| 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 | 39.5 | Very low | 71.8 | Confident | 249 Ų | 249 | 104.8 Ų | 104.8 | 100% | 1.227 | 60% | 0.602 | S | S | * | * | 0 | 96.7 | 0 | -68.9 | -171.6 | 179.9 | 0 | 0 | 108.2 | |||||
| 2 | S | 46.8 | Very low | 74.1 | Confident | 118 Ų | 118 | 96.1 Ų | 96.1 | 83% | 0.825 | 55% | 0.552 | S | S | * | * | trans | -139.6 | 63.6 | 167.1 | 67.2 | 0 | 0 | 0 | 0 | 107.5 | S4 | S2-S4 VanDerWaalsContact C-N 3.28Å; S2-S4 PolarHBondContact O-N 2.86Å | ||
| 3 | G | 51.4 | Low | 76 | Confident | 70 Ų | 70 | 88.8 Ų | 88.8 | 72% | 0.722 | 51% | 0.51 | S | S | * | . | trans | -69.3 | 99 | 162 | 0 | 0 | 0 | 0 | 0 | 105.4 | T5 | G3-T5 PolarHBondContact O-N 3.04Š| ||
| 4 | S | 54.9 | Low | 77.6 | Confident | 100 Ų | 100 | 83.9 Ų | 83.9 | 70% | 0.699 | 48% | 0.483 | S | S | * | . | trans | -58.6 | 101.2 | 162.9 | 50.4 | 0 | 0 | 0 | 0 | 105.4 | S2 E6 | S2-S4 VanDerWaalsContact C-N 3.28Å; S2-S4 PolarHBondContact O-N 2.86Å; S4-E6 PolarHBondContact O-N 2.78Å | ||
| 5 | T | 59.8 | Low | 79 | Confident | 138 Ų | 138 | 78.7 Ų | 78.7 | 85% | 0.847 | 45% | 0.453 | S | S | * | . | trans | -68.4 | 78.7 | 165.3 | 39.5 | 0 | 0 | 0 | 0 | 105.8 | G3 K7 | G3-T5 PolarHBondContact O-N 3.04Å; T5-K7 PolarHBondContact O-N 3Å | ||
| 6 | E | 69.2 | Low | 80 | Confident | 118 Ų | 118 | 76.9 Ų | 76.9 | 55% | 0.551 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 117.1 | 173 | -85.7 | -167 | 175.9 | 0 | 0 | 107.3 | S4 S8 N36 | S4-E6 PolarHBondContact O-N 2.78Å; E6-S8 PolarHBondContact O-N 2.79Å; E6-N36 WeakPolarHBondContact CB-ND2 3.35Å; E6-N36 PolarHBondContact O-ND2 3.23Å |
| 7 | K | 83.8 | Confident | 80.8 | Confident | 194 Ų | 194 | 75.1 Ų | 75.1 | 84% | 0.843 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 127.4 | -176.6 | -175.8 | 179.1 | 177.5 | -178.6 | 0 | 108.4 | T5 R9 | T5-K7 PolarHBondContact O-N 3Å; K7-R9 PolarHBondContact O-N 3.41Å |
| 8 | S | 91.7 | Very high | 81.7 | Confident | 73 Ų | 73 | 71.5 Ų | 71.5 | 51% | 0.51 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 137.3 | 172.6 | -57.2 | 0 | 0 | 0 | 0 | 110.1 | E6 N36 | E6-S8 PolarHBondContact O-N 2.79Å; S8-N36 WeakPolarHBondContact CA-O 3.4Å; S8-N36 WeakPolarHBondContact CB-O 3.14Å |
| 9 | R | 96.1 | Very high | 82.4 | Confident | 71 Ų | 71 | 76.6 Ų | 76.6 | 27% | 0.268 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 144.2 | 176.5 | 66 | 178 | -176.2 | -176.7 | 0.4 | 111.1 | K7 V11 M32 N36 D37 I38 N119 | K7-R9 PolarHBondContact O-N 3.41Å; R9-V11 HydrophobicContact CG-CG2 4.42Å; R9-M32 PolarHBondContact NH2-O 3.23Å; R9-N36 PolarHBondContact N-O 3.46Å; R9-D37 WeakPolarHBondContact CD-OD1 3.33Å; R9-D37 WeakPolarHBondContact CG-OD1 3.46Å; R9-D37 IonicContact CZ-OD1 3.51Å; R9-D37 IonicContact CZ-OD2 3.84Å; R9-D37 IonicContact NE-OD1 2.71Å; R9-D37 PolarHBondContact NE-OD1 3.26Å; R9-D37 IonicContact NE-OD2 3.7Å; R9-D37 IonicContact NH2-OD1 3.39Å; R9-D37 PolarHBondContact NH2-OD1 3.39Å; R9-D37 IonicContact NH2-OD2 3.01Å; R9-D37 PolarHBondContact NH2-OD2 3.01Å; R9-D37 WeakPolarHBondContact O-CA 3.43Å; R9-I38 PolarHBondContact O-N 3.22Å; R9-N119 WeakPolarHBondContact CA-OD1 3.36Å; R9-N119 HydrophobicContact CB-CB 4.05Å; R9-N119 WeakPolarHBondContact CB-OD1 3.49Å |
| 10 | V | 98.5 | Very high | 83 | Confident | 22 Ų | 22 | 73.9 Ų | 73.9 | 13% | 0.133 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 117.4 | 177.2 | 177.6 | 0 | 0 | 0 | 0 | 108.4 | I38 K40 H116 A118 N119 L120 | V10-I38 WeakPolarHBondContact CA-O 3.42Å; V10-I38 HydrophobicContact CG2-CB 4.46Å; V10-K40 HydrophobicContact CG1-CD 4.45Å; V10-K40 HydrophobicContact CG1-CG 3.52Å; V10-H116 HydrophobicContact CG1-CB 4.43Å; V10-A118 HydrophobicContact CG1-CB 4.26Å; V10-N119 PolarHBondContact N-OD1 3.49Å; V10-N119 PolarHBondContact O-N 2.98Å; V10-L120 PolarHBondContact O-N 2.91Å |
| 11 | V | 98.7 | Very high | 83.7 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 115.5 | 177.5 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | R9 L13 Y28 D37 I38 V39 K40 L120 I122 | R9-V11 HydrophobicContact CG-CG2 4.42Å; V11-L13 HydrophobicContact CG1-CD1 4.39Å; V11-Y28 HydrophobicContact CG1-CD2 4.29Å; V11-Y28 HydrophobicContact CG1-CE2 4.26Å; V11-Y28 HydrophobicContact CG2-CE2 4.27Å; V11-D37 HydrophobicContact CG2-CB 4.4Å; V11-I38 PolarHBondContact N-O 2.77Å; V11-V39 HydrophobicContact CB-CG2 4.41Å; V11-V39 CarbonylContact O-C 3.56Å; V11-V39 WeakPolarHBondContact O-CA 3.48Å; V11-K40 PolarHBondContact O-N 3.19Å; V11-L120 HydrophobicContact CG1-CD2 4.4Å; V11-L120 HydrophobicContact CG2-CD2 4.49Å; V11-I122 HydrophobicContact CG1-CD1 3.68Å; V11-I122 HydrophobicContact CG1-CG1 4Å |
| 12 | L | 98.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 129.6 | 178.4 | -160.1 | 149.8 | 0 | 0 | 0 | 110 | P14 K40 V42 L109 I113 A118 L120 I121 I122 | L12-P14 HydrophobicContact CD2-CG 4Å; L12-K40 WeakPolarHBondContact CA-O 3.46Å; L12-K40 HydrophobicContact CG-CB 4.49Å; L12-V42 HydrophobicContact CD1-CG2 4.03Å; L12-V42 HydrophobicContact CD2-CB 4.14Å; L12-V42 HydrophobicContact CD2-CG2 3.8Å; L12-V42 HydrophobicContact CG-CG2 3.79Å; L12-L109 HydrophobicContact CD2-CD2 4.2Å; L12-I113 HydrophobicContact CD1-CG1 4.1Å; L12-A118 HydrophobicContact CB-CB 3.94Å; L12-A118 HydrophobicContact CD1-CB 4.13Å; L12-L120 PolarHBondContact N-O 2.71Å; L12-I121 HydrophobicContact CB-CB 4.45Å; L12-I121 HydrophobicContact CB-CG1 4.38Å; L12-I121 HydrophobicContact CD2-CD1 3.72Å; L12-I121 HydrophobicContact CD2-CG1 4.04Å; L12-I121 WeakPolarHBondContact O-CA 3.31Å; L12-I122 PolarHBondContact O-N 3.37Å |
| 13 | L | 98.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 101.2 | -178.4 | -92.1 | 152.1 | 0 | 0 | 0 | 109.4 | V11 A24 F25 Y28 V39 K40 F41 V42 I122 | V11-L13 HydrophobicContact CG1-CD1 4.39Å; L13-A24 HydrophobicContact CD2-CB 4.42Å; L13-F25 HydrophobicContact CD1-CD2 3.87Å; L13-F25 HydrophobicContact CD2-CB 4.43Å; L13-Y28 HydrophobicContact CD1-CD1 4.27Å; L13-Y28 HydrophobicContact CD1-CG 4.35Å; L13-V39 HydrophobicContact CD1-CG1 3.64Å; L13-K40 PolarHBondContact N-O 3.07Å; L13-F41 HydrophobicContact CB-CD1 3.81Å; L13-F41 HydrophobicContact CB-CE1 4.09Å; L13-F41 HydrophobicContact CD1-CE1 4.02Å; L13-F41 VanDerWaalsContact O-CA 3.32Å; L13-F41 WeakPolarHBondContact O-CA 3.46Å; L13-V42 PolarHBondContact O-N 3.22Å; L13-I122 HydrophobicContact CD2-CB 3.9Å; L13-I122 HydrophobicContact CD2-CG2 4.13Å; L13-I122 WeakPolarHBondContact CD2-O 3.03Å; L13-I122 HydrophobicContact CG-CB 4.26Å |
| 14 | P | 98.6 | Very high | 91.1 | Very high | 20 Ų | 20 | 56.9 Ų | 56.9 | 13% | 0.13 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 135.3 | 173.1 | -23 | 37.1 | 0 | 0 | 0 | 111.1 | L12 V42 L109 I121 I122 M123 | L12-P14 HydrophobicContact CD2-CG 4Å; P14-V42 CarbonylContact C-O 3.55Å; P14-V42 VanDerWaalsContact CA-O 3.3Å; P14-V42 WeakPolarHBondContact CA-O 3.36Å; P14-L109 HydrophobicContact CB-CD1 3.89Å; P14-L109 HydrophobicContact CB-CD2 3.95Å; P14-L109 HydrophobicContact CG-CD1 3.74Å; P14-L109 HydrophobicContact CG-CD2 3.78Å; P14-L109 HydrophobicContact CG-CG 4.41Å; P14-I121 HydrophobicContact CG-CD1 3.78Å; P14-I121 HydrophobicContact CG-CG1 4.09Å; P14-I122 WeakPolarHBondContact CD-O 3.49Å; P14-M123 HydrophobicContact CG-CB 4.16Å; P14-M123 HydrophobicContact CG-CE 3.8Å |
| 15 | I | 98.4 | Very high | 93.2 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | trans | -130.2 | 129.1 | -177.7 | 50.5 | 159.1 | 0 | 0 | 0 | 110.6 | F41 V42 N43 L80 Y84 | I15-F41 HydrophobicContact CD1-CB 3.85Å; I15-F41 HydrophobicContact CG1-CB 4.22Å; I15-F41 HydrophobicContact CG2-CD1 3.97Å; I15-V42 WeakPolarHBondContact CG1-O 3.37Å; I15-V42 PolarHBondContact N-O 3.27Å; I15-N43 HydrophobicContact CD1-CB 4.21Å; I15-N43 HydrophobicContact CG1-CB 4Å; I15-N43 WeakPolarHBondContact O-CA 2.96Å; I15-N43 PolarHBondContact O-ND2 3.45Å; I15-L80 HydrophobicContact CB-CD2 4.11Å; I15-L80 HydrophobicContact CD1-CD2 4.17Å; I15-L80 HydrophobicContact CD1-CG 4.06Å; I15-L80 HydrophobicContact CG1-CD2 4.31Å; I15-Y84 HydrophobicContact CB-CD2 4.17Å; I15-Y84 HydrophobicContact CB-CE2 3.91Å; I15-Y84 HydrophobicContact CD1-CD2 3.95Å; I15-Y84 HydrophobicContact CD1-CG 4.4Å; I15-Y84 HydrophobicContact CG2-CD1 3.88Å; I15-Y84 HydrophobicContact CG2-CD2 3.78Å; I15-Y84 HydrophobicContact CG2-CE1 3.66Å; I15-Y84 HydrophobicContact CG2-CE2 3.58Å; I15-Y84 HydrophobicContact CG2-CG 3.92Å | ||
| 16 | D | 95.4 | Very high | 95 | Very high | 50 Ų | 50 | 48.7 Ų | 48.7 | 27% | 0.267 | 25% | 0.245 | S | C | . | . | trans | -133.1 | 3.5 | -177.2 | 69.2 | -13.5 | 0 | 0 | 0 | 113.4 | S18 A21 G127 L128 | D16-S18 VanDerWaalsContact C-N 3.3Å; D16-S18 WeakPolarHBondContact OD1-CB 3.34Å; D16-S18 PolarHBondContact OD1-N 3.02Å; D16-S18 PolarHBondContact OD1-OG 3.15Å; D16-S18 PolarHBondContact OD2-OG 3.4Å; D16-A21 WeakPolarHBondContact OD1-CB 3.23Å; D16-G127 WeakPolarHBondContact OD2-CA 3.38Å; D16-L128 VanDerWaalsContact O-CD1 3.26Å; D16-L128 WeakPolarHBondContact O-CD1 3.5Å; D16-L128 WeakPolarHBondContact O-CG 3.49Å; D16-L128 PolarHBondContact OD2-N 3.15Å; D16-L128 VanDerWaalsContact OD2-N 3.15Å | ||
| 17 | G | 94.3 | Very high | 96.4 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 49% | 0.485 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 84.7 | 0.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L80 | G17-L80 VanDerWaalsContact N-CD2 3.31Š|
| 18 | S | 95.5 | Very high | 97.1 | Very high | 10 Ų | 10 | 38 Ų | 38 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -76.3 | 154.9 | 173.1 | 72.2 | 0 | 0 | 0 | 0 | 112.3 | D16 H20 A21 E22 | D16-S18 VanDerWaalsContact C-N 3.3Å; D16-S18 WeakPolarHBondContact OD1-CB 3.34Å; D16-S18 PolarHBondContact OD1-N 3.02Å; D16-S18 PolarHBondContact OD1-OG 3.15Å; D16-S18 PolarHBondContact OD2-OG 3.4Å; S18-H20 PolarHBondContact O-N 3.5Å; S18-H20 PolarHBondContact OG-N 3.15Å; S18-A21 PolarHBondContact O-N 3.26Å; S18-A21 PolarHBondContact OG-N 2.92Å; S18-A21 VanDerWaalsContact OG-N 3.14Å; S18-E22 PolarHBondContact O-N 3.36Å |
| 19 | E | 95 | Very high | 97.5 | Very high | 169 Ų | 169 | 35.5 Ų | 35.5 | 79% | 0.79 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -62.3 | -22.4 | 169.8 | -62.9 | -176.7 | 172.4 | 0 | 0 | 112.5 | E22 R23 | E19-E22 PolarHBondContact O-N 3.35Å; E19-R23 VanDerWaalsContact O-CB 3.28Å; E19-R23 WeakPolarHBondContact O-CB 3.38Å; E19-R23 PolarHBondContact O-N 3.42Å |
| 20 | H | 96 | Very high | 97.5 | Very high | 22 Ų | 22 | 37.4 Ų | 37.4 | 10% | 0.102 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.7 | -40.8 | 177.7 | -67.1 | -49 | 0 | 0 | 0 | 112.1 | S18 E22 R23 A24 R126 | S18-H20 PolarHBondContact O-N 3.5Å; S18-H20 PolarHBondContact OG-N 3.15Å; H20-E22 VanDerWaalsContact C-N 3.32Å; H20-R23 PolarHBondContact O-N 2.82Å; H20-A24 WeakPolarHBondContact O-CB 3.49Å; H20-A24 PolarHBondContact O-N 2.95Å; H20-R126 WeakPolarHBondContact CB-O 3.41Å; H20-R126 PolarHBondContact CE1-NH2 3.09Å; H20-R126 PolarHBondContact NE2-NE 3.17Å; H20-R126 PolarHBondContact NE2-NH2 2.88Å |
| 21 | A | 97.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D16 S18 R23 A24 F25 | D16-A21 WeakPolarHBondContact OD1-CB 3.23Å; S18-A21 PolarHBondContact O-N 3.26Å; S18-A21 PolarHBondContact OG-N 2.92Å; S18-A21 VanDerWaalsContact OG-N 3.14Å; A21-R23 PolarHBondContact O-N 3.39Å; A21-A24 WeakPolarHBondContact O-CB 3.38Å; A21-A24 PolarHBondContact O-N 2.89Å; A21-F25 PolarHBondContact O-N 2.91Å |
| 22 | E | 97.6 | Very high | 97.4 | Very high | 62 Ų | 62 | 43.7 Ų | 43.7 | 29% | 0.29 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.7 | -42.8 | 177.5 | -172.5 | 132.8 | -159.1 | 0 | 0 | 111.2 | S18 E19 H20 A24 F25 Q26 K83 Y84 | S18-E22 PolarHBondContact O-N 3.36Å; E19-E22 PolarHBondContact O-N 3.35Å; H20-E22 VanDerWaalsContact C-N 3.32Å; E22-A24 VanDerWaalsContact C-N 3.32Å; E22-A24 PolarHBondContact O-N 3.08Å; E22-F25 PolarHBondContact O-N 2.96Å; E22-Q26 WeakPolarHBondContact O-CG 3.22Å; E22-Q26 PolarHBondContact O-N 3.2Å; E22-K83 IonicContact OE1-NZ 3.38Å; E22-K83 IonicContact OE2-NZ 3.6Å; E22-K83 PolarHBondContact OE2-NZ 2.9Å; E22-Y84 WeakPolarHBondContact CA-OH 3.44Å; E22-Y84 PolarHBondContact N-OH 3.21Å; E22-Y84 VanDerWaalsContact N-OH 3.12Å |
| 23 | R | 97.3 | Very high | 97.2 | Very high | 86 Ų | 86 | 47.6 Ų | 47.6 | 33% | 0.325 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.6 | -38.1 | 173.6 | -179.6 | 173.8 | 169.4 | 77.4 | -15.2 | 112.5 | E19 H20 A21 F25 Q26 W27 V154 P155 P156 | E19-R23 VanDerWaalsContact O-CB 3.28Å; E19-R23 WeakPolarHBondContact O-CB 3.38Å; E19-R23 PolarHBondContact O-N 3.42Å; H20-R23 PolarHBondContact O-N 2.82Å; A21-R23 PolarHBondContact O-N 3.39Å; R23-F25 VanDerWaalsContact C-N 3.35Å; R23-Q26 PolarHBondContact O-N 3.45Å; R23-W27 WeakPolarHBondContact O-CB 3.24Å; R23-W27 PolarHBondContact O-N 2.9Å; R23-V154 HydrophobicContact CG-CG1 3.91Å; R23-P155 WeakPolarHBondContact CD-O 3.34Å; R23-P155 PolarHBondContact NE-O 2.77Å; R23-P156 PolarHBondContact NE-O 3.07Å; R23-P156 PolarHBondContact NH2-O 2.88Å; R23-P156 VanDerWaalsContact NH2-O 3.07Å |
| 24 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L13 H20 A21 E22 W27 Y28 I122 V154 | L13-A24 HydrophobicContact CD2-CB 4.42Å; H20-A24 WeakPolarHBondContact O-CB 3.49Å; H20-A24 PolarHBondContact O-N 2.95Å; A21-A24 WeakPolarHBondContact O-CB 3.38Å; A21-A24 PolarHBondContact O-N 2.89Å; E22-A24 VanDerWaalsContact C-N 3.32Å; E22-A24 PolarHBondContact O-N 3.08Å; A24-W27 PolarHBondContact O-N 3.25Å; A24-Y28 PolarHBondContact O-N 2.94Å; A24-I122 HydrophobicContact CB-CG2 4.36Å; A24-V154 HydrophobicContact CB-CB 4.15Å; A24-V154 HydrophobicContact CB-CG2 4.07Å |
| 25 | F | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 174.3 | -178.8 | -132 | 0 | 0 | 0 | 112.3 | L13 A21 E22 R23 W27 Y28 L29 F41 Y84 E87 A88 I93 | L13-F25 HydrophobicContact CD1-CD2 3.87Å; L13-F25 HydrophobicContact CD2-CB 4.43Å; A21-F25 PolarHBondContact O-N 2.91Å; E22-F25 PolarHBondContact O-N 2.96Å; R23-F25 VanDerWaalsContact C-N 3.35Å; F25-W27 VanDerWaalsContact C-N 3.32Å; F25-W27 PolarHBondContact O-N 3.22Å; F25-Y28 AromaticContact CD2-CD1 3.97Å; F25-Y28 HydrophobicContact CD2-CD1 3.97Å; F25-Y28 AromaticContact CE2-CD1 3.93Å; F25-Y28 HydrophobicContact CE2-CD1 3.93Å; F25-Y28 HydrophobicContact CE2-CE1 4.27Å; F25-Y28 WeakPolarHBondContact O-CB 3.38Å; F25-Y28 PolarHBondContact O-N 3.5Å; F25-L29 HydrophobicContact CD1-CD1 4.32Å; F25-L29 HydrophobicContact CD2-CG 4.42Å; F25-L29 HydrophobicContact CE1-CD1 3.96Å; F25-L29 HydrophobicContact CE1-CG 4.5Å; F25-L29 HydrophobicContact CE2-CD1 4.42Å; F25-L29 HydrophobicContact CE2-CD2 4Å; F25-L29 HydrophobicContact CE2-CG 4.08Å; F25-L29 HydrophobicContact CZ-CD1 4Å; F25-L29 HydrophobicContact CZ-CD2 3.97Å; F25-L29 HydrophobicContact CZ-CG 4.12Å; F25-L29 WeakPolarHBondContact O-CG 3.42Å; F25-L29 PolarHBondContact O-N 3.25Å; F25-F41 AromaticContact CD2-CE1 3.82Å; F25-F41 HydrophobicContact CD2-CE1 3.82Å; F25-F41 HydrophobicContact CD2-CZ 4.01Å; F25-F41 HydrophobicContact CE1-CZ 4.41Å; F25-F41 AromaticContact CE2-CE1 3.95Å; F25-F41 HydrophobicContact CE2-CE1 3.95Å; F25-F41 AromaticContact CE2-CZ 3.64Å; F25-F41 HydrophobicContact CE2-CZ 3.64Å; F25-F41 HydrophobicContact CG-CE1 4.21Å; F25-F41 HydrophobicContact CZ-CE1 4.43Å; F25-F41 AromaticContact CZ-CZ 3.86Å; F25-F41 HydrophobicContact CZ-CZ 3.86Å; F25-Y84 HydrophobicContact CB-CD1 4.41Å; F25-Y84 HydrophobicContact CB-CE1 3.87Å; F25-Y84 AromaticContact CD1-CD1 3.88Å; F25-Y84 HydrophobicContact CD1-CD1 3.88Å; F25-Y84 AromaticContact CD1-CE1 3.96Å; F25-Y84 HydrophobicContact CD1-CE1 3.96Å; F25-Y84 HydrophobicContact CE1-CD1 4.41Å; F25-Y84 HydrophobicContact CG-CD1 4.17Å; F25-Y84 HydrophobicContact CG-CE1 4.1Å; F25-E87 HydrophobicContact CD1-CG 4.38Å; F25-E87 HydrophobicContact CE1-CB 3.98Å; F25-E87 HydrophobicContact CE1-CG 3.66Å; F25-A88 HydrophobicContact CZ-CB 3.98Å; F25-I93 HydrophobicContact CE2-CD1 4.35Å; F25-I93 HydrophobicContact CZ-CD1 4.36Å |
| 26 | Q | 98.2 | Very high | 96.6 | Very high | 66 Ų | 66 | 55 Ų | 55 | 31% | 0.308 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.2 | -37 | 175.3 | -67.9 | -59.6 | -38.8 | 0 | 0 | 112.6 | E22 R23 Y28 L29 T30 | E22-Q26 WeakPolarHBondContact O-CG 3.22Å; E22-Q26 PolarHBondContact O-N 3.2Å; R23-Q26 PolarHBondContact O-N 3.45Å; Q26-Y28 VanDerWaalsContact C-N 3.34Å; Q26-L29 PolarHBondContact O-N 3.36Å; Q26-T30 PolarHBondContact O-N 3.35Å; Q26-T30 PolarHBondContact O-OG1 2.76Å |
| 27 | W | 98.5 | Very high | 96.6 | Very high | 86 Ų | 86 | 52.8 Ų | 52.8 | 33% | 0.326 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 173.9 | -177.5 | 92.5 | 0 | 0 | 0 | 111.3 | R23 A24 F25 T30 N31 M32 I122 V152 V154 | R23-W27 WeakPolarHBondContact O-CB 3.24Å; R23-W27 PolarHBondContact O-N 2.9Å; A24-W27 PolarHBondContact O-N 3.25Å; F25-W27 VanDerWaalsContact C-N 3.32Å; F25-W27 PolarHBondContact O-N 3.22Å; W27-T30 PolarHBondContact O-N 3.28Å; W27-N31 VanDerWaalsContact CD1-ND2 3.33Å; W27-N31 HydrophobicContact CD2-CB 4.33Å; W27-N31 HydrophobicContact CH2-CB 4.4Å; W27-N31 HydrophobicContact CZ2-CB 4.03Å; W27-N31 PolarHBondContact NE1-ND2 2.85Å; W27-N31 WeakPolarHBondContact O-CB 3.44Å; W27-N31 PolarHBondContact O-N 2.92Å; W27-N31 PolarHBondContact O-ND2 2.85Å; W27-M32 HydrophobicContact CH2-CG 3.54Å; W27-M32 HydrophobicContact CZ3-CB 4.19Å; W27-M32 HydrophobicContact CZ3-CG 3.53Å; W27-I122 HydrophobicContact CE3-CG2 4.17Å; W27-I122 HydrophobicContact CZ3-CD1 4.25Å; W27-I122 HydrophobicContact CZ3-CG2 4.49Å; W27-V152 HydrophobicContact CE3-CG1 4.07Å; W27-V152 HydrophobicContact CH2-CG1 3.81Å; W27-V152 HydrophobicContact CH2-CG2 4.44Å; W27-V152 HydrophobicContact CZ2-CG1 4.36Å; W27-V152 HydrophobicContact CZ3-CB 4.49Å; W27-V152 HydrophobicContact CZ3-CG1 3.65Å; W27-V152 HydrophobicContact CZ3-CG2 4.44Å; W27-V154 HydrophobicContact CB-CG1 4.01Å; W27-V154 HydrophobicContact CB-CG2 4Å; W27-V154 HydrophobicContact CD2-CG2 4.1Å; W27-V154 HydrophobicContact CE3-CG2 4.27Å; W27-V154 HydrophobicContact CG-CG1 4.26Å; W27-V154 HydrophobicContact CG-CG2 3.97Å |
| 28 | Y | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.1 | -48.3 | 173.7 | 161.6 | -101.5 | 0 | 0 | 0 | 111.6 | V11 L13 A24 F25 Q26 T30 N31 M32 K33 D37 V39 I93 I122 | V11-Y28 HydrophobicContact CG1-CD2 4.29Å; V11-Y28 HydrophobicContact CG1-CE2 4.26Å; V11-Y28 HydrophobicContact CG2-CE2 4.27Å; L13-Y28 HydrophobicContact CD1-CD1 4.27Å; L13-Y28 HydrophobicContact CD1-CG 4.35Å; A24-Y28 PolarHBondContact O-N 2.94Å; F25-Y28 AromaticContact CD2-CD1 3.97Å; F25-Y28 HydrophobicContact CD2-CD1 3.97Å; F25-Y28 AromaticContact CE2-CD1 3.93Å; F25-Y28 HydrophobicContact CE2-CD1 3.93Å; F25-Y28 HydrophobicContact CE2-CE1 4.27Å; F25-Y28 WeakPolarHBondContact O-CB 3.38Å; F25-Y28 PolarHBondContact O-N 3.5Å; Q26-Y28 VanDerWaalsContact C-N 3.34Å; Y28-T30 VanDerWaalsContact C-N 3.3Å; Y28-T30 PolarHBondContact O-N 2.95Å; Y28-N31 PolarHBondContact O-N 3.34Å; Y28-M32 HydrophobicContact CD2-CB 4.02Å; Y28-M32 PolarHBondContact O-N 3.43Å; Y28-K33 HydrophobicContact CE1-CB 4.34Å; Y28-K33 HydrophobicContact CE1-CG 4.5Å; Y28-K33 HydrophobicContact CE2-CB 4.5Å; Y28-K33 PolarHBondContact O-N 2.98Å; Y28-D37 WeakPolarHBondContact CE2-OD2 3.42Å; Y28-D37 VanDerWaalsContact OH-CB 3.23Å; Y28-D37 WeakPolarHBondContact OH-CB 3.35Å; Y28-D37 PolarHBondContact OH-OD2 2.77Å; Y28-D37 VanDerWaalsContact OH-OD2 3.08Å; Y28-V39 HydrophobicContact CE1-CG2 3.74Å; Y28-V39 WeakPolarHBondContact OH-CG2 3.4Å; Y28-I93 HydrophobicContact CE1-CD1 4.01Å; Y28-I122 HydrophobicContact CD2-CD1 3.63Å; Y28-I122 HydrophobicContact CG-CD1 4.09Å |
| 29 | L | 98.2 | Very high | 97 | Very high | 22 Ų | 22 | 52.1 Ų | 52.1 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.3 | -44.1 | 178.7 | -68.7 | 175.9 | 0 | 0 | 0 | 112.4 | F25 Q26 K33 Y91 I93 | F25-L29 HydrophobicContact CD1-CD1 4.32Å; F25-L29 HydrophobicContact CD2-CG 4.42Å; F25-L29 HydrophobicContact CE1-CD1 3.96Å; F25-L29 HydrophobicContact CE1-CG 4.5Å; F25-L29 HydrophobicContact CE2-CD1 4.42Å; F25-L29 HydrophobicContact CE2-CD2 4Å; F25-L29 HydrophobicContact CE2-CG 4.08Å; F25-L29 HydrophobicContact CZ-CD1 4Å; F25-L29 HydrophobicContact CZ-CD2 3.97Å; F25-L29 HydrophobicContact CZ-CG 4.12Å; F25-L29 WeakPolarHBondContact O-CG 3.42Å; F25-L29 PolarHBondContact O-N 3.25Å; Q26-L29 PolarHBondContact O-N 3.36Å; L29-K33 HydrophobicContact CD2-CD 4.31Å; L29-Y91 HydrophobicContact CD1-CD2 3.94Å; L29-Y91 HydrophobicContact CD1-CE1 4.46Å; L29-Y91 HydrophobicContact CD1-CE2 3.63Å; L29-Y91 HydrophobicContact CD1-CG 4.49Å; L29-Y91 HydrophobicContact CD2-CD1 4.42Å; L29-Y91 HydrophobicContact CD2-CD2 3.97Å; L29-Y91 HydrophobicContact CD2-CE2 4.49Å; L29-Y91 HydrophobicContact CD2-CG 3.94Å; L29-I93 HydrophobicContact CD2-CD1 3.32Å |
| 30 | T | 97.7 | Very high | 97.2 | Very high | 110 Ų | 110 | 45.1 Ų | 45.1 | 68% | 0.675 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -78.5 | -33.8 | -175.1 | -61 | 0 | 0 | 0 | 0 | 113.5 | Q26 W27 Y28 | Q26-T30 PolarHBondContact O-N 3.35Å; Q26-T30 PolarHBondContact O-OG1 2.76Å; W27-T30 PolarHBondContact O-N 3.28Å; Y28-T30 VanDerWaalsContact C-N 3.3Å; Y28-T30 PolarHBondContact O-N 2.95Å |
| 31 | N | 97.7 | Very high | 97.3 | Very high | 93 Ų | 93 | 44.1 Ų | 44.1 | 50% | 0.497 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -117.2 | -23.5 | -164.7 | -58.7 | -84.6 | 0 | 0 | 0 | 114.7 | W27 Y28 | W27-N31 VanDerWaalsContact CD1-ND2 3.33Å; W27-N31 HydrophobicContact CD2-CB 4.33Å; W27-N31 HydrophobicContact CH2-CB 4.4Å; W27-N31 HydrophobicContact CZ2-CB 4.03Å; W27-N31 PolarHBondContact NE1-ND2 2.85Å; W27-N31 WeakPolarHBondContact O-CB 3.44Å; W27-N31 PolarHBondContact O-N 2.92Å; W27-N31 PolarHBondContact O-ND2 2.85Å; Y28-N31 PolarHBondContact O-N 3.34Å |
| 32 | M | 96.1 | Very high | 97.4 | Very high | 61 Ų | 61 | 43.9 Ų | 43.9 | 30% | 0.3 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134.4 | -15.8 | -165.5 | -80.5 | -72.5 | -80.4 | 0 | 0 | 115 | R9 W27 Y28 S34 L120 | R9-M32 PolarHBondContact NH2-O 3.23Å; W27-M32 HydrophobicContact CH2-CG 3.54Å; W27-M32 HydrophobicContact CZ3-CB 4.19Å; W27-M32 HydrophobicContact CZ3-CG 3.53Å; Y28-M32 HydrophobicContact CD2-CB 4.02Å; Y28-M32 PolarHBondContact O-N 3.43Å; M32-S34 PolarHBondContact O-N 3.36Å; M32-L120 HydrophobicContact CE-CD2 3.67Å |
| 33 | K | 95.8 | Very high | 97.4 | Very high | 82 Ų | 82 | 41.6 Ų | 41.6 | 36% | 0.357 | 22% | 0.215 | S | C | . | . | trans | -51.2 | 124.5 | -177.7 | 179.3 | -169.3 | 179.6 | -65 | 0 | 111.6 | Y28 L29 Y91 I93 | Y28-K33 HydrophobicContact CE1-CB 4.34Å; Y28-K33 HydrophobicContact CE1-CG 4.5Å; Y28-K33 HydrophobicContact CE2-CB 4.5Å; Y28-K33 PolarHBondContact O-N 2.98Å; L29-K33 HydrophobicContact CD2-CD 4.31Å; K33-Y91 WeakPolarHBondContact CE-O 3.41Å; K33-Y91 PolarHBondContact NZ-O 2.85Å; K33-I93 HydrophobicContact CD-CD1 4.3Å; K33-I93 HydrophobicContact CD-CG1 4.34Å; K33-I93 HydrophobicContact CG-CG1 4.49Å | ||
| 34 | S | 95.2 | Very high | 97.4 | Very high | 26 Ų | 26 | 38.7 Ų | 38.7 | 18% | 0.182 | 21% | 0.206 | C | C | . | . | trans | -116.3 | 155 | 167.3 | 177 | 0 | 0 | 0 | 0 | 111.3 | M32 N36 D37 | M32-S34 PolarHBondContact O-N 3.36Å; S34-N36 PolarHBondContact O-N 3.3Å; S34-N36 PolarHBondContact OG-N 2.8Å; S34-D37 PolarHBondContact N-OD2 2.87Å; S34-D37 PolarHBondContact O-N 2.74Å | ||
| 35 | S | 93.1 | Very high | 97.3 | Very high | 103 Ų | 103 | 39.2 Ų | 39.2 | 72% | 0.72 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -20.7 | 173.5 | 55.9 | 0 | 0 | 0 | 0 | 113 | ||
| 36 | N | 93.5 | Very high | 96.9 | Very high | 55 Ų | 55 | 44.7 Ų | 44.7 | 29% | 0.294 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 4.4 | -179 | -62.5 | -31.3 | 0 | 0 | 0 | 113.3 | E6 S8 R9 S34 | E6-N36 WeakPolarHBondContact CB-ND2 3.35Å; E6-N36 PolarHBondContact O-ND2 3.23Å; S8-N36 WeakPolarHBondContact CA-O 3.4Å; S8-N36 WeakPolarHBondContact CB-O 3.14Å; R9-N36 PolarHBondContact N-O 3.46Å; S34-N36 PolarHBondContact O-N 3.3Å; S34-N36 PolarHBondContact OG-N 2.8Å |
| 37 | D | 97.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 137.4 | 179.9 | -71.2 | -17.4 | 0 | 0 | 0 | 111.3 | R9 V11 Y28 S34 | R9-D37 WeakPolarHBondContact CD-OD1 3.33Å; R9-D37 WeakPolarHBondContact CG-OD1 3.46Å; R9-D37 IonicContact CZ-OD1 3.51Å; R9-D37 IonicContact CZ-OD2 3.84Å; R9-D37 IonicContact NE-OD1 2.71Å; R9-D37 PolarHBondContact NE-OD1 3.26Å; R9-D37 IonicContact NE-OD2 3.7Å; R9-D37 IonicContact NH2-OD1 3.39Å; R9-D37 PolarHBondContact NH2-OD1 3.39Å; R9-D37 IonicContact NH2-OD2 3.01Å; R9-D37 PolarHBondContact NH2-OD2 3.01Å; R9-D37 WeakPolarHBondContact O-CA 3.43Å; V11-D37 HydrophobicContact CG2-CB 4.4Å; Y28-D37 WeakPolarHBondContact CE2-OD2 3.42Å; Y28-D37 VanDerWaalsContact OH-CB 3.23Å; Y28-D37 WeakPolarHBondContact OH-CB 3.35Å; Y28-D37 PolarHBondContact OH-OD2 2.77Å; Y28-D37 VanDerWaalsContact OH-OD2 3.08Å; S34-D37 PolarHBondContact N-OD2 2.87Å; S34-D37 PolarHBondContact O-N 2.74Å |
| 38 | I | 98 | Very high | 95.1 | Very high | 43 Ų | 43 | 41.9 Ų | 41.9 | 22% | 0.221 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 107.6 | 164.8 | -54.1 | 176.2 | 0 | 0 | 0 | 107.3 | R9 V10 V11 K40 N94 | R9-I38 PolarHBondContact O-N 3.22Å; V10-I38 WeakPolarHBondContact CA-O 3.42Å; V10-I38 HydrophobicContact CG2-CB 4.46Å; V11-I38 PolarHBondContact N-O 2.77Å; I38-K40 HydrophobicContact CG2-CD 4.4Å; I38-N94 WeakPolarHBondContact CA-O 3.37Å |
| 39 | V | 98.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 127.5 | -179.3 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | V11 L13 Y28 F41 I93 N94 C95 Q96 | V11-V39 HydrophobicContact CB-CG2 4.41Å; V11-V39 CarbonylContact O-C 3.56Å; V11-V39 WeakPolarHBondContact O-CA 3.48Å; L13-V39 HydrophobicContact CD1-CG1 3.64Å; Y28-V39 HydrophobicContact CE1-CG2 3.74Å; Y28-V39 WeakPolarHBondContact OH-CG2 3.4Å; V39-F41 HydrophobicContact CG1-CD1 4.15Å; V39-F41 HydrophobicContact CG1-CD2 4.17Å; V39-F41 HydrophobicContact CG1-CE1 3.75Å; V39-F41 HydrophobicContact CG1-CE2 3.78Å; V39-F41 HydrophobicContact CG1-CG 4.35Å; V39-F41 HydrophobicContact CG1-CZ 3.55Å; V39-I93 HydrophobicContact CB-CG2 3.9Å; V39-I93 HydrophobicContact CG2-CG2 3.51Å; V39-N94 PolarHBondContact N-O 3.16Å; V39-C95 HydrophobicContact CB-CB 4.11Å; V39-C95 CarbonylContact O-C 3.52Å; V39-C95 WeakPolarHBondContact O-CA 3.4Å; V39-Q96 PolarHBondContact O-N 3.48Å |
| 40 | K | 98.8 | Very high | 91.7 | Very high | 22 Ų | 22 | 50.3 Ų | 50.3 | 10% | 0.096 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 104.3 | 175.2 | -53.7 | -69.9 | -178.1 | -169.7 | 0 | 108.4 | V10 V11 L12 L13 I38 Q96 F98 H116 | V10-K40 HydrophobicContact CG1-CD 4.45Å; V10-K40 HydrophobicContact CG1-CG 3.52Å; V11-K40 PolarHBondContact O-N 3.19Å; L12-K40 WeakPolarHBondContact CA-O 3.46Å; L12-K40 HydrophobicContact CG-CB 4.49Å; L13-K40 PolarHBondContact N-O 3.07Å; I38-K40 HydrophobicContact CG2-CD 4.4Å; K40-Q96 WeakPolarHBondContact CA-O 3.47Å; K40-Q96 HydrophobicContact CD-CB 4.3Å; K40-F98 HydrophobicContact CB-CD2 4.48Å; K40-F98 HydrophobicContact CB-CE2 4.29Å; K40-F98 HydrophobicContact CD-CE2 3.57Å; K40-F98 HydrophobicContact CD-CZ 4.16Å; K40-F98 HydrophobicContact CG-CE2 4.45Å; K40-H116 HydrophobicContact CG-CB 4.45Å |
| 41 | F | 98.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 128.4 | 171.5 | -61.4 | -70.5 | 0 | 0 | 0 | 109.4 | L13 I15 F25 V39 Y84 A88 C95 Q96 A97 F98 | L13-F41 HydrophobicContact CB-CD1 3.81Å; L13-F41 HydrophobicContact CB-CE1 4.09Å; L13-F41 HydrophobicContact CD1-CE1 4.02Å; L13-F41 VanDerWaalsContact O-CA 3.32Å; L13-F41 WeakPolarHBondContact O-CA 3.46Å; I15-F41 HydrophobicContact CD1-CB 3.85Å; I15-F41 HydrophobicContact CG1-CB 4.22Å; I15-F41 HydrophobicContact CG2-CD1 3.97Å; F25-F41 AromaticContact CD2-CE1 3.82Å; F25-F41 HydrophobicContact CD2-CE1 3.82Å; F25-F41 HydrophobicContact CD2-CZ 4.01Å; F25-F41 HydrophobicContact CE1-CZ 4.41Å; F25-F41 AromaticContact CE2-CE1 3.95Å; F25-F41 HydrophobicContact CE2-CE1 3.95Å; F25-F41 AromaticContact CE2-CZ 3.64Å; F25-F41 HydrophobicContact CE2-CZ 3.64Å; F25-F41 HydrophobicContact CG-CE1 4.21Å; F25-F41 HydrophobicContact CZ-CE1 4.43Å; F25-F41 AromaticContact CZ-CZ 3.86Å; F25-F41 HydrophobicContact CZ-CZ 3.86Å; V39-F41 HydrophobicContact CG1-CD1 4.15Å; V39-F41 HydrophobicContact CG1-CD2 4.17Å; V39-F41 HydrophobicContact CG1-CE1 3.75Å; V39-F41 HydrophobicContact CG1-CE2 3.78Å; V39-F41 HydrophobicContact CG1-CG 4.35Å; V39-F41 HydrophobicContact CG1-CZ 3.55Å; F41-Y84 AromaticContact CD1-CD1 3.79Å; F41-Y84 HydrophobicContact CD1-CD1 3.79Å; F41-Y84 HydrophobicContact CD1-CG 4.05Å; F41-Y84 AromaticContact CE1-CD1 3.51Å; F41-Y84 HydrophobicContact CE1-CD1 3.51Å; F41-Y84 HydrophobicContact CE1-CE1 4.39Å; F41-Y84 HydrophobicContact CE1-CG 4.11Å; F41-Y84 HydrophobicContact CG-CG 4.42Å; F41-Y84 HydrophobicContact CZ-CD1 4.1Å; F41-A88 HydrophobicContact CE2-CB 3.87Å; F41-A88 HydrophobicContact CZ-CB 4.02Å; F41-C95 HydrophobicContact CD2-CB 4.35Å; F41-C95 HydrophobicContact CE2-CB 3.88Å; F41-Q96 PolarHBondContact N-O 2.93Å; F41-A97 HydrophobicContact CB-CB 4.13Å; F41-A97 CarbonylContact O-C 3.58Å; F41-A97 VanDerWaalsContact O-CA 3.3Å; F41-A97 WeakPolarHBondContact O-CA 3.49Å; F41-F98 PolarHBondContact O-N 2.87Å |
| 42 | V | 98.8 | Very high | 87.6 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 115.8 | -176.2 | -177.5 | 0 | 0 | 0 | 0 | 110 | L12 L13 P14 I15 I44 L109 S112 | L12-V42 HydrophobicContact CD1-CG2 4.03Å; L12-V42 HydrophobicContact CD2-CB 4.14Å; L12-V42 HydrophobicContact CD2-CG2 3.8Å; L12-V42 HydrophobicContact CG-CG2 3.79Å; L13-V42 PolarHBondContact O-N 3.22Å; P14-V42 CarbonylContact C-O 3.55Å; P14-V42 VanDerWaalsContact CA-O 3.3Å; P14-V42 WeakPolarHBondContact CA-O 3.36Å; I15-V42 WeakPolarHBondContact CG1-O 3.37Å; I15-V42 PolarHBondContact N-O 3.27Å; V42-I44 HydrophobicContact CG1-CD1 3.82Å; V42-L109 HydrophobicContact CB-CD2 4.15Å; V42-L109 HydrophobicContact CG1-CD2 3.82Å; V42-S112 WeakPolarHBondContact CG2-OG 3.5Å |
| 43 | N | 98.5 | Very high | 85.8 | Confident | 13 Ų | 13 | 49.6 Ų | 49.6 | 7% | 0.07 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 130.4 | 171 | 178.4 | -121 | 0 | 0 | 0 | 109.6 | I15 V45 G77 F98 L99 H100 | I15-N43 HydrophobicContact CD1-CB 4.21Å; I15-N43 HydrophobicContact CG1-CB 4Å; I15-N43 WeakPolarHBondContact O-CA 2.96Å; I15-N43 PolarHBondContact O-ND2 3.45Å; N43-V45 VanDerWaalsContact OD1-CG2 3.32Å; N43-V45 WeakPolarHBondContact OD1-CG2 3.45Å; N43-G77 WeakPolarHBondContact OD1-CA 3.49Å; N43-F98 PolarHBondContact N-O 2.81Å; N43-L99 WeakPolarHBondContact O-CA 3.41Å; N43-H100 PolarHBondContact O-N 2.96Å |
| 44 | I | 97.8 | Very high | 83.7 | Confident | 26 Ų | 26 | 53 Ų | 53 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 122.9 | 170 | -46.8 | -58.3 | 0 | 0 | 0 | 108.3 | V42 H100 D102 P105 A108 L109 | V42-I44 HydrophobicContact CG1-CD1 3.82Å; I44-H100 CarbonylContact C-O 3.55Å; I44-H100 WeakPolarHBondContact CA-O 3.43Å; I44-H100 HydrophobicContact CD1-CB 3.82Å; I44-D102 HydrophobicContact CG2-CB 4.15Å; I44-P105 HydrophobicContact CB-CB 4.2Å; I44-P105 HydrophobicContact CG1-CB 4.37Å; I44-P105 HydrophobicContact CG2-CB 4.13Å; I44-P105 HydrophobicContact CG2-CG 4.22Å; I44-A108 HydrophobicContact CD1-CB 3.76Å; I44-A108 HydrophobicContact CG1-CB 4.26Å; I44-A108 HydrophobicContact CG2-CB 4.27Å; I44-L109 HydrophobicContact CD1-CD2 4.29Å; I44-L109 HydrophobicContact CG1-CD2 4.22Å; I44-L109 HydrophobicContact CG1-CG 4.24Å |
| 45 | V | 95.4 | Very high | 81.9 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 6% | 0.061 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 113.1 | 173.3 | 177.9 | 0 | 0 | 0 | 0 | 107.8 | N43 I74 L99 H100 V101 D102 | N43-V45 VanDerWaalsContact OD1-CG2 3.32Å; N43-V45 WeakPolarHBondContact OD1-CG2 3.45Å; V45-I74 HydrophobicContact CG1-CG1 4.43Å; V45-L99 HydrophobicContact CB-CD2 4.48Å; V45-L99 HydrophobicContact CG2-CD1 3.93Å; V45-L99 HydrophobicContact CG2-CD2 3.96Å; V45-L99 HydrophobicContact CG2-CG 3.91Å; V45-H100 PolarHBondContact N-O 2.91Å; V45-V101 HydrophobicContact CB-CG2 4.38Å; V45-V101 VanDerWaalsContact O-CA 3.29Å; V45-V101 WeakPolarHBondContact O-CA 3.2Å; V45-D102 PolarHBondContact O-N 3.01Å; V45-D102 VanDerWaalsContact O-N 3.13Å |
| 46 | E | 91.2 | Very high | 80.2 | Confident | 117 Ų | 117 | 56.5 Ų | 56.5 | 55% | 0.547 | 33% | 0.333 | S | S | . | . | trans | -75.5 | 128.8 | 175.5 | -67.8 | 177.8 | -99 | 0 | 0 | 110 | D102 P105 | E46-D102 WeakPolarHBondContact CA-O 3.32Å; E46-P105 VanDerWaalsContact CD-CG 3.46Å; E46-P105 HydrophobicContact CG-CG 3.56Å | ||
| 47 | P | 84.5 | Confident | 78.4 | Confident | 26 Ų | 26 | 61.2 Ų | 61.2 | 17% | 0.169 | 36% | 0.364 | C | S | . | . | trans | -67.4 | 137.9 | 176 | 27.5 | -33.6 | 0 | 0 | 0 | 111.4 | Y49 M70 V101 D102 N103 | P47-Y49 HydrophobicContact CB-CE2 4.1Å; P47-Y49 HydrophobicContact CG-CD2 4.41Å; P47-Y49 HydrophobicContact CG-CE2 3.61Å; P47-Y49 PolarHBondContact O-N 3.24Å; P47-M70 VanDerWaalsContact CA-SD 3.53Å; P47-M70 HydrophobicContact CB-CE 3.88Å; P47-M70 HydrophobicContact CB-SD 4.07Å; P47-V101 HydrophobicContact CB-CG1 4.37Å; P47-D102 WeakPolarHBondContact CD-O 3.41Å; P47-N103 HydrophobicContact CG-CB 4.01Å | ||
| 48 | V | 74 | Confident | 76.5 | Confident | 66 Ų | 66 | 68 Ų | 68 | 40% | 0.4 | 40% | 0.397 | S | S | . | . | trans | -83.9 | 105.9 | 174.2 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | I69 M70 | V48-I69 HydrophobicContact CB-CG2 4.22Å; V48-I69 HydrophobicContact CG1-CG2 4.47Å; V48-I69 HydrophobicContact CG2-CG2 3.71Å; V48-M70 HydrophobicContact CB-SD 4.4Å; V48-M70 HydrophobicContact CG2-SD 4.5Å; V48-M70 PolarHBondContact N-SD 3.15Å | ||
| 49 | Y | 67.7 | Low | 74.9 | Confident | 163 Ų | 163 | 74.9 Ų | 74.9 | 64% | 0.639 | 43% | 0.428 | S | S | * | . | trans | -92.6 | 127.3 | 166.9 | -62.9 | -72.4 | 0 | 0 | 0 | 109.6 | P47 T51 N103 | P47-Y49 HydrophobicContact CB-CE2 4.1Å; P47-Y49 HydrophobicContact CG-CD2 4.41Å; P47-Y49 HydrophobicContact CG-CE2 3.61Å; P47-Y49 PolarHBondContact O-N 3.24Å; Y49-T51 PolarHBondContact O-N 2.9Å; Y49-T51 VanDerWaalsContact O-N 3.17Å; Y49-N103 HydrophobicContact CE2-CB 4.45Å | ||
| 50 | A | 58 | Low | 73.4 | Confident | 37 Ų | 37 | 78.9 Ų | 78.9 | 31% | 0.306 | 45% | 0.453 | S | S | . | . | trans | -75.3 | 97 | 158.4 | 0 | 0 | 0 | 0 | 0 | 107 | P52 T60 I66 | A50-P52 WeakPolarHBondContact O-CD 3.16Å; A50-T60 HydrophobicContact CB-CG2 3.82Å; A50-I66 HydrophobicContact CB-CD1 4.18Å | ||
| 51 | T | 57.6 | Low | 71.9 | Confident | 120 Ų | 120 | 80.6 Ų | 80.6 | 74% | 0.736 | 47% | 0.466 | S | S | * | . | trans | -65.4 | 121.5 | 166.3 | -48.6 | 0 | 0 | 0 | 0 | 106.7 | Y49 A53 | Y49-T51 PolarHBondContact O-N 2.9Å; Y49-T51 VanDerWaalsContact O-N 3.17Å; T51-A53 PolarHBondContact O-N 3.45Å | ||
| 52 | P | 50.7 | Low | 70.6 | Confident | 87 Ų | 87 | 84.1 Ų | 84.1 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | trans | -59.8 | 114.1 | 169.3 | -14.5 | 27.5 | 0 | 0 | 0 | 106.1 | A50 V54 | A50-P52 WeakPolarHBondContact O-CD 3.16Å; P52-V54 VanDerWaalsContact C-N 3.31Å; P52-V54 PolarHBondContact O-N 3.45Å | ||
| 53 | A | 57.9 | Low | 69.6 | Low | 42 Ų | 42 | 90.9 Ų | 90.9 | 35% | 0.347 | 52% | 0.524 | S | S | . | . | trans | -65.7 | 98.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | T51 G55 L56 | T51-A53 PolarHBondContact O-N 3.45Å; A53-G55 VanDerWaalsContact C-N 3.33Å; A53-G55 PolarHBondContact O-N 2.92Å; A53-L56 HydrophobicContact CB-CB 3.8Å; A53-L56 PolarHBondContact O-N 3.18Å | ||
| 54 | V | 53 | Low | 68.7 | Low | 152 Ų | 152 | 95.1 Ų | 95.1 | 92% | 0.921 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 99.3 | 176.4 | -179.5 | 0 | 0 | 0 | 0 | 106.9 | P52 | P52-V54 VanDerWaalsContact C-N 3.31Å; P52-V54 PolarHBondContact O-N 3.45Å |
| 55 | G | 57 | Low | 68.1 | Low | 78 Ų | 78 | 97.4 Ų | 97.4 | 80% | 0.804 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 108 | -7.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 117 | A53 | A53-G55 VanDerWaalsContact C-N 3.33Å; A53-G55 PolarHBondContact O-N 2.92Å |
| 56 | L | 57.5 | Low | 67.5 | Low | 126 Ų | 126 | 98.6 Ų | 98.6 | 66% | 0.66 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -110.7 | 128.9 | 169.9 | -65.6 | 168.4 | 0 | 0 | 0 | 109.1 | A53 M58 | A53-L56 HydrophobicContact CB-CB 3.8Å; A53-L56 PolarHBondContact O-N 3.18Å; L56-M58 PolarHBondContact O-N 3.48Å |
| 57 | T | 55.3 | Low | 67.3 | Low | 154 Ų | 154 | 97.5 Ų | 97.5 | 95% | 0.945 | 57% | 0.571 | S | S | * | * | trans | -71.9 | 62.4 | 176.5 | 58 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 58 | M | 58.1 | Low | 67.5 | Low | 146 Ų | 146 | 102.6 Ų | 102.6 | 72% | 0.719 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 117.5 | 167 | -65.4 | -150 | 75.1 | 0 | 0 | 107.7 | L56 T60 | L56-M58 PolarHBondContact O-N 3.48Å; M58-T60 PolarHBondContact O-N 2.95Å |
| 59 | E | 64.1 | Low | 68.1 | Low | 187 Ų | 187 | 102.9 Ų | 102.9 | 87% | 0.874 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 124.6 | 172 | -65.7 | -173.7 | 164.4 | 0 | 0 | 108.6 | P61 | E59-P61 WeakPolarHBondContact O-CD 3.37Š|
| 60 | T | 65.7 | Low | 69.2 | Low | 84 Ų | 84 | 96.9 Ų | 96.9 | 52% | 0.515 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -66.8 | 126.9 | 172.4 | -57.3 | 0 | 0 | 0 | 0 | 107.3 | A50 M58 | A50-T60 HydrophobicContact CB-CG2 3.82Å; M58-T60 PolarHBondContact O-N 2.95Å |
| 61 | P | 68.1 | Low | 70.8 | Confident | 58 Ų | 58 | 99.2 Ų | 99.2 | 38% | 0.377 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -54.2 | 143.1 | 176.1 | -24.7 | 33 | 0 | 0 | 0 | 110.7 | E59 D65 I66 | E59-P61 WeakPolarHBondContact O-CD 3.37Å; P61-D65 HydrophobicContact CB-CB 4.29Å; P61-I66 HydrophobicContact CB-CG1 4.41Å |
| 62 | P | 72.2 | Confident | 72.5 | Confident | 74 Ų | 74 | 97 Ų | 97 | 48% | 0.481 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -48.8 | 145.1 | 170.8 | -26.6 | 32.8 | 0 | 0 | 0 | 112.1 | T64 D65 I66 | P62-T64 PolarHBondContact O-N 3.25Å; P62-T64 VanDerWaalsContact O-N 3.07Å; P62-D65 WeakPolarHBondContact CD-OD2 3.4Å; P62-D65 WeakPolarHBondContact O-CB 3.33Å; P62-D65 PolarHBondContact O-N 2.85Å; P62-I66 PolarHBondContact O-N 3.03Å |
| 63 | L | 76.4 | Confident | 74.5 | Confident | 142 Ų | 142 | 94.5 Ų | 94.5 | 74% | 0.743 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -55.2 | -29.7 | 178 | -71.9 | 172.7 | 0 | 0 | 0 | 113.2 | D65 I66 T67 | L63-D65 VanDerWaalsContact C-N 3.3Å; L63-D65 PolarHBondContact O-N 2.83Å; L63-I66 PolarHBondContact O-N 2.85Å; L63-T67 WeakPolarHBondContact O-CB 3.47Å; L63-T67 PolarHBondContact O-N 3.24Å; L63-T67 PolarHBondContact O-OG1 3.33Å |
| 64 | T | 81.4 | Confident | 76.4 | Confident | 102 Ų | 102 | 94.1 Ų | 94.1 | 63% | 0.626 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.9 | -38.1 | 174.5 | 50.6 | 0 | 0 | 0 | 0 | 112.1 | P62 K68 | P62-T64 PolarHBondContact O-N 3.25Å; P62-T64 VanDerWaalsContact O-N 3.07Å; T64-K68 WeakPolarHBondContact O-CB 3.28Å; T64-K68 PolarHBondContact O-N 2.98Å |
| 65 | D | 83.5 | Confident | 78.5 | Confident | 74 Ų | 74 | 89.8 Ų | 89.8 | 40% | 0.396 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -74.4 | -40.9 | -179.5 | -66.2 | -15.8 | 0 | 0 | 0 | 110.8 | P61 P62 L63 T67 K68 I69 | P61-D65 HydrophobicContact CB-CB 4.29Å; P62-D65 WeakPolarHBondContact CD-OD2 3.4Å; P62-D65 WeakPolarHBondContact O-CB 3.33Å; P62-D65 PolarHBondContact O-N 2.85Å; L63-D65 VanDerWaalsContact C-N 3.3Å; L63-D65 PolarHBondContact O-N 2.83Å; D65-T67 VanDerWaalsContact C-N 3.33Å; D65-T67 PolarHBondContact O-N 3.33Å; D65-K68 PolarHBondContact O-N 2.97Å; D65-I69 WeakPolarHBondContact O-CB 3.4Å; D65-I69 WeakPolarHBondContact O-CD1 3.47Å; D65-I69 WeakPolarHBondContact O-CG1 3.49Å; D65-I69 PolarHBondContact O-N 3.44Å |
| 66 | I | 82.8 | Confident | 80.4 | Confident | 36 Ų | 36 | 93 Ų | 93 | 19% | 0.185 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 173.6 | -62.5 | 174.9 | 0 | 0 | 0 | 110.2 | A50 P61 P62 L63 K68 I69 M70 | A50-I66 HydrophobicContact CB-CD1 4.18Å; P61-I66 HydrophobicContact CB-CG1 4.41Å; P62-I66 PolarHBondContact O-N 3.03Å; L63-I66 PolarHBondContact O-N 2.85Å; I66-K68 VanDerWaalsContact C-N 3.32Å; I66-K68 PolarHBondContact O-N 3.46Å; I66-I69 PolarHBondContact O-N 3.13Å; I66-M70 WeakPolarHBondContact O-CB 3.38Å; I66-M70 VanDerWaalsContact O-CG 3.31Å; I66-M70 WeakPolarHBondContact O-CG 3.24Å; I66-M70 PolarHBondContact O-N 3.04Å |
| 67 | T | 86.9 | Confident | 82.2 | Confident | 94 Ų | 94 | 87.2 Ų | 87.2 | 58% | 0.577 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.3 | -43.1 | 178.3 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | L63 D65 M70 Q71 | L63-T67 WeakPolarHBondContact O-CB 3.47Å; L63-T67 PolarHBondContact O-N 3.24Å; L63-T67 PolarHBondContact O-OG1 3.33Å; D65-T67 VanDerWaalsContact C-N 3.33Å; D65-T67 PolarHBondContact O-N 3.33Å; T67-M70 PolarHBondContact O-N 2.95Å; T67-Q71 WeakPolarHBondContact O-CB 3.32Å; T67-Q71 PolarHBondContact O-N 3.06Å |
| 68 | K | 88.9 | Confident | 84.3 | Confident | 133 Ų | 133 | 84.9 Ų | 84.9 | 58% | 0.578 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.3 | -45.9 | 177.4 | -174.7 | -180 | 177 | -175.5 | 0 | 112.3 | T64 D65 I66 M70 Q71 D72 | T64-K68 WeakPolarHBondContact O-CB 3.28Å; T64-K68 PolarHBondContact O-N 2.98Å; D65-K68 PolarHBondContact O-N 2.97Å; I66-K68 VanDerWaalsContact C-N 3.32Å; I66-K68 PolarHBondContact O-N 3.46Å; K68-M70 VanDerWaalsContact C-N 3.27Å; K68-M70 PolarHBondContact O-N 3.38Å; K68-Q71 PolarHBondContact O-N 2.99Å; K68-Q71 VanDerWaalsContact O-N 3.17Å; K68-D72 WeakPolarHBondContact O-CB 3.49Å; K68-D72 VanDerWaalsContact O-CG 3.29Å; K68-D72 PolarHBondContact O-N 3.03Å |
| 69 | I | 87.6 | Confident | 86.2 | Confident | 72 Ų | 72 | 83.3 Ų | 83.3 | 37% | 0.369 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.4 | -41.6 | 177 | -69.6 | 163.1 | 0 | 0 | 0 | 110.8 | V48 D65 I66 S73 | V48-I69 HydrophobicContact CB-CG2 4.22Å; V48-I69 HydrophobicContact CG1-CG2 4.47Å; V48-I69 HydrophobicContact CG2-CG2 3.71Å; D65-I69 WeakPolarHBondContact O-CB 3.4Å; D65-I69 WeakPolarHBondContact O-CD1 3.47Å; D65-I69 WeakPolarHBondContact O-CG1 3.49Å; D65-I69 PolarHBondContact O-N 3.44Å; I66-I69 PolarHBondContact O-N 3.13Å; I69-S73 WeakPolarHBondContact O-CB 3.32Å; I69-S73 PolarHBondContact O-N 3.39Å; I69-S73 PolarHBondContact O-OG 3.21Å |
| 70 | M | 89.6 | Confident | 87.8 | Confident | 36 Ų | 36 | 75.5 Ų | 75.5 | 18% | 0.177 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 175.4 | -76.9 | -59.7 | -61.5 | 0 | 0 | 111.7 | P47 V48 I66 T67 K68 D72 S73 I74 V101 | P47-M70 VanDerWaalsContact CA-SD 3.53Å; P47-M70 HydrophobicContact CB-CE 3.88Å; P47-M70 HydrophobicContact CB-SD 4.07Å; V48-M70 HydrophobicContact CB-SD 4.4Å; V48-M70 HydrophobicContact CG2-SD 4.5Å; V48-M70 PolarHBondContact N-SD 3.15Å; I66-M70 WeakPolarHBondContact O-CB 3.38Å; I66-M70 VanDerWaalsContact O-CG 3.31Å; I66-M70 WeakPolarHBondContact O-CG 3.24Å; I66-M70 PolarHBondContact O-N 3.04Å; T67-M70 PolarHBondContact O-N 2.95Å; K68-M70 VanDerWaalsContact C-N 3.27Å; K68-M70 PolarHBondContact O-N 3.38Å; M70-D72 PolarHBondContact O-N 3.18Å; M70-S73 PolarHBondContact O-N 3.42Å; M70-I74 WeakPolarHBondContact O-CG1 3.35Å; M70-I74 PolarHBondContact O-N 2.85Å; M70-V101 HydrophobicContact CE-CG1 4.01Å |
| 71 | Q | 92.9 | Very high | 89.4 | Confident | 86 Ų | 86 | 71.8 Ų | 71.8 | 40% | 0.402 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 178.1 | -173.2 | 56.4 | 55.3 | 0 | 0 | 111.4 | T67 K68 S73 I74 D75 | T67-Q71 WeakPolarHBondContact O-CB 3.32Å; T67-Q71 PolarHBondContact O-N 3.06Å; K68-Q71 PolarHBondContact O-N 2.99Å; K68-Q71 VanDerWaalsContact O-N 3.17Å; Q71-S73 VanDerWaalsContact C-N 3.3Å; Q71-S73 PolarHBondContact O-N 2.9Å; Q71-I74 PolarHBondContact O-N 3.3Å; Q71-D75 VanDerWaalsContact NE2-CG 3.27Å; Q71-D75 PolarHBondContact NE2-OD1 3.34Å; Q71-D75 VanDerWaalsContact NE2-OD1 3.09Å; Q71-D75 PolarHBondContact NE2-OD2 3.26Å; Q71-D75 WeakPolarHBondContact O-CB 3.16Å; Q71-D75 PolarHBondContact O-N 2.83Å |
| 72 | D | 93.5 | Very high | 90.9 | Very high | 74 Ų | 74 | 75.8 Ų | 75.8 | 40% | 0.396 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 176.9 | -71.7 | -12.4 | 0 | 0 | 0 | 111.7 | K68 M70 D75 K76 | K68-D72 WeakPolarHBondContact O-CB 3.49Å; K68-D72 VanDerWaalsContact O-CG 3.29Å; K68-D72 PolarHBondContact O-N 3.03Å; M70-D72 PolarHBondContact O-N 3.18Å; D72-D75 PolarHBondContact O-N 3.27Å; D72-K76 WeakPolarHBondContact O-CB 3.32Å; D72-K76 VanDerWaalsContact O-CG 3.26Å; D72-K76 WeakPolarHBondContact O-CG 3.48Å; D72-K76 PolarHBondContact O-N 3.07Å |
| 73 | S | 93.1 | Very high | 92.1 | Very high | 34 Ų | 34 | 77 Ų | 77 | 24% | 0.238 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.2 | -42 | 177.3 | -60 | 0 | 0 | 0 | 0 | 112 | I69 M70 Q71 K76 G77 | I69-S73 WeakPolarHBondContact O-CB 3.32Å; I69-S73 PolarHBondContact O-N 3.39Å; I69-S73 PolarHBondContact O-OG 3.21Å; M70-S73 PolarHBondContact O-N 3.42Å; Q71-S73 VanDerWaalsContact C-N 3.3Å; Q71-S73 PolarHBondContact O-N 2.9Å; S73-K76 PolarHBondContact O-N 2.76Å; S73-G77 PolarHBondContact O-N 2.78Å |
| 74 | I | 96.3 | Very high | 93.2 | Very high | 35 Ų | 35 | 70.5 Ų | 70.5 | 18% | 0.179 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 174.4 | -71.1 | 167.4 | 0 | 0 | 0 | 110.8 | V45 M70 Q71 G77 K78 L99 V101 | V45-I74 HydrophobicContact CG1-CG1 4.43Å; M70-I74 WeakPolarHBondContact O-CG1 3.35Å; M70-I74 PolarHBondContact O-N 2.85Å; Q71-I74 PolarHBondContact O-N 3.3Å; I74-G77 PolarHBondContact O-N 2.78Å; I74-K78 HydrophobicContact CG2-CD 4.26Å; I74-K78 WeakPolarHBondContact O-CG 3.31Å; I74-K78 PolarHBondContact O-N 2.84Å; I74-L99 HydrophobicContact CG2-CD1 4.48Å; I74-L99 WeakPolarHBondContact O-CD1 3.48Å; I74-V101 HydrophobicContact CD1-CG2 4.35Å; I74-V101 HydrophobicContact CG1-CG2 4.3Å |
| 75 | D | 97.2 | Very high | 94 | Very high | 61 Ų | 61 | 67.8 Ų | 67.8 | 33% | 0.326 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70 | -37.7 | -178.4 | -69.8 | -26.4 | 0 | 0 | 0 | 112.1 | Q71 D72 G77 K78 L79 | Q71-D75 VanDerWaalsContact NE2-CG 3.27Å; Q71-D75 PolarHBondContact NE2-OD1 3.34Å; Q71-D75 VanDerWaalsContact NE2-OD1 3.09Å; Q71-D75 PolarHBondContact NE2-OD2 3.26Å; Q71-D75 WeakPolarHBondContact O-CB 3.16Å; Q71-D75 PolarHBondContact O-N 2.83Å; D72-D75 PolarHBondContact O-N 3.27Å; D75-G77 VanDerWaalsContact C-N 3.35Å; D75-G77 PolarHBondContact O-N 3.08Å; D75-K78 PolarHBondContact O-N 3.18Å; D75-K78 IonicContact OD1-NZ 3.61Å; D75-K78 PolarHBondContact OD1-NZ 3.3Å; D75-L79 WeakPolarHBondContact O-CB 3.3Å; D75-L79 VanDerWaalsContact O-CG 3.31Å; D75-L79 WeakPolarHBondContact O-CG 3.32Å; D75-L79 PolarHBondContact O-N 3Å |
| 76 | K | 96.3 | Very high | 94.7 | Very high | 144 Ų | 144 | 66.9 Ų | 66.9 | 63% | 0.626 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58.3 | -45.6 | 168.2 | -75.5 | 170.4 | -176 | 172.8 | 0 | 111.6 | D72 S73 K78 L79 L80 | D72-K76 WeakPolarHBondContact O-CB 3.32Å; D72-K76 VanDerWaalsContact O-CG 3.26Å; D72-K76 WeakPolarHBondContact O-CG 3.48Å; D72-K76 PolarHBondContact O-N 3.07Å; S73-K76 PolarHBondContact O-N 2.76Å; K76-K78 PolarHBondContact O-N 2.87Å; K76-L79 PolarHBondContact O-N 3.49Å; K76-L80 WeakPolarHBondContact O-CB 3.49Å; K76-L80 PolarHBondContact O-N 3.1Å |
| 77 | G | 97.1 | Very high | 95.4 | Very high | 6 Ų | 6 | 66.8 Ų | 66.8 | 6% | 0.062 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N43 S73 I74 D75 L80 G81 | N43-G77 WeakPolarHBondContact OD1-CA 3.49Å; S73-G77 PolarHBondContact O-N 2.78Å; I74-G77 PolarHBondContact O-N 2.78Å; D75-G77 VanDerWaalsContact C-N 3.35Å; D75-G77 PolarHBondContact O-N 3.08Å; G77-L80 WeakPolarHBondContact O-CB 3.28Å; G77-L80 PolarHBondContact O-N 2.95Å; G77-G81 PolarHBondContact O-N 3.35Å |
| 78 | K | 98.3 | Very high | 96 | Very high | 104 Ų | 104 | 62.3 Ų | 62.3 | 45% | 0.452 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 175.1 | -72.2 | 172.5 | -173 | 160.6 | 0 | 112.1 | I74 D75 K76 L80 G81 K82 L99 | I74-K78 HydrophobicContact CG2-CD 4.26Å; I74-K78 WeakPolarHBondContact O-CG 3.31Å; I74-K78 PolarHBondContact O-N 2.84Å; D75-K78 PolarHBondContact O-N 3.18Å; D75-K78 IonicContact OD1-NZ 3.61Å; D75-K78 PolarHBondContact OD1-NZ 3.3Å; K76-K78 PolarHBondContact O-N 2.87Å; K78-L80 VanDerWaalsContact C-N 3.29Å; K78-L80 PolarHBondContact O-N 2.98Å; K78-G81 PolarHBondContact O-N 3.38Å; K78-K82 WeakPolarHBondContact O-CG 3.32Å; K78-K82 PolarHBondContact O-N 2.81Å; K78-L99 HydrophobicContact CG-CD1 4.15Å |
| 79 | L | 98.4 | Very high | 96.3 | Very high | 114 Ų | 114 | 62.9 Ų | 62.9 | 60% | 0.597 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.5 | -39.8 | 176.5 | -73 | 172 | 0 | 0 | 0 | 111.2 | D75 K76 K82 K83 | D75-L79 WeakPolarHBondContact O-CB 3.3Å; D75-L79 VanDerWaalsContact O-CG 3.31Å; D75-L79 WeakPolarHBondContact O-CG 3.32Å; D75-L79 PolarHBondContact O-N 3Å; K76-L79 PolarHBondContact O-N 3.49Å; L79-K82 PolarHBondContact O-N 3.06Å; L79-K83 PolarHBondContact O-N 3.16Å |
| 80 | L | 98.2 | Very high | 96.8 | Very high | 23 Ų | 23 | 66.1 Ų | 66.1 | 12% | 0.12 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 175.2 | -172.1 | 68.2 | 0 | 0 | 0 | 111.6 | I15 G17 K76 G77 K78 K82 K83 Y84 | I15-L80 HydrophobicContact CB-CD2 4.11Å; I15-L80 HydrophobicContact CD1-CD2 4.17Å; I15-L80 HydrophobicContact CD1-CG 4.06Å; I15-L80 HydrophobicContact CG1-CD2 4.31Å; G17-L80 VanDerWaalsContact N-CD2 3.31Å; K76-L80 WeakPolarHBondContact O-CB 3.49Å; K76-L80 PolarHBondContact O-N 3.1Å; G77-L80 WeakPolarHBondContact O-CB 3.28Å; G77-L80 PolarHBondContact O-N 2.95Å; K78-L80 VanDerWaalsContact C-N 3.29Å; K78-L80 PolarHBondContact O-N 2.98Å; L80-K82 VanDerWaalsContact C-N 3.3Å; L80-K82 PolarHBondContact O-N 3.3Å; L80-K83 WeakPolarHBondContact O-CB 3.3Å; L80-K83 PolarHBondContact O-N 2.94Å; L80-K83 VanDerWaalsContact O-N 3.1Å; L80-Y84 HydrophobicContact CD1-CD2 4.13Å; L80-Y84 HydrophobicContact CD1-CE2 3.76Å; L80-Y84 HydrophobicContact CG-CD2 4.18Å; L80-Y84 HydrophobicContact CG-CE2 4.12Å; L80-Y84 WeakPolarHBondContact O-CD2 3.46Å; L80-Y84 PolarHBondContact O-N 3.44Å; L80-Y84 VanDerWaalsContact O-N 3.09Å |
| 81 | G | 98.6 | Very high | 97.2 | Very high | 6 Ų | 6 | 68.8 Ų | 68.8 | 6% | 0.062 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57 | -42.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G77 K78 Y84 I85 | G77-G81 PolarHBondContact O-N 3.35Å; K78-G81 PolarHBondContact O-N 3.38Å; G81-Y84 PolarHBondContact O-N 2.87Å; G81-I85 WeakPolarHBondContact O-CG1 3.34Å; G81-I85 PolarHBondContact O-N 3.13Å |
| 82 | K | 98.6 | Very high | 97.3 | Very high | 142 Ų | 142 | 71.9 Ų | 71.9 | 62% | 0.617 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62 | -41.6 | 174.5 | -71.6 | 175.8 | -178.4 | 179.6 | 0 | 112.5 | K78 L79 L80 I85 A86 | K78-K82 WeakPolarHBondContact O-CG 3.32Å; K78-K82 PolarHBondContact O-N 2.81Å; L79-K82 PolarHBondContact O-N 3.06Å; L80-K82 VanDerWaalsContact C-N 3.3Å; L80-K82 PolarHBondContact O-N 3.3Å; K82-I85 PolarHBondContact O-N 2.78Å; K82-A86 WeakPolarHBondContact O-CB 3.32Å; K82-A86 PolarHBondContact O-N 2.86Å |
| 83 | K | 98.5 | Very high | 97.5 | Very high | 100 Ų | 100 | 68.9 Ų | 68.9 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -56.4 | -50.6 | 175.6 | 178.5 | -170.2 | 168.3 | -170.5 | 0 | 110.7 | E22 L79 L80 A86 E87 | E22-K83 IonicContact OE1-NZ 3.38Å; E22-K83 IonicContact OE2-NZ 3.6Å; E22-K83 PolarHBondContact OE2-NZ 2.9Å; L79-K83 PolarHBondContact O-N 3.16Å; L80-K83 WeakPolarHBondContact O-CB 3.3Å; L80-K83 PolarHBondContact O-N 2.94Å; L80-K83 VanDerWaalsContact O-N 3.1Å; K83-A86 PolarHBondContact O-N 3.24Å; K83-E87 PolarHBondContact O-N 3.04Å |
| 84 | Y | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 71.8 Ų | 71.8 | 2% | 0.016 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68 | -37.3 | -178.6 | -84.1 | -90.4 | 0 | 0 | 0 | 113.3 | I15 E22 F25 F41 L80 G81 E87 A88 | I15-Y84 HydrophobicContact CB-CD2 4.17Å; I15-Y84 HydrophobicContact CB-CE2 3.91Å; I15-Y84 HydrophobicContact CD1-CD2 3.95Å; I15-Y84 HydrophobicContact CD1-CG 4.4Å; I15-Y84 HydrophobicContact CG2-CD1 3.88Å; I15-Y84 HydrophobicContact CG2-CD2 3.78Å; I15-Y84 HydrophobicContact CG2-CE1 3.66Å; I15-Y84 HydrophobicContact CG2-CE2 3.58Å; I15-Y84 HydrophobicContact CG2-CG 3.92Å; E22-Y84 WeakPolarHBondContact CA-OH 3.44Å; E22-Y84 PolarHBondContact N-OH 3.21Å; E22-Y84 VanDerWaalsContact N-OH 3.12Å; F25-Y84 HydrophobicContact CB-CD1 4.41Å; F25-Y84 HydrophobicContact CB-CE1 3.87Å; F25-Y84 AromaticContact CD1-CD1 3.88Å; F25-Y84 HydrophobicContact CD1-CD1 3.88Å; F25-Y84 AromaticContact CD1-CE1 3.96Å; F25-Y84 HydrophobicContact CD1-CE1 3.96Å; F25-Y84 HydrophobicContact CE1-CD1 4.41Å; F25-Y84 HydrophobicContact CG-CD1 4.17Å; F25-Y84 HydrophobicContact CG-CE1 4.1Å; F41-Y84 AromaticContact CD1-CD1 3.79Å; F41-Y84 HydrophobicContact CD1-CD1 3.79Å; F41-Y84 HydrophobicContact CD1-CG 4.05Å; F41-Y84 AromaticContact CE1-CD1 3.51Å; F41-Y84 HydrophobicContact CE1-CD1 3.51Å; F41-Y84 HydrophobicContact CE1-CE1 4.39Å; F41-Y84 HydrophobicContact CE1-CG 4.11Å; F41-Y84 HydrophobicContact CG-CG 4.42Å; F41-Y84 HydrophobicContact CZ-CD1 4.1Å; L80-Y84 HydrophobicContact CD1-CD2 4.13Å; L80-Y84 HydrophobicContact CD1-CE2 3.76Å; L80-Y84 HydrophobicContact CG-CD2 4.18Å; L80-Y84 HydrophobicContact CG-CE2 4.12Å; L80-Y84 WeakPolarHBondContact O-CD2 3.46Å; L80-Y84 PolarHBondContact O-N 3.44Å; L80-Y84 VanDerWaalsContact O-N 3.09Å; G81-Y84 PolarHBondContact O-N 2.87Å; Y84-E87 PolarHBondContact O-N 3.41Å; Y84-A88 VanDerWaalsContact O-CB 3.28Å; Y84-A88 WeakPolarHBondContact O-CB 3.34Å; Y84-A88 PolarHBondContact O-N 3.12Å |
| 85 | I | 98.6 | Very high | 97.8 | Very high | 45 Ų | 45 | 71.2 Ų | 71.2 | 23% | 0.231 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 172 | -71.9 | 170.3 | 0 | 0 | 0 | 110.7 | G81 K82 E87 A88 K89 A97 | G81-I85 WeakPolarHBondContact O-CG1 3.34Å; G81-I85 PolarHBondContact O-N 3.13Å; K82-I85 PolarHBondContact O-N 2.78Å; I85-E87 VanDerWaalsContact C-N 3.31Å; I85-E87 PolarHBondContact O-N 3.21Å; I85-A88 PolarHBondContact O-N 3.26Å; I85-K89 HydrophobicContact CG2-CD 4.26Å; I85-K89 WeakPolarHBondContact O-CG 3.29Å; I85-K89 PolarHBondContact O-N 3.14Å; I85-A97 HydrophobicContact CD1-CB 3.63Å; I85-A97 HydrophobicContact CG1-CB 3.98Å |
| 86 | A | 98.5 | Very high | 97.8 | Very high | 55 Ų | 55 | 72.6 Ų | 72.6 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K82 K83 | K82-A86 WeakPolarHBondContact O-CB 3.32Å; K82-A86 PolarHBondContact O-N 2.86Å; K83-A86 PolarHBondContact O-N 3.24Å |
| 87 | E | 98 | Very high | 97.9 | Very high | 35 Ų | 35 | 67.4 Ų | 67.4 | 16% | 0.164 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 175.7 | -164.7 | 62.9 | -153.3 | 0 | 0 | 111.6 | F25 K83 Y84 I85 K89 K90 Y91 | F25-E87 HydrophobicContact CD1-CG 4.38Å; F25-E87 HydrophobicContact CE1-CB 3.98Å; F25-E87 HydrophobicContact CE1-CG 3.66Å; K83-E87 PolarHBondContact O-N 3.04Å; Y84-E87 PolarHBondContact O-N 3.41Å; I85-E87 VanDerWaalsContact C-N 3.31Å; I85-E87 PolarHBondContact O-N 3.21Å; E87-K89 VanDerWaalsContact C-N 3.28Å; E87-K89 PolarHBondContact O-N 3.29Å; E87-K90 VanDerWaalsContact O-CB 3.32Å; E87-K90 WeakPolarHBondContact O-CB 3.03Å; E87-K90 PolarHBondContact O-N 2.94Å; E87-K90 IonicContact OE1-NZ 2.68Å; E87-K90 WeakPolarHBondContact OE2-CE 3.28Å; E87-K90 IonicContact OE2-NZ 2.69Å; E87-K90 PolarHBondContact OE2-NZ 2.91Å; E87-Y91 VanDerWaalsContact O-CD2 3.31Å; E87-Y91 WeakPolarHBondContact O-CD2 3.35Å |
| 88 | A | 98 | Very high | 98 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.6 | -34.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F25 F41 Y84 I85 K90 Y91 D92 I93 C95 | F25-A88 HydrophobicContact CZ-CB 3.98Å; F41-A88 HydrophobicContact CE2-CB 3.87Å; F41-A88 HydrophobicContact CZ-CB 4.02Å; Y84-A88 VanDerWaalsContact O-CB 3.28Å; Y84-A88 WeakPolarHBondContact O-CB 3.34Å; Y84-A88 PolarHBondContact O-N 3.12Å; I85-A88 PolarHBondContact O-N 3.26Å; A88-K90 VanDerWaalsContact C-N 3.26Å; A88-K90 PolarHBondContact O-N 3.48Å; A88-Y91 PolarHBondContact O-N 3.5Å; A88-Y91 VanDerWaalsContact O-N 3.1Å; A88-D92 PolarHBondContact O-N 3.39Å; A88-I93 HydrophobicContact CB-CB 4.13Å; A88-I93 HydrophobicContact CB-CD1 4.42Å; A88-I93 HydrophobicContact CB-CG2 4.43Å; A88-I93 PolarHBondContact O-N 3.43Å; A88-C95 HydrophobicContact CB-CB 4.16Å; A88-C95 VanDerWaalsContact CB-SG 3.59Å |
| 89 | K | 96.7 | Very high | 98 | Very high | 144 Ų | 144 | 67.3 Ų | 67.3 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.9 | -28.5 | 175 | -78.5 | 179.3 | 177.9 | -173.8 | 0 | 113.5 | I85 E87 Y91 D92 | I85-K89 HydrophobicContact CG2-CD 4.26Å; I85-K89 WeakPolarHBondContact O-CG 3.29Å; I85-K89 PolarHBondContact O-N 3.14Å; E87-K89 VanDerWaalsContact C-N 3.28Å; E87-K89 PolarHBondContact O-N 3.29Å; K89-Y91 PolarHBondContact O-N 3.42Å; K89-Y91 VanDerWaalsContact O-N 3.16Å; K89-D92 PolarHBondContact O-N 3.23Å |
| 90 | K | 97.8 | Very high | 98 | Very high | 141 Ų | 141 | 64.6 Ų | 64.6 | 61% | 0.613 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.6 | 175.3 | -60.3 | 173.4 | -177.2 | 171.5 | 0 | 112.8 | E87 A88 | E87-K90 VanDerWaalsContact O-CB 3.32Å; E87-K90 WeakPolarHBondContact O-CB 3.03Å; E87-K90 PolarHBondContact O-N 2.94Å; E87-K90 IonicContact OE1-NZ 2.68Å; E87-K90 WeakPolarHBondContact OE2-CE 3.28Å; E87-K90 IonicContact OE2-NZ 2.69Å; E87-K90 PolarHBondContact OE2-NZ 2.91Å; A88-K90 VanDerWaalsContact C-N 3.26Å; A88-K90 PolarHBondContact O-N 3.48Å |
| 91 | Y | 96.9 | Very high | 97.9 | Very high | 91 Ų | 91 | 67 Ų | 67 | 36% | 0.357 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 15.7 | -176.9 | -60.4 | -83.3 | 0 | 0 | 0 | 112.8 | L29 K33 E87 A88 K89 I93 | L29-Y91 HydrophobicContact CD1-CD2 3.94Å; L29-Y91 HydrophobicContact CD1-CE1 4.46Å; L29-Y91 HydrophobicContact CD1-CE2 3.63Å; L29-Y91 HydrophobicContact CD1-CG 4.49Å; L29-Y91 HydrophobicContact CD2-CD1 4.42Å; L29-Y91 HydrophobicContact CD2-CD2 3.97Å; L29-Y91 HydrophobicContact CD2-CE2 4.49Å; L29-Y91 HydrophobicContact CD2-CG 3.94Å; K33-Y91 WeakPolarHBondContact CE-O 3.41Å; K33-Y91 PolarHBondContact NZ-O 2.85Å; E87-Y91 VanDerWaalsContact O-CD2 3.31Å; E87-Y91 WeakPolarHBondContact O-CD2 3.35Å; A88-Y91 PolarHBondContact O-N 3.5Å; A88-Y91 VanDerWaalsContact O-N 3.1Å; K89-Y91 PolarHBondContact O-N 3.42Å; K89-Y91 VanDerWaalsContact O-N 3.16Å; Y91-I93 VanDerWaalsContact C-N 3.27Å; Y91-I93 PolarHBondContact O-N 3.01Å |
| 92 | D | 95.8 | Very high | 97.7 | Very high | 151 Ų | 151 | 69.1 Ų | 69.1 | 81% | 0.807 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 39.3 | -178.8 | -60.1 | -58.5 | 0 | 0 | 0 | 113.7 | A88 K89 | A88-D92 PolarHBondContact O-N 3.39Å; K89-D92 PolarHBondContact O-N 3.23Å |
| 93 | I | 97.1 | Very high | 97.4 | Very high | 12 Ų | 12 | 66.7 Ų | 66.7 | 6% | 0.062 | 34% | 0.339 | C | S | . | . | trans | -90.9 | 125 | 179.5 | -63.8 | 162.5 | 0 | 0 | 0 | 109.8 | F25 Y28 L29 K33 V39 A88 Y91 C95 | F25-I93 HydrophobicContact CE2-CD1 4.35Å; F25-I93 HydrophobicContact CZ-CD1 4.36Å; Y28-I93 HydrophobicContact CE1-CD1 4.01Å; L29-I93 HydrophobicContact CD2-CD1 3.32Å; K33-I93 HydrophobicContact CD-CD1 4.3Å; K33-I93 HydrophobicContact CD-CG1 4.34Å; K33-I93 HydrophobicContact CG-CG1 4.49Å; V39-I93 HydrophobicContact CB-CG2 3.9Å; V39-I93 HydrophobicContact CG2-CG2 3.51Å; A88-I93 HydrophobicContact CB-CB 4.13Å; A88-I93 HydrophobicContact CB-CD1 4.42Å; A88-I93 HydrophobicContact CB-CG2 4.43Å; A88-I93 PolarHBondContact O-N 3.43Å; Y91-I93 VanDerWaalsContact C-N 3.27Å; Y91-I93 PolarHBondContact O-N 3.01Å; I93-C95 HydrophobicContact CG2-CB 4.27Å; I93-C95 PolarHBondContact O-N 3.24Å | ||
| 94 | N | 97.6 | Very high | 97.3 | Very high | 95 Ų | 95 | 69.3 Ų | 69.3 | 51% | 0.508 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 114.2 | 166.5 | -175.3 | 1.1 | 0 | 0 | 0 | 109.2 | I38 V39 | I38-N94 WeakPolarHBondContact CA-O 3.37Å; V39-N94 PolarHBondContact N-O 3.16Å |
| 95 | C | 98.3 | Very high | 97.2 | Very high | 22 Ų | 22 | 70 Ų | 70 | 15% | 0.149 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 156.9 | -174.2 | 63.4 | 0 | 0 | 0 | 0 | 114 | V39 F41 A88 I93 | V39-C95 HydrophobicContact CB-CB 4.11Å; V39-C95 CarbonylContact O-C 3.52Å; V39-C95 WeakPolarHBondContact O-CA 3.4Å; F41-C95 HydrophobicContact CD2-CB 4.35Å; F41-C95 HydrophobicContact CE2-CB 3.88Å; A88-C95 HydrophobicContact CB-CB 4.16Å; A88-C95 VanDerWaalsContact CB-SG 3.59Å; I93-C95 HydrophobicContact CG2-CB 4.27Å; I93-C95 PolarHBondContact O-N 3.24Å |
| 96 | Q | 98.5 | Very high | 97.1 | Very high | 90 Ų | 90 | 68.2 Ų | 68.2 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 154 | 171.2 | -69.2 | 176 | -20.4 | 0 | 0 | 108.9 | V39 K40 F41 F98 | V39-Q96 PolarHBondContact O-N 3.48Å; K40-Q96 WeakPolarHBondContact CA-O 3.47Å; K40-Q96 HydrophobicContact CD-CB 4.3Å; F41-Q96 PolarHBondContact N-O 2.93Å; Q96-F98 HydrophobicContact CB-CE2 3.54Å; Q96-F98 HydrophobicContact CB-CZ 3.89Å |
| 97 | A | 98.6 | Very high | 97.1 | Very high | 35 Ų | 35 | 66.6 Ų | 66.6 | 29% | 0.289 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 139.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F41 I85 | F41-A97 HydrophobicContact CB-CB 4.13Å; F41-A97 CarbonylContact O-C 3.58Å; F41-A97 VanDerWaalsContact O-CA 3.3Å; F41-A97 WeakPolarHBondContact O-CA 3.49Å; I85-A97 HydrophobicContact CD1-CB 3.63Å; I85-A97 HydrophobicContact CG1-CB 3.98Å |
| 98 | F | 98.7 | Very high | 97.1 | Very high | 56 Ų | 56 | 65.3 Ų | 65.3 | 25% | 0.246 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 144.5 | -177.9 | -59 | -94.1 | 0 | 0 | 0 | 109.4 | K40 F41 N43 Q96 H116 | K40-F98 HydrophobicContact CB-CD2 4.48Å; K40-F98 HydrophobicContact CB-CE2 4.29Å; K40-F98 HydrophobicContact CD-CE2 3.57Å; K40-F98 HydrophobicContact CD-CZ 4.16Å; K40-F98 HydrophobicContact CG-CE2 4.45Å; F41-F98 PolarHBondContact O-N 2.87Å; N43-F98 PolarHBondContact N-O 2.81Å; Q96-F98 HydrophobicContact CB-CE2 3.54Å; Q96-F98 HydrophobicContact CB-CZ 3.89Å; F98-H116 AromaticContact CD1-CE1 3.71Å; F98-H116 AromaticContact CD1-NE2 3.79Å; F98-H116 AromaticContact CD2-NE2 3.85Å; F98-H116 AromaticContact CE1-CE1 3.43Å; F98-H116 VanDerWaalsContact CE1-CE1 3.43Å; F98-H116 WeakPolarHBondContact CE1-CE1 3.41Å; F98-H116 AromaticContact CE1-NE2 3.95Å; F98-H116 AromaticContact CE2-CE1 3.98Å; F98-H116 AromaticContact CG-NE2 3.74Å; F98-H116 AromaticContact CZ-CE1 3.58Å |
| 99 | L | 98.4 | Very high | 97.2 | Very high | 53 Ų | 53 | 65.5 Ų | 65.5 | 28% | 0.277 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 124.9 | 174 | -174.1 | 155.2 | 0 | 0 | 0 | 107.8 | N43 V45 I74 K78 V101 | N43-L99 WeakPolarHBondContact O-CA 3.41Å; V45-L99 HydrophobicContact CB-CD2 4.48Å; V45-L99 HydrophobicContact CG2-CD1 3.93Å; V45-L99 HydrophobicContact CG2-CD2 3.96Å; V45-L99 HydrophobicContact CG2-CG 3.91Å; I74-L99 HydrophobicContact CG2-CD1 4.48Å; I74-L99 WeakPolarHBondContact O-CD1 3.48Å; K78-L99 HydrophobicContact CG-CD1 4.15Å; L99-V101 HydrophobicContact CD2-CG2 4.01Å |
| 100 | H | 97.6 | Very high | 97.3 | Very high | 57 Ų | 57 | 59.8 Ų | 59.8 | 26% | 0.264 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 139.8 | 173.2 | -55.9 | -67.9 | 0 | 0 | 0 | 109.4 | N43 I44 V45 | N43-H100 PolarHBondContact O-N 2.96Å; I44-H100 CarbonylContact C-O 3.55Å; I44-H100 WeakPolarHBondContact CA-O 3.43Å; I44-H100 HydrophobicContact CD1-CB 3.82Å; V45-H100 PolarHBondContact N-O 2.91Å |
| 101 | V | 95.7 | Very high | 97.3 | Very high | 72 Ų | 72 | 58.5 Ų | 58.5 | 44% | 0.436 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 111.7 | 170.8 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | V45 P47 M70 I74 L99 | V45-V101 HydrophobicContact CB-CG2 4.38Å; V45-V101 VanDerWaalsContact O-CA 3.29Å; V45-V101 WeakPolarHBondContact O-CA 3.2Å; P47-V101 HydrophobicContact CB-CG1 4.37Å; M70-V101 HydrophobicContact CE-CG1 4.01Å; I74-V101 HydrophobicContact CD1-CG2 4.35Å; I74-V101 HydrophobicContact CG1-CG2 4.3Å; L99-V101 HydrophobicContact CD2-CG2 4.01Å |
| 102 | D | 95.3 | Very high | 97.4 | Very high | 51 Ų | 51 | 54.2 Ų | 54.2 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | trans | -155.4 | 143.4 | -176.2 | -161.3 | -66.6 | 0 | 0 | 0 | 110.1 | I44 V45 E46 P47 R104 A108 | I44-D102 HydrophobicContact CG2-CB 4.15Å; V45-D102 PolarHBondContact O-N 3.01Å; V45-D102 VanDerWaalsContact O-N 3.13Å; E46-D102 WeakPolarHBondContact CA-O 3.32Å; P47-D102 WeakPolarHBondContact CD-O 3.41Å; D102-R104 VanDerWaalsContact C-N 3.33Å; D102-R104 PolarHBondContact OD1-N 3.42Å; D102-A108 HydrophobicContact CB-CB 3.75Å | ||
| 103 | N | 92.8 | Very high | 97.5 | Very high | 91 Ų | 91 | 47 Ų | 47 | 49% | 0.487 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -88.3 | 1.4 | -179.9 | 68.8 | -14.2 | 0 | 0 | 0 | 113.7 | P47 Y49 | P47-N103 HydrophobicContact CG-CB 4.01Å; Y49-N103 HydrophobicContact CE2-CB 4.45Å |
| 104 | R | 95.3 | Very high | 97.6 | Very high | 156 Ų | 156 | 51.9 Ų | 51.9 | 59% | 0.589 | 26% | 0.264 | S | S | * | . | trans | -130.4 | 79.7 | 177.3 | -65 | -179.9 | -59.6 | 163 | 5.3 | 109.5 | D102 G106 A107 A108 | D102-R104 VanDerWaalsContact C-N 3.33Å; D102-R104 PolarHBondContact OD1-N 3.42Å; R104-G106 VanDerWaalsContact C-N 3.26Å; R104-G106 PolarHBondContact O-N 3.37Å; R104-G106 VanDerWaalsContact O-N 3.13Å; R104-A107 HydrophobicContact CB-CB 4.05Å; R104-A107 PolarHBondContact O-N 3.46Å; R104-A108 PolarHBondContact O-N 3.29Å | ||
| 105 | P | 96.2 | Very high | 97.6 | Very high | 19 Ų | 19 | 51.3 Ų | 51.3 | 12% | 0.123 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.5 | -38.2 | -174.6 | -27.6 | 34.5 | 0 | 0 | 0 | 114.7 | I44 E46 A108 L109 V139 | I44-P105 HydrophobicContact CB-CB 4.2Å; I44-P105 HydrophobicContact CG1-CB 4.37Å; I44-P105 HydrophobicContact CG2-CB 4.13Å; I44-P105 HydrophobicContact CG2-CG 4.22Å; E46-P105 VanDerWaalsContact CD-CG 3.46Å; E46-P105 HydrophobicContact CG-CG 3.56Å; P105-A108 PolarHBondContact O-N 2.95Å; P105-L109 WeakPolarHBondContact O-CB 3.43Å; P105-L109 WeakPolarHBondContact O-CG 3.36Å; P105-L109 PolarHBondContact O-N 3.13Å; P105-V139 HydrophobicContact CB-CG1 4.2Å; P105-V139 HydrophobicContact CB-CG2 3.88Å; P105-V139 HydrophobicContact CG-CG2 4.48Å |
| 106 | G | 97.7 | Very high | 97.6 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 6% | 0.062 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -49.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R104 L109 L110 Y142 | R104-G106 VanDerWaalsContact C-N 3.26Å; R104-G106 PolarHBondContact O-N 3.37Å; R104-G106 VanDerWaalsContact O-N 3.13Å; G106-L109 PolarHBondContact O-N 2.8Å; G106-L110 WeakPolarHBondContact O-CG 3.41Å; G106-L110 PolarHBondContact O-N 3.09Å; G106-L110 VanDerWaalsContact O-N 3.13Å; G106-Y142 VanDerWaalsContact C-CD1 3.48Å; G106-Y142 VanDerWaalsContact CA-CD1 3.49Å |
| 107 | A | 98.4 | Very high | 97.6 | Very high | 22 Ų | 22 | 53.7 Ų | 53.7 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.7 | -38.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R104 L109 L110 K111 Y142 | R104-A107 HydrophobicContact CB-CB 4.05Å; R104-A107 PolarHBondContact O-N 3.46Å; A107-L109 VanDerWaalsContact C-N 3.31Å; A107-L109 PolarHBondContact O-N 3.37Å; A107-L110 PolarHBondContact O-N 2.96Å; A107-K111 PolarHBondContact O-N 2.68Å; A107-Y142 HydrophobicContact CB-CE1 4.33Å |
| 108 | A | 98.5 | Very high | 97.6 | Very high | 7 Ų | 7 | 52.2 Ų | 52.2 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.4 | -37.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I44 D102 R104 P105 K111 S112 | I44-A108 HydrophobicContact CD1-CB 3.76Å; I44-A108 HydrophobicContact CG1-CB 4.26Å; I44-A108 HydrophobicContact CG2-CB 4.27Å; D102-A108 HydrophobicContact CB-CB 3.75Å; R104-A108 PolarHBondContact O-N 3.29Å; P105-A108 PolarHBondContact O-N 2.95Å; A108-K111 PolarHBondContact O-N 3.15Å; A108-S112 WeakPolarHBondContact O-CB 3.15Å; A108-S112 PolarHBondContact O-N 2.69Å |
| 109 | L | 98.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 173.4 | -74.1 | 177.7 | 0 | 0 | 0 | 112.5 | L12 P14 V42 I44 P105 G106 A107 K111 S112 I113 M123 V139 V143 | L12-L109 HydrophobicContact CD2-CD2 4.2Å; P14-L109 HydrophobicContact CB-CD1 3.89Å; P14-L109 HydrophobicContact CB-CD2 3.95Å; P14-L109 HydrophobicContact CG-CD1 3.74Å; P14-L109 HydrophobicContact CG-CD2 3.78Å; P14-L109 HydrophobicContact CG-CG 4.41Å; V42-L109 HydrophobicContact CB-CD2 4.15Å; V42-L109 HydrophobicContact CG1-CD2 3.82Å; I44-L109 HydrophobicContact CD1-CD2 4.29Å; I44-L109 HydrophobicContact CG1-CD2 4.22Å; I44-L109 HydrophobicContact CG1-CG 4.24Å; P105-L109 WeakPolarHBondContact O-CB 3.43Å; P105-L109 WeakPolarHBondContact O-CG 3.36Å; P105-L109 PolarHBondContact O-N 3.13Å; G106-L109 PolarHBondContact O-N 2.8Å; A107-L109 VanDerWaalsContact C-N 3.31Å; A107-L109 PolarHBondContact O-N 3.37Å; L109-K111 VanDerWaalsContact C-N 3.33Å; L109-K111 PolarHBondContact O-N 3.46Å; L109-S112 WeakPolarHBondContact O-CB 3.26Å; L109-S112 PolarHBondContact O-N 3.17Å; L109-I113 WeakPolarHBondContact O-CG1 3.44Å; L109-I113 PolarHBondContact O-N 3.24Å; L109-M123 HydrophobicContact CD1-CE 3.99Å; L109-V139 HydrophobicContact CD1-CG1 3.67Å; L109-V143 HydrophobicContact CB-CG2 4.03Å; L109-V143 HydrophobicContact CD1-CG2 4.08Å |
| 110 | L | 98.8 | Very high | 97.6 | Very high | 25 Ų | 25 | 51.2 Ų | 51.2 | 13% | 0.131 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61 | -42.8 | 174.3 | -63.5 | 178.8 | 0 | 0 | 0 | 111.8 | G106 A107 S112 I113 E114 Y142 H146 A147 | G106-L110 WeakPolarHBondContact O-CG 3.41Å; G106-L110 PolarHBondContact O-N 3.09Å; G106-L110 VanDerWaalsContact O-N 3.13Å; A107-L110 PolarHBondContact O-N 2.96Å; L110-S112 VanDerWaalsContact C-N 3.32Å; L110-S112 PolarHBondContact O-N 3.27Å; L110-I113 HydrophobicContact CD2-CD1 4.25Å; L110-I113 WeakPolarHBondContact O-CB 3.22Å; L110-I113 PolarHBondContact O-N 2.9Å; L110-E114 PolarHBondContact O-N 2.96Å; L110-Y142 HydrophobicContact CD1-CD1 4.28Å; L110-Y142 HydrophobicContact CD1-CE1 3.6Å; L110-Y142 HydrophobicContact CG-CE1 4.37Å; L110-H146 HydrophobicContact CD1-CB 3.44Å; L110-H146 VanDerWaalsContact CD1-CB 3.44Å; L110-H146 HydrophobicContact CD2-CB 4.23Å; L110-H146 HydrophobicContact CG-CB 4.46Å; L110-A147 HydrophobicContact CD2-CB 3.98Å |
| 111 | K | 98.7 | Very high | 97.6 | Very high | 113 Ų | 113 | 48.5 Ų | 48.5 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.4 | -41.4 | 173.5 | 175.6 | 163.9 | 174.3 | 38.9 | 0 | 111.8 | A107 A108 L109 I113 E114 D115 | A107-K111 PolarHBondContact O-N 2.68Å; A108-K111 PolarHBondContact O-N 3.15Å; L109-K111 VanDerWaalsContact C-N 3.33Å; L109-K111 PolarHBondContact O-N 3.46Å; K111-I113 VanDerWaalsContact C-N 3.31Å; K111-I113 PolarHBondContact O-N 3.37Å; K111-E114 PolarHBondContact O-N 2.94Å; K111-D115 WeakPolarHBondContact CE-OD2 2.88Å; K111-D115 WeakPolarHBondContact CG-OD2 3.41Å; K111-D115 IonicContact NZ-OD1 2.77Å; K111-D115 PolarHBondContact NZ-OD1 2.91Å; K111-D115 IonicContact NZ-OD2 2.74Å; K111-D115 PolarHBondContact NZ-OD2 2.6Å; K111-D115 WeakPolarHBondContact O-CB 3.4Å; K111-D115 VanDerWaalsContact O-CG 3.26Å; K111-D115 PolarHBondContact O-N 3.04Å |
| 112 | S | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.9 | -34.6 | 177.1 | -167.4 | 0 | 0 | 0 | 0 | 112.4 | V42 A108 L109 L110 E114 H116 | V42-S112 WeakPolarHBondContact CG2-OG 3.5Å; A108-S112 WeakPolarHBondContact O-CB 3.15Å; A108-S112 PolarHBondContact O-N 2.69Å; L109-S112 WeakPolarHBondContact O-CB 3.26Å; L109-S112 PolarHBondContact O-N 3.17Å; L110-S112 VanDerWaalsContact C-N 3.32Å; L110-S112 PolarHBondContact O-N 3.27Å; S112-E114 VanDerWaalsContact C-N 3.35Å; S112-H116 WeakPolarHBondContact O-CB 3.42Å; S112-H116 PolarHBondContact O-CD2 3.29Å; S112-H116 PolarHBondContact O-N 3.33Å; S112-H116 VanDerWaalsContact O-N 3.07Å; S112-H116 PolarHBondContact OG-CD2 2.93Å; S112-H116 VanDerWaalsContact OG-CD2 3.22Å |
| 113 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.8 | -48.2 | 171.3 | -73.3 | 167.8 | 0 | 0 | 0 | 110.5 | L12 L109 L110 K111 N117 A118 I121 A147 I149 | L12-I113 HydrophobicContact CD1-CG1 4.1Å; L109-I113 WeakPolarHBondContact O-CG1 3.44Å; L109-I113 PolarHBondContact O-N 3.24Å; L110-I113 HydrophobicContact CD2-CD1 4.25Å; L110-I113 WeakPolarHBondContact O-CB 3.22Å; L110-I113 PolarHBondContact O-N 2.9Å; K111-I113 VanDerWaalsContact C-N 3.31Å; K111-I113 PolarHBondContact O-N 3.37Å; I113-N117 PolarHBondContact O-N 3.1Å; I113-N117 VanDerWaalsContact O-N 3.15Å; I113-A118 HydrophobicContact CB-CB 4.35Å; I113-A118 HydrophobicContact CG1-CB 4.36Å; I113-A118 HydrophobicContact CG2-CB 4.22Å; I113-A118 PolarHBondContact O-N 3.35Å; I113-I121 HydrophobicContact CD1-CB 4.3Å; I113-I121 HydrophobicContact CD1-CD1 3.88Å; I113-I121 HydrophobicContact CD1-CG2 4.15Å; I113-I121 HydrophobicContact CG1-CD1 4.26Å; I113-A147 HydrophobicContact CD1-CB 4.23Å; I113-I149 HydrophobicContact CB-CD1 4.37Å; I113-I149 HydrophobicContact CD1-CD1 3.96Å; I113-I149 HydrophobicContact CD1-CG1 4.14Å; I113-I149 HydrophobicContact CG1-CD1 3.93Å; I113-I149 HydrophobicContact CG2-CD1 3.57Å; I113-I149 HydrophobicContact CG2-CG1 3.88Å; I113-I149 HydrophobicContact CG2-CG2 4.2Å |
| 114 | E | 98.5 | Very high | 98.1 | Very high | 114 Ų | 114 | 39 Ų | 39 | 53% | 0.533 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.7 | -52.7 | 178.5 | -67.1 | 173.4 | -177.6 | 0 | 0 | 111.7 | L110 K111 S112 H116 N117 | L110-E114 PolarHBondContact O-N 2.96Å; K111-E114 PolarHBondContact O-N 2.94Å; S112-E114 VanDerWaalsContact C-N 3.35Å; E114-H116 PolarHBondContact O-N 3.33Å; E114-H116 VanDerWaalsContact O-N 3.15Å; E114-N117 PolarHBondContact O-N 3.5Å |
| 115 | D | 98.5 | Very high | 98 | Very high | 83 Ų | 83 | 31.8 Ų | 31.8 | 44% | 0.444 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -59.4 | -31.3 | -176.1 | -71.7 | -17.5 | 0 | 0 | 0 | 112.6 | K111 | K111-D115 WeakPolarHBondContact CE-OD2 2.88Å; K111-D115 WeakPolarHBondContact CG-OD2 3.41Å; K111-D115 IonicContact NZ-OD1 2.77Å; K111-D115 PolarHBondContact NZ-OD1 2.91Å; K111-D115 IonicContact NZ-OD2 2.74Å; K111-D115 PolarHBondContact NZ-OD2 2.6Å; K111-D115 WeakPolarHBondContact O-CB 3.4Å; K111-D115 VanDerWaalsContact O-CG 3.26Å; K111-D115 PolarHBondContact O-N 3.04Å |
| 116 | H | 98 | Very high | 97.7 | Very high | 35 Ų | 35 | 34.2 Ų | 34.2 | 16% | 0.162 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 1.5 | 179.5 | -63.3 | -46.9 | 0 | 0 | 0 | 114.3 | V10 K40 F98 S112 E114 A118 | V10-H116 HydrophobicContact CG1-CB 4.43Å; K40-H116 HydrophobicContact CG-CB 4.45Å; F98-H116 AromaticContact CD1-CE1 3.71Å; F98-H116 AromaticContact CD1-NE2 3.79Å; F98-H116 AromaticContact CD2-NE2 3.85Å; F98-H116 AromaticContact CE1-CE1 3.43Å; F98-H116 VanDerWaalsContact CE1-CE1 3.43Å; F98-H116 WeakPolarHBondContact CE1-CE1 3.41Å; F98-H116 AromaticContact CE1-NE2 3.95Å; F98-H116 AromaticContact CE2-CE1 3.98Å; F98-H116 AromaticContact CG-NE2 3.74Å; F98-H116 AromaticContact CZ-CE1 3.58Å; S112-H116 WeakPolarHBondContact O-CB 3.42Å; S112-H116 PolarHBondContact O-CD2 3.29Å; S112-H116 PolarHBondContact O-N 3.33Å; S112-H116 VanDerWaalsContact O-N 3.07Å; S112-H116 PolarHBondContact OG-CD2 2.93Å; S112-H116 VanDerWaalsContact OG-CD2 3.22Å; E114-H116 PolarHBondContact O-N 3.33Å; E114-H116 VanDerWaalsContact O-N 3.15Å; H116-A118 PolarHBondContact O-N 3.5Å |
| 117 | N | 97.7 | Very high | 97.1 | Very high | 127 Ų | 127 | 35 Ų | 35 | 68% | 0.679 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 43.7 | -171.7 | -59.3 | -83 | 0 | 0 | 0 | 111.4 | I113 E114 N119 | I113-N117 PolarHBondContact O-N 3.1Å; I113-N117 VanDerWaalsContact O-N 3.15Å; E114-N117 PolarHBondContact O-N 3.5Å; N117-N119 PolarHBondContact O-N 3.32Å |
| 118 | A | 98.5 | Very high | 96.3 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | trans | -59.5 | 139.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110 | V10 L12 I113 H116 I149 | V10-A118 HydrophobicContact CG1-CB 4.26Å; L12-A118 HydrophobicContact CB-CB 3.94Å; L12-A118 HydrophobicContact CD1-CB 4.13Å; I113-A118 HydrophobicContact CB-CB 4.35Å; I113-A118 HydrophobicContact CG1-CB 4.36Å; I113-A118 HydrophobicContact CG2-CB 4.22Å; I113-A118 PolarHBondContact O-N 3.35Å; H116-A118 PolarHBondContact O-N 3.5Å; A118-I149 HydrophobicContact CB-CD1 3.96Å; A118-I149 WeakPolarHBondContact O-CG2 3.5Å | ||
| 119 | N | 98.3 | Very high | 95.1 | Very high | 75 Ų | 75 | 43.3 Ų | 43.3 | 40% | 0.401 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -101.4 | -17.8 | 178.7 | -52.7 | 119.7 | 0 | 0 | 0 | 112.3 | R9 V10 N117 | R9-N119 WeakPolarHBondContact CA-OD1 3.36Å; R9-N119 HydrophobicContact CB-CB 4.05Å; R9-N119 WeakPolarHBondContact CB-OD1 3.49Å; V10-N119 PolarHBondContact N-OD1 3.49Å; V10-N119 PolarHBondContact O-N 2.98Å; N117-N119 PolarHBondContact O-N 3.32Å |
| 120 | L | 98.3 | Very high | 93.6 | Very high | 13 Ų | 13 | 46.7 Ų | 46.7 | 7% | 0.068 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 139.4 | -178.8 | 178.8 | 66.9 | 0 | 0 | 0 | 108.4 | V10 V11 L12 M32 I122 P150 V152 | V10-L120 PolarHBondContact O-N 2.91Å; V11-L120 HydrophobicContact CG1-CD2 4.4Å; V11-L120 HydrophobicContact CG2-CD2 4.49Å; L12-L120 PolarHBondContact N-O 2.71Å; M32-L120 HydrophobicContact CE-CD2 3.67Å; L120-I122 HydrophobicContact CD2-CD1 3.82Å; L120-I122 HydrophobicContact CD2-CG1 3.85Å; L120-I122 HydrophobicContact CG-CD1 4.45Å; L120-I122 HydrophobicContact CG-CG1 3.93Å; L120-P150 HydrophobicContact CD1-CB 3.83Å; L120-P150 WeakPolarHBondContact CD1-O 3.44Å; L120-V152 HydrophobicContact CD1-CG2 3.92Å |
| 121 | I | 98.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 130.2 | 166.2 | -174.8 | 167 | 0 | 0 | 0 | 109.8 | L12 P14 I113 M123 V143 I149 P150 V151 V152 | L12-I121 HydrophobicContact CB-CB 4.45Å; L12-I121 HydrophobicContact CB-CG1 4.38Å; L12-I121 HydrophobicContact CD2-CD1 3.72Å; L12-I121 HydrophobicContact CD2-CG1 4.04Å; L12-I121 WeakPolarHBondContact O-CA 3.31Å; P14-I121 HydrophobicContact CG-CD1 3.78Å; P14-I121 HydrophobicContact CG-CG1 4.09Å; I113-I121 HydrophobicContact CD1-CB 4.3Å; I113-I121 HydrophobicContact CD1-CD1 3.88Å; I113-I121 HydrophobicContact CD1-CG2 4.15Å; I113-I121 HydrophobicContact CG1-CD1 4.26Å; I121-M123 HydrophobicContact CD1-CE 3.84Å; I121-M123 HydrophobicContact CG1-CE 4.32Å; I121-V143 HydrophobicContact CD1-CG1 4Å; I121-V143 HydrophobicContact CG2-CG1 4.21Å; I121-I149 HydrophobicContact CB-CD1 4.19Å; I121-I149 HydrophobicContact CG2-CD1 4.17Å; I121-I149 HydrophobicContact CG2-CG1 4.34Å; I121-P150 PolarHBondContact N-O 2.85Å; I121-P150 VanDerWaalsContact N-O 3.15Å; I121-V151 HydrophobicContact CG2-CB 4.14Å; I121-V151 HydrophobicContact CG2-CG1 4.11Å; I121-V151 HydrophobicContact CG2-CG2 3.75Å; I121-V152 PolarHBondContact O-N 2.84Å |
| 122 | I | 98.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124.8 | 177.7 | -52.6 | 177.8 | 0 | 0 | 0 | 107.3 | V11 L12 L13 P14 A24 W27 Y28 L120 V152 V154 | V11-I122 HydrophobicContact CG1-CD1 3.68Å; V11-I122 HydrophobicContact CG1-CG1 4Å; L12-I122 PolarHBondContact O-N 3.37Å; L13-I122 HydrophobicContact CD2-CB 3.9Å; L13-I122 HydrophobicContact CD2-CG2 4.13Å; L13-I122 WeakPolarHBondContact CD2-O 3.03Å; L13-I122 HydrophobicContact CG-CB 4.26Å; P14-I122 WeakPolarHBondContact CD-O 3.49Å; A24-I122 HydrophobicContact CB-CG2 4.36Å; W27-I122 HydrophobicContact CE3-CG2 4.17Å; W27-I122 HydrophobicContact CZ3-CD1 4.25Å; W27-I122 HydrophobicContact CZ3-CG2 4.49Å; Y28-I122 HydrophobicContact CD2-CD1 3.63Å; Y28-I122 HydrophobicContact CG-CD1 4.09Å; L120-I122 HydrophobicContact CD2-CD1 3.82Å; L120-I122 HydrophobicContact CD2-CG1 3.85Å; L120-I122 HydrophobicContact CG-CD1 4.45Å; L120-I122 HydrophobicContact CG-CG1 3.93Å; I122-V152 WeakPolarHBondContact CA-O 3.4Å; I122-V152 HydrophobicContact CB-CB 4.4Å; I122-V152 HydrophobicContact CG1-CB 4.14Å; I122-V152 HydrophobicContact CG1-CG2 4.48Å; I122-V152 HydrophobicContact CG2-CB 4.21Å; I122-V152 HydrophobicContact CG2-CG1 4.13Å; I122-V154 HydrophobicContact CG2-CG2 4.09Å |
| 123 | M | 98 | Very high | 89.8 | Confident | 6 Ų | 6 | 69.7 Ų | 69.7 | 3% | 0.03 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 154.7 | -176.6 | 53.3 | 170.2 | 41.1 | 0 | 0 | 112.3 | P14 L109 I121 S140 V143 V152 I153 V154 | P14-M123 HydrophobicContact CG-CB 4.16Å; P14-M123 HydrophobicContact CG-CE 3.8Å; L109-M123 HydrophobicContact CD1-CE 3.99Å; I121-M123 HydrophobicContact CD1-CE 3.84Å; I121-M123 HydrophobicContact CG1-CE 4.32Å; M123-S140 WeakPolarHBondContact SD-CA 3.49Å; M123-S140 VanDerWaalsContact SD-CB 3.53Å; M123-V143 HydrophobicContact CE-CB 3.83Å; M123-V143 HydrophobicContact CE-CG1 3.76Å; M123-V143 HydrophobicContact CE-CG2 3.9Å; M123-V143 HydrophobicContact SD-CB 4.2Å; M123-V143 HydrophobicContact SD-CG1 4.19Å; M123-V152 PolarHBondContact N-O 3.18Å; M123-I153 HydrophobicContact CG-CD1 3.43Å; M123-I153 VanDerWaalsContact CG-CD1 3.43Å; M123-I153 HydrophobicContact SD-CD1 3.47Å; M123-I153 WeakPolarHBondContact SD-CD1 3.31Å; M123-V154 PolarHBondContact O-N 2.81Å |
| 124 | G | 96.7 | Very high | 88.7 | Confident | 9 Ų | 9 | 72.8 Ų | 72.8 | 9% | 0.093 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 148 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | R126 | G124-R126 PolarHBondContact O-N 3.38Å |
| 125 | S | 93.7 | Very high | 87.8 | Confident | 5 Ų | 5 | 76.9 Ų | 76.9 | 4% | 0.035 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -67.1 | -20.5 | 177.3 | 75.4 | 0 | 0 | 0 | 0 | 113 | G137 S140 V154 P156 | S125-G137 PolarHBondContact O-N 2.91Å; S125-S140 PolarHBondContact O-OG 3.25Å; S125-V154 PolarHBondContact N-O 3.23Å; S125-P156 WeakPolarHBondContact OG-CD 3.41Å |
| 126 | R | 89.8 | Confident | 87.2 | Confident | 69 Ų | 69 | 74.8 Ų | 74.8 | 26% | 0.26 | 37% | 0.373 | S | S | . | . | trans | -137.4 | 161.8 | 179.2 | -60.1 | -178.4 | -58.3 | -171.5 | 3.9 | 110.1 | H20 G124 I130 P156 | H20-R126 WeakPolarHBondContact CB-O 3.41Å; H20-R126 PolarHBondContact CE1-NH2 3.09Å; H20-R126 PolarHBondContact NE2-NE 3.17Å; H20-R126 PolarHBondContact NE2-NH2 2.88Å; G124-R126 PolarHBondContact O-N 3.38Å; R126-I130 HydrophobicContact CB-CD1 4.22Å; R126-I130 HydrophobicContact CB-CG1 4.15Å; R126-P156 VanDerWaalsContact CZ-CG 3.45Å; R126-P156 VanDerWaalsContact NH2-CG 3.26Å | ||
| 127 | G | 85.7 | Confident | 86.9 | Confident | 22 Ų | 22 | 73.9 Ų | 73.9 | 23% | 0.227 | 37% | 0.373 | C | S | . | . | trans | -120.7 | -146 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D16 I130 | D16-G127 WeakPolarHBondContact OD2-CA 3.38Å; G127-I130 VanDerWaalsContact O-CG1 3.22Å; G127-I130 WeakPolarHBondContact O-CG1 3.46Å | ||
| 128 | L | 81.7 | Confident | 86.7 | Confident | 130 Ų | 130 | 72.7 Ų | 72.7 | 68% | 0.681 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -67.9 | -31.2 | 179.7 | -65.3 | 176.5 | 0 | 0 | 0 | 115.4 | D16 I130 | D16-L128 VanDerWaalsContact O-CD1 3.26Å; D16-L128 WeakPolarHBondContact O-CD1 3.5Å; D16-L128 WeakPolarHBondContact O-CG 3.49Å; D16-L128 PolarHBondContact OD2-N 3.15Å; D16-L128 VanDerWaalsContact OD2-N 3.15Å; L128-I130 PolarHBondContact O-N 2.93Å |
| 129 | G | 73.2 | Confident | 86.6 | Confident | 74 Ų | 74 | 74.7 Ų | 74.7 | 76% | 0.763 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -90.9 | 37.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 117 | L131 | G129-L131 PolarHBondContact O-N 3.44Å; G129-L131 VanDerWaalsContact O-N 3.17Å |
| 130 | I | 66.5 | Low | 86.5 | Confident | 76 Ų | 76 | 71.4 Ų | 71.4 | 39% | 0.39 | 37% | 0.369 | S | S | . | . | trans | -63.3 | 116 | -162.2 | -55.2 | 177 | 0 | 0 | 0 | 114 | R126 G127 L128 | R126-I130 HydrophobicContact CB-CD1 4.22Å; R126-I130 HydrophobicContact CB-CG1 4.15Å; G127-I130 VanDerWaalsContact O-CG1 3.22Å; G127-I130 WeakPolarHBondContact O-CG1 3.46Å; L128-I130 PolarHBondContact O-N 2.93Å | ||
| 131 | L | 70.3 | Confident | 86.3 | Confident | 125 Ų | 125 | 74.2 Ų | 74.2 | 65% | 0.654 | 38% | 0.384 | S | S | * | . | trans | -82.7 | 129.7 | 163 | -63.3 | 174 | 0 | 0 | 0 | 109.9 | G129 R133 T134 | G129-L131 PolarHBondContact O-N 3.44Å; G129-L131 VanDerWaalsContact O-N 3.17Å; L131-R133 PolarHBondContact O-N 3.23Å; L131-T134 PolarHBondContact O-N 3.37Å | ||
| 132 | R | 70.3 | Confident | 86.3 | Confident | 258 Ų | 258 | 78.5 Ų | 78.5 | 97% | 0.974 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -9.6 | -173.5 | -71.6 | -169.4 | 177.7 | -167.7 | 0.1 | 115.9 | ||
| 133 | R | 75.2 | Confident | 86.3 | Confident | 238 Ų | 238 | 78.5 Ų | 78.5 | 90% | 0.898 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | -0.8 | -169.9 | -157.7 | 171.1 | -80.9 | 178.7 | -4.6 | 114.5 | L131 | L131-R133 PolarHBondContact O-N 3.23Š|
| 134 | T | 76 | Confident | 86.3 | Confident | 66 Ų | 66 | 82 Ų | 82 | 41% | 0.405 | 42% | 0.419 | S | S | . | . | trans | -109.7 | 138.2 | -179 | 65.9 | 0 | 0 | 0 | 0 | 112.2 | L131 L136 | L131-T134 PolarHBondContact O-N 3.37Å; T134-L136 VanDerWaalsContact CB-O 3.32Å; T134-L136 WeakPolarHBondContact CB-O 3.43Å; T134-L136 PolarHBondContact OG1-O 3.49Å; T134-L136 VanDerWaalsContact OG1-O 3.08Å | ||
| 135 | F | 79.8 | Confident | 86.3 | Confident | 200 Ų | 200 | 87.7 Ų | 87.7 | 88% | 0.877 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -75.9 | -34.1 | 172.5 | -68.1 | -75.2 | 0 | 0 | 0 | 112 | ||
| 136 | L | 86.6 | Confident | 86.6 | Confident | 39 Ų | 39 | 92.3 Ų | 92.3 | 20% | 0.204 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -117 | 143.1 | -179.6 | -157 | 58.5 | 0 | 0 | 0 | 110 | T134 S140 D141 L144 I153 | T134-L136 VanDerWaalsContact CB-O 3.32Å; T134-L136 WeakPolarHBondContact CB-O 3.43Å; T134-L136 PolarHBondContact OG1-O 3.49Å; T134-L136 VanDerWaalsContact OG1-O 3.08Å; L136-S140 VanDerWaalsContact CD1-OG 3.32Å; L136-S140 WeakPolarHBondContact CD1-OG 3.33Å; L136-S140 WeakPolarHBondContact CG-OG 3.26Å; L136-D141 HydrophobicContact CB-CB 4.39Å; L136-D141 HydrophobicContact CD2-CB 3.65Å; L136-D141 HydrophobicContact CG-CB 3.89Å; L136-L144 HydrophobicContact CD2-CD2 3.87Å; L136-I153 HydrophobicContact CD1-CG2 3.69Å |
| 137 | G | 91.2 | Very high | 87 | Confident | 16 Ų | 16 | 90.1 Ų | 90.1 | 17% | 0.165 | 46% | 0.461 | C | S | . | . | trans | -79.2 | 157.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | S125 V139 S140 D141 | S125-G137 PolarHBondContact O-N 2.91Å; G137-V139 VanDerWaalsContact C-N 3.28Å; G137-V139 PolarHBondContact O-N 3.29Å; G137-S140 PolarHBondContact N-OG 3.37Å; G137-S140 PolarHBondContact O-N 2.96Å; G137-S140 PolarHBondContact O-OG 2.87Å; G137-D141 VanDerWaalsContact O-CB 3.24Å; G137-D141 WeakPolarHBondContact O-CB 3.46Å; G137-D141 PolarHBondContact O-N 2.94Å | ||
| 138 | S | 93.1 | Very high | 87.6 | Confident | 101 Ų | 101 | 95.1 Ų | 95.1 | 71% | 0.706 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -56.1 | -41.3 | -177.9 | 52.7 | 0 | 0 | 0 | 0 | 113.1 | Y142 | S138-Y142 VanDerWaalsContact O-CB 3.28Å; S138-Y142 WeakPolarHBondContact O-CB 3.37Å; S138-Y142 PolarHBondContact O-N 3.03Å |
| 139 | V | 96 | Very high | 88.4 | Confident | 47 Ų | 47 | 90 Ų | 90 | 29% | 0.285 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -71.2 | -44.5 | -178.5 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | P105 L109 G137 Y142 V143 | P105-V139 HydrophobicContact CB-CG1 4.2Å; P105-V139 HydrophobicContact CB-CG2 3.88Å; P105-V139 HydrophobicContact CG-CG2 4.48Å; L109-V139 HydrophobicContact CD1-CG1 3.67Å; G137-V139 VanDerWaalsContact C-N 3.28Å; G137-V139 PolarHBondContact O-N 3.29Å; V139-Y142 PolarHBondContact O-N 3.5Å; V139-V143 WeakPolarHBondContact O-CG2 3.43Å; V139-V143 PolarHBondContact O-N 3.17Å |
| 140 | S | 96.1 | Very high | 89.6 | Confident | 6 Ų | 6 | 90.6 Ų | 90.6 | 4% | 0.042 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -69.4 | -37.1 | -179.9 | 46.6 | 0 | 0 | 0 | 0 | 112 | M123 S125 L136 G137 L144 | M123-S140 WeakPolarHBondContact SD-CA 3.49Å; M123-S140 VanDerWaalsContact SD-CB 3.53Å; S125-S140 PolarHBondContact O-OG 3.25Å; L136-S140 VanDerWaalsContact CD1-OG 3.32Å; L136-S140 WeakPolarHBondContact CD1-OG 3.33Å; L136-S140 WeakPolarHBondContact CG-OG 3.26Å; G137-S140 PolarHBondContact N-OG 3.37Å; G137-S140 PolarHBondContact O-N 2.96Å; G137-S140 PolarHBondContact O-OG 2.87Å; S140-L144 VanDerWaalsContact O-CB 3.24Å; S140-L144 WeakPolarHBondContact O-CB 3.19Å; S140-L144 PolarHBondContact O-N 2.81Å |
| 141 | D | 95.9 | Very high | 91.1 | Very high | 71 Ų | 71 | 88.6 Ų | 88.6 | 38% | 0.38 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 171.6 | -173.5 | 77.6 | 0 | 0 | 0 | 111.8 | L136 G137 V143 L144 H145 | L136-D141 HydrophobicContact CB-CB 4.39Å; L136-D141 HydrophobicContact CD2-CB 3.65Å; L136-D141 HydrophobicContact CG-CB 3.89Å; G137-D141 VanDerWaalsContact O-CB 3.24Å; G137-D141 WeakPolarHBondContact O-CB 3.46Å; G137-D141 PolarHBondContact O-N 2.94Å; D141-V143 PolarHBondContact O-N 2.84Å; D141-L144 PolarHBondContact O-N 3.43Å; D141-H145 PolarHBondContact O-N 2.98Å; D141-H145 PolarHBondContact O-ND1 3.48Å; D141-H145 IonicContact OD1-CE1 3.3Å; D141-H145 PolarHBondContact OD1-CE1 3.41Å; D141-H145 VanDerWaalsContact OD1-CE1 3.3Å; D141-H145 IonicContact OD1-ND1 3.69Å; D141-H145 IonicContact OD2-CE1 3.87Å; D141-H145 IonicContact OD2-ND1 3.72Å |
| 142 | Y | 98 | Very high | 92.5 | Very high | 90 Ų | 90 | 84.2 Ų | 84.2 | 35% | 0.353 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 177.7 | -172.8 | -90.7 | 0 | 0 | 0 | 112 | G106 A107 L110 S138 V139 L144 H145 H146 | G106-Y142 VanDerWaalsContact C-CD1 3.48Å; G106-Y142 VanDerWaalsContact CA-CD1 3.49Å; A107-Y142 HydrophobicContact CB-CE1 4.33Å; L110-Y142 HydrophobicContact CD1-CD1 4.28Å; L110-Y142 HydrophobicContact CD1-CE1 3.6Å; L110-Y142 HydrophobicContact CG-CE1 4.37Å; S138-Y142 VanDerWaalsContact O-CB 3.28Å; S138-Y142 WeakPolarHBondContact O-CB 3.37Å; S138-Y142 PolarHBondContact O-N 3.03Å; V139-Y142 PolarHBondContact O-N 3.5Å; Y142-L144 PolarHBondContact O-N 3.48Å; Y142-H145 PolarHBondContact O-N 2.94Å; Y142-H146 AromaticContact CD2-CE1 3.79Å; Y142-H146 AromaticContact CD2-ND1 3.86Å; Y142-H146 AromaticContact CE2-CE1 3.64Å; Y142-H146 AromaticContact CE2-ND1 3.88Å; Y142-H146 AromaticContact CG-ND1 4Å; Y142-H146 PolarHBondContact O-N 3.25Å; Y142-H146 PolarHBondContact O-ND1 3.46Å |
| 143 | V | 98.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64 | -42.1 | 179 | 168.3 | 0 | 0 | 0 | 0 | 111.5 | L109 I121 M123 V139 D141 H145 H146 A147 V151 | L109-V143 HydrophobicContact CB-CG2 4.03Å; L109-V143 HydrophobicContact CD1-CG2 4.08Å; I121-V143 HydrophobicContact CD1-CG1 4Å; I121-V143 HydrophobicContact CG2-CG1 4.21Å; M123-V143 HydrophobicContact CE-CB 3.83Å; M123-V143 HydrophobicContact CE-CG1 3.76Å; M123-V143 HydrophobicContact CE-CG2 3.9Å; M123-V143 HydrophobicContact SD-CB 4.2Å; M123-V143 HydrophobicContact SD-CG1 4.19Å; V139-V143 WeakPolarHBondContact O-CG2 3.43Å; V139-V143 PolarHBondContact O-N 3.17Å; D141-V143 PolarHBondContact O-N 2.84Å; V143-H145 PolarHBondContact O-N 2.97Å; V143-H146 PolarHBondContact O-N 3Å; V143-A147 HydrophobicContact CG1-CB 4.18Å; V143-A147 VanDerWaalsContact O-CB 3.22Å; V143-A147 WeakPolarHBondContact O-CB 3.44Å; V143-A147 PolarHBondContact O-N 3.33Å; V143-V151 HydrophobicContact CG1-CG1 4.46Å; V143-V151 HydrophobicContact CG1-CG2 4.41Å |
| 144 | L | 97.8 | Very high | 94.9 | Very high | 79 Ų | 79 | 63 Ų | 63 | 41% | 0.414 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.4 | -37.7 | 179.1 | -179.4 | 63.8 | 0 | 0 | 0 | 112.5 | L136 S140 D141 Y142 V151 I153 | L136-L144 HydrophobicContact CD2-CD2 3.87Å; S140-L144 VanDerWaalsContact O-CB 3.24Å; S140-L144 WeakPolarHBondContact O-CB 3.19Å; S140-L144 PolarHBondContact O-N 2.81Å; D141-L144 PolarHBondContact O-N 3.43Å; Y142-L144 PolarHBondContact O-N 3.48Å; L144-V151 HydrophobicContact CD1-CB 4.19Å; L144-V151 HydrophobicContact CD1-CG1 4.17Å; L144-I153 HydrophobicContact CD1-CG1 4.37Å |
| 145 | H | 98.1 | Very high | 95.7 | Very high | 129 Ų | 129 | 63.4 Ų | 63.4 | 60% | 0.597 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -84.4 | -18.9 | -178.1 | -70.4 | 95.3 | 0 | 0 | 0 | 114.7 | D141 Y142 V143 | D141-H145 PolarHBondContact O-N 2.98Å; D141-H145 PolarHBondContact O-ND1 3.48Å; D141-H145 IonicContact OD1-CE1 3.3Å; D141-H145 PolarHBondContact OD1-CE1 3.41Å; D141-H145 VanDerWaalsContact OD1-CE1 3.3Å; D141-H145 IonicContact OD1-ND1 3.69Å; D141-H145 IonicContact OD2-CE1 3.87Å; D141-H145 IonicContact OD2-ND1 3.72Å; Y142-H145 PolarHBondContact O-N 2.94Å; V143-H145 PolarHBondContact O-N 2.97Å |
| 146 | H | 98.6 | Very high | 96.2 | Very high | 103 Ų | 103 | 55.6 Ų | 55.6 | 48% | 0.477 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -123.3 | -11.8 | -168.9 | -61.4 | 90.1 | 0 | 0 | 0 | 114.4 | L110 Y142 V143 | L110-H146 HydrophobicContact CD1-CB 3.44Å; L110-H146 VanDerWaalsContact CD1-CB 3.44Å; L110-H146 HydrophobicContact CD2-CB 4.23Å; L110-H146 HydrophobicContact CG-CB 4.46Å; Y142-H146 AromaticContact CD2-CE1 3.79Å; Y142-H146 AromaticContact CD2-ND1 3.86Å; Y142-H146 AromaticContact CE2-CE1 3.64Å; Y142-H146 AromaticContact CE2-ND1 3.88Å; Y142-H146 AromaticContact CG-ND1 4Å; Y142-H146 PolarHBondContact O-N 3.25Å; Y142-H146 PolarHBondContact O-ND1 3.46Å; V143-H146 PolarHBondContact O-N 3Å |
| 147 | A | 98.6 | Very high | 96 | Very high | 22 Ų | 22 | 65.4 Ų | 65.4 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | trans | -69.2 | 134.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | L110 I113 V143 I149 V151 | L110-A147 HydrophobicContact CD2-CB 3.98Å; I113-A147 HydrophobicContact CD1-CB 4.23Å; V143-A147 HydrophobicContact CG1-CB 4.18Å; V143-A147 VanDerWaalsContact O-CB 3.22Å; V143-A147 WeakPolarHBondContact O-CB 3.44Å; V143-A147 PolarHBondContact O-N 3.33Å; A147-I149 VanDerWaalsContact C-N 3.26Å; A147-I149 HydrophobicContact CB-CG1 4.42Å; A147-V151 HydrophobicContact CB-CG2 3.58Å | ||
| 148 | H | 98.1 | Very high | 96.3 | Very high | 128 Ų | 128 | 67.9 Ų | 67.9 | 59% | 0.593 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -87 | 4.5 | 173.8 | 65 | -92.5 | 0 | 0 | 0 | 113 | ||
| 149 | I | 98.6 | Very high | 96.4 | Very high | 22 Ų | 22 | 66.2 Ų | 66.2 | 11% | 0.113 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -120.1 | 160.9 | 178.9 | 62.3 | 166.2 | 0 | 0 | 0 | 110.8 | I113 A118 I121 A147 V151 | I113-I149 HydrophobicContact CB-CD1 4.37Å; I113-I149 HydrophobicContact CD1-CD1 3.96Å; I113-I149 HydrophobicContact CD1-CG1 4.14Å; I113-I149 HydrophobicContact CG1-CD1 3.93Å; I113-I149 HydrophobicContact CG2-CD1 3.57Å; I113-I149 HydrophobicContact CG2-CG1 3.88Å; I113-I149 HydrophobicContact CG2-CG2 4.2Å; A118-I149 HydrophobicContact CB-CD1 3.96Å; A118-I149 WeakPolarHBondContact O-CG2 3.5Å; I121-I149 HydrophobicContact CB-CD1 4.19Å; I121-I149 HydrophobicContact CG2-CD1 4.17Å; I121-I149 HydrophobicContact CG2-CG1 4.34Å; A147-I149 VanDerWaalsContact C-N 3.26Å; A147-I149 HydrophobicContact CB-CG1 4.42Å; I149-V151 WeakPolarHBondContact O-CG2 3.48Å; I149-V151 PolarHBondContact O-N 3.27Å |
| 150 | P | 98.5 | Very high | 96.5 | Very high | 86 Ų | 86 | 67.2 Ų | 67.2 | 56% | 0.558 | 34% | 0.343 | S | S | * | . | trans | -52.5 | 135.9 | 171.9 | -27.6 | 35.8 | 0 | 0 | 0 | 112.6 | L120 I121 | L120-P150 HydrophobicContact CD1-CB 3.83Å; L120-P150 WeakPolarHBondContact CD1-O 3.44Å; I121-P150 PolarHBondContact N-O 2.85Å; I121-P150 VanDerWaalsContact N-O 3.15Å | ||
| 151 | V | 98.7 | Very high | 96.5 | Very high | 35 Ų | 35 | 70.8 Ų | 70.8 | 21% | 0.212 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 125.7 | 179.6 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | I121 V143 L144 A147 I149 I153 | I121-V151 HydrophobicContact CG2-CB 4.14Å; I121-V151 HydrophobicContact CG2-CG1 4.11Å; I121-V151 HydrophobicContact CG2-CG2 3.75Å; V143-V151 HydrophobicContact CG1-CG1 4.46Å; V143-V151 HydrophobicContact CG1-CG2 4.41Å; L144-V151 HydrophobicContact CD1-CB 4.19Å; L144-V151 HydrophobicContact CD1-CG1 4.17Å; A147-V151 HydrophobicContact CB-CG2 3.58Å; I149-V151 WeakPolarHBondContact O-CG2 3.48Å; I149-V151 PolarHBondContact O-N 3.27Å; V151-I153 HydrophobicContact CG1-CD1 3.52Å; V151-I153 HydrophobicContact CG1-CG1 4.05Å |
| 152 | V | 98.5 | Very high | 96.5 | Very high | 32 Ų | 32 | 70.8 Ų | 70.8 | 19% | 0.194 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 117 | 170.5 | 176.5 | 0 | 0 | 0 | 0 | 108.9 | W27 L120 I121 I122 M123 V154 | W27-V152 HydrophobicContact CE3-CG1 4.07Å; W27-V152 HydrophobicContact CH2-CG1 3.81Å; W27-V152 HydrophobicContact CH2-CG2 4.44Å; W27-V152 HydrophobicContact CZ2-CG1 4.36Å; W27-V152 HydrophobicContact CZ3-CB 4.49Å; W27-V152 HydrophobicContact CZ3-CG1 3.65Å; W27-V152 HydrophobicContact CZ3-CG2 4.44Å; L120-V152 HydrophobicContact CD1-CG2 3.92Å; I121-V152 PolarHBondContact O-N 2.84Å; I122-V152 WeakPolarHBondContact CA-O 3.4Å; I122-V152 HydrophobicContact CB-CB 4.4Å; I122-V152 HydrophobicContact CG1-CB 4.14Å; I122-V152 HydrophobicContact CG1-CG2 4.48Å; I122-V152 HydrophobicContact CG2-CB 4.21Å; I122-V152 HydrophobicContact CG2-CG1 4.13Å; M123-V152 PolarHBondContact N-O 3.18Å; V152-V154 HydrophobicContact CG1-CG2 4.1Å |
| 153 | I | 98 | Very high | 96.4 | Very high | 47 Ų | 47 | 69.5 Ų | 69.5 | 24% | 0.241 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 116.8 | 174.2 | -56.1 | -55.6 | 0 | 0 | 0 | 109.1 | M123 L136 L144 V151 | M123-I153 HydrophobicContact CG-CD1 3.43Å; M123-I153 VanDerWaalsContact CG-CD1 3.43Å; M123-I153 HydrophobicContact SD-CD1 3.47Å; M123-I153 WeakPolarHBondContact SD-CD1 3.31Å; L136-I153 HydrophobicContact CD1-CG2 3.69Å; L144-I153 HydrophobicContact CD1-CG1 4.37Å; V151-I153 HydrophobicContact CG1-CD1 3.52Å; V151-I153 HydrophobicContact CG1-CG1 4.05Å |
| 154 | V | 97.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.024 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 115.1 | 178.9 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | R23 A24 W27 I122 M123 S125 V152 | R23-V154 HydrophobicContact CG-CG1 3.91Å; A24-V154 HydrophobicContact CB-CB 4.15Å; A24-V154 HydrophobicContact CB-CG2 4.07Å; W27-V154 HydrophobicContact CB-CG1 4.01Å; W27-V154 HydrophobicContact CB-CG2 4Å; W27-V154 HydrophobicContact CD2-CG2 4.1Å; W27-V154 HydrophobicContact CE3-CG2 4.27Å; W27-V154 HydrophobicContact CG-CG1 4.26Å; W27-V154 HydrophobicContact CG-CG2 3.97Å; I122-V154 HydrophobicContact CG2-CG2 4.09Å; M123-V154 PolarHBondContact O-N 2.81Å; S125-V154 PolarHBondContact N-O 3.23Å; V152-V154 HydrophobicContact CG1-CG2 4.1Å |
| 155 | P | 93.9 | Very high | 96.1 | Very high | 75 Ų | 75 | 74.2 Ų | 74.2 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | trans | -69.1 | 170.7 | -177.2 | 30.2 | -36.1 | 0 | 0 | 0 | 111.8 | R23 | R23-P155 WeakPolarHBondContact CD-O 3.34Å; R23-P155 PolarHBondContact NE-O 2.77Å | ||
| 156 | P | 89.6 | Confident | 96 | Very high | 36 Ų | 36 | 69.6 Ų | 69.6 | 23% | 0.234 | 37% | 0.365 | C | S | . | . | trans | -56.2 | 173.2 | 169.4 | -24.1 | 38.8 | 0 | 0 | 0 | 112.7 | R23 S125 R126 | R23-P156 PolarHBondContact NE-O 3.07Å; R23-P156 PolarHBondContact NH2-O 2.88Å; R23-P156 VanDerWaalsContact NH2-O 3.07Å; S125-P156 WeakPolarHBondContact OG-CD 3.41Å; R126-P156 VanDerWaalsContact CZ-CG 3.45Å; R126-P156 VanDerWaalsContact NH2-CG 3.26Å | ||
| 157 | K | 83.4 | Confident | 95.7 | Very high | 245 Ų | 245 | 66.5 Ų | 66.5 | 100% | 1.065 | 36% | 0.355 | S | S | * | . | trans | -69.5 | 0 | 164.9 | -78.9 | -173.1 | 178 | 177.2 | 0 | 110.6 |
Retrieved 157 of 157 residues in 79.1 ms
(Link to these results)