| 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 | 51.2 | Low | 67 | Low | 64 Ų | 64 | 77.8 Ų | 77.8 | 32% | 0.315 | 44% | 0.442 | S | S | . | . | 0 | 111 | 0 | -49 | -174.9 | 88.2 | 0 | 0 | 113.2 | F13 K61 D64 | M1-F13 HydrophobicContact CE-CD2 3.83Å; M1-F13 HydrophobicContact CE-CE1 4.31Å; M1-F13 HydrophobicContact CE-CE2 3.4Å; M1-F13 VanDerWaalsContact CE-CE2 3.4Å; M1-F13 HydrophobicContact CE-CG 4.44Å; M1-F13 HydrophobicContact CE-CZ 3.69Å; M1-K61 HydrophobicContact CB-CD 4Å; M1-K61 HydrophobicContact CG-CD 3.95Å; M1-K61 PolarHBondContact O-NZ 2.97Å; M1-K61 HydrophobicContact SD-CD 4.27Å; M1-D64 HydrophobicContact CG-CB 4.37Å; M1-D64 WeakPolarHBondContact CG-OD2 3.24Å; M1-D64 HydrophobicContact SD-CB 4.07Å | |||
| 2 | P | 53.9 | Low | 67.8 | Low | 106 Ų | 106 | 78.8 Ų | 78.8 | 69% | 0.688 | 46% | 0.457 | S | S | * | . | trans | -61.3 | 162.1 | 157.7 | 29 | -32.8 | 0 | 0 | 0 | 110 | ||||
| 3 | A | 58.8 | Low | 68.3 | Low | 84 Ų | 84 | 74.5 Ų | 74.5 | 69% | 0.694 | 43% | 0.43 | S | S | * | . | trans | -54.5 | 139.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | S5 | A3-S5 PolarHBondContact O-N 3.23Š| ||
| 4 | P | 61.8 | Low | 69.1 | Low | 42 Ų | 42 | 69.8 Ų | 69.8 | 27% | 0.273 | 40% | 0.402 | S | S | . | . | trans | -54.7 | 114.1 | 176.2 | 19.9 | -28.6 | 0 | 0 | 0 | 108.1 | D6 Y9 L10 W44 | P4-D6 PolarHBondContact O-N 3.05Å; P4-Y9 HydrophobicContact CB-CD1 4.09Å; P4-L10 HydrophobicContact CB-CB 4.44Å; P4-W44 HydrophobicContact CB-CH2 4.13Å; P4-W44 HydrophobicContact CB-CZ2 3.9Å; P4-W44 HydrophobicContact CG-CH2 4.02Å; P4-W44 HydrophobicContact CG-CZ2 3.82Å; P4-W44 WeakPolarHBondContact O-CZ2 3.49Å | ||
| 5 | S | 65.6 | Low | 69.8 | Low | 108 Ų | 108 | 68 Ų | 68 | 76% | 0.755 | 41% | 0.405 | S | S | * | . | trans | -72 | -26.7 | -174.5 | 53.8 | 0 | 0 | 0 | 0 | 111.6 | A3 | A3-S5 PolarHBondContact O-N 3.23Š| ||
| 6 | D | 69.2 | Low | 69.9 | Low | 85 Ų | 85 | 69 Ų | 69 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -150.2 | 154.4 | -174.5 | -168.1 | 14 | 0 | 0 | 0 | 111.8 | P4 S8 Y9 L10 | P4-D6 PolarHBondContact O-N 3.05Å; D6-S8 PolarHBondContact O-N 3.12Å; D6-S8 PolarHBondContact OD2-OG 2.99Å; D6-Y9 PolarHBondContact O-N 3.44Å; D6-L10 PolarHBondContact O-N 3.45Å |
| 7 | Q | 71.8 | Confident | 70.1 | Confident | 61 Ų | 61 | 65.8 Ų | 65.8 | 29% | 0.285 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.3 | -33.4 | 178.1 | -167.1 | -179.3 | 8.3 | 0 | 0 | 111.6 | L10 R11 L38 | Q7-L10 PolarHBondContact O-N 3.22Å; Q7-R11 VanDerWaalsContact NE2-NH2 3.17Å; Q7-R11 PolarHBondContact O-N 2.96Å; Q7-L38 HydrophobicContact CG-CD2 3.47Å; Q7-L38 VanDerWaalsContact CG-CD2 3.47Å |
| 8 | S | 74.9 | Confident | 70.4 | Confident | 68 Ų | 68 | 67.3 Ų | 67.3 | 48% | 0.476 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 176.5 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | D6 L10 R11 S12 | D6-S8 PolarHBondContact O-N 3.12Å; D6-S8 PolarHBondContact OD2-OG 2.99Å; S8-L10 VanDerWaalsContact C-N 3.31Å; S8-L10 PolarHBondContact O-N 3.31Å; S8-R11 PolarHBondContact O-N 3.32Å; S8-S12 PolarHBondContact O-N 3.26Å; S8-S12 VanDerWaalsContact O-N 3.1Å; S8-S12 PolarHBondContact O-OG 3.47Å |
| 9 | Y | 74.8 | Confident | 70.6 | Confident | 102 Ų | 102 | 73.2 Ų | 73.2 | 40% | 0.4 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 176.7 | 178.5 | -97.7 | 0 | 0 | 0 | 111.3 | P4 D6 R11 S12 F13 | P4-Y9 HydrophobicContact CB-CD1 4.09Å; D6-Y9 PolarHBondContact O-N 3.44Å; Y9-R11 VanDerWaalsContact C-N 3.34Å; Y9-R11 PolarHBondContact O-N 3.48Å; Y9-S12 PolarHBondContact O-N 2.9Å; Y9-F13 VanDerWaalsContact O-CB 3.3Å; Y9-F13 WeakPolarHBondContact O-CB 3.27Å; Y9-F13 PolarHBondContact O-N 2.92Å |
| 10 | L | 77.6 | Confident | 70.4 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.01 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 177.1 | 179.2 | 65.3 | 0 | 0 | 0 | 112 | P4 D6 Q7 S8 F13 L14 F34 L37 L38 W44 | P4-L10 HydrophobicContact CB-CB 4.44Å; D6-L10 PolarHBondContact O-N 3.45Å; Q7-L10 PolarHBondContact O-N 3.22Å; S8-L10 VanDerWaalsContact C-N 3.31Å; S8-L10 PolarHBondContact O-N 3.31Å; L10-F13 PolarHBondContact O-N 3.08Å; L10-L14 HydrophobicContact CD1-CD1 4.39Å; L10-L14 HydrophobicContact CD1-CG 4.25Å; L10-L14 HydrophobicContact CG-CD1 4.15Å; L10-L14 HydrophobicContact CG-CG 4.43Å; L10-L14 WeakPolarHBondContact O-CB 3.49Å; L10-L14 WeakPolarHBondContact O-CG 3.3Å; L10-L14 PolarHBondContact O-N 3.18Å; L10-F34 HydrophobicContact CD1-CB 4.4Å; L10-F34 HydrophobicContact CD1-CD1 3.37Å; L10-F34 HydrophobicContact CD1-CE1 3.92Å; L10-F34 HydrophobicContact CD1-CG 4.16Å; L10-F34 HydrophobicContact CD2-CB 4.38Å; L10-F34 HydrophobicContact CD2-CD1 4.08Å; L10-F34 HydrophobicContact CG-CD1 4.34Å; L10-L37 HydrophobicContact CD2-CB 3.96Å; L10-L37 HydrophobicContact CD2-CD1 3.78Å; L10-L37 HydrophobicContact CD2-CG 4.44Å; L10-L38 HydrophobicContact CD2-CD2 4.12Å; L10-L38 HydrophobicContact CD2-CG 4.26Å; L10-W44 HydrophobicContact CB-CH2 4.12Å; L10-W44 HydrophobicContact CD2-CH2 3.69Å; L10-W44 HydrophobicContact CD2-CZ3 3.68Å; L10-W44 HydrophobicContact CG-CH2 4.45Å |
| 11 | R | 77 | Confident | 70.4 | Confident | 134 Ų | 134 | 68.4 Ų | 68.4 | 51% | 0.506 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.7 | -46 | 177.1 | -77.4 | -172.3 | 179.2 | 123.7 | -0.2 | 112.1 | Q7 S8 Y9 F13 L14 G15 L38 | Q7-R11 VanDerWaalsContact NE2-NH2 3.17Å; Q7-R11 PolarHBondContact O-N 2.96Å; S8-R11 PolarHBondContact O-N 3.32Å; Y9-R11 VanDerWaalsContact C-N 3.34Å; Y9-R11 PolarHBondContact O-N 3.48Å; R11-F13 VanDerWaalsContact C-N 3.32Å; R11-F13 PolarHBondContact O-N 3.5Å; R11-L14 PolarHBondContact O-N 3.12Å; R11-G15 PolarHBondContact O-N 2.99Å; R11-L38 HydrophobicContact CG-CD1 3.93Å; R11-L38 HydrophobicContact CG-CD2 3.61Å; R11-L38 HydrophobicContact CG-CG 4.45Å |
| 12 | S | 77.1 | Confident | 71.3 | Confident | 90 Ų | 90 | 72.9 Ų | 72.9 | 63% | 0.629 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -60.9 | -44.1 | 177 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | S8 Y9 G15 L16 | S8-S12 PolarHBondContact O-N 3.26Å; S8-S12 VanDerWaalsContact O-N 3.1Å; S8-S12 PolarHBondContact O-OG 3.47Å; Y9-S12 PolarHBondContact O-N 2.9Å; S12-G15 PolarHBondContact O-N 3.34Å; S12-G15 VanDerWaalsContact O-N 3.16Å; S12-L16 PolarHBondContact O-N 3.07Å |
| 13 | F | 74.8 | Confident | 72 | Confident | 23 Ų | 23 | 75.2 Ų | 75.2 | 10% | 0.101 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 177 | 179.4 | -97.9 | 0 | 0 | 0 | 112.2 | M1 Y9 L10 R11 G15 L16 V17 L60 | M1-F13 HydrophobicContact CE-CD2 3.83Å; M1-F13 HydrophobicContact CE-CE1 4.31Å; M1-F13 HydrophobicContact CE-CE2 3.4Å; M1-F13 VanDerWaalsContact CE-CE2 3.4Å; M1-F13 HydrophobicContact CE-CG 4.44Å; M1-F13 HydrophobicContact CE-CZ 3.69Å; Y9-F13 VanDerWaalsContact O-CB 3.3Å; Y9-F13 WeakPolarHBondContact O-CB 3.27Å; Y9-F13 PolarHBondContact O-N 2.92Å; L10-F13 PolarHBondContact O-N 3.08Å; R11-F13 VanDerWaalsContact C-N 3.32Å; R11-F13 PolarHBondContact O-N 3.5Å; F13-G15 VanDerWaalsContact C-N 3.28Å; F13-G15 PolarHBondContact O-N 3.4Å; F13-L16 WeakPolarHBondContact O-CB 3.11Å; F13-L16 PolarHBondContact O-N 3.01Å; F13-V17 HydrophobicContact CD1-CG2 4.11Å; F13-V17 HydrophobicContact CE1-CG2 3.51Å; F13-V17 HydrophobicContact CE2-CG2 4.06Å; F13-V17 HydrophobicContact CZ-CG2 3.46Å; F13-V17 VanDerWaalsContact CZ-CG2 3.46Å; F13-V17 WeakPolarHBondContact O-CG2 3.44Å; F13-V17 PolarHBondContact O-N 2.93Å; F13-L60 HydrophobicContact CE1-CD1 4.37Å; F13-L60 HydrophobicContact CE1-CD2 3.36Å; F13-L60 HydrophobicContact CE1-CG 4.44Å; F13-L60 HydrophobicContact CZ-CD2 3.46Å; F13-L60 VanDerWaalsContact CZ-CD2 3.46Å |
| 14 | L | 78.6 | Confident | 72.4 | Confident | 8 Ų | 8 | 71.7 Ų | 71.7 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.9 | -33.2 | 174 | -76.7 | 175.4 | 0 | 0 | 0 | 112.7 | L10 R11 V17 N18 R31 F34 L38 | L10-L14 HydrophobicContact CD1-CD1 4.39Å; L10-L14 HydrophobicContact CD1-CG 4.25Å; L10-L14 HydrophobicContact CG-CD1 4.15Å; L10-L14 HydrophobicContact CG-CG 4.43Å; L10-L14 WeakPolarHBondContact O-CB 3.49Å; L10-L14 WeakPolarHBondContact O-CG 3.3Å; L10-L14 PolarHBondContact O-N 3.18Å; R11-L14 PolarHBondContact O-N 3.12Å; L14-V17 PolarHBondContact O-N 3.07Å; L14-N18 WeakPolarHBondContact O-CB 3.1Å; L14-N18 PolarHBondContact O-N 3.16Å; L14-R31 HydrophobicContact CD2-CG 3.85Å; L14-F34 HydrophobicContact CD1-CB 3.97Å; L14-F34 HydrophobicContact CD2-CB 4.08Å; L14-F34 HydrophobicContact CD2-CG 4.39Å; L14-F34 HydrophobicContact CG-CB 4.47Å; L14-L38 HydrophobicContact CD1-CD1 3.51Å; L14-L38 HydrophobicContact CD1-CG 4.38Å |
| 15 | G | 79.7 | Confident | 72.9 | Confident | 43 Ų | 43 | 76.9 Ų | 76.9 | 44% | 0.443 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R11 S12 F13 N18 Y19 | R11-G15 PolarHBondContact O-N 2.99Å; S12-G15 PolarHBondContact O-N 3.34Å; S12-G15 VanDerWaalsContact O-N 3.16Å; F13-G15 VanDerWaalsContact C-N 3.28Å; F13-G15 PolarHBondContact O-N 3.4Å; G15-N18 PolarHBondContact O-N 3.42Å; G15-Y19 PolarHBondContact O-N 3.47Å |
| 16 | L | 72.3 | Confident | 73.1 | Confident | 84 Ų | 84 | 74.6 Ų | 74.6 | 44% | 0.44 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.7 | -48.6 | 175.5 | -177.4 | 71.8 | 0 | 0 | 0 | 111.4 | S12 F13 N18 Y19 H20 | S12-L16 PolarHBondContact O-N 3.07Å; F13-L16 WeakPolarHBondContact O-CB 3.11Å; F13-L16 PolarHBondContact O-N 3.01Å; L16-N18 VanDerWaalsContact C-N 3.26Å; L16-N18 PolarHBondContact O-N 3.08Å; L16-Y19 WeakPolarHBondContact O-CB 3.49Å; L16-Y19 PolarHBondContact O-N 3.2Å; L16-Y19 VanDerWaalsContact O-N 3.12Å; L16-H20 PolarHBondContact O-CD2 3.47Å; L16-H20 PolarHBondContact O-N 3.13Å |
| 17 | V | 72.9 | Confident | 73.3 | Confident | 14 Ų | 14 | 71.6 Ų | 71.6 | 9% | 0.085 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.2 | -36 | 178.9 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | F13 L14 H20 G21 L27 L60 | F13-V17 HydrophobicContact CD1-CG2 4.11Å; F13-V17 HydrophobicContact CE1-CG2 3.51Å; F13-V17 HydrophobicContact CE2-CG2 4.06Å; F13-V17 HydrophobicContact CZ-CG2 3.46Å; F13-V17 VanDerWaalsContact CZ-CG2 3.46Å; F13-V17 WeakPolarHBondContact O-CG2 3.44Å; F13-V17 PolarHBondContact O-N 2.93Å; L14-V17 PolarHBondContact O-N 3.07Å; V17-H20 CarbonylContact O-C 3.45Å; V17-H20 PolarHBondContact O-N 2.64Å; V17-G21 PolarHBondContact O-N 3.13Å; V17-G21 VanDerWaalsContact O-N 3.12Å; V17-L27 HydrophobicContact CG1-CD1 3.16Å; V17-L27 HydrophobicContact CG1-CD2 4.09Å; V17-L27 HydrophobicContact CG1-CG 4.07Å; V17-L60 HydrophobicContact CG2-CD2 4.21Å |
| 18 | N | 75.5 | Confident | 73.5 | Confident | 93 Ų | 93 | 73 Ų | 73 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.7 | -33.7 | 175.8 | -165.3 | 70.6 | 0 | 0 | 0 | 112.5 | L14 G15 L16 H20 G21 R31 | L14-N18 WeakPolarHBondContact O-CB 3.1Å; L14-N18 PolarHBondContact O-N 3.16Å; G15-N18 PolarHBondContact O-N 3.42Å; L16-N18 VanDerWaalsContact C-N 3.26Å; L16-N18 PolarHBondContact O-N 3.08Å; N18-H20 PolarHBondContact O-N 2.93Å; N18-G21 PolarHBondContact O-N 3.41Å; N18-R31 PolarHBondContact OD1-NH1 3.15Å |
| 19 | Y | 74.4 | Confident | 73.5 | Confident | 180 Ų | 180 | 76.3 Ų | 76.3 | 71% | 0.706 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.8 | -34 | 172.5 | -177.7 | -99 | 0 | 0 | 0 | 111.7 | G15 L16 | G15-Y19 PolarHBondContact O-N 3.47Å; L16-Y19 WeakPolarHBondContact O-CB 3.49Å; L16-Y19 PolarHBondContact O-N 3.2Å; L16-Y19 VanDerWaalsContact O-N 3.12Å |
| 20 | H | 66.7 | Low | 73.4 | Confident | 25 Ų | 25 | 71.9 Ų | 71.9 | 12% | 0.116 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 9.9 | 174.3 | -60.3 | -70 | 0 | 0 | 0 | 113.8 | L16 V17 N18 D22 F23 V24 | L16-H20 PolarHBondContact O-CD2 3.47Å; L16-H20 PolarHBondContact O-N 3.13Å; V17-H20 CarbonylContact O-C 3.45Å; V17-H20 PolarHBondContact O-N 2.64Å; N18-H20 PolarHBondContact O-N 2.93Å; H20-D22 PolarHBondContact O-N 2.93Å; H20-F23 HydrophobicContact CB-CD2 4.41Å; H20-F23 PolarHBondContact O-N 3.16Å; H20-V24 WeakPolarHBondContact O-CG2 3.28Å; H20-V24 PolarHBondContact O-N 3.21Å |
| 21 | G | 70.2 | Confident | 73.5 | Confident | 20 Ų | 20 | 75.1 Ų | 75.1 | 21% | 0.206 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -59.9 | -31.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V17 N18 F23 V24 | V17-G21 PolarHBondContact O-N 3.13Å; V17-G21 VanDerWaalsContact O-N 3.12Å; N18-G21 PolarHBondContact O-N 3.41Å; G21-F23 PolarHBondContact O-N 3.06Å; G21-V24 PolarHBondContact O-N 3.22Å |
| 22 | D | 70.1 | Confident | 73.6 | Confident | 159 Ų | 159 | 71.3 Ų | 71.3 | 85% | 0.85 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -61.1 | -27.1 | 175.3 | -68.3 | -19.9 | 0 | 0 | 0 | 112.5 | H20 | H20-D22 PolarHBondContact O-N 2.93Š|
| 23 | F | 68.1 | Low | 73.4 | Confident | 155 Ų | 155 | 68.6 Ų | 68.6 | 68% | 0.68 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -95.7 | -16.6 | -178.6 | -52.8 | -77.9 | 0 | 0 | 0 | 112.8 | H20 G21 | H20-F23 HydrophobicContact CB-CD2 4.41Å; H20-F23 PolarHBondContact O-N 3.16Å; G21-F23 PolarHBondContact O-N 3.06Å |
| 24 | V | 68.4 | Low | 73.4 | Confident | 9 Ų | 9 | 68.1 Ų | 68.1 | 6% | 0.055 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -101.5 | 94.9 | -174.7 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | H20 G21 E26 L27 M30 W63 | H20-V24 WeakPolarHBondContact O-CG2 3.28Å; H20-V24 PolarHBondContact O-N 3.21Å; G21-V24 PolarHBondContact O-N 3.22Å; V24-E26 PolarHBondContact O-N 2.99Å; V24-L27 HydrophobicContact CB-CB 4.25Å; V24-L27 HydrophobicContact CB-CD1 3.68Å; V24-L27 HydrophobicContact CG1-CB 4.19Å; V24-L27 HydrophobicContact CG1-CD1 3.51Å; V24-L27 HydrophobicContact CG2-CD1 4.18Å; V24-L27 PolarHBondContact O-N 3.33Å; V24-L27 VanDerWaalsContact O-N 3.17Å; V24-M30 HydrophobicContact CG1-CE 3.28Å; V24-W63 HydrophobicContact CB-CH2 4.2Å; V24-W63 HydrophobicContact CB-CZ2 3.98Å; V24-W63 HydrophobicContact CG1-CD2 4.32Å; V24-W63 HydrophobicContact CG1-CH2 4.27Å; V24-W63 HydrophobicContact CG1-CZ2 3.54Å; V24-W63 HydrophobicContact CG2-CD2 3.88Å; V24-W63 HydrophobicContact CG2-CE3 3.82Å; V24-W63 HydrophobicContact CG2-CH2 3.73Å; V24-W63 HydrophobicContact CG2-CZ2 3.8Å; V24-W63 HydrophobicContact CG2-CZ3 3.74Å |
| 25 | H | 70.6 | Confident | 73.4 | Confident | 152 Ų | 152 | 70.9 Ų | 70.9 | 70% | 0.704 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 137 | 170.6 | -166.9 | 68 | 0 | 0 | 0 | 110.1 | L27 R59 | H25-L27 VanDerWaalsContact C-N 3.29Å; H25-L27 PolarHBondContact O-N 3.42Å; H25-R59 PolarHBondContact O-NH2 2.94Å |
| 26 | E | 71.4 | Confident | 73.2 | Confident | 60 Ų | 60 | 71.6 Ų | 71.6 | 28% | 0.28 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 28.9 | -176.6 | -49 | -177.4 | 127.4 | 0 | 0 | 116.6 | V24 S28 K29 M30 R59 | V24-E26 PolarHBondContact O-N 2.99Å; E26-S28 PolarHBondContact O-N 3.36Å; E26-K29 HydrophobicContact CB-CB 4.36Å; E26-K29 HydrophobicContact CB-CD 4.27Å; E26-K29 HydrophobicContact CB-CG 4.47Å; E26-K29 HydrophobicContact CG-CD 4.33Å; E26-K29 PolarHBondContact O-N 3.23Å; E26-K29 IonicContact OE1-NZ 3.61Å; E26-K29 PolarHBondContact OE1-NZ 2.95Å; E26-M30 PolarHBondContact O-N 3.21Å; E26-R59 IonicContact OE2-CZ 3.24Å; E26-R59 IonicContact OE2-NH1 3.25Å; E26-R59 PolarHBondContact OE2-NH1 3.34Å; E26-R59 IonicContact OE2-NH2 2.78Å; E26-R59 PolarHBondContact OE2-NH2 3.17Å |
| 27 | L | 73.3 | Confident | 73.2 | Confident | 21 Ų | 21 | 68.6 Ų | 68.6 | 11% | 0.11 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -51.3 | -43.7 | 173.3 | -164.9 | 80.6 | 0 | 0 | 0 | 112.1 | V17 V24 H25 K29 M30 R31 | V17-L27 HydrophobicContact CG1-CD1 3.16Å; V17-L27 HydrophobicContact CG1-CD2 4.09Å; V17-L27 HydrophobicContact CG1-CG 4.07Å; V24-L27 HydrophobicContact CB-CB 4.25Å; V24-L27 HydrophobicContact CB-CD1 3.68Å; V24-L27 HydrophobicContact CG1-CB 4.19Å; V24-L27 HydrophobicContact CG1-CD1 3.51Å; V24-L27 HydrophobicContact CG2-CD1 4.18Å; V24-L27 PolarHBondContact O-N 3.33Å; V24-L27 VanDerWaalsContact O-N 3.17Å; H25-L27 VanDerWaalsContact C-N 3.29Å; H25-L27 PolarHBondContact O-N 3.42Å; L27-K29 PolarHBondContact O-N 3.35Å; L27-M30 HydrophobicContact CD1-CE 4.35Å; L27-M30 PolarHBondContact O-N 2.74Å; L27-R31 WeakPolarHBondContact O-CB 3.11Å; L27-R31 PolarHBondContact O-N 3.14Å |
| 28 | S | 74.9 | Confident | 73.2 | Confident | 90 Ų | 90 | 69.4 Ų | 69.4 | 63% | 0.629 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -55.9 | -45.9 | -179.7 | 56.3 | 0 | 0 | 0 | 0 | 112.8 | E26 R31 A32 | E26-S28 PolarHBondContact O-N 3.36Å; S28-R31 PolarHBondContact O-N 3.49Å; S28-A32 PolarHBondContact O-N 3.1Å |
| 29 | K | 76.2 | Confident | 73.1 | Confident | 139 Ų | 139 | 72.7 Ų | 72.7 | 60% | 0.604 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -66 | -40.7 | 178.5 | -63.9 | -176.6 | -171.3 | 168.4 | 0 | 111.7 | E26 L27 R31 | E26-K29 HydrophobicContact CB-CB 4.36Å; E26-K29 HydrophobicContact CB-CD 4.27Å; E26-K29 HydrophobicContact CB-CG 4.47Å; E26-K29 HydrophobicContact CG-CD 4.33Å; E26-K29 PolarHBondContact O-N 3.23Å; E26-K29 IonicContact OE1-NZ 3.61Å; E26-K29 PolarHBondContact OE1-NZ 2.95Å; L27-K29 PolarHBondContact O-N 3.35Å; K29-R31 VanDerWaalsContact C-N 3.31Å |
| 30 | M | 72.6 | Confident | 73 | Confident | 9 Ų | 9 | 73.9 Ų | 73.9 | 4% | 0.044 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.2 | -31.2 | 176.4 | -73.9 | -167.9 | -80.4 | 0 | 0 | 113.1 | V24 E26 L27 P33 F34 T56 R59 | V24-M30 HydrophobicContact CG1-CE 3.28Å; E26-M30 PolarHBondContact O-N 3.21Å; L27-M30 HydrophobicContact CD1-CE 4.35Å; L27-M30 PolarHBondContact O-N 2.74Å; M30-P33 VanDerWaalsContact O-CD 3.25Å; M30-P33 WeakPolarHBondContact O-CD 3.41Å; M30-P33 VanDerWaalsContact O-CG 3.22Å; M30-P33 WeakPolarHBondContact O-CG 3.1Å; M30-F34 WeakPolarHBondContact O-CD2 3.48Å; M30-T56 HydrophobicContact CB-CG2 4.25Å; M30-T56 VanDerWaalsContact O-CG2 3.24Å; M30-T56 WeakPolarHBondContact O-CG2 3.45Å; M30-R59 HydrophobicContact CE-CG 4.17Å; M30-R59 HydrophobicContact SD-CB 3.69Å; M30-R59 WeakPolarHBondContact SD-CD 3.42Å; M30-R59 HydrophobicContact SD-CG 3.24Å; M30-R59 WeakPolarHBondContact SD-CG 3.27Å; M30-R59 PolarHBondContact SD-NE 2.99Å |
| 31 | R | 79.2 | Confident | 72.9 | Confident | 70 Ų | 70 | 76.4 Ų | 76.4 | 26% | 0.264 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -77.8 | -30.2 | -178.2 | -167.9 | -179 | 162.7 | 158.1 | -2.3 | 112.3 | L14 N18 L27 S28 K29 F34 D35 | L14-R31 HydrophobicContact CD2-CG 3.85Å; N18-R31 PolarHBondContact OD1-NH1 3.15Å; L27-R31 WeakPolarHBondContact O-CB 3.11Å; L27-R31 PolarHBondContact O-N 3.14Å; S28-R31 PolarHBondContact O-N 3.49Å; K29-R31 VanDerWaalsContact C-N 3.31Å; R31-F34 CarbonylContact O-C 3.56Å; R31-F34 WeakPolarHBondContact O-CA 3.22Å; R31-F34 WeakPolarHBondContact O-CB 3.36Å; R31-F34 PolarHBondContact O-N 3.44Å; R31-D35 WeakPolarHBondContact CD-OD2 3.45Å; R31-D35 WeakPolarHBondContact CG-OD2 3.36Å; R31-D35 IonicContact CZ-OD1 3.62Å; R31-D35 IonicContact NE-OD1 2.79Å; R31-D35 PolarHBondContact NE-OD1 3.41Å; R31-D35 IonicContact NE-OD2 3.47Å; R31-D35 PolarHBondContact NE-OD2 3.08Å; R31-D35 IonicContact NH2-OD1 3.73Å; R31-D35 PolarHBondContact NH2-OD1 3.12Å; R31-D35 PolarHBondContact O-N 2.77Å |
| 32 | A | 78.9 | Confident | 72.7 | Confident | 54 Ų | 54 | 77 Ų | 77 | 45% | 0.446 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -43 | -49.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S28 F34 D35 A36 | S28-A32 PolarHBondContact O-N 3.1Å; A32-F34 VanDerWaalsContact C-N 3.31Å; A32-F34 PolarHBondContact O-N 3.27Å; A32-D35 PolarHBondContact O-N 2.82Å; A32-A36 PolarHBondContact O-N 3Å; A32-A36 VanDerWaalsContact O-N 3.11Å |
| 33 | P | 72 | Confident | 72.5 | Confident | 33 Ų | 33 | 77.3 Ų | 77.3 | 21% | 0.214 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.8 | -36.5 | 175.4 | 22.5 | -34 | 0 | 0 | 0 | 112.9 | M30 A36 L37 T56 | M30-P33 VanDerWaalsContact O-CD 3.25Å; M30-P33 WeakPolarHBondContact O-CD 3.41Å; M30-P33 VanDerWaalsContact O-CG 3.22Å; M30-P33 WeakPolarHBondContact O-CG 3.1Å; P33-A36 WeakPolarHBondContact O-CB 3.31Å; P33-A36 PolarHBondContact O-N 3.48Å; P33-L37 WeakPolarHBondContact O-CG 3.37Å; P33-L37 PolarHBondContact O-N 2.82Å; P33-T56 HydrophobicContact CG-CG2 3.98Å |
| 34 | F | 76.2 | Confident | 72.5 | Confident | 13 Ų | 13 | 73.3 Ų | 73.3 | 6% | 0.057 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -74.6 | -37.8 | 178.4 | -61.4 | -77.9 | 0 | 0 | 0 | 113.6 | L10 L14 M30 R31 A32 A36 L37 L38 V52 T56 L60 | L10-F34 HydrophobicContact CD1-CB 4.4Å; L10-F34 HydrophobicContact CD1-CD1 3.37Å; L10-F34 HydrophobicContact CD1-CE1 3.92Å; L10-F34 HydrophobicContact CD1-CG 4.16Å; L10-F34 HydrophobicContact CD2-CB 4.38Å; L10-F34 HydrophobicContact CD2-CD1 4.08Å; L10-F34 HydrophobicContact CG-CD1 4.34Å; L14-F34 HydrophobicContact CD1-CB 3.97Å; L14-F34 HydrophobicContact CD2-CB 4.08Å; L14-F34 HydrophobicContact CD2-CG 4.39Å; L14-F34 HydrophobicContact CG-CB 4.47Å; M30-F34 WeakPolarHBondContact O-CD2 3.48Å; R31-F34 CarbonylContact O-C 3.56Å; R31-F34 WeakPolarHBondContact O-CA 3.22Å; R31-F34 WeakPolarHBondContact O-CB 3.36Å; R31-F34 PolarHBondContact O-N 3.44Å; A32-F34 VanDerWaalsContact C-N 3.31Å; A32-F34 PolarHBondContact O-N 3.27Å; F34-A36 PolarHBondContact O-N 3.44Å; F34-L37 HydrophobicContact CD1-CD1 3.84Å; F34-L37 HydrophobicContact CE1-CD1 4.48Å; F34-L37 WeakPolarHBondContact O-CA 3.33Å; F34-L37 VanDerWaalsContact O-CB 3.27Å; F34-L37 WeakPolarHBondContact O-CB 3.18Å; F34-L37 PolarHBondContact O-N 3.01Å; F34-L38 PolarHBondContact O-N 3.36Å; F34-L38 VanDerWaalsContact O-N 3.07Å; F34-V52 HydrophobicContact CD1-CG2 4.18Å; F34-V52 HydrophobicContact CE1-CB 4.48Å; F34-V52 HydrophobicContact CE1-CG1 4.21Å; F34-V52 HydrophobicContact CE1-CG2 3.5Å; F34-V52 VanDerWaalsContact CE1-CG2 3.5Å; F34-V52 HydrophobicContact CE2-CG1 4.04Å; F34-V52 HydrophobicContact CZ-CB 4.28Å; F34-V52 HydrophobicContact CZ-CG1 3.55Å; F34-V52 HydrophobicContact CZ-CG2 3.75Å; F34-T56 HydrophobicContact CD2-CG2 4.41Å; F34-T56 HydrophobicContact CE2-CG2 3.48Å; F34-T56 VanDerWaalsContact CE2-CG2 3.48Å; F34-T56 HydrophobicContact CZ-CG2 4.15Å; F34-L60 HydrophobicContact CD2-CD1 4.3Å; F34-L60 HydrophobicContact CE1-CD1 4.14Å; F34-L60 HydrophobicContact CE2-CD1 3.15Å; F34-L60 HydrophobicContact CE2-CG 4.45Å; F34-L60 HydrophobicContact CZ-CD1 3.03Å |
| 35 | D | 78.7 | Confident | 72.3 | Confident | 66 Ų | 66 | 79.7 Ų | 79.7 | 35% | 0.353 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.4 | -34.5 | 173.9 | -70.8 | -31.4 | 0 | 0 | 0 | 110.4 | R31 A32 L37 L38 R39 | R31-D35 WeakPolarHBondContact CD-OD2 3.45Å; R31-D35 WeakPolarHBondContact CG-OD2 3.36Å; R31-D35 IonicContact CZ-OD1 3.62Å; R31-D35 IonicContact NE-OD1 2.79Å; R31-D35 PolarHBondContact NE-OD1 3.41Å; R31-D35 IonicContact NE-OD2 3.47Å; R31-D35 PolarHBondContact NE-OD2 3.08Å; R31-D35 IonicContact NH2-OD1 3.73Å; R31-D35 PolarHBondContact NH2-OD1 3.12Å; R31-D35 PolarHBondContact O-N 2.77Å; A32-D35 PolarHBondContact O-N 2.82Å; D35-L37 VanDerWaalsContact C-N 3.29Å; D35-L37 PolarHBondContact O-N 3.28Å; D35-L38 PolarHBondContact O-N 3.12Å; D35-L38 VanDerWaalsContact O-N 3.13Å; D35-R39 PolarHBondContact O-N 3.27Å |
| 36 | A | 75.7 | Confident | 71.6 | Confident | 57 Ų | 57 | 78.5 Ų | 78.5 | 47% | 0.471 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.9 | -31.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A32 P33 F34 L38 R39 | A32-A36 PolarHBondContact O-N 3Å; A32-A36 VanDerWaalsContact O-N 3.11Å; P33-A36 WeakPolarHBondContact O-CB 3.31Å; P33-A36 PolarHBondContact O-N 3.48Å; F34-A36 PolarHBondContact O-N 3.44Å; A36-L38 VanDerWaalsContact C-N 3.33Å; A36-R39 WeakPolarHBondContact O-CB 3.3Å |
| 37 | L | 70.3 | Confident | 70.9 | Confident | 21 Ų | 21 | 76.9 Ų | 76.9 | 11% | 0.11 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -70.3 | -29.7 | 172.8 | -50.6 | 178.7 | 0 | 0 | 0 | 112.4 | L10 P33 F34 D35 R39 W44 S47 V52 | L10-L37 HydrophobicContact CD2-CB 3.96Å; L10-L37 HydrophobicContact CD2-CD1 3.78Å; L10-L37 HydrophobicContact CD2-CG 4.44Å; P33-L37 WeakPolarHBondContact O-CG 3.37Å; P33-L37 PolarHBondContact O-N 2.82Å; F34-L37 HydrophobicContact CD1-CD1 3.84Å; F34-L37 HydrophobicContact CE1-CD1 4.48Å; F34-L37 WeakPolarHBondContact O-CA 3.33Å; F34-L37 VanDerWaalsContact O-CB 3.27Å; F34-L37 WeakPolarHBondContact O-CB 3.18Å; F34-L37 PolarHBondContact O-N 3.01Å; D35-L37 VanDerWaalsContact C-N 3.29Å; D35-L37 PolarHBondContact O-N 3.28Å; L37-R39 VanDerWaalsContact C-N 3.33Å; L37-W44 HydrophobicContact CB-CE3 4.29Å; L37-W44 HydrophobicContact CB-CZ3 3.73Å; L37-W44 HydrophobicContact CD1-CH2 4.1Å; L37-W44 HydrophobicContact CD1-CZ3 3.99Å; L37-W44 HydrophobicContact CG-CZ3 4.38Å; L37-S47 VanDerWaalsContact CD2-OG 3.32Å; L37-S47 WeakPolarHBondContact CD2-OG 3.42Å; L37-V52 HydrophobicContact CD1-CG2 4.3Å |
| 38 | L | 73.9 | Confident | 70.1 | Confident | 32 Ų | 32 | 80.1 Ų | 80.1 | 17% | 0.168 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -85.7 | -4.9 | 179.9 | -68 | -176.4 | 0 | 0 | 0 | 113.8 | Q7 L10 R11 L14 F34 D35 A36 K40 | Q7-L38 HydrophobicContact CG-CD2 3.47Å; Q7-L38 VanDerWaalsContact CG-CD2 3.47Å; L10-L38 HydrophobicContact CD2-CD2 4.12Å; L10-L38 HydrophobicContact CD2-CG 4.26Å; R11-L38 HydrophobicContact CG-CD1 3.93Å; R11-L38 HydrophobicContact CG-CD2 3.61Å; R11-L38 HydrophobicContact CG-CG 4.45Å; L14-L38 HydrophobicContact CD1-CD1 3.51Å; L14-L38 HydrophobicContact CD1-CG 4.38Å; F34-L38 PolarHBondContact O-N 3.36Å; F34-L38 VanDerWaalsContact O-N 3.07Å; D35-L38 PolarHBondContact O-N 3.12Å; D35-L38 VanDerWaalsContact O-N 3.13Å; A36-L38 VanDerWaalsContact C-N 3.33Å; L38-K40 PolarHBondContact O-N 3.33Å |
| 39 | R | 73.9 | Confident | 69.1 | Low | 161 Ų | 161 | 83.5 Ų | 83.5 | 61% | 0.608 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -62.5 | 128.9 | -179.1 | -171.4 | 174.7 | 61.6 | 86.5 | 1.1 | 110.6 | D35 A36 L37 G41 A42 | D35-R39 PolarHBondContact O-N 3.27Å; A36-R39 WeakPolarHBondContact O-CB 3.3Å; L37-R39 VanDerWaalsContact C-N 3.33Å; R39-G41 PolarHBondContact O-N 3.23Å; R39-G41 VanDerWaalsContact O-N 3.14Å; R39-A42 HydrophobicContact CB-CB 4.46Å; R39-A42 WeakPolarHBondContact O-CB 3.35Å; R39-A42 PolarHBondContact O-N 2.94Å |
| 40 | K | 70.9 | Confident | 68.4 | Low | 206 Ų | 206 | 86.3 Ų | 86.3 | 90% | 0.896 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 119.4 | 175.7 | -168.6 | 177.6 | 179.4 | -177.7 | 0 | 109.3 | L38 | L38-K40 PolarHBondContact O-N 3.33Š|
| 41 | G | 66.1 | Low | 67.9 | Low | 78 Ų | 78 | 87.6 Ų | 87.6 | 80% | 0.804 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.9 | -4.5 | -179 | 0 | 0 | 0 | 0 | 0 | 116.1 | R39 R43 | R39-G41 PolarHBondContact O-N 3.23Å; R39-G41 VanDerWaalsContact O-N 3.14Å; G41-R43 PolarHBondContact O-N 3.18Å |
| 42 | A | 66 | Low | 67.4 | Low | 33 Ų | 33 | 86.3 Ų | 86.3 | 27% | 0.273 | 46% | 0.457 | S | S | . | . | trans | -73.1 | 123.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | R39 W44 | R39-A42 HydrophobicContact CB-CB 4.46Å; R39-A42 WeakPolarHBondContact O-CB 3.35Å; R39-A42 PolarHBondContact O-N 2.94Å; A42-W44 PolarHBondContact O-N 3.04Å | ||
| 43 | R | 65.2 | Low | 67 | Low | 165 Ų | 165 | 87.1 Ų | 87.1 | 62% | 0.623 | 46% | 0.458 | S | S | * | . | trans | -75.8 | 118.4 | 174.6 | -166.8 | -174.2 | -49.1 | -96.5 | -5 | 108.6 | G41 E45 Q46 S47 | G41-R43 PolarHBondContact O-N 3.18Å; R43-E45 HydrophobicContact CG-CB 4.35Å; R43-E45 PolarHBondContact O-N 3.32Å; R43-Q46 HydrophobicContact CB-CB 4.35Å; R43-Q46 PolarHBondContact O-N 2.94Å; R43-S47 PolarHBondContact O-N 3.35Å | ||
| 44 | W | 67.8 | Low | 67.1 | Low | 71 Ų | 71 | 90 Ų | 90 | 27% | 0.269 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -56.1 | -35.2 | -177.4 | -175.1 | -102.7 | 0 | 0 | 0 | 113.3 | P4 L10 L37 A42 Q46 S47 S48 | P4-W44 HydrophobicContact CB-CH2 4.13Å; P4-W44 HydrophobicContact CB-CZ2 3.9Å; P4-W44 HydrophobicContact CG-CH2 4.02Å; P4-W44 HydrophobicContact CG-CZ2 3.82Å; P4-W44 WeakPolarHBondContact O-CZ2 3.49Å; L10-W44 HydrophobicContact CB-CH2 4.12Å; L10-W44 HydrophobicContact CD2-CH2 3.69Å; L10-W44 HydrophobicContact CD2-CZ3 3.68Å; L10-W44 HydrophobicContact CG-CH2 4.45Å; L37-W44 HydrophobicContact CB-CE3 4.29Å; L37-W44 HydrophobicContact CB-CZ3 3.73Å; L37-W44 HydrophobicContact CD1-CH2 4.1Å; L37-W44 HydrophobicContact CD1-CZ3 3.99Å; L37-W44 HydrophobicContact CG-CZ3 4.38Å; A42-W44 PolarHBondContact O-N 3.04Å; W44-Q46 VanDerWaalsContact C-N 3.32Å; W44-Q46 PolarHBondContact O-N 3.43Å; W44-S47 PolarHBondContact O-N 3.4Å; W44-S47 PolarHBondContact O-OG 3.31Å; W44-S48 PolarHBondContact O-N 2.87Å |
| 45 | E | 64.7 | Low | 67.2 | Low | 143 Ų | 143 | 96.2 Ų | 96.2 | 67% | 0.668 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.2 | -40.9 | 177 | -64.6 | 171.4 | 166.9 | 0 | 0 | 112.1 | R43 S47 S48 | R43-E45 HydrophobicContact CG-CB 4.35Å; R43-E45 PolarHBondContact O-N 3.32Å; E45-S47 VanDerWaalsContact C-N 3.31Å; E45-S47 PolarHBondContact O-N 3.36Å; E45-S48 WeakPolarHBondContact O-CB 3.41Å; E45-S48 PolarHBondContact O-N 2.93Å; E45-S48 PolarHBondContact O-OG 3.49Å |
| 46 | Q | 56.5 | Low | 66.8 | Low | 127 Ų | 127 | 93.7 Ų | 93.7 | 59% | 0.593 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -77 | -22.2 | -174 | -155.9 | 173.7 | 23.1 | 0 | 0 | 112.5 | R43 W44 | R43-Q46 HydrophobicContact CB-CB 4.35Å; R43-Q46 PolarHBondContact O-N 2.94Å; W44-Q46 VanDerWaalsContact C-N 3.32Å; W44-Q46 PolarHBondContact O-N 3.43Å |
| 47 | S | 56.7 | Low | 66.8 | Low | 26 Ų | 26 | 92.6 Ų | 92.6 | 18% | 0.182 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -83.5 | -22.9 | 175.7 | 63 | 0 | 0 | 0 | 0 | 113 | L37 R43 W44 E45 E49 G51 | L37-S47 VanDerWaalsContact CD2-OG 3.32Å; L37-S47 WeakPolarHBondContact CD2-OG 3.42Å; R43-S47 PolarHBondContact O-N 3.35Å; W44-S47 PolarHBondContact O-N 3.4Å; W44-S47 PolarHBondContact O-OG 3.31Å; E45-S47 VanDerWaalsContact C-N 3.31Å; E45-S47 PolarHBondContact O-N 3.36Å; S47-E49 PolarHBondContact O-N 3.46Å; S47-G51 PolarHBondContact O-N 2.93Å |
| 48 | S | 56.5 | Low | 67.3 | Low | 88 Ų | 88 | 96.4 Ų | 96.4 | 62% | 0.615 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.5 | -34.4 | 168.7 | 79.8 | 0 | 0 | 0 | 0 | 111.8 | W44 E45 G51 | W44-S48 PolarHBondContact O-N 2.87Å; E45-S48 WeakPolarHBondContact O-CB 3.41Å; E45-S48 PolarHBondContact O-N 2.93Å; E45-S48 PolarHBondContact O-OG 3.49Å; S48-G51 PolarHBondContact O-N 2.87Å |
| 49 | E | 53.8 | Low | 67.5 | Low | 162 Ų | 162 | 96.7 Ų | 96.7 | 76% | 0.757 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -72.7 | -39.8 | -176.9 | -165.4 | 178.7 | -170.5 | 0 | 0 | 112.7 | S47 G51 | S47-E49 PolarHBondContact O-N 3.46Å; E49-G51 VanDerWaalsContact C-N 3.32Å |
| 50 | K | 60.8 | Low | 67.6 | Low | 198 Ų | 198 | 89.8 Ų | 89.8 | 86% | 0.861 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -80.1 | -18.4 | 170.9 | -67.7 | -165.2 | 178 | -177.5 | 0 | 113.1 | ||
| 51 | G | 62.6 | Low | 68 | Low | 36 Ų | 36 | 84.2 Ų | 84.2 | 37% | 0.371 | 45% | 0.451 | S | S | . | . | trans | 63 | 155.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S47 S48 E49 | S47-G51 PolarHBondContact O-N 2.93Å; S48-G51 PolarHBondContact O-N 2.87Å; E49-G51 VanDerWaalsContact C-N 3.32Å | ||
| 52 | V | 68.4 | Low | 68.7 | Low | 42 Ų | 42 | 89.7 Ų | 89.7 | 26% | 0.255 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -65.4 | 130.8 | 161.7 | 177.2 | 0 | 0 | 0 | 0 | 107.1 | F34 L37 S54 T56 A57 | F34-V52 HydrophobicContact CD1-CG2 4.18Å; F34-V52 HydrophobicContact CE1-CB 4.48Å; F34-V52 HydrophobicContact CE1-CG1 4.21Å; F34-V52 HydrophobicContact CE1-CG2 3.5Å; F34-V52 VanDerWaalsContact CE1-CG2 3.5Å; F34-V52 HydrophobicContact CE2-CG1 4.04Å; F34-V52 HydrophobicContact CZ-CB 4.28Å; F34-V52 HydrophobicContact CZ-CG1 3.55Å; F34-V52 HydrophobicContact CZ-CG2 3.75Å; L37-V52 HydrophobicContact CD1-CG2 4.3Å; V52-S54 PolarHBondContact O-N 3.3Å; V52-T56 HydrophobicContact CG1-CG2 3.67Å; V52-A57 HydrophobicContact CG1-CB 4.34Å |
| 53 | P | 69.9 | Low | 69.4 | Low | 72 Ų | 72 | 91.5 Ų | 91.5 | 47% | 0.468 | 45% | 0.447 | S | S | . | . | trans | -51.9 | 135.3 | 177.3 | -26.9 | 33.8 | 0 | 0 | 0 | 111.2 | Y55 T56 A57 | P53-Y55 PolarHBondContact O-N 3.21Å; P53-T56 WeakPolarHBondContact O-CA 3.45Å; P53-T56 WeakPolarHBondContact O-CB 3.18Å; P53-T56 PolarHBondContact O-N 2.97Å; P53-A57 PolarHBondContact O-N 3.47Å | ||
| 54 | S | 75.3 | Confident | 70.1 | Confident | 93 Ų | 93 | 85.6 Ų | 85.6 | 65% | 0.65 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -53.3 | -36.1 | -174.2 | -58.3 | 0 | 0 | 0 | 0 | 113.2 | V52 T56 A57 N58 | V52-S54 PolarHBondContact O-N 3.3Å; S54-T56 PolarHBondContact O-N 3.34Å; S54-A57 PolarHBondContact O-N 3.5Å; S54-N58 VanDerWaalsContact O-CB 3.23Å; S54-N58 WeakPolarHBondContact O-CB 3.35Å; S54-N58 PolarHBondContact O-N 2.73Å; S54-N58 PolarHBondContact O-ND2 3.22Å |
| 55 | Y | 76.8 | Confident | 70.7 | Confident | 144 Ų | 144 | 86.8 Ų | 86.8 | 57% | 0.565 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59.5 | -45.3 | 174.5 | 173.8 | -95.7 | 0 | 0 | 0 | 112.3 | P53 N58 R59 | P53-Y55 PolarHBondContact O-N 3.21Å; Y55-N58 PolarHBondContact O-N 2.99Å; Y55-R59 VanDerWaalsContact O-CB 3.28Å; Y55-R59 WeakPolarHBondContact O-CB 3.19Å; Y55-R59 PolarHBondContact O-N 3.37Å; Y55-R59 WeakPolarHBondContact OH-CD 3.39Å; Y55-R59 PolarHBondContact OH-NH1 3.45Å |
| 56 | T | 71.8 | Confident | 71.4 | Confident | 12 Ų | 12 | 82.5 Ų | 82.5 | 7% | 0.074 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66.1 | -44.5 | 177.9 | -58 | 0 | 0 | 0 | 0 | 111.2 | M30 P33 F34 V52 P53 S54 N58 R59 L60 | M30-T56 HydrophobicContact CB-CG2 4.25Å; M30-T56 VanDerWaalsContact O-CG2 3.24Å; M30-T56 WeakPolarHBondContact O-CG2 3.45Å; P33-T56 HydrophobicContact CG-CG2 3.98Å; F34-T56 HydrophobicContact CD2-CG2 4.41Å; F34-T56 HydrophobicContact CE2-CG2 3.48Å; F34-T56 VanDerWaalsContact CE2-CG2 3.48Å; F34-T56 HydrophobicContact CZ-CG2 4.15Å; V52-T56 HydrophobicContact CG1-CG2 3.67Å; P53-T56 WeakPolarHBondContact O-CA 3.45Å; P53-T56 WeakPolarHBondContact O-CB 3.18Å; P53-T56 PolarHBondContact O-N 2.97Å; S54-T56 PolarHBondContact O-N 3.34Å; T56-N58 PolarHBondContact O-N 3.39Å; T56-R59 PolarHBondContact O-N 2.92Å; T56-L60 HydrophobicContact CG2-CD1 4.24Å; T56-L60 WeakPolarHBondContact O-CB 3.48Å; T56-L60 PolarHBondContact O-N 3.39Å |
| 57 | A | 74.1 | Confident | 72.5 | Confident | 35 Ų | 35 | 77.7 Ų | 77.7 | 29% | 0.289 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | V52 P53 S54 R59 L60 K61 | V52-A57 HydrophobicContact CG1-CB 4.34Å; P53-A57 PolarHBondContact O-N 3.47Å; S54-A57 PolarHBondContact O-N 3.5Å; A57-R59 PolarHBondContact O-N 3.18Å; A57-L60 PolarHBondContact O-N 3.36Å; A57-K61 WeakPolarHBondContact O-CG 3.32Å; A57-K61 PolarHBondContact O-N 3.21Å |
| 58 | N | 80.7 | Confident | 73.6 | Confident | 101 Ų | 101 | 82.9 Ų | 82.9 | 54% | 0.54 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 177.3 | -72.4 | -16.5 | 0 | 0 | 0 | 112 | S54 Y55 T56 L60 K61 R62 | S54-N58 VanDerWaalsContact O-CB 3.23Å; S54-N58 WeakPolarHBondContact O-CB 3.35Å; S54-N58 PolarHBondContact O-N 2.73Å; S54-N58 PolarHBondContact O-ND2 3.22Å; Y55-N58 PolarHBondContact O-N 2.99Å; T56-N58 PolarHBondContact O-N 3.39Å; N58-L60 VanDerWaalsContact C-N 3.34Å; N58-K61 PolarHBondContact O-N 3.37Å; N58-R62 WeakPolarHBondContact O-CG 3.49Å; N58-R62 PolarHBondContact O-N 3.07Å |
| 59 | R | 79 | Confident | 74.8 | Confident | 38 Ų | 38 | 83.1 Ų | 83.1 | 14% | 0.143 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 177.3 | -163.4 | 158.6 | 165.5 | -168.8 | 2.5 | 110.6 | H25 E26 M30 Y55 T56 A57 R62 W63 | H25-R59 PolarHBondContact O-NH2 2.94Å; E26-R59 IonicContact OE2-CZ 3.24Å; E26-R59 IonicContact OE2-NH1 3.25Å; E26-R59 PolarHBondContact OE2-NH1 3.34Å; E26-R59 IonicContact OE2-NH2 2.78Å; E26-R59 PolarHBondContact OE2-NH2 3.17Å; M30-R59 HydrophobicContact CE-CG 4.17Å; M30-R59 HydrophobicContact SD-CB 3.69Å; M30-R59 WeakPolarHBondContact SD-CD 3.42Å; M30-R59 HydrophobicContact SD-CG 3.24Å; M30-R59 WeakPolarHBondContact SD-CG 3.27Å; M30-R59 PolarHBondContact SD-NE 2.99Å; Y55-R59 VanDerWaalsContact O-CB 3.28Å; Y55-R59 WeakPolarHBondContact O-CB 3.19Å; Y55-R59 PolarHBondContact O-N 3.37Å; Y55-R59 WeakPolarHBondContact OH-CD 3.39Å; Y55-R59 PolarHBondContact OH-NH1 3.45Å; T56-R59 PolarHBondContact O-N 2.92Å; A57-R59 PolarHBondContact O-N 3.18Å; R59-R62 WeakPolarHBondContact O-CB 3.23Å; R59-R62 PolarHBondContact O-N 3.24Å; R59-W63 PolarHBondContact O-N 3.13Å |
| 60 | L | 76.1 | Confident | 76 | Confident | 16 Ų | 16 | 82.1 Ų | 82.1 | 8% | 0.084 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 173.8 | -84 | 166.3 | 0 | 0 | 0 | 114 | F13 V17 F34 T56 A57 N58 R62 W63 D64 | F13-L60 HydrophobicContact CE1-CD1 4.37Å; F13-L60 HydrophobicContact CE1-CD2 3.36Å; F13-L60 HydrophobicContact CE1-CG 4.44Å; F13-L60 HydrophobicContact CZ-CD2 3.46Å; F13-L60 VanDerWaalsContact CZ-CD2 3.46Å; V17-L60 HydrophobicContact CG2-CD2 4.21Å; F34-L60 HydrophobicContact CD2-CD1 4.3Å; F34-L60 HydrophobicContact CE1-CD1 4.14Å; F34-L60 HydrophobicContact CE2-CD1 3.15Å; F34-L60 HydrophobicContact CE2-CG 4.45Å; F34-L60 HydrophobicContact CZ-CD1 3.03Å; T56-L60 HydrophobicContact CG2-CD1 4.24Å; T56-L60 WeakPolarHBondContact O-CB 3.48Å; T56-L60 PolarHBondContact O-N 3.39Å; A57-L60 PolarHBondContact O-N 3.36Å; N58-L60 VanDerWaalsContact C-N 3.34Å; L60-R62 VanDerWaalsContact C-N 3.26Å; L60-R62 PolarHBondContact O-N 2.78Å; L60-W63 PolarHBondContact O-N 3.21Å; L60-D64 WeakPolarHBondContact O-CB 3.11Å; L60-D64 PolarHBondContact O-N 3.38Å |
| 61 | K | 80 | Confident | 76.9 | Confident | 89 Ų | 89 | 80.3 Ų | 80.3 | 39% | 0.387 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -57.9 | -42.2 | 173.1 | -70.4 | -82 | -173.1 | 150.6 | 0 | 111.7 | M1 A57 N58 D64 T65 | M1-K61 HydrophobicContact CB-CD 4Å; M1-K61 HydrophobicContact CG-CD 3.95Å; M1-K61 PolarHBondContact O-NZ 2.97Å; M1-K61 HydrophobicContact SD-CD 4.27Å; A57-K61 WeakPolarHBondContact O-CG 3.32Å; A57-K61 PolarHBondContact O-N 3.21Å; N58-K61 PolarHBondContact O-N 3.37Å; K61-D64 PolarHBondContact O-N 3.14Å; K61-T65 PolarHBondContact O-N 2.99Å; K61-T65 PolarHBondContact O-OG1 2.88Å; K61-T65 VanDerWaalsContact O-OG1 3.08Å |
| 62 | R | 79.4 | Confident | 77.4 | Confident | 192 Ų | 192 | 83.4 Ų | 83.4 | 73% | 0.725 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63 | -45.7 | 176.1 | -73.3 | 178 | 70.3 | 166.9 | 3 | 110.9 | N58 R59 L60 D64 T65 T66 | N58-R62 WeakPolarHBondContact O-CG 3.49Å; N58-R62 PolarHBondContact O-N 3.07Å; R59-R62 WeakPolarHBondContact O-CB 3.23Å; R59-R62 PolarHBondContact O-N 3.24Å; L60-R62 VanDerWaalsContact C-N 3.26Å; L60-R62 PolarHBondContact O-N 2.78Å; R62-D64 PolarHBondContact O-N 3.25Å; R62-T65 PolarHBondContact O-N 3.42Å; R62-T66 VanDerWaalsContact O-CB 3.31Å; R62-T66 WeakPolarHBondContact O-CB 3.28Å; R62-T66 PolarHBondContact O-N 3.3Å; R62-T66 PolarHBondContact O-OG1 2.86Å |
| 63 | W | 80.7 | Confident | 77.7 | Confident | 71 Ų | 71 | 88.3 Ų | 88.3 | 27% | 0.269 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.6 | -41 | 176.5 | -72.6 | 112.4 | 0 | 0 | 0 | 112.6 | V24 R59 L60 T66 L67 | V24-W63 HydrophobicContact CB-CH2 4.2Å; V24-W63 HydrophobicContact CB-CZ2 3.98Å; V24-W63 HydrophobicContact CG1-CD2 4.32Å; V24-W63 HydrophobicContact CG1-CH2 4.27Å; V24-W63 HydrophobicContact CG1-CZ2 3.54Å; V24-W63 HydrophobicContact CG2-CD2 3.88Å; V24-W63 HydrophobicContact CG2-CE3 3.82Å; V24-W63 HydrophobicContact CG2-CH2 3.73Å; V24-W63 HydrophobicContact CG2-CZ2 3.8Å; V24-W63 HydrophobicContact CG2-CZ3 3.74Å; R59-W63 PolarHBondContact O-N 3.13Å; L60-W63 PolarHBondContact O-N 3.21Å; W63-T66 PolarHBondContact O-N 2.83Å; W63-L67 WeakPolarHBondContact O-CB 3.24Å; W63-L67 VanDerWaalsContact O-CG 3.22Å; W63-L67 WeakPolarHBondContact O-CG 3.44Å; W63-L67 PolarHBondContact O-N 3.31Å |
| 64 | D | 80.2 | Confident | 78 | Confident | 42 Ų | 42 | 91.3 Ų | 91.3 | 23% | 0.225 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -58 | -50.7 | 175 | -170.6 | 43 | 0 | 0 | 0 | 110.8 | M1 L60 K61 R62 T66 L67 L68 | M1-D64 HydrophobicContact CG-CB 4.37Å; M1-D64 WeakPolarHBondContact CG-OD2 3.24Å; M1-D64 HydrophobicContact SD-CB 4.07Å; L60-D64 WeakPolarHBondContact O-CB 3.11Å; L60-D64 PolarHBondContact O-N 3.38Å; K61-D64 PolarHBondContact O-N 3.14Å; R62-D64 PolarHBondContact O-N 3.25Å; D64-T66 PolarHBondContact O-N 3.49Å; D64-L67 PolarHBondContact O-N 3.49Å; D64-L68 WeakPolarHBondContact O-CB 3.25Å; D64-L68 VanDerWaalsContact O-CG 3.28Å; D64-L68 WeakPolarHBondContact O-CG 3.22Å; D64-L68 PolarHBondContact O-N 3.39Å |
| 65 | T | 80.7 | Confident | 78.1 | Confident | 95 Ų | 95 | 93.8 Ų | 93.8 | 58% | 0.583 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.2 | -41.6 | 175.5 | -55.5 | 0 | 0 | 0 | 0 | 112.4 | K61 R62 L68 S69 | K61-T65 PolarHBondContact O-N 2.99Å; K61-T65 PolarHBondContact O-OG1 2.88Å; K61-T65 VanDerWaalsContact O-OG1 3.08Å; R62-T65 PolarHBondContact O-N 3.42Å; T65-L68 PolarHBondContact O-N 2.99Å; T65-S69 PolarHBondContact O-N 2.64Å; T65-S69 VanDerWaalsContact O-N 3.16Å |
| 66 | T | 80.1 | Confident | 78 | Confident | 53 Ų | 53 | 95.8 Ų | 95.8 | 33% | 0.325 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63 | -47.6 | 177.8 | -69.3 | 0 | 0 | 0 | 0 | 110.6 | R62 W63 D64 L68 S69 Y70 | R62-T66 VanDerWaalsContact O-CB 3.31Å; R62-T66 WeakPolarHBondContact O-CB 3.28Å; R62-T66 PolarHBondContact O-N 3.3Å; R62-T66 PolarHBondContact O-OG1 2.86Å; W63-T66 PolarHBondContact O-N 2.83Å; D64-T66 PolarHBondContact O-N 3.49Å; T66-L68 PolarHBondContact O-N 3.44Å; T66-S69 PolarHBondContact O-N 3.26Å; T66-S69 VanDerWaalsContact O-N 3.13Å; T66-S69 PolarHBondContact O-OG 3.04Å; T66-Y70 HydrophobicContact CG2-CD2 4.3Å; T66-Y70 HydrophobicContact CG2-CE2 3.62Å; T66-Y70 WeakPolarHBondContact O-CD2 3.49Å |
| 67 | L | 78.2 | Confident | 77.8 | Confident | 26 Ų | 26 | 104.4 Ų | 104.4 | 14% | 0.136 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 177.2 | -70.4 | 171.4 | 0 | 0 | 0 | 111 | W63 D64 S69 Y70 F72 | W63-L67 WeakPolarHBondContact O-CB 3.24Å; W63-L67 VanDerWaalsContact O-CG 3.22Å; W63-L67 WeakPolarHBondContact O-CG 3.44Å; W63-L67 PolarHBondContact O-N 3.31Å; D64-L67 PolarHBondContact O-N 3.49Å; L67-S69 PolarHBondContact O-N 3.41Å; L67-S69 VanDerWaalsContact O-N 3.15Å; L67-Y70 PolarHBondContact O-N 3.49Å; L67-Y70 VanDerWaalsContact O-N 3.07Å; L67-F72 HydrophobicContact CB-CE2 4.49Å; L67-F72 HydrophobicContact CB-CZ 4.4Å; L67-F72 HydrophobicContact CD2-CZ 3.79Å; L67-F72 WeakPolarHBondContact O-CE2 3.37Å |
| 68 | L | 80 | Confident | 77.4 | Confident | 136 Ų | 136 | 108.6 Ų | 108.6 | 71% | 0.712 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.7 | -22.2 | 176.6 | -73.8 | 169.3 | 0 | 0 | 0 | 113.8 | D64 T65 T66 | D64-L68 WeakPolarHBondContact O-CB 3.25Å; D64-L68 VanDerWaalsContact O-CG 3.28Å; D64-L68 WeakPolarHBondContact O-CG 3.22Å; D64-L68 PolarHBondContact O-N 3.39Å; T65-L68 PolarHBondContact O-N 2.99Å; T66-L68 PolarHBondContact O-N 3.44Å |
| 69 | S | 83.2 | Confident | 76.7 | Confident | 92 Ų | 92 | 108 Ų | 108 | 64% | 0.643 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -81.5 | -16.5 | 176.9 | 72.8 | 0 | 0 | 0 | 0 | 114.2 | T65 T66 L67 | T65-S69 PolarHBondContact O-N 2.64Å; T65-S69 VanDerWaalsContact O-N 3.16Å; T66-S69 PolarHBondContact O-N 3.26Å; T66-S69 VanDerWaalsContact O-N 3.13Å; T66-S69 PolarHBondContact O-OG 3.04Å; L67-S69 PolarHBondContact O-N 3.41Å; L67-S69 VanDerWaalsContact O-N 3.15Å |
| 70 | Y | 77.3 | Confident | 75.9 | Confident | 142 Ų | 142 | 113.7 Ų | 113.7 | 56% | 0.557 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -85.6 | 136.8 | 177.1 | -74.2 | -76.8 | 0 | 0 | 0 | 110.9 | T66 L67 F72 | T66-Y70 HydrophobicContact CG2-CD2 4.3Å; T66-Y70 HydrophobicContact CG2-CE2 3.62Å; T66-Y70 WeakPolarHBondContact O-CD2 3.49Å; L67-Y70 PolarHBondContact O-N 3.49Å; L67-Y70 VanDerWaalsContact O-N 3.07Å; Y70-F72 HydrophobicContact CD2-CZ 4.44Å; Y70-F72 HydrophobicContact CG-CZ 4.33Å; Y70-F72 PolarHBondContact O-N 2.84Å |
| 71 | D | 80.3 | Confident | 75.1 | Confident | 159 Ų | 159 | 120.5 Ų | 120.5 | 85% | 0.85 | 58% | 0.582 | S | S | * | * | trans | -85.1 | 107.7 | 167.5 | -168.3 | 11 | 0 | 0 | 0 | 108.5 | ||||
| 72 | F | 74.2 | Confident | 74.1 | Confident | 101 Ų | 101 | 118.5 Ų | 118.5 | 44% | 0.443 | 58% | 0.579 | S | S | . | * | trans | -94.2 | 121.5 | -177.8 | -62.4 | -74.3 | 0 | 0 | 0 | 110.6 | L67 Y70 V74 | L67-F72 HydrophobicContact CB-CE2 4.49Å; L67-F72 HydrophobicContact CB-CZ 4.4Å; L67-F72 HydrophobicContact CD2-CZ 3.79Å; L67-F72 WeakPolarHBondContact O-CE2 3.37Å; Y70-F72 HydrophobicContact CD2-CZ 4.44Å; Y70-F72 HydrophobicContact CG-CZ 4.33Å; Y70-F72 PolarHBondContact O-N 2.84Å; F72-V74 HydrophobicContact CB-CG2 4.47Å; F72-V74 PolarHBondContact O-N 3.18Å | ||
| 73 | I | 74.1 | Confident | 73.3 | Confident | 145 Ų | 145 | 111.4 Ų | 111.4 | 74% | 0.744 | 57% | 0.566 | S | S | * | * | trans | -80.2 | 101.6 | 163.1 | -55.2 | 178 | 0 | 0 | 0 | 107.1 | E75 | I73-E75 HydrophobicContact CG2-CG 3.9Å; I73-E75 PolarHBondContact O-N 2.83Å | ||
| 74 | V | 75.7 | Confident | 72.5 | Confident | 136 Ų | 136 | 118.3 Ų | 118.3 | 82% | 0.824 | 59% | 0.592 | S | S | * | * | trans | -78.5 | 91.2 | 176.2 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | F72 | F72-V74 HydrophobicContact CB-CG2 4.47Å; F72-V74 PolarHBondContact O-N 3.18Å | ||
| 75 | E | 77.2 | Confident | 71.9 | Confident | 144 Ų | 144 | 119.3 Ų | 119.3 | 67% | 0.673 | 61% | 0.606 | S | S | * | * | trans | -79.5 | 125.2 | 174.6 | -65.4 | -176.4 | 172.9 | 0 | 0 | 110.6 | I73 R77 | I73-E75 HydrophobicContact CG2-CG 3.9Å; I73-E75 PolarHBondContact O-N 2.83Å; E75-R77 PolarHBondContact O-N 3.19Å; E75-R77 VanDerWaalsContact O-N 3.12Å | ||
| 76 | Y | 75.2 | Confident | 71.3 | Confident | 187 Ų | 187 | 116.5 Ų | 116.5 | 73% | 0.733 | 59% | 0.592 | S | S | * | * | trans | -69.4 | 108.4 | 169.4 | 177.8 | -100.8 | 0 | 0 | 0 | 109.3 | F78 | Y76-F78 HydrophobicContact CE1-CB 4.2Å; Y76-F78 HydrophobicContact CE1-CD2 4.05Å | ||
| 77 | R | 67.9 | Low | 70.9 | Confident | 192 Ų | 192 | 116.8 Ų | 116.8 | 73% | 0.725 | 60% | 0.6 | S | S | * | * | trans | -86.1 | 112.1 | 169.2 | -70.6 | -160.8 | -177.5 | -175.7 | 3.7 | 109.9 | E75 T79 | E75-R77 PolarHBondContact O-N 3.19Å; E75-R77 VanDerWaalsContact O-N 3.12Å; R77-T79 PolarHBondContact O-N 3.23Å | ||
| 78 | F | 66.1 | Low | 70.4 | Confident | 123 Ų | 123 | 120.9 Ų | 120.9 | 54% | 0.539 | 62% | 0.622 | S | S | . | * | trans | -58.7 | 134.7 | 171.6 | -170.4 | -108.8 | 0 | 0 | 0 | 110.1 | Y76 E80 N81 | Y76-F78 HydrophobicContact CE1-CB 4.2Å; Y76-F78 HydrophobicContact CE1-CD2 4.05Å; F78-E80 HydrophobicContact CD1-CB 3.65Å; F78-E80 HydrophobicContact CE1-CB 3.76Å; F78-E80 PolarHBondContact O-N 3.31Å; F78-N81 PolarHBondContact O-N 3.29Å | ||
| 79 | T | 65 | Low | 70 | Confident | 89 Ų | 89 | 118.3 Ų | 118.3 | 55% | 0.546 | 62% | 0.615 | S | S | . | * | G | 310 helix | trans | -60.8 | -17.6 | -165.7 | 49.3 | 0 | 0 | 0 | 0 | 114.6 | R77 N81 S82 | R77-T79 PolarHBondContact O-N 3.23Å; T79-N81 VanDerWaalsContact C-N 3.33Å; T79-N81 PolarHBondContact O-N 2.8Å; T79-S82 PolarHBondContact O-N 3.18Å |
| 80 | E | 61.4 | Low | 69.5 | Low | 158 Ų | 158 | 122.9 Ų | 122.9 | 74% | 0.738 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -66.5 | -32 | -178.1 | -153.2 | 163.6 | -149.1 | 0 | 0 | 112.8 | F78 | F78-E80 HydrophobicContact CD1-CB 3.65Å; F78-E80 HydrophobicContact CE1-CB 3.76Å; F78-E80 PolarHBondContact O-N 3.31Å |
| 81 | N | 59.4 | Low | 69.1 | Low | 159 Ų | 159 | 121.7 Ų | 121.7 | 85% | 0.85 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -87.3 | -9.5 | 175.9 | -98 | 11.6 | 0 | 0 | 0 | 114.3 | F78 T79 G83 | F78-N81 PolarHBondContact O-N 3.29Å; T79-N81 VanDerWaalsContact C-N 3.33Å; T79-N81 PolarHBondContact O-N 2.8Å; N81-G83 VanDerWaalsContact C-N 3.27Å; N81-G83 PolarHBondContact O-N 3.36Å |
| 82 | S | 59 | Low | 68.5 | Low | 46 Ų | 46 | 119.2 Ų | 119.2 | 32% | 0.322 | 61% | 0.611 | S | S | . | * | trans | -96.3 | 49.1 | 176.5 | -66.4 | 0 | 0 | 0 | 0 | 110.5 | T79 R84 A85 A86 | T79-S82 PolarHBondContact O-N 3.18Å; S82-R84 PolarHBondContact O-N 3.04Å; S82-A85 PolarHBondContact O-N 2.67Å; S82-A86 PolarHBondContact O-N 3.41Å | ||
| 83 | G | 63.5 | Low | 68 | Low | 43 Ų | 43 | 121 Ų | 121 | 44% | 0.443 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -51.7 | -28.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | N81 A87 | N81-G83 VanDerWaalsContact C-N 3.27Å; N81-G83 PolarHBondContact O-N 3.36Å; G83-A87 WeakPolarHBondContact O-CB 3.36Å; G83-A87 PolarHBondContact O-N 2.86Å |
| 84 | R | 64.5 | Low | 67.4 | Low | 216 Ų | 216 | 122.5 Ų | 122.5 | 82% | 0.815 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.3 | -44.8 | 174.6 | -66.1 | -178.6 | 66.7 | -174.9 | 0.1 | 113 | S82 L88 | S82-R84 PolarHBondContact O-N 3.04Å; R84-L88 VanDerWaalsContact O-CG 3.3Å; R84-L88 WeakPolarHBondContact O-CG 3.32Å; R84-L88 PolarHBondContact O-N 3.31Å |
| 85 | A | 67 | Low | 66.6 | Low | 63 Ų | 63 | 121.8 Ų | 121.8 | 52% | 0.521 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -71.1 | -43 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111 | S82 A87 L88 S89 | S82-A85 PolarHBondContact O-N 2.67Å; A85-A87 PolarHBondContact O-N 2.92Å; A85-L88 PolarHBondContact O-N 3.47Å; A85-S89 WeakPolarHBondContact O-CB 3.45Å; A85-S89 PolarHBondContact O-N 3.29Å |
| 86 | A | 67.2 | Low | 65.5 | Low | 36 Ų | 36 | 120.3 Ų | 120.3 | 30% | 0.298 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61.6 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S82 S89 R90 | S82-A86 PolarHBondContact O-N 3.41Å; A86-S89 PolarHBondContact O-N 3.32Å; A86-R90 WeakPolarHBondContact O-CB 3.35Å; A86-R90 VanDerWaalsContact O-CG 3.27Å; A86-R90 WeakPolarHBondContact O-CG 3.44Å; A86-R90 PolarHBondContact O-N 3.35Å; A86-R90 VanDerWaalsContact O-N 3.08Å |
| 87 | A | 71.8 | Confident | 64.4 | Low | 59 Ų | 59 | 117.1 Ų | 117.1 | 49% | 0.488 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.7 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G83 A85 R90 L91 | G83-A87 WeakPolarHBondContact O-CB 3.36Å; G83-A87 PolarHBondContact O-N 2.86Å; A85-A87 PolarHBondContact O-N 2.92Å; A87-R90 PolarHBondContact O-N 3.44Å; A87-L91 PolarHBondContact O-N 3.39Å |
| 88 | L | 68.9 | Low | 63.5 | Low | 113 Ų | 113 | 111.8 Ų | 111.8 | 59% | 0.592 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.4 | -40.4 | 177.8 | -70.1 | 174.8 | 0 | 0 | 0 | 112.4 | R84 A85 R90 L91 V92 | R84-L88 VanDerWaalsContact O-CG 3.3Å; R84-L88 WeakPolarHBondContact O-CG 3.32Å; R84-L88 PolarHBondContact O-N 3.31Å; A85-L88 PolarHBondContact O-N 3.47Å; L88-R90 VanDerWaalsContact C-N 3.28Å; L88-R90 PolarHBondContact O-N 2.87Å; L88-L91 WeakPolarHBondContact O-CB 3.41Å; L88-L91 PolarHBondContact O-N 2.78Å; L88-L91 VanDerWaalsContact O-N 3.12Å; L88-V92 PolarHBondContact O-N 3.11Å |
| 89 | S | 72 | Confident | 62.6 | Low | 82 Ų | 82 | 114.3 Ų | 114.3 | 57% | 0.573 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -61.8 | -38.8 | 175.7 | -168.6 | 0 | 0 | 0 | 0 | 111.6 | A85 A86 L91 | A85-S89 WeakPolarHBondContact O-CB 3.45Å; A85-S89 PolarHBondContact O-N 3.29Å; A86-S89 PolarHBondContact O-N 3.32Å; S89-L91 VanDerWaalsContact C-N 3.33Å |
| 90 | R | 71.3 | Confident | 61.7 | Low | 187 Ų | 187 | 118.6 Ų | 118.6 | 71% | 0.706 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.1 | -25.7 | 175.3 | -70 | 173.1 | -175.9 | -104.8 | 4.6 | 113.2 | A86 A87 L88 | A86-R90 WeakPolarHBondContact O-CB 3.35Å; A86-R90 VanDerWaalsContact O-CG 3.27Å; A86-R90 WeakPolarHBondContact O-CG 3.44Å; A86-R90 PolarHBondContact O-N 3.35Å; A86-R90 VanDerWaalsContact O-N 3.08Å; A87-R90 PolarHBondContact O-N 3.44Å; L88-R90 VanDerWaalsContact C-N 3.28Å; L88-R90 PolarHBondContact O-N 2.87Å |
| 91 | L | 69.3 | Low | 60.8 | Low | 117 Ų | 117 | 118.5 Ų | 118.5 | 61% | 0.613 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.6 | -36.1 | 177.5 | -172.8 | 63.9 | 0 | 0 | 0 | 111.3 | A87 L88 S89 D93 K94 | A87-L91 PolarHBondContact O-N 3.39Å; L88-L91 WeakPolarHBondContact O-CB 3.41Å; L88-L91 PolarHBondContact O-N 2.78Å; L88-L91 VanDerWaalsContact O-N 3.12Å; S89-L91 VanDerWaalsContact C-N 3.33Å; L91-D93 VanDerWaalsContact C-N 3.33Å; L91-D93 PolarHBondContact O-N 3.43Å; L91-K94 PolarHBondContact O-N 3.22Å |
| 92 | V | 67.1 | Low | 60.3 | Low | 107 Ų | 107 | 117.6 Ų | 117.6 | 65% | 0.648 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.1 | -39.3 | 178.1 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | L88 K94 H95 | L88-V92 PolarHBondContact O-N 3.11Å; V92-K94 PolarHBondContact O-N 3.4Å; V92-K94 VanDerWaalsContact O-N 3.08Å; V92-H95 PolarHBondContact O-N 3.04Å |
| 93 | D | 65.3 | Low | 59.8 | Low | 139 Ų | 139 | 121 Ų | 121 | 74% | 0.743 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -22.5 | 177.2 | -86.8 | -3.1 | 0 | 0 | 0 | 113.8 | L91 | L91-D93 VanDerWaalsContact C-N 3.33Å; L91-D93 PolarHBondContact O-N 3.43Å |
| 94 | K | 61.2 | Low | 59 | Low | 176 Ų | 176 | 126.4 Ų | 126.4 | 77% | 0.765 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -11.1 | 178.1 | -68.6 | -169.6 | 178 | -174.6 | 0 | 113.9 | L91 V92 T96 | L91-K94 PolarHBondContact O-N 3.22Å; V92-K94 PolarHBondContact O-N 3.4Å; V92-K94 VanDerWaalsContact O-N 3.08Å; K94-T96 VanDerWaalsContact C-N 3.29Å; K94-T96 PolarHBondContact O-N 3.41Å; K94-T96 VanDerWaalsContact O-N 3.13Å |
| 95 | H | 58.9 | Low | 58.1 | Low | 122 Ų | 122 | 121.4 Ų | 121.4 | 57% | 0.565 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -84.6 | 84.6 | 166.7 | -176.7 | 48.1 | 0 | 0 | 0 | 107.7 | V92 V97 | V92-H95 PolarHBondContact O-N 3.04Å; H95-V97 PolarHBondContact O-N 3.42Å |
| 96 | T | 52.9 | Low | 57.3 | Low | 113 Ų | 113 | 122.6 Ų | 122.6 | 69% | 0.693 | 68% | 0.677 | S | S | * | * | trans | -53 | 110.9 | 160.4 | 50.3 | 0 | 0 | 0 | 0 | 106.5 | K94 A98 | K94-T96 VanDerWaalsContact C-N 3.29Å; K94-T96 PolarHBondContact O-N 3.41Å; K94-T96 VanDerWaalsContact O-N 3.13Å; T96-A98 PolarHBondContact O-N 3.43Å | ||
| 97 | V | 52.4 | Low | 56.6 | Low | 120 Ų | 120 | 126 Ų | 126 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | trans | -64.5 | 81.1 | 165.5 | -179.1 | 0 | 0 | 0 | 0 | 105 | H95 E99 | H95-V97 PolarHBondContact O-N 3.42Å; V97-E99 PolarHBondContact O-N 2.84Å; V97-E99 VanDerWaalsContact O-N 3.14Å | ||
| 98 | A | 49.8 | Very low | 55.6 | Low | 80 Ų | 80 | 130.2 Ų | 130.2 | 66% | 0.661 | 71% | 0.708 | S | S | * | * | trans | -61.9 | 114.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 104.3 | T96 E100 | T96-A98 PolarHBondContact O-N 3.43Å; A98-E100 PolarHBondContact O-N 3.45Å | ||
| 99 | E | 46.7 | Very low | 54.9 | Low | 176 Ų | 176 | 126.3 Ų | 126.3 | 82% | 0.822 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -46.6 | 139.9 | 174.7 | -67.1 | -173.9 | 131.8 | 0 | 0 | 109.1 | V97 | V97-E99 PolarHBondContact O-N 2.84Å; V97-E99 VanDerWaalsContact O-N 3.14Å |
| 100 | E | 46.9 | Very low | 54.2 | Low | 178 Ų | 178 | 129.5 Ų | 129.5 | 83% | 0.832 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 88.6 | 100.4 | 170.5 | -46.8 | -175.5 | -179.6 | 0 | 0 | 116.2 | A98 L102 | A98-E100 PolarHBondContact O-N 3.45Å; E100-L102 PolarHBondContact O-N 2.81Å |
| 101 | D | 41.4 | Very low | 53.5 | Low | 156 Ų | 156 | 127.7 Ų | 127.7 | 83% | 0.834 | 70% | 0.697 | S | S | * | * | trans | 49 | 66 | 147.9 | -65.6 | -21.7 | 0 | 0 | 0 | 118.4 | V103 | D101-V103 VanDerWaalsContact C-N 3.27Å; D101-V103 PolarHBondContact O-N 2.97Å | ||
| 102 | L | 49.2 | Very low | 52.9 | Low | 141 Ų | 141 | 125.8 Ų | 125.8 | 74% | 0.738 | 69% | 0.688 | S | S | * | * | trans | -69.5 | 89.2 | 158.3 | -175.2 | 68 | 0 | 0 | 0 | 109.4 | E100 I104 | E100-L102 PolarHBondContact O-N 2.81Å; L102-I104 PolarHBondContact O-N 2.83Å | ||
| 103 | V | 47.8 | Very low | 52.6 | Low | 117 Ų | 117 | 125.3 Ų | 125.3 | 71% | 0.709 | 68% | 0.684 | S | S | * | * | trans | -51.9 | 109 | 162.6 | 175 | 0 | 0 | 0 | 0 | 106.9 | D101 V105 | D101-V103 VanDerWaalsContact C-N 3.27Å; D101-V103 PolarHBondContact O-N 2.97Å; V103-V105 PolarHBondContact O-N 3.07Å | ||
| 104 | I | 48.3 | Very low | 52.5 | Low | 157 Ų | 157 | 127.5 Ų | 127.5 | 81% | 0.805 | 68% | 0.682 | S | S | * | * | trans | -54.1 | 106.5 | 172.7 | -62.5 | 171.4 | 0 | 0 | 0 | 105.4 | L102 A106 | L102-I104 PolarHBondContact O-N 2.83Å; I104-A106 PolarHBondContact O-N 2.75Å | ||
| 105 | V | 44.3 | Very low | 52.7 | Low | 110 Ų | 110 | 126 Ų | 126 | 67% | 0.667 | 67% | 0.672 | S | S | * | * | trans | -50.4 | 107.1 | 179.1 | 174.6 | 0 | 0 | 0 | 0 | 106.3 | V103 V107 | V103-V105 PolarHBondContact O-N 3.07Å; V105-V107 PolarHBondContact O-N 3.35Å | ||
| 106 | A | 51 | Low | 52.8 | Low | 88 Ų | 88 | 123.6 Ų | 123.6 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | trans | -58.2 | 97.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 104.2 | I104 N108 | I104-A106 PolarHBondContact O-N 2.75Å; A106-N108 PolarHBondContact O-N 2.79Å | ||
| 107 | V | 53.1 | Low | 53.4 | Low | 108 Ų | 108 | 123.3 Ų | 123.3 | 66% | 0.655 | 66% | 0.662 | S | S | * | * | trans | -58.9 | 112.4 | 175.8 | 178.5 | 0 | 0 | 0 | 0 | 104.5 | V105 A109 | V105-V107 PolarHBondContact O-N 3.35Å; V107-A109 HydrophobicContact CG1-CB 4.11Å; V107-A109 PolarHBondContact O-N 2.93Å | ||
| 108 | N | 50 | Low | 54.2 | Low | 147 Ų | 147 | 120.5 Ų | 120.5 | 79% | 0.786 | 65% | 0.647 | S | S | * | * | trans | -64.5 | 71.3 | 170.6 | -106.7 | -14.1 | 0 | 0 | 0 | 107.7 | A106 E110 | A106-N108 PolarHBondContact O-N 2.79Å; N108-E110 PolarHBondContact O-N 2.69Å | ||
| 109 | A | 54.4 | Low | 55.2 | Low | 31 Ų | 31 | 121.1 Ų | 121.1 | 26% | 0.256 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85 | 16.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V107 H111 D112 V113 | V107-A109 HydrophobicContact CG1-CB 4.11Å; V107-A109 PolarHBondContact O-N 2.93Å; A109-H111 PolarHBondContact O-N 3.3Å; A109-H111 VanDerWaalsContact O-N 3.15Å; A109-D112 PolarHBondContact O-N 2.73Å; A109-V113 HydrophobicContact CB-CG2 4.16Å; A109-V113 WeakPolarHBondContact O-CB 3.42Å; A109-V113 VanDerWaalsContact O-CG2 3.24Å; A109-V113 WeakPolarHBondContact O-CG2 3.46Å; A109-V113 PolarHBondContact O-N 3.36Å |
| 110 | E | 57 | Low | 56.3 | Low | 150 Ų | 150 | 116 Ų | 116 | 70% | 0.701 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -57.2 | -29.6 | 175.8 | -94.5 | -166.6 | 149.5 | 0 | 0 | 112.1 | N108 R114 | N108-E110 PolarHBondContact O-N 2.69Å; E110-R114 WeakPolarHBondContact O-CG 3.24Å |
| 111 | H | 57.3 | Low | 57.1 | Low | 149 Ų | 149 | 112.3 Ų | 112.3 | 69% | 0.69 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -85.3 | -34.5 | 176.3 | -64.9 | -62.1 | 0 | 0 | 0 | 113.6 | A109 R115 | A109-H111 PolarHBondContact O-N 3.3Å; A109-H111 VanDerWaalsContact O-N 3.15Å; H111-R115 PolarHBondContact O-N 3.42Å |
| 112 | D | 55.6 | Low | 58.3 | Low | 77 Ų | 77 | 112.2 Ų | 112.2 | 41% | 0.412 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -76.2 | -35.6 | 179.3 | -77.6 | -38.6 | 0 | 0 | 0 | 112.6 | A109 R114 R115 C116 | A109-D112 PolarHBondContact O-N 2.73Å; D112-R114 VanDerWaalsContact C-N 3.31Å; D112-R114 PolarHBondContact O-N 3.08Å; D112-R115 PolarHBondContact O-N 3.48Å; D112-R115 IonicContact OD1-CZ 3.39Å; D112-R115 IonicContact OD1-NH1 2.75Å; D112-R115 PolarHBondContact OD1-NH1 2.9Å; D112-R115 IonicContact OD1-NH2 2.83Å; D112-C116 PolarHBondContact O-N 3.07Å |
| 113 | V | 61.3 | Low | 59 | Low | 96 Ų | 96 | 111.4 Ų | 111.4 | 58% | 0.582 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.9 | -38.6 | 176.8 | 175 | 0 | 0 | 0 | 0 | 110.9 | A109 C116 L117 | A109-V113 HydrophobicContact CB-CG2 4.16Å; A109-V113 WeakPolarHBondContact O-CB 3.42Å; A109-V113 VanDerWaalsContact O-CG2 3.24Å; A109-V113 WeakPolarHBondContact O-CG2 3.46Å; A109-V113 PolarHBondContact O-N 3.36Å; V113-C116 PolarHBondContact O-N 2.98Å; V113-L117 WeakPolarHBondContact O-CB 3.39Å; V113-L117 PolarHBondContact O-N 3.39Å |
| 114 | R | 63.4 | Low | 59.2 | Low | 185 Ų | 185 | 111.7 Ų | 111.7 | 70% | 0.698 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.2 | -39.3 | 176.7 | -77.7 | -179.5 | 133.6 | 155.9 | -2 | 112.6 | E110 D112 S118 | E110-R114 WeakPolarHBondContact O-CG 3.24Å; D112-R114 VanDerWaalsContact C-N 3.31Å; D112-R114 PolarHBondContact O-N 3.08Å; R114-S118 WeakPolarHBondContact O-CB 3.41Å; R114-S118 PolarHBondContact O-N 3.15Å |
| 115 | R | 64.2 | Low | 59.1 | Low | 144 Ų | 144 | 111.5 Ų | 111.5 | 54% | 0.543 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.4 | -49.2 | 176.6 | -167 | 175.8 | 77.3 | -117.3 | -0.9 | 110.8 | H111 D112 L117 S118 D119 | H111-R115 PolarHBondContact O-N 3.42Å; D112-R115 PolarHBondContact O-N 3.48Å; D112-R115 IonicContact OD1-CZ 3.39Å; D112-R115 IonicContact OD1-NH1 2.75Å; D112-R115 PolarHBondContact OD1-NH1 2.9Å; D112-R115 IonicContact OD1-NH2 2.83Å; R115-L117 VanDerWaalsContact C-N 3.33Å; R115-L117 PolarHBondContact O-N 3.18Å; R115-S118 PolarHBondContact O-N 2.96Å; R115-D119 VanDerWaalsContact O-CG 3.3Å; R115-D119 PolarHBondContact O-N 3.4Å |
| 116 | C | 61 | Low | 59.8 | Low | 72 Ų | 72 | 112.1 Ų | 112.1 | 49% | 0.486 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.2 | -37.5 | 178.6 | -70.6 | 0 | 0 | 0 | 0 | 113.2 | D112 V113 S120 | D112-C116 PolarHBondContact O-N 3.07Å; V113-C116 PolarHBondContact O-N 2.98Å; C116-S120 WeakPolarHBondContact O-CB 3.37Å; C116-S120 PolarHBondContact O-N 3.27Å; C116-S120 VanDerWaalsContact O-N 3.08Å; C116-S120 PolarHBondContact O-OG 3.07Å |
| 117 | L | 65.4 | Low | 59.9 | Low | 108 Ų | 108 | 112.8 Ų | 112.8 | 57% | 0.565 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.4 | -42.8 | 176.3 | -175.3 | 67.2 | 0 | 0 | 0 | 111.6 | V113 R115 S120 I121 | V113-L117 WeakPolarHBondContact O-CB 3.39Å; V113-L117 PolarHBondContact O-N 3.39Å; R115-L117 VanDerWaalsContact C-N 3.33Å; R115-L117 PolarHBondContact O-N 3.18Å; L117-S120 PolarHBondContact O-N 3.3Å; L117-I121 HydrophobicContact CG-CD1 4.33Å; L117-I121 WeakPolarHBondContact O-CG1 3.38Å; L117-I121 PolarHBondContact O-N 3.27Å; L117-I121 VanDerWaalsContact O-N 3.07Å |
| 118 | S | 69.9 | Low | 60.3 | Low | 60 Ų | 60 | 112.4 Ų | 112.4 | 42% | 0.42 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.2 | -45.7 | 176.8 | -169.1 | 0 | 0 | 0 | 0 | 111.4 | R114 R115 S120 I121 H122 | R114-S118 WeakPolarHBondContact O-CB 3.41Å; R114-S118 PolarHBondContact O-N 3.15Å; R115-S118 PolarHBondContact O-N 2.96Å; S118-S120 VanDerWaalsContact C-N 3.26Å; S118-S120 PolarHBondContact O-N 3.46Å; S118-I121 PolarHBondContact O-N 3.24Å; S118-H122 PolarHBondContact O-CD2 2.98Å; S118-H122 VanDerWaalsContact O-CD2 3.27Å |
| 119 | D | 71.1 | Confident | 60.9 | Low | 94 Ų | 94 | 113.2 Ų | 113.2 | 50% | 0.503 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.3 | -36.7 | 177.7 | -67.7 | -16.6 | 0 | 0 | 0 | 111.2 | R115 H122 | R115-D119 VanDerWaalsContact O-CG 3.3Å; R115-D119 PolarHBondContact O-N 3.4Å; D119-H122 PolarHBondContact O-N 3.36Å |
| 120 | S | 68.7 | Low | 61.1 | Low | 67 Ų | 67 | 117.7 Ų | 117.7 | 47% | 0.469 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -69.7 | -33.3 | 179 | -58.9 | 0 | 0 | 0 | 0 | 113.2 | C116 L117 S118 H122 V123 L124 | C116-S120 WeakPolarHBondContact O-CB 3.37Å; C116-S120 PolarHBondContact O-N 3.27Å; C116-S120 VanDerWaalsContact O-N 3.08Å; C116-S120 PolarHBondContact O-OG 3.07Å; L117-S120 PolarHBondContact O-N 3.3Å; S118-S120 VanDerWaalsContact C-N 3.26Å; S118-S120 PolarHBondContact O-N 3.46Å; S120-H122 VanDerWaalsContact C-N 3.32Å; S120-H122 PolarHBondContact O-N 3.26Å; S120-V123 PolarHBondContact O-N 3.4Å; S120-L124 PolarHBondContact O-N 3.49Å |
| 121 | I | 65.5 | Low | 61.3 | Low | 102 Ų | 102 | 118.6 Ų | 118.6 | 52% | 0.523 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -66.6 | -34.7 | 179 | -70.9 | 167.5 | 0 | 0 | 0 | 111.2 | L117 S118 V123 L124 | L117-I121 HydrophobicContact CG-CD1 4.33Å; L117-I121 WeakPolarHBondContact O-CG1 3.38Å; L117-I121 PolarHBondContact O-N 3.27Å; L117-I121 VanDerWaalsContact O-N 3.07Å; S118-I121 PolarHBondContact O-N 3.24Å; I121-V123 VanDerWaalsContact C-N 3.28Å; I121-V123 PolarHBondContact O-N 3.23Å; I121-L124 PolarHBondContact O-N 2.94Å |
| 122 | H | 64.8 | Low | 61.4 | Low | 154 Ų | 154 | 120 Ų | 120 | 71% | 0.713 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -72 | -20.8 | 178.3 | -72.5 | -65.9 | 0 | 0 | 0 | 114 | S118 D119 S120 | S118-H122 PolarHBondContact O-CD2 2.98Å; S118-H122 VanDerWaalsContact O-CD2 3.27Å; D119-H122 PolarHBondContact O-N 3.36Å; S120-H122 VanDerWaalsContact C-N 3.32Å; S120-H122 PolarHBondContact O-N 3.26Å |
| 123 | V | 64.6 | Low | 61.7 | Low | 123 Ų | 123 | 122.1 Ų | 122.1 | 75% | 0.745 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -84.2 | -19 | 175.3 | -177.6 | 0 | 0 | 0 | 0 | 111.5 | S120 I121 L125 | S120-V123 PolarHBondContact O-N 3.4Å; I121-V123 VanDerWaalsContact C-N 3.28Å; I121-V123 PolarHBondContact O-N 3.23Å; V123-L125 PolarHBondContact O-N 3.27Å |
| 124 | L | 53.3 | Low | 61.7 | Low | 124 Ų | 124 | 123.5 Ų | 123.5 | 65% | 0.649 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -75.8 | 94.6 | 173.1 | -70.8 | 171.5 | 0 | 0 | 0 | 109.3 | S120 I121 V126 | S120-L124 PolarHBondContact O-N 3.49Å; I121-L124 PolarHBondContact O-N 2.94Å; L124-V126 VanDerWaalsContact C-N 3.28Å; L124-V126 PolarHBondContact O-N 2.93Å |
| 125 | L | 46.1 | Very low | 61.6 | Low | 153 Ų | 153 | 120.1 Ų | 120.1 | 80% | 0.801 | 68% | 0.676 | S | S | * | * | trans | -58.2 | 87.5 | 168.7 | -155.5 | 92.8 | 0 | 0 | 0 | 108.9 | V123 T127 | V123-L125 PolarHBondContact O-N 3.27Å; L125-T127 VanDerWaalsContact C-N 3.3Å; L125-T127 HydrophobicContact CD2-CG2 3.81Å; L125-T127 HydrophobicContact CG-CG2 4.31Å; L125-T127 PolarHBondContact O-N 2.84Å | ||
| 126 | V | 58.8 | Low | 61.4 | Low | 123 Ų | 123 | 118.6 Ų | 118.6 | 75% | 0.745 | 68% | 0.684 | S | S | * | * | trans | -72.6 | 91 | 172.5 | 173.6 | 0 | 0 | 0 | 0 | 107.6 | L124 S128 | L124-V126 VanDerWaalsContact C-N 3.28Å; L124-V126 PolarHBondContact O-N 2.93Å; V126-S128 VanDerWaalsContact C-N 3.28Å; V126-S128 PolarHBondContact O-N 3.17Å; V126-S128 VanDerWaalsContact O-N 3.17Å | ||
| 127 | T | 53.3 | Low | 61.5 | Low | 102 Ų | 102 | 121.6 Ų | 121.6 | 63% | 0.626 | 70% | 0.696 | S | S | * | * | trans | -79.9 | 83.9 | 162.7 | 55.7 | 0 | 0 | 0 | 0 | 107.1 | L125 E129 | L125-T127 VanDerWaalsContact C-N 3.3Å; L125-T127 HydrophobicContact CD2-CG2 3.81Å; L125-T127 HydrophobicContact CG-CG2 4.31Å; L125-T127 PolarHBondContact O-N 2.84Å; T127-E129 PolarHBondContact O-N 3.16Å; T127-E129 VanDerWaalsContact O-N 3.16Å | ||
| 128 | S | 61 | Low | 61.2 | Low | 99 Ų | 99 | 122.5 Ų | 122.5 | 69% | 0.692 | 71% | 0.705 | S | S | * | * | trans | -73.7 | 100.8 | 166.4 | 60.3 | 0 | 0 | 0 | 0 | 107.7 | V126 | V126-S128 VanDerWaalsContact C-N 3.28Å; V126-S128 PolarHBondContact O-N 3.17Å; V126-S128 VanDerWaalsContact O-N 3.17Å | ||
| 129 | E | 61.9 | Low | 60.6 | Low | 164 Ų | 164 | 126.9 Ų | 126.9 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | trans | -68.6 | 126.5 | 166.1 | -61.6 | -168.5 | 171.7 | 0 | 0 | 108.3 | T127 I131 | T127-E129 PolarHBondContact O-N 3.16Å; T127-E129 VanDerWaalsContact O-N 3.16Å; E129-I131 PolarHBondContact O-N 3.24Å | ||
| 130 | P | 58.4 | Low | 59.8 | Low | 125 Ų | 125 | 129.5 Ų | 129.5 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | trans | -67.7 | 120.8 | -179.3 | 26.5 | -32.1 | 0 | 0 | 0 | 109.4 | S132 | P130-S132 PolarHBondContact O-N 3.11Å; P130-S132 VanDerWaalsContact O-N 3.11Å | ||
| 131 | I | 61.5 | Low | 59 | Low | 170 Ų | 170 | 134.7 Ų | 134.7 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | trans | -65.1 | 108.9 | 173.7 | -53.3 | 166.2 | 0 | 0 | 0 | 106.9 | E129 | E129-I131 PolarHBondContact O-N 3.24Š| ||
| 132 | S | 59.1 | Low | 58.4 | Low | 177 Ų | 177 | 137.6 Ų | 137.6 | 100% | 1.238 | 79% | 0.787 | S | S | * | * | trans | -69.2 | 0 | 166.2 | -179 | 0 | 0 | 0 | 0 | 111.2 | P130 | P130-S132 PolarHBondContact O-N 3.11Å; P130-S132 VanDerWaalsContact O-N 3.11Å |
Retrieved 132 of 132 residues in 643.2 ms
(Link to these results)