| 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 | 36.7 | Very low | 51.5 | Low | 234 Ų | 234 | 115.7 Ų | 115.7 | 100% | 1.153 | 65% | 0.648 | S | S | * | * | 0 | 98.3 | 0 | -72.4 | -141.2 | 179.2 | 0 | 0 | 105.7 | A3 | M1-A3 PolarHBondContact O-N 3.13Š| |||
| 2 | D | 39.4 | Very low | 52.5 | Low | 148 Ų | 148 | 116.9 Ų | 116.9 | 79% | 0.791 | 64% | 0.644 | S | S | * | * | trans | -81.5 | 91.8 | -166.9 | -60.3 | -31.9 | 0 | 0 | 0 | 109.8 | H4 | D2-H4 PolarHBondContact O-N 3.23Å; D2-H4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | A | 51.6 | Low | 53.9 | Low | 84 Ų | 84 | 119.5 Ų | 119.5 | 69% | 0.694 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -1.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | M1 | M1-A3 PolarHBondContact O-N 3.13Š|
| 4 | H | 50.2 | Low | 55.5 | Low | 126 Ų | 126 | 114.2 Ų | 114.2 | 58% | 0.583 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | 6.3 | -175.9 | -60.2 | -84.7 | 0 | 0 | 0 | 113.9 | D2 D35 K51 | D2-H4 PolarHBondContact O-N 3.23Å; D2-H4 VanDerWaalsContact O-N 3.09Å; H4-D35 IonicContact CG-OD1 3.94Å; H4-D35 IonicContact ND1-OD1 2.98Å; H4-D35 PolarHBondContact ND1-OD1 2.89Å; H4-K51 PolarHBondContact O-NZ 3.39Å |
| 5 | A | 49.7 | Very low | 56.6 | Low | 64 Ų | 64 | 111.5 Ų | 111.5 | 53% | 0.529 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -79 | -19 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 6 | T | 51.9 | Low | 58.2 | Low | 132 Ų | 132 | 113.9 Ų | 113.9 | 81% | 0.81 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -8.5 | -157 | -34.9 | 0 | 0 | 0 | 0 | 116.3 | ||
| 7 | S | 58 | Low | 59.4 | Low | 96 Ų | 96 | 113.9 Ų | 113.9 | 67% | 0.671 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 15.6 | -164.7 | -165 | 0 | 0 | 0 | 0 | 116.7 | ||
| 8 | V | 54.1 | Low | 59.9 | Low | 53 Ų | 53 | 112.2 Ų | 112.2 | 32% | 0.321 | 61% | 0.613 | S | S | . | * | trans | -99.1 | 94.3 | 172 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | F28 K51 | V8-F28 HydrophobicContact CB-CE1 4.11Å; V8-F28 HydrophobicContact CG1-CD1 4.21Å; V8-F28 HydrophobicContact CG1-CE1 3.74Å; V8-F28 HydrophobicContact CG1-CE2 4.42Å; V8-F28 HydrophobicContact CG1-CZ 3.83Å; V8-F28 HydrophobicContact CG2-CD1 4.3Å; V8-F28 HydrophobicContact CG2-CE1 4.27Å; V8-K51 HydrophobicContact CG2-CD 4.1Å | ||
| 9 | M | 57.7 | Low | 60.4 | Low | 125 Ų | 125 | 109.9 Ų | 109.9 | 62% | 0.616 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 136.1 | 176.6 | -159 | 179.7 | 92.3 | 0 | 0 | 109.3 | F11 F28 | M9-F11 PolarHBondContact O-N 3.3Å; M9-F28 WeakPolarHBondContact O-CZ 3.41Å |
| 10 | E | 54.6 | Low | 61.2 | Low | 111 Ų | 111 | 106.3 Ų | 106.3 | 52% | 0.519 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -54.9 | 130.7 | -179.4 | -159.2 | 175.9 | -171.4 | 0 | 0 | 110.9 | R59 | E10-R59 WeakPolarHBondContact OE1-CD 3.38Å; E10-R59 IonicContact OE1-CZ 3.95Å; E10-R59 IonicContact OE1-NE 2.71Å; E10-R59 IonicContact OE1-NH1 3.46Å; E10-R59 PolarHBondContact OE1-NH1 2.78Å; E10-R59 IonicContact OE2-NH1 3.7Å |
| 11 | F | 62.5 | Low | 61.8 | Low | 100 Ų | 100 | 107.7 Ų | 107.7 | 44% | 0.439 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -102.9 | 135.8 | 177.9 | 88.6 | -91.6 | 0 | 0 | 0 | 110.4 | M9 C24 | M9-F11 PolarHBondContact O-N 3.3Å; F11-C24 WeakPolarHBondContact CB-SG 3.47Å; F11-C24 VanDerWaalsContact CG-SG 3.53Å |
| 12 | E | 63.5 | Low | 63.6 | Low | 130 Ų | 130 | 102.8 Ų | 102.8 | 61% | 0.607 | 56% | 0.56 | S | S | * | * | trans | -110.9 | 117.2 | 172.7 | -170.5 | 153.9 | -128.5 | 0 | 0 | 107.9 | D14 I19 R59 | E12-D14 PolarHBondContact O-N 2.92Å; E12-I19 WeakPolarHBondContact O-CG2 3.39Å; E12-R59 IonicContact OE1-NH2 3.76Å; E12-R59 PolarHBondContact OE1-NH2 3.48Å | ||
| 13 | Y | 70.6 | Confident | 65.1 | Low | 150 Ų | 150 | 99.1 Ų | 99.1 | 59% | 0.588 | 54% | 0.543 | S | S | * | . | trans | -67.3 | 114.9 | -178.8 | 178.2 | -96.2 | 0 | 0 | 0 | 109.9 | P15 | Y13-P15 HydrophobicContact CE1-CB 4.48Å; Y13-P15 HydrophobicContact CE1-CG 4.01Å | ||
| 14 | D | 76 | Confident | 65.8 | Low | 46 Ų | 46 | 96 Ų | 96 | 25% | 0.246 | 52% | 0.515 | C | S | . | . | B | Isolated β-bridge | trans | -141.4 | 97.3 | 178.3 | -177.8 | -5.4 | 0 | 0 | 0 | 109.1 | E12 D16 N17 S18 I19 | E12-D14 PolarHBondContact O-N 2.92Å; D14-D16 VanDerWaalsContact C-N 3.27Å; D14-D16 PolarHBondContact O-N 3.42Å; D14-D16 PolarHBondContact OD1-N 3.15Å; D14-N17 HydrophobicContact CB-CB 4.48Å; D14-N17 PolarHBondContact O-N 3.5Å; D14-N17 PolarHBondContact OD1-N 3.02Å; D14-N17 WeakPolarHBondContact OD2-CB 3.49Å; D14-N17 PolarHBondContact OD2-ND2 3.05Å; D14-S18 PolarHBondContact O-N 2.87Å; D14-I19 HydrophobicContact CB-CB 4.15Å; D14-I19 HydrophobicContact CB-CD1 4.21Å; D14-I19 HydrophobicContact CB-CG1 4.35Å; D14-I19 PolarHBondContact N-O 2.93Å; D14-I19 VanDerWaalsContact N-O 3.13Å; D14-I19 CarbonylContact O-C 3.47Å; D14-I19 WeakPolarHBondContact O-CA 3.34Å; D14-I19 WeakPolarHBondContact O-CB 3.13Å; D14-I19 PolarHBondContact O-N 3.2Å |
| 15 | P | 72.8 | Confident | 66.8 | Low | 73 Ų | 73 | 94.1 Ų | 94.1 | 47% | 0.474 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -25.5 | -177.6 | 28.6 | -32.9 | 0 | 0 | 0 | 112.7 | Y13 N17 S18 | Y13-P15 HydrophobicContact CE1-CB 4.48Å; Y13-P15 HydrophobicContact CE1-CG 4.01Å; P15-N17 VanDerWaalsContact C-N 3.33Å; P15-S18 PolarHBondContact O-N 3.24Å |
| 16 | D | 81.6 | Confident | 68 | Low | 151 Ų | 151 | 97.5 Ų | 97.5 | 81% | 0.807 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -30.1 | -178.1 | -63 | -33 | 0 | 0 | 0 | 110.9 | D14 | D14-D16 VanDerWaalsContact C-N 3.27Å; D14-D16 PolarHBondContact O-N 3.42Å; D14-D16 PolarHBondContact OD1-N 3.15Å |
| 17 | N | 78 | Confident | 68.9 | Low | 113 Ų | 113 | 99.8 Ų | 99.8 | 60% | 0.604 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 21 | 173.8 | -75.3 | -38.9 | 0 | 0 | 0 | 114.3 | D14 P15 I19 | D14-N17 HydrophobicContact CB-CB 4.48Å; D14-N17 PolarHBondContact O-N 3.5Å; D14-N17 PolarHBondContact OD1-N 3.02Å; D14-N17 WeakPolarHBondContact OD2-CB 3.49Å; D14-N17 PolarHBondContact OD2-ND2 3.05Å; P15-N17 VanDerWaalsContact C-N 3.33Å; N17-I19 HydrophobicContact CB-CD1 4.49Å; N17-I19 HydrophobicContact CB-CG1 4.29Å; N17-I19 PolarHBondContact O-N 3.19Å; N17-I19 VanDerWaalsContact O-N 3.15Å |
| 18 | S | 68.9 | Low | 69.4 | Low | 84 Ų | 84 | 96.8 Ų | 96.8 | 59% | 0.587 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 16.1 | 179.6 | -39.5 | 0 | 0 | 0 | 0 | 114.8 | D14 P15 A20 T23 | D14-S18 PolarHBondContact O-N 2.87Å; P15-S18 PolarHBondContact O-N 3.24Å; S18-A20 PolarHBondContact O-N 3.44Å; S18-T23 WeakPolarHBondContact O-CB 3.32Å; S18-T23 PolarHBondContact O-OG1 3.3Å |
| 19 | I | 70.5 | Confident | 70.2 | Confident | 69 Ų | 69 | 99 Ų | 99 | 35% | 0.354 | 49% | 0.486 | S | S | . | . | B | Isolated β-bridge | trans | -85.3 | 64.6 | 173.2 | -43.9 | -179.4 | 0 | 0 | 0 | 108.3 | E12 D14 N17 | E12-I19 WeakPolarHBondContact O-CG2 3.39Å; D14-I19 HydrophobicContact CB-CB 4.15Å; D14-I19 HydrophobicContact CB-CD1 4.21Å; D14-I19 HydrophobicContact CB-CG1 4.35Å; D14-I19 PolarHBondContact N-O 2.93Å; D14-I19 VanDerWaalsContact N-O 3.13Å; D14-I19 CarbonylContact O-C 3.47Å; D14-I19 WeakPolarHBondContact O-CA 3.34Å; D14-I19 WeakPolarHBondContact O-CB 3.13Å; D14-I19 PolarHBondContact O-N 3.2Å; N17-I19 HydrophobicContact CB-CD1 4.49Å; N17-I19 HydrophobicContact CB-CG1 4.29Å; N17-I19 PolarHBondContact O-N 3.19Å; N17-I19 VanDerWaalsContact O-N 3.15Å |
| 20 | A | 76.4 | Confident | 70.7 | Confident | 36 Ų | 36 | 95 Ų | 95 | 30% | 0.298 | 48% | 0.477 | S | S | . | . | trans | -92.3 | 168.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | S18 E22 T23 C24 | S18-A20 PolarHBondContact O-N 3.44Å; A20-E22 VanDerWaalsContact C-N 3.33Å; A20-E22 PolarHBondContact O-N 3.2Å; A20-T23 PolarHBondContact O-N 3.4Å; A20-C24 PolarHBondContact O-N 3.35Å; A20-C24 VanDerWaalsContact O-N 3.16Å | ||
| 21 | F | 73.7 | Confident | 71.2 | Confident | 136 Ų | 136 | 91.1 Ų | 91.1 | 60% | 0.596 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -54.6 | -46.3 | 177.9 | 177.9 | -96.8 | 0 | 0 | 0 | 112.3 | T23 C24 F25 | F21-T23 PolarHBondContact O-N 3.39Å; F21-C24 WeakPolarHBondContact O-CB 3.39Å; F21-C24 PolarHBondContact O-N 2.9Å; F21-F25 HydrophobicContact CE1-CB 4.31Å; F21-F25 HydrophobicContact CZ-CD2 4.33Å; F21-F25 WeakPolarHBondContact O-CB 3.24Å; F21-F25 PolarHBondContact O-N 3.42Å |
| 22 | E | 73.8 | Confident | 71.2 | Confident | 132 Ų | 132 | 89.8 Ų | 89.8 | 62% | 0.617 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -54.4 | -50.1 | 177.4 | -108.2 | 70.4 | -161.7 | 0 | 0 | 113.3 | A20 C24 F25 Q26 | A20-E22 VanDerWaalsContact C-N 3.33Å; A20-E22 PolarHBondContact O-N 3.2Å; E22-C24 VanDerWaalsContact C-N 3.26Å; E22-C24 PolarHBondContact O-N 3.04Å; E22-F25 PolarHBondContact O-N 2.91Å; E22-Q26 WeakPolarHBondContact O-CG 3.31Å; E22-Q26 PolarHBondContact O-N 2.9Å |
| 23 | T | 71.8 | Confident | 71.5 | Confident | 71 Ų | 71 | 88.1 Ų | 88.1 | 44% | 0.436 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.8 | -37.8 | -179 | -42.8 | 0 | 0 | 0 | 0 | 111.1 | S18 A20 F21 R27 | S18-T23 WeakPolarHBondContact O-CB 3.32Å; S18-T23 PolarHBondContact O-OG1 3.3Å; A20-T23 PolarHBondContact O-N 3.4Å; F21-T23 PolarHBondContact O-N 3.39Å; T23-R27 PolarHBondContact O-N 3.04Å |
| 24 | C | 66 | Low | 71.3 | Confident | 18 Ų | 18 | 86 Ų | 86 | 12% | 0.122 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -71.2 | -42.6 | 177.3 | -153.1 | 0 | 0 | 0 | 0 | 111.4 | F11 A20 F21 E22 R27 F28 | F11-C24 WeakPolarHBondContact CB-SG 3.47Å; F11-C24 VanDerWaalsContact CG-SG 3.53Å; A20-C24 PolarHBondContact O-N 3.35Å; A20-C24 VanDerWaalsContact O-N 3.16Å; F21-C24 WeakPolarHBondContact O-CB 3.39Å; F21-C24 PolarHBondContact O-N 2.9Å; E22-C24 VanDerWaalsContact C-N 3.26Å; E22-C24 PolarHBondContact O-N 3.04Å; C24-R27 WeakPolarHBondContact O-CB 3.5Å; C24-R27 PolarHBondContact O-N 3.47Å; C24-F28 WeakPolarHBondContact O-CD2 3.19Å; C24-F28 PolarHBondContact O-N 3.31Å; C24-F28 VanDerWaalsContact O-N 3.16Å |
| 25 | F | 70.3 | Confident | 70.6 | Confident | 87 Ų | 87 | 86 Ų | 86 | 38% | 0.382 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 177.6 | -176.8 | -97.1 | 0 | 0 | 0 | 111.1 | F21 E22 R27 F28 E29 F32 | F21-F25 HydrophobicContact CE1-CB 4.31Å; F21-F25 HydrophobicContact CZ-CD2 4.33Å; F21-F25 WeakPolarHBondContact O-CB 3.24Å; F21-F25 PolarHBondContact O-N 3.42Å; E22-F25 PolarHBondContact O-N 2.91Å; F25-R27 PolarHBondContact O-N 3.2Å; F25-F28 CarbonylContact O-C 3.45Å; F25-F28 PolarHBondContact O-N 3.33Å; F25-E29 HydrophobicContact CE1-CG 4.34Å; F25-E29 WeakPolarHBondContact O-CA 3.45Å; F25-E29 WeakPolarHBondContact O-CB 3.34Å; F25-E29 PolarHBondContact O-N 2.8Å; F25-F32 HydrophobicContact CD2-CE2 4.45Å; F25-F32 HydrophobicContact CE2-CD2 4.48Å; F25-F32 HydrophobicContact CE2-CE2 4.16Å |
| 26 | Q | 76.5 | Confident | 70 | Confident | 134 Ų | 134 | 82.7 Ų | 82.7 | 63% | 0.626 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -57 | -37.3 | 175.3 | -75.5 | -179.7 | -8.6 | 0 | 0 | 112.4 | E22 F28 E29 | E22-Q26 WeakPolarHBondContact O-CG 3.31Å; E22-Q26 PolarHBondContact O-N 2.9Å; Q26-F28 VanDerWaalsContact C-N 3.32Å; Q26-F28 PolarHBondContact O-N 2.94Å; Q26-E29 PolarHBondContact O-N 3.37Å |
| 27 | R | 70.8 | Confident | 69.2 | Low | 181 Ų | 181 | 78.6 Ų | 78.6 | 68% | 0.683 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -68.4 | -31.8 | 178.8 | -155.9 | 174.9 | -172.1 | 179.1 | 1.7 | 112.8 | T23 C24 F25 | T23-R27 PolarHBondContact O-N 3.04Å; C24-R27 WeakPolarHBondContact O-CB 3.5Å; C24-R27 PolarHBondContact O-N 3.47Å; F25-R27 PolarHBondContact O-N 3.2Å |
| 28 | F | 66.8 | Low | 68.6 | Low | 32 Ų | 32 | 79.6 Ų | 79.6 | 14% | 0.14 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -100.1 | -5.8 | 178.5 | -64.4 | -59.1 | 0 | 0 | 0 | 113.9 | V8 M9 C24 F25 Q26 G30 V31 F32 | V8-F28 HydrophobicContact CB-CE1 4.11Å; V8-F28 HydrophobicContact CG1-CD1 4.21Å; V8-F28 HydrophobicContact CG1-CE1 3.74Å; V8-F28 HydrophobicContact CG1-CE2 4.42Å; V8-F28 HydrophobicContact CG1-CZ 3.83Å; V8-F28 HydrophobicContact CG2-CD1 4.3Å; V8-F28 HydrophobicContact CG2-CE1 4.27Å; M9-F28 WeakPolarHBondContact O-CZ 3.41Å; C24-F28 WeakPolarHBondContact O-CD2 3.19Å; C24-F28 PolarHBondContact O-N 3.31Å; C24-F28 VanDerWaalsContact O-N 3.16Å; F25-F28 CarbonylContact O-C 3.45Å; F25-F28 PolarHBondContact O-N 3.33Å; Q26-F28 VanDerWaalsContact C-N 3.32Å; Q26-F28 PolarHBondContact O-N 2.94Å; F28-G30 PolarHBondContact O-N 3.44Å; F28-V31 HydrophobicContact CD1-CG2 4.23Å; F28-V31 WeakPolarHBondContact O-CA 3.27Å; F28-V31 VanDerWaalsContact O-CB 3.23Å; F28-V31 WeakPolarHBondContact O-CB 3.32Å; F28-V31 PolarHBondContact O-N 3.18Å; F28-F32 HydrophobicContact CB-CE2 4.01Å; F28-F32 WeakPolarHBondContact O-CD2 3.47Å; F28-F32 PolarHBondContact O-N 2.93Å |
| 29 | E | 71.4 | Confident | 68.4 | Low | 99 Ų | 99 | 77.7 Ų | 77.7 | 46% | 0.463 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -51.6 | -46.6 | -178.7 | -170.6 | 175.1 | -168.6 | 0 | 0 | 110.5 | F25 Q26 V31 F32 T33 | F25-E29 HydrophobicContact CE1-CG 4.34Å; F25-E29 WeakPolarHBondContact O-CA 3.45Å; F25-E29 WeakPolarHBondContact O-CB 3.34Å; F25-E29 PolarHBondContact O-N 2.8Å; Q26-E29 PolarHBondContact O-N 3.37Å; E29-V31 PolarHBondContact O-N 3.37Å; E29-F32 WeakPolarHBondContact O-CA 3.3Å; E29-F32 WeakPolarHBondContact O-CB 3.43Å; E29-F32 PolarHBondContact O-N 3.44Å; E29-T33 PolarHBondContact O-N 2.93Å; E29-T33 PolarHBondContact O-OG1 3.47Å |
| 30 | G | 67.4 | Low | 68.5 | Low | 42 Ų | 42 | 77 Ų | 77 | 43% | 0.433 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.4 | -28.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.8 | F28 T33 V34 | F28-G30 PolarHBondContact O-N 3.44Å; G30-T33 PolarHBondContact O-N 3.49Å; G30-V34 WeakPolarHBondContact O-CB 3.5Å; G30-V34 VanDerWaalsContact O-CG2 3.29Å; G30-V34 WeakPolarHBondContact O-CG2 3.28Å; G30-V34 PolarHBondContact O-N 2.94Å |
| 31 | V | 65.9 | Low | 68.2 | Low | 30 Ų | 30 | 81.1 Ų | 81.1 | 18% | 0.182 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -69.4 | -36.5 | 173.8 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | F28 E29 D35 C36 | F28-V31 HydrophobicContact CD1-CG2 4.23Å; F28-V31 WeakPolarHBondContact O-CA 3.27Å; F28-V31 VanDerWaalsContact O-CB 3.23Å; F28-V31 WeakPolarHBondContact O-CB 3.32Å; F28-V31 PolarHBondContact O-N 3.18Å; E29-V31 PolarHBondContact O-N 3.37Å; V31-D35 HydrophobicContact CG1-CB 4.36Å; V31-D35 WeakPolarHBondContact O-CB 3.38Å; V31-D35 PolarHBondContact O-N 3.31Å; V31-C36 PolarHBondContact O-N 2.88Å |
| 32 | F | 63.6 | Low | 67.8 | Low | 71 Ų | 71 | 83.6 Ų | 83.6 | 31% | 0.311 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71.7 | -35.2 | 173.1 | -60.2 | -90 | 0 | 0 | 0 | 111.8 | F25 F28 E29 C36 L48 | F25-F32 HydrophobicContact CD2-CE2 4.45Å; F25-F32 HydrophobicContact CE2-CD2 4.48Å; F25-F32 HydrophobicContact CE2-CE2 4.16Å; F28-F32 HydrophobicContact CB-CE2 4.01Å; F28-F32 WeakPolarHBondContact O-CD2 3.47Å; F28-F32 PolarHBondContact O-N 2.93Å; E29-F32 WeakPolarHBondContact O-CA 3.3Å; E29-F32 WeakPolarHBondContact O-CB 3.43Å; E29-F32 PolarHBondContact O-N 3.44Å; F32-C36 CarbonylContact O-C 3.53Å; F32-C36 WeakPolarHBondContact O-CB 3.46Å; F32-C36 PolarHBondContact O-N 3.49Å; F32-L48 HydrophobicContact CD1-CD1 4.01Å; F32-L48 HydrophobicContact CD1-CD2 3.91Å; F32-L48 HydrophobicContact CD1-CG 4.46Å; F32-L48 HydrophobicContact CE1-CD1 3.5Å; F32-L48 HydrophobicContact CE1-CD2 3.13Å; F32-L48 HydrophobicContact CE1-CG 3.88Å; F32-L48 HydrophobicContact CZ-CD2 3.64Å |
| 33 | T | 68.6 | Low | 67.7 | Low | 96 Ų | 96 | 79.5 Ų | 79.5 | 59% | 0.589 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -76.5 | -33.5 | -178.5 | -31.9 | 0 | 0 | 0 | 0 | 112.8 | E29 G30 A37 | E29-T33 PolarHBondContact O-N 2.93Å; E29-T33 PolarHBondContact O-OG1 3.47Å; G30-T33 PolarHBondContact O-N 3.49Å; T33-A37 WeakPolarHBondContact O-CB 3.5Å |
| 34 | V | 67.4 | Low | 67.5 | Low | 106 Ų | 106 | 78.8 Ų | 78.8 | 64% | 0.642 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -97.4 | -55.9 | -176.6 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | G30 | G30-V34 WeakPolarHBondContact O-CB 3.5Å; G30-V34 VanDerWaalsContact O-CG2 3.29Å; G30-V34 WeakPolarHBondContact O-CG2 3.28Å; G30-V34 PolarHBondContact O-N 2.94Å |
| 35 | D | 60.2 | Low | 67.7 | Low | 45 Ų | 45 | 82.1 Ų | 82.1 | 24% | 0.241 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -21.6 | -173.7 | -63.9 | -24.4 | 0 | 0 | 0 | 112.4 | H4 V31 | H4-D35 IonicContact CG-OD1 3.94Å; H4-D35 IonicContact ND1-OD1 2.98Å; H4-D35 PolarHBondContact ND1-OD1 2.89Å; V31-D35 HydrophobicContact CG1-CB 4.36Å; V31-D35 WeakPolarHBondContact O-CB 3.38Å; V31-D35 PolarHBondContact O-N 3.31Å |
| 36 | C | 60.3 | Low | 67.8 | Low | 3 Ų | 3 | 86.9 Ų | 86.9 | 2% | 0.02 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 17.8 | 176.5 | -55.7 | 0 | 0 | 0 | 0 | 112.9 | V31 F32 K44 | V31-C36 PolarHBondContact O-N 2.88Å; F32-C36 CarbonylContact O-C 3.53Å; F32-C36 WeakPolarHBondContact O-CB 3.46Å; F32-C36 PolarHBondContact O-N 3.49Å; C36-K44 HydrophobicContact CB-CB 4.37Å; C36-K44 HydrophobicContact CB-CD 3.82Å; C36-K44 HydrophobicContact CB-CG 3.85Å; C36-K44 WeakPolarHBondContact O-CD 2.81Å; C36-K44 WeakPolarHBondContact O-CE 3.44Å; C36-K44 PolarHBondContact O-NZ 3.34Å |
| 37 | A | 65.8 | Low | 67.5 | Low | 66 Ų | 66 | 84.2 Ų | 84.2 | 55% | 0.545 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -66.2 | -40.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T33 | T33-A37 WeakPolarHBondContact O-CB 3.5Š|
| 38 | T | 65.4 | Low | 67.4 | Low | 134 Ų | 134 | 78.2 Ų | 78.2 | 82% | 0.822 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -99.3 | -33.7 | -166.7 | 35.4 | 0 | 0 | 0 | 0 | 116.2 | ||
| 39 | P | 63.6 | Low | 67.4 | Low | 44 Ų | 44 | 84 Ų | 84 | 29% | 0.286 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -76.3 | 138.6 | -178.4 | -9.1 | 25.4 | 0 | 0 | 0 | 110.7 | A43 K44 | P39-A43 HydrophobicContact CB-CB 3.43Å; P39-A43 VanDerWaalsContact CB-CB 3.43Å; P39-K44 HydrophobicContact CB-CG 4.48Å; P39-K44 WeakPolarHBondContact O-CE 3.38Å; P39-K44 WeakPolarHBondContact O-CG 2.91Å |
| 40 | G | 72.8 | Confident | 67.3 | Low | 55 Ų | 55 | 81.2 Ų | 81.2 | 57% | 0.567 | 46% | 0.457 | S | S | * | . | trans | -56.6 | 154.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K42 A43 K44 | G40-K42 PolarHBondContact O-N 2.87Å; G40-A43 WeakPolarHBondContact O-CA 3.32Å; G40-A43 WeakPolarHBondContact O-CB 3.36Å; G40-A43 PolarHBondContact O-N 3.49Å; G40-K44 PolarHBondContact O-N 3.33Å | ||
| 41 | D | 70 | Confident | 67.3 | Low | 121 Ų | 121 | 81.3 Ų | 81.3 | 65% | 0.647 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -47.4 | -35.2 | -168.5 | -65.2 | -23.6 | 0 | 0 | 0 | 114.6 | A43 K44 V45 | D41-A43 VanDerWaalsContact C-N 3.3Å; D41-A43 PolarHBondContact O-N 3.32Å; D41-K44 PolarHBondContact O-N 3.46Å; D41-V45 VanDerWaalsContact O-CG2 3.32Å; D41-V45 WeakPolarHBondContact O-CG2 3.4Å; D41-V45 PolarHBondContact O-N 3.35Å |
| 42 | K | 65.6 | Low | 67.1 | Low | 188 Ų | 188 | 85 Ų | 85 | 82% | 0.817 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.7 | -36 | 177.4 | -145.7 | 174.6 | -161.2 | 174.9 | 0 | 113.4 | G40 R46 | G40-K42 PolarHBondContact O-N 2.87Å; K42-R46 WeakPolarHBondContact O-CB 3.16Å; K42-R46 PolarHBondContact O-N 3.24Å; K42-R46 VanDerWaalsContact O-N 3.16Å |
| 43 | A | 71.6 | Confident | 66.9 | Low | 46 Ų | 46 | 85.7 Ų | 85.7 | 38% | 0.38 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -79.3 | -36.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P39 G40 D41 R46 F47 | P39-A43 HydrophobicContact CB-CB 3.43Å; P39-A43 VanDerWaalsContact CB-CB 3.43Å; G40-A43 WeakPolarHBondContact O-CA 3.32Å; G40-A43 WeakPolarHBondContact O-CB 3.36Å; G40-A43 PolarHBondContact O-N 3.49Å; D41-A43 VanDerWaalsContact C-N 3.3Å; D41-A43 PolarHBondContact O-N 3.32Å; A43-R46 PolarHBondContact O-N 3.16Å; A43-F47 WeakPolarHBondContact O-CB 3.44Å; A43-F47 PolarHBondContact O-N 2.88Å |
| 44 | K | 68.8 | Low | 66.8 | Low | 57 Ų | 57 | 84.9 Ų | 84.9 | 25% | 0.248 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 171.4 | -54.4 | -175.1 | -168.2 | -157.7 | 0 | 111.3 | C36 P39 G40 D41 R46 F47 L48 | C36-K44 HydrophobicContact CB-CB 4.37Å; C36-K44 HydrophobicContact CB-CD 3.82Å; C36-K44 HydrophobicContact CB-CG 3.85Å; C36-K44 WeakPolarHBondContact O-CD 2.81Å; C36-K44 WeakPolarHBondContact O-CE 3.44Å; C36-K44 PolarHBondContact O-NZ 3.34Å; P39-K44 HydrophobicContact CB-CG 4.48Å; P39-K44 WeakPolarHBondContact O-CE 3.38Å; P39-K44 WeakPolarHBondContact O-CG 2.91Å; G40-K44 PolarHBondContact O-N 3.33Å; D41-K44 PolarHBondContact O-N 3.46Å; K44-R46 VanDerWaalsContact C-N 3.31Å; K44-R46 PolarHBondContact O-N 2.87Å; K44-F47 PolarHBondContact O-N 2.71Å; K44-L48 WeakPolarHBondContact O-CB 3.43Å; K44-L48 WeakPolarHBondContact O-CG 3.07Å; K44-L48 PolarHBondContact O-N 2.78Å |
| 45 | V | 70.2 | Confident | 66.7 | Low | 88 Ų | 88 | 83.3 Ų | 83.3 | 53% | 0.533 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 176.2 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | D41 R49 | D41-V45 VanDerWaalsContact O-CG2 3.32Å; D41-V45 WeakPolarHBondContact O-CG2 3.4Å; D41-V45 PolarHBondContact O-N 3.35Å; V45-R49 WeakPolarHBondContact O-CB 2.97Å; V45-R49 PolarHBondContact O-N 3.4Å |
| 46 | R | 71.1 | Confident | 67.1 | Low | 186 Ų | 186 | 84.1 Ų | 84.1 | 70% | 0.702 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.7 | -42.2 | 175.7 | -171 | -173.7 | -67.8 | -144.6 | 1.1 | 111.9 | K42 A43 K44 R49 G50 | K42-R46 WeakPolarHBondContact O-CB 3.16Å; K42-R46 PolarHBondContact O-N 3.24Å; K42-R46 VanDerWaalsContact O-N 3.16Å; A43-R46 PolarHBondContact O-N 3.16Å; K44-R46 VanDerWaalsContact C-N 3.31Å; K44-R46 PolarHBondContact O-N 2.87Å; R46-R49 PolarHBondContact O-N 2.85Å; R46-G50 PolarHBondContact O-N 3.23Å |
| 47 | F | 70.5 | Confident | 67.5 | Low | 78 Ų | 78 | 85.1 Ų | 85.1 | 34% | 0.342 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65 | -49.4 | 178.6 | 178.7 | -103.5 | 0 | 0 | 0 | 111.9 | A43 K44 R49 G50 K51 | A43-F47 WeakPolarHBondContact O-CB 3.44Å; A43-F47 PolarHBondContact O-N 2.88Å; K44-F47 PolarHBondContact O-N 2.71Å; F47-R49 VanDerWaalsContact C-N 3.31Å; F47-R49 PolarHBondContact O-N 3.48Å; F47-G50 CarbonylContact O-C 3.58Å; F47-G50 WeakPolarHBondContact O-CA 3.13Å; F47-G50 PolarHBondContact O-N 3.42Å; F47-K51 HydrophobicContact CE1-CD 3.78Å; F47-K51 HydrophobicContact CE2-CD 4.19Å; F47-K51 HydrophobicContact CZ-CD 3.62Å; F47-K51 PolarHBondContact O-N 2.86Å |
| 48 | L | 69.4 | Low | 68 | Low | 56 Ų | 56 | 87.7 Ų | 87.7 | 29% | 0.293 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 176.1 | -72.2 | 164.2 | 0 | 0 | 0 | 111.7 | F32 K44 G50 K51 L52 | F32-L48 HydrophobicContact CD1-CD1 4.01Å; F32-L48 HydrophobicContact CD1-CD2 3.91Å; F32-L48 HydrophobicContact CD1-CG 4.46Å; F32-L48 HydrophobicContact CE1-CD1 3.5Å; F32-L48 HydrophobicContact CE1-CD2 3.13Å; F32-L48 HydrophobicContact CE1-CG 3.88Å; F32-L48 HydrophobicContact CZ-CD2 3.64Å; K44-L48 WeakPolarHBondContact O-CB 3.43Å; K44-L48 WeakPolarHBondContact O-CG 3.07Å; K44-L48 PolarHBondContact O-N 2.78Å; L48-G50 PolarHBondContact O-N 2.86Å; L48-K51 PolarHBondContact O-N 3.37Å; L48-L52 WeakPolarHBondContact O-CB 3.03Å; L48-L52 PolarHBondContact O-N 3.01Å |
| 49 | R | 66.6 | Low | 68.6 | Low | 153 Ų | 153 | 86.1 Ų | 86.1 | 58% | 0.577 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -66.6 | -29 | 175 | -156.9 | -177.3 | 88.1 | -141.3 | 2.9 | 111.7 | V45 R46 F47 M53 | V45-R49 WeakPolarHBondContact O-CB 2.97Å; V45-R49 PolarHBondContact O-N 3.4Å; R46-R49 PolarHBondContact O-N 2.85Å; F47-R49 VanDerWaalsContact C-N 3.31Å; F47-R49 PolarHBondContact O-N 3.48Å; R49-M53 HydrophobicContact CG-CE 4.11Å; R49-M53 HydrophobicContact CG-CG 3.76Å; R49-M53 HydrophobicContact CG-SD 3.28Å; R49-M53 WeakPolarHBondContact CG-SD 3.38Å; R49-M53 WeakPolarHBondContact O-CB 2.96Å; R49-M53 WeakPolarHBondContact O-CG 3.43Å; R49-M53 PolarHBondContact O-N 3.18Å |
| 50 | G | 69.4 | Low | 69.2 | Low | 41 Ų | 41 | 89.8 Ų | 89.8 | 42% | 0.423 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -70.7 | -47.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R46 F47 L48 V54 | R46-G50 PolarHBondContact O-N 3.23Å; F47-G50 CarbonylContact O-C 3.58Å; F47-G50 WeakPolarHBondContact O-CA 3.13Å; F47-G50 PolarHBondContact O-N 3.42Å; L48-G50 PolarHBondContact O-N 2.86Å; G50-V54 WeakPolarHBondContact O-CG2 3.41Å |
| 51 | K | 65.8 | Low | 69.4 | Low | 44 Ų | 44 | 91.4 Ų | 91.4 | 19% | 0.191 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -75.4 | -51.1 | -177.8 | -101.7 | 176 | 167.4 | 176.5 | 0 | 112.8 | H4 V8 F47 L48 | H4-K51 PolarHBondContact O-NZ 3.39Å; V8-K51 HydrophobicContact CG2-CD 4.1Å; F47-K51 HydrophobicContact CE1-CD 3.78Å; F47-K51 HydrophobicContact CE2-CD 4.19Å; F47-K51 HydrophobicContact CZ-CD 3.62Å; F47-K51 PolarHBondContact O-N 2.86Å; L48-K51 PolarHBondContact O-N 3.37Å |
| 52 | L | 63.2 | Low | 69.6 | Low | 107 Ų | 107 | 96.6 Ų | 96.6 | 56% | 0.56 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -72.7 | -31.8 | -175.6 | -163.4 | 72.5 | 0 | 0 | 0 | 112.4 | L48 V56 | L48-L52 WeakPolarHBondContact O-CB 3.03Å; L48-L52 PolarHBondContact O-N 3.01Å; L52-V56 WeakPolarHBondContact O-CB 3.13Å; L52-V56 VanDerWaalsContact O-CG2 3.26Å; L52-V56 WeakPolarHBondContact O-CG2 3.4Å |
| 53 | M | 59.7 | Low | 70.1 | Confident | 86 Ų | 86 | 93.2 Ų | 93.2 | 42% | 0.424 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -79.2 | -27.9 | -179.4 | -66.5 | -167.2 | 136.8 | 0 | 0 | 113.6 | R49 D55 V57 | R49-M53 HydrophobicContact CG-CE 4.11Å; R49-M53 HydrophobicContact CG-CG 3.76Å; R49-M53 HydrophobicContact CG-SD 3.28Å; R49-M53 WeakPolarHBondContact CG-SD 3.38Å; R49-M53 WeakPolarHBondContact O-CB 2.96Å; R49-M53 WeakPolarHBondContact O-CG 3.43Å; R49-M53 PolarHBondContact O-N 3.18Å; M53-D55 VanDerWaalsContact C-N 3.33Å; M53-D55 PolarHBondContact O-N 3.38Å; M53-V57 HydrophobicContact CB-CG2 3.91Å; M53-V57 WeakPolarHBondContact O-CA 3.22Å; M53-V57 WeakPolarHBondContact O-CB 3.45Å; M53-V57 WeakPolarHBondContact O-CG2 3.39Å; M53-V57 PolarHBondContact O-N 3.41Å |
| 54 | V | 65 | Low | 69.9 | Low | 78 Ų | 78 | 99.1 Ų | 99.1 | 47% | 0.473 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.2 | -47.5 | -175.9 | 169.9 | 0 | 0 | 0 | 0 | 110.2 | G50 N58 | G50-V54 WeakPolarHBondContact O-CG2 3.41Å; V54-N58 VanDerWaalsContact O-CB 3.24Å; V54-N58 WeakPolarHBondContact O-CB 3.16Å; V54-N58 PolarHBondContact O-N 2.8Å; V54-N58 PolarHBondContact O-ND2 2.91Å; V54-N58 VanDerWaalsContact O-ND2 3.08Å |
| 55 | D | 66.3 | Low | 70 | Confident | 74 Ų | 74 | 99.7 Ų | 99.7 | 40% | 0.396 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -74 | -44.6 | -178 | -60.4 | -28.6 | 0 | 0 | 0 | 111.9 | M53 V57 N58 R59 | M53-D55 VanDerWaalsContact C-N 3.33Å; M53-D55 PolarHBondContact O-N 3.38Å; D55-V57 VanDerWaalsContact C-N 3.34Å; D55-V57 PolarHBondContact O-N 3.47Å; D55-N58 PolarHBondContact O-N 3.46Å; D55-R59 WeakPolarHBondContact O-CB 3.24Å; D55-R59 PolarHBondContact O-N 3.03Å |
| 56 | V | 68.8 | Low | 70.4 | Confident | 61 Ų | 61 | 101.4 Ų | 101.4 | 37% | 0.37 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 178.6 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | L52 Y60 | L52-V56 WeakPolarHBondContact O-CB 3.13Å; L52-V56 VanDerWaalsContact O-CG2 3.26Å; L52-V56 WeakPolarHBondContact O-CG2 3.4Å; V56-Y60 HydrophobicContact CG1-CD2 4.08Å; V56-Y60 WeakPolarHBondContact O-CA 3.48Å; V56-Y60 WeakPolarHBondContact O-CB 3.37Å; V56-Y60 WeakPolarHBondContact O-CD2 3.43Å; V56-Y60 PolarHBondContact O-N 3.49Å |
| 57 | V | 68.5 | Low | 70.7 | Confident | 25 Ų | 25 | 99.3 Ų | 99.3 | 15% | 0.152 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -70.8 | -38.5 | 178.4 | 173.1 | 0 | 0 | 0 | 0 | 111 | M53 D55 Y60 P61 R64 | M53-V57 HydrophobicContact CB-CG2 3.91Å; M53-V57 WeakPolarHBondContact O-CA 3.22Å; M53-V57 WeakPolarHBondContact O-CB 3.45Å; M53-V57 WeakPolarHBondContact O-CG2 3.39Å; M53-V57 PolarHBondContact O-N 3.41Å; D55-V57 VanDerWaalsContact C-N 3.34Å; D55-V57 PolarHBondContact O-N 3.47Å; V57-Y60 CarbonylContact O-C 3.5Å; V57-P61 WeakPolarHBondContact O-CA 3.26Å; V57-R64 HydrophobicContact CG1-CB 4.25Å; V57-R64 HydrophobicContact CG2-CB 4.35Å; V57-R64 HydrophobicContact CG2-CG 4.49Å |
| 58 | N | 76 | Confident | 71.4 | Confident | 120 Ų | 120 | 101 Ų | 101 | 64% | 0.642 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71.2 | -42.1 | 177.3 | -71.5 | -19.2 | 0 | 0 | 0 | 111.8 | V54 D55 | V54-N58 VanDerWaalsContact O-CB 3.24Å; V54-N58 WeakPolarHBondContact O-CB 3.16Å; V54-N58 PolarHBondContact O-N 2.8Å; V54-N58 PolarHBondContact O-ND2 2.91Å; V54-N58 VanDerWaalsContact O-ND2 3.08Å; D55-N58 PolarHBondContact O-N 3.46Å |
| 59 | R | 78.6 | Confident | 72.1 | Confident | 100 Ų | 100 | 101.7 Ų | 101.7 | 38% | 0.377 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.9 | -34.8 | -179.5 | -168.7 | 165.3 | -178.6 | 160.4 | -4.5 | 112.3 | E10 E12 D55 P61 | E10-R59 WeakPolarHBondContact OE1-CD 3.38Å; E10-R59 IonicContact OE1-CZ 3.95Å; E10-R59 IonicContact OE1-NE 2.71Å; E10-R59 IonicContact OE1-NH1 3.46Å; E10-R59 PolarHBondContact OE1-NH1 2.78Å; E10-R59 IonicContact OE2-NH1 3.7Å; E12-R59 IonicContact OE1-NH2 3.76Å; E12-R59 PolarHBondContact OE1-NH2 3.48Å; D55-R59 WeakPolarHBondContact O-CB 3.24Å; D55-R59 PolarHBondContact O-N 3.03Å; R59-P61 VanDerWaalsContact C-CD 3.45Å; R59-P61 WeakPolarHBondContact O-CD 3.48Å |
| 60 | Y | 76 | Confident | 72.9 | Confident | 121 Ų | 121 | 101.8 Ų | 101.8 | 48% | 0.475 | 54% | 0.537 | S | S | . | . | trans | -125 | 68.4 | -178.8 | -51.4 | -77.8 | 0 | 0 | 0 | 111.8 | V56 V57 R62 V63 | V56-Y60 HydrophobicContact CG1-CD2 4.08Å; V56-Y60 WeakPolarHBondContact O-CA 3.48Å; V56-Y60 WeakPolarHBondContact O-CB 3.37Å; V56-Y60 WeakPolarHBondContact O-CD2 3.43Å; V56-Y60 PolarHBondContact O-N 3.49Å; V57-Y60 CarbonylContact O-C 3.5Å; Y60-R62 PolarHBondContact O-N 3.43Å; Y60-V63 HydrophobicContact CG-CG2 4.5Å; Y60-V63 WeakPolarHBondContact O-CB 3.32Å; Y60-V63 PolarHBondContact O-N 3.08Å | ||
| 61 | P | 76.3 | Confident | 73.7 | Confident | 89 Ų | 89 | 108.3 Ų | 108.3 | 58% | 0.578 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24.7 | -176.5 | 23.7 | -33.7 | 0 | 0 | 0 | 112.9 | V57 R59 V63 R64 | V57-P61 WeakPolarHBondContact O-CA 3.26Å; R59-P61 VanDerWaalsContact C-CD 3.45Å; R59-P61 WeakPolarHBondContact O-CD 3.48Å; P61-V63 VanDerWaalsContact C-N 3.31Å; P61-V63 PolarHBondContact O-N 3.02Å; P61-R64 PolarHBondContact O-N 2.81Å |
| 62 | R | 75.3 | Confident | 74.8 | Confident | 230 Ų | 230 | 112 Ų | 112 | 87% | 0.868 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -26.7 | 175.4 | -65.5 | -175.7 | -168.9 | -102.2 | 1.4 | 113.4 | Y60 R64 C65 | Y60-R62 PolarHBondContact O-N 3.43Å; R62-R64 VanDerWaalsContact C-N 3.3Å; R62-R64 PolarHBondContact O-N 3.31Å; R62-C65 WeakPolarHBondContact O-CB 3.29Å; R62-C65 PolarHBondContact O-N 3.41Å |
| 63 | V | 75.1 | Confident | 76.1 | Confident | 118 Ų | 118 | 114.1 Ų | 114.1 | 72% | 0.715 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -30.7 | -179.8 | 176 | 0 | 0 | 0 | 0 | 111.1 | Y60 P61 | Y60-V63 HydrophobicContact CG-CG2 4.5Å; Y60-V63 WeakPolarHBondContact O-CB 3.32Å; Y60-V63 PolarHBondContact O-N 3.08Å; P61-V63 VanDerWaalsContact C-N 3.31Å; P61-V63 PolarHBondContact O-N 3.02Å |
| 64 | R | 67.2 | Low | 77.5 | Confident | 170 Ų | 170 | 113.5 Ų | 113.5 | 64% | 0.642 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 21.9 | 175.5 | -150.1 | -176.4 | 76 | 172.3 | 3.1 | 113.4 | V57 P61 R62 | V57-R64 HydrophobicContact CG1-CB 4.25Å; V57-R64 HydrophobicContact CG2-CB 4.35Å; V57-R64 HydrophobicContact CG2-CG 4.49Å; P61-R64 PolarHBondContact O-N 2.81Å; R62-R64 VanDerWaalsContact C-N 3.3Å; R62-R64 PolarHBondContact O-N 3.31Å |
| 65 | C | 71 | Confident | 78.7 | Confident | 68 Ų | 68 | 118.8 Ų | 118.8 | 46% | 0.459 | 61% | 0.607 | S | S | . | * | trans | -64.8 | 141.2 | 177.6 | -158.8 | 0 | 0 | 0 | 0 | 109.9 | R62 R67 | R62-C65 WeakPolarHBondContact O-CB 3.29Å; R62-C65 PolarHBondContact O-N 3.41Å; C65-R67 PolarHBondContact O-N 2.85Å | ||
| 66 | S | 78.7 | Confident | 79.9 | Confident | 124 Ų | 124 | 119.7 Ų | 119.7 | 87% | 0.867 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -68.9 | -16.3 | 172.4 | 54.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 67 | R | 78.4 | Confident | 81 | Confident | 142 Ų | 142 | 122.1 Ų | 122.1 | 54% | 0.536 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -87.2 | 144.9 | 175.9 | -57.1 | -177.7 | 84 | -170.1 | 6.4 | 109.8 | C65 G69 R111 N112 | C65-R67 PolarHBondContact O-N 2.85Å; R67-G69 PolarHBondContact O-N 3.46Å; R67-R111 PolarHBondContact NH2-O 2.83Å; R67-N112 WeakPolarHBondContact CA-OD1 3.44Å |
| 68 | I | 84 | Confident | 82.1 | Confident | 113 Ų | 113 | 128.4 Ų | 128.4 | 58% | 0.579 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 136.4 | 170.3 | -80.1 | 169.4 | 0 | 0 | 0 | 109.5 | N112 I114 | I68-N112 PolarHBondContact N-OD1 3.06Å; I68-I114 HydrophobicContact CB-CD1 4.29Å; I68-I114 HydrophobicContact CD1-CD1 3.71Å; I68-I114 HydrophobicContact CG2-CD1 4.19Å |
| 69 | G | 83.7 | Confident | 82.9 | Confident | 71 Ų | 71 | 130.4 Ų | 130.4 | 73% | 0.732 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 147.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R67 | R67-G69 PolarHBondContact O-N 3.46Š|
| 70 | L | 84.7 | Confident | 83.6 | Confident | 156 Ų | 156 | 132.3 Ų | 132.3 | 82% | 0.817 | 70% | 0.699 | S | S | * | * | trans | -107.8 | 122.5 | 177 | -178.6 | 65.9 | 0 | 0 | 0 | 110.5 | T72 | L70-T72 HydrophobicContact CD2-CG2 4.43Å; L70-T72 HydrophobicContact CG-CG2 4.43Å | ||
| 71 | R | 86.6 | Confident | 84.5 | Confident | 177 Ų | 177 | 135.1 Ų | 135.1 | 67% | 0.668 | 71% | 0.714 | S | S | * | * | trans | -83 | 119.1 | 170.9 | -172.7 | 73.1 | 177 | -175.8 | 1.1 | 109.3 | ||||
| 72 | T | 87.9 | Confident | 85.4 | Confident | 122 Ų | 122 | 136 Ų | 136 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | -99.9 | -17.4 | -179.1 | 54.7 | 0 | 0 | 0 | 0 | 114 | L70 A74 | L70-T72 HydrophobicContact CD2-CG2 4.43Å; L70-T72 HydrophobicContact CG-CG2 4.43Å; T72-A74 VanDerWaalsContact C-N 3.35Å; T72-A74 PolarHBondContact O-N 2.87Å | ||
| 73 | Q | 90 | Very high | 86.3 | Confident | 151 Ų | 151 | 128.7 Ų | 128.7 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -82.1 | -10.7 | -171.5 | -66.2 | -178.4 | -26.8 | 0 | 0 | 114.3 | ||
| 74 | A | 89.5 | Confident | 87.3 | Confident | 74 Ų | 74 | 127 Ų | 127 | 61% | 0.612 | 72% | 0.715 | S | S | * | * | trans | -145.6 | 142.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | T72 | T72-A74 VanDerWaalsContact C-N 3.35Å; T72-A74 PolarHBondContact O-N 2.87Å | ||
| 75 | K | 90.9 | Very high | 88.4 | Confident | 188 Ų | 188 | 129 Ų | 129 | 82% | 0.817 | 72% | 0.722 | S | S | * | * | trans | -120.1 | 128 | 170 | -172.2 | 174.3 | -178.8 | 179.3 | 0 | 108.2 | T77 | K75-T77 PolarHBondContact O-N 3.01Š| ||
| 76 | A | 90.7 | Very high | 89.4 | Confident | 93 Ų | 93 | 130 Ų | 130 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | trans | -74.1 | 125.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 77 | T | 91.5 | Very high | 89.9 | Confident | 112 Ų | 112 | 129.8 Ų | 129.8 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | trans | -113.2 | 123.2 | 171.4 | -59.9 | 0 | 0 | 0 | 0 | 107.9 | K75 L79 | K75-T77 PolarHBondContact O-N 3.01Å; T77-L79 HydrophobicContact CG2-CD2 4.46Å | ||
| 78 | L | 91.3 | Very high | 90.5 | Very high | 157 Ų | 157 | 130.5 Ų | 130.5 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -90 | 120.4 | 177.3 | -60.7 | 176.5 | 0 | 0 | 0 | 109 | ||
| 79 | L | 94 | Very high | 90.9 | Very high | 162 Ų | 162 | 134.9 Ų | 134.9 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 124.7 | 175.8 | -60.8 | 178.8 | 0 | 0 | 0 | 109.8 | T77 | T77-L79 HydrophobicContact CG2-CD2 4.46Š|
| 80 | L | 92.9 | Very high | 91.2 | Very high | 141 Ų | 141 | 137.1 Ų | 137.1 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -87 | 145.5 | 176.4 | -60.7 | 179.2 | 0 | 0 | 0 | 110.4 | ||
| 81 | K | 95.3 | Very high | 91.6 | Very high | 179 Ų | 179 | 141 Ų | 141 | 78% | 0.778 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 151.2 | 168.2 | -65 | 178.6 | 179.1 | 178.2 | 0 | 109.5 | G83 V84 | K81-G83 PolarHBondContact O-N 2.89Å; K81-V84 HydrophobicContact CB-CG2 3.79Å; K81-V84 VanDerWaalsContact O-CG2 3.24Å; K81-V84 WeakPolarHBondContact O-CG2 3.32Å; K81-V84 PolarHBondContact O-N 3.36Å |
| 82 | A | 95.5 | Very high | 91.9 | Very high | 107 Ų | 107 | 143.4 Ų | 143.4 | 88% | 0.884 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | 138.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V84 | A82-V84 VanDerWaalsContact C-N 3.31Å; A82-V84 PolarHBondContact O-N 2.97Å |
| 83 | G | 94.6 | Very high | 92.3 | Very high | 77 Ų | 77 | 143.8 Ų | 143.8 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.4 | 4.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | K81 | K81-G83 PolarHBondContact O-N 2.89Š|
| 84 | V | 94.2 | Very high | 92.5 | Very high | 83 Ų | 83 | 140 Ų | 140 | 50% | 0.503 | 74% | 0.741 | S | S | . | * | trans | -69.3 | 135.5 | 177.4 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | K81 A82 | K81-V84 HydrophobicContact CB-CG2 3.79Å; K81-V84 VanDerWaalsContact O-CG2 3.24Å; K81-V84 WeakPolarHBondContact O-CG2 3.32Å; K81-V84 PolarHBondContact O-N 3.36Å; A82-V84 VanDerWaalsContact C-N 3.31Å; A82-V84 PolarHBondContact O-N 2.97Å | ||
| 85 | R | 91.7 | Very high | 92.9 | Very high | 211 Ų | 211 | 139 Ų | 139 | 80% | 0.796 | 73% | 0.733 | S | S | * | * | trans | -108.9 | 143.4 | 175.5 | -63 | -179.2 | -178.6 | -116.7 | 0.7 | 110.2 | ||||
| 86 | P | 91 | Very high | 93.1 | Very high | 89 Ų | 89 | 138.2 Ų | 138.2 | 58% | 0.578 | 73% | 0.73 | S | S | * | * | trans | -56.9 | 138.8 | 171.9 | -24 | 33.9 | 0 | 0 | 0 | 111.3 | F88 | P86-F88 HydrophobicContact CB-CE2 4.26Š| ||
| 87 | I | 90.4 | Very high | 93.4 | Very high | 121 Ų | 121 | 138.6 Ų | 138.6 | 62% | 0.621 | 72% | 0.722 | S | S | * | * | trans | -117.7 | 113.8 | 178.2 | -55.4 | 176.3 | 0 | 0 | 0 | 108.6 | R89 | I87-R89 HydrophobicContact CG2-CG 4.24Š| ||
| 88 | F | 90.8 | Very high | 93.7 | Very high | 157 Ų | 157 | 138.1 Ų | 138.1 | 69% | 0.689 | 72% | 0.715 | S | S | * | * | trans | -85.5 | 124.6 | 172.6 | -68.9 | -88 | 0 | 0 | 0 | 109.9 | P86 S121 | P86-F88 HydrophobicContact CB-CE2 4.26Å; F88-S121 WeakPolarHBondContact CE1-OG 3.41Å; F88-S121 VanDerWaalsContact CZ-OG 3.31Å; F88-S121 WeakPolarHBondContact CZ-OG 3.11Å | ||
| 89 | R | 90.9 | Very high | 93.9 | Very high | 205 Ų | 205 | 134.1 Ų | 134.1 | 77% | 0.774 | 69% | 0.694 | S | S | * | * | trans | -114.7 | 138.5 | 175.8 | -60.4 | -62.9 | -170.1 | 179.3 | -1 | 108.7 | I87 | I87-R89 HydrophobicContact CG2-CG 4.24Š| ||
| 90 | S | 91.8 | Very high | 94.1 | Very high | 117 Ų | 117 | 129.8 Ų | 129.8 | 82% | 0.818 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -64 | 148.8 | 169.4 | 51.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 91 | R | 91.1 | Very high | 94.3 | Very high | 238 Ų | 238 | 125.2 Ų | 125.2 | 90% | 0.898 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 143.2 | 176.1 | 68.3 | -179.2 | -178.3 | -136.1 | -0.1 | 110.6 | ||
| 92 | R | 94.5 | Very high | 94.4 | Very high | 227 Ų | 227 | 119.5 Ų | 119.5 | 86% | 0.857 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 140.6 | 171.4 | -67.1 | -174.5 | -179.3 | -113.3 | 2.1 | 109.7 | V94 | R92-V94 PolarHBondContact O-N 3.19Š|
| 93 | P | 95.5 | Very high | 94.5 | Very high | 131 Ų | 131 | 118.4 Ų | 118.4 | 85% | 0.851 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 135.5 | 173.4 | 25.8 | -31 | 0 | 0 | 0 | 109.8 | ||
| 94 | V | 94.6 | Very high | 94.6 | Very high | 70 Ų | 70 | 123.5 Ų | 123.5 | 42% | 0.424 | 62% | 0.617 | S | S | . | * | trans | -105.5 | 135.4 | 175.1 | 179.5 | 0 | 0 | 0 | 0 | 107.5 | R92 L98 L99 V102 | R92-V94 PolarHBondContact O-N 3.19Å; V94-L98 HydrophobicContact CG1-CB 3.99Å; V94-L99 HydrophobicContact CB-CD2 3.99Å; V94-L99 HydrophobicContact CG1-CD2 4Å; V94-V102 HydrophobicContact CG1-CG2 4.15Å | ||
| 95 | A | 96.9 | Very high | 94.8 | Very high | 53 Ų | 53 | 124.6 Ų | 124.6 | 44% | 0.438 | 62% | 0.617 | S | S | . | * | trans | -59.8 | 139.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110.5 | T97 L98 L99 | A95-T97 PolarHBondContact O-N 3.21Å; A95-T97 VanDerWaalsContact O-N 3.13Å; A95-L98 HydrophobicContact CB-CD1 4.19Å; A95-L98 HydrophobicContact CB-CG 4.35Å; A95-L98 PolarHBondContact O-N 2.87Å; A95-L99 PolarHBondContact O-N 2.83Å | ||
| 96 | F | 96.5 | Very high | 95 | Very high | 172 Ų | 172 | 118.3 Ų | 118.3 | 75% | 0.754 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -55.1 | -37.4 | -175.4 | 125.3 | -95.8 | 0 | 0 | 0 | 112.7 | L98 L99 | F96-L98 PolarHBondContact O-N 3.34Å; F96-L99 PolarHBondContact O-N 2.94Å |
| 97 | T | 97.3 | Very high | 95.2 | Very high | 101 Ų | 101 | 118 Ų | 118 | 62% | 0.62 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -64.4 | -23.2 | 179.7 | 52 | 0 | 0 | 0 | 0 | 113.3 | A95 | A95-T97 PolarHBondContact O-N 3.21Å; A95-T97 VanDerWaalsContact O-N 3.13Å |
| 98 | L | 97 | Very high | 95.4 | Very high | 103 Ų | 103 | 114 Ų | 114 | 54% | 0.539 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -95.1 | -16.7 | -177.8 | -62.2 | 175.9 | 0 | 0 | 0 | 113.1 | V94 A95 F96 P100 G101 V102 | V94-L98 HydrophobicContact CG1-CB 3.99Å; A95-L98 HydrophobicContact CB-CD1 4.19Å; A95-L98 HydrophobicContact CB-CG 4.35Å; A95-L98 PolarHBondContact O-N 2.87Å; F96-L98 PolarHBondContact O-N 3.34Å; L98-P100 VanDerWaalsContact C-CD 3.48Å; L98-G101 PolarHBondContact O-N 3.23Å; L98-V102 WeakPolarHBondContact O-CG2 3.23Å; L98-V102 PolarHBondContact O-N 3.48Å |
| 99 | L | 96.3 | Very high | 95.6 | Very high | 73 Ų | 73 | 108.5 Ų | 108.5 | 38% | 0.382 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -51.2 | -48.5 | -177.6 | -68 | 171.6 | 0 | 0 | 0 | 112.7 | V94 A95 F96 G101 V102 D103 | V94-L99 HydrophobicContact CB-CD2 3.99Å; V94-L99 HydrophobicContact CG1-CD2 4Å; A95-L99 PolarHBondContact O-N 2.83Å; F96-L99 PolarHBondContact O-N 2.94Å; L99-G101 PolarHBondContact O-N 2.73Å; L99-V102 PolarHBondContact O-N 2.9Å; L99-V102 VanDerWaalsContact O-N 3.15Å; L99-D103 WeakPolarHBondContact O-CB 3.45Å; L99-D103 VanDerWaalsContact O-CG 3.26Å; L99-D103 PolarHBondContact O-N 3.25Å |
| 100 | P | 98 | Very high | 95.9 | Very high | 70 Ų | 70 | 102.3 Ų | 102.3 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.6 | -31.1 | -178.6 | -20.6 | 33.3 | 0 | 0 | 0 | 113.4 | L98 R104 | L98-P100 VanDerWaalsContact C-CD 3.48Å; P100-R104 WeakPolarHBondContact O-CB 3.46Å; P100-R104 WeakPolarHBondContact O-CD 3.4Å; P100-R104 WeakPolarHBondContact O-CG 3.48Å; P100-R104 PolarHBondContact O-N 3.06Å |
| 101 | G | 97.4 | Very high | 95.9 | Very high | 45 Ų | 45 | 104 Ų | 104 | 46% | 0.464 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.1 | -44.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L98 L99 E105 | L98-G101 PolarHBondContact O-N 3.23Å; L99-G101 PolarHBondContact O-N 2.73Å; G101-E105 PolarHBondContact O-N 2.77Å |
| 102 | V | 96.9 | Very high | 95.9 | Very high | 60 Ų | 60 | 94.3 Ų | 94.3 | 36% | 0.364 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 178 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | V94 L98 L99 R104 E105 L106 | V94-V102 HydrophobicContact CG1-CG2 4.15Å; L98-V102 WeakPolarHBondContact O-CG2 3.23Å; L98-V102 PolarHBondContact O-N 3.48Å; L99-V102 PolarHBondContact O-N 2.9Å; L99-V102 VanDerWaalsContact O-N 3.15Å; V102-R104 PolarHBondContact O-N 2.98Å; V102-E105 PolarHBondContact O-N 3.22Å; V102-L106 HydrophobicContact CG1-CD1 3.96Å; V102-L106 HydrophobicContact CG1-CG 4.34Å; V102-L106 WeakPolarHBondContact O-CG 3.33Å; V102-L106 PolarHBondContact O-N 3.44Å |
| 103 | D | 97.1 | Very high | 95.7 | Very high | 83 Ų | 83 | 86.4 Ų | 86.4 | 44% | 0.444 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | -178.9 | -66.6 | -26.7 | 0 | 0 | 0 | 111.3 | L99 E105 L106 D107 | L99-D103 WeakPolarHBondContact O-CB 3.45Å; L99-D103 VanDerWaalsContact O-CG 3.26Å; L99-D103 PolarHBondContact O-N 3.25Å; D103-E105 VanDerWaalsContact C-N 3.3Å; D103-E105 PolarHBondContact O-N 3.06Å; D103-L106 PolarHBondContact O-N 3.09Å; D103-D107 WeakPolarHBondContact O-CB 3.41Å; D103-D107 VanDerWaalsContact O-CG 3.31Å; D103-D107 PolarHBondContact O-N 2.71Å |
| 104 | R | 97.7 | Very high | 95.6 | Very high | 184 Ų | 184 | 84.1 Ų | 84.1 | 69% | 0.694 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -59.3 | -40.4 | 175.8 | -78.3 | 172.7 | -171.6 | 178.6 | 3.9 | 112.8 | P100 V102 C108 | P100-R104 WeakPolarHBondContact O-CB 3.46Å; P100-R104 WeakPolarHBondContact O-CD 3.4Å; P100-R104 WeakPolarHBondContact O-CG 3.48Å; P100-R104 PolarHBondContact O-N 3.06Å; V102-R104 PolarHBondContact O-N 2.98Å; R104-C108 WeakPolarHBondContact O-CB 3.35Å; R104-C108 PolarHBondContact O-N 3.42Å |
| 105 | E | 96.8 | Very high | 95.6 | Very high | 107 Ų | 107 | 84.4 Ų | 84.4 | 50% | 0.5 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -71.8 | -43 | 179.4 | -171 | 57.4 | -150.2 | 0 | 0 | 110.9 | G101 V102 D103 D107 C108 L109 | G101-E105 PolarHBondContact O-N 2.77Å; V102-E105 PolarHBondContact O-N 3.22Å; D103-E105 VanDerWaalsContact C-N 3.3Å; D103-E105 PolarHBondContact O-N 3.06Å; E105-D107 VanDerWaalsContact C-N 3.34Å; E105-D107 PolarHBondContact O-N 3.36Å; E105-C108 WeakPolarHBondContact O-CA 3.4Å; E105-C108 VanDerWaalsContact O-CB 3.27Å; E105-C108 WeakPolarHBondContact O-CB 3.43Å; E105-C108 PolarHBondContact O-N 3.46Å; E105-L109 HydrophobicContact CG-CD1 4.41Å; E105-L109 WeakPolarHBondContact O-CG 3.16Å; E105-L109 PolarHBondContact O-N 3.16Å |
| 106 | L | 96.6 | Very high | 95.5 | Very high | 79 Ų | 79 | 86.6 Ų | 86.6 | 41% | 0.414 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57.7 | -46.5 | 174.4 | -70.6 | 175 | 0 | 0 | 0 | 111.5 | V102 D103 C108 L109 E110 L115 | V102-L106 HydrophobicContact CG1-CD1 3.96Å; V102-L106 HydrophobicContact CG1-CG 4.34Å; V102-L106 WeakPolarHBondContact O-CG 3.33Å; V102-L106 PolarHBondContact O-N 3.44Å; D103-L106 PolarHBondContact O-N 3.09Å; L106-C108 VanDerWaalsContact C-N 3.25Å; L106-C108 PolarHBondContact O-N 3.19Å; L106-L109 PolarHBondContact O-N 3.31Å; L106-E110 PolarHBondContact O-N 3.16Å; L106-L115 HydrophobicContact CD2-CD1 3.95Å |
| 107 | D | 96.4 | Very high | 95.4 | Very high | 82 Ų | 82 | 86.7 Ų | 86.7 | 44% | 0.439 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.3 | -36.8 | 174.8 | -72 | -20.6 | 0 | 0 | 0 | 112 | D103 E105 R111 | D103-D107 WeakPolarHBondContact O-CB 3.41Å; D103-D107 VanDerWaalsContact O-CG 3.31Å; D103-D107 PolarHBondContact O-N 2.71Å; E105-D107 VanDerWaalsContact C-N 3.34Å; E105-D107 PolarHBondContact O-N 3.36Å; D107-R111 VanDerWaalsContact CB-NH2 3.29Å; D107-R111 VanDerWaalsContact O-CB 3.3Å; D107-R111 WeakPolarHBondContact O-CB 3.34Å; D107-R111 WeakPolarHBondContact O-CG 3.46Å; D107-R111 PolarHBondContact O-N 3.31Å; D107-R111 PolarHBondContact O-NE 3.48Å |
| 108 | C | 94 | Very high | 95.2 | Very high | 37 Ų | 37 | 87 Ų | 87 | 25% | 0.25 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 176.7 | -167.6 | 0 | 0 | 0 | 0 | 111.2 | R104 E105 L106 R111 N112 | R104-C108 WeakPolarHBondContact O-CB 3.35Å; R104-C108 PolarHBondContact O-N 3.42Å; E105-C108 WeakPolarHBondContact O-CA 3.4Å; E105-C108 VanDerWaalsContact O-CB 3.27Å; E105-C108 WeakPolarHBondContact O-CB 3.43Å; E105-C108 PolarHBondContact O-N 3.46Å; L106-C108 VanDerWaalsContact C-N 3.25Å; L106-C108 PolarHBondContact O-N 3.19Å; C108-R111 PolarHBondContact O-N 3.34Å; C108-N112 WeakPolarHBondContact O-CB 3.09Å; C108-N112 PolarHBondContact O-N 3.37Å; C108-N112 PolarHBondContact O-ND2 3.42Å; C108-N112 PolarHBondContact SG-ND2 2.8Å; C108-N112 VanDerWaalsContact SG-ND2 3.44Å |
| 109 | L | 95.6 | Very high | 94.9 | Very high | 41 Ų | 41 | 89 Ų | 89 | 22% | 0.215 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 179.2 | -64.9 | 175.7 | 0 | 0 | 0 | 111.8 | E105 L106 N112 G113 I114 L115 | E105-L109 HydrophobicContact CG-CD1 4.41Å; E105-L109 WeakPolarHBondContact O-CG 3.16Å; E105-L109 PolarHBondContact O-N 3.16Å; L106-L109 PolarHBondContact O-N 3.31Å; L109-N112 PolarHBondContact O-N 3.13Å; L109-G113 PolarHBondContact O-N 3.19Å; L109-I114 HydrophobicContact CB-CB 4.38Å; L109-I114 HydrophobicContact CD2-CB 4.34Å; L109-I114 HydrophobicContact CD2-CD1 3.74Å; L109-I114 HydrophobicContact CD2-CG2 4.29Å; L109-I114 PolarHBondContact O-N 2.84Å; L109-L115 HydrophobicContact CB-CB 4.42Å; L109-L115 HydrophobicContact CB-CD1 3.75Å; L109-L115 HydrophobicContact CB-CG 3.91Å; L109-L115 HydrophobicContact CD1-CD1 3.73Å; L109-L115 HydrophobicContact CD1-CG 4.37Å; L109-L115 HydrophobicContact CG-CD1 4.42Å; L109-L115 PolarHBondContact O-N 3Å |
| 110 | E | 95.3 | Very high | 94.3 | Very high | 76 Ų | 76 | 94.8 Ų | 94.8 | 36% | 0.355 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 172.5 | -73.2 | -167.1 | 174.8 | 0 | 0 | 111.1 | L106 N112 G113 L115 K117 | L106-E110 PolarHBondContact O-N 3.16Å; E110-N112 VanDerWaalsContact C-N 3.28Å; E110-N112 PolarHBondContact O-N 3.47Å; E110-G113 PolarHBondContact O-N 3.31Å; E110-L115 HydrophobicContact CG-CB 4.21Å; E110-K117 WeakPolarHBondContact OE1-CE 3.44Å |
| 111 | R | 92.6 | Very high | 93.1 | Very high | 151 Ų | 151 | 94.7 Ų | 94.7 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.2 | -33.7 | 176.4 | -80.7 | -177.2 | -92.6 | 104 | -1.6 | 113.4 | R67 D107 C108 G113 | R67-R111 PolarHBondContact NH2-O 2.83Å; D107-R111 VanDerWaalsContact CB-NH2 3.29Å; D107-R111 VanDerWaalsContact O-CB 3.3Å; D107-R111 WeakPolarHBondContact O-CB 3.34Å; D107-R111 WeakPolarHBondContact O-CG 3.46Å; D107-R111 PolarHBondContact O-N 3.31Å; D107-R111 PolarHBondContact O-NE 3.48Å; C108-R111 PolarHBondContact O-N 3.34Å; R111-G113 PolarHBondContact O-N 3.15Å |
| 112 | N | 91.3 | Very high | 91.5 | Very high | 35 Ų | 35 | 102.9 Ų | 102.9 | 19% | 0.187 | 53% | 0.532 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -5.6 | 174.7 | -77.9 | -70.3 | 0 | 0 | 0 | 113.4 | R67 I68 C108 L109 E110 I114 | R67-N112 WeakPolarHBondContact CA-OD1 3.44Å; I68-N112 PolarHBondContact N-OD1 3.06Å; C108-N112 WeakPolarHBondContact O-CB 3.09Å; C108-N112 PolarHBondContact O-N 3.37Å; C108-N112 PolarHBondContact O-ND2 3.42Å; C108-N112 PolarHBondContact SG-ND2 2.8Å; C108-N112 VanDerWaalsContact SG-ND2 3.44Å; L109-N112 PolarHBondContact O-N 3.13Å; E110-N112 VanDerWaalsContact C-N 3.28Å; E110-N112 PolarHBondContact O-N 3.47Å; N112-I114 VanDerWaalsContact C-N 3.27Å; N112-I114 HydrophobicContact CB-CD1 3.92Å; N112-I114 HydrophobicContact CB-CG1 4.07Å |
| 113 | G | 90.9 | Very high | 91.2 | Very high | 62 Ų | 62 | 105 Ų | 105 | 64% | 0.639 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | 19.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L109 E110 R111 | L109-G113 PolarHBondContact O-N 3.19Å; E110-G113 PolarHBondContact O-N 3.31Å; R111-G113 PolarHBondContact O-N 3.15Å |
| 114 | I | 93.1 | Very high | 90.9 | Very high | 82 Ų | 82 | 106.2 Ų | 106.2 | 42% | 0.421 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -81.9 | -37.5 | 178.6 | -63.3 | 169.6 | 0 | 0 | 0 | 110.3 | I68 L109 N112 | I68-I114 HydrophobicContact CB-CD1 4.29Å; I68-I114 HydrophobicContact CD1-CD1 3.71Å; I68-I114 HydrophobicContact CG2-CD1 4.19Å; L109-I114 HydrophobicContact CB-CB 4.38Å; L109-I114 HydrophobicContact CD2-CB 4.34Å; L109-I114 HydrophobicContact CD2-CD1 3.74Å; L109-I114 HydrophobicContact CD2-CG2 4.29Å; L109-I114 PolarHBondContact O-N 2.84Å; N112-I114 VanDerWaalsContact C-N 3.27Å; N112-I114 HydrophobicContact CB-CD1 3.92Å; N112-I114 HydrophobicContact CB-CG1 4.07Å |
| 115 | L | 94.7 | Very high | 90.5 | Very high | 76 Ų | 76 | 101.8 Ų | 101.8 | 40% | 0.398 | 54% | 0.537 | S | S | . | . | trans | -114.5 | 149.9 | 177.2 | -64.4 | 179.2 | 0 | 0 | 0 | 111.1 | L106 L109 E110 | L106-L115 HydrophobicContact CD2-CD1 3.95Å; L109-L115 HydrophobicContact CB-CB 4.42Å; L109-L115 HydrophobicContact CB-CD1 3.75Å; L109-L115 HydrophobicContact CB-CG 3.91Å; L109-L115 HydrophobicContact CD1-CD1 3.73Å; L109-L115 HydrophobicContact CD1-CG 4.37Å; L109-L115 HydrophobicContact CG-CD1 4.42Å; L109-L115 PolarHBondContact O-N 3Å; E110-L115 HydrophobicContact CG-CB 4.21Å | ||
| 116 | S | 94.2 | Very high | 90.1 | Very high | 100 Ų | 100 | 101.5 Ų | 101.5 | 70% | 0.699 | 54% | 0.539 | S | S | * | . | trans | -140.4 | 151.2 | 172.3 | 62.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 117 | K | 93.9 | Very high | 89.7 | Confident | 174 Ų | 174 | 102.9 Ų | 102.9 | 76% | 0.757 | 55% | 0.547 | S | S | * | . | trans | -76.6 | 134.4 | 178.4 | -62.2 | -177.3 | -177 | 176.4 | 0 | 110 | E110 | E110-K117 WeakPolarHBondContact OE1-CE 3.44Š| ||
| 118 | V | 93.5 | Very high | 89.3 | Confident | 106 Ų | 106 | 104.3 Ų | 104.3 | 64% | 0.642 | 55% | 0.554 | S | S | * | * | trans | -129.6 | 143.2 | 177.5 | -64.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 119 | N | 90.7 | Very high | 89 | Confident | 145 Ų | 145 | 109.1 Ų | 109.1 | 78% | 0.775 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -86.5 | -25.2 | 176.2 | -65.2 | -31.5 | 0 | 0 | 0 | 112.1 | ||
| 120 | Y | 84 | Confident | 88.4 | Confident | 195 Ų | 195 | 114.4 Ų | 114.4 | 77% | 0.765 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -140.4 | 139.3 | -175.5 | -40.5 | -74.2 | 0 | 0 | 0 | 109 | ||
| 121 | S | 72.9 | Confident | 87.9 | Confident | 68 Ų | 68 | 117.6 Ų | 117.6 | 48% | 0.476 | 62% | 0.624 | S | S | . | * | trans | -86.8 | 131 | 168.1 | 64.2 | 0 | 0 | 0 | 0 | 109.3 | F88 | F88-S121 WeakPolarHBondContact CE1-OG 3.41Å; F88-S121 VanDerWaalsContact CZ-OG 3.31Å; F88-S121 WeakPolarHBondContact CZ-OG 3.11Å | ||
| 122 | N | 62.9 | Low | 87.5 | Confident | 217 Ų | 217 | 114.5 Ų | 114.5 | 100% | 1.16 | 63% | 0.629 | S | S | * | * | trans | -64.7 | 0 | 172.5 | -70 | -28.8 | 0 | 0 | 0 | 112.6 |
Retrieved 122 of 122 residues in 61 ms
(Link to these results)