ-CE1 3.92Å; F676-H723 AromaticContact CZ-CG 3.76Å; F676-H723 AromaticContact CZ-ND1 3.97Å; F676-H723 AromaticContact CZ-NE2 3.67Å; D715-H723 PolarHBondContact O-CE1 2.87Å; F716-H723 HydrophobicContact CD2-CB 4.25Å; F716-H723 HydrophobicContact CE2-CB 4.02Å; D717-H723 PolarHBondContact N-ND1 3.26Å; D717-H723 WeakPolarHBondContact O-CB 3.49Å; D717-H723 PolarHBondContact O-ND1 3.06Å; D720-H723 HydrophobicContact CB-CB 4.06Å; D720-H723 WeakPolarHBondContact CB-ND1 3.28Å; D720-H723 PolarHBondContact O-N 2.87Å; D720-H723 IonicContact OD2-CE1 2.9Å; H723-F726 PolarHBondContact O-N 3Å; H723-I727 WeakPolarHBondContact O-CG1 3.1Å; H723-I727 PolarHBondContact O-N 3.3Å |
| 724 | F | 96.2 | Very high | 95.8 | Very high | 45 Ų | 45 | 39.2 Ų | 39.2 | 20% | 0.197 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.1 | -49.7 | 175.2 | -179.6 | -103.9 | 0 | 0 | 0 | 111.6 | L718 D720 F726 I727 I728 E749 V752 | L718-F724 HydrophobicContact CD1-CD2 3.76Å; D720-F724 PolarHBondContact O-N 3.22Å; F724-F726 VanDerWaalsContact C-N 3.31Å; F724-F726 PolarHBondContact O-N 2.78Å; F724-I727 PolarHBondContact O-N 2.82Å; F724-I727 VanDerWaalsContact O-N 3.1Å; F724-I728 HydrophobicContact CD1-CG1 4.29Å; F724-I728 HydrophobicContact CD2-CG1 4.36Å; F724-I728 HydrophobicContact CE1-CG1 3.81Å; F724-I728 HydrophobicContact CE2-CD1 4.22Å; F724-I728 HydrophobicContact CE2-CG1 3.88Å; F724-I728 HydrophobicContact CZ-CD1 4.05Å; F724-I728 HydrophobicContact CZ-CG1 3.59Å; F724-I728 PolarHBondContact O-N 2.86Å; F724-E749 HydrophobicContact CE2-CB 4.27Å; F724-E749 HydrophobicContact CE2-CG 4.31Å; F724-E749 HydrophobicContact CZ-CB 4.49Å; F724-V752 HydrophobicContact CE2-CB 4.21Å; F724-V752 HydrophobicContact CE2-CG1 4.23Å; F724-V752 HydrophobicContact CE2-CG2 4.19Å |
| 725 | T | 95.5 | Very high | 95.8 | Very high | 54 Ų | 54 | 38.1 Ų | 38.1 | 33% | 0.331 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.5 | -40.9 | 179 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | P721 L722 S729 D831 | P721-T725 VanDerWaalsContact O-CB 3.27Å; P721-T725 WeakPolarHBondContact O-CB 3.29Å; P721-T725 PolarHBondContact O-N 3.16Å; P721-T725 PolarHBondContact O-OG1 3.42Å; L722-T725 PolarHBondContact O-N 3.45Å; T725-S729 VanDerWaalsContact O-CB 3.25Å; T725-S729 WeakPolarHBondContact O-CB 3.45Å; T725-S729 PolarHBondContact O-N 3.26Å; T725-S729 PolarHBondContact O-OG 2.97Å; T725-D831 HydrophobicContact CG2-CB 4.28Å |
| 726 | F | 97.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.4 | -44.7 | 174.9 | 174.7 | -91.2 | 0 | 0 | 0 | 112.1 | K675 F676 Y679 F680 L722 H723 F724 S729 A730 F832 S835 A836 I839 | K675-F726 HydrophobicContact CB-CZ 4.36Å; F676-F726 HydrophobicContact CB-CD1 4.11Å; F676-F726 HydrophobicContact CB-CE1 3.74Å; F676-F726 AromaticContact CD2-CD1 3.72Å; F676-F726 HydrophobicContact CD2-CD1 3.72Å; F676-F726 HydrophobicContact CD2-CE1 4.12Å; F676-F726 HydrophobicContact CD2-CG 4.41Å; F676-F726 HydrophobicContact CG-CD1 4.43Å; F676-F726 HydrophobicContact CG-CE1 4.44Å; Y679-F726 HydrophobicContact CD2-CZ 4.2Å; F680-F726 HydrophobicContact CE2-CD1 4.42Å; F680-F726 HydrophobicContact CE2-CD2 4.14Å; F680-F726 HydrophobicContact CE2-CE1 4.18Å; F680-F726 AromaticContact CE2-CE2 3.87Å; F680-F726 HydrophobicContact CE2-CE2 3.87Å; F680-F726 HydrophobicContact CE2-CG 4.39Å; F680-F726 AromaticContact CE2-CZ 3.89Å; F680-F726 HydrophobicContact CE2-CZ 3.89Å; F680-F726 HydrophobicContact CZ-CD2 4.33Å; F680-F726 HydrophobicContact CZ-CE2 4.03Å; F680-F726 HydrophobicContact CZ-CZ 4.43Å; L722-F726 WeakPolarHBondContact O-CB 3.37Å; L722-F726 PolarHBondContact O-N 3.23Å; H723-F726 PolarHBondContact O-N 3Å; F724-F726 VanDerWaalsContact C-N 3.31Å; F724-F726 PolarHBondContact O-N 2.78Å; F726-S729 PolarHBondContact O-OG 2.88Å; F726-A730 WeakPolarHBondContact O-CB 3.36Å; F726-A730 PolarHBondContact O-N 2.89Å; F726-F832 HydrophobicContact CD2-CE2 4.37Å; F726-F832 HydrophobicContact CE2-CD2 4.42Å; F726-F832 AromaticContact CE2-CE2 3.8Å; F726-F832 HydrophobicContact CE2-CE2 3.8Å; F726-F832 HydrophobicContact CE2-CZ 4.45Å; F726-F832 HydrophobicContact CZ-CE2 4.46Å; F726-S835 WeakPolarHBondContact CA-OG 3.46Å; F726-A836 HydrophobicContact CD2-CB 3.9Å; F726-A836 HydrophobicContact CE2-CB 3.89Å; F726-I839 HydrophobicContact CB-CD1 3.75Å; F726-I839 HydrophobicContact CD2-CD1 4.49Å; F726-I839 HydrophobicContact CG-CD1 4.16Å |
| 727 | I | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.2 | -49.7 | 179.7 | -67.3 | -63.9 | 0 | 0 | 0 | 110.8 | I669 A672 R673 F676 F716 H723 F724 A731 V752 | I669-I727 HydrophobicContact CD1-CG2 3.85Å; I669-I727 HydrophobicContact CG2-CG2 4.16Å; A672-I727 HydrophobicContact CB-CD1 4.11Å; A672-I727 HydrophobicContact CB-CG2 4.41Å; R673-I727 HydrophobicContact CB-CD1 4.1Å; F676-I727 HydrophobicContact CB-CD1 4.34Å; F716-I727 HydrophobicContact CE2-CD1 3.99Å; F716-I727 HydrophobicContact CE2-CG1 3.6Å; F716-I727 HydrophobicContact CZ-CG1 3.99Å; H723-I727 WeakPolarHBondContact O-CG1 3.1Å; H723-I727 PolarHBondContact O-N 3.3Å; F724-I727 PolarHBondContact O-N 2.82Å; F724-I727 VanDerWaalsContact O-N 3.1Å; I727-A731 WeakPolarHBondContact O-CB 3.49Å; I727-A731 PolarHBondContact O-N 2.68Å; I727-V752 HydrophobicContact CG2-CG1 4.19Å |
| 728 | I | 96.3 | Very high | 95.6 | Very high | 19 Ų | 19 | 30.8 Ų | 30.8 | 10% | 0.097 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.1 | -53.6 | -179.2 | -70.7 | -59.2 | 0 | 0 | 0 | 111 | I669 F724 A730 A731 R732 L747 V752 | I669-I728 HydrophobicContact CD1-CD1 4.45Å; F724-I728 HydrophobicContact CD1-CG1 4.29Å; F724-I728 HydrophobicContact CD2-CG1 4.36Å; F724-I728 HydrophobicContact CE1-CG1 3.81Å; F724-I728 HydrophobicContact CE2-CD1 4.22Å; F724-I728 HydrophobicContact CE2-CG1 3.88Å; F724-I728 HydrophobicContact CZ-CD1 4.05Å; F724-I728 HydrophobicContact CZ-CG1 3.59Å; F724-I728 PolarHBondContact O-N 2.86Å; I728-A730 PolarHBondContact O-N 3.4Å; I728-A731 PolarHBondContact O-N 3.45Å; I728-R732 HydrophobicContact CG2-CG 4.27Å; I728-R732 WeakPolarHBondContact O-CB 3.47Å; I728-R732 VanDerWaalsContact O-CG 3.29Å; I728-R732 WeakPolarHBondContact O-CG 3.35Å; I728-R732 PolarHBondContact O-N 3.47Å; I728-L747 HydrophobicContact CD1-CD2 4.42Å; I728-L747 HydrophobicContact CG2-CD2 4.35Å; I728-V752 HydrophobicContact CD1-CG2 3.51Å |
| 729 | S | 96.3 | Very high | 95.7 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.028 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61 | -45.4 | -178 | 58.5 | 0 | 0 | 0 | 0 | 111.6 | T725 F726 A731 R732 L733 F832 | T725-S729 VanDerWaalsContact O-CB 3.25Å; T725-S729 WeakPolarHBondContact O-CB 3.45Å; T725-S729 PolarHBondContact O-N 3.26Å; T725-S729 PolarHBondContact O-OG 2.97Å; F726-S729 PolarHBondContact O-OG 2.88Å; S729-A731 PolarHBondContact O-N 3.03Å; S729-R732 PolarHBondContact O-N 3.48Å; S729-L733 VanDerWaalsContact O-CG 3.23Å; S729-L733 WeakPolarHBondContact O-CG 3.33Å; S729-L733 PolarHBondContact O-N 3.41Å; S729-F832 WeakPolarHBondContact OG-CA 3.5Å |
| 730 | A | 97.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 2% | 0.017 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.1 | -40.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A672 F726 I728 Y734 F832 | A672-A730 HydrophobicContact CB-CB 3.89Å; F726-A730 WeakPolarHBondContact O-CB 3.36Å; F726-A730 PolarHBondContact O-N 2.89Å; I728-A730 PolarHBondContact O-N 3.4Å; A730-Y734 WeakPolarHBondContact O-CD2 3.2Å; A730-Y734 PolarHBondContact O-N 3.07Å; A730-F832 HydrophobicContact CB-CD2 3.96Å; A730-F832 HydrophobicContact CB-CE2 3.94Å |
| 731 | A | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.3 | -41.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | W665 C668 I669 A672 I727 I728 S729 Y734 A735 | W665-A731 HydrophobicContact CH2-CB 3.69Å; W665-A731 HydrophobicContact CZ2-CB 4.19Å; W665-A731 HydrophobicContact CZ3-CB 4.06Å; C668-A731 HydrophobicContact CB-CB 4.12Å; I669-A731 HydrophobicContact CD1-CB 3.49Å; I669-A731 VanDerWaalsContact CD1-CB 3.49Å; I669-A731 HydrophobicContact CG1-CB 4.06Å; A672-A731 HydrophobicContact CB-CB 4.29Å; I727-A731 WeakPolarHBondContact O-CB 3.49Å; I727-A731 PolarHBondContact O-N 2.68Å; I728-A731 PolarHBondContact O-N 3.45Å; S729-A731 PolarHBondContact O-N 3.03Å; A731-Y734 PolarHBondContact O-N 3.4Å; A731-A735 WeakPolarHBondContact O-CB 3.24Å; A731-A735 PolarHBondContact O-N 3.42Å |
| 732 | R | 96.4 | Very high | 95.6 | Very high | 56 Ų | 56 | 31.7 Ų | 31.7 | 21% | 0.211 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.8 | -47.5 | 173.7 | -72.1 | 176 | 65.8 | -154.4 | -5 | 111.2 | W665 I728 S729 Y734 A735 E736 Y742 L747 S826 | W665-R732 HydrophobicContact CH2-CG 3.84Å; W665-R732 HydrophobicContact CZ3-CG 4.35Å; I728-R732 HydrophobicContact CG2-CG 4.27Å; I728-R732 WeakPolarHBondContact O-CB 3.47Å; I728-R732 VanDerWaalsContact O-CG 3.29Å; I728-R732 WeakPolarHBondContact O-CG 3.35Å; I728-R732 PolarHBondContact O-N 3.47Å; S729-R732 PolarHBondContact O-N 3.48Å; R732-Y734 PolarHBondContact O-N 3.15Å; R732-A735 WeakPolarHBondContact O-CB 3.47Å; R732-A735 PolarHBondContact O-N 3.31Å; R732-E736 PolarHBondContact O-N 2.71Å; R732-Y742 HydrophobicContact CG-CE1 4.48Å; R732-Y742 HydrophobicContact CG-CE2 4.2Å; R732-Y742 PolarHBondContact NE-OH 2.69Å; R732-Y742 VanDerWaalsContact NE-OH 3.16Å; R732-L747 HydrophobicContact CG-CD2 4.14Å; R732-S826 PolarHBondContact NH2-O 2.88Å |
| 733 | L | 97.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.7 | -39.1 | 178.8 | -64.1 | 172 | 0 | 0 | 0 | 112.6 | F614 F618 S729 E736 V737 L818 F832 | F614-L733 HydrophobicContact CD2-CD1 3.92Å; F614-L733 HydrophobicContact CE2-CD1 3.71Å; F614-L733 HydrophobicContact CE2-CD2 4.1Å; F618-L733 HydrophobicContact CD1-CB 3.73Å; F618-L733 HydrophobicContact CD2-CB 4.29Å; F618-L733 HydrophobicContact CD2-CD1 3.94Å; F618-L733 HydrophobicContact CE1-CB 3.5Å; F618-L733 VanDerWaalsContact CE1-CB 3.5Å; F618-L733 HydrophobicContact CE1-CD1 4.47Å; F618-L733 HydrophobicContact CE2-CB 4.1Å; F618-L733 HydrophobicContact CE2-CD1 3.54Å; F618-L733 HydrophobicContact CE2-CG 4.46Å; F618-L733 HydrophobicContact CG-CB 4.13Å; F618-L733 HydrophobicContact CZ-CB 3.7Å; F618-L733 HydrophobicContact CZ-CD1 3.84Å; F618-L733 HydrophobicContact CZ-CG 4.44Å; S729-L733 VanDerWaalsContact O-CG 3.23Å; S729-L733 WeakPolarHBondContact O-CG 3.33Å; S729-L733 PolarHBondContact O-N 3.41Å; L733-E736 PolarHBondContact O-N 3.28Å; L733-V737 VanDerWaalsContact O-CG2 3.32Å; L733-V737 WeakPolarHBondContact O-CG2 3.25Å; L733-V737 PolarHBondContact O-N 2.78Å; L733-L818 HydrophobicContact CB-CD1 4.25Å; L733-L818 HydrophobicContact CD2-CD1 3.75Å; L733-F832 HydrophobicContact CD1-CB 3.67Å; L733-F832 HydrophobicContact CD1-CD1 4.44Å; L733-F832 HydrophobicContact CD1-CD2 4.18Å; L733-F832 HydrophobicContact CD1-CG 3.83Å |
| 734 | Y | 96.8 | Very high | 95 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 6% | 0.055 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.4 | -43.2 | 171.9 | -81.4 | -56.2 | 0 | 0 | 0 | 111.8 | F618 I671 K675 A730 A731 R732 E736 V737 Y738 | F618-Y734 HydrophobicContact CD1-CD1 4.34Å; F618-Y734 HydrophobicContact CD1-CE1 4.3Å; F618-Y734 AromaticContact CE1-CD1 3.88Å; F618-Y734 HydrophobicContact CE1-CD1 3.88Å; F618-Y734 HydrophobicContact CE1-CD2 4.05Å; F618-Y734 AromaticContact CE1-CE1 3.8Å; F618-Y734 HydrophobicContact CE1-CE1 3.8Å; F618-Y734 AromaticContact CE1-CE2 3.98Å; F618-Y734 HydrophobicContact CE1-CE2 3.98Å; F618-Y734 AromaticContact CE1-CG 3.99Å; F618-Y734 HydrophobicContact CE1-CG 3.99Å; F618-Y734 AromaticContact CE1-CZ 3.84Å; F618-Y734 HydrophobicContact CZ-CE2 4.34Å; I671-Y734 HydrophobicContact CB-CD2 4.42Å; I671-Y734 HydrophobicContact CG2-CD2 3.76Å; I671-Y734 HydrophobicContact CG2-CE1 4.38Å; I671-Y734 HydrophobicContact CG2-CE2 3.45Å; I671-Y734 VanDerWaalsContact CG2-CE2 3.45Å; I671-Y734 HydrophobicContact CG2-CG 4.35Å; K675-Y734 VanDerWaalsContact CE-OH 3.28Å; K675-Y734 WeakPolarHBondContact CE-OH 3.39Å; K675-Y734 HydrophobicContact CG-CE2 4.46Å; A730-Y734 WeakPolarHBondContact O-CD2 3.2Å; A730-Y734 PolarHBondContact O-N 3.07Å; A731-Y734 PolarHBondContact O-N 3.4Å; R732-Y734 PolarHBondContact O-N 3.15Å; Y734-E736 VanDerWaalsContact C-N 3.29Å; Y734-E736 PolarHBondContact O-N 3.23Å; Y734-V737 PolarHBondContact O-N 3.17Å; Y734-Y738 HydrophobicContact CD1-CD2 4.4Å; Y734-Y738 AromaticContact CD1-CE2 3.83Å; Y734-Y738 HydrophobicContact CD1-CE2 3.83Å; Y734-Y738 WeakPolarHBondContact O-CD2 3.5Å; Y734-Y738 PolarHBondContact O-N 2.76Å; Y734-Y738 VanDerWaalsContact O-N 3.09Å |
| 735 | A | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.7 | -42.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | W665 A731 R732 Y738 D739 I740 Y742 | W665-A735 HydrophobicContact CE3-CB 3.9Å; W665-A735 HydrophobicContact CZ3-CB 3.79Å; A731-A735 WeakPolarHBondContact O-CB 3.24Å; A731-A735 PolarHBondContact O-N 3.42Å; R732-A735 WeakPolarHBondContact O-CB 3.47Å; R732-A735 PolarHBondContact O-N 3.31Å; A735-Y738 CarbonylContact O-C 3.59Å; A735-Y738 PolarHBondContact O-N 3.46Å; A735-D739 WeakPolarHBondContact O-CA 3.37Å; A735-D739 PolarHBondContact O-N 2.89Å; A735-I740 HydrophobicContact CB-CB 4.15Å; A735-I740 PolarHBondContact O-N 3.1Å; A735-Y742 HydrophobicContact CB-CD1 4.03Å; A735-Y742 HydrophobicContact CB-CE1 4.24Å |
| 736 | E | 95.3 | Very high | 94.3 | Very high | 59 Ų | 59 | 43.8 Ų | 43.8 | 28% | 0.276 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.6 | -41.9 | 177.6 | -165.3 | -179.6 | 168 | 0 | 0 | 113.1 | R732 L733 Y734 Y738 D739 R816 L818 | R732-E736 PolarHBondContact O-N 2.71Å; L733-E736 PolarHBondContact O-N 3.28Å; Y734-E736 VanDerWaalsContact C-N 3.29Å; Y734-E736 PolarHBondContact O-N 3.23Å; E736-Y738 PolarHBondContact O-N 3.4Å; E736-D739 PolarHBondContact O-N 3.33Å; E736-R816 IonicContact OE1-CZ 2.69Å; E736-R816 IonicContact OE1-NE 3.31Å; E736-R816 IonicContact OE1-NH1 2.68Å; E736-R816 IonicContact OE1-NH2 2.88Å; E736-L818 HydrophobicContact CB-CD1 4.2Å; E736-L818 HydrophobicContact CB-CD2 4.31Å; E736-L818 HydrophobicContact CG-CD1 4.46Å; E736-L818 HydrophobicContact CG-CD2 3.77Å; E736-L818 WeakPolarHBondContact OE1-CD2 3.28Å |
| 737 | V | 95.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.7 | -37 | 175.6 | 166.4 | 0 | 0 | 0 | 0 | 112.2 | F618 P622 L733 Y734 M815 R816 L818 | F618-V737 HydrophobicContact CB-CG2 4.06Å; F618-V737 HydrophobicContact CD1-CG2 4.07Å; P622-V737 HydrophobicContact CB-CG1 4.31Å; P622-V737 HydrophobicContact CG-CG1 3.54Å; P622-V737 HydrophobicContact CG-CG2 4.3Å; L733-V737 VanDerWaalsContact O-CG2 3.32Å; L733-V737 WeakPolarHBondContact O-CG2 3.25Å; L733-V737 PolarHBondContact O-N 2.78Å; Y734-V737 PolarHBondContact O-N 3.17Å; V737-M815 HydrophobicContact CG1-CB 4.2Å; V737-M815 HydrophobicContact CG1-CG 4.49Å; V737-M815 HydrophobicContact CG1-SD 4.19Å; V737-M815 WeakPolarHBondContact O-CA 3.46Å; V737-R816 WeakPolarHBondContact CA-O 3.34Å; V737-R816 PolarHBondContact O-N 3.01Å; V737-L818 HydrophobicContact CG2-CD1 3.89Å; V737-L818 HydrophobicContact CG2-CG 3.79Å |
| 738 | Y | 92.8 | Very high | 93.6 | Very high | 19 Ų | 19 | 48 Ų | 48 | 8% | 0.075 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -98.5 | 1.7 | -175.4 | -69 | -67.5 | 0 | 0 | 0 | 114.3 | R661 P662 Y734 A735 E736 M815 | R661-Y738 HydrophobicContact CB-CE1 4.38Å; R661-Y738 HydrophobicContact CG-CD1 3.71Å; R661-Y738 HydrophobicContact CG-CE1 3.86Å; R661-Y738 PolarHBondContact NH2-O 3.07Å; P662-Y738 HydrophobicContact CG-CD1 4.46Å; P662-Y738 HydrophobicContact CG-CD2 3.32Å; P662-Y738 HydrophobicContact CG-CE2 3.74Å; P662-Y738 HydrophobicContact CG-CG 3.77Å; Y734-Y738 HydrophobicContact CD1-CD2 4.4Å; Y734-Y738 AromaticContact CD1-CE2 3.83Å; Y734-Y738 HydrophobicContact CD1-CE2 3.83Å; Y734-Y738 WeakPolarHBondContact O-CD2 3.5Å; Y734-Y738 PolarHBondContact O-N 2.76Å; Y734-Y738 VanDerWaalsContact O-N 3.09Å; A735-Y738 CarbonylContact O-C 3.59Å; A735-Y738 PolarHBondContact O-N 3.46Å; E736-Y738 PolarHBondContact O-N 3.4Å; Y738-M815 HydrophobicContact CD1-CE 4.38Å; Y738-M815 HydrophobicContact CD1-CG 4.39Å; Y738-M815 HydrophobicContact CD1-SD 4.42Å; Y738-M815 HydrophobicContact CE1-CE 3.5Å; Y738-M815 VanDerWaalsContact CE1-CE 3.5Å; Y738-M815 HydrophobicContact CE1-CG 4.3Å; Y738-M815 HydrophobicContact CE1-SD 3.79Å |
| 739 | D | 92.4 | Very high | 93.3 | Very high | 143 Ų | 143 | 52.1 Ų | 52.1 | 77% | 0.765 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 51.5 | -176.4 | -160 | 36.5 | 0 | 0 | 0 | 113.9 | A735 E736 | A735-D739 WeakPolarHBondContact O-CA 3.37Å; A735-D739 PolarHBondContact O-N 2.89Å; E736-D739 PolarHBondContact O-N 3.33Å |
| 740 | I | 93.8 | Very high | 93 | Very high | 23 Ų | 23 | 58 Ų | 58 | 12% | 0.118 | 31% | 0.307 | C | S | . | . | trans | -107.1 | 121.3 | -178.9 | -61.1 | 170.1 | 0 | 0 | 0 | 109.5 | P662 A735 | P662-I740 HydrophobicContact CB-CD1 3.84Å; P662-I740 HydrophobicContact CG-CD1 3.76Å; P662-I740 WeakPolarHBondContact O-CD1 3.48Å; A735-I740 HydrophobicContact CB-CB 4.15Å; A735-I740 PolarHBondContact O-N 3.1Å | ||
| 741 | A | 92.8 | Very high | 92.7 | Very high | 92 Ų | 92 | 58.8 Ų | 58.8 | 76% | 0.76 | 31% | 0.312 | S | S | * | . | trans | -71.8 | 147.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 742 | Y | 93.6 | Very high | 92.4 | Very high | 84 Ų | 84 | 58.8 Ų | 58.8 | 33% | 0.329 | 31% | 0.312 | S | S | . | . | trans | -146.4 | 157.8 | 171.7 | 62.6 | -88.2 | 0 | 0 | 0 | 109.7 | W665 R732 A735 L747 | W665-Y742 HydrophobicContact CD2-CG 4.33Å; W665-Y742 AromaticContact CE3-CD1 3.88Å; W665-Y742 HydrophobicContact CE3-CD1 3.88Å; W665-Y742 AromaticContact CE3-CG 3.82Å; W665-Y742 HydrophobicContact CE3-CG 3.82Å; W665-Y742 HydrophobicContact CH2-CD2 4.49Å; W665-Y742 HydrophobicContact CH2-CG 4.35Å; W665-Y742 AromaticContact CZ3-CD1 3.75Å; W665-Y742 HydrophobicContact CZ3-CD1 3.75Å; W665-Y742 HydrophobicContact CZ3-CD2 4.4Å; W665-Y742 HydrophobicContact CZ3-CE1 4.25Å; W665-Y742 AromaticContact CZ3-CG 3.83Å; W665-Y742 HydrophobicContact CZ3-CG 3.83Å; R732-Y742 HydrophobicContact CG-CE1 4.48Å; R732-Y742 HydrophobicContact CG-CE2 4.2Å; R732-Y742 PolarHBondContact NE-OH 2.69Å; R732-Y742 VanDerWaalsContact NE-OH 3.16Å; A735-Y742 HydrophobicContact CB-CD1 4.03Å; A735-Y742 HydrophobicContact CB-CE1 4.24Å; Y742-L747 HydrophobicContact CD2-CD1 4.43Å; Y742-L747 HydrophobicContact CD2-CD2 3.79Å; Y742-L747 HydrophobicContact CD2-CG 4.16Å; Y742-L747 HydrophobicContact CE2-CD1 4.06Å; Y742-L747 HydrophobicContact CE2-CD2 3.82Å; Y742-L747 HydrophobicContact CE2-CG 4.23Å | ||
| 743 | S | 91.4 | Very high | 92.2 | Very high | 54 Ų | 54 | 58.8 Ų | 58.8 | 38% | 0.378 | 32% | 0.321 | S | S | . | . | trans | -108.1 | 167.7 | 178.4 | 69.7 | 0 | 0 | 0 | 0 | 112.1 | N745 D746 | S743-N745 VanDerWaalsContact C-N 3.26Å; S743-N745 PolarHBondContact O-N 2.7Å; S743-D746 WeakPolarHBondContact CB-OD2 3.46Å; S743-D746 PolarHBondContact N-OD2 3.46Å; S743-D746 VanDerWaalsContact O-CB 3.29Å; S743-D746 WeakPolarHBondContact O-CB 3.46Å; S743-D746 PolarHBondContact O-N 3.41Å; S743-D746 VanDerWaalsContact OG-CG 3.27Å; S743-D746 PolarHBondContact OG-N 2.88Å; S743-D746 PolarHBondContact OG-OD2 3.41Å | ||
| 744 | E | 87.1 | Confident | 92 | Very high | 176 Ų | 176 | 66.3 Ų | 66.3 | 82% | 0.822 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -60.3 | -35.8 | 174.8 | -69.7 | -173.1 | 164.4 | 0 | 0 | 112.6 | D746 L747 | E744-D746 PolarHBondContact O-N 3.06Å; E744-L747 WeakPolarHBondContact O-CB 3.41Å; E744-L747 PolarHBondContact O-N 3.5Å |
| 745 | N | 88.4 | Confident | 91.8 | Very high | 124 Ų | 124 | 66.4 Ų | 66.4 | 66% | 0.663 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -62.6 | -28.5 | 175.7 | -73.2 | -26.2 | 0 | 0 | 0 | 112.5 | S743 L747 S748 T751 | S743-N745 VanDerWaalsContact C-N 3.26Å; S743-N745 PolarHBondContact O-N 2.7Å; N745-L747 PolarHBondContact O-N 3.28Å; N745-S748 WeakPolarHBondContact O-CB 3.39Å; N745-S748 PolarHBondContact O-N 3.47Å; N745-S748 PolarHBondContact O-OG 2.94Å; N745-T751 WeakPolarHBondContact O-CB 3.48Å; N745-T751 PolarHBondContact O-OG1 2.85Å; N745-T751 VanDerWaalsContact O-OG1 3.11Å |
| 746 | D | 89.5 | Confident | 91.7 | Very high | 47 Ų | 47 | 67.4 Ų | 67.4 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -72.5 | -16.6 | 177.4 | -65.7 | -51.3 | 0 | 0 | 0 | 113.1 | W665 S743 E744 | W665-D746 HydrophobicContact CG-CB 4.33Å; W665-D746 PolarHBondContact NE1-O 3.31Å; W665-D746 VanDerWaalsContact NE1-O 3.12Å; S743-D746 WeakPolarHBondContact CB-OD2 3.46Å; S743-D746 PolarHBondContact N-OD2 3.46Å; S743-D746 VanDerWaalsContact O-CB 3.29Å; S743-D746 WeakPolarHBondContact O-CB 3.46Å; S743-D746 PolarHBondContact O-N 3.41Å; S743-D746 VanDerWaalsContact OG-CG 3.27Å; S743-D746 PolarHBondContact OG-N 2.88Å; S743-D746 PolarHBondContact OG-OD2 3.41Å; E744-D746 PolarHBondContact O-N 3.06Å |
| 747 | L | 89.4 | Confident | 91.4 | Very high | 45 Ų | 45 | 69 Ų | 69 | 24% | 0.236 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -90.8 | -12 | 176.7 | -54.3 | 179.5 | 0 | 0 | 0 | 112.9 | W665 I728 R732 Y742 E744 N745 | W665-L747 HydrophobicContact CH2-CD2 3.84Å; W665-L747 HydrophobicContact CZ2-CD2 3.66Å; I728-L747 HydrophobicContact CD1-CD2 4.42Å; I728-L747 HydrophobicContact CG2-CD2 4.35Å; R732-L747 HydrophobicContact CG-CD2 4.14Å; Y742-L747 HydrophobicContact CD2-CD1 4.43Å; Y742-L747 HydrophobicContact CD2-CD2 3.79Å; Y742-L747 HydrophobicContact CD2-CG 4.16Å; Y742-L747 HydrophobicContact CE2-CD1 4.06Å; Y742-L747 HydrophobicContact CE2-CD2 3.82Å; Y742-L747 HydrophobicContact CE2-CG 4.23Å; E744-L747 WeakPolarHBondContact O-CB 3.41Å; E744-L747 PolarHBondContact O-N 3.5Å; N745-L747 PolarHBondContact O-N 3.28Å |
| 748 | S | 90.6 | Very high | 91.1 | Very high | 45 Ų | 45 | 73.3 Ų | 73.3 | 32% | 0.315 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -63.6 | 145.7 | -179.5 | 64.6 | 0 | 0 | 0 | 0 | 112.4 | N745 D750 T751 V752 | N745-S748 WeakPolarHBondContact O-CB 3.39Å; N745-S748 PolarHBondContact O-N 3.47Å; N745-S748 PolarHBondContact O-OG 2.94Å; S748-D750 PolarHBondContact O-N 2.8Å; S748-T751 PolarHBondContact O-N 3.12Å; S748-T751 VanDerWaalsContact O-N 3.16Å; S748-T751 WeakPolarHBondContact OG-CB 3.41Å; S748-T751 PolarHBondContact OG-N 3.08Å; S748-T751 PolarHBondContact OG-OG1 3.38Å; S748-T751 VanDerWaalsContact OG-OG1 3.11Å; S748-V752 VanDerWaalsContact O-CG2 3.31Å; S748-V752 WeakPolarHBondContact O-CG2 3.35Å; S748-V752 PolarHBondContact O-N 2.89Å |
| 749 | E | 90 | Very high | 91.1 | Very high | 105 Ų | 105 | 73.3 Ų | 73.3 | 49% | 0.491 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -55.8 | -40 | 179.7 | -167.5 | 179.2 | 159.6 | 0 | 0 | 111.9 | L718 F724 T751 V752 S753 | L718-E749 HydrophobicContact CD2-CG 4.22Å; L718-E749 HydrophobicContact CG-CG 4.42Å; F724-E749 HydrophobicContact CE2-CB 4.27Å; F724-E749 HydrophobicContact CE2-CG 4.31Å; F724-E749 HydrophobicContact CZ-CB 4.49Å; E749-T751 PolarHBondContact O-N 2.99Å; E749-V752 PolarHBondContact O-N 3.26Å; E749-S753 WeakPolarHBondContact O-CB 3.31Å; E749-S753 PolarHBondContact O-N 3.36Å |
| 750 | D | 89.8 | Confident | 91 | Very high | 127 Ų | 127 | 75.7 Ų | 75.7 | 68% | 0.679 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.2 | -42.5 | 178.4 | -71.6 | -37.1 | 0 | 0 | 0 | 113.1 | S748 R754 | S748-D750 PolarHBondContact O-N 2.8Å; D750-R754 WeakPolarHBondContact O-CG 3.31Å; D750-R754 PolarHBondContact O-N 2.78Å; D750-R754 PolarHBondContact O-NE 2.87Å |
| 751 | T | 90.5 | Very high | 90.9 | Very high | 19 Ų | 19 | 77.3 Ų | 77.3 | 12% | 0.117 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -70.8 | -43.1 | 178.5 | -62.6 | 0 | 0 | 0 | 0 | 111 | N745 S748 E749 S753 R754 I755 | N745-T751 WeakPolarHBondContact O-CB 3.48Å; N745-T751 PolarHBondContact O-OG1 2.85Å; N745-T751 VanDerWaalsContact O-OG1 3.11Å; S748-T751 PolarHBondContact O-N 3.12Å; S748-T751 VanDerWaalsContact O-N 3.16Å; S748-T751 WeakPolarHBondContact OG-CB 3.41Å; S748-T751 PolarHBondContact OG-N 3.08Å; S748-T751 PolarHBondContact OG-OG1 3.38Å; S748-T751 VanDerWaalsContact OG-OG1 3.11Å; E749-T751 PolarHBondContact O-N 2.99Å; T751-S753 VanDerWaalsContact C-N 3.34Å; T751-S753 PolarHBondContact O-N 2.87Å; T751-R754 PolarHBondContact O-N 3.07Å; T751-R754 PolarHBondContact OG1-NH2 3.05Å; T751-I755 HydrophobicContact CG2-CD1 4.07Å; T751-I755 WeakPolarHBondContact O-CG1 3.28Å; T751-I755 PolarHBondContact O-N 3.2Å; T751-I755 VanDerWaalsContact O-N 3.08Å |
| 752 | V | 92.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 177.1 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | I669 L718 F724 I727 I728 S748 E749 R754 I755 L756 | I669-V752 HydrophobicContact CD1-CG2 4.42Å; L718-V752 HydrophobicContact CD1-CG1 4.19Å; F724-V752 HydrophobicContact CE2-CB 4.21Å; F724-V752 HydrophobicContact CE2-CG1 4.23Å; F724-V752 HydrophobicContact CE2-CG2 4.19Å; I727-V752 HydrophobicContact CG2-CG1 4.19Å; I728-V752 HydrophobicContact CD1-CG2 3.51Å; S748-V752 VanDerWaalsContact O-CG2 3.31Å; S748-V752 WeakPolarHBondContact O-CG2 3.35Å; S748-V752 PolarHBondContact O-N 2.89Å; E749-V752 PolarHBondContact O-N 3.26Å; V752-R754 PolarHBondContact O-N 2.85Å; V752-I755 PolarHBondContact O-N 3.19Å; V752-L756 HydrophobicContact CG1-CD1 3.67Å; V752-L756 HydrophobicContact CG1-CG 4.15Å; V752-L756 WeakPolarHBondContact O-CB 3.48Å; V752-L756 VanDerWaalsContact O-CG 3.26Å; V752-L756 WeakPolarHBondContact O-CG 3.36Å; V752-L756 PolarHBondContact O-N 3.48Å |
| 753 | S | 92.3 | Very high | 90.4 | Very high | 56 Ų | 56 | 80.2 Ų | 80.2 | 39% | 0.392 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -56.9 | -49 | 176.8 | -174.6 | 0 | 0 | 0 | 0 | 112.1 | L718 E749 T751 I755 L756 S757 | L718-S753 VanDerWaalsContact CD2-CB 3.5Å; E749-S753 WeakPolarHBondContact O-CB 3.31Å; E749-S753 PolarHBondContact O-N 3.36Å; T751-S753 VanDerWaalsContact C-N 3.34Å; T751-S753 PolarHBondContact O-N 2.87Å; S753-I755 VanDerWaalsContact C-N 3.3Å; S753-I755 PolarHBondContact O-N 3.48Å; S753-L756 PolarHBondContact O-N 3.04Å; S753-S757 PolarHBondContact O-N 3.37Å |
| 754 | R | 92.3 | Very high | 90.3 | Very high | 158 Ų | 158 | 80.8 Ų | 80.8 | 60% | 0.596 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.5 | -35.8 | 176.6 | -72.7 | -178.4 | -66.3 | 157.6 | -0.3 | 113.1 | D750 T751 V752 S757 | D750-R754 WeakPolarHBondContact O-CG 3.31Å; D750-R754 PolarHBondContact O-N 2.78Å; D750-R754 PolarHBondContact O-NE 2.87Å; T751-R754 PolarHBondContact O-N 3.07Å; T751-R754 PolarHBondContact OG1-NH2 3.05Å; V752-R754 PolarHBondContact O-N 2.85Å; R754-S757 PolarHBondContact O-OG 2.91Å |
| 755 | I | 92.6 | Very high | 90.3 | Very high | 17 Ų | 17 | 82 Ų | 82 | 9% | 0.087 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -70.1 | -43.9 | 176.2 | -69.8 | 167.1 | 0 | 0 | 0 | 110.3 | K666 I669 T751 V752 S753 S757 D758 | K666-I755 HydrophobicContact CB-CD1 4.45Å; K666-I755 HydrophobicContact CB-CG2 4.45Å; K666-I755 HydrophobicContact CD-CG1 4.5Å; K666-I755 HydrophobicContact CD-CG2 4.5Å; K666-I755 HydrophobicContact CG-CB 4.36Å; K666-I755 HydrophobicContact CG-CD1 4.44Å; K666-I755 HydrophobicContact CG-CG1 4.04Å; K666-I755 HydrophobicContact CG-CG2 3.59Å; I669-I755 HydrophobicContact CB-CG2 3.79Å; I669-I755 HydrophobicContact CG2-CB 4.32Å; I669-I755 HydrophobicContact CG2-CG2 3.54Å; T751-I755 HydrophobicContact CG2-CD1 4.07Å; T751-I755 WeakPolarHBondContact O-CG1 3.28Å; T751-I755 PolarHBondContact O-N 3.2Å; T751-I755 VanDerWaalsContact O-N 3.08Å; V752-I755 PolarHBondContact O-N 3.19Å; S753-I755 VanDerWaalsContact C-N 3.3Å; S753-I755 PolarHBondContact O-N 3.48Å; I755-S757 VanDerWaalsContact C-N 3.33Å; I755-S757 PolarHBondContact O-N 3.3Å; I755-D758 PolarHBondContact O-N 3.04Å |
| 756 | L | 92.8 | Very high | 90.2 | Very high | 20 Ų | 20 | 79.6 Ų | 79.6 | 11% | 0.105 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.9 | -30.1 | -175.9 | -72.2 | 175 | 0 | 0 | 0 | 113.2 | I669 R673 F716 L718 V752 S753 D758 V759 | I669-L756 HydrophobicContact CG2-CD2 3.62Å; I669-L756 HydrophobicContact CG2-CG 4Å; R673-L756 HydrophobicContact CB-CD2 3.61Å; R673-L756 HydrophobicContact CG-CD2 3.79Å; F716-L756 HydrophobicContact CE1-CD1 3.9Å; F716-L756 HydrophobicContact CZ-CD1 3.71Å; L718-L756 HydrophobicContact CD1-CD1 3.73Å; V752-L756 HydrophobicContact CG1-CD1 3.67Å; V752-L756 HydrophobicContact CG1-CG 4.15Å; V752-L756 WeakPolarHBondContact O-CB 3.48Å; V752-L756 VanDerWaalsContact O-CG 3.26Å; V752-L756 WeakPolarHBondContact O-CG 3.36Å; V752-L756 PolarHBondContact O-N 3.48Å; S753-L756 PolarHBondContact O-N 3.04Å; L756-D758 PolarHBondContact O-N 3.46Å; L756-V759 HydrophobicContact CD2-CG2 4.3Å; L756-V759 WeakPolarHBondContact O-CB 3.26Å; L756-V759 PolarHBondContact O-N 2.91Å; L756-V759 VanDerWaalsContact O-N 3.08Å |
| 757 | S | 89.8 | Confident | 89.9 | Confident | 92 Ų | 92 | 79.6 Ų | 79.6 | 64% | 0.643 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25.8 | 175.5 | 59.2 | 0 | 0 | 0 | 0 | 113.3 | S753 R754 I755 | S753-S757 PolarHBondContact O-N 3.37Å; R754-S757 PolarHBondContact O-OG 2.91Å; I755-S757 VanDerWaalsContact C-N 3.33Å; I755-S757 PolarHBondContact O-N 3.3Å |
| 758 | D | 89.9 | Confident | 89.4 | Confident | 94 Ų | 94 | 85.8 Ų | 85.8 | 50% | 0.503 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -8.2 | 179 | -66.1 | -14.7 | 0 | 0 | 0 | 113.1 | K666 I755 L756 K760 | K666-D758 IonicContact NZ-OD2 2.66Å; K666-D758 PolarHBondContact NZ-OD2 3.31Å; I755-D758 PolarHBondContact O-N 3.04Å; L756-D758 PolarHBondContact O-N 3.46Å; D758-K760 PolarHBondContact O-N 3.07Å |
| 759 | V | 91.5 | Very high | 88.7 | Confident | 18 Ų | 18 | 91.5 Ų | 91.5 | 11% | 0.109 | 45% | 0.45 | C | S | . | . | trans | -78.7 | 108.1 | -174.8 | -176.3 | 0 | 0 | 0 | 0 | 110.4 | H670 R673 L756 I761 | H670-V759 HydrophobicContact CB-CG2 4.38Å; H670-V759 WeakPolarHBondContact CD2-CG2 3.3Å; R673-V759 HydrophobicContact CB-CG1 4.34Å; R673-V759 HydrophobicContact CG-CB 4.43Å; R673-V759 HydrophobicContact CG-CG1 3.99Å; L756-V759 HydrophobicContact CD2-CG2 4.3Å; L756-V759 WeakPolarHBondContact O-CB 3.26Å; L756-V759 PolarHBondContact O-N 2.91Å; L756-V759 VanDerWaalsContact O-N 3.08Å; V759-I761 HydrophobicContact CG1-CD1 3.79Å; V759-I761 PolarHBondContact O-N 3.03Å | ||
| 760 | K | 90.9 | Very high | 88 | Confident | 194 Ų | 194 | 92.3 Ų | 92.3 | 84% | 0.843 | 47% | 0.467 | S | S | * | . | trans | -71.3 | 114.6 | 169.8 | -65.3 | -175.4 | -179.6 | -179.1 | 0 | 110.2 | D758 P762 | D758-K760 PolarHBondContact O-N 3.07Å; K760-P762 WeakPolarHBondContact O-CD 3.18Å | ||
| 761 | I | 91.1 | Very high | 87.5 | Confident | 56 Ų | 56 | 88 Ų | 88 | 29% | 0.287 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -87.9 | 117.8 | 175.4 | -55.3 | -60.7 | 0 | 0 | 0 | 109.1 | R673 L674 E677 V759 | R673-I761 HydrophobicContact CG-CD1 3.8Å; L674-I761 HydrophobicContact CD2-CD1 4.33Å; E677-I761 HydrophobicContact CB-CG2 4.5Å; E677-I761 HydrophobicContact CG-CG2 3.65Å; V759-I761 HydrophobicContact CG1-CD1 3.79Å; V759-I761 PolarHBondContact O-N 3.03Å |
| 762 | P | 88.7 | Confident | 87 | Confident | 70 Ų | 70 | 90.6 Ų | 90.6 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 143 | 175.5 | -19 | 25 | 0 | 0 | 0 | 111.9 | R682 K760 | R682-P762 VanDerWaalsContact NH2-CB 3.31Å; R682-P762 PolarHBondContact NH2-O 2.95Å; K760-P762 WeakPolarHBondContact O-CD 3.18Å |
| 763 | E | 87.1 | Confident | 86.4 | Confident | 167 Ų | 167 | 93.3 Ų | 93.3 | 78% | 0.78 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 147.7 | 173.4 | -70.6 | -176.3 | 166.2 | 0 | 0 | 111.5 | ||
| 764 | Y | 89.3 | Confident | 85.5 | Confident | 67 Ų | 67 | 94.3 Ų | 94.3 | 26% | 0.263 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -77 | 134.5 | 174.3 | 170.3 | -109.4 | 0 | 0 | 0 | 110.3 | R682 L685 Q686 P766 | R682-Y764 HydrophobicContact CB-CD2 4.13Å; R682-Y764 HydrophobicContact CG-CD2 4.17Å; L685-Y764 HydrophobicContact CB-CD1 4.02Å; L685-Y764 HydrophobicContact CB-CE1 3.74Å; L685-Y764 HydrophobicContact CB-CE2 4.35Å; L685-Y764 HydrophobicContact CB-CG 4.43Å; L685-Y764 HydrophobicContact CD1-CD1 3.85Å; L685-Y764 HydrophobicContact CD1-CE1 4.43Å; L685-Y764 HydrophobicContact CD1-CG 4Å; Q686-Y764 WeakPolarHBondContact CA-OH 3.32Å; Q686-Y764 HydrophobicContact CB-CE2 4.24Å; Q686-Y764 PolarHBondContact N-OH 3.36Å; Q686-Y764 PolarHBondContact OE1-OH 3.33Å; Y764-P766 HydrophobicContact CE1-CG 4.06Å; Y764-P766 WeakPolarHBondContact OH-CA 3.49Å |
| 765 | R | 87.4 | Confident | 84.5 | Confident | 202 Ų | 202 | 92 Ų | 92 | 76% | 0.762 | 47% | 0.468 | S | S | * | . | trans | -128.8 | 131.3 | 169.9 | -65.6 | -174.1 | -179.2 | -171.8 | -0.6 | 108.9 | ||||
| 766 | P | 85.6 | Confident | 83.6 | Confident | 72 Ų | 72 | 96.7 Ų | 96.7 | 47% | 0.468 | 50% | 0.498 | S | S | . | . | trans | -61 | 147.6 | 178.4 | -21 | 31.6 | 0 | 0 | 0 | 112.8 | H689 Y764 | H689-P766 WeakPolarHBondContact NE2-CB 3.37Å; Y764-P766 HydrophobicContact CE1-CG 4.06Å; Y764-P766 WeakPolarHBondContact OH-CA 3.49Å | ||
| 767 | S | 84.5 | Confident | 82.7 | Confident | 47 Ų | 47 | 96.7 Ų | 96.7 | 33% | 0.329 | 50% | 0.501 | S | S | . | . | trans | -117.8 | 139.6 | 174.1 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | Q686 K769 | Q686-S767 PolarHBondContact NE2-O 2.95Å; S767-K769 PolarHBondContact O-N 2.96Å; S767-K769 WeakPolarHBondContact OG-CG 3.45Å; S767-K769 PolarHBondContact OG-N 3.35Å | ||
| 768 | E | 78.9 | Confident | 81.8 | Confident | 176 Ų | 176 | 103.3 Ų | 103.3 | 82% | 0.822 | 51% | 0.512 | S | S | * | . | trans | -81.5 | 13.3 | 175.8 | -63 | -61.6 | 155 | 0 | 0 | 113.6 | S770 | E768-S770 PolarHBondContact O-N 3.45Š| ||
| 769 | K | 76.1 | Confident | 80.7 | Confident | 164 Ų | 164 | 105.3 Ų | 105.3 | 71% | 0.713 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 132.4 | 179.6 | -74.3 | -177.3 | -179.6 | -169.9 | 0 | 110.6 | S767 | S767-K769 PolarHBondContact O-N 2.96Å; S767-K769 WeakPolarHBondContact OG-CG 3.45Å; S767-K769 PolarHBondContact OG-N 3.35Å |
| 770 | S | 74.8 | Confident | 79.4 | Confident | 123 Ų | 123 | 108.3 Ų | 108.3 | 86% | 0.86 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 135.8 | 176 | 57 | 0 | 0 | 0 | 0 | 111.4 | E768 | E768-S770 PolarHBondContact O-N 3.45Š|
| 771 | I | 80.1 | Confident | 77.7 | Confident | 36 Ų | 36 | 103 Ų | 103 | 19% | 0.185 | 52% | 0.517 | C | S | . | . | P | Polyproline II helix | trans | -99.2 | 124.4 | 174.3 | -59.6 | -176.7 | 0 | 0 | 0 | 107.5 | L687 S690 F691 T773 | L687-I771 HydrophobicContact CD1-CD1 3.62Å; L687-I771 HydrophobicContact CD1-CG2 4.13Å; S690-I771 WeakPolarHBondContact OG-CD1 3.4Å; F691-I771 HydrophobicContact CE2-CB 3.96Å; F691-I771 HydrophobicContact CE2-CD1 4.21Å; F691-I771 HydrophobicContact CE2-CG2 4.12Å; F691-I771 HydrophobicContact CZ-CB 4.42Å; I771-T773 PolarHBondContact O-N 3.45Å |
| 772 | E | 80 | Confident | 75.9 | Confident | 74 Ų | 74 | 103.7 Ų | 103.7 | 35% | 0.346 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 125.7 | 176.1 | -173.7 | 55.4 | -93.3 | 0 | 0 | 110.9 | D774 A777 | E772-D774 VanDerWaalsContact OE1-CB 3.26Å; E772-D774 WeakPolarHBondContact OE1-CB 3.22Å; E772-D774 PolarHBondContact OE1-N 3.03Å; E772-A777 HydrophobicContact CG-CB 3.58Å |
| 773 | T | 78.1 | Confident | 73.9 | Confident | 56 Ų | 56 | 103 Ų | 103 | 34% | 0.344 | 53% | 0.525 | S | S | . | . | trans | -120.9 | -7.9 | 179.5 | 57 | 0 | 0 | 0 | 0 | 112.9 | F599 F691 F703 I771 | F599-T773 HydrophobicContact CE2-CG2 3.97Å; F599-T773 HydrophobicContact CZ-CG2 3.98Å; F691-T773 HydrophobicContact CE1-CG2 4.29Å; F691-T773 HydrophobicContact CE2-CG2 4.12Å; F691-T773 HydrophobicContact CZ-CG2 3.54Å; F703-T773 HydrophobicContact CE2-CG2 4.47Å; F703-T773 HydrophobicContact CZ-CG2 4.44Å; I771-T773 PolarHBondContact O-N 3.45Å | ||
| 774 | D | 74.1 | Confident | 72.1 | Confident | 77 Ų | 77 | 102.3 Ų | 102.3 | 41% | 0.412 | 52% | 0.52 | S | S | . | . | trans | -75.5 | 124.8 | 175.9 | -173.7 | -9.6 | 0 | 0 | 0 | 110.5 | E772 T776 A777 | E772-D774 VanDerWaalsContact OE1-CB 3.26Å; E772-D774 WeakPolarHBondContact OE1-CB 3.22Å; E772-D774 PolarHBondContact OE1-N 3.03Å; D774-T776 VanDerWaalsContact C-N 3.26Å; D774-T776 PolarHBondContact O-N 3.19Å; D774-T776 WeakPolarHBondContact OD1-CB 3.35Å; D774-T776 PolarHBondContact OD1-N 2.85Å; D774-T776 PolarHBondContact OD1-OG1 2.94Å; D774-T776 PolarHBondContact OD2-OG1 2.99Å; D774-T776 VanDerWaalsContact OD2-OG1 3.11Å; D774-A777 HydrophobicContact CB-CB 4.14Å; D774-A777 WeakPolarHBondContact O-CB 3.27Å; D774-A777 PolarHBondContact O-N 3.47Å | ||
| 775 | E | 72.1 | Confident | 70.5 | Confident | 109 Ų | 109 | 105.5 Ų | 105.5 | 51% | 0.509 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -20.8 | 179 | -70.6 | 177.9 | -178.8 | 0 | 0 | 112.7 | P592 C594 | P592-E775 HydrophobicContact CB-CB 4.16Å; P592-E775 HydrophobicContact CB-CG 4.36Å; P592-E775 HydrophobicContact CG-CB 4.45Å; C594-E775 VanDerWaalsContact SG-CA 3.57Å; C594-E775 VanDerWaalsContact SG-CG 3.52Å |
| 776 | T | 73.8 | Confident | 68.8 | Low | 116 Ų | 116 | 101.8 Ų | 101.8 | 71% | 0.712 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -10.6 | 176.7 | 71.2 | 0 | 0 | 0 | 0 | 113.2 | D774 R778 | D774-T776 VanDerWaalsContact C-N 3.26Å; D774-T776 PolarHBondContact O-N 3.19Å; D774-T776 WeakPolarHBondContact OD1-CB 3.35Å; D774-T776 PolarHBondContact OD1-N 2.85Å; D774-T776 PolarHBondContact OD1-OG1 2.94Å; D774-T776 PolarHBondContact OD2-OG1 2.99Å; D774-T776 VanDerWaalsContact OD2-OG1 3.11Å; T776-R778 PolarHBondContact O-N 3.33Å |
| 777 | A | 73.4 | Confident | 67.6 | Low | 21 Ų | 21 | 101.6 Ų | 101.6 | 17% | 0.174 | 54% | 0.535 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 128.2 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | F593 E772 D774 | F593-A777 WeakPolarHBondContact CB-O 3.42Å; E772-A777 HydrophobicContact CG-CB 3.58Å; D774-A777 HydrophobicContact CB-CB 4.14Å; D774-A777 WeakPolarHBondContact O-CB 3.27Å; D774-A777 PolarHBondContact O-N 3.47Å |
| 778 | R | 70.2 | Confident | 66.8 | Low | 231 Ų | 231 | 101.7 Ų | 101.7 | 87% | 0.872 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -81.2 | 154.4 | 175.3 | -67 | -175.9 | 179.1 | -177.2 | -0.9 | 111.5 | T776 P780 | T776-R778 PolarHBondContact O-N 3.33Å; R778-P780 WeakPolarHBondContact O-CD 3.42Å |
| 779 | K | 67.1 | Low | 66.3 | Low | 135 Ų | 135 | 97.7 Ų | 97.7 | 59% | 0.587 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 121.4 | 173.4 | -176.4 | 171.1 | 179.1 | -178.8 | 0 | 109.7 | F593 D612 | F593-K779 HydrophobicContact CD2-CB 3.71Å; F593-K779 HydrophobicContact CD2-CD 4.33Å; F593-K779 HydrophobicContact CD2-CG 4.03Å; F593-K779 HydrophobicContact CE2-CB 3.68Å; F593-K779 HydrophobicContact CE2-CD 3.91Å; F593-K779 HydrophobicContact CE2-CG 3.49Å; F593-K779 VanDerWaalsContact CE2-CG 3.49Å; F593-K779 HydrophobicContact CG-CB 4.24Å; F593-K779 HydrophobicContact CZ-CB 4.17Å; F593-K779 HydrophobicContact CZ-CG 3.96Å; D612-K779 IonicContact OD2-NZ 3.15Å |
| 780 | P | 63.4 | Low | 66.2 | Low | 81 Ų | 81 | 97.2 Ų | 97.2 | 53% | 0.526 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 140.7 | 178.1 | 23.5 | -30.4 | 0 | 0 | 0 | 111.1 | R778 A782 | R778-P780 WeakPolarHBondContact O-CD 3.42Å; P780-A782 PolarHBondContact O-N 2.87Å |
| 781 | D | 56.5 | Low | 66.1 | Low | 84 Ų | 84 | 94.9 Ų | 94.9 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | trans | -74.6 | 110.8 | -179.6 | -159.9 | 0.3 | 0 | 0 | 0 | 109.9 | T783 K784 | D781-T783 PolarHBondContact O-N 2.9Å; D781-T783 PolarHBondContact OD1-OG1 3.32Å; D781-T783 VanDerWaalsContact OD1-OG1 3.06Å; D781-K784 HydrophobicContact CB-CB 4.32Å; D781-K784 HydrophobicContact CB-CD 4.24Å; D781-K784 HydrophobicContact CB-CG 4.34Å; D781-K784 PolarHBondContact O-N 2.9Å; D781-K784 VanDerWaalsContact O-N 3.09Å; D781-K784 WeakPolarHBondContact OD2-CD 3.49Å; D781-K784 WeakPolarHBondContact OD2-CE 3.48Å; D781-K784 IonicContact OD2-NZ 3.79Å; D781-K784 PolarHBondContact OD2-NZ 3.13Å | ||
| 782 | A | 52 | Low | 65.8 | Low | 69 Ų | 69 | 96.9 Ų | 96.9 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -20.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P780 | P780-A782 PolarHBondContact O-N 2.87Š|
| 783 | T | 48.3 | Very low | 65.8 | Low | 56 Ų | 56 | 102.5 Ų | 102.5 | 34% | 0.344 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -14.9 | 175.2 | 39.9 | 0 | 0 | 0 | 0 | 113.4 | D781 | D781-T783 PolarHBondContact O-N 2.9Å; D781-T783 PolarHBondContact OD1-OG1 3.32Å; D781-T783 VanDerWaalsContact OD1-OG1 3.06Å |
| 784 | K | 48.6 | Very low | 66.1 | Low | 153 Ų | 153 | 104.8 Ų | 104.8 | 67% | 0.665 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -109 | 7.2 | -176 | -63.8 | -178.1 | -177.8 | 162.8 | 0 | 114.4 | D781 | D781-K784 HydrophobicContact CB-CB 4.32Å; D781-K784 HydrophobicContact CB-CD 4.24Å; D781-K784 HydrophobicContact CB-CG 4.34Å; D781-K784 PolarHBondContact O-N 2.9Å; D781-K784 VanDerWaalsContact O-N 3.09Å; D781-K784 WeakPolarHBondContact OD2-CD 3.49Å; D781-K784 WeakPolarHBondContact OD2-CE 3.48Å; D781-K784 IonicContact OD2-NZ 3.79Å; D781-K784 PolarHBondContact OD2-NZ 3.13Å |
| 785 | M | 55.1 | Low | 66.5 | Low | 133 Ų | 133 | 101.2 Ų | 101.2 | 66% | 0.655 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -71.4 | 133.1 | 175.8 | -74.5 | -166 | 75 | 0 | 0 | 110.3 | L787 | M785-L787 PolarHBondContact O-N 2.89Š|
| 786 | P | 51.2 | Low | 67.1 | Low | 124 Ų | 124 | 97.4 Ų | 97.4 | 81% | 0.805 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 119.7 | 174.8 | 23.9 | -30.2 | 0 | 0 | 0 | 109.3 | ||
| 787 | L | 61.1 | Low | 67.8 | Low | 68 Ų | 68 | 95 Ų | 95 | 36% | 0.356 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 142.9 | 175.5 | -71.8 | 159.9 | 0 | 0 | 0 | 109.3 | F652 M785 E792 | F652-L787 HydrophobicContact CB-CD1 4.13Å; F652-L787 HydrophobicContact CB-CD2 4.1Å; F652-L787 HydrophobicContact CD1-CD2 3.81Å; F652-L787 HydrophobicContact CD2-CD2 4.15Å; F652-L787 HydrophobicContact CE1-CD2 4.25Å; F652-L787 HydrophobicContact CG-CD2 3.75Å; M785-L787 PolarHBondContact O-N 2.89Å; L787-E792 HydrophobicContact CB-CG 4.29Å |
| 788 | S | 67.4 | Low | 68.5 | Low | 49 Ų | 49 | 95.3 Ų | 95.3 | 34% | 0.343 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -77 | 151.9 | 169.4 | 83.6 | 0 | 0 | 0 | 0 | 110.2 | E790 E791 E792 | S788-E790 PolarHBondContact O-N 2.85Å; S788-E790 VanDerWaalsContact O-N 3.12Å; S788-E790 PolarHBondContact OG-N 3.3Å; S788-E791 PolarHBondContact N-OE2 3.37Å; S788-E791 PolarHBondContact O-N 3.13Å; S788-E791 VanDerWaalsContact O-N 3.1Å; S788-E791 WeakPolarHBondContact OG-CG 3.47Å; S788-E791 PolarHBondContact OG-N 3.21Å; S788-E791 VanDerWaalsContact OG-N 3.15Å; S788-E792 PolarHBondContact O-N 2.64Å |
| 789 | S | 69.1 | Low | 69.3 | Low | 92 Ų | 92 | 84.3 Ų | 84.3 | 64% | 0.643 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.1 | -19.2 | 174.5 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | R793 | S789-R793 WeakPolarHBondContact O-CG 3.35Å |
| 790 | E | 73.6 | Confident | 70.3 | Confident | 154 Ų | 154 | 81 Ų | 81 | 72% | 0.72 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -79.6 | -39.1 | 175.6 | -161.6 | 173 | -167.7 | 0 | 0 | 111.6 | S788 R793 E794 | S788-E790 PolarHBondContact O-N 2.85Å; S788-E790 VanDerWaalsContact O-N 3.12Å; S788-E790 PolarHBondContact OG-N 3.3Å; E790-R793 PolarHBondContact O-N 2.89Å; E790-E794 PolarHBondContact O-N 3.47Å |
| 791 | E | 72.4 | Confident | 71.4 | Confident | 74 Ų | 74 | 82.8 Ų | 82.8 | 35% | 0.346 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 176.1 | -75.4 | 178.8 | 144.6 | 0 | 0 | 112 | F652 S788 E794 A795 | F652-E791 HydrophobicContact CD2-CB 4.32Å; F652-E791 WeakPolarHBondContact CD2-O 3.48Å; F652-E791 HydrophobicContact CE2-CB 3.67Å; F652-E791 HydrophobicContact CE2-CG 4.31Å; F652-E791 VanDerWaalsContact CE2-O 3.25Å; F652-E791 WeakPolarHBondContact CE2-O 3.46Å; F652-E791 HydrophobicContact CZ-CB 4.07Å; F652-E791 HydrophobicContact CZ-CG 4.25Å; S788-E791 PolarHBondContact N-OE2 3.37Å; S788-E791 PolarHBondContact O-N 3.13Å; S788-E791 VanDerWaalsContact O-N 3.1Å; S788-E791 WeakPolarHBondContact OG-CG 3.47Å; S788-E791 PolarHBondContact OG-N 3.21Å; S788-E791 VanDerWaalsContact OG-N 3.15Å; E791-E794 PolarHBondContact O-N 2.48Å; E791-A795 PolarHBondContact O-N 3.49Å |
| 792 | E | 73.9 | Confident | 72.8 | Confident | 79 Ų | 79 | 79 Ų | 79 | 37% | 0.369 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 174.8 | -72.2 | -177.2 | 158.7 | 0 | 0 | 112 | L787 S788 E794 A795 I796 | L787-E792 HydrophobicContact CB-CG 4.29Å; S788-E792 PolarHBondContact O-N 2.64Å; E792-E794 VanDerWaalsContact C-N 3.34Å; E792-E794 PolarHBondContact O-N 3.27Å; E792-A795 PolarHBondContact O-N 3.43Å; E792-I796 WeakPolarHBondContact O-CG1 3.43Å; E792-I796 PolarHBondContact O-N 2.88Å; E792-I796 VanDerWaalsContact O-N 3.09Å |
| 793 | R | 80.9 | Confident | 74.3 | Confident | 192 Ų | 192 | 77.8 Ų | 77.8 | 73% | 0.725 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.5 | -43.1 | 175.1 | -75.6 | 179 | 178.7 | -176.5 | 0.2 | 111.8 | S789 E790 A795 I796 T797 | S789-R793 WeakPolarHBondContact O-CG 3.35Å; E790-R793 PolarHBondContact O-N 2.89Å; R793-A795 VanDerWaalsContact C-N 3.32Å; R793-A795 PolarHBondContact O-N 3.08Å; R793-I796 PolarHBondContact O-N 2.56Å; R793-T797 PolarHBondContact O-N 2.92Å; R793-T797 VanDerWaalsContact O-N 3.08Å; R793-T797 PolarHBondContact O-OG1 2.69Å |
| 794 | E | 83.6 | Confident | 76.1 | Confident | 104 Ų | 104 | 81.8 Ų | 81.8 | 49% | 0.486 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 178.8 | -162.1 | -175.5 | 161.4 | 0 | 0 | 111.8 | E790 E791 E792 T797 Q798 | E790-E794 PolarHBondContact O-N 3.47Å; E791-E794 PolarHBondContact O-N 2.48Å; E792-E794 VanDerWaalsContact C-N 3.34Å; E792-E794 PolarHBondContact O-N 3.27Å; E794-T797 PolarHBondContact O-N 3.03Å; E794-Q798 WeakPolarHBondContact O-CB 3.28Å; E794-Q798 VanDerWaalsContact O-CG 3.26Å; E794-Q798 WeakPolarHBondContact O-CG 3.24Å; E794-Q798 PolarHBondContact O-N 2.87Å; E794-Q798 PolarHBondContact OE1-NE2 2.91Å; E794-Q798 VanDerWaalsContact OE1-NE2 3.09Å |
| 795 | A | 83.6 | Confident | 77.5 | Confident | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.008 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.9 | -43 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | M642 F652 I655 E791 E792 R793 T797 Q798 L799 | M642-A795 HydrophobicContact CE-CB 4.31Å; F652-A795 HydrophobicContact CD2-CB 3.65Å; F652-A795 HydrophobicContact CE2-CB 4.24Å; I655-A795 HydrophobicContact CD1-CB 4.31Å; I655-A795 HydrophobicContact CG2-CB 4.34Å; I655-A795 VanDerWaalsContact CG2-O 3.28Å; I655-A795 WeakPolarHBondContact CG2-O 3.28Å; E791-A795 PolarHBondContact O-N 3.49Å; E792-A795 PolarHBondContact O-N 3.43Å; R793-A795 VanDerWaalsContact C-N 3.32Å; R793-A795 PolarHBondContact O-N 3.08Å; A795-T797 PolarHBondContact O-N 2.98Å; A795-Q798 PolarHBondContact O-N 3.22Å; A795-L799 PolarHBondContact O-N 2.8Å |
| 796 | I | 84.9 | Confident | 78.5 | Confident | 30 Ų | 30 | 77.5 Ų | 77.5 | 15% | 0.154 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -57.5 | -50.1 | 175.8 | -67.3 | 168.5 | 0 | 0 | 0 | 110.2 | L639 M642 Q643 E792 R793 Q798 L799 E800 | L639-I796 HydrophobicContact CD1-CG2 3.95Å; M642-I796 HydrophobicContact CB-CD1 4.3Å; M642-I796 HydrophobicContact CB-CG1 4.05Å; M642-I796 HydrophobicContact CE-CG1 4.2Å; Q643-I796 HydrophobicContact CG-CG2 4.04Å; E792-I796 WeakPolarHBondContact O-CG1 3.43Å; E792-I796 PolarHBondContact O-N 2.88Å; E792-I796 VanDerWaalsContact O-N 3.09Å; R793-I796 PolarHBondContact O-N 2.56Å; I796-Q798 VanDerWaalsContact C-N 3.31Å; I796-Q798 PolarHBondContact O-N 2.95Å; I796-L799 PolarHBondContact O-N 2.8Å; I796-L799 VanDerWaalsContact O-N 3.11Å; I796-E800 WeakPolarHBondContact O-CG 3.38Å; I796-E800 PolarHBondContact O-N 2.97Å |
| 797 | T | 87.4 | Confident | 79.5 | Confident | 65 Ų | 65 | 76.3 Ų | 76.3 | 40% | 0.399 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 178.1 | -55.5 | 0 | 0 | 0 | 0 | 112.5 | R793 E794 A795 L799 Q801 | R793-T797 PolarHBondContact O-N 2.92Å; R793-T797 VanDerWaalsContact O-N 3.08Å; R793-T797 PolarHBondContact O-OG1 2.69Å; E794-T797 PolarHBondContact O-N 3.03Å; A795-T797 PolarHBondContact O-N 2.98Å; T797-L799 VanDerWaalsContact C-N 3.32Å; T797-L799 PolarHBondContact O-N 2.87Å; T797-Q801 WeakPolarHBondContact O-CB 3.47Å; T797-Q801 VanDerWaalsContact O-CG 3.29Å; T797-Q801 WeakPolarHBondContact O-CG 3.27Å; T797-Q801 PolarHBondContact O-N 2.9Å |
| 798 | Q | 88.1 | Confident | 80.4 | Confident | 28 Ų | 28 | 74.9 Ų | 74.9 | 13% | 0.131 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.9 | -33.6 | 176.5 | -77.7 | 177.9 | 23.1 | 0 | 0 | 112.7 | I655 S659 E794 A795 I796 A802 | I655-Q798 HydrophobicContact CG2-CB 4Å; S659-Q798 PolarHBondContact OG-OE1 3.43Å; E794-Q798 WeakPolarHBondContact O-CB 3.28Å; E794-Q798 VanDerWaalsContact O-CG 3.26Å; E794-Q798 WeakPolarHBondContact O-CG 3.24Å; E794-Q798 PolarHBondContact O-N 2.87Å; E794-Q798 PolarHBondContact OE1-NE2 2.91Å; E794-Q798 VanDerWaalsContact OE1-NE2 3.09Å; A795-Q798 PolarHBondContact O-N 3.22Å; I796-Q798 VanDerWaalsContact C-N 3.31Å; I796-Q798 PolarHBondContact O-N 2.95Å; Q798-A802 WeakPolarHBondContact O-CB 3.46Å; Q798-A802 PolarHBondContact O-N 2.65Å; Q798-A802 VanDerWaalsContact O-N 3.08Å |
| 799 | L | 87 | Confident | 81 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -71.1 | -44.7 | 176.9 | -171.7 | 57.2 | 0 | 0 | 0 | 111.1 | W629 V635 V638 L639 I655 L658 A795 I796 T797 Q801 A802 I803 | W629-L799 HydrophobicContact CH2-CD1 4.43Å; V635-L799 HydrophobicContact CG1-CD1 3.67Å; V635-L799 HydrophobicContact CG1-CD2 4.36Å; V635-L799 HydrophobicContact CG1-CG 4.18Å; V638-L799 HydrophobicContact CG1-CD2 4.13Å; L639-L799 HydrophobicContact CB-CD2 3.99Å; L639-L799 HydrophobicContact CD1-CB 4.44Å; L639-L799 HydrophobicContact CD1-CD2 4.15Å; L639-L799 HydrophobicContact CD1-CG 4.44Å; I655-L799 HydrophobicContact CD1-CB 4.36Å; I655-L799 HydrophobicContact CD1-CD2 4.01Å; I655-L799 HydrophobicContact CG1-CB 4.44Å; I655-L799 HydrophobicContact CG1-CD1 4.23Å; I655-L799 HydrophobicContact CG1-CD2 4.31Å; I655-L799 HydrophobicContact CG2-CB 3.94Å; L658-L799 HydrophobicContact CD2-CD1 3.87Å; A795-L799 PolarHBondContact O-N 2.8Å; I796-L799 PolarHBondContact O-N 2.8Å; I796-L799 VanDerWaalsContact O-N 3.11Å; T797-L799 VanDerWaalsContact C-N 3.32Å; T797-L799 PolarHBondContact O-N 2.87Å; L799-Q801 PolarHBondContact O-N 3.33Å; L799-A802 PolarHBondContact O-N 2.93Å; L799-A802 VanDerWaalsContact O-N 3.13Å; L799-I803 HydrophobicContact CG-CD1 4.38Å; L799-I803 WeakPolarHBondContact O-CG1 3.43Å; L799-I803 PolarHBondContact O-N 3.18Å |
| 800 | E | 87.8 | Confident | 81.4 | Confident | 66 Ų | 66 | 75.9 Ų | 75.9 | 31% | 0.308 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -55.5 | -49.9 | 173.8 | -70.7 | 169.5 | 167.9 | 0 | 0 | 110.9 | L639 Q643 I796 A802 I803 D804 | L639-E800 HydrophobicContact CD1-CG 3.81Å; L639-E800 HydrophobicContact CD2-CG 3.93Å; Q643-E800 PolarHBondContact NE2-OE1 3.1Å; I796-E800 WeakPolarHBondContact O-CG 3.38Å; I796-E800 PolarHBondContact O-N 2.97Å; E800-A802 VanDerWaalsContact C-N 3.28Å; E800-A802 PolarHBondContact O-N 3.29Å; E800-I803 WeakPolarHBondContact O-CB 3.36Å; E800-I803 PolarHBondContact O-N 3.48Å; E800-I803 VanDerWaalsContact O-N 3.16Å; E800-D804 PolarHBondContact O-N 3.33Å |
| 801 | Q | 87.5 | Confident | 81.6 | Confident | 118 Ų | 118 | 75 Ų | 75 | 55% | 0.551 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.8 | -34 | 177 | -72.8 | 175.2 | 2.9 | 0 | 0 | 113.4 | T797 L799 A805 | T797-Q801 WeakPolarHBondContact O-CB 3.47Å; T797-Q801 VanDerWaalsContact O-CG 3.29Å; T797-Q801 WeakPolarHBondContact O-CG 3.27Å; T797-Q801 PolarHBondContact O-N 2.9Å; L799-Q801 PolarHBondContact O-N 3.33Å; Q801-A805 WeakPolarHBondContact O-CB 3.47Å; Q801-A805 PolarHBondContact O-N 3.17Å |
| 802 | A | 84.8 | Confident | 81.8 | Confident | 4 Ų | 4 | 71.8 Ų | 71.8 | 3% | 0.033 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.1 | -35.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | L658 Q798 L799 E800 N806 K807 V808 | L658-A802 HydrophobicContact CD2-CB 3.91Å; L658-A802 HydrophobicContact CG-CB 4.08Å; Q798-A802 WeakPolarHBondContact O-CB 3.46Å; Q798-A802 PolarHBondContact O-N 2.65Å; Q798-A802 VanDerWaalsContact O-N 3.08Å; L799-A802 PolarHBondContact O-N 2.93Å; L799-A802 VanDerWaalsContact O-N 3.13Å; E800-A802 VanDerWaalsContact C-N 3.28Å; E800-A802 PolarHBondContact O-N 3.29Å; A802-N806 PolarHBondContact O-N 3.44Å; A802-K807 PolarHBondContact O-N 3.34Å; A802-V808 HydrophobicContact CB-CG2 4.47Å |
| 803 | I | 85.2 | Confident | 82.4 | Confident | 44 Ų | 44 | 69.3 Ų | 69.3 | 23% | 0.226 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66 | -51.7 | 173.2 | -64.5 | 163.3 | 0 | 0 | 0 | 109.5 | V635 L639 L799 E800 A805 N806 V808 | V635-I803 HydrophobicContact CG1-CD1 4Å; V635-I803 HydrophobicContact CG1-CG1 4.06Å; L639-I803 HydrophobicContact CD2-CD1 3.85Å; L799-I803 HydrophobicContact CG-CD1 4.38Å; L799-I803 WeakPolarHBondContact O-CG1 3.43Å; L799-I803 PolarHBondContact O-N 3.18Å; E800-I803 WeakPolarHBondContact O-CB 3.36Å; E800-I803 PolarHBondContact O-N 3.48Å; E800-I803 VanDerWaalsContact O-N 3.16Å; I803-A805 VanDerWaalsContact C-N 3.28Å; I803-A805 PolarHBondContact O-N 3.4Å; I803-N806 WeakPolarHBondContact O-CA 3.36Å; I803-N806 PolarHBondContact O-N 2.91Å; I803-V808 HydrophobicContact CG1-CG2 4Å |
| 804 | D | 84.3 | Confident | 82.8 | Confident | 140 Ų | 140 | 65.9 Ų | 65.9 | 75% | 0.749 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61 | -36.3 | -179.5 | -70.6 | -19.2 | 0 | 0 | 0 | 112.7 | E800 N806 | E800-D804 PolarHBondContact O-N 3.33Å; D804-N806 PolarHBondContact O-N 3.12Å |
| 805 | A | 79.3 | Confident | 83.2 | Confident | 59 Ų | 59 | 61.2 Ų | 61.2 | 49% | 0.488 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 5.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q801 I803 K807 | Q801-A805 WeakPolarHBondContact O-CB 3.47Å; Q801-A805 PolarHBondContact O-N 3.17Å; I803-A805 VanDerWaalsContact C-N 3.28Å; I803-A805 PolarHBondContact O-N 3.4Å; A805-K807 HydrophobicContact CB-CD 4.36Å; A805-K807 HydrophobicContact CB-CG 4.06Å; A805-K807 PolarHBondContact O-N 3.22Å; A805-K807 VanDerWaalsContact O-N 3.16Å |
| 806 | N | 76.3 | Confident | 83.7 | Confident | 136 Ų | 136 | 68 Ų | 68 | 73% | 0.727 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 31.6 | -179.6 | -136.1 | 26.8 | 0 | 0 | 0 | 113.5 | A802 I803 D804 V808 | A802-N806 PolarHBondContact O-N 3.44Å; I803-N806 WeakPolarHBondContact O-CA 3.36Å; I803-N806 PolarHBondContact O-N 2.91Å; D804-N806 PolarHBondContact O-N 3.12Å; N806-V808 VanDerWaalsContact C-N 3.27Å |
| 807 | K | 71.8 | Confident | 84.2 | Confident | 100 Ų | 100 | 68.7 Ų | 68.7 | 44% | 0.435 | 36% | 0.36 | S | S | . | . | trans | -82.9 | -7 | 177.8 | -67.3 | -174.8 | 177.2 | -177 | 0 | 112.9 | A802 A805 T809 | A802-K807 PolarHBondContact O-N 3.34Å; A805-K807 HydrophobicContact CB-CD 4.36Å; A805-K807 HydrophobicContact CB-CG 4.06Å; A805-K807 PolarHBondContact O-N 3.22Å; A805-K807 VanDerWaalsContact O-N 3.16Å; K807-T809 PolarHBondContact O-N 3.35Å | ||
| 808 | V | 80 | Confident | 84.6 | Confident | 38 Ų | 38 | 66 Ų | 66 | 23% | 0.23 | 34% | 0.343 | C | S | . | . | trans | -92.6 | 86.7 | -179.7 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | V635 L658 A802 I803 N806 L813 | V635-V808 HydrophobicContact CB-CG1 4Å; V635-V808 HydrophobicContact CG1-CG1 4.32Å; V635-V808 HydrophobicContact CG1-CG2 4.39Å; V635-V808 HydrophobicContact CG2-CG1 3.37Å; L658-V808 HydrophobicContact CD2-CG2 4.28Å; A802-V808 HydrophobicContact CB-CG2 4.47Å; I803-V808 HydrophobicContact CG1-CG2 4Å; N806-V808 VanDerWaalsContact C-N 3.27Å; V808-L813 HydrophobicContact CG1-CD1 4.15Å; V808-L813 HydrophobicContact CG1-CD2 4.28Å; V808-L813 HydrophobicContact CG1-CG 4.39Å | ||
| 809 | T | 80.1 | Confident | 84.9 | Confident | 56 Ų | 56 | 72 Ų | 72 | 34% | 0.344 | 37% | 0.371 | S | S | . | . | trans | -115.4 | 159 | 170.4 | 67.9 | 0 | 0 | 0 | 0 | 109.9 | K807 E811 G812 L813 | K807-T809 PolarHBondContact O-N 3.35Å; T809-E811 PolarHBondContact O-N 3.07Å; T809-E811 PolarHBondContact OG1-OE2 2.56Å; T809-G812 CarbonylContact O-C 3.53Å; T809-G812 WeakPolarHBondContact O-CA 3.38Å; T809-G812 PolarHBondContact O-N 3.11Å; T809-G812 PolarHBondContact OG1-N 3.41Å; T809-L813 WeakPolarHBondContact O-CG 3.43Å; T809-L813 PolarHBondContact O-N 2.81Å | ||
| 810 | P | 78 | Confident | 85.2 | Confident | 105 Ų | 105 | 73.3 Ų | 73.3 | 68% | 0.682 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -41.8 | 174.6 | -27.4 | 36 | 0 | 0 | 0 | 112.8 | L813 | P810-L813 PolarHBondContact O-N 3.13Š|
| 811 | E | 75.8 | Confident | 85.3 | Confident | 137 Ų | 137 | 73.5 Ų | 73.5 | 64% | 0.64 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -33.3 | 176.5 | -54.5 | 75.1 | -160.2 | 0 | 0 | 111.9 | T809 L813 Q814 | T809-E811 PolarHBondContact O-N 3.07Å; T809-E811 PolarHBondContact OG1-OE2 2.56Å; E811-L813 VanDerWaalsContact C-N 3.33Å; E811-L813 PolarHBondContact O-N 3.08Å; E811-Q814 PolarHBondContact O-N 3.44Å; E811-Q814 VanDerWaalsContact O-O 3.11Å |
| 812 | G | 78.5 | Confident | 85.4 | Confident | 6 Ų | 6 | 70 Ų | 70 | 6% | 0.062 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -21.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y625 R661 T809 Q814 | Y625-G812 PolarHBondContact OH-O 2.98Å; R661-G812 PolarHBondContact NH1-O 3.14Å; T809-G812 CarbonylContact O-C 3.53Å; T809-G812 WeakPolarHBondContact O-CA 3.38Å; T809-G812 PolarHBondContact O-N 3.11Å; T809-G812 PolarHBondContact OG1-N 3.41Å; G812-Q814 VanDerWaalsContact C-N 3.28Å |
| 813 | L | 85.4 | Confident | 85.3 | Confident | 27 Ų | 27 | 71.3 Ų | 71.3 | 14% | 0.141 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 3.2 | 173.3 | -63 | -178.8 | 0 | 0 | 0 | 113.1 | Y625 W629 V635 V808 T809 P810 E811 | Y625-L813 WeakPolarHBondContact CE1-O 3.48Å; W629-L813 HydrophobicContact CB-CB 4.4Å; W629-L813 HydrophobicContact CD2-CD2 3.82Å; W629-L813 HydrophobicContact CE3-CD2 4.23Å; W629-L813 HydrophobicContact CG-CB 4.21Å; W629-L813 HydrophobicContact CG-CD2 4.23Å; W629-L813 HydrophobicContact CH2-CD2 4.4Å; W629-L813 HydrophobicContact CZ2-CD2 3.98Å; V635-L813 HydrophobicContact CG2-CD1 3.69Å; V635-L813 HydrophobicContact CG2-CD2 4.11Å; V808-L813 HydrophobicContact CG1-CD1 4.15Å; V808-L813 HydrophobicContact CG1-CD2 4.28Å; V808-L813 HydrophobicContact CG1-CG 4.39Å; T809-L813 WeakPolarHBondContact O-CG 3.43Å; T809-L813 PolarHBondContact O-N 2.81Å; P810-L813 PolarHBondContact O-N 3.13Å; E811-L813 VanDerWaalsContact C-N 3.33Å; E811-L813 PolarHBondContact O-N 3.08Å |
| 814 | Q | 88.8 | Confident | 85.3 | Confident | 119 Ų | 119 | 72.3 Ų | 72.3 | 56% | 0.556 | 37% | 0.373 | S | S | * | . | trans | -117.8 | 147.2 | 171.9 | -164.4 | 170.7 | 3.1 | 0 | 0 | 111.2 | R661 E811 G812 | R661-Q814 PolarHBondContact NH1-O 2.92Å; R661-Q814 PolarHBondContact NH2-O 2.91Å; E811-Q814 PolarHBondContact O-N 3.44Å; E811-Q814 VanDerWaalsContact O-O 3.11Å; G812-Q814 VanDerWaalsContact C-N 3.28Å | ||
| 815 | M | 92.9 | Very high | 85.4 | Confident | 7 Ų | 7 | 68.5 Ų | 68.5 | 3% | 0.034 | 35% | 0.353 | C | S | . | . | trans | -125.5 | 161.4 | 167.2 | -64.9 | -174.5 | -167.9 | 0 | 0 | 108.9 | P622 Y625 N626 L657 V737 Y738 P817 | P622-M815 HydrophobicContact CB-CB 3.88Å; P622-M815 HydrophobicContact CB-SD 4.29Å; P622-M815 HydrophobicContact CG-SD 4.25Å; Y625-M815 HydrophobicContact CD1-CB 4.36Å; Y625-M815 HydrophobicContact CD1-CE 3.63Å; Y625-M815 HydrophobicContact CD1-CG 3.62Å; Y625-M815 HydrophobicContact CD1-SD 3.93Å; Y625-M815 HydrophobicContact CD2-CE 3.44Å; Y625-M815 VanDerWaalsContact CD2-CE 3.44Å; Y625-M815 HydrophobicContact CD2-SD 4.45Å; Y625-M815 HydrophobicContact CE1-CE 3.7Å; Y625-M815 HydrophobicContact CE1-CG 3.87Å; Y625-M815 HydrophobicContact CE1-SD 4.42Å; Y625-M815 HydrophobicContact CE2-CE 3.54Å; Y625-M815 HydrophobicContact CG-CE 3.48Å; Y625-M815 VanDerWaalsContact CG-CE 3.48Å; Y625-M815 HydrophobicContact CG-CG 4.26Å; Y625-M815 HydrophobicContact CG-SD 3.94Å; N626-M815 PolarHBondContact ND2-O 3.4Å; N626-M815 PolarHBondContact OD1-N 2.97Å; N626-M815 PolarHBondContact OD1-O 3.17Å; L657-M815 HydrophobicContact CB-CE 4.03Å; V737-M815 HydrophobicContact CG1-CB 4.2Å; V737-M815 HydrophobicContact CG1-CG 4.49Å; V737-M815 HydrophobicContact CG1-SD 4.19Å; V737-M815 WeakPolarHBondContact O-CA 3.46Å; Y738-M815 HydrophobicContact CD1-CE 4.38Å; Y738-M815 HydrophobicContact CD1-CG 4.39Å; Y738-M815 HydrophobicContact CD1-SD 4.42Å; Y738-M815 HydrophobicContact CE1-CE 3.5Å; Y738-M815 VanDerWaalsContact CE1-CE 3.5Å; Y738-M815 HydrophobicContact CE1-CG 4.3Å; Y738-M815 HydrophobicContact CE1-SD 3.79Å; M815-P817 WeakPolarHBondContact O-CD 3.34Å | ||
| 816 | R | 94.4 | Very high | 85.7 | Confident | 144 Ų | 144 | 69.7 Ų | 69.7 | 54% | 0.543 | 36% | 0.358 | S | S | . | . | trans | -99.7 | 103.4 | 172 | -173.4 | 176.5 | 176 | -176.1 | -7.5 | 109.8 | E736 V737 L818 | E736-R816 IonicContact OE1-CZ 2.69Å; E736-R816 IonicContact OE1-NE 3.31Å; E736-R816 IonicContact OE1-NH1 2.68Å; E736-R816 IonicContact OE1-NH2 2.88Å; V737-R816 WeakPolarHBondContact CA-O 3.34Å; V737-R816 PolarHBondContact O-N 3.01Å; R816-L818 HydrophobicContact CG-CD2 4.23Å; R816-L818 PolarHBondContact O-N 3.13Å | ||
| 817 | P | 95.7 | Very high | 86.4 | Confident | 43 Ų | 43 | 64.1 Ų | 64.1 | 28% | 0.279 | 33% | 0.328 | S | S | . | . | trans | -65.9 | 129.9 | 173.3 | -15.4 | 30.7 | 0 | 0 | 0 | 109.7 | F618 F619 P622 M815 | F618-P817 WeakPolarHBondContact O-CA 3.27Å; F619-P817 HydrophobicContact CD2-CB 3.96Å; F619-P817 HydrophobicContact CE2-CB 4.31Å; P622-P817 HydrophobicContact CB-CB 4.01Å; P622-P817 HydrophobicContact CB-CG 3.93Å; M815-P817 WeakPolarHBondContact O-CD 3.34Å | ||
| 818 | L | 95.8 | Very high | 87.4 | Confident | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | trans | -95.7 | 115.2 | 177.7 | -52.5 | -175.9 | 0 | 0 | 0 | 109.4 | F614 F618 F619 L733 E736 V737 R816 | F614-L818 HydrophobicContact CZ-CB 4.41Å; F618-L818 HydrophobicContact CB-CB 4.16Å; F618-L818 HydrophobicContact CB-CD1 4.2Å; F618-L818 HydrophobicContact CB-CG 4.35Å; F618-L818 PolarHBondContact O-N 3.33Å; F619-L818 WeakPolarHBondContact CB-O 3.17Å; L733-L818 HydrophobicContact CB-CD1 4.25Å; L733-L818 HydrophobicContact CD2-CD1 3.75Å; E736-L818 HydrophobicContact CB-CD1 4.2Å; E736-L818 HydrophobicContact CB-CD2 4.31Å; E736-L818 HydrophobicContact CG-CD1 4.46Å; E736-L818 HydrophobicContact CG-CD2 3.77Å; E736-L818 WeakPolarHBondContact OE1-CD2 3.28Å; V737-L818 HydrophobicContact CG2-CD1 3.89Å; V737-L818 HydrophobicContact CG2-CG 3.79Å; R816-L818 HydrophobicContact CG-CD2 4.23Å; R816-L818 PolarHBondContact O-N 3.13Å | ||
| 819 | Q | 93.3 | Very high | 88.1 | Confident | 155 Ų | 155 | 58.1 Ų | 58.1 | 72% | 0.724 | 30% | 0.299 | S | S | * | . | trans | -77.8 | 135.4 | 170.9 | -170.8 | 166.6 | 6.1 | 0 | 0 | 109.1 | E821 H829 | Q819-E821 PolarHBondContact O-N 2.69Å; Q819-H829 PolarHBondContact O-CE1 2.83Å; Q819-H829 VanDerWaalsContact O-CE1 3.24Å | ||
| 820 | F | 94 | Very high | 88.8 | Confident | 28 Ų | 28 | 55.5 Ų | 55.5 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | trans | -66.4 | 110.4 | -179.1 | -178.7 | -101.9 | 0 | 0 | 0 | 110.6 | F614 K822 H829 I830 V833 A858 | F614-F820 HydrophobicContact CD1-CB 4.08Å; F614-F820 AromaticContact CD1-CD2 3.81Å; F614-F820 HydrophobicContact CD1-CD2 3.81Å; F614-F820 HydrophobicContact CD1-CG 4.39Å; F614-F820 HydrophobicContact CE1-CB 3.67Å; F614-F820 AromaticContact CE1-CD2 3.78Å; F614-F820 HydrophobicContact CE1-CD2 3.78Å; F614-F820 HydrophobicContact CE1-CG 4.23Å; F614-F820 HydrophobicContact CE2-CD2 4.46Å; F614-F820 HydrophobicContact CG-CD2 4.22Å; F614-F820 HydrophobicContact CZ-CB 4.47Å; F614-F820 HydrophobicContact CZ-CD2 4.11Å; F820-K822 HydrophobicContact CE1-CB 3.96Å; F820-K822 HydrophobicContact CZ-CB 4.44Å; F820-H829 HydrophobicContact CD2-CB 4.09Å; F820-H829 HydrophobicContact CE2-CB 4.04Å; F820-I830 HydrophobicContact CE1-CD1 4.49Å; F820-I830 HydrophobicContact CE2-CD1 4.15Å; F820-I830 HydrophobicContact CZ-CD1 3.58Å; F820-V833 HydrophobicContact CE2-CG2 3.9Å; F820-A858 HydrophobicContact CZ-CB 4.2Å | ||
| 821 | E | 90.3 | Very high | 89.7 | Confident | 69 Ų | 69 | 52.5 Ų | 52.5 | 32% | 0.322 | 26% | 0.261 | S | S | . | . | trans | -107.3 | 124.7 | 171.9 | -177.7 | 50.4 | -101.1 | 0 | 0 | 109.9 | Q819 D823 D824 H829 | Q819-E821 PolarHBondContact O-N 2.69Å; E821-D823 PolarHBondContact OE1-N 3.45Å; E821-D824 HydrophobicContact CG-CB 3.85Å; E821-H829 PolarHBondContact N-ND1 2.81Å; E821-H829 PolarHBondContact O-ND1 2.97Å | ||
| 822 | K | 89.1 | Confident | 90.7 | Very high | 45 Ų | 45 | 46.2 Ų | 46.2 | 20% | 0.196 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -97.6 | -27.5 | -174.5 | 70.2 | -153.6 | 173 | -47 | 0 | 112.4 | F820 I830 K855 I861 | F820-K822 HydrophobicContact CE1-CB 3.96Å; F820-K822 HydrophobicContact CZ-CB 4.44Å; K822-I830 HydrophobicContact CB-CD1 4.23Å; K822-K855 WeakPolarHBondContact O-CE 3Å; K822-K855 PolarHBondContact O-NZ 3.32Å; K822-I861 HydrophobicContact CD-CD1 4.45Å; K822-I861 HydrophobicContact CD-CG1 4.11Å |
| 823 | D | 82.9 | Confident | 91.7 | Very high | 32 Ų | 32 | 46 Ų | 46 | 17% | 0.171 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -96.6 | -1.8 | -170.9 | -66.2 | -54.9 | 0 | 0 | 0 | 112.8 | R15 E821 | R15-D823 IonicContact CZ-OD1 2.91Å; R15-D823 IonicContact CZ-OD2 3.41Å; R15-D823 IonicContact NH1-OD1 3.77Å; R15-D823 PolarHBondContact NH1-OD1 2.87Å; R15-D823 IonicContact NH1-OD2 3.55Å; R15-D823 IonicContact NH2-OD1 3.43Å; R15-D823 PolarHBondContact NH2-OD1 2.91Å; R15-D823 IonicContact NH2-OD2 2.75Å; R15-D823 PolarHBondContact NH2-OD2 2.9Å; E821-D823 PolarHBondContact OE1-N 3.45Å |
| 824 | D | 85.1 | Confident | 92.2 | Very high | 64 Ų | 64 | 45.4 Ų | 45.4 | 34% | 0.342 | 23% | 0.227 | S | C | . | . | trans | -102.7 | 111.1 | 166.7 | 167.9 | 22.7 | 0 | 0 | 0 | 110.4 | E821 S826 N827 | E821-D824 HydrophobicContact CG-CB 3.85Å; D824-S826 VanDerWaalsContact C-N 3.32Å; D824-S826 WeakPolarHBondContact OD1-CB 3.29Å; D824-S826 PolarHBondContact OD1-N 2.76Å; D824-S826 PolarHBondContact OD1-OG 3.29Å; D824-N827 WeakPolarHBondContact CB-ND2 3.44Å; D824-N827 VanDerWaalsContact CG-ND2 3.34Å; D824-N827 VanDerWaalsContact O-CG 3.24Å; D824-N827 PolarHBondContact O-ND2 3.42Å; D824-N827 PolarHBondContact O-OD1 2.68Å; D824-N827 VanDerWaalsContact O-OD1 3.08Å; D824-N827 WeakPolarHBondContact OD2-CB 3.47Å; D824-N827 PolarHBondContact OD2-ND2 2.85Å | ||
| 825 | D | 85.1 | Confident | 92.7 | Very high | 60 Ų | 60 | 39.9 Ų | 39.9 | 32% | 0.321 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -80.8 | -10.5 | -178.2 | -68.2 | -39.7 | 0 | 0 | 0 | 113.1 | R851 K855 | D825-R851 IonicContact OD1-CZ 3.96Å; D825-R851 VanDerWaalsContact OD1-CZ 3.25Å; D825-R851 IonicContact OD1-NH1 2.74Å; D825-R851 PolarHBondContact OD1-NH1 2.97Å; D825-R851 IonicContact OD1-NH2 3.5Å; D825-R851 PolarHBondContact OD1-NH2 2.81Å; D825-R851 IonicContact OD2-NH1 3.31Å; D825-K855 IonicContact OD1-NZ 3.54Å; D825-K855 PolarHBondContact OD1-NZ 3.07Å; D825-K855 IonicContact OD2-NZ 4Å |
| 826 | S | 86.8 | Confident | 92.9 | Very high | 85 Ų | 85 | 39.5 Ų | 39.5 | 59% | 0.594 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -84.4 | -26.5 | -176.1 | 74.6 | 0 | 0 | 0 | 0 | 114 | R732 D824 G828 | R732-S826 PolarHBondContact NH2-O 2.88Å; D824-S826 VanDerWaalsContact C-N 3.32Å; D824-S826 WeakPolarHBondContact OD1-CB 3.29Å; D824-S826 PolarHBondContact OD1-N 2.76Å; D824-S826 PolarHBondContact OD1-OG 3.29Å; S826-G828 VanDerWaalsContact C-N 3.27Å; S826-G828 PolarHBondContact O-N 2.92Å |
| 827 | N | 91 | Very high | 93.1 | Very high | 19 Ų | 19 | 32.7 Ų | 32.7 | 10% | 0.102 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -72.8 | -11.3 | -177.7 | 62.5 | 34.6 | 0 | 0 | 0 | 114.7 | D824 H829 | D824-N827 WeakPolarHBondContact CB-ND2 3.44Å; D824-N827 VanDerWaalsContact CG-ND2 3.34Å; D824-N827 VanDerWaalsContact O-CG 3.24Å; D824-N827 PolarHBondContact O-ND2 3.42Å; D824-N827 PolarHBondContact O-OD1 2.68Å; D824-N827 VanDerWaalsContact O-OD1 3.08Å; D824-N827 WeakPolarHBondContact OD2-CB 3.47Å; D824-N827 PolarHBondContact OD2-ND2 2.85Å; N827-H829 VanDerWaalsContact C-N 3.26Å; N827-H829 VanDerWaalsContact CG-CG 3.44Å; N827-H829 VanDerWaalsContact CG-ND1 3.34Å; N827-H829 PolarHBondContact ND2-ND1 2.82Å; N827-H829 PolarHBondContact O-N 3.15Å; N827-H829 VanDerWaalsContact OD1-CB 3.24Å; N827-H829 WeakPolarHBondContact OD1-CB 3.45Å; N827-H829 PolarHBondContact OD1-N 2.96Å; N827-H829 PolarHBondContact OD1-ND1 3.39Å |
| 828 | G | 91.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | trans | 71.3 | 10.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | S826 D831 F832 | S826-G828 VanDerWaalsContact C-N 3.27Å; S826-G828 PolarHBondContact O-N 2.92Å; G828-D831 PolarHBondContact O-N 3.08Å; G828-F832 PolarHBondContact O-N 2.91Å | ||
| 829 | H | 96 | Very high | 93.3 | Very high | 10 Ų | 10 | 30.4 Ų | 30.4 | 5% | 0.046 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.2 | -52.7 | 178.1 | -64.7 | 167.1 | 0 | 0 | 0 | 111.7 | F614 Q819 F820 E821 N827 D831 F832 V833 | F614-H829 HydrophobicContact CE2-CB 4.02Å; F614-H829 AromaticContact CE2-CD2 3.49Å; F614-H829 VanDerWaalsContact CE2-CD2 3.49Å; F614-H829 WeakPolarHBondContact CE2-CD2 3.21Å; F614-H829 AromaticContact CE2-CG 3.8Å; F614-H829 HydrophobicContact CZ-CB 4.29Å; F614-H829 AromaticContact CZ-CD2 3.49Å; F614-H829 VanDerWaalsContact CZ-CD2 3.49Å; F614-H829 WeakPolarHBondContact CZ-CD2 3.09Å; F614-H829 AromaticContact CZ-CG 3.73Å; F614-H829 AromaticContact CZ-NE2 3.76Å; Q819-H829 PolarHBondContact O-CE1 2.83Å; Q819-H829 VanDerWaalsContact O-CE1 3.24Å; F820-H829 HydrophobicContact CD2-CB 4.09Å; F820-H829 HydrophobicContact CE2-CB 4.04Å; E821-H829 PolarHBondContact N-ND1 2.81Å; E821-H829 PolarHBondContact O-ND1 2.97Å; N827-H829 VanDerWaalsContact C-N 3.26Å; N827-H829 VanDerWaalsContact CG-CG 3.44Å; N827-H829 VanDerWaalsContact CG-ND1 3.34Å; N827-H829 PolarHBondContact ND2-ND1 2.82Å; N827-H829 PolarHBondContact O-N 3.15Å; N827-H829 VanDerWaalsContact OD1-CB 3.24Å; N827-H829 WeakPolarHBondContact OD1-CB 3.45Å; N827-H829 PolarHBondContact OD1-N 2.96Å; N827-H829 PolarHBondContact OD1-ND1 3.39Å; H829-D831 VanDerWaalsContact C-N 3.29Å; H829-D831 PolarHBondContact O-N 3.09Å; H829-F832 PolarHBondContact O-N 2.93Å; H829-V833 WeakPolarHBondContact O-CG2 3.43Å; H829-V833 PolarHBondContact O-N 3.15Å; H829-V833 VanDerWaalsContact O-N 3.11Å |
| 830 | I | 95.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.4 | -34.8 | 178.9 | -64.4 | -57.1 | 0 | 0 | 0 | 111.1 | F820 K822 V833 T834 R851 K855 | F820-I830 HydrophobicContact CE1-CD1 4.49Å; F820-I830 HydrophobicContact CE2-CD1 4.15Å; F820-I830 HydrophobicContact CZ-CD1 3.58Å; K822-I830 HydrophobicContact CB-CD1 4.23Å; I830-V833 PolarHBondContact O-N 3.31Å; I830-T834 VanDerWaalsContact O-CB 3.26Å; I830-T834 WeakPolarHBondContact O-CB 3.47Å; I830-T834 PolarHBondContact O-N 2.74Å; I830-T834 PolarHBondContact O-OG1 2.72Å; I830-R851 HydrophobicContact CG2-CG 3.63Å; I830-K855 HydrophobicContact CD1-CB 4.2Å; I830-K855 HydrophobicContact CD1-CG 4.14Å; I830-K855 HydrophobicContact CG1-CB 4.47Å; I830-K855 HydrophobicContact CG1-CD 4.38Å; I830-K855 HydrophobicContact CG1-CG 4.28Å; I830-K855 HydrophobicContact CG2-CB 4.13Å |
| 831 | D | 95.8 | Very high | 93.7 | Very high | 42 Ų | 42 | 21.8 Ų | 21.8 | 23% | 0.225 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.6 | -40.3 | 179.7 | -53.9 | -26.3 | 0 | 0 | 0 | 111.2 | T725 G828 H829 S835 R851 | T725-D831 HydrophobicContact CG2-CB 4.28Å; G828-D831 PolarHBondContact O-N 3.08Å; H829-D831 VanDerWaalsContact C-N 3.29Å; H829-D831 PolarHBondContact O-N 3.09Å; D831-S835 WeakPolarHBondContact O-CB 3.28Å; D831-S835 PolarHBondContact O-N 2.94Å; D831-S835 PolarHBondContact O-OG 3.29Å; D831-R851 IonicContact OD1-CZ 3.4Å; D831-R851 IonicContact OD1-NE 3.85Å; D831-R851 PolarHBondContact OD1-NE 3.47Å; D831-R851 IonicContact OD1-NH2 3.12Å; D831-R851 PolarHBondContact OD1-NH2 3.35Å |
| 832 | F | 97.8 | Very high | 93.9 | Very high | 5 Ų | 5 | 23.4 Ų | 23.4 | 2% | 0.022 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.9 | -49.6 | 171.5 | 173.3 | -94.5 | 0 | 0 | 0 | 111.5 | K613 F614 F618 F726 S729 A730 L733 G828 H829 T834 S835 A836 | K613-F832 HydrophobicContact CB-CE1 4.46Å; K613-F832 HydrophobicContact CB-CZ 4.41Å; F614-F832 HydrophobicContact CB-CD1 3.95Å; F614-F832 HydrophobicContact CB-CE1 3.8Å; F614-F832 AromaticContact CD2-CD1 3.86Å; F614-F832 HydrophobicContact CD2-CD1 3.86Å; F614-F832 HydrophobicContact CD2-CE1 4.41Å; F614-F832 HydrophobicContact CG-CD1 4.41Å; F618-F832 HydrophobicContact CE2-CD1 4.2Å; F618-F832 HydrophobicContact CE2-CD2 4.31Å; F618-F832 AromaticContact CE2-CE1 3.95Å; F618-F832 HydrophobicContact CE2-CE1 3.95Å; F618-F832 HydrophobicContact CE2-CE2 4.05Å; F618-F832 HydrophobicContact CE2-CG 4.37Å; F618-F832 AromaticContact CE2-CZ 3.87Å; F618-F832 HydrophobicContact CE2-CZ 3.87Å; F618-F832 HydrophobicContact CZ-CD2 4.47Å; F618-F832 HydrophobicContact CZ-CE2 4.14Å; F618-F832 HydrophobicContact CZ-CZ 4.31Å; F726-F832 HydrophobicContact CD2-CE2 4.37Å; F726-F832 HydrophobicContact CE2-CD2 4.42Å; F726-F832 AromaticContact CE2-CE2 3.8Å; F726-F832 HydrophobicContact CE2-CE2 3.8Å; F726-F832 HydrophobicContact CE2-CZ 4.45Å; F726-F832 HydrophobicContact CZ-CE2 4.46Å; S729-F832 WeakPolarHBondContact OG-CA 3.5Å; A730-F832 HydrophobicContact CB-CD2 3.96Å; A730-F832 HydrophobicContact CB-CE2 3.94Å; L733-F832 HydrophobicContact CD1-CB 3.67Å; L733-F832 HydrophobicContact CD1-CD1 4.44Å; L733-F832 HydrophobicContact CD1-CD2 4.18Å; L733-F832 HydrophobicContact CD1-CG 3.83Å; G828-F832 PolarHBondContact O-N 2.91Å; H829-F832 PolarHBondContact O-N 2.93Å; F832-T834 PolarHBondContact O-N 3.48Å; F832-S835 PolarHBondContact O-OG 3.2Å; F832-A836 WeakPolarHBondContact O-CB 3.35Å; F832-A836 PolarHBondContact O-N 2.97Å |
| 833 | V | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.2 | -43.7 | -177.8 | 176.9 | 0 | 0 | 0 | 0 | 111 | I607 A610 F614 F820 H829 I830 S837 T854 A858 | I607-V833 HydrophobicContact CG2-CG1 4.26Å; A610-V833 HydrophobicContact CB-CG1 3.92Å; A610-V833 WeakPolarHBondContact CB-O 3.41Å; F614-V833 HydrophobicContact CB-CG2 4.38Å; F820-V833 HydrophobicContact CE2-CG2 3.9Å; H829-V833 WeakPolarHBondContact O-CG2 3.43Å; H829-V833 PolarHBondContact O-N 3.15Å; H829-V833 VanDerWaalsContact O-N 3.11Å; I830-V833 PolarHBondContact O-N 3.31Å; V833-S837 WeakPolarHBondContact O-CB 3.38Å; V833-S837 PolarHBondContact O-N 3.31Å; V833-T854 HydrophobicContact CB-CG2 4.42Å; V833-T854 HydrophobicContact CG1-CG2 3.78Å; V833-A858 HydrophobicContact CG1-CB 3.82Å |
| 834 | T | 97.6 | Very high | 94.8 | Very high | 16 Ų | 16 | 20.1 Ų | 20.1 | 10% | 0.098 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.9 | -51.2 | -179.7 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | I830 F832 S838 R851 T854 | I830-T834 VanDerWaalsContact O-CB 3.26Å; I830-T834 WeakPolarHBondContact O-CB 3.47Å; I830-T834 PolarHBondContact O-N 2.74Å; I830-T834 PolarHBondContact O-OG1 2.72Å; F832-T834 PolarHBondContact O-N 3.48Å; T834-S838 WeakPolarHBondContact O-CB 3.14Å; T834-S838 PolarHBondContact O-N 2.96Å; T834-S838 PolarHBondContact O-OG 3.38Å; T834-R851 HydrophobicContact CG2-CB 4.32Å; T834-T854 WeakPolarHBondContact OG1-CB 3.42Å; T834-T854 WeakPolarHBondContact OG1-CG2 3.38Å |
| 835 | S | 97.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.014 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.2 | -46 | 179.1 | 58.4 | 0 | 0 | 0 | 0 | 111.5 | F726 D831 F832 S837 S838 I839 | F726-S835 WeakPolarHBondContact CA-OG 3.46Å; D831-S835 WeakPolarHBondContact O-CB 3.28Å; D831-S835 PolarHBondContact O-N 2.94Å; D831-S835 PolarHBondContact O-OG 3.29Å; F832-S835 PolarHBondContact O-OG 3.2Å; S835-S837 PolarHBondContact O-N 3.05Å; S835-S838 PolarHBondContact O-N 3.11Å; S835-I839 WeakPolarHBondContact O-CD1 3.23Å; S835-I839 WeakPolarHBondContact O-CG1 3.47Å; S835-I839 PolarHBondContact O-N 3.08Å |
| 836 | A | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.4 | -41 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | W609 A610 F680 F726 F832 R840 | W609-A836 HydrophobicContact CZ3-CB 4.17Å; A610-A836 HydrophobicContact CB-CB 3.97Å; F680-A836 WeakPolarHBondContact CE1-O 3.45Å; F680-A836 HydrophobicContact CZ-CB 4.36Å; F726-A836 HydrophobicContact CD2-CB 3.9Å; F726-A836 HydrophobicContact CE2-CB 3.89Å; F832-A836 WeakPolarHBondContact O-CB 3.35Å; F832-A836 PolarHBondContact O-N 2.97Å; A836-R840 WeakPolarHBondContact O-CB 3.46Å; A836-R840 PolarHBondContact O-N 3.26Å |
| 837 | S | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.9 | -48.6 | 174.8 | 164.5 | 0 | 0 | 0 | 0 | 111.1 | T606 I607 V833 S835 I839 R840 A841 | T606-S837 PolarHBondContact OG1-O 2.88Å; T606-S837 PolarHBondContact OG1-OG 2.89Å; I607-S837 WeakPolarHBondContact CG1-OG 3.42Å; I607-S837 PolarHBondContact N-OG 3.1Å; V833-S837 WeakPolarHBondContact O-CB 3.38Å; V833-S837 PolarHBondContact O-N 3.31Å; S835-S837 PolarHBondContact O-N 3.05Å; S837-I839 PolarHBondContact O-N 3.36Å; S837-R840 CarbonylContact O-C 3.49Å; S837-R840 WeakPolarHBondContact O-CB 3.46Å; S837-R840 PolarHBondContact O-N 2.85Å; S837-R840 VanDerWaalsContact O-N 3.14Å; S837-A841 WeakPolarHBondContact O-CB 3.48Å; S837-A841 PolarHBondContact O-N 2.88Å |
| 838 | S | 97.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.8 | -40.8 | -176.7 | -64 | 0 | 0 | 0 | 0 | 112.7 | T834 S835 R840 A841 R842 | T834-S838 WeakPolarHBondContact O-CB 3.14Å; T834-S838 PolarHBondContact O-N 2.96Å; T834-S838 PolarHBondContact O-OG 3.38Å; S835-S838 PolarHBondContact O-N 3.11Å; S838-R840 VanDerWaalsContact C-N 3.34Å; S838-A841 WeakPolarHBondContact O-CB 3.47Å; S838-A841 PolarHBondContact O-N 3.07Å; S838-R842 WeakPolarHBondContact O-CG 3.42Å; S838-R842 PolarHBondContact O-N 2.86Å |
| 839 | I | 98.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.4 | -40.7 | 175.2 | -60.9 | 160.3 | 0 | 0 | 0 | 110.2 | F676 F680 I714 L722 F726 S835 S837 A841 R842 M843 | F676-I839 HydrophobicContact CD2-CD1 4.43Å; F676-I839 HydrophobicContact CE2-CD1 3.89Å; F676-I839 HydrophobicContact CE2-CG2 4.33Å; F676-I839 HydrophobicContact CZ-CG2 4.46Å; F680-I839 HydrophobicContact CB-CG2 3.93Å; F680-I839 HydrophobicContact CD1-CB 4.1Å; F680-I839 HydrophobicContact CD1-CG2 3.54Å; F680-I839 HydrophobicContact CD2-CB 4.45Å; F680-I839 HydrophobicContact CD2-CG2 3.69Å; F680-I839 HydrophobicContact CE1-CB 3.93Å; F680-I839 HydrophobicContact CE1-CG2 3.89Å; F680-I839 HydrophobicContact CE2-CB 4.29Å; F680-I839 HydrophobicContact CE2-CD1 4.14Å; F680-I839 HydrophobicContact CE2-CG2 4.03Å; F680-I839 HydrophobicContact CG-CB 4.37Å; F680-I839 HydrophobicContact CG-CG2 3.44Å; F680-I839 VanDerWaalsContact CG-CG2 3.44Å; F680-I839 HydrophobicContact CZ-CB 4.04Å; F680-I839 HydrophobicContact CZ-CD1 4.39Å; F680-I839 HydrophobicContact CZ-CG2 4.12Å; I714-I839 HydrophobicContact CG1-CG2 4.27Å; I714-I839 HydrophobicContact CG2-CG2 4.2Å; L722-I839 HydrophobicContact CB-CD1 4.46Å; L722-I839 HydrophobicContact CB-CG1 4.07Å; F726-I839 HydrophobicContact CB-CD1 3.75Å; F726-I839 HydrophobicContact CD2-CD1 4.49Å; F726-I839 HydrophobicContact CG-CD1 4.16Å; S835-I839 WeakPolarHBondContact O-CD1 3.23Å; S835-I839 WeakPolarHBondContact O-CG1 3.47Å; S835-I839 PolarHBondContact O-N 3.08Å; S837-I839 PolarHBondContact O-N 3.36Å; I839-A841 VanDerWaalsContact C-N 3.33Å; I839-R842 PolarHBondContact O-N 3.25Å; I839-M843 PolarHBondContact O-N 3.31Å |
| 840 | R | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66 | -35.9 | 174 | -172.9 | 170.2 | 179.8 | 82.9 | -4.5 | 112 | L596 K597 T606 W609 F680 A836 S837 S838 M843 Y844 | L596-R840 PolarHBondContact O-NH2 2.86Å; K597-R840 PolarHBondContact O-NH2 2.75Å; T606-R840 HydrophobicContact CG2-CB 4.41Å; T606-R840 HydrophobicContact CG2-CG 4.09Å; W609-R840 HydrophobicContact CE3-CB 4.36Å; W609-R840 HydrophobicContact CE3-CG 4.44Å; W609-R840 HydrophobicContact CZ3-CB 4.21Å; F680-R840 HydrophobicContact CD1-CB 4.45Å; F680-R840 HydrophobicContact CE1-CB 4.06Å; A836-R840 WeakPolarHBondContact O-CB 3.46Å; A836-R840 PolarHBondContact O-N 3.26Å; S837-R840 CarbonylContact O-C 3.49Å; S837-R840 WeakPolarHBondContact O-CB 3.46Å; S837-R840 PolarHBondContact O-N 2.85Å; S837-R840 VanDerWaalsContact O-N 3.14Å; S838-R840 VanDerWaalsContact C-N 3.34Å; R840-M843 HydrophobicContact CG-CE 4.31Å; R840-M843 VanDerWaalsContact O-CB 3.32Å; R840-M843 WeakPolarHBondContact O-CB 3.38Å; R840-M843 PolarHBondContact O-N 2.85Å; R840-Y844 HydrophobicContact CG-CD2 4.15Å; R840-Y844 HydrophobicContact CG-CE2 4.14Å; R840-Y844 WeakPolarHBondContact O-CD2 3.44Å; R840-Y844 PolarHBondContact O-N 3.2Å |
| 841 | A | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.2 | -49.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | I603 T606 S837 S838 I839 M843 Y844 S845 I846 P848 | I603-A841 HydrophobicContact CD1-CB 3.76Å; T606-A841 HydrophobicContact CG2-CB 4.34Å; S837-A841 WeakPolarHBondContact O-CB 3.48Å; S837-A841 PolarHBondContact O-N 2.88Å; S838-A841 WeakPolarHBondContact O-CB 3.47Å; S838-A841 PolarHBondContact O-N 3.07Å; I839-A841 VanDerWaalsContact C-N 3.33Å; A841-M843 VanDerWaalsContact C-N 3.28Å; A841-M843 PolarHBondContact O-N 2.79Å; A841-Y844 CarbonylContact O-C 3.53Å; A841-Y844 PolarHBondContact O-N 2.77Å; A841-S845 PolarHBondContact O-N 2.71Å; A841-I846 CarbonylContact C-O 3.53Å; A841-I846 HydrophobicContact CB-CB 3.96Å; A841-I846 HydrophobicContact CB-CG2 4.21Å; A841-I846 WeakPolarHBondContact CB-O 3.37Å; A841-I846 PolarHBondContact O-N 2.94Å; A841-P848 HydrophobicContact CB-CG 4.47Å |
| 842 | R | 96.3 | Very high | 94.8 | Very high | 104 Ų | 104 | 29.1 Ų | 29.1 | 39% | 0.392 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -55.7 | -40.9 | 172.1 | -69.9 | -179 | -178.8 | 178.5 | 0.6 | 112.6 | I714 D720 L722 S838 I839 Y844 S845 P848 | I714-R842 HydrophobicContact CD1-CB 4.48Å; D720-R842 IonicContact OD1-NH1 3.19Å; D720-R842 IonicContact OD2-CZ 3.97Å; D720-R842 IonicContact OD2-NH1 3.52Å; D720-R842 PolarHBondContact OD2-NH1 2.79Å; L722-R842 VanDerWaalsContact CD1-NH2 3.3Å; S838-R842 WeakPolarHBondContact O-CG 3.42Å; S838-R842 PolarHBondContact O-N 2.86Å; I839-R842 PolarHBondContact O-N 3.25Å; R842-Y844 PolarHBondContact O-N 3.08Å; R842-S845 PolarHBondContact O-N 3.2Å; R842-S845 VanDerWaalsContact O-N 3.11Å; R842-P848 HydrophobicContact CG-CG 4.06Å |
| 843 | M | 96.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58 | -29.5 | 176.6 | -167.2 | -176.6 | 75.6 | 0 | 0 | 112.4 | F680 A684 P711 T712 I714 I839 R840 A841 | F680-M843 VanDerWaalsContact O-SD 3.38Å; A684-M843 HydrophobicContact CB-CG 4.27Å; A684-M843 HydrophobicContact CB-SD 3.92Å; P711-M843 CarbonylContact C-O 3.41Å; P711-M843 WeakPolarHBondContact CA-O 3.44Å; P711-M843 HydrophobicContact CB-CE 4.41Å; P711-M843 HydrophobicContact CB-CG 4.24Å; T712-M843 PolarHBondContact N-O 2.8Å; T712-M843 VanDerWaalsContact O-CG 3.23Å; T712-M843 WeakPolarHBondContact O-CG 3.45Å; I714-M843 HydrophobicContact CD1-CB 4.36Å; I714-M843 HydrophobicContact CG1-CB 3.98Å; I714-M843 HydrophobicContact CG1-CG 4.23Å; I839-M843 PolarHBondContact O-N 3.31Å; R840-M843 HydrophobicContact CG-CE 4.31Å; R840-M843 VanDerWaalsContact O-CB 3.32Å; R840-M843 WeakPolarHBondContact O-CB 3.38Å; R840-M843 PolarHBondContact O-N 2.85Å; A841-M843 VanDerWaalsContact C-N 3.28Å; A841-M843 PolarHBondContact O-N 2.79Å |
| 844 | Y | 94.6 | Very high | 94.2 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 2% | 0.024 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 14.8 | 178.2 | -72 | -82.9 | 0 | 0 | 0 | 113.1 | S598 P600 L687 R709 P711 R840 A841 R842 I846 | S598-Y844 PolarHBondContact O-OH 2.98Å; P600-Y844 VanDerWaalsContact CD-CE2 3.47Å; P600-Y844 VanDerWaalsContact CD-CZ 3.45Å; P600-Y844 HydrophobicContact CG-CD1 4.13Å; P600-Y844 HydrophobicContact CG-CD2 3.23Å; P600-Y844 HydrophobicContact CG-CE1 4.2Å; P600-Y844 HydrophobicContact CG-CE2 3.28Å; P600-Y844 HydrophobicContact CG-CG 3.68Å; L687-Y844 HydrophobicContact CD2-CE1 4.44Å; R709-Y844 HydrophobicContact CB-CD1 4.44Å; R709-Y844 WeakPolarHBondContact CB-O 3.5Å; R709-Y844 WeakPolarHBondContact CD-O 3.42Å; R709-Y844 VanDerWaalsContact O-CD1 3.28Å; R709-Y844 WeakPolarHBondContact O-CD1 3.42Å; P711-Y844 HydrophobicContact CB-CD1 4.03Å; P711-Y844 HydrophobicContact CB-CE1 3.71Å; P711-Y844 HydrophobicContact CG-CE1 4.25Å; R840-Y844 HydrophobicContact CG-CD2 4.15Å; R840-Y844 HydrophobicContact CG-CE2 4.14Å; R840-Y844 WeakPolarHBondContact O-CD2 3.44Å; R840-Y844 PolarHBondContact O-N 3.2Å; A841-Y844 CarbonylContact O-C 3.53Å; A841-Y844 PolarHBondContact O-N 2.77Å; R842-Y844 PolarHBondContact O-N 3.08Å; Y844-I846 PolarHBondContact O-N 3.24Å |
| 845 | S | 90.8 | Very high | 94 | Very high | 77 Ų | 77 | 32 Ų | 32 | 54% | 0.538 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 35.9 | -174.8 | -53.3 | 0 | 0 | 0 | 0 | 113.6 | R709 A841 R842 | R709-S845 PolarHBondContact NH1-O 3.03Å; A841-S845 PolarHBondContact O-N 2.71Å; R842-S845 PolarHBondContact O-N 3.2Å; R842-S845 VanDerWaalsContact O-N 3.11Å |
| 846 | I | 91.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 35 Ų | 35 | 5% | 0.046 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -94.6 | 138.9 | 172.6 | -60.5 | 167.6 | 0 | 0 | 0 | 108 | P600 I603 T606 A841 Y844 P848 | P600-I846 HydrophobicContact CB-CD1 4.13Å; P600-I846 HydrophobicContact CG-CD1 4.38Å; I603-I846 HydrophobicContact CB-CG2 4.23Å; T606-I846 HydrophobicContact CG2-CD1 4.02Å; A841-I846 CarbonylContact C-O 3.53Å; A841-I846 HydrophobicContact CB-CB 3.96Å; A841-I846 HydrophobicContact CB-CG2 4.21Å; A841-I846 WeakPolarHBondContact CB-O 3.37Å; A841-I846 PolarHBondContact O-N 2.94Å; Y844-I846 PolarHBondContact O-N 3.24Å; I846-P848 VanDerWaalsContact O-CD 3.29Å; I846-P848 WeakPolarHBondContact O-CD 3.32Å |
| 847 | E | 90.1 | Very high | 93.3 | Very high | 122 Ų | 122 | 37 Ų | 37 | 57% | 0.57 | 18% | 0.181 | S | C | * | . | P | Polyproline II helix | trans | -62.8 | 119.2 | 176.7 | -166.3 | 170.7 | 167.8 | 0 | 0 | 110.2 | R217 | R217-E847 IonicContact NH1-OE2 3.71Å; R217-E847 PolarHBondContact NH1-OE2 3.37Å |
| 848 | P | 93.2 | Very high | 93.1 | Very high | 55 Ų | 55 | 37 Ų | 37 | 36% | 0.357 | 18% | 0.181 | S | C | . | . | P | Polyproline II helix | trans | -63.5 | 142.6 | 179.6 | -23.2 | 35 | 0 | 0 | 0 | 112.4 | A841 R842 I846 | A841-P848 HydrophobicContact CB-CG 4.47Å; R842-P848 HydrophobicContact CG-CG 4.06Å; I846-P848 VanDerWaalsContact O-CD 3.29Å; I846-P848 WeakPolarHBondContact O-CD 3.32Å |
| 849 | A | 92.4 | Very high | 92.7 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 8% | 0.083 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -83.9 | 149.6 | 169 | 0 | 0 | 0 | 0 | 0 | 111 | I603 I607 K853 | I603-A849 HydrophobicContact CD1-CB 4.12Å; I603-A849 HydrophobicContact CG1-CB 3.54Å; I607-A849 HydrophobicContact CD1-CB 4.28Å; A849-K853 HydrophobicContact CB-CB 4.05Å; A849-K853 HydrophobicContact CB-CD 4.02Å; A849-K853 HydrophobicContact CB-CG 3.97Å |
| 850 | D | 90.6 | Very high | 92.2 | Very high | 95 Ų | 95 | 43.2 Ų | 43.2 | 51% | 0.508 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -68.5 | 174 | 167.1 | 67.2 | 23.9 | 0 | 0 | 0 | 111.9 | L852 K853 T854 | D850-L852 VanDerWaalsContact C-N 3.28Å; D850-L852 PolarHBondContact O-N 3.42Å; D850-L852 PolarHBondContact OD1-N 2.88Å; D850-L852 VanDerWaalsContact OD1-N 3.11Å; D850-K853 VanDerWaalsContact OD1-CB 3.28Å; D850-K853 WeakPolarHBondContact OD1-CB 3.42Å; D850-K853 PolarHBondContact OD1-N 3.26Å; D850-T854 VanDerWaalsContact O-CB 3.32Å; D850-T854 WeakPolarHBondContact O-CB 3.47Å; D850-T854 PolarHBondContact O-N 2.95Å; D850-T854 PolarHBondContact O-OG1 3.43Å |
| 851 | R | 90.1 | Very high | 91.7 | Very high | 76 Ų | 76 | 43.7 Ų | 43.7 | 29% | 0.287 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.9 | -36.6 | 179.5 | -169.3 | -178.8 | -177.7 | -85.1 | -2.6 | 112.3 | D825 I830 D831 T834 K855 | D825-R851 IonicContact OD1-CZ 3.96Å; D825-R851 VanDerWaalsContact OD1-CZ 3.25Å; D825-R851 IonicContact OD1-NH1 2.74Å; D825-R851 PolarHBondContact OD1-NH1 2.97Å; D825-R851 IonicContact OD1-NH2 3.5Å; D825-R851 PolarHBondContact OD1-NH2 2.81Å; D825-R851 IonicContact OD2-NH1 3.31Å; I830-R851 HydrophobicContact CG2-CG 3.63Å; D831-R851 IonicContact OD1-CZ 3.4Å; D831-R851 IonicContact OD1-NE 3.85Å; D831-R851 PolarHBondContact OD1-NE 3.47Å; D831-R851 IonicContact OD1-NH2 3.12Å; D831-R851 PolarHBondContact OD1-NH2 3.35Å; T834-R851 HydrophobicContact CG2-CB 4.32Å; R851-K855 VanDerWaalsContact O-CB 3.3Å; R851-K855 WeakPolarHBondContact O-CB 3.28Å; R851-K855 PolarHBondContact O-N 3.11Å |
| 852 | L | 88 | Confident | 91.4 | Very high | 29 Ų | 29 | 47.6 Ų | 47.6 | 15% | 0.152 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.8 | -52.6 | -176.8 | -178.6 | 73.7 | 0 | 0 | 0 | 111 | R17 Y18 D850 T854 K855 R856 | R17-L852 HydrophobicContact CG-CD2 4.18Å; Y18-L852 HydrophobicContact CE1-CD1 3.79Å; Y18-L852 HydrophobicContact CE1-CD2 4.27Å; Y18-L852 HydrophobicContact CE1-CG 3.66Å; Y18-L852 PolarHBondContact OH-O 2.76Å; Y18-L852 VanDerWaalsContact OH-O 3.06Å; D850-L852 VanDerWaalsContact C-N 3.28Å; D850-L852 PolarHBondContact O-N 3.42Å; D850-L852 PolarHBondContact OD1-N 2.88Å; D850-L852 VanDerWaalsContact OD1-N 3.11Å; L852-T854 PolarHBondContact O-N 3.09Å; L852-K855 WeakPolarHBondContact O-CB 3.5Å; L852-K855 PolarHBondContact O-N 3.48Å; L852-K855 VanDerWaalsContact O-N 3.14Å; L852-R856 PolarHBondContact O-N 3.25Å |
| 853 | K | 89.6 | Confident | 91.2 | Very high | 73 Ų | 73 | 43.3 Ų | 43.3 | 32% | 0.317 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60 | -38 | 174.7 | -178.4 | 169.1 | -177.5 | 173.7 | 0 | 110.7 | A849 D850 R856 I857 | A849-K853 HydrophobicContact CB-CB 4.05Å; A849-K853 HydrophobicContact CB-CD 4.02Å; A849-K853 HydrophobicContact CB-CG 3.97Å; D850-K853 VanDerWaalsContact OD1-CB 3.28Å; D850-K853 WeakPolarHBondContact OD1-CB 3.42Å; D850-K853 PolarHBondContact OD1-N 3.26Å; K853-R856 WeakPolarHBondContact O-CB 3.49Å; K853-R856 PolarHBondContact O-N 2.75Å; K853-I857 HydrophobicContact CG-CD1 3.82Å; K853-I857 WeakPolarHBondContact O-CG1 3.36Å; K853-I857 PolarHBondContact O-N 3.49Å; K853-I857 VanDerWaalsContact O-N 3.1Å |
| 854 | T | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.6 | -48.6 | 172.6 | -58.9 | 0 | 0 | 0 | 0 | 112 | I607 V833 T834 D850 L852 R856 I857 A858 | I607-T854 HydrophobicContact CD1-CG2 4.49Å; I607-T854 HydrophobicContact CG1-CG2 4.29Å; I607-T854 HydrophobicContact CG2-CG2 4.18Å; V833-T854 HydrophobicContact CB-CG2 4.42Å; V833-T854 HydrophobicContact CG1-CG2 3.78Å; T834-T854 WeakPolarHBondContact OG1-CB 3.42Å; T834-T854 WeakPolarHBondContact OG1-CG2 3.38Å; D850-T854 VanDerWaalsContact O-CB 3.32Å; D850-T854 WeakPolarHBondContact O-CB 3.47Å; D850-T854 PolarHBondContact O-N 2.95Å; D850-T854 PolarHBondContact O-OG1 3.43Å; L852-T854 PolarHBondContact O-N 3.09Å; T854-R856 VanDerWaalsContact C-N 3.27Å; T854-R856 PolarHBondContact O-N 3.27Å; T854-I857 PolarHBondContact O-N 3.01Å; T854-A858 HydrophobicContact CG2-CB 4.42Å; T854-A858 WeakPolarHBondContact O-CB 3.41Å; T854-A858 PolarHBondContact O-N 3.13Å |
| 855 | K | 93.1 | Very high | 91.2 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 4% | 0.035 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57 | -41 | 177.2 | -179.5 | 166.1 | 172.2 | 157.3 | 0 | 111.2 | K822 D825 I830 R851 L852 G859 I861 | K822-K855 WeakPolarHBondContact O-CE 3Å; K822-K855 PolarHBondContact O-NZ 3.32Å; D825-K855 IonicContact OD1-NZ 3.54Å; D825-K855 PolarHBondContact OD1-NZ 3.07Å; D825-K855 IonicContact OD2-NZ 4Å; I830-K855 HydrophobicContact CD1-CB 4.2Å; I830-K855 HydrophobicContact CD1-CG 4.14Å; I830-K855 HydrophobicContact CG1-CB 4.47Å; I830-K855 HydrophobicContact CG1-CD 4.38Å; I830-K855 HydrophobicContact CG1-CG 4.28Å; I830-K855 HydrophobicContact CG2-CB 4.13Å; R851-K855 VanDerWaalsContact O-CB 3.3Å; R851-K855 WeakPolarHBondContact O-CB 3.28Å; R851-K855 PolarHBondContact O-N 3.11Å; L852-K855 WeakPolarHBondContact O-CB 3.5Å; L852-K855 PolarHBondContact O-N 3.48Å; L852-K855 VanDerWaalsContact O-N 3.14Å; K855-G859 VanDerWaalsContact O-CA 3.31Å; K855-G859 WeakPolarHBondContact O-CA 3.45Å; K855-G859 PolarHBondContact O-N 2.99Å; K855-I861 HydrophobicContact CG-CD1 3.79Å; K855-I861 WeakPolarHBondContact O-CD1 3.29Å |
| 856 | R | 90.8 | Very high | 91.6 | Very high | 65 Ų | 65 | 39.9 Ų | 39.9 | 25% | 0.245 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.1 | -58 | 174.9 | -168.7 | -175.9 | 166.3 | -172.7 | -6 | 112.8 | Y18 E181 L852 K853 T854 K860 I861 | Y18-R856 HydrophobicContact CD1-CB 4.03Å; Y18-R856 HydrophobicContact CD1-CG 3.96Å; Y18-R856 HydrophobicContact CD2-CG 4.36Å; Y18-R856 HydrophobicContact CE1-CB 3.45Å; Y18-R856 VanDerWaalsContact CE1-CB 3.45Å; Y18-R856 HydrophobicContact CE1-CG 3.88Å; Y18-R856 HydrophobicContact CE2-CB 4.29Å; Y18-R856 HydrophobicContact CE2-CG 4.35Å; Y18-R856 HydrophobicContact CG-CG 4.2Å; Y18-R856 PolarHBondContact OH-N 2.83Å; E181-R856 IonicContact OE1-CZ 3.58Å; E181-R856 IonicContact OE1-NH1 2.69Å; E181-R856 PolarHBondContact OE1-NH1 3.41Å; E181-R856 IonicContact OE2-NH1 3.25Å; L852-R856 PolarHBondContact O-N 3.25Å; K853-R856 WeakPolarHBondContact O-CB 3.49Å; K853-R856 PolarHBondContact O-N 2.75Å; T854-R856 VanDerWaalsContact C-N 3.27Å; T854-R856 PolarHBondContact O-N 3.27Å; R856-K860 PolarHBondContact O-N 2.81Å; R856-K860 VanDerWaalsContact O-N 3.12Å; R856-I861 HydrophobicContact CG-CB 4.41Å; R856-I861 PolarHBondContact O-N 3.1Å |
| 857 | I | 91 | Very high | 91.9 | Very high | 41 Ų | 41 | 39.5 Ų | 39.5 | 21% | 0.21 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.3 | -50 | -172.3 | -64.7 | 164 | 0 | 0 | 0 | 109.5 | E604 I607 K853 T854 G859 K860 | E604-I857 HydrophobicContact CG-CD1 4.14Å; E604-I857 HydrophobicContact CG-CG2 4.38Å; I607-I857 HydrophobicContact CB-CG2 4.08Å; I607-I857 HydrophobicContact CD1-CB 3.96Å; I607-I857 HydrophobicContact CD1-CD1 3.55Å; I607-I857 HydrophobicContact CD1-CG1 4.35Å; I607-I857 HydrophobicContact CD1-CG2 4.08Å; I607-I857 HydrophobicContact CG2-CB 4.09Å; I607-I857 HydrophobicContact CG2-CG2 3.78Å; K853-I857 HydrophobicContact CG-CD1 3.82Å; K853-I857 WeakPolarHBondContact O-CG1 3.36Å; K853-I857 PolarHBondContact O-N 3.49Å; K853-I857 VanDerWaalsContact O-N 3.1Å; T854-I857 PolarHBondContact O-N 3.01Å; I857-G859 VanDerWaalsContact C-N 3.34Å; I857-G859 PolarHBondContact O-N 3.39Å; I857-K860 PolarHBondContact O-N 3.44Å |
| 858 | A | 92.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | I607 R611 F820 V833 T854 K860 | I607-A858 HydrophobicContact CG2-CB 3.68Å; R611-A858 WeakPolarHBondContact CD-O 3.5Å; R611-A858 PolarHBondContact NH1-O 2.88Å; F820-A858 HydrophobicContact CZ-CB 4.2Å; V833-A858 HydrophobicContact CG1-CB 3.82Å; T854-A858 HydrophobicContact CG2-CB 4.42Å; T854-A858 WeakPolarHBondContact O-CB 3.41Å; T854-A858 PolarHBondContact O-N 3.13Å; A858-K860 PolarHBondContact O-N 3.36Å |
| 859 | G | 89.3 | Confident | 92.5 | Very high | 10 Ų | 10 | 31.1 Ų | 31.1 | 10% | 0.103 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -2.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | K855 I857 I861 | K855-G859 VanDerWaalsContact O-CA 3.31Å; K855-G859 WeakPolarHBondContact O-CA 3.45Å; K855-G859 PolarHBondContact O-N 2.99Å; I857-G859 VanDerWaalsContact C-N 3.34Å; I857-G859 PolarHBondContact O-N 3.39Å; G859-I861 PolarHBondContact O-N 2.86Å |
| 860 | K | 88.6 | Confident | 92.8 | Very high | 126 Ų | 126 | 30.6 Ų | 30.6 | 55% | 0.548 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 43.5 | -168.5 | -65.1 | -165.9 | 171.8 | -155.7 | 0 | 111.8 | E588 R856 I857 A858 I862 | E588-K860 IonicContact OE2-NZ 2.76Å; E588-K860 PolarHBondContact OE2-NZ 2.74Å; R856-K860 PolarHBondContact O-N 2.81Å; R856-K860 VanDerWaalsContact O-N 3.12Å; I857-K860 PolarHBondContact O-N 3.44Å; A858-K860 PolarHBondContact O-N 3.36Å; K860-I862 PolarHBondContact O-N 2.95Å |
| 861 | I | 88.1 | Confident | 93.2 | Very high | 10 Ų | 10 | 26.1 Ų | 26.1 | 5% | 0.051 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -74.5 | 120.7 | -174.3 | -66.8 | 168.9 | 0 | 0 | 0 | 109.6 | R15 Y18 K822 K855 R856 G859 P863 | R15-I861 VanDerWaalsContact NE-CG2 3.34Å; Y18-I861 HydrophobicContact CD2-CG2 3.79Å; Y18-I861 HydrophobicContact CE2-CB 4.21Å; Y18-I861 HydrophobicContact CE2-CD1 4.04Å; Y18-I861 HydrophobicContact CE2-CG2 3.62Å; K822-I861 HydrophobicContact CD-CD1 4.45Å; K822-I861 HydrophobicContact CD-CG1 4.11Å; K855-I861 HydrophobicContact CG-CD1 3.79Å; K855-I861 WeakPolarHBondContact O-CD1 3.29Å; R856-I861 HydrophobicContact CG-CB 4.41Å; R856-I861 PolarHBondContact O-N 3.1Å; G859-I861 PolarHBondContact O-N 2.86Å; I861-P863 WeakPolarHBondContact O-CD 3.27Å |
| 862 | I | 88.9 | Confident | 93.6 | Very high | 83 Ų | 83 | 22.5 Ų | 22.5 | 43% | 0.426 | 11% | 0.109 | S | C | . | . | P | Polyproline II helix | trans | -78.9 | 119.7 | 171.7 | -56 | 175.9 | 0 | 0 | 0 | 108.5 | M563 K860 | M563-I862 HydrophobicContact CG-CG2 4.29Å; K860-I862 PolarHBondContact O-N 2.95Å |
| 863 | P | 92.1 | Very high | 94.1 | Very high | 14 Ų | 14 | 21.1 Ų | 21.1 | 9% | 0.091 | 10% | 0.101 | C | C | . | . | P | Polyproline II helix | trans | -59.1 | 140.5 | 172 | -21.7 | 33.9 | 0 | 0 | 0 | 110.3 | V19 G564 I861 | V19-P863 HydrophobicContact CG2-CB 3.63Å; G564-P863 PolarHBondContact N-O 3.19Å; I861-P863 WeakPolarHBondContact O-CD 3.27Å |
| 864 | A | 94.7 | Very high | 94.5 | Very high | 9 Ų | 9 | 17.6 Ų | 17.6 | 7% | 0.074 | 9% | 0.086 | C | C | . | . | B | Isolated β-bridge | trans | -154.2 | 148.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R15 Q16 | R15-A864 CarbonylContact C-O 3.56Å; R15-A864 HydrophobicContact CB-CB 4.32Å; R15-A864 PolarHBondContact O-N 2.89Å; Q16-A864 WeakPolarHBondContact CA-O 3.49Å; Q16-A864 PolarHBondContact N-O 3.42Å |
| 865 | I | 96.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | trans | -143.4 | 149.7 | 178.4 | -168.9 | 167.1 | 0 | 0 | 0 | 110.3 | Q16 V19 L20 L372 G564 T867 A868 T869 | Q16-I865 HydrophobicContact CG-CD1 4.07Å; Q16-I865 HydrophobicContact CG-CG1 4.22Å; V19-I865 HydrophobicContact CG1-CG2 4.48Å; L20-I865 HydrophobicContact CD1-CD1 4.23Å; L20-I865 HydrophobicContact CD2-CD1 4.44Å; L20-I865 HydrophobicContact CG-CD1 4.41Å; L372-I865 HydrophobicContact CD1-CD1 3.67Å; G564-I865 WeakPolarHBondContact O-CG2 3.05Å; I865-T867 VanDerWaalsContact C-N 3.28Å; I865-T867 VanDerWaalsContact CG2-OG1 3.25Å; I865-T867 WeakPolarHBondContact CG2-OG1 3.26Å; I865-T867 PolarHBondContact O-N 2.95Å; I865-A868 HydrophobicContact CG2-CB 4.15Å; I865-T869 PolarHBondContact O-N 3.32Å; I865-T869 PolarHBondContact O-OG1 3.18Å | ||
| 866 | A | 98 | Very high | 95 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 2% | 0.017 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.7 | -33.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L51 R477 T869 A870 | L51-A866 HydrophobicContact CB-CB 4.46Å; L51-A866 HydrophobicContact CD1-CB 4.04Å; R477-A866 HydrophobicContact CB-CB 4.24Å; A866-T869 WeakPolarHBondContact O-CB 3.48Å; A866-T869 PolarHBondContact O-N 3.34Å; A866-A870 WeakPolarHBondContact O-CB 3.45Å; A866-A870 PolarHBondContact O-N 2.85Å |
| 867 | T | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58.7 | -55.3 | -178.7 | 52.3 | 0 | 0 | 0 | 0 | 112.7 | N48 G365 Q369 L372 I865 T869 A870 A871 | N48-T867 HydrophobicContact CB-CG2 4.25Å; G365-T867 WeakPolarHBondContact CA-O 3.35Å; G365-T867 WeakPolarHBondContact O-CB 3.4Å; Q369-T867 HydrophobicContact CB-CG2 4.28Å; Q369-T867 PolarHBondContact OE1-OG1 2.92Å; L372-T867 HydrophobicContact CD1-CG2 4.2Å; I865-T867 VanDerWaalsContact C-N 3.28Å; I865-T867 VanDerWaalsContact CG2-OG1 3.25Å; I865-T867 WeakPolarHBondContact CG2-OG1 3.26Å; I865-T867 PolarHBondContact O-N 2.95Å; T867-T869 VanDerWaalsContact C-N 3.27Å; T867-T869 PolarHBondContact O-N 3Å; T867-A870 PolarHBondContact O-N 3.37Å; T867-A871 WeakPolarHBondContact O-CB 3.25Å; T867-A871 PolarHBondContact O-N 3.37Å |
| 868 | A | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63.9 | -34.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | T562 G564 I865 A871 V872 F897 L899 | T562-A868 HydrophobicContact CG2-CB 4.42Å; G564-A868 WeakPolarHBondContact O-CB 3.36Å; I865-A868 HydrophobicContact CG2-CB 4.15Å; A868-A871 PolarHBondContact O-N 3.15Å; A868-V872 WeakPolarHBondContact O-CG2 3.42Å; A868-V872 PolarHBondContact O-N 2.99Å; A868-F897 HydrophobicContact CB-CE2 4.04Å; A868-F897 HydrophobicContact CB-CZ 4.32Å; A868-L899 HydrophobicContact CB-CD1 4.37Å |
| 869 | T | 98.3 | Very high | 96 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.006 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.9 | -48.4 | 178.2 | -52 | 0 | 0 | 0 | 0 | 111.5 | A439 I440 E443 I865 A866 T867 A871 V872 A873 | A439-T869 HydrophobicContact CB-CG2 3.64Å; A439-T869 WeakPolarHBondContact O-CG2 3.47Å; I440-T869 HydrophobicContact CB-CG2 4.49Å; I440-T869 HydrophobicContact CG1-CG2 3.97Å; E443-T869 HydrophobicContact CG-CG2 3.87Å; I865-T869 PolarHBondContact O-N 3.32Å; I865-T869 PolarHBondContact O-OG1 3.18Å; A866-T869 WeakPolarHBondContact O-CB 3.48Å; A866-T869 PolarHBondContact O-N 3.34Å; T867-T869 VanDerWaalsContact C-N 3.27Å; T867-T869 PolarHBondContact O-N 3Å; T869-A871 VanDerWaalsContact C-N 3.34Å; T869-V872 PolarHBondContact O-N 2.87Å; T869-A873 WeakPolarHBondContact O-CB 3.26Å; T869-A873 PolarHBondContact O-N 2.98Å |
| 870 | A | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.4 | -41.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A866 T867 A873 G874 | A866-A870 WeakPolarHBondContact O-CB 3.45Å; A866-A870 PolarHBondContact O-N 2.85Å; T867-A870 PolarHBondContact O-N 3.37Å; A870-A873 PolarHBondContact O-N 3.38Å; A870-G874 PolarHBondContact O-N 3.19Å |
| 871 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -56.9 | -53.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I366 T867 A868 T869 L875 F897 | I366-A871 HydrophobicContact CG1-CB 4.28Å; T867-A871 WeakPolarHBondContact O-CB 3.25Å; T867-A871 PolarHBondContact O-N 3.37Å; A868-A871 PolarHBondContact O-N 3.15Å; T869-A871 VanDerWaalsContact C-N 3.34Å; A871-L875 VanDerWaalsContact O-CG 3.32Å; A871-L875 WeakPolarHBondContact O-CG 3.47Å; A871-L875 PolarHBondContact O-N 3.35Å; A871-L875 VanDerWaalsContact O-N 3.17Å; A871-F897 HydrophobicContact CB-CE1 3.98Å; A871-F897 HydrophobicContact CB-CE2 4.45Å; A871-F897 HydrophobicContact CB-CZ 3.65Å |
| 872 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -59.8 | -50.6 | 177.6 | 163.2 | 0 | 0 | 0 | 0 | 111.9 | I440 S560 T562 T569 A868 T869 G874 L875 V876 F897 | I440-V872 HydrophobicContact CD1-CG1 4.45Å; S560-V872 WeakPolarHBondContact OG-CG1 3.44Å; T562-V872 HydrophobicContact CG2-CB 4.23Å; T562-V872 HydrophobicContact CG2-CG2 3.73Å; T569-V872 HydrophobicContact CG2-CG1 4.23Å; A868-V872 WeakPolarHBondContact O-CG2 3.42Å; A868-V872 PolarHBondContact O-N 2.99Å; T869-V872 PolarHBondContact O-N 2.87Å; V872-G874 VanDerWaalsContact C-N 3.31Å; V872-G874 PolarHBondContact O-N 3.07Å; V872-L875 PolarHBondContact O-N 3.43Å; V872-V876 HydrophobicContact CG1-CG2 4.32Å; V872-V876 WeakPolarHBondContact O-CG2 3.15Å; V872-V876 PolarHBondContact O-N 3.25Å; V872-F897 HydrophobicContact CG2-CE1 3.5Å; V872-F897 HydrophobicContact CG2-CZ 3.52Å |
| 873 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -64.4 | -36.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E443 M444 N447 T869 A870 S877 | E443-A873 HydrophobicContact CB-CB 3.32Å; E443-A873 HydrophobicContact CG-CB 4.28Å; M444-A873 HydrophobicContact CG-CB 4.34Å; M444-A873 HydrophobicContact SD-CB 3.87Å; N447-A873 PolarHBondContact ND2-O 2.83Å; N447-A873 VanDerWaalsContact ND2-O 3.14Å; T869-A873 WeakPolarHBondContact O-CB 3.26Å; T869-A873 PolarHBondContact O-N 2.98Å; A870-A873 PolarHBondContact O-N 3.38Å; A873-S877 VanDerWaalsContact O-CB 3.3Å; A873-S877 WeakPolarHBondContact O-CB 3.22Å; A873-S877 PolarHBondContact O-N 3.35Å; A873-S877 PolarHBondContact O-OG 2.75Å |
| 874 | G | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -60.4 | -48.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P358 A870 V872 S877 L878 | P358-G874 WeakPolarHBondContact CB-O 3.29Å; P358-G874 CarbonylContact O-C 3.59Å; P358-G874 WeakPolarHBondContact O-CA 2.97Å; A870-G874 PolarHBondContact O-N 3.19Å; V872-G874 VanDerWaalsContact C-N 3.31Å; V872-G874 PolarHBondContact O-N 3.07Å; G874-S877 PolarHBondContact O-N 3.41Å; G874-L878 WeakPolarHBondContact O-CG 3.28Å; G874-L878 PolarHBondContact O-N 3.46Å |
| 875 | L | 98.6 | Very high | 97.9 | Very high | 18 Ų | 18 | 6.2 Ų | 6.2 | 9% | 0.094 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -61.7 | -46.2 | 177.8 | -69.2 | 165.5 | 0 | 0 | 0 | 112.3 | A362 L388 T569 A871 V872 S877 L878 E879 C895 F897 | A362-L875 HydrophobicContact CB-CD2 4.31Å; A362-L875 HydrophobicContact CB-CG 4.09Å; L388-L875 HydrophobicContact CD2-CD2 4.42Å; T569-L875 HydrophobicContact CG2-CB 3.87Å; A871-L875 VanDerWaalsContact O-CG 3.32Å; A871-L875 WeakPolarHBondContact O-CG 3.47Å; A871-L875 PolarHBondContact O-N 3.35Å; A871-L875 VanDerWaalsContact O-N 3.17Å; V872-L875 PolarHBondContact O-N 3.43Å; L875-S877 VanDerWaalsContact C-N 3.27Å; L875-S877 PolarHBondContact O-N 3.17Å; L875-L878 WeakPolarHBondContact O-CB 3.17Å; L875-L878 PolarHBondContact O-N 3.07Å; L875-E879 PolarHBondContact O-N 3.16Å; L875-C895 HydrophobicContact CD1-CB 4.02Å; L875-F897 HydrophobicContact CD1-CD1 4.19Å; L875-F897 HydrophobicContact CD1-CE1 4.09Å |
| 876 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59 | -40.5 | 174.9 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | M444 L558 T569 V872 L878 E879 L880 | M444-V876 HydrophobicContact CE-CG1 3.9Å; M444-V876 HydrophobicContact SD-CB 4.1Å; M444-V876 HydrophobicContact SD-CG1 3.98Å; L558-V876 HydrophobicContact CB-CG1 3.86Å; L558-V876 HydrophobicContact CD1-CG1 4.19Å; T569-V876 HydrophobicContact CG2-CG2 3.56Å; V872-V876 HydrophobicContact CG1-CG2 4.32Å; V872-V876 WeakPolarHBondContact O-CG2 3.15Å; V872-V876 PolarHBondContact O-N 3.25Å; V876-L878 VanDerWaalsContact C-N 3.31Å; V876-L878 PolarHBondContact O-N 3.39Å; V876-E879 PolarHBondContact O-N 3.49Å; V876-L880 PolarHBondContact O-N 2.87Å |
| 877 | S | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -71 | -26.1 | -178.7 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | M444 N447 A873 G874 L875 I881 | M444-S877 VanDerWaalsContact CE-OG 3.3Å; M444-S877 WeakPolarHBondContact CE-OG 3.42Å; N447-S877 VanDerWaalsContact CB-OG 3.31Å; N447-S877 WeakPolarHBondContact CB-OG 2.88Å; N447-S877 PolarHBondContact ND2-OG 3.24Å; A873-S877 VanDerWaalsContact O-CB 3.3Å; A873-S877 WeakPolarHBondContact O-CB 3.22Å; A873-S877 PolarHBondContact O-N 3.35Å; A873-S877 PolarHBondContact O-OG 2.75Å; G874-S877 PolarHBondContact O-N 3.41Å; L875-S877 VanDerWaalsContact C-N 3.27Å; L875-S877 PolarHBondContact O-N 3.17Å; S877-I881 WeakPolarHBondContact O-CG1 3.47Å; S877-I881 PolarHBondContact O-N 2.93Å |
| 878 | L | 98.3 | Very high | 97.2 | Very high | 5 Ų | 5 | 12.3 Ų | 12.3 | 3% | 0.026 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.2 | -43.6 | 169.5 | -69.6 | 168 | 0 | 0 | 0 | 111.1 | L356 P358 L359 T390 L393 G874 L875 V876 L880 I881 K882 | L356-L878 HydrophobicContact CD1-CD2 4.25Å; P358-L878 HydrophobicContact CB-CD2 3.76Å; P358-L878 HydrophobicContact CB-CG 3.75Å; L359-L878 HydrophobicContact CB-CD2 4.38Å; L359-L878 HydrophobicContact CD1-CD1 4.45Å; T390-L878 HydrophobicContact CG2-CD1 3.75Å; T390-L878 HydrophobicContact CG2-CD2 4.02Å; T390-L878 HydrophobicContact CG2-CG 4.45Å; L393-L878 HydrophobicContact CD1-CD2 4.39Å; G874-L878 WeakPolarHBondContact O-CG 3.28Å; G874-L878 PolarHBondContact O-N 3.46Å; L875-L878 WeakPolarHBondContact O-CB 3.17Å; L875-L878 PolarHBondContact O-N 3.07Å; V876-L878 VanDerWaalsContact C-N 3.31Å; V876-L878 PolarHBondContact O-N 3.39Å; L878-L880 VanDerWaalsContact C-N 3.33Å; L878-I881 PolarHBondContact O-N 3.04Å; L878-K882 PolarHBondContact O-N 2.9Å |
| 879 | E | 98.4 | Very high | 96.9 | Very high | 12 Ų | 12 | 14.6 Ų | 14.6 | 6% | 0.056 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69.4 | -31.4 | 177.9 | -60.5 | -59.8 | 130 | 0 | 0 | 112.2 | I571 L875 V876 I881 K882 V883 L892 K893 | I571-E879 HydrophobicContact CD1-CB 3.41Å; I571-E879 VanDerWaalsContact CD1-CB 3.41Å; I571-E879 HydrophobicContact CD1-CG 3.64Å; I571-E879 HydrophobicContact CG1-CB 3.8Å; I571-E879 HydrophobicContact CG1-CG 3.72Å; I571-E879 HydrophobicContact CG2-CB 4.46Å; L875-E879 PolarHBondContact O-N 3.16Å; V876-E879 PolarHBondContact O-N 3.49Å; E879-I881 VanDerWaalsContact C-N 3.3Å; E879-I881 PolarHBondContact O-N 3.24Å; E879-K882 WeakPolarHBondContact O-CB 3.43Å; E879-K882 PolarHBondContact O-N 3.29Å; E879-K882 VanDerWaalsContact O-N 3.13Å; E879-K882 WeakPolarHBondContact OE1-CE 3.2Å; E879-K882 IonicContact OE1-NZ 2.81Å; E879-K882 PolarHBondContact OE1-NZ 3.19Å; E879-K882 WeakPolarHBondContact OE2-CD 3.42Å; E879-K882 IonicContact OE2-NZ 2.88Å; E879-V883 WeakPolarHBondContact O-CG2 3.44Å; E879-V883 PolarHBondContact O-N 2.84Å; E879-L892 WeakPolarHBondContact OE2-CA 3.4Å; E879-K893 PolarHBondContact OE2-N 2.83Å |
| 880 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -54.7 | -46 | 170.7 | 174.7 | 64.5 | 0 | 0 | 0 | 111.8 | F448 V453 V532 L558 V876 L878 K882 V883 V884 | F448-L880 HydrophobicContact CD1-CD2 4.07Å; F448-L880 HydrophobicContact CE1-CD2 3.6Å; V453-L880 HydrophobicContact CG2-CD2 4.3Å; V532-L880 HydrophobicContact CG1-CD1 3.85Å; V532-L880 HydrophobicContact CG2-CD1 4.22Å; L558-L880 HydrophobicContact CD1-CB 3.58Å; L558-L880 HydrophobicContact CD1-CD1 3.75Å; L558-L880 HydrophobicContact CD1-CG 4.24Å; V876-L880 PolarHBondContact O-N 2.87Å; L878-L880 VanDerWaalsContact C-N 3.33Å; L880-K882 VanDerWaalsContact C-N 3.27Å; L880-K882 PolarHBondContact O-N 3.4Å; L880-V883 PolarHBondContact O-N 3.24Å; L880-V884 HydrophobicContact CD1-CG2 3.81Å; L880-V884 HydrophobicContact CG-CG2 4.29Å; L880-V884 WeakPolarHBondContact O-CB 3.39Å; L880-V884 WeakPolarHBondContact O-CG2 3.35Å; L880-V884 PolarHBondContact O-N 2.96Å |
| 881 | I | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.2 | -41.3 | 179.2 | -61.3 | 166.3 | 0 | 0 | 0 | 110.3 | P358 L393 I419 L423 L427 L451 S877 L878 E879 G885 | P358-I881 HydrophobicContact CG-CD1 4.4Å; L393-I881 HydrophobicContact CD1-CB 4.07Å; L393-I881 HydrophobicContact CD1-CD1 4.01Å; L393-I881 HydrophobicContact CD1-CG2 3.9Å; L393-I881 HydrophobicContact CD2-CG2 4.22Å; L393-I881 HydrophobicContact CG-CG2 4.12Å; I419-I881 HydrophobicContact CD1-CG2 4.41Å; L423-I881 HydrophobicContact CD2-CG2 3.58Å; L423-I881 HydrophobicContact CG-CG2 4.25Å; L427-I881 HydrophobicContact CD1-CG1 4.46Å; L451-I881 HydrophobicContact CD1-CD1 4.49Å; L451-I881 HydrophobicContact CD1-CG1 4.4Å; L451-I881 HydrophobicContact CD2-CD1 3.93Å; L451-I881 HydrophobicContact CD2-CG1 4.45Å; S877-I881 WeakPolarHBondContact O-CG1 3.47Å; S877-I881 PolarHBondContact O-N 2.93Å; L878-I881 PolarHBondContact O-N 3.04Å; E879-I881 VanDerWaalsContact C-N 3.3Å; E879-I881 PolarHBondContact O-N 3.24Å; I881-G885 PolarHBondContact O-N 3Å |
| 882 | K | 97.6 | Very high | 96.1 | Very high | 5 Ų | 5 | 23 Ų | 23 | 2% | 0.022 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.2 | -44 | 178.9 | -60.9 | 176.4 | -174.9 | 176.5 | 0 | 112.3 | L878 E879 L880 V884 G885 G886 F887 S891 L892 | L878-K882 PolarHBondContact O-N 2.9Å; E879-K882 WeakPolarHBondContact O-CB 3.43Å; E879-K882 PolarHBondContact O-N 3.29Å; E879-K882 VanDerWaalsContact O-N 3.13Å; E879-K882 WeakPolarHBondContact OE1-CE 3.2Å; E879-K882 IonicContact OE1-NZ 2.81Å; E879-K882 PolarHBondContact OE1-NZ 3.19Å; E879-K882 WeakPolarHBondContact OE2-CD 3.42Å; E879-K882 IonicContact OE2-NZ 2.88Å; L880-K882 VanDerWaalsContact C-N 3.27Å; L880-K882 PolarHBondContact O-N 3.4Å; K882-V884 VanDerWaalsContact C-N 3.35Å; K882-G885 PolarHBondContact O-N 3.34Å; K882-G886 PolarHBondContact O-N 3.26Å; K882-F887 HydrophobicContact CB-CB 4.15Å; K882-F887 HydrophobicContact CB-CD2 4.17Å; K882-F887 HydrophobicContact CB-CG 4.18Å; K882-F887 HydrophobicContact CG-CD2 4.1Å; K882-F887 WeakPolarHBondContact O-CB 3.41Å; K882-F887 PolarHBondContact O-N 3.43Å; K882-S891 WeakPolarHBondContact CD-O 3.38Å; K882-S891 PolarHBondContact NZ-O 3.17Å; K882-L892 HydrophobicContact CB-CD2 4.14Å |
| 883 | V | 97.4 | Very high | 96 | Very high | 22 Ų | 22 | 23.6 Ų | 23.6 | 13% | 0.133 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | 178.3 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | P556 L558 I571 V573 E879 L880 G886 L892 | P556-V883 HydrophobicContact CB-CG1 3.74Å; P556-V883 HydrophobicContact CG-CG1 4.06Å; L558-V883 HydrophobicContact CD2-CG2 4.01Å; I571-V883 HydrophobicContact CG2-CG2 3.92Å; V573-V883 HydrophobicContact CG2-CG2 3.84Å; E879-V883 WeakPolarHBondContact O-CG2 3.44Å; E879-V883 PolarHBondContact O-N 2.84Å; L880-V883 PolarHBondContact O-N 3.24Å; V883-G886 PolarHBondContact O-N 2.9Å; V883-G886 VanDerWaalsContact O-N 3.15Å; V883-L892 HydrophobicContact CG2-CD2 4.1Å |
| 884 | V | 95.9 | Very high | 96 | Very high | 32 Ų | 32 | 24.5 Ų | 24.5 | 19% | 0.194 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.3 | -38.8 | 177.7 | 172 | 0 | 0 | 0 | 0 | 111.4 | L423 E426 L427 L430 L880 K882 G886 | L423-V884 HydrophobicContact CD1-CG1 4.34Å; E426-V884 HydrophobicContact CB-CG1 3.99Å; L427-V884 HydrophobicContact CD2-CB 4.33Å; L427-V884 HydrophobicContact CD2-CG1 4.16Å; L427-V884 HydrophobicContact CD2-CG2 4.3Å; L430-V884 HydrophobicContact CD1-CB 4.42Å; L430-V884 HydrophobicContact CD1-CG1 4.14Å; L430-V884 HydrophobicContact CD1-CG2 3.46Å; L430-V884 VanDerWaalsContact CD1-CG2 3.46Å; L430-V884 HydrophobicContact CD2-CG1 3.94Å; L430-V884 HydrophobicContact CD2-CG2 3.87Å; L430-V884 HydrophobicContact CG-CG1 4.36Å; L430-V884 HydrophobicContact CG-CG2 4.28Å; L880-V884 HydrophobicContact CD1-CG2 3.81Å; L880-V884 HydrophobicContact CG-CG2 4.29Å; L880-V884 WeakPolarHBondContact O-CB 3.39Å; L880-V884 WeakPolarHBondContact O-CG2 3.35Å; L880-V884 PolarHBondContact O-N 2.96Å; K882-V884 VanDerWaalsContact C-N 3.35Å; V884-G886 PolarHBondContact O-N 3.17Å |
| 885 | G | 94.6 | Very high | 95.9 | Very high | 33 Ų | 33 | 24.5 Ų | 24.5 | 34% | 0.34 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | I881 K882 F887 | I881-G885 PolarHBondContact O-N 3Å; K882-G885 PolarHBondContact O-N 3.34Å; G885-F887 WeakPolarHBondContact O-CD1 3.45Å |
| 886 | G | 94.1 | Very high | 95.9 | Very high | 66 Ų | 66 | 27.7 Ų | 27.7 | 68% | 0.68 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 34.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K882 V883 V884 | K882-G886 PolarHBondContact O-N 3.26Å; V883-G886 PolarHBondContact O-N 2.9Å; V883-G886 VanDerWaalsContact O-N 3.15Å; V884-G886 PolarHBondContact O-N 3.17Å |
| 887 | F | 94.3 | Very high | 95.9 | Very high | 20 Ų | 20 | 28.1 Ų | 28.1 | 9% | 0.088 | 17% | 0.174 | C | C | . | . | trans | -71.7 | 149 | -174.2 | -72.9 | 29.7 | 0 | 0 | 0 | 110.7 | E392 L393 P396 L397 K882 G885 | E392-F887 WeakPolarHBondContact O-CD2 3.41Å; E392-F887 VanDerWaalsContact O-CE2 3.23Å; E392-F887 WeakPolarHBondContact O-CE2 3.44Å; L393-F887 VanDerWaalsContact O-CE2 3.27Å; L393-F887 WeakPolarHBondContact O-CE2 3.31Å; L393-F887 WeakPolarHBondContact O-CZ 3.39Å; P396-F887 HydrophobicContact CB-CE2 4.18Å; P396-F887 HydrophobicContact CB-CZ 4.15Å; P396-F887 HydrophobicContact CG-CD2 3.83Å; P396-F887 HydrophobicContact CG-CE2 3.56Å; P396-F887 HydrophobicContact CG-CG 4.48Å; P396-F887 HydrophobicContact CG-CZ 4.04Å; L397-F887 HydrophobicContact CD2-CZ 4.15Å; L397-F887 HydrophobicContact CG-CZ 4.26Å; K882-F887 HydrophobicContact CB-CB 4.15Å; K882-F887 HydrophobicContact CB-CD2 4.17Å; K882-F887 HydrophobicContact CB-CG 4.18Å; K882-F887 HydrophobicContact CG-CD2 4.1Å; K882-F887 WeakPolarHBondContact O-CB 3.41Å; K882-F887 PolarHBondContact O-N 3.43Å; G885-F887 WeakPolarHBondContact O-CD1 3.45Å | ||
| 888 | G | 90.1 | Very high | 95.8 | Very high | 44 Ų | 44 | 29.1 Ų | 29.1 | 45% | 0.454 | 18% | 0.18 | S | C | . | . | trans | -68.6 | 162.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E890 S891 | G888-E890 VanDerWaalsContact C-N 3.29Å; G888-E890 PolarHBondContact O-N 2.91Å; G888-S891 WeakPolarHBondContact O-CB 3.3Å; G888-S891 PolarHBondContact O-N 3.01Å | ||
| 889 | F | 91.6 | Very high | 95.8 | Very high | 48 Ų | 48 | 29.1 Ų | 29.1 | 21% | 0.211 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -47.7 | -45.6 | -177.5 | 174.3 | -93.8 | 0 | 0 | 0 | 114 | T577 S891 L892 P909 P911 | T577-F889 HydrophobicContact CG2-CD2 4.26Å; T577-F889 HydrophobicContact CG2-CE2 4.29Å; F889-S891 PolarHBondContact O-N 2.9Å; F889-S891 VanDerWaalsContact O-N 3.08Å; F889-L892 PolarHBondContact O-N 3.4Å; F889-P909 HydrophobicContact CE2-CB 4.41Å; F889-P909 WeakPolarHBondContact CE2-O 3.22Å; F889-P909 WeakPolarHBondContact CZ-O 3.43Å; F889-P911 HydrophobicContact CE2-CB 3.94Å; F889-P911 HydrophobicContact CZ-CB 3.8Å; F889-P911 HydrophobicContact CZ-CG 4.32Å |
| 890 | E | 90.8 | Very high | 95.7 | Very high | 155 Ų | 155 | 28.6 Ų | 28.6 | 72% | 0.724 | 18% | 0.177 | S | C | * | . | G | 310 helix | trans | -62.2 | -19.5 | -178.1 | -60.7 | 178.7 | 176 | 0 | 0 | 113.8 | G888 | G888-E890 VanDerWaalsContact C-N 3.29Å; G888-E890 PolarHBondContact O-N 2.91Å |
| 891 | S | 92.7 | Very high | 95.5 | Very high | 23 Ų | 23 | 31.1 Ų | 31.1 | 16% | 0.161 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -85.8 | -19.6 | 179 | -58.3 | 0 | 0 | 0 | 0 | 113.3 | K882 G888 F889 | K882-S891 WeakPolarHBondContact CD-O 3.38Å; K882-S891 PolarHBondContact NZ-O 3.17Å; G888-S891 WeakPolarHBondContact O-CB 3.3Å; G888-S891 PolarHBondContact O-N 3.01Å; F889-S891 PolarHBondContact O-N 2.9Å; F889-S891 VanDerWaalsContact O-N 3.08Å |
| 892 | L | 95.6 | Very high | 95 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | trans | -79.4 | 141.8 | -178.4 | -56.9 | 177.9 | 0 | 0 | 0 | 110.1 | I571 V573 T577 E879 K882 V883 F889 P909 | I571-L892 HydrophobicContact CG2-CD1 4.44Å; I571-L892 HydrophobicContact CG2-CD2 4.29Å; V573-L892 HydrophobicContact CB-CD1 4.39Å; V573-L892 HydrophobicContact CG2-CD1 3.71Å; T577-L892 HydrophobicContact CG2-CD1 4.37Å; E879-L892 WeakPolarHBondContact OE2-CA 3.4Å; K882-L892 HydrophobicContact CB-CD2 4.14Å; V883-L892 HydrophobicContact CG2-CD2 4.1Å; F889-L892 PolarHBondContact O-N 3.4Å; L892-P909 HydrophobicContact CB-CG 3.83Å; L892-P909 VanDerWaalsContact O-CD 3.29Å; L892-P909 WeakPolarHBondContact O-CD 3.43Å | ||
| 893 | K | 95.9 | Very high | 94.9 | Very high | 12 Ų | 12 | 35.8 Ų | 35.8 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | trans | -135 | 131.1 | 177.5 | -60.6 | -66 | 170.9 | -162.7 | 0 | 111.4 | I571 E879 L906 T907 E908 | I571-K893 WeakPolarHBondContact CG1-O 3.47Å; E879-K893 PolarHBondContact OE2-N 2.83Å; K893-L906 HydrophobicContact CB-CD2 4.45Å; K893-T907 CarbonylContact C-O 3.54Å; K893-T907 WeakPolarHBondContact CA-O 3.1Å; K893-E908 VanDerWaalsContact NZ-CG 3.29Å; K893-E908 IonicContact NZ-OE1 3.13Å; K893-E908 PolarHBondContact NZ-OE1 3.18Å | ||
| 894 | N | 97.2 | Very high | 94.9 | Very high | 18 Ų | 18 | 35.2 Ų | 35.2 | 10% | 0.096 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 151.5 | 157.6 | -70.8 | -6 | 0 | 0 | 0 | 108.7 | T569 E570 I571 F896 L906 T907 | T569-N894 WeakPolarHBondContact O-CA 3.05Å; T569-N894 WeakPolarHBondContact O-CB 3.37Å; E570-N894 WeakPolarHBondContact CA-OD1 3.29Å; I571-N894 PolarHBondContact N-OD1 3Å; N894-F896 HydrophobicContact CB-CE2 4.12Å; N894-L906 WeakPolarHBondContact O-CA 3.14Å; N894-T907 PolarHBondContact N-O 3.45Å; N894-T907 PolarHBondContact O-N 3.44Å |
| 895 | C | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 138.3 | 176.9 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | H568 T569 L875 V905 L906 | H568-C895 CarbonylContact C-O 3.25Å; H568-C895 WeakPolarHBondContact CA-O 3.24Å; T569-C895 PolarHBondContact N-O 3.04Å; T569-C895 PolarHBondContact O-N 3.3Å; T569-C895 WeakPolarHBondContact OG1-CB 3.46Å; T569-C895 PolarHBondContact OG1-N 3.49Å; L875-C895 HydrophobicContact CD1-CB 4.02Å; C895-V905 CarbonylContact C-O 3.25Å; C895-V905 WeakPolarHBondContact CA-O 3.27Å; C895-L906 HydrophobicContact CB-CD2 3.75Å |
| 896 | F | 97.9 | Very high | 95 | Very high | 84 Ų | 84 | 35 Ų | 35 | 37% | 0.368 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.1 | 170.9 | -58.7 | -88.6 | 0 | 0 | 0 | 108.5 | H568 N894 V904 V905 | H568-F896 HydrophobicContact CB-CD1 3.59Å; H568-F896 HydrophobicContact CB-CE1 3.82Å; H568-F896 HydrophobicContact CB-CG 4.48Å; N894-F896 HydrophobicContact CB-CE2 4.12Å; F896-V904 CarbonylContact O-C 3.5Å; F896-V905 PolarHBondContact N-O 3.46Å; F896-V905 PolarHBondContact O-N 3.26Å |
| 897 | F | 97.9 | Very high | 95.1 | Very high | 10 Ų | 10 | 34.4 Ų | 34.4 | 4% | 0.044 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 159.8 | 177.5 | 67.8 | -107.3 | 0 | 0 | 0 | 111.9 | K566 G567 A868 A871 V872 L875 L899 V903 V904 | K566-F897 WeakPolarHBondContact CA-O 3.4Å; G567-F897 PolarHBondContact N-O 3.43Å; G567-F897 PolarHBondContact O-N 3.5Å; A868-F897 HydrophobicContact CB-CE2 4.04Å; A868-F897 HydrophobicContact CB-CZ 4.32Å; A871-F897 HydrophobicContact CB-CE1 3.98Å; A871-F897 HydrophobicContact CB-CE2 4.45Å; A871-F897 HydrophobicContact CB-CZ 3.65Å; V872-F897 HydrophobicContact CG2-CE1 3.5Å; V872-F897 HydrophobicContact CG2-CZ 3.52Å; L875-F897 HydrophobicContact CD1-CD1 4.19Å; L875-F897 HydrophobicContact CD1-CE1 4.09Å; F897-L899 HydrophobicContact CD2-CD1 4.41Å; F897-L899 HydrophobicContact CD2-CD2 3.6Å; F897-L899 HydrophobicContact CD2-CG 3.59Å; F897-L899 HydrophobicContact CE2-CD1 3.95Å; F897-L899 HydrophobicContact CE2-CD2 3.97Å; F897-L899 HydrophobicContact CE2-CG 3.61Å; F897-L899 HydrophobicContact CG-CD2 4.24Å; F897-V903 VanDerWaalsContact CA-O 3.3Å; F897-V903 WeakPolarHBondContact CA-O 3.27Å; F897-V903 VanDerWaalsContact CB-O 3.31Å; F897-V903 WeakPolarHBondContact CB-O 3.4Å; F897-V904 HydrophobicContact CB-CB 4.3Å; F897-V904 HydrophobicContact CB-CG1 4.4Å; F897-V904 HydrophobicContact CB-CG2 3.98Å |
| 898 | N | 97.9 | Very high | 95 | Very high | 21 Ų | 21 | 38.1 Ų | 38.1 | 11% | 0.112 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 99.8 | 166.6 | 177.7 | 5.9 | 0 | 0 | 0 | 109 | T565 K566 A900 I901 V903 | T565-N898 CarbonylContact O-C 3.59Å; T565-N898 WeakPolarHBondContact O-CA 3.42Å; T565-N898 PolarHBondContact OG1-OD1 3.29Å; K566-N898 HydrophobicContact CG-CB 3.95Å; N898-A900 PolarHBondContact O-N 2.67Å; N898-A900 WeakPolarHBondContact OD1-CB 3.38Å; N898-A900 PolarHBondContact OD1-N 3.13Å; N898-A900 VanDerWaalsContact OD1-N 3.11Å; N898-I901 HydrophobicContact CB-CD1 4.31Å; N898-I901 HydrophobicContact CB-CG1 3.9Å; N898-I901 CarbonylContact O-C 3.56Å; N898-I901 WeakPolarHBondContact O-CG1 3.22Å; N898-I901 PolarHBondContact O-N 3.49Å; N898-V903 PolarHBondContact N-O 2.82Å |
| 899 | L | 97.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -5.5 | -175.3 | -48.4 | 178.8 | 0 | 0 | 0 | 114.2 | I366 Q369 K373 T565 A868 F897 | I366-L899 HydrophobicContact CG1-CD2 3.97Å; I366-L899 HydrophobicContact CG2-CD2 4.49Å; Q369-L899 HydrophobicContact CB-CB 4.24Å; Q369-L899 HydrophobicContact CB-CD1 4Å; Q369-L899 HydrophobicContact CG-CB 3.71Å; Q369-L899 HydrophobicContact CG-CD1 4.26Å; K373-L899 WeakPolarHBondContact CE-O 3.29Å; K373-L899 PolarHBondContact NZ-O 3.45Å; T565-L899 PolarHBondContact O-N 3.43Å; A868-L899 HydrophobicContact CB-CD1 4.37Å; F897-L899 HydrophobicContact CD2-CD1 4.41Å; F897-L899 HydrophobicContact CD2-CD2 3.6Å; F897-L899 HydrophobicContact CD2-CG 3.59Å; F897-L899 HydrophobicContact CE2-CD1 3.95Å; F897-L899 HydrophobicContact CE2-CD2 3.97Å; F897-L899 HydrophobicContact CE2-CG 3.61Å; F897-L899 HydrophobicContact CG-CD2 4.24Å |
| 900 | A | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -20.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T178 F379 A380 T565 N898 | T178-A900 WeakPolarHBondContact O-CB 3.49Å; F379-A900 HydrophobicContact CB-CB 4.23Å; F379-A900 VanDerWaalsContact CB-O 3.26Å; F379-A900 WeakPolarHBondContact CB-O 3.4Å; F379-A900 HydrophobicContact CD1-CB 3.43Å; F379-A900 VanDerWaalsContact CD1-CB 3.43Å; F379-A900 HydrophobicContact CD2-CB 4.33Å; F379-A900 HydrophobicContact CE1-CB 3.79Å; F379-A900 HydrophobicContact CG-CB 3.74Å; F379-A900 HydrophobicContact CZ-CB 4.35Å; A380-A900 PolarHBondContact N-O 3.34Å; T565-A900 HydrophobicContact CG2-CB 4Å; T565-A900 VanDerWaalsContact OG1-CB 3.24Å; T565-A900 WeakPolarHBondContact OG1-CB 3.18Å; T565-A900 PolarHBondContact OG1-N 3.2Å; N898-A900 PolarHBondContact O-N 2.67Å; N898-A900 WeakPolarHBondContact OD1-CB 3.38Å; N898-A900 PolarHBondContact OD1-N 3.13Å; N898-A900 VanDerWaalsContact OD1-N 3.11Å |
| 901 | I | 94.7 | Very high | 95.6 | Very high | 53 Ų | 53 | 32.2 Ų | 32.2 | 27% | 0.272 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | 158.5 | 171.8 | 53.4 | 177.8 | 0 | 0 | 0 | 107.4 | T178 N898 V903 | T178-I901 HydrophobicContact CG2-CG2 4.35Å; N898-I901 HydrophobicContact CB-CD1 4.31Å; N898-I901 HydrophobicContact CB-CG1 3.9Å; N898-I901 CarbonylContact O-C 3.56Å; N898-I901 WeakPolarHBondContact O-CG1 3.22Å; N898-I901 PolarHBondContact O-N 3.49Å; I901-V903 HydrophobicContact CB-CG2 4.35Å; I901-V903 HydrophobicContact CD1-CB 4.18Å; I901-V903 HydrophobicContact CD1-CG2 3.63Å; I901-V903 HydrophobicContact CG1-CB 4.01Å; I901-V903 HydrophobicContact CG1-CG2 3.73Å; I901-V903 PolarHBondContact O-N 2.95Å |
| 902 | P | 87.6 | Confident | 95.6 | Very high | 46 Ų | 46 | 32 Ų | 32 | 30% | 0.299 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 69.1 | 176.9 | 30.8 | -35 | 0 | 0 | 0 | 109.7 | L281 L382 | L281-P902 WeakPolarHBondContact CD1-O 3.33Å; L281-P902 HydrophobicContact CD2-CB 4.44Å; L382-P902 HydrophobicContact CD1-CB 4.48Å |
| 903 | V | 95.1 | Very high | 95.5 | Very high | 58 Ų | 58 | 38.8 Ų | 38.8 | 35% | 0.352 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 119.1 | -179.6 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | F897 N898 I901 V905 | F897-V903 VanDerWaalsContact CA-O 3.3Å; F897-V903 WeakPolarHBondContact CA-O 3.27Å; F897-V903 VanDerWaalsContact CB-O 3.31Å; F897-V903 WeakPolarHBondContact CB-O 3.4Å; N898-V903 PolarHBondContact N-O 2.82Å; I901-V903 HydrophobicContact CB-CG2 4.35Å; I901-V903 HydrophobicContact CD1-CB 4.18Å; I901-V903 HydrophobicContact CD1-CG2 3.63Å; I901-V903 HydrophobicContact CG1-CB 4.01Å; I901-V903 HydrophobicContact CG1-CG2 3.73Å; I901-V903 PolarHBondContact O-N 2.95Å; V903-V905 HydrophobicContact CG1-CG2 3.82Å |
| 904 | V | 96.7 | Very high | 95.3 | Very high | 10 Ų | 10 | 46 Ų | 46 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 131.4 | 166.7 | -179.8 | 0 | 0 | 0 | 0 | 105.5 | P283 F386 F896 F897 | P283-V904 WeakPolarHBondContact CA-O 3.48Å; P283-V904 HydrophobicContact CB-CB 4.46Å; P283-V904 HydrophobicContact CB-CG1 4.3Å; F386-V904 HydrophobicContact CE2-CB 4.2Å; F386-V904 HydrophobicContact CE2-CG1 4.48Å; F386-V904 HydrophobicContact CE2-CG2 4.08Å; F386-V904 HydrophobicContact CZ-CG2 4.39Å; F896-V904 CarbonylContact O-C 3.5Å; F897-V904 HydrophobicContact CB-CB 4.3Å; F897-V904 HydrophobicContact CB-CG1 4.4Å; F897-V904 HydrophobicContact CB-CG2 3.98Å |
| 905 | V | 97.4 | Very high | 95 | Very high | 33 Ų | 33 | 47 Ų | 47 | 20% | 0.2 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 117.3 | -176.8 | -173.3 | 0 | 0 | 0 | 0 | 109.1 | P283 F285 C895 F896 V903 T907 | P283-V905 CarbonylContact O-C 3.55Å; P283-V905 VanDerWaalsContact O-CA 3.22Å; P283-V905 WeakPolarHBondContact O-CA 3.4Å; F285-V905 HydrophobicContact CD2-CG1 4.03Å; F285-V905 HydrophobicContact CE2-CG1 4.08Å; F285-V905 HydrophobicContact CE2-CG2 3.98Å; C895-V905 CarbonylContact C-O 3.25Å; C895-V905 WeakPolarHBondContact CA-O 3.27Å; F896-V905 PolarHBondContact N-O 3.46Å; F896-V905 PolarHBondContact O-N 3.26Å; V903-V905 HydrophobicContact CG1-CG2 3.82Å; V905-T907 HydrophobicContact CG1-CG2 3.97Å |
| 906 | L | 96.3 | Very high | 94.5 | Very high | 28 Ų | 28 | 51.8 Ų | 51.8 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 133.7 | 171.6 | -64 | 170.6 | 0 | 0 | 0 | 109.4 | P283 D284 L388 K893 N894 C895 | P283-L906 HydrophobicContact CB-CD1 4.47Å; P283-L906 PolarHBondContact O-N 3.35Å; D284-L906 HydrophobicContact CB-CB 4.18Å; D284-L906 HydrophobicContact CB-CD1 4.39Å; L388-L906 HydrophobicContact CD1-CD1 3.95Å; K893-L906 HydrophobicContact CB-CD2 4.45Å; N894-L906 WeakPolarHBondContact O-CA 3.14Å; C895-L906 HydrophobicContact CB-CD2 3.75Å |
| 907 | T | 94.8 | Very high | 94 | Very high | 53 Ų | 53 | 48.2 Ų | 48.2 | 33% | 0.325 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 154.3 | 177.1 | 67.7 | 0 | 0 | 0 | 0 | 110.2 | K893 N894 V905 | K893-T907 CarbonylContact C-O 3.54Å; K893-T907 WeakPolarHBondContact CA-O 3.1Å; N894-T907 PolarHBondContact N-O 3.45Å; N894-T907 PolarHBondContact O-N 3.44Å; V905-T907 HydrophobicContact CG1-CG2 3.97Å |
| 908 | E | 93.9 | Very high | 93.3 | Very high | 98 Ų | 98 | 51.1 Ų | 51.1 | 46% | 0.458 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 146.8 | 166.8 | -67.8 | 176.5 | 179.7 | 0 | 0 | 110.1 | K893 | K893-E908 VanDerWaalsContact NZ-CG 3.29Å; K893-E908 IonicContact NZ-OE1 3.13Å; K893-E908 PolarHBondContact NZ-OE1 3.18Å |
| 909 | P | 94.6 | Very high | 92.4 | Very high | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.032 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 157.3 | 168 | -21.9 | 32.9 | 0 | 0 | 0 | 111.3 | T577 F889 L892 | T577-P909 HydrophobicContact CG2-CB 3.74Å; T577-P909 HydrophobicContact CG2-CG 4.31Å; F889-P909 HydrophobicContact CE2-CB 4.41Å; F889-P909 WeakPolarHBondContact CE2-O 3.22Å; F889-P909 WeakPolarHBondContact CZ-O 3.43Å; L892-P909 HydrophobicContact CB-CG 3.83Å; L892-P909 VanDerWaalsContact O-CD 3.29Å; L892-P909 WeakPolarHBondContact O-CD 3.43Å |
| 910 | A | 93.8 | Very high | 91.6 | Very high | 35 Ų | 35 | 64.3 Ų | 64.3 | 29% | 0.289 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 129.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | T577 E578 | T577-A910 CarbonylContact C-O 3.41Å; T577-A910 VanDerWaalsContact CA-O 3.23Å; T577-A910 WeakPolarHBondContact CA-O 3.45Å; T577-A910 WeakPolarHBondContact CB-O 3.32Å; E578-A910 HydrophobicContact CB-CB 4.16Å; E578-A910 HydrophobicContact CG-CB 3.9Å; E578-A910 PolarHBondContact N-O 3.19Å |
| 911 | P | 95.1 | Very high | 91.2 | Very high | 82 Ų | 82 | 66.1 Ų | 66.1 | 53% | 0.532 | 35% | 0.35 | S | S | . | . | B | Isolated β-bridge | trans | -71.2 | 146.4 | 177.5 | 30 | -34.3 | 0 | 0 | 0 | 110.5 | E578 F889 K913 | E578-P911 WeakPolarHBondContact CG-O 3.44Å; F889-P911 HydrophobicContact CE2-CB 3.94Å; F889-P911 HydrophobicContact CZ-CB 3.8Å; F889-P911 HydrophobicContact CZ-CG 4.32Å; P911-K913 PolarHBondContact O-N 3.07Å |
| 912 | V | 94 | Very high | 91 | Very high | 19 Ų | 19 | 69.6 Ų | 69.6 | 12% | 0.115 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 128.1 | -180 | 67.5 | 0 | 0 | 0 | 0 | 112.3 | L576 T577 R914 T924 I925 | L576-V912 PolarHBondContact O-N 3.43Å; T577-V912 WeakPolarHBondContact O-CB 3.29Å; V912-R914 PolarHBondContact O-N 3.46Å; V912-T924 HydrophobicContact CG1-CG2 4.18Å; V912-T924 HydrophobicContact CG2-CG2 3.89Å; V912-I925 HydrophobicContact CG2-CG1 4.06Å |
| 913 | K | 92.3 | Very high | 91.2 | Very high | 144 Ų | 144 | 68.5 Ų | 68.5 | 63% | 0.626 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 125.2 | 173.9 | -173.1 | 176.7 | 178.5 | -180 | 0 | 111.7 | P911 | P911-K913 PolarHBondContact O-N 3.07Š|
| 914 | R | 91.9 | Very high | 91.1 | Very high | 162 Ų | 162 | 66.2 Ų | 66.2 | 61% | 0.611 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -92.7 | 116.9 | 169.5 | -66.1 | -176.9 | -179.9 | -170.2 | -0.1 | 110.1 | V912 Y922 T924 | V912-R914 PolarHBondContact O-N 3.46Å; R914-Y922 HydrophobicContact CG-CD2 4.4Å; R914-T924 HydrophobicContact CG-CG2 3.79Å |
| 915 | T | 90.4 | Very high | 90.9 | Very high | 39 Ų | 39 | 68.9 Ų | 68.9 | 24% | 0.239 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.4 | 178.2 | -56.1 | 0 | 0 | 0 | 0 | 109.4 | Y922 F923 P1010 | T915-Y922 VanDerWaalsContact O-CA 3.28Å; T915-Y922 WeakPolarHBondContact O-CA 3.45Å; T915-F923 HydrophobicContact CG2-CD1 4.45Å; T915-F923 HydrophobicContact CG2-CE1 3.66Å; T915-F923 HydrophobicContact CG2-CZ 4.03Å; T915-F923 PolarHBondContact N-O 3.23Å; T915-F923 WeakPolarHBondContact O-CD1 3.38Å; T915-F923 PolarHBondContact O-N 3.49Å; T915-P1010 HydrophobicContact CG2-CG 4.37Å |
| 916 | P | 88.4 | Confident | 90.7 | Very high | 102 Ų | 102 | 67.4 Ų | 67.4 | 66% | 0.662 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 139.8 | 175.2 | 30.2 | -33.1 | 0 | 0 | 0 | 110.6 | ||
| 917 | I | 86.2 | Confident | 90.5 | Very high | 9 Ų | 9 | 68.4 Ų | 68.4 | 5% | 0.046 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -68.5 | 170.6 | -44.5 | -179.5 | 0 | 0 | 0 | 109.3 | I921 F923 W929 I952 F999 L1009 | I917-I921 HydrophobicContact CB-CG2 4.38Å; I917-I921 HydrophobicContact CD1-CG2 3.98Å; I917-I921 HydrophobicContact CG1-CG2 4.37Å; I917-I921 PolarHBondContact N-O 2.87Å; I917-F923 HydrophobicContact CD1-CD1 3.6Å; I917-F923 HydrophobicContact CD1-CE1 4.13Å; I917-F923 HydrophobicContact CD1-CG 4.44Å; I917-F923 HydrophobicContact CG1-CD1 3.55Å; I917-F923 HydrophobicContact CG1-CE1 3.89Å; I917-W929 HydrophobicContact CD1-CH2 4.09Å; I917-W929 HydrophobicContact CD1-CZ2 4.35Å; I917-I952 HydrophobicContact CB-CD1 4.31Å; I917-I952 HydrophobicContact CG2-CD1 3.36Å; I917-F999 HydrophobicContact CD1-CD2 4.19Å; I917-F999 HydrophobicContact CD1-CE2 3.86Å; I917-F999 HydrophobicContact CG2-CB 4.19Å; I917-F999 HydrophobicContact CG2-CD2 3.56Å; I917-F999 HydrophobicContact CG2-CE2 4.25Å; I917-F999 HydrophobicContact CG2-CG 4.07Å; I917-L1009 HydrophobicContact CG2-CB 4.37Å; I917-L1009 WeakPolarHBondContact O-CD1 3.23Å |
| 918 | R | 84.3 | Confident | 90.3 | Very high | 71 Ų | 71 | 67.8 Ų | 67.8 | 27% | 0.268 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 150.7 | 179.5 | -170 | 169.9 | -71.3 | 175.7 | -2.7 | 111.5 | N920 I921 I952 A1000 P1001 | R918-N920 PolarHBondContact O-N 2.68Å; R918-I921 WeakPolarHBondContact O-CA 3.39Å; R918-I921 WeakPolarHBondContact O-CB 3.38Å; R918-I921 VanDerWaalsContact O-CG1 3.27Å; R918-I921 WeakPolarHBondContact O-CG1 3.41Å; R918-I921 PolarHBondContact O-N 2.83Å; R918-I952 HydrophobicContact CB-CD1 4.24Å; R918-A1000 PolarHBondContact NH2-O 2.71Å; R918-P1001 PolarHBondContact NH2-O 3.4Å |
| 919 | N | 78.6 | Confident | 90.2 | Very high | 141 Ų | 141 | 64.3 Ų | 64.3 | 75% | 0.754 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 50.2 | 170 | -64.1 | -21.2 | 0 | 0 | 0 | 114.3 | I921 | N919-I921 PolarHBondContact O-N 3.23Š|
| 920 | N | 81.9 | Confident | 90.2 | Very high | 163 Ų | 163 | 65.7 Ų | 65.7 | 87% | 0.872 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 10.3 | -175.5 | -59.6 | -23.9 | 0 | 0 | 0 | 116 | R918 Y922 | R918-N920 PolarHBondContact O-N 2.68Å; N920-Y922 WeakPolarHBondContact O-CD1 3.35Å |
| 921 | I | 86.9 | Confident | 90.2 | Very high | 38 Ų | 38 | 64.3 Ų | 64.3 | 20% | 0.195 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 122.2 | 167 | -55.7 | 168.5 | 0 | 0 | 0 | 107.8 | I917 R918 N919 W929 Y950 I952 | I917-I921 HydrophobicContact CB-CG2 4.38Å; I917-I921 HydrophobicContact CD1-CG2 3.98Å; I917-I921 HydrophobicContact CG1-CG2 4.37Å; I917-I921 PolarHBondContact N-O 2.87Å; R918-I921 WeakPolarHBondContact O-CA 3.39Å; R918-I921 WeakPolarHBondContact O-CB 3.38Å; R918-I921 VanDerWaalsContact O-CG1 3.27Å; R918-I921 WeakPolarHBondContact O-CG1 3.41Å; R918-I921 PolarHBondContact O-N 2.83Å; N919-I921 PolarHBondContact O-N 3.23Å; I921-W929 HydrophobicContact CG2-CH2 4.09Å; I921-W929 HydrophobicContact CG2-CZ2 3.93Å; I921-Y950 WeakPolarHBondContact CD1-O 3.4Å; I921-I952 HydrophobicContact CD1-CB 4.05Å; I921-I952 HydrophobicContact CD1-CG2 4.31Å |
| 922 | Y | 89.8 | Confident | 90.1 | Very high | 126 Ų | 126 | 64.9 Ų | 64.9 | 49% | 0.494 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 159.1 | 173.5 | 57.4 | -88.1 | 0 | 0 | 0 | 109.5 | R914 T915 N920 | R914-Y922 HydrophobicContact CG-CD2 4.4Å; T915-Y922 VanDerWaalsContact O-CA 3.28Å; T915-Y922 WeakPolarHBondContact O-CA 3.45Å; N920-Y922 WeakPolarHBondContact O-CD1 3.35Å |
| 923 | F | 92.1 | Very high | 89.9 | Confident | 23 Ų | 23 | 64 Ų | 64 | 10% | 0.101 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 161.5 | 168.8 | 76.2 | -76.4 | 0 | 0 | 0 | 110.8 | T915 I917 D927 P1010 P1012 | T915-F923 HydrophobicContact CG2-CD1 4.45Å; T915-F923 HydrophobicContact CG2-CE1 3.66Å; T915-F923 HydrophobicContact CG2-CZ 4.03Å; T915-F923 PolarHBondContact N-O 3.23Å; T915-F923 WeakPolarHBondContact O-CD1 3.38Å; T915-F923 PolarHBondContact O-N 3.49Å; I917-F923 HydrophobicContact CD1-CD1 3.6Å; I917-F923 HydrophobicContact CD1-CE1 4.13Å; I917-F923 HydrophobicContact CD1-CG 4.44Å; I917-F923 HydrophobicContact CG1-CD1 3.55Å; I917-F923 HydrophobicContact CG1-CE1 3.89Å; F923-D927 VanDerWaalsContact CA-OD2 3.32Å; F923-D927 WeakPolarHBondContact CA-OD2 3.23Å; F923-D927 HydrophobicContact CB-CB 4.16Å; F923-P1010 HydrophobicContact CE1-CG 4.42Å; F923-P1010 WeakPolarHBondContact CE1-O 3.18Å; F923-P1010 HydrophobicContact CZ-CB 4.08Å; F923-P1010 HydrophobicContact CZ-CG 4.16Å; F923-P1012 HydrophobicContact CB-CB 3.93Å; F923-P1012 HydrophobicContact CB-CG 3.84Å; F923-P1012 HydrophobicContact CD2-CB 3.85Å; F923-P1012 HydrophobicContact CD2-CG 4.38Å; F923-P1012 HydrophobicContact CG-CB 4.08Å; F923-P1012 HydrophobicContact CG-CG 4.14Å |
| 924 | T | 93.3 | Very high | 89.6 | Confident | 10 Ų | 10 | 61.9 Ų | 61.9 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | trans | -123.4 | 172.4 | 175.9 | 64.4 | 0 | 0 | 0 | 0 | 109.4 | V912 R914 W926 D927 | V912-T924 HydrophobicContact CG1-CG2 4.18Å; V912-T924 HydrophobicContact CG2-CG2 3.89Å; R914-T924 HydrophobicContact CG-CG2 3.79Å; T924-W926 PolarHBondContact O-N 2.7Å; T924-W926 VanDerWaalsContact O-N 3.13Å; T924-W926 PolarHBondContact OG1-N 3.49Å; T924-D927 PolarHBondContact N-OD2 2.9Å; T924-D927 PolarHBondContact O-N 3.17Å; T924-D927 VanDerWaalsContact O-N 3.17Å; T924-D927 PolarHBondContact OG1-OD2 3.23Å | ||
| 925 | I | 92.4 | Very high | 89.3 | Confident | 66 Ų | 66 | 60.8 Ų | 60.8 | 34% | 0.338 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -19.2 | 173.4 | 67.2 | 180 | 0 | 0 | 0 | 113.1 | V551 V912 | V551-I925 WeakPolarHBondContact CG1-O 3.48Å; V912-I925 HydrophobicContact CG2-CG1 4.06Å |
| 926 | W | 93.8 | Very high | 89.2 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -11.6 | -179.3 | -62.1 | 107.1 | 0 | 0 | 0 | 113.8 | V551 Q554 I572 P574 S575 T577 T924 | V551-W926 HydrophobicContact CB-CE3 4.41Å; V551-W926 HydrophobicContact CB-CZ3 4.23Å; V551-W926 HydrophobicContact CG1-CE3 4.31Å; V551-W926 HydrophobicContact CG2-CE3 4.37Å; V551-W926 HydrophobicContact CG2-CH2 4.01Å; V551-W926 HydrophobicContact CG2-CZ2 4.47Å; V551-W926 HydrophobicContact CG2-CZ3 3.97Å; Q554-W926 PolarHBondContact NE2-O 3.17Å; I572-W926 HydrophobicContact CG2-CH2 3.72Å; I572-W926 HydrophobicContact CG2-CZ2 3.62Å; P574-W926 HydrophobicContact CB-CD2 4.2Å; P574-W926 HydrophobicContact CB-CE3 3.88Å; P574-W926 HydrophobicContact CB-CH2 4.46Å; P574-W926 HydrophobicContact CB-CZ3 4Å; P574-W926 HydrophobicContact CG-CE3 4.16Å; P574-W926 HydrophobicContact CG-CH2 4.09Å; P574-W926 HydrophobicContact CG-CZ3 3.75Å; S575-W926 VanDerWaalsContact N-CG 3.32Å; T577-W926 PolarHBondContact O-NE1 3.25Å; T924-W926 PolarHBondContact O-N 2.7Å; T924-W926 VanDerWaalsContact O-N 3.13Å; T924-W926 PolarHBondContact OG1-N 3.49Å |
| 927 | D | 91.3 | Very high | 89.5 | Confident | 49 Ų | 49 | 60.7 Ų | 60.7 | 26% | 0.262 | 30% | 0.298 | S | S | . | . | trans | -80.3 | 131.4 | -179 | -68.9 | -53 | 0 | 0 | 0 | 110.8 | F923 T924 P1012 P1013 | F923-D927 VanDerWaalsContact CA-OD2 3.32Å; F923-D927 WeakPolarHBondContact CA-OD2 3.23Å; F923-D927 HydrophobicContact CB-CB 4.16Å; T924-D927 PolarHBondContact N-OD2 2.9Å; T924-D927 PolarHBondContact O-N 3.17Å; T924-D927 VanDerWaalsContact O-N 3.17Å; T924-D927 PolarHBondContact OG1-OD2 3.23Å; D927-P1012 HydrophobicContact CB-CB 4.07Å; D927-P1012 WeakPolarHBondContact O-CB 3.43Å; D927-P1013 WeakPolarHBondContact O-CD 3.42Å | ||
| 928 | C | 90.4 | Very high | 90 | Very high | 39 Ų | 39 | 61.5 Ų | 61.5 | 26% | 0.264 | 30% | 0.303 | S | S | . | . | trans | -133.6 | 117.6 | 172.3 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 929 | W | 92.8 | Very high | 90.5 | Very high | 25 Ų | 25 | 58.1 Ų | 58.1 | 10% | 0.095 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 151.3 | 177.1 | -74.2 | 2.1 | 0 | 0 | 0 | 110 | I917 I921 V946 Y950 I952 F999 P1012 P1013 V1014 R1015 | I917-W929 HydrophobicContact CD1-CH2 4.09Å; I917-W929 HydrophobicContact CD1-CZ2 4.35Å; I921-W929 HydrophobicContact CG2-CH2 4.09Å; I921-W929 HydrophobicContact CG2-CZ2 3.93Å; W929-V946 HydrophobicContact CE3-CG1 4.31Å; W929-V946 HydrophobicContact CZ3-CG1 4.22Å; W929-Y950 WeakPolarHBondContact CA-OH 3.27Å; W929-Y950 HydrophobicContact CB-CD2 4.42Å; W929-Y950 HydrophobicContact CB-CE1 4.08Å; W929-Y950 HydrophobicContact CB-CE2 3.72Å; W929-Y950 AromaticContact CD1-CE1 3.6Å; W929-Y950 AromaticContact CD1-CZ 3.96Å; W929-Y950 AromaticContact CD2-CD1 3.6Å; W929-Y950 HydrophobicContact CD2-CD1 3.6Å; W929-Y950 AromaticContact CD2-CD2 3.87Å; W929-Y950 HydrophobicContact CD2-CD2 3.87Å; W929-Y950 AromaticContact CD2-CE1 3.76Å; W929-Y950 HydrophobicContact CD2-CE1 3.76Å; W929-Y950 HydrophobicContact CD2-CE2 4.02Å; W929-Y950 AromaticContact CD2-CG 3.66Å; W929-Y950 HydrophobicContact CD2-CG 3.66Å; W929-Y950 AromaticContact CD2-CZ 3.97Å; W929-Y950 AromaticContact CE2-CD1 3.63Å; W929-Y950 AromaticContact CE2-CE1 3.99Å; W929-Y950 HydrophobicContact CE3-CD1 4.01Å; W929-Y950 AromaticContact CE3-CD2 3.59Å; W929-Y950 HydrophobicContact CE3-CD2 3.59Å; W929-Y950 HydrophobicContact CE3-CE1 4.46Å; W929-Y950 HydrophobicContact CE3-CE2 4.08Å; W929-Y950 AromaticContact CE3-CG 3.56Å; W929-Y950 HydrophobicContact CE3-CG 3.56Å; W929-Y950 AromaticContact CG-CD1 3.92Å; W929-Y950 HydrophobicContact CG-CD1 3.92Å; W929-Y950 HydrophobicContact CG-CD2 4.24Å; W929-Y950 AromaticContact CG-CE1 3.53Å; W929-Y950 HydrophobicContact CG-CE1 3.53Å; W929-Y950 AromaticContact CG-CE2 3.88Å; W929-Y950 HydrophobicContact CG-CE2 3.88Å; W929-Y950 HydrophobicContact CG-CG 4.26Å; W929-Y950 AromaticContact CG-CZ 3.51Å; W929-Y950 HydrophobicContact CH2-CD1 4.49Å; W929-Y950 HydrophobicContact CH2-CG 4.22Å; W929-Y950 HydrophobicContact CZ2-CD1 4.13Å; W929-Y950 HydrophobicContact CZ2-CG 4.3Å; W929-Y950 HydrophobicContact CZ3-CD1 4.42Å; W929-Y950 HydrophobicContact CZ3-CD2 4.17Å; W929-Y950 AromaticContact CZ3-CG 3.83Å; W929-Y950 HydrophobicContact CZ3-CG 3.83Å; W929-Y950 AromaticContact NE1-CD1 3.9Å; W929-Y950 AromaticContact NE1-CE1 3.85Å; W929-I952 HydrophobicContact CH2-CG2 3.8Å; W929-I952 HydrophobicContact CZ3-CG2 3.86Å; W929-F999 HydrophobicContact CE3-CZ 4.41Å; W929-F999 HydrophobicContact CH2-CE2 4.42Å; W929-F999 HydrophobicContact CH2-CZ 4.08Å; W929-F999 HydrophobicContact CZ3-CE1 4.29Å; W929-F999 HydrophobicContact CZ3-CE2 4.24Å; W929-F999 AromaticContact CZ3-CZ 3.52Å; W929-F999 HydrophobicContact CZ3-CZ 3.52Å; W929-P1012 HydrophobicContact CD2-CG 3.55Å; W929-P1012 HydrophobicContact CE3-CG 4.13Å; W929-P1012 HydrophobicContact CG-CG 3.8Å; W929-P1012 HydrophobicContact CH2-CG 4.36Å; W929-P1012 HydrophobicContact CZ2-CG 3.81Å; W929-P1013 PolarHBondContact N-O 3.36Å; W929-V1014 HydrophobicContact CB-CG1 4.35Å; W929-V1014 HydrophobicContact CB-CG2 4.1Å; W929-V1014 HydrophobicContact CE3-CG2 4.3Å; W929-V1014 CarbonylContact O-C 3.55Å; W929-V1014 WeakPolarHBondContact O-CA 3.4Å; W929-R1015 WeakPolarHBondContact O-CB 3.34Å; W929-R1015 PolarHBondContact O-N 3.29Å |
| 930 | T | 93.6 | Very high | 91.3 | Very high | 35 Ų | 35 | 53.4 Ų | 53.4 | 22% | 0.215 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 128.7 | -174.1 | -44.3 | 0 | 0 | 0 | 0 | 110.9 | F932 K949 Y950 R1015 H1017 | T930-F932 HydrophobicContact CG2-CD2 4.25Å; T930-F932 HydrophobicContact CG2-CE1 4.42Å; T930-F932 HydrophobicContact CG2-CE2 3.58Å; T930-F932 HydrophobicContact CG2-CZ 3.67Å; T930-K949 PolarHBondContact O-NZ 3.14Å; T930-Y950 PolarHBondContact N-OH 3.18Å; T930-Y950 PolarHBondContact O-OH 3.27Å; T930-R1015 WeakPolarHBondContact CA-O 3.48Å; T930-H1017 VanDerWaalsContact CG2-CD2 3.48Å; T930-H1017 WeakPolarHBondContact CG2-CD2 3.48Å |
| 931 | I | 94.4 | Very high | 91.9 | Very high | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 132.1 | 172.7 | -60.4 | -63.1 | 0 | 0 | 0 | 108.7 | F937 F942 A945 V946 K949 Y950 V1014 R1015 Y1016 H1017 | I931-F937 HydrophobicContact CG2-CE1 4.13Å; I931-F937 HydrophobicContact CG2-CZ 4.01Å; I931-F942 HydrophobicContact CB-CD2 4.25Å; I931-F942 HydrophobicContact CB-CE2 4.14Å; I931-F942 HydrophobicContact CG1-CD2 4.4Å; I931-F942 HydrophobicContact CG1-CE2 4.07Å; I931-F942 HydrophobicContact CG2-CD2 4.04Å; I931-F942 HydrophobicContact CG2-CE2 4.44Å; I931-A945 HydrophobicContact CD1-CB 4.06Å; I931-A945 HydrophobicContact CG2-CB 3.94Å; I931-V946 HydrophobicContact CD1-CG2 4.03Å; I931-V946 HydrophobicContact CG1-CG2 3.81Å; I931-K949 HydrophobicContact CD1-CB 4.5Å; I931-K949 HydrophobicContact CD1-CD 4.13Å; I931-Y950 HydrophobicContact CD1-CE2 3.98Å; I931-V1014 HydrophobicContact CB-CG1 4.41Å; I931-V1014 HydrophobicContact CG1-CG1 3.7Å; I931-R1015 PolarHBondContact N-O 3Å; I931-Y1016 HydrophobicContact CB-CD2 4.35Å; I931-Y1016 HydrophobicContact CG2-CD2 4.11Å; I931-Y1016 HydrophobicContact CG2-CE2 4.47Å; I931-Y1016 WeakPolarHBondContact O-CA 3.3Å; I931-H1017 PolarHBondContact O-N 2.92Å |
| 932 | F | 92.5 | Very high | 92.3 | Very high | 93 Ų | 93 | 46.7 Ų | 46.7 | 41% | 0.408 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 117 | 176.6 | -65.7 | -87.8 | 0 | 0 | 0 | 109.3 | T930 H1017 | T930-F932 HydrophobicContact CG2-CD2 4.25Å; T930-F932 HydrophobicContact CG2-CE1 4.42Å; T930-F932 HydrophobicContact CG2-CE2 3.58Å; T930-F932 HydrophobicContact CG2-CZ 3.67Å; F932-H1017 HydrophobicContact CD1-CB 3.6Å; F932-H1017 AromaticContact CD1-CG 3.81Å; F932-H1017 HydrophobicContact CE1-CB 3.98Å; F932-H1017 AromaticContact CE1-CD2 3.79Å; F932-H1017 AromaticContact CE1-CG 3.64Å; F932-H1017 AromaticContact CE1-ND1 3.9Å; F932-H1017 HydrophobicContact CG-CB 4.41Å |
| 933 | G | 89.8 | Confident | 92.5 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | trans | -101.1 | -170.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | H1017 S1019 P1020 | G933-H1017 WeakPolarHBondContact CA-O 3.45Å; G933-H1017 PolarHBondContact N-O 2.83Å; G933-S1019 CarbonylContact O-C 3.52Å; G933-P1020 VanDerWaalsContact O-CD 3.28Å; G933-P1020 WeakPolarHBondContact O-CD 3.31Å | ||
| 934 | H | 87.9 | Confident | 92.6 | Very high | 98 Ų | 98 | 42.6 Ų | 42.6 | 45% | 0.454 | 22% | 0.221 | S | C | . | . | trans | -151 | 178.8 | 176.9 | 62.3 | -34.1 | 0 | 0 | 0 | 108.2 | D936 F937 | H934-D936 VanDerWaalsContact C-N 3.32Å; H934-D936 PolarHBondContact O-N 3.27Å; H934-F937 AromaticContact CE1-CD2 3.65Å; H934-F937 WeakPolarHBondContact ND1-CB 3.48Å; H934-F937 AromaticContact ND1-CD2 3.41Å; H934-F937 WeakPolarHBondContact ND1-CD2 3.42Å; H934-F937 AromaticContact ND1-CG 3.86Å; H934-F937 WeakPolarHBondContact O-CB 3.4Å; H934-F937 PolarHBondContact O-N 2.85Å | ||
| 935 | E | 84.5 | Confident | 92.7 | Very high | 140 Ų | 140 | 43.1 Ų | 43.1 | 65% | 0.654 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -41.8 | -169.2 | -166.4 | 171.1 | -178.5 | 0 | 0 | 114.2 | ||
| 936 | D | 89.3 | Confident | 92.7 | Very high | 117 Ų | 117 | 40 Ų | 40 | 63% | 0.626 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 3 | -179.3 | -65.8 | -43.3 | 0 | 0 | 0 | 114.2 | H934 T938 | H934-D936 VanDerWaalsContact C-N 3.32Å; H934-D936 PolarHBondContact O-N 3.27Å; D936-T938 PolarHBondContact O-N 3.48Å |
| 937 | F | 94.2 | Very high | 92.7 | Very high | 21 Ų | 21 | 44 Ų | 44 | 9% | 0.092 | 23% | 0.226 | C | C | . | . | trans | -64.3 | 118 | -175.4 | -157.8 | -100.6 | 0 | 0 | 0 | 111.3 | I931 H934 D941 F942 A945 T979 M980 Y1016 | I931-F937 HydrophobicContact CG2-CE1 4.13Å; I931-F937 HydrophobicContact CG2-CZ 4.01Å; H934-F937 AromaticContact CE1-CD2 3.65Å; H934-F937 WeakPolarHBondContact ND1-CB 3.48Å; H934-F937 AromaticContact ND1-CD2 3.41Å; H934-F937 WeakPolarHBondContact ND1-CD2 3.42Å; H934-F937 AromaticContact ND1-CG 3.86Å; H934-F937 WeakPolarHBondContact O-CB 3.4Å; H934-F937 PolarHBondContact O-N 2.85Å; F937-D941 HydrophobicContact CD1-CB 4.1Å; F937-D941 HydrophobicContact CD2-CB 3.87Å; F937-D941 HydrophobicContact CE1-CB 4.01Å; F937-D941 HydrophobicContact CE2-CB 3.75Å; F937-D941 HydrophobicContact CG-CB 4.06Å; F937-D941 HydrophobicContact CZ-CB 3.83Å; F937-F942 HydrophobicContact CD1-CB 4.37Å; F937-F942 VanDerWaalsContact CE1-CA 3.4Å; F937-F942 HydrophobicContact CE1-CB 3.75Å; F937-F942 VanDerWaalsContact CE1-N 3.29Å; F937-A945 HydrophobicContact CZ-CB 3.99Å; F937-T979 WeakPolarHBondContact O-CA 3.47Å; F937-M980 HydrophobicContact CD1-CG 4.15Å; F937-M980 WeakPolarHBondContact O-CG 3.47Å; F937-M980 PolarHBondContact O-N 3.08Å; F937-Y1016 WeakPolarHBondContact CB-OH 3.36Å; F937-Y1016 AromaticContact CD1-CE2 3.49Å; F937-Y1016 HydrophobicContact CD1-CE2 3.49Å; F937-Y1016 VanDerWaalsContact CD1-CE2 3.49Å; F937-Y1016 AromaticContact CD1-CZ 3.85Å; F937-Y1016 WeakPolarHBondContact CD1-OH 3.42Å; F937-Y1016 HydrophobicContact CE1-CD2 4.46Å; F937-Y1016 AromaticContact CE1-CE2 3.64Å; F937-Y1016 HydrophobicContact CE1-CE2 3.64Å; F937-Y1016 HydrophobicContact CG-CE2 4.36Å | ||
| 938 | T | 96.3 | Very high | 92.8 | Very high | 26 Ų | 26 | 49.3 Ų | 49.3 | 16% | 0.16 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -85.9 | 165.4 | -177.6 | 70.1 | 0 | 0 | 0 | 0 | 112.6 | D936 S940 D941 F942 L978 | D936-T938 PolarHBondContact O-N 3.48Å; T938-S940 PolarHBondContact O-N 2.76Å; T938-S940 PolarHBondContact OG1-N 2.82Å; T938-D941 WeakPolarHBondContact CB-OD2 3.46Å; T938-D941 PolarHBondContact N-OD2 2.7Å; T938-D941 PolarHBondContact O-N 3.39Å; T938-D941 VanDerWaalsContact O-N 3.17Å; T938-D941 PolarHBondContact OG1-N 3.22Å; T938-D941 VanDerWaalsContact OG1-N 3.13Å; T938-D941 PolarHBondContact OG1-OD2 2.98Å; T938-F942 PolarHBondContact O-N 2.71Å; T938-L978 WeakPolarHBondContact CA-O 3.35Å |
| 939 | L | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.6 | -32.9 | 171 | 179.7 | 61.5 | 0 | 0 | 0 | 112 | F942 M943 V957 Y965 R975 L976 L978 M980 L983 | L939-F942 HydrophobicContact CD1-CD1 4.42Å; L939-F942 WeakPolarHBondContact O-CB 3.4Å; L939-F942 PolarHBondContact O-N 3.42Å; L939-M943 WeakPolarHBondContact O-CG 3.47Å; L939-M943 PolarHBondContact O-N 3.46Å; L939-M943 VanDerWaalsContact O-N 3.08Å; L939-V957 HydrophobicContact CD1-CB 4.45Å; L939-V957 HydrophobicContact CD1-CG1 4.44Å; L939-V957 HydrophobicContact CD1-CG2 4.48Å; L939-Y965 HydrophobicContact CD2-CD2 4.4Å; L939-Y965 HydrophobicContact CD2-CG 4.35Å; L939-R975 HydrophobicContact CD2-CB 4.31Å; L939-L976 HydrophobicContact CD2-CD2 4.31Å; L939-L976 HydrophobicContact CG-CD2 4.25Å; L939-L978 PolarHBondContact N-O 3.39Å; L939-L978 VanDerWaalsContact N-O 3.07Å; L939-M980 HydrophobicContact CB-SD 4.11Å; L939-M980 HydrophobicContact CD1-SD 3.83Å; L939-L983 HydrophobicContact CB-CD1 3.69Å; L939-L983 HydrophobicContact CD2-CD1 3.78Å; L939-L983 HydrophobicContact CG-CD1 4.23Å |
| 940 | S | 94.8 | Very high | 92.8 | Very high | 43 Ų | 43 | 54.1 Ų | 54.1 | 30% | 0.301 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 172.2 | -166.7 | 0 | 0 | 0 | 0 | 111.7 | T938 F942 M943 N944 L976 | T938-S940 PolarHBondContact O-N 2.76Å; T938-S940 PolarHBondContact OG1-N 2.82Å; S940-F942 VanDerWaalsContact C-N 3.28Å; S940-F942 PolarHBondContact O-N 3.16Å; S940-M943 PolarHBondContact O-N 2.92Å; S940-N944 WeakPolarHBondContact O-CB 3.17Å; S940-N944 PolarHBondContact O-N 3.22Å; S940-N944 PolarHBondContact O-ND2 3.37Å; S940-N944 PolarHBondContact O-OD1 3.05Å; S940-L976 WeakPolarHBondContact CB-O 3.3Å; S940-L976 PolarHBondContact N-O 3.33Å |
| 941 | D | 95.4 | Very high | 92.6 | Very high | 60 Ų | 60 | 55.3 Ų | 55.3 | 32% | 0.321 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64 | -37.5 | 176.9 | -57.1 | -41.3 | 0 | 0 | 0 | 111 | F937 T938 N944 A945 | F937-D941 HydrophobicContact CD1-CB 4.1Å; F937-D941 HydrophobicContact CD2-CB 3.87Å; F937-D941 HydrophobicContact CE1-CB 4.01Å; F937-D941 HydrophobicContact CE2-CB 3.75Å; F937-D941 HydrophobicContact CG-CB 4.06Å; F937-D941 HydrophobicContact CZ-CB 3.83Å; T938-D941 WeakPolarHBondContact CB-OD2 3.46Å; T938-D941 PolarHBondContact N-OD2 2.7Å; T938-D941 PolarHBondContact O-N 3.39Å; T938-D941 VanDerWaalsContact O-N 3.17Å; T938-D941 PolarHBondContact OG1-N 3.22Å; T938-D941 VanDerWaalsContact OG1-N 3.13Å; T938-D941 PolarHBondContact OG1-OD2 2.98Å; D941-N944 PolarHBondContact O-N 3.07Å; D941-A945 WeakPolarHBondContact O-CB 3.29Å; D941-A945 PolarHBondContact O-N 3.39Å |
| 942 | F | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.9 | -50.4 | 173.1 | 174.5 | -96 | 0 | 0 | 0 | 112.3 | I931 F937 T938 L939 S940 N944 A945 V946 V957 M980 L995 V997 V1014 Y1016 | I931-F942 HydrophobicContact CB-CD2 4.25Å; I931-F942 HydrophobicContact CB-CE2 4.14Å; I931-F942 HydrophobicContact CG1-CD2 4.4Å; I931-F942 HydrophobicContact CG1-CE2 4.07Å; I931-F942 HydrophobicContact CG2-CD2 4.04Å; I931-F942 HydrophobicContact CG2-CE2 4.44Å; F937-F942 HydrophobicContact CD1-CB 4.37Å; F937-F942 VanDerWaalsContact CE1-CA 3.4Å; F937-F942 HydrophobicContact CE1-CB 3.75Å; F937-F942 VanDerWaalsContact CE1-N 3.29Å; T938-F942 PolarHBondContact O-N 2.71Å; L939-F942 HydrophobicContact CD1-CD1 4.42Å; L939-F942 WeakPolarHBondContact O-CB 3.4Å; L939-F942 PolarHBondContact O-N 3.42Å; S940-F942 VanDerWaalsContact C-N 3.28Å; S940-F942 PolarHBondContact O-N 3.16Å; F942-N944 VanDerWaalsContact C-N 3.31Å; F942-N944 PolarHBondContact O-N 3.2Å; F942-A945 PolarHBondContact O-N 2.9Å; F942-V946 HydrophobicContact CE1-CG2 4.12Å; F942-V946 HydrophobicContact CE2-CG2 4.18Å; F942-V946 HydrophobicContact CZ-CG2 3.91Å; F942-V946 WeakPolarHBondContact O-CG2 3.5Å; F942-V946 PolarHBondContact O-N 3.34Å; F942-V957 HydrophobicContact CD1-CG1 4.47Å; F942-V957 HydrophobicContact CD1-CG2 4.29Å; F942-V957 HydrophobicContact CE1-CG1 3.94Å; F942-V957 HydrophobicContact CE1-CG2 3.93Å; F942-M980 HydrophobicContact CB-CE 4.29Å; F942-M980 HydrophobicContact CB-SD 4.21Å; F942-M980 HydrophobicContact CD2-CE 4.16Å; F942-M980 HydrophobicContact CG-CE 4.08Å; F942-L995 HydrophobicContact CD2-CD1 4.34Å; F942-L995 HydrophobicContact CE1-CD1 4.13Å; F942-L995 HydrophobicContact CE2-CD1 3.7Å; F942-L995 HydrophobicContact CZ-CD1 3.58Å; F942-V997 HydrophobicContact CE1-CG2 4.13Å; F942-V997 HydrophobicContact CZ-CG2 4.07Å; F942-V1014 HydrophobicContact CE2-CB 4.41Å; F942-V1014 HydrophobicContact CE2-CG1 3.68Å; F942-V1014 HydrophobicContact CZ-CB 3.97Å; F942-V1014 HydrophobicContact CZ-CG1 3.68Å; F942-Y1016 AromaticContact CD2-CD2 3.86Å; F942-Y1016 HydrophobicContact CD2-CD2 3.86Å; F942-Y1016 HydrophobicContact CD2-CE2 4.49Å; F942-Y1016 HydrophobicContact CD2-CG 4.45Å; F942-Y1016 HydrophobicContact CE2-CD2 4.3Å |
| 943 | M | 94.1 | Very high | 92.1 | Very high | 14 Ų | 14 | 56.2 Ų | 56.2 | 7% | 0.069 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 179.2 | -67.1 | 178.2 | 75.4 | 0 | 0 | 111.6 | L939 S940 V946 R947 P954 Y965 L976 | L939-M943 WeakPolarHBondContact O-CG 3.47Å; L939-M943 PolarHBondContact O-N 3.46Å; L939-M943 VanDerWaalsContact O-N 3.08Å; S940-M943 PolarHBondContact O-N 2.92Å; M943-V946 PolarHBondContact O-N 2.81Å; M943-R947 PolarHBondContact O-N 3.18Å; M943-P954 HydrophobicContact CB-CG 4.41Å; M943-P954 HydrophobicContact CE-CB 4.09Å; M943-P954 WeakPolarHBondContact CE-O 3.16Å; M943-P954 HydrophobicContact CG-CB 4.26Å; M943-P954 HydrophobicContact CG-CG 4.43Å; M943-Y965 HydrophobicContact CE-CD1 3.95Å; M943-Y965 HydrophobicContact CE-CE1 3.7Å; M943-Y965 HydrophobicContact SD-CD1 3.98Å; M943-Y965 HydrophobicContact SD-CE1 4.09Å; M943-Y965 HydrophobicContact SD-CG 4.44Å; M943-L976 HydrophobicContact SD-CD2 3.49Å; M943-L976 WeakPolarHBondContact SD-CD2 3.34Å |
| 944 | N | 94.8 | Very high | 92.2 | Very high | 48 Ų | 48 | 56.3 Ų | 56.3 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 176 | -66.9 | -16.6 | 0 | 0 | 0 | 111.5 | S940 D941 F942 V946 R947 E948 | S940-N944 WeakPolarHBondContact O-CB 3.17Å; S940-N944 PolarHBondContact O-N 3.22Å; S940-N944 PolarHBondContact O-ND2 3.37Å; S940-N944 PolarHBondContact O-OD1 3.05Å; D941-N944 PolarHBondContact O-N 3.07Å; F942-N944 VanDerWaalsContact C-N 3.31Å; F942-N944 PolarHBondContact O-N 3.2Å; N944-V946 PolarHBondContact O-N 3.43Å; N944-R947 WeakPolarHBondContact O-CB 3.43Å; N944-R947 PolarHBondContact O-N 3.05Å; N944-R947 PolarHBondContact OD1-NH2 3.33Å; N944-E948 WeakPolarHBondContact O-CB 3.22Å; N944-E948 WeakPolarHBondContact O-CG 3.36Å; N944-E948 PolarHBondContact O-N 3.39Å |
| 945 | A | 94.5 | Very high | 92.4 | Very high | 22 Ų | 22 | 52.4 Ų | 52.4 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I931 F937 D941 F942 K949 | I931-A945 HydrophobicContact CD1-CB 4.06Å; I931-A945 HydrophobicContact CG2-CB 3.94Å; F937-A945 HydrophobicContact CZ-CB 3.99Å; D941-A945 WeakPolarHBondContact O-CB 3.29Å; D941-A945 PolarHBondContact O-N 3.39Å; F942-A945 PolarHBondContact O-N 2.9Å; A945-K949 WeakPolarHBondContact O-CB 3.43Å; A945-K949 PolarHBondContact O-N 3.03Å |
| 946 | V | 93.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 172.4 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | W929 I931 F942 M943 N944 E948 K949 Y950 P954 F999 V1014 | W929-V946 HydrophobicContact CE3-CG1 4.31Å; W929-V946 HydrophobicContact CZ3-CG1 4.22Å; I931-V946 HydrophobicContact CD1-CG2 4.03Å; I931-V946 HydrophobicContact CG1-CG2 3.81Å; F942-V946 HydrophobicContact CE1-CG2 4.12Å; F942-V946 HydrophobicContact CE2-CG2 4.18Å; F942-V946 HydrophobicContact CZ-CG2 3.91Å; F942-V946 WeakPolarHBondContact O-CG2 3.5Å; F942-V946 PolarHBondContact O-N 3.34Å; M943-V946 PolarHBondContact O-N 2.81Å; N944-V946 PolarHBondContact O-N 3.43Å; V946-E948 PolarHBondContact O-N 3.41Å; V946-K949 PolarHBondContact O-N 2.97Å; V946-Y950 HydrophobicContact CG1-CD2 4.24Å; V946-Y950 WeakPolarHBondContact O-CB 3.4Å; V946-Y950 PolarHBondContact O-N 3.38Å; V946-P954 HydrophobicContact CB-CG 3.76Å; V946-P954 HydrophobicContact CG1-CG 3.7Å; V946-P954 HydrophobicContact CG2-CG 4.3Å; V946-F999 HydrophobicContact CG1-CE1 4.38Å; V946-V1014 HydrophobicContact CG2-CG1 4.25Å |
| 947 | R | 92 | Very high | 93 | Very high | 87 Ų | 87 | 42.1 Ų | 42.1 | 33% | 0.328 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61 | -44.8 | 177.8 | -178.4 | 178.3 | 57.5 | -150.1 | -9.6 | 112.7 | M943 N944 G951 I952 E953 | M943-R947 PolarHBondContact O-N 3.18Å; N944-R947 WeakPolarHBondContact O-CB 3.43Å; N944-R947 PolarHBondContact O-N 3.05Å; N944-R947 PolarHBondContact OD1-NH2 3.33Å; R947-G951 WeakPolarHBondContact O-CA 3.25Å; R947-G951 PolarHBondContact O-N 3.27Å; R947-I952 VanDerWaalsContact CA-O 3.25Å; R947-I952 WeakPolarHBondContact CA-O 3.5Å; R947-E953 WeakPolarHBondContact CD-OE2 3.27Å; R947-E953 HydrophobicContact CG-CB 4.41Å; R947-E953 IonicContact CZ-OE2 2.93Å; R947-E953 IonicContact NH1-OE1 2.74Å; R947-E953 PolarHBondContact NH1-OE1 3.45Å; R947-E953 IonicContact NH1-OE2 2.66Å; R947-E953 PolarHBondContact NH1-OE2 2.93Å |
| 948 | E | 93.6 | Very high | 92.9 | Very high | 160 Ų | 160 | 42.2 Ų | 42.2 | 75% | 0.748 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -68.6 | -42.2 | -180 | -74 | 174.5 | -170.2 | 0 | 0 | 112.1 | N944 V946 | N944-E948 WeakPolarHBondContact O-CB 3.22Å; N944-E948 WeakPolarHBondContact O-CG 3.36Å; N944-E948 PolarHBondContact O-N 3.39Å; V946-E948 PolarHBondContact O-N 3.41Å |
| 949 | K | 93.8 | Very high | 92.7 | Very high | 114 Ų | 114 | 42.7 Ų | 42.7 | 50% | 0.496 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -79.5 | -37.6 | -175.7 | -172.6 | 172 | 177.8 | -177.1 | 0 | 113.4 | T930 I931 A945 V946 | T930-K949 PolarHBondContact O-NZ 3.14Å; I931-K949 HydrophobicContact CD1-CB 4.5Å; I931-K949 HydrophobicContact CD1-CD 4.13Å; A945-K949 WeakPolarHBondContact O-CB 3.43Å; A945-K949 PolarHBondContact O-N 3.03Å; V946-K949 PolarHBondContact O-N 2.97Å |
| 950 | Y | 90.9 | Very high | 92.3 | Very high | 50 Ų | 50 | 45.7 Ų | 45.7 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -114.7 | -1.6 | -171.9 | -60.2 | -73.9 | 0 | 0 | 0 | 113.6 | I921 W929 T930 I931 V946 I952 | I921-Y950 WeakPolarHBondContact CD1-O 3.4Å; W929-Y950 WeakPolarHBondContact CA-OH 3.27Å; W929-Y950 HydrophobicContact CB-CD2 4.42Å; W929-Y950 HydrophobicContact CB-CE1 4.08Å; W929-Y950 HydrophobicContact CB-CE2 3.72Å; W929-Y950 AromaticContact CD1-CE1 3.6Å; W929-Y950 AromaticContact CD1-CZ 3.96Å; W929-Y950 AromaticContact CD2-CD1 3.6Å; W929-Y950 HydrophobicContact CD2-CD1 3.6Å; W929-Y950 AromaticContact CD2-CD2 3.87Å; W929-Y950 HydrophobicContact CD2-CD2 3.87Å; W929-Y950 AromaticContact CD2-CE1 3.76Å; W929-Y950 HydrophobicContact CD2-CE1 3.76Å; W929-Y950 HydrophobicContact CD2-CE2 4.02Å; W929-Y950 AromaticContact CD2-CG 3.66Å; W929-Y950 HydrophobicContact CD2-CG 3.66Å; W929-Y950 AromaticContact CD2-CZ 3.97Å; W929-Y950 AromaticContact CE2-CD1 3.63Å; W929-Y950 AromaticContact CE2-CE1 3.99Å; W929-Y950 HydrophobicContact CE3-CD1 4.01Å; W929-Y950 AromaticContact CE3-CD2 3.59Å; W929-Y950 HydrophobicContact CE3-CD2 3.59Å; W929-Y950 HydrophobicContact CE3-CE1 4.46Å; W929-Y950 HydrophobicContact CE3-CE2 4.08Å; W929-Y950 AromaticContact CE3-CG 3.56Å; W929-Y950 HydrophobicContact CE3-CG 3.56Å; W929-Y950 AromaticContact CG-CD1 3.92Å; W929-Y950 HydrophobicContact CG-CD1 3.92Å; W929-Y950 HydrophobicContact CG-CD2 4.24Å; W929-Y950 AromaticContact CG-CE1 3.53Å; W929-Y950 HydrophobicContact CG-CE1 3.53Å; W929-Y950 AromaticContact CG-CE2 3.88Å; W929-Y950 HydrophobicContact CG-CE2 3.88Å; W929-Y950 HydrophobicContact CG-CG 4.26Å; W929-Y950 AromaticContact CG-CZ 3.51Å; W929-Y950 HydrophobicContact CH2-CD1 4.49Å; W929-Y950 HydrophobicContact CH2-CG 4.22Å; W929-Y950 HydrophobicContact CZ2-CD1 4.13Å; W929-Y950 HydrophobicContact CZ2-CG 4.3Å; W929-Y950 HydrophobicContact CZ3-CD1 4.42Å; W929-Y950 HydrophobicContact CZ3-CD2 4.17Å; W929-Y950 AromaticContact CZ3-CG 3.83Å; W929-Y950 HydrophobicContact CZ3-CG 3.83Å; W929-Y950 AromaticContact NE1-CD1 3.9Å; W929-Y950 AromaticContact NE1-CE1 3.85Å; T930-Y950 PolarHBondContact N-OH 3.18Å; T930-Y950 PolarHBondContact O-OH 3.27Å; I931-Y950 HydrophobicContact CD1-CE2 3.98Å; V946-Y950 HydrophobicContact CG1-CD2 4.24Å; V946-Y950 WeakPolarHBondContact O-CB 3.4Å; V946-Y950 PolarHBondContact O-N 3.38Å; Y950-I952 VanDerWaalsContact C-N 3.28Å; Y950-I952 PolarHBondContact O-N 3.39Å |
| 951 | G | 88.2 | Confident | 91.9 | Very high | 61 Ų | 61 | 50.8 Ų | 50.8 | 63% | 0.629 | 29% | 0.285 | S | S | * | . | S | Bend | trans | 72.8 | 16 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R947 | R947-G951 WeakPolarHBondContact O-CA 3.25Å; R947-G951 PolarHBondContact O-N 3.27Å |
| 952 | I | 88.7 | Confident | 91.6 | Very high | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.062 | 29% | 0.288 | C | S | . | . | trans | -141.2 | 136.6 | -177.9 | -167.8 | 170.3 | 0 | 0 | 0 | 112.1 | I917 R918 I921 W929 R947 Y950 F999 | I917-I952 HydrophobicContact CB-CD1 4.31Å; I917-I952 HydrophobicContact CG2-CD1 3.36Å; R918-I952 HydrophobicContact CB-CD1 4.24Å; I921-I952 HydrophobicContact CD1-CB 4.05Å; I921-I952 HydrophobicContact CD1-CG2 4.31Å; W929-I952 HydrophobicContact CH2-CG2 3.8Å; W929-I952 HydrophobicContact CZ3-CG2 3.86Å; R947-I952 VanDerWaalsContact CA-O 3.25Å; R947-I952 WeakPolarHBondContact CA-O 3.5Å; Y950-I952 VanDerWaalsContact C-N 3.28Å; Y950-I952 PolarHBondContact O-N 3.39Å; I952-F999 HydrophobicContact CB-CD1 4.37Å; I952-F999 HydrophobicContact CB-CE1 4.43Å; I952-F999 HydrophobicContact CD1-CB 3.83Å; I952-F999 HydrophobicContact CD1-CD1 3.76Å; I952-F999 HydrophobicContact CD1-CD2 4.13Å; I952-F999 HydrophobicContact CD1-CE1 4.39Å; I952-F999 HydrophobicContact CD1-CG 3.62Å; I952-F999 HydrophobicContact CG1-CB 4.34Å; I952-F999 HydrophobicContact CG1-CD1 3.66Å; I952-F999 HydrophobicContact CG1-CE1 4.2Å; I952-F999 HydrophobicContact CG1-CG 4.05Å; I952-F999 HydrophobicContact CG2-CD1 3.97Å; I952-F999 HydrophobicContact CG2-CE1 3.58Å; I952-F999 HydrophobicContact CG2-CZ 3.95Å | ||
| 953 | E | 88.9 | Confident | 91.5 | Very high | 105 Ų | 105 | 56.1 Ų | 56.1 | 49% | 0.491 | 31% | 0.308 | S | S | . | . | trans | -89.2 | 122.6 | -175.8 | -173.2 | 156.8 | 177.6 | 0 | 0 | 112 | R947 F999 | R947-E953 WeakPolarHBondContact CD-OE2 3.27Å; R947-E953 HydrophobicContact CG-CB 4.41Å; R947-E953 IonicContact CZ-OE2 2.93Å; R947-E953 IonicContact NH1-OE1 2.74Å; R947-E953 PolarHBondContact NH1-OE1 3.45Å; R947-E953 IonicContact NH1-OE2 2.66Å; R947-E953 PolarHBondContact NH1-OE2 2.93Å; E953-F999 WeakPolarHBondContact O-CD1 3.38Å | ||
| 954 | P | 92.2 | Very high | 91.4 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 136 | 173.9 | -28.5 | 38.9 | 0 | 0 | 0 | 112.9 | M943 V946 V957 V997 F999 | M943-P954 HydrophobicContact CB-CG 4.41Å; M943-P954 HydrophobicContact CE-CB 4.09Å; M943-P954 WeakPolarHBondContact CE-O 3.16Å; M943-P954 HydrophobicContact CG-CB 4.26Å; M943-P954 HydrophobicContact CG-CG 4.43Å; V946-P954 HydrophobicContact CB-CG 3.76Å; V946-P954 HydrophobicContact CG1-CG 3.7Å; V946-P954 HydrophobicContact CG2-CG 4.3Å; P954-V957 HydrophobicContact CB-CG2 4.41Å; P954-V997 HydrophobicContact CB-CG1 3.66Å; P954-V997 HydrophobicContact CG-CG1 3.95Å; P954-F999 HydrophobicContact CG-CE1 4.35Å |
| 955 | S | 90.6 | Very high | 91.4 | Very high | 16 Ų | 16 | 54.7 Ų | 54.7 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -38 | 168.6 | 64.1 | 0 | 0 | 0 | 0 | 112 | Y965 P967 S998 F999 D1008 | S955-Y965 WeakPolarHBondContact O-CD1 3.43Å; S955-Y965 WeakPolarHBondContact O-CE1 3.48Å; S955-P967 VanDerWaalsContact O-CD 3.24Å; S955-P967 WeakPolarHBondContact O-CD 3.32Å; S955-P967 VanDerWaalsContact O-CG 3.28Å; S955-P967 WeakPolarHBondContact O-CG 3.48Å; S955-S998 PolarHBondContact N-O 3.16Å; S955-S998 VanDerWaalsContact OG-C 3.27Å; S955-S998 PolarHBondContact OG-O 2.74Å; S955-F999 VanDerWaalsContact OG-C 3.3Å; S955-F999 WeakPolarHBondContact OG-CA 3.4Å; S955-F999 PolarHBondContact OG-N 3.16Å; S955-D1008 PolarHBondContact OG-OD1 2.84Å |
| 956 | M | 92.1 | Very high | 91.2 | Very high | 41 Ų | 41 | 54.3 Ų | 54.3 | 20% | 0.202 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 144.4 | -175.3 | 167.5 | 166.3 | 33.1 | 0 | 0 | 111.2 | V958 V966 V997 S998 D1008 | M956-V958 HydrophobicContact CG-CG2 3.82Å; M956-V958 HydrophobicContact SD-CG2 4.08Å; M956-V966 HydrophobicContact CG-CG2 4.02Å; M956-V966 HydrophobicContact SD-CG1 4.43Å; M956-V966 HydrophobicContact SD-CG2 3.82Å; M956-V997 WeakPolarHBondContact O-CA 3.16Å; M956-S998 PolarHBondContact N-O 2.82Å; M956-S998 PolarHBondContact O-N 3.26Å; M956-D1008 WeakPolarHBondContact CE-OD2 3.23Å |
| 957 | V | 94.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 122.2 | 178.6 | -173 | 0 | 0 | 0 | 0 | 110 | L939 F942 P954 L964 Y965 L995 V997 | L939-V957 HydrophobicContact CD1-CB 4.45Å; L939-V957 HydrophobicContact CD1-CG1 4.44Å; L939-V957 HydrophobicContact CD1-CG2 4.48Å; F942-V957 HydrophobicContact CD1-CG1 4.47Å; F942-V957 HydrophobicContact CD1-CG2 4.29Å; F942-V957 HydrophobicContact CE1-CG1 3.94Å; F942-V957 HydrophobicContact CE1-CG2 3.93Å; P954-V957 HydrophobicContact CB-CG2 4.41Å; V957-L964 HydrophobicContact CG1-CB 4.42Å; V957-L964 HydrophobicContact CG1-CD1 4.19Å; V957-L964 WeakPolarHBondContact O-CA 3.41Å; V957-L964 WeakPolarHBondContact O-CB 3.42Å; V957-L964 PolarHBondContact O-N 3.08Å; V957-Y965 PolarHBondContact N-O 3.16Å; V957-Y965 PolarHBondContact O-N 3.45Å; V957-L995 HydrophobicContact CG1-CB 4.32Å; V957-L995 HydrophobicContact CG1-CD1 4.12Å; V957-V997 HydrophobicContact CG1-CG2 4.46Å |
| 958 | V | 93.4 | Very high | 90.4 | Very high | 23 Ų | 23 | 59.6 Ų | 59.6 | 14% | 0.139 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 143 | -176.7 | -173 | 0 | 0 | 0 | 0 | 110.3 | M956 G960 K962 T996 | M956-V958 HydrophobicContact CG-CG2 3.82Å; M956-V958 HydrophobicContact SD-CG2 4.08Å; V958-G960 VanDerWaalsContact CG1-O 3.23Å; V958-G960 WeakPolarHBondContact CG1-O 3.32Å; V958-K962 WeakPolarHBondContact CG1-O 3.47Å; V958-T996 PolarHBondContact N-O 3.43Å; V958-T996 PolarHBondContact O-N 2.93Å |
| 959 | H | 91.2 | Very high | 90.1 | Very high | 37 Ų | 37 | 55.7 Ų | 55.7 | 17% | 0.171 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 101.1 | 172.9 | 177.1 | -131 | 0 | 0 | 0 | 109.6 | V961 K962 L964 L995 | H959-V961 PolarHBondContact O-N 3.21Å; H959-K962 PolarHBondContact N-O 3.29Å; H959-K962 WeakPolarHBondContact O-CA 3.46Å; H959-K962 VanDerWaalsContact O-CB 3.28Å; H959-K962 WeakPolarHBondContact O-CB 3.27Å; H959-K962 PolarHBondContact O-N 2.78Å; H959-L964 HydrophobicContact CB-CD1 4.07Å; H959-L964 HydrophobicContact CB-CD2 4.34Å; H959-L964 HydrophobicContact CB-CG 4.18Å; H959-L995 HydrophobicContact CB-CD2 3.73Å |
| 960 | G | 85.9 | Confident | 89.7 | Confident | 63 Ų | 63 | 56.1 Ų | 56.1 | 65% | 0.649 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | -121.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111 | V958 K962 | V958-G960 VanDerWaalsContact CG1-O 3.23Å; V958-G960 WeakPolarHBondContact CG1-O 3.32Å; G960-K962 VanDerWaalsContact C-N 3.32Å |
| 961 | V | 86.1 | Confident | 89.4 | Confident | 150 Ų | 150 | 55.8 Ų | 55.8 | 91% | 0.909 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -5.2 | 174.2 | -61.3 | 0 | 0 | 0 | 0 | 113.4 | H959 | H959-V961 PolarHBondContact O-N 3.21Š|
| 962 | K | 90.3 | Very high | 89.5 | Confident | 86 Ų | 86 | 53.5 Ų | 53.5 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 109.5 | -173.8 | -167.6 | -178.9 | -171.2 | 172.1 | 0 | 111 | V958 H959 G960 L964 L983 | V958-K962 WeakPolarHBondContact CG1-O 3.47Å; H959-K962 PolarHBondContact N-O 3.29Å; H959-K962 WeakPolarHBondContact O-CA 3.46Å; H959-K962 VanDerWaalsContact O-CB 3.28Å; H959-K962 WeakPolarHBondContact O-CB 3.27Å; H959-K962 PolarHBondContact O-N 2.78Å; G960-K962 VanDerWaalsContact C-N 3.32Å; K962-L964 HydrophobicContact CD-CD2 4.01Å; K962-L964 HydrophobicContact CG-CD2 4.1Å; K962-L964 PolarHBondContact O-N 3.13Å; K962-L983 WeakPolarHBondContact CE-O 3.36Å; K962-L983 PolarHBondContact NZ-O 3.21Å |
| 963 | M | 92.3 | Very high | 89.5 | Confident | 86 Ų | 86 | 56.4 Ų | 56.4 | 42% | 0.424 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 104.2 | 174.1 | -63.5 | 173.2 | -173.5 | 0 | 0 | 110.4 | V966 M969 H972 R975 | M963-V966 HydrophobicContact CB-CG2 3.83Å; M963-V966 HydrophobicContact CG-CG2 4.04Å; M963-V966 HydrophobicContact SD-CG2 4.16Å; M963-M969 HydrophobicContact CE-CE 4.37Å; M963-M969 HydrophobicContact SD-CE 3.61Å; M963-H972 PolarHBondContact O-CE1 3.35Å; M963-R975 PolarHBondContact O-NH1 3.09Å |
| 964 | L | 93.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | -48.9 | 179.5 | -56.1 | -173.4 | 0 | 0 | 0 | 110.3 | V957 H959 K962 R975 L983 I984 L995 | V957-L964 HydrophobicContact CG1-CB 4.42Å; V957-L964 HydrophobicContact CG1-CD1 4.19Å; V957-L964 WeakPolarHBondContact O-CA 3.41Å; V957-L964 WeakPolarHBondContact O-CB 3.42Å; V957-L964 PolarHBondContact O-N 3.08Å; H959-L964 HydrophobicContact CB-CD1 4.07Å; H959-L964 HydrophobicContact CB-CD2 4.34Å; H959-L964 HydrophobicContact CB-CG 4.18Å; K962-L964 HydrophobicContact CD-CD2 4.01Å; K962-L964 HydrophobicContact CG-CD2 4.1Å; K962-L964 PolarHBondContact O-N 3.13Å; L964-R975 WeakPolarHBondContact O-CD 3.28Å; L964-L983 HydrophobicContact CD2-CB 4.36Å; L964-I984 HydrophobicContact CD1-CD1 4.36Å; L964-I984 HydrophobicContact CD1-CG1 3.93Å; L964-I984 HydrophobicContact CD2-CG1 4.5Å; L964-L995 HydrophobicContact CD1-CD2 3.9Å |
| 965 | Y | 93.7 | Very high | 89.6 | Confident | 31 Ų | 31 | 63.2 Ų | 63.2 | 12% | 0.122 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 126.4 | 177.1 | -176.2 | -109.2 | 0 | 0 | 0 | 110.8 | L939 M943 S955 V957 P967 H972 L976 | L939-Y965 HydrophobicContact CD2-CD2 4.4Å; L939-Y965 HydrophobicContact CD2-CG 4.35Å; M943-Y965 HydrophobicContact CE-CD1 3.95Å; M943-Y965 HydrophobicContact CE-CE1 3.7Å; M943-Y965 HydrophobicContact SD-CD1 3.98Å; M943-Y965 HydrophobicContact SD-CE1 4.09Å; M943-Y965 HydrophobicContact SD-CG 4.44Å; S955-Y965 WeakPolarHBondContact O-CD1 3.43Å; S955-Y965 WeakPolarHBondContact O-CE1 3.48Å; V957-Y965 PolarHBondContact N-O 3.16Å; V957-Y965 PolarHBondContact O-N 3.45Å; Y965-P967 HydrophobicContact CE1-CG 3.86Å; Y965-H972 HydrophobicContact CD2-CB 4.36Å; Y965-L976 HydrophobicContact CD2-CD2 3.77Å; Y965-L976 HydrophobicContact CD2-CG 4.08Å; Y965-L976 HydrophobicContact CE2-CD1 3.93Å; Y965-L976 HydrophobicContact CE2-CD2 3.69Å; Y965-L976 HydrophobicContact CE2-CG 3.77Å; Y965-L976 HydrophobicContact CG-CD2 4.29Å |
| 966 | V | 90.5 | Very high | 89.6 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 9% | 0.085 | 37% | 0.369 | C | S | . | . | trans | -146.1 | 114.8 | 175.9 | 178.1 | 0 | 0 | 0 | 0 | 105.3 | M956 M963 V968 M969 H972 | M956-V966 HydrophobicContact CG-CG2 4.02Å; M956-V966 HydrophobicContact SD-CG1 4.43Å; M956-V966 HydrophobicContact SD-CG2 3.82Å; M963-V966 HydrophobicContact CB-CG2 3.83Å; M963-V966 HydrophobicContact CG-CG2 4.04Å; M963-V966 HydrophobicContact SD-CG2 4.16Å; V966-V968 HydrophobicContact CG1-CG2 3.65Å; V966-V968 PolarHBondContact O-N 2.92Å; V966-M969 HydrophobicContact CB-CB 4.15Å; V966-M969 HydrophobicContact CB-CG 3.82Å; V966-M969 HydrophobicContact CG1-CB 4.46Å; V966-M969 HydrophobicContact CG1-CG 3.85Å; V966-M969 PolarHBondContact O-N 2.84Å; V966-M969 VanDerWaalsContact O-N 3.07Å; V966-H972 PolarHBondContact N-ND1 2.85Å; V966-H972 VanDerWaalsContact N-ND1 3.14Å; V966-H972 WeakPolarHBondContact O-CB 3.39Å | ||
| 967 | P | 85.1 | Confident | 89.7 | Confident | 67 Ų | 67 | 71.1 Ų | 71.1 | 44% | 0.435 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -36.7 | -169.9 | -28.3 | 34.6 | 0 | 0 | 0 | 113.9 | S955 Y965 M969 | S955-P967 VanDerWaalsContact O-CD 3.24Å; S955-P967 WeakPolarHBondContact O-CD 3.32Å; S955-P967 VanDerWaalsContact O-CG 3.28Å; S955-P967 WeakPolarHBondContact O-CG 3.48Å; Y965-P967 HydrophobicContact CE1-CG 3.86Å; P967-M969 VanDerWaalsContact C-N 3.31Å; P967-M969 PolarHBondContact O-N 3.36Å |
| 968 | V | 84.4 | Confident | 89.7 | Confident | 131 Ų | 131 | 73.7 Ų | 73.7 | 79% | 0.794 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -13.6 | -178.2 | -63.3 | 0 | 0 | 0 | 0 | 114.2 | V966 | V966-V968 HydrophobicContact CG1-CG2 3.65Å; V966-V968 PolarHBondContact O-N 2.92Å |
| 969 | M | 85.7 | Confident | 89.8 | Confident | 78 Ų | 78 | 74.4 Ų | 74.4 | 38% | 0.384 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -84.7 | 128 | -175.8 | -76 | -67.3 | -155.8 | 0 | 0 | 112.1 | M963 V966 P967 G971 H972 | M963-M969 HydrophobicContact CE-CE 4.37Å; M963-M969 HydrophobicContact SD-CE 3.61Å; V966-M969 HydrophobicContact CB-CB 4.15Å; V966-M969 HydrophobicContact CB-CG 3.82Å; V966-M969 HydrophobicContact CG1-CB 4.46Å; V966-M969 HydrophobicContact CG1-CG 3.85Å; V966-M969 PolarHBondContact O-N 2.84Å; V966-M969 VanDerWaalsContact O-N 3.07Å; P967-M969 VanDerWaalsContact C-N 3.31Å; P967-M969 PolarHBondContact O-N 3.36Å; M969-G971 PolarHBondContact O-N 2.96Å; M969-H972 HydrophobicContact CB-CB 4.26Å; M969-H972 WeakPolarHBondContact O-CB 3.37Å; M969-H972 PolarHBondContact O-N 3.27Å; M969-H972 VanDerWaalsContact O-N 3.15Å |
| 970 | P | 86.2 | Confident | 89.8 | Confident | 123 Ų | 123 | 72.6 Ų | 72.6 | 80% | 0.799 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 127.7 | 179.6 | -27.4 | 34.6 | 0 | 0 | 0 | 113.1 | H972 | P970-H972 VanDerWaalsContact C-N 3.29Å; P970-H972 PolarHBondContact O-N 3.29Å |
| 971 | G | 85.2 | Confident | 90 | Very high | 42 Ų | 42 | 73 Ų | 73 | 43% | 0.433 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -3.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | M969 S973 K974 | M969-G971 PolarHBondContact O-N 2.96Å; G971-S973 VanDerWaalsContact C-N 3.31Å; G971-S973 PolarHBondContact O-N 3.28Å; G971-K974 PolarHBondContact O-N 3.48Å |
| 972 | H | 90.5 | Very high | 90.2 | Very high | 13 Ų | 13 | 72.1 Ų | 72.1 | 6% | 0.06 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.6 | -31 | 176.5 | -79.4 | -146 | 0 | 0 | 0 | 112.4 | M963 Y965 V966 M969 P970 K974 R975 | M963-H972 PolarHBondContact O-CE1 3.35Å; Y965-H972 HydrophobicContact CD2-CB 4.36Å; V966-H972 PolarHBondContact N-ND1 2.85Å; V966-H972 VanDerWaalsContact N-ND1 3.14Å; V966-H972 WeakPolarHBondContact O-CB 3.39Å; M969-H972 HydrophobicContact CB-CB 4.26Å; M969-H972 WeakPolarHBondContact O-CB 3.37Å; M969-H972 PolarHBondContact O-N 3.27Å; M969-H972 VanDerWaalsContact O-N 3.15Å; P970-H972 VanDerWaalsContact C-N 3.29Å; P970-H972 PolarHBondContact O-N 3.29Å; H972-K974 PolarHBondContact O-N 3.22Å; H972-R975 VanDerWaalsContact CD2-CZ 3.41Å; H972-R975 PolarHBondContact CE1-NH1 3.32Å; H972-R975 PolarHBondContact NE2-NH1 3.36Å; H972-R975 PolarHBondContact NE2-NH2 2.99Å; H972-R975 VanDerWaalsContact NE2-NH2 3.19Å; H972-R975 WeakPolarHBondContact O-CA 3.3Å; H972-R975 VanDerWaalsContact O-CB 3.25Å; H972-R975 WeakPolarHBondContact O-CB 3.35Å; H972-R975 PolarHBondContact O-N 3.22Å |
| 973 | S | 88 | Confident | 90.3 | Very high | 74 Ų | 74 | 68.7 Ų | 68.7 | 52% | 0.517 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.8 | -30 | 173.7 | -37 | 0 | 0 | 0 | 0 | 113 | G971 R975 | G971-S973 VanDerWaalsContact C-N 3.31Å; G971-S973 PolarHBondContact O-N 3.28Å; S973-R975 VanDerWaalsContact C-N 3.25Å; S973-R975 PolarHBondContact O-N 3.15Å |
| 974 | K | 90.1 | Very high | 90.2 | Very high | 173 Ų | 173 | 65.1 Ų | 65.1 | 75% | 0.752 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -72.2 | -20.7 | 175 | -62.8 | -178.3 | -178.8 | 177.9 | 0 | 112.3 | G971 H972 L976 | G971-K974 PolarHBondContact O-N 3.48Å; H972-K974 PolarHBondContact O-N 3.22Å; K974-L976 VanDerWaalsContact C-N 3.32Å |
| 975 | R | 92.9 | Very high | 89.9 | Confident | 79 Ų | 79 | 72.8 Ų | 72.8 | 30% | 0.298 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -76 | -18.7 | 180 | -60.1 | -177.9 | -176.2 | 175.9 | 6.5 | 113.3 | L939 M963 L964 H972 S973 K977 L978 L983 | L939-R975 HydrophobicContact CD2-CB 4.31Å; M963-R975 PolarHBondContact O-NH1 3.09Å; L964-R975 WeakPolarHBondContact O-CD 3.28Å; H972-R975 VanDerWaalsContact CD2-CZ 3.41Å; H972-R975 PolarHBondContact CE1-NH1 3.32Å; H972-R975 PolarHBondContact NE2-NH1 3.36Å; H972-R975 PolarHBondContact NE2-NH2 2.99Å; H972-R975 VanDerWaalsContact NE2-NH2 3.19Å; H972-R975 WeakPolarHBondContact O-CA 3.3Å; H972-R975 VanDerWaalsContact O-CB 3.25Å; H972-R975 WeakPolarHBondContact O-CB 3.35Å; H972-R975 PolarHBondContact O-N 3.22Å; S973-R975 VanDerWaalsContact C-N 3.25Å; S973-R975 PolarHBondContact O-N 3.15Å; R975-K977 PolarHBondContact O-N 3.04Å; R975-K977 VanDerWaalsContact O-N 3.15Å; R975-L978 HydrophobicContact CB-CD1 4.29Å; R975-L978 HydrophobicContact CG-CD1 4.19Å; R975-L978 WeakPolarHBondContact O-CB 3.44Å; R975-L978 PolarHBondContact O-N 3.43Å; R975-L983 HydrophobicContact CB-CD2 4.09Å; R975-L983 HydrophobicContact CG-CD2 4.28Å |
| 976 | L | 91.2 | Very high | 89.4 | Confident | 38 Ų | 38 | 73.3 Ų | 73.3 | 20% | 0.199 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -33.1 | 176.2 | -69.8 | 171.7 | 0 | 0 | 0 | 112.6 | L939 S940 M943 Y965 K974 | L939-L976 HydrophobicContact CD2-CD2 4.31Å; L939-L976 HydrophobicContact CG-CD2 4.25Å; S940-L976 WeakPolarHBondContact CB-O 3.3Å; S940-L976 PolarHBondContact N-O 3.33Å; M943-L976 HydrophobicContact SD-CD2 3.49Å; M943-L976 WeakPolarHBondContact SD-CD2 3.34Å; Y965-L976 HydrophobicContact CD2-CD2 3.77Å; Y965-L976 HydrophobicContact CD2-CG 4.08Å; Y965-L976 HydrophobicContact CE2-CD1 3.93Å; Y965-L976 HydrophobicContact CE2-CD2 3.69Å; Y965-L976 HydrophobicContact CE2-CG 3.77Å; Y965-L976 HydrophobicContact CG-CD2 4.29Å; K974-L976 VanDerWaalsContact C-N 3.32Å |
| 977 | K | 93.2 | Very high | 88.8 | Confident | 184 Ų | 184 | 76.3 Ų | 76.3 | 80% | 0.8 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -5.2 | 178.4 | -58.3 | -175.7 | -179.7 | -174.7 | 0 | 114 | R975 | R975-K977 PolarHBondContact O-N 3.04Å; R975-K977 VanDerWaalsContact O-N 3.15Å |
| 978 | L | 94.8 | Very high | 88.2 | Confident | 54 Ų | 54 | 78.7 Ų | 78.7 | 28% | 0.283 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -86 | 144.8 | 179.2 | -60.5 | 179.5 | 0 | 0 | 0 | 109.7 | T938 L939 R975 K982 L983 | T938-L978 WeakPolarHBondContact CA-O 3.35Å; L939-L978 PolarHBondContact N-O 3.39Å; L939-L978 VanDerWaalsContact N-O 3.07Å; R975-L978 HydrophobicContact CB-CD1 4.29Å; R975-L978 HydrophobicContact CG-CD1 4.19Å; R975-L978 WeakPolarHBondContact O-CB 3.44Å; R975-L978 PolarHBondContact O-N 3.43Å; L978-K982 HydrophobicContact CD2-CD 4.24Å; L978-L983 HydrophobicContact CB-CD1 4.17Å; L978-L983 HydrophobicContact CB-CD2 4.09Å; L978-L983 HydrophobicContact CB-CG 3.93Å; L978-L983 HydrophobicContact CD1-CD2 3.88Å |
| 979 | T | 94.4 | Very high | 87.6 | Confident | 38 Ų | 38 | 76.8 Ų | 76.8 | 23% | 0.233 | 43% | 0.43 | C | S | . | . | B | Isolated β-bridge | trans | -65.4 | 146.6 | 175.6 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | F937 Q981 K982 L983 | F937-T979 WeakPolarHBondContact O-CA 3.47Å; T979-Q981 PolarHBondContact O-N 3.47Å; T979-K982 PolarHBondContact O-N 3.18Å; T979-K982 VanDerWaalsContact O-N 3.1Å; T979-K982 WeakPolarHBondContact OG1-CB 3.39Å; T979-K982 PolarHBondContact OG1-N 3.39Å; T979-L983 WeakPolarHBondContact O-CG 3.22Å; T979-L983 PolarHBondContact O-N 2.94Å |
| 980 | M | 92.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -57.6 | -36.9 | 175.8 | -71.3 | -62.5 | -81.1 | 0 | 0 | 111.3 | F937 L939 F942 K982 L983 I984 L995 Y1016 | F937-M980 HydrophobicContact CD1-CG 4.15Å; F937-M980 WeakPolarHBondContact O-CG 3.47Å; F937-M980 PolarHBondContact O-N 3.08Å; L939-M980 HydrophobicContact CB-SD 4.11Å; L939-M980 HydrophobicContact CD1-SD 3.83Å; F942-M980 HydrophobicContact CB-CE 4.29Å; F942-M980 HydrophobicContact CB-SD 4.21Å; F942-M980 HydrophobicContact CD2-CE 4.16Å; F942-M980 HydrophobicContact CG-CE 4.08Å; M980-K982 PolarHBondContact O-N 3.39Å; M980-L983 PolarHBondContact O-N 2.93Å; M980-I984 HydrophobicContact CB-CD1 4.3Å; M980-I984 HydrophobicContact CE-CD1 3.72Å; M980-I984 WeakPolarHBondContact O-CB 3.5Å; M980-I984 WeakPolarHBondContact O-CG1 3.47Å; M980-I984 PolarHBondContact O-N 3.28Å; M980-L995 HydrophobicContact CE-CD1 3.61Å; M980-Y1016 HydrophobicContact CB-CD1 4.45Å; M980-Y1016 HydrophobicContact CB-CE1 3.56Å; M980-Y1016 WeakPolarHBondContact CB-OH 3.31Å; M980-Y1016 HydrophobicContact CE-CD1 4.07Å; M980-Y1016 HydrophobicContact CE-CD2 4.49Å; M980-Y1016 HydrophobicContact CE-CE1 4.27Å; M980-Y1016 HydrophobicContact CE-CG 4.18Å; M980-Y1016 HydrophobicContact CG-CE1 4.03Å; M980-Y1016 HydrophobicContact CG-CE2 4.32Å |
| 981 | Q | 89.4 | Confident | 87 | Confident | 70 Ų | 70 | 82.5 Ų | 82.5 | 33% | 0.327 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 174.5 | -66.5 | -166.6 | 3.9 | 0 | 0 | 112.8 | T979 L983 K985 F1018 | T979-Q981 PolarHBondContact O-N 3.47Å; Q981-L983 VanDerWaalsContact C-N 3.33Å; Q981-L983 PolarHBondContact O-N 3.03Å; Q981-K985 VanDerWaalsContact O-CA 3.29Å; Q981-K985 WeakPolarHBondContact O-CA 3.29Å; Q981-K985 PolarHBondContact O-N 2.93Å; Q981-F1018 HydrophobicContact CG-CD1 4.27Å |
| 982 | K | 91 | Very high | 87.2 | Confident | 133 Ų | 133 | 82.3 Ų | 82.3 | 58% | 0.578 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -68.1 | -34.8 | 179 | -174.9 | 171.9 | 179.3 | 176.2 | 0 | 112.2 | L978 T979 M980 K985 | L978-K982 HydrophobicContact CD2-CD 4.24Å; T979-K982 PolarHBondContact O-N 3.18Å; T979-K982 VanDerWaalsContact O-N 3.1Å; T979-K982 WeakPolarHBondContact OG1-CB 3.39Å; T979-K982 PolarHBondContact OG1-N 3.39Å; M980-K982 PolarHBondContact O-N 3.39Å; K982-K985 WeakPolarHBondContact O-CG 3.44Å |
| 983 | L | 90.9 | Very high | 87.1 | Confident | 13 Ų | 13 | 81.7 Ų | 81.7 | 7% | 0.068 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -74.8 | -44.1 | 179.2 | -72.1 | 174.2 | 0 | 0 | 0 | 112.3 | L939 K962 L964 R975 L978 T979 M980 Q981 | L939-L983 HydrophobicContact CB-CD1 3.69Å; L939-L983 HydrophobicContact CD2-CD1 3.78Å; L939-L983 HydrophobicContact CG-CD1 4.23Å; K962-L983 WeakPolarHBondContact CE-O 3.36Å; K962-L983 PolarHBondContact NZ-O 3.21Å; L964-L983 HydrophobicContact CD2-CB 4.36Å; R975-L983 HydrophobicContact CB-CD2 4.09Å; R975-L983 HydrophobicContact CG-CD2 4.28Å; L978-L983 HydrophobicContact CB-CD1 4.17Å; L978-L983 HydrophobicContact CB-CD2 4.09Å; L978-L983 HydrophobicContact CB-CG 3.93Å; L978-L983 HydrophobicContact CD1-CD2 3.88Å; T979-L983 WeakPolarHBondContact O-CG 3.22Å; T979-L983 PolarHBondContact O-N 2.94Å; M980-L983 PolarHBondContact O-N 2.93Å; Q981-L983 VanDerWaalsContact C-N 3.33Å; Q981-L983 PolarHBondContact O-N 3.03Å |
| 984 | I | 90.5 | Very high | 87.2 | Confident | 11 Ų | 11 | 80.6 Ų | 80.6 | 6% | 0.056 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -86.1 | -39.2 | -175.3 | -67.2 | 157.1 | 0 | 0 | 0 | 111.3 | L964 M980 V993 L995 Y1016 F1018 | L964-I984 HydrophobicContact CD1-CD1 4.36Å; L964-I984 HydrophobicContact CD1-CG1 3.93Å; L964-I984 HydrophobicContact CD2-CG1 4.5Å; M980-I984 HydrophobicContact CB-CD1 4.3Å; M980-I984 HydrophobicContact CE-CD1 3.72Å; M980-I984 WeakPolarHBondContact O-CB 3.5Å; M980-I984 WeakPolarHBondContact O-CG1 3.47Å; M980-I984 PolarHBondContact O-N 3.28Å; I984-V993 HydrophobicContact CD1-CG2 3.71Å; I984-V993 HydrophobicContact CG2-CG1 3.99Å; I984-V993 HydrophobicContact CG2-CG2 4.42Å; I984-L995 HydrophobicContact CD1-CD2 4.49Å; I984-Y1016 HydrophobicContact CD1-CD1 4.29Å; I984-F1018 HydrophobicContact CB-CE1 4.4Å; I984-F1018 HydrophobicContact CB-CZ 4.37Å; I984-F1018 HydrophobicContact CD1-CE1 3.94Å; I984-F1018 HydrophobicContact CD1-CZ 4.08Å; I984-F1018 HydrophobicContact CG2-CE1 4.44Å; I984-F1018 HydrophobicContact CG2-CZ 3.93Å |
| 985 | K | 87.8 | Confident | 87.4 | Confident | 163 Ų | 163 | 72.3 Ų | 72.3 | 71% | 0.709 | 37% | 0.367 | S | S | * | . | trans | 54.8 | 60.7 | -172 | -56.3 | -176.7 | 178.2 | -176.3 | 0 | 112.1 | Q981 K982 | Q981-K985 VanDerWaalsContact O-CA 3.29Å; Q981-K985 WeakPolarHBondContact O-CA 3.29Å; Q981-K985 PolarHBondContact O-N 2.93Å; K982-K985 WeakPolarHBondContact O-CG 3.44Å | ||
| 986 | P | 81.8 | Confident | 87.4 | Confident | 42 Ų | 42 | 72.6 Ų | 72.6 | 27% | 0.273 | 38% | 0.378 | S | S | . | . | trans | -65.8 | 150.6 | -180 | 31.6 | -36.4 | 0 | 0 | 0 | 111.2 | R990 F1018 | P986-R990 HydrophobicContact CB-CB 4.4Å; P986-F1018 HydrophobicContact CB-CD2 4.39Å; P986-F1018 HydrophobicContact CB-CE1 4.24Å; P986-F1018 HydrophobicContact CB-CE2 3.73Å; P986-F1018 HydrophobicContact CB-CZ 3.65Å; P986-F1018 HydrophobicContact CG-CD1 4.11Å; P986-F1018 HydrophobicContact CG-CD2 4.38Å; P986-F1018 HydrophobicContact CG-CE1 3.71Å; P986-F1018 HydrophobicContact CG-CE2 4.01Å; P986-F1018 HydrophobicContact CG-CG 4.44Å; P986-F1018 HydrophobicContact CG-CZ 3.67Å | ||
| 987 | S | 78.9 | Confident | 87.5 | Confident | 76 Ų | 76 | 70.9 Ų | 70.9 | 53% | 0.531 | 37% | 0.369 | S | S | . | . | trans | -67.7 | 151.5 | 166.8 | 53.9 | 0 | 0 | 0 | 0 | 110.7 | A989 R990 | S987-A989 PolarHBondContact O-N 3.35Å; S987-R990 WeakPolarHBondContact O-CB 3.41Å; S987-R990 PolarHBondContact O-N 3.22Å; S987-R990 WeakPolarHBondContact OG-CB 3.38Å | ||
| 988 | A | 72.3 | Confident | 87.4 | Confident | 117 Ų | 117 | 63.1 Ų | 63.1 | 97% | 0.967 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -29.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 989 | A | 70.9 | Confident | 87.2 | Confident | 92 Ų | 92 | 60.5 Ų | 60.5 | 76% | 0.76 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -10.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S987 | S987-A989 PolarHBondContact O-N 3.35Š|
| 990 | R | 76.9 | Confident | 86.7 | Confident | 123 Ų | 123 | 60.9 Ų | 60.9 | 46% | 0.464 | 33% | 0.331 | S | S | . | . | trans | -90.6 | 114.1 | -169.1 | -169.5 | 165.6 | -171.8 | 170.4 | 1.2 | 111.2 | P986 S987 Y992 | P986-R990 HydrophobicContact CB-CB 4.4Å; S987-R990 WeakPolarHBondContact O-CB 3.41Å; S987-R990 PolarHBondContact O-N 3.22Å; S987-R990 WeakPolarHBondContact OG-CB 3.38Å; R990-Y992 VanDerWaalsContact CG-O 3.27Å; R990-Y992 WeakPolarHBondContact CG-O 3.44Å; R990-Y992 PolarHBondContact NE-O 3.38Å | ||
| 991 | R | 82.5 | Confident | 85.9 | Confident | 197 Ų | 197 | 62.4 Ų | 62.4 | 74% | 0.743 | 34% | 0.341 | S | S | * | . | trans | -82.3 | -29.6 | -174.8 | -63.3 | -176.1 | 179.3 | -177.4 | -0.5 | 114.2 | F1018 | R991-F1018 WeakPolarHBondContact O-CD2 3.44Å; R991-F1018 PolarHBondContact O-N 2.75Å | ||
| 992 | Y | 89.3 | Confident | 85 | Confident | 38 Ų | 38 | 66.3 Ų | 66.3 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 166.9 | -179.5 | 73.4 | -96.3 | 0 | 0 | 0 | 111.6 | D524 R990 D994 R1015 Y1016 | D524-Y992 WeakPolarHBondContact OD2-CE1 3.2Å; D524-Y992 PolarHBondContact OD2-OH 2.96Å; R990-Y992 VanDerWaalsContact CG-O 3.27Å; R990-Y992 WeakPolarHBondContact CG-O 3.44Å; R990-Y992 PolarHBondContact NE-O 3.38Å; Y992-D994 WeakPolarHBondContact CE2-OD1 3.32Å; Y992-R1015 HydrophobicContact CD2-CG 3.47Å; Y992-R1015 VanDerWaalsContact CD2-CG 3.47Å; Y992-R1015 HydrophobicContact CE2-CG 4.03Å; Y992-R1015 VanDerWaalsContact CE2-CZ 3.46Å; Y992-R1015 HydrophobicContact CG-CG 3.88Å; Y992-R1015 PolarHBondContact OH-NH2 2.91Å; Y992-Y1016 CarbonylContact C-O 3.59Å; Y992-Y1016 WeakPolarHBondContact CA-O 3.42Å; Y992-Y1016 WeakPolarHBondContact CB-O 3.28Å |
| 993 | V | 89.8 | Confident | 84 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 146.9 | 165.5 | -70.5 | 0 | 0 | 0 | 0 | 110.7 | I984 L995 R1015 Y1016 F1018 | I984-V993 HydrophobicContact CD1-CG2 3.71Å; I984-V993 HydrophobicContact CG2-CG1 3.99Å; I984-V993 HydrophobicContact CG2-CG2 4.42Å; V993-L995 HydrophobicContact CG2-CD2 3.93Å; V993-L995 HydrophobicContact CG2-CG 4.23Å; V993-R1015 CarbonylContact O-C 3.6Å; V993-R1015 WeakPolarHBondContact O-CA 3.43Å; V993-Y1016 HydrophobicContact CG2-CD1 4.28Å; V993-Y1016 PolarHBondContact N-O 2.84Å; V993-Y1016 PolarHBondContact O-N 2.84Å; V993-F1018 HydrophobicContact CB-CZ 4.44Å; V993-F1018 HydrophobicContact CG1-CE2 3.93Å; V993-F1018 HydrophobicContact CG1-CZ 3.86Å; V993-F1018 HydrophobicContact CG2-CE2 4.26Å; V993-F1018 HydrophobicContact CG2-CZ 3.82Å |
| 994 | D | 90.3 | Very high | 82.6 | Confident | 51 Ų | 51 | 71.1 Ų | 71.1 | 27% | 0.273 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 126.6 | 170.3 | -65.2 | -21.8 | 0 | 0 | 0 | 108.9 | Y992 R1015 | Y992-D994 WeakPolarHBondContact CE2-OD1 3.32Å; D994-R1015 WeakPolarHBondContact OD1-CA 3.41Å; D994-R1015 VanDerWaalsContact OD1-CB 3.28Å; D994-R1015 WeakPolarHBondContact OD1-CB 3.4Å; D994-R1015 WeakPolarHBondContact OD1-CG 3.16Å; D994-R1015 IonicContact OD1-CZ 3.6Å; D994-R1015 IonicContact OD1-NE 2.67Å; D994-R1015 PolarHBondContact OD1-NE 3.49Å; D994-R1015 IonicContact OD1-NH2 3.53Å; D994-R1015 PolarHBondContact OD1-NH2 3.36Å; D994-R1015 IonicContact OD2-CZ 2.94Å; D994-R1015 IonicContact OD2-NE 3.67Å; D994-R1015 IonicContact OD2-NH2 3.85Å; D994-R1015 PolarHBondContact OD2-NH2 3.05Å |
| 995 | L | 93.5 | Very high | 81 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 135.1 | -178.4 | -58.7 | 175.3 | 0 | 0 | 0 | 109.8 | F942 V957 H959 L964 M980 I984 V993 V997 P1013 V1014 | F942-L995 HydrophobicContact CD2-CD1 4.34Å; F942-L995 HydrophobicContact CE1-CD1 4.13Å; F942-L995 HydrophobicContact CE2-CD1 3.7Å; F942-L995 HydrophobicContact CZ-CD1 3.58Å; V957-L995 HydrophobicContact CG1-CB 4.32Å; V957-L995 HydrophobicContact CG1-CD1 4.12Å; H959-L995 HydrophobicContact CB-CD2 3.73Å; L964-L995 HydrophobicContact CD1-CD2 3.9Å; M980-L995 HydrophobicContact CE-CD1 3.61Å; I984-L995 HydrophobicContact CD1-CD2 4.49Å; V993-L995 HydrophobicContact CG2-CD2 3.93Å; V993-L995 HydrophobicContact CG2-CG 4.23Å; L995-V997 HydrophobicContact CB-CG2 4.29Å; L995-P1013 WeakPolarHBondContact O-CA 3.44Å; L995-V1014 WeakPolarHBondContact CB-O 3.33Å; L995-V1014 PolarHBondContact N-O 3.46Å; L995-V1014 PolarHBondContact O-N 3.24Å |
| 996 | T | 93.4 | Very high | 80.1 | Confident | 85 Ų | 85 | 71.6 Ų | 71.6 | 52% | 0.521 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 120.3 | 168.5 | -53.7 | 0 | 0 | 0 | 0 | 108 | V958 | V958-T996 PolarHBondContact N-O 3.43Å; V958-T996 PolarHBondContact O-N 2.93Å |
| 997 | V | 93.1 | Very high | 79.8 | Confident | 1 Ų | 1 | 78 Ų | 78 | 1% | 0.006 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 131.1 | -177.9 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | F942 P954 M956 V957 L995 F999 G1011 V1014 | F942-V997 HydrophobicContact CE1-CG2 4.13Å; F942-V997 HydrophobicContact CZ-CG2 4.07Å; P954-V997 HydrophobicContact CB-CG1 3.66Å; P954-V997 HydrophobicContact CG-CG1 3.95Å; M956-V997 WeakPolarHBondContact O-CA 3.16Å; V957-V997 HydrophobicContact CG1-CG2 4.46Å; L995-V997 HydrophobicContact CB-CG2 4.29Å; V997-F999 HydrophobicContact CG1-CE1 3.97Å; V997-F999 HydrophobicContact CG1-CZ 3.98Å; V997-G1011 WeakPolarHBondContact O-CA 3.36Å; V997-G1011 PolarHBondContact O-N 2.66Å; V997-V1014 HydrophobicContact CB-CG2 3.96Å; V997-V1014 HydrophobicContact CG2-CB 3.96Å; V997-V1014 HydrophobicContact CG2-CG2 3.51Å |
| 998 | S | 91.8 | Very high | 79.8 | Confident | 21 Ų | 21 | 77.7 Ų | 77.7 | 15% | 0.147 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 161.5 | 174.4 | -49.4 | 0 | 0 | 0 | 0 | 110.3 | S955 M956 L1009 | S955-S998 PolarHBondContact N-O 3.16Å; S955-S998 VanDerWaalsContact OG-C 3.27Å; S955-S998 PolarHBondContact OG-O 2.74Å; M956-S998 PolarHBondContact N-O 2.82Å; M956-S998 PolarHBondContact O-N 3.26Å; S998-L1009 WeakPolarHBondContact CA-O 3.28Å |
| 999 | F | 89.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 147.9 | -176.9 | -54.1 | -73.9 | 0 | 0 | 0 | 110.7 | I917 W929 V946 I952 E953 P954 S955 V997 D1008 L1009 G1011 | I917-F999 HydrophobicContact CD1-CD2 4.19Å; I917-F999 HydrophobicContact CD1-CE2 3.86Å; I917-F999 HydrophobicContact CG2-CB 4.19Å; I917-F999 HydrophobicContact CG2-CD2 3.56Å; I917-F999 HydrophobicContact CG2-CE2 4.25Å; I917-F999 HydrophobicContact CG2-CG 4.07Å; W929-F999 HydrophobicContact CE3-CZ 4.41Å; W929-F999 HydrophobicContact CH2-CE2 4.42Å; W929-F999 HydrophobicContact CH2-CZ 4.08Å; W929-F999 HydrophobicContact CZ3-CE1 4.29Å; W929-F999 HydrophobicContact CZ3-CE2 4.24Å; W929-F999 AromaticContact CZ3-CZ 3.52Å; W929-F999 HydrophobicContact CZ3-CZ 3.52Å; V946-F999 HydrophobicContact CG1-CE1 4.38Å; I952-F999 HydrophobicContact CB-CD1 4.37Å; I952-F999 HydrophobicContact CB-CE1 4.43Å; I952-F999 HydrophobicContact CD1-CB 3.83Å; I952-F999 HydrophobicContact CD1-CD1 3.76Å; I952-F999 HydrophobicContact CD1-CD2 4.13Å; I952-F999 HydrophobicContact CD1-CE1 4.39Å; I952-F999 HydrophobicContact CD1-CG 3.62Å; I952-F999 HydrophobicContact CG1-CB 4.34Å; I952-F999 HydrophobicContact CG1-CD1 3.66Å; I952-F999 HydrophobicContact CG1-CE1 4.2Å; I952-F999 HydrophobicContact CG1-CG 4.05Å; I952-F999 HydrophobicContact CG2-CD1 3.97Å; I952-F999 HydrophobicContact CG2-CE1 3.58Å; I952-F999 HydrophobicContact CG2-CZ 3.95Å; E953-F999 WeakPolarHBondContact O-CD1 3.38Å; P954-F999 HydrophobicContact CG-CE1 4.35Å; S955-F999 VanDerWaalsContact OG-C 3.3Å; S955-F999 WeakPolarHBondContact OG-CA 3.4Å; S955-F999 PolarHBondContact OG-N 3.16Å; V997-F999 HydrophobicContact CG1-CE1 3.97Å; V997-F999 HydrophobicContact CG1-CZ 3.98Å; F999-D1008 CarbonylContact O-C 3.6Å; F999-L1009 HydrophobicContact CB-CB 4.36Å; F999-L1009 PolarHBondContact N-O 2.95Å; F999-L1009 PolarHBondContact O-N 2.63Å; F999-G1011 VanDerWaalsContact CE2-CA 3.48Å |
| 1000 | A | 83.4 | Confident | 81.2 | Confident | 45 Ų | 45 | 73.1 Ų | 73.1 | 37% | 0.372 | 40% | 0.395 | S | S | . | . | trans | -63.3 | 144.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R918 | R918-A1000 PolarHBondContact NH2-O 2.71Š| ||
| 1001 | P | 77.3 | Confident | 81.7 | Confident | 32 Ų | 32 | 68 Ų | 68 | 21% | 0.208 | 38% | 0.38 | C | S | . | . | trans | -70.4 | 174.1 | 175.5 | 29.9 | -35.3 | 0 | 0 | 0 | 112.9 | R918 D1006 | R918-P1001 PolarHBondContact NH2-O 3.4Å; P1001-D1006 HydrophobicContact CB-CB 3.62Å; P1001-D1006 HydrophobicContact CG-CB 4.09Å | ||
| 1002 | E | 69.9 | Low | 82.1 | Confident | 152 Ų | 152 | 58.6 Ų | 58.6 | 71% | 0.71 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -79.7 | -28.8 | 177.2 | -68.4 | -171.1 | 165.9 | 0 | 0 | 113.1 | ||
| 1003 | S | 70.5 | Confident | 82.2 | Confident | 66 Ų | 66 | 59.4 Ų | 59.4 | 46% | 0.462 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -119 | 140.8 | 178.7 | -40.4 | 0 | 0 | 0 | 0 | 111 | G1005 D1006 | S1003-G1005 PolarHBondContact O-N 3.27Å; S1003-D1006 WeakPolarHBondContact CB-OD2 3.47Å; S1003-D1006 PolarHBondContact O-N 3.06Å; S1003-D1006 PolarHBondContact OG-OD2 3.1Å |
| 1004 | D | 61.2 | Low | 82.4 | Confident | 181 Ų | 181 | 59.4 Ų | 59.4 | 97% | 0.968 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 116 | 171.7 | -80.5 | -24.4 | 0 | 0 | 0 | 109.9 | ||
| 1005 | G | 57.5 | Low | 82.5 | Confident | 83 Ų | 83 | 58.6 Ų | 58.6 | 86% | 0.856 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 118.6 | -11.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S1003 | S1003-G1005 PolarHBondContact O-N 3.27Š|
| 1006 | D | 68.1 | Low | 82.5 | Confident | 101 Ų | 101 | 58.6 Ų | 58.6 | 54% | 0.54 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -81.5 | 163.3 | 173.9 | -69 | -26.3 | 0 | 0 | 0 | 111.9 | P1001 S1003 | P1001-D1006 HydrophobicContact CB-CB 3.62Å; P1001-D1006 HydrophobicContact CG-CB 4.09Å; S1003-D1006 WeakPolarHBondContact CB-OD2 3.47Å; S1003-D1006 PolarHBondContact O-N 3.06Å; S1003-D1006 PolarHBondContact OG-OD2 3.1Å |
| 1007 | E | 75 | Confident | 82.4 | Confident | 178 Ų | 178 | 55.6 Ų | 55.6 | 83% | 0.832 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 147.1 | 175.7 | -65.4 | -172.4 | 167.7 | 0 | 0 | 111.8 | L1009 | E1007-L1009 PolarHBondContact O-N 3.14Š|
| 1008 | D | 79.7 | Confident | 82.1 | Confident | 69 Ų | 69 | 56.5 Ų | 56.5 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 134.7 | 173.3 | -85.1 | -51.3 | 0 | 0 | 0 | 110.9 | S955 M956 F999 | S955-D1008 PolarHBondContact OG-OD1 2.84Å; M956-D1008 WeakPolarHBondContact CE-OD2 3.23Å; F999-D1008 CarbonylContact O-C 3.6Å |
| 1009 | L | 84.4 | Confident | 81.5 | Confident | 45 Ų | 45 | 58.1 Ų | 58.1 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 133.7 | 179.3 | -61.7 | 172.2 | 0 | 0 | 0 | 110.3 | I917 S998 F999 E1007 | I917-L1009 HydrophobicContact CG2-CB 4.37Å; I917-L1009 WeakPolarHBondContact O-CD1 3.23Å; S998-L1009 WeakPolarHBondContact CA-O 3.28Å; F999-L1009 HydrophobicContact CB-CB 4.36Å; F999-L1009 PolarHBondContact N-O 2.95Å; F999-L1009 PolarHBondContact O-N 2.63Å; E1007-L1009 PolarHBondContact O-N 3.14Å |
| 1010 | P | 87.8 | Confident | 80.3 | Confident | 67 Ų | 67 | 62.2 Ų | 62.2 | 44% | 0.435 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 152.5 | 177.7 | 31.3 | -35.3 | 0 | 0 | 0 | 111.2 | T915 F923 | T915-P1010 HydrophobicContact CG2-CG 4.37Å; F923-P1010 HydrophobicContact CE1-CG 4.42Å; F923-P1010 WeakPolarHBondContact CE1-O 3.18Å; F923-P1010 HydrophobicContact CZ-CB 4.08Å; F923-P1010 HydrophobicContact CZ-CG 4.16Å |
| 1011 | G | 87.4 | Confident | 78.8 | Confident | 15 Ų | 15 | 68.4 Ų | 68.4 | 16% | 0.155 | 39% | 0.391 | C | S | . | . | trans | -122.9 | 165.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V997 F999 | V997-G1011 WeakPolarHBondContact O-CA 3.36Å; V997-G1011 PolarHBondContact O-N 2.66Å; F999-G1011 VanDerWaalsContact CE2-CA 3.48Å | ||
| 1012 | P | 91 | Very high | 77.3 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 39% | 0.391 | C | S | . | . | trans | -64 | 153.1 | 165.3 | 28.8 | -31.1 | 0 | 0 | 0 | 109.7 | F923 D927 W929 V1014 | F923-P1012 HydrophobicContact CB-CB 3.93Å; F923-P1012 HydrophobicContact CB-CG 3.84Å; F923-P1012 HydrophobicContact CD2-CB 3.85Å; F923-P1012 HydrophobicContact CD2-CG 4.38Å; F923-P1012 HydrophobicContact CG-CB 4.08Å; F923-P1012 HydrophobicContact CG-CG 4.14Å; D927-P1012 HydrophobicContact CB-CB 4.07Å; D927-P1012 WeakPolarHBondContact O-CB 3.43Å; W929-P1012 HydrophobicContact CD2-CG 3.55Å; W929-P1012 HydrophobicContact CE3-CG 4.13Å; W929-P1012 HydrophobicContact CG-CG 3.8Å; W929-P1012 HydrophobicContact CH2-CG 4.36Å; W929-P1012 HydrophobicContact CZ2-CG 3.81Å; P1012-V1014 PolarHBondContact O-N 3.21Å | ||
| 1013 | P | 91 | Very high | 75.7 | Confident | 55 Ų | 55 | 70.3 Ų | 70.3 | 36% | 0.357 | 40% | 0.397 | S | S | . | . | trans | -55.8 | 140.2 | 170.6 | 24.3 | -33.1 | 0 | 0 | 0 | 110.5 | D927 W929 L995 | D927-P1013 WeakPolarHBondContact O-CD 3.42Å; W929-P1013 PolarHBondContact N-O 3.36Å; L995-P1013 WeakPolarHBondContact O-CA 3.44Å | ||
| 1014 | V | 94.1 | Very high | 73.8 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 106 | 175.5 | -173 | 0 | 0 | 0 | 0 | 109.1 | W929 I931 F942 V946 L995 V997 P1012 Y1016 | W929-V1014 HydrophobicContact CB-CG1 4.35Å; W929-V1014 HydrophobicContact CB-CG2 4.1Å; W929-V1014 HydrophobicContact CE3-CG2 4.3Å; W929-V1014 CarbonylContact O-C 3.55Å; W929-V1014 WeakPolarHBondContact O-CA 3.4Å; I931-V1014 HydrophobicContact CB-CG1 4.41Å; I931-V1014 HydrophobicContact CG1-CG1 3.7Å; F942-V1014 HydrophobicContact CE2-CB 4.41Å; F942-V1014 HydrophobicContact CE2-CG1 3.68Å; F942-V1014 HydrophobicContact CZ-CB 3.97Å; F942-V1014 HydrophobicContact CZ-CG1 3.68Å; V946-V1014 HydrophobicContact CG2-CG1 4.25Å; L995-V1014 WeakPolarHBondContact CB-O 3.33Å; L995-V1014 PolarHBondContact N-O 3.46Å; L995-V1014 PolarHBondContact O-N 3.24Å; V997-V1014 HydrophobicContact CB-CG2 3.96Å; V997-V1014 HydrophobicContact CG2-CB 3.96Å; V997-V1014 HydrophobicContact CG2-CG2 3.51Å; P1012-V1014 PolarHBondContact O-N 3.21Å; V1014-Y1016 PolarHBondContact O-N 3.13Å |
| 1015 | R | 92.1 | Very high | 72.4 | Confident | 35 Ų | 35 | 72 Ų | 72 | 13% | 0.132 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 108.6 | 172.1 | -176 | 160.2 | -66.8 | 172.8 | -1.5 | 110.7 | S552 W929 T930 I931 Y992 V993 D994 | S552-R1015 PolarHBondContact OG-NH2 3.28Å; W929-R1015 WeakPolarHBondContact O-CB 3.34Å; W929-R1015 PolarHBondContact O-N 3.29Å; T930-R1015 WeakPolarHBondContact CA-O 3.48Å; I931-R1015 PolarHBondContact N-O 3Å; Y992-R1015 HydrophobicContact CD2-CG 3.47Å; Y992-R1015 VanDerWaalsContact CD2-CG 3.47Å; Y992-R1015 HydrophobicContact CE2-CG 4.03Å; Y992-R1015 VanDerWaalsContact CE2-CZ 3.46Å; Y992-R1015 HydrophobicContact CG-CG 3.88Å; Y992-R1015 PolarHBondContact OH-NH2 2.91Å; V993-R1015 CarbonylContact O-C 3.6Å; V993-R1015 WeakPolarHBondContact O-CA 3.43Å; D994-R1015 WeakPolarHBondContact OD1-CA 3.41Å; D994-R1015 VanDerWaalsContact OD1-CB 3.28Å; D994-R1015 WeakPolarHBondContact OD1-CB 3.4Å; D994-R1015 WeakPolarHBondContact OD1-CG 3.16Å; D994-R1015 IonicContact OD1-CZ 3.6Å; D994-R1015 IonicContact OD1-NE 2.67Å; D994-R1015 PolarHBondContact OD1-NE 3.49Å; D994-R1015 IonicContact OD1-NH2 3.53Å; D994-R1015 PolarHBondContact OD1-NH2 3.36Å; D994-R1015 IonicContact OD2-CZ 2.94Å; D994-R1015 IonicContact OD2-NE 3.67Å; D994-R1015 IonicContact OD2-NH2 3.85Å; D994-R1015 PolarHBondContact OD2-NH2 3.05Å |
| 1016 | Y | 93.6 | Very high | 73.2 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 116.2 | 176.7 | 175.8 | -105.7 | 0 | 0 | 0 | 110.8 | I931 F937 F942 M980 I984 Y992 V993 V1014 F1018 | I931-Y1016 HydrophobicContact CB-CD2 4.35Å; I931-Y1016 HydrophobicContact CG2-CD2 4.11Å; I931-Y1016 HydrophobicContact CG2-CE2 4.47Å; I931-Y1016 WeakPolarHBondContact O-CA 3.3Å; F937-Y1016 WeakPolarHBondContact CB-OH 3.36Å; F937-Y1016 AromaticContact CD1-CE2 3.49Å; F937-Y1016 HydrophobicContact CD1-CE2 3.49Å; F937-Y1016 VanDerWaalsContact CD1-CE2 3.49Å; F937-Y1016 AromaticContact CD1-CZ 3.85Å; F937-Y1016 WeakPolarHBondContact CD1-OH 3.42Å; F937-Y1016 HydrophobicContact CE1-CD2 4.46Å; F937-Y1016 AromaticContact CE1-CE2 3.64Å; F937-Y1016 HydrophobicContact CE1-CE2 3.64Å; F937-Y1016 HydrophobicContact CG-CE2 4.36Å; F942-Y1016 AromaticContact CD2-CD2 3.86Å; F942-Y1016 HydrophobicContact CD2-CD2 3.86Å; F942-Y1016 HydrophobicContact CD2-CE2 4.49Å; F942-Y1016 HydrophobicContact CD2-CG 4.45Å; F942-Y1016 HydrophobicContact CE2-CD2 4.3Å; M980-Y1016 HydrophobicContact CB-CD1 4.45Å; M980-Y1016 HydrophobicContact CB-CE1 3.56Å; M980-Y1016 WeakPolarHBondContact CB-OH 3.31Å; M980-Y1016 HydrophobicContact CE-CD1 4.07Å; M980-Y1016 HydrophobicContact CE-CD2 4.49Å; M980-Y1016 HydrophobicContact CE-CE1 4.27Å; M980-Y1016 HydrophobicContact CE-CG 4.18Å; M980-Y1016 HydrophobicContact CG-CE1 4.03Å; M980-Y1016 HydrophobicContact CG-CE2 4.32Å; I984-Y1016 HydrophobicContact CD1-CD1 4.29Å; Y992-Y1016 CarbonylContact C-O 3.59Å; Y992-Y1016 WeakPolarHBondContact CA-O 3.42Å; Y992-Y1016 WeakPolarHBondContact CB-O 3.28Å; V993-Y1016 HydrophobicContact CG2-CD1 4.28Å; V993-Y1016 PolarHBondContact N-O 2.84Å; V993-Y1016 PolarHBondContact O-N 2.84Å; V1014-Y1016 PolarHBondContact O-N 3.13Å; Y1016-F1018 HydrophobicContact CD1-CD1 4.1Å; Y1016-F1018 AromaticContact CD1-CE1 3.95Å; Y1016-F1018 HydrophobicContact CD1-CE1 3.95Å; Y1016-F1018 HydrophobicContact CD1-CZ 4.34Å; Y1016-F1018 AromaticContact CE1-CD1 3.53Å; Y1016-F1018 HydrophobicContact CE1-CD1 3.53Å; Y1016-F1018 AromaticContact CE1-CE1 3.69Å; Y1016-F1018 HydrophobicContact CE1-CE1 3.69Å; Y1016-F1018 HydrophobicContact CE1-CG 4.24Å; Y1016-F1018 HydrophobicContact CE1-CZ 4.5Å |
| 1017 | H | 91.3 | Very high | 73.4 | Confident | 22 Ų | 22 | 69.9 Ų | 69.9 | 10% | 0.102 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 130.8 | 174.8 | -70.2 | -107.7 | 0 | 0 | 0 | 110.3 | T930 I931 F932 G933 S1019 S1022 | T930-H1017 VanDerWaalsContact CG2-CD2 3.48Å; T930-H1017 WeakPolarHBondContact CG2-CD2 3.48Å; I931-H1017 PolarHBondContact O-N 2.92Å; F932-H1017 HydrophobicContact CD1-CB 3.6Å; F932-H1017 AromaticContact CD1-CG 3.81Å; F932-H1017 HydrophobicContact CE1-CB 3.98Å; F932-H1017 AromaticContact CE1-CD2 3.79Å; F932-H1017 AromaticContact CE1-CG 3.64Å; F932-H1017 AromaticContact CE1-ND1 3.9Å; F932-H1017 HydrophobicContact CG-CB 4.41Å; G933-H1017 WeakPolarHBondContact CA-O 3.45Å; G933-H1017 PolarHBondContact N-O 2.83Å; H1017-S1019 VanDerWaalsContact C-N 3.26Å; H1017-S1019 PolarHBondContact O-N 3.36Å; H1017-S1022 PolarHBondContact ND1-OG 3.05Å |
| 1018 | F | 87.1 | Confident | 73.4 | Confident | 20 Ų | 20 | 63.9 Ų | 63.9 | 9% | 0.088 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -75.5 | -12.8 | -178.4 | -63.5 | -78.7 | 0 | 0 | 0 | 113.9 | Q981 I984 P986 R991 V993 Y1016 | Q981-F1018 HydrophobicContact CG-CD1 4.27Å; I984-F1018 HydrophobicContact CB-CE1 4.4Å; I984-F1018 HydrophobicContact CB-CZ 4.37Å; I984-F1018 HydrophobicContact CD1-CE1 3.94Å; I984-F1018 HydrophobicContact CD1-CZ 4.08Å; I984-F1018 HydrophobicContact CG2-CE1 4.44Å; I984-F1018 HydrophobicContact CG2-CZ 3.93Å; P986-F1018 HydrophobicContact CB-CD2 4.39Å; P986-F1018 HydrophobicContact CB-CE1 4.24Å; P986-F1018 HydrophobicContact CB-CE2 3.73Å; P986-F1018 HydrophobicContact CB-CZ 3.65Å; P986-F1018 HydrophobicContact CG-CD1 4.11Å; P986-F1018 HydrophobicContact CG-CD2 4.38Å; P986-F1018 HydrophobicContact CG-CE1 3.71Å; P986-F1018 HydrophobicContact CG-CE2 4.01Å; P986-F1018 HydrophobicContact CG-CG 4.44Å; P986-F1018 HydrophobicContact CG-CZ 3.67Å; R991-F1018 WeakPolarHBondContact O-CD2 3.44Å; R991-F1018 PolarHBondContact O-N 2.75Å; V993-F1018 HydrophobicContact CB-CZ 4.44Å; V993-F1018 HydrophobicContact CG1-CE2 3.93Å; V993-F1018 HydrophobicContact CG1-CZ 3.86Å; V993-F1018 HydrophobicContact CG2-CE2 4.26Å; V993-F1018 HydrophobicContact CG2-CZ 3.82Å; Y1016-F1018 HydrophobicContact CD1-CD1 4.1Å; Y1016-F1018 AromaticContact CD1-CE1 3.95Å; Y1016-F1018 HydrophobicContact CD1-CE1 3.95Å; Y1016-F1018 HydrophobicContact CD1-CZ 4.34Å; Y1016-F1018 AromaticContact CE1-CD1 3.53Å; Y1016-F1018 HydrophobicContact CE1-CD1 3.53Å; Y1016-F1018 AromaticContact CE1-CE1 3.69Å; Y1016-F1018 HydrophobicContact CE1-CE1 3.69Å; Y1016-F1018 HydrophobicContact CE1-CG 4.24Å; Y1016-F1018 HydrophobicContact CE1-CZ 4.5Å |
| 1019 | S | 79.4 | Confident | 73 | Confident | 55 Ų | 55 | 63.6 Ų | 63.6 | 39% | 0.385 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -141.7 | 142.8 | 178.9 | 169 | 0 | 0 | 0 | 0 | 111.5 | G933 H1017 E1021 S1022 | G933-S1019 CarbonylContact O-C 3.52Å; H1017-S1019 VanDerWaalsContact C-N 3.26Å; H1017-S1019 PolarHBondContact O-N 3.36Å; S1019-E1021 PolarHBondContact O-N 3.3Å; S1019-E1021 PolarHBondContact OG-N 3.21Å; S1019-S1022 PolarHBondContact O-OG 3.2Å; S1019-S1022 VanDerWaalsContact O-OG 3.09Å |
| 1020 | P | 65.3 | Low | 72.3 | Confident | 85 Ų | 85 | 64.8 Ų | 64.8 | 55% | 0.552 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -16.6 | 179.1 | 28.2 | -33.1 | 0 | 0 | 0 | 113.8 | G933 S1022 | G933-P1020 VanDerWaalsContact O-CD 3.28Å; G933-P1020 WeakPolarHBondContact O-CD 3.31Å; P1020-S1022 VanDerWaalsContact C-N 3.29Å; P1020-S1022 PolarHBondContact O-N 3.28Å |
| 1021 | E | 50.8 | Low | 71.2 | Confident | 175 Ų | 175 | 64.7 Ų | 64.7 | 82% | 0.818 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 14.2 | -176.7 | -71.5 | -171 | 160.9 | 0 | 0 | 114.8 | S1019 K1023 | S1019-E1021 PolarHBondContact O-N 3.3Å; S1019-E1021 PolarHBondContact OG-N 3.21Å; E1021-K1023 PolarHBondContact O-N 3.25Å; E1021-K1023 VanDerWaalsContact O-N 3.15Å |
| 1022 | S | 46.9 | Very low | 70.1 | Confident | 32 Ų | 32 | 68.2 Ų | 68.2 | 22% | 0.224 | 39% | 0.392 | C | S | . | . | trans | -86.8 | 39.7 | 175.7 | 51.6 | 0 | 0 | 0 | 0 | 113.6 | H1017 S1019 P1020 A1024 | H1017-S1022 PolarHBondContact ND1-OG 3.05Å; S1019-S1022 PolarHBondContact O-OG 3.2Å; S1019-S1022 VanDerWaalsContact O-OG 3.09Å; P1020-S1022 VanDerWaalsContact C-N 3.29Å; P1020-S1022 PolarHBondContact O-N 3.28Å; S1022-A1024 PolarHBondContact O-N 3.16Å | ||
| 1023 | K | 35.9 | Very low | 68.5 | Low | 193 Ų | 193 | 73.5 Ų | 73.5 | 84% | 0.839 | 42% | 0.422 | S | S | * | . | trans | -69.2 | 108.8 | 158.1 | -77.8 | -174.4 | 177 | -179.1 | 0 | 106.8 | E1021 | E1021-K1023 PolarHBondContact O-N 3.25Å; E1021-K1023 VanDerWaalsContact O-N 3.15Å | ||
| 1024 | A | 30.8 | Very low | 66.6 | Low | 85 Ų | 85 | 75 Ų | 75 | 70% | 0.702 | 43% | 0.427 | S | S | * | . | trans | -61.4 | 149 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S1022 | S1022-A1024 PolarHBondContact O-N 3.16Š| ||
| 1025 | P | 32 | Very low | 64.1 | Low | 198 Ų | 198 | 81.8 Ų | 81.8 | 100% | 1.286 | 47% | 0.466 | S | S | * | . | trans | -63.2 | 0 | 150.9 | 30.6 | -31.4 | 0 | 0 | 0 | 110.9 |
Retrieved 1,025 of 1,025 residues in 1485.5 ms
(Link to these results)