| 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 | 71.5 | Confident | 88.2 | Confident | 181 Ų | 181 | 115.9 Ų | 115.9 | 89% | 0.892 | 58% | 0.581 | S | S | * | * | 0 | -77.5 | 0 | -68.6 | -173.6 | 72.2 | 0 | 0 | 113.5 | L3 E4 T5 | M1-L3 PolarHBondContact O-N 3.4Å; M1-E4 VanDerWaalsContact CA-OE2 3.29Å; M1-E4 WeakPolarHBondContact CA-OE2 3.38Å; M1-E4 PolarHBondContact N-OE2 3.48Å; M1-E4 PolarHBondContact O-N 3.29Å; M1-T5 PolarHBondContact O-N 3.23Å; M1-T5 VanDerWaalsContact O-N 3.08Å; M1-T5 PolarHBondContact O-OG1 3.26Å | |||
| 2 | V | 83.6 | Confident | 88.4 | Confident | 114 Ų | 114 | 114.6 Ų | 114.6 | 69% | 0.691 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62 | -44.9 | -172.9 | 179.4 | 0 | 0 | 0 | 0 | 113.4 | E4 T5 I6 | V2-E4 VanDerWaalsContact C-N 3.33Å; V2-E4 PolarHBondContact O-N 3.33Å; V2-T5 PolarHBondContact O-N 3.28Å; V2-I6 HydrophobicContact CG1-CD1 3.9Å; V2-I6 WeakPolarHBondContact O-CG1 3.15Å; V2-I6 PolarHBondContact O-N 3.16Å |
| 3 | L | 88.4 | Confident | 88.4 | Confident | 139 Ų | 139 | 114.2 Ų | 114.2 | 73% | 0.728 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.5 | -33.5 | -179 | -166.7 | 66.5 | 0 | 0 | 0 | 112.8 | M1 I6 S7 | M1-L3 PolarHBondContact O-N 3.4Å; L3-I6 PolarHBondContact O-N 2.98Å; L3-S7 VanDerWaalsContact O-CB 3.3Å; L3-S7 WeakPolarHBondContact O-CB 3.38Å; L3-S7 PolarHBondContact O-N 3.19Å |
| 4 | E | 89.5 | Confident | 88.3 | Confident | 135 Ų | 135 | 112.2 Ų | 112.2 | 63% | 0.631 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.3 | -40.4 | 175.9 | -67.4 | 159.7 | 152.2 | 0 | 0 | 111.1 | M1 V2 S7 R8 | M1-E4 VanDerWaalsContact CA-OE2 3.29Å; M1-E4 WeakPolarHBondContact CA-OE2 3.38Å; M1-E4 PolarHBondContact N-OE2 3.48Å; M1-E4 PolarHBondContact O-N 3.29Å; V2-E4 VanDerWaalsContact C-N 3.33Å; V2-E4 PolarHBondContact O-N 3.33Å; E4-S7 PolarHBondContact O-N 3.5Å; E4-R8 WeakPolarHBondContact O-CB 3.22Å; E4-R8 PolarHBondContact O-N 2.79Å |
| 5 | T | 90.6 | Very high | 88.2 | Confident | 84 Ų | 84 | 108.2 Ų | 108.2 | 52% | 0.515 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 173.7 | -52.8 | 0 | 0 | 0 | 0 | 111.1 | M1 V2 R8 I9 | M1-T5 PolarHBondContact O-N 3.23Å; M1-T5 VanDerWaalsContact O-N 3.08Å; M1-T5 PolarHBondContact O-OG1 3.26Å; V2-T5 PolarHBondContact O-N 3.28Å; T5-R8 PolarHBondContact O-N 2.94Å; T5-I9 HydrophobicContact CG2-CD1 4.05Å; T5-I9 VanDerWaalsContact O-CG1 3.3Å; T5-I9 WeakPolarHBondContact O-CG1 3.36Å; T5-I9 PolarHBondContact O-N 2.85Å |
| 6 | I | 90.7 | Very high | 88.2 | Confident | 78 Ų | 78 | 104.4 Ų | 104.4 | 40% | 0.4 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 176.7 | -67.9 | 167.1 | 0 | 0 | 0 | 110.9 | V2 L3 R8 I9 I10 | V2-I6 HydrophobicContact CG1-CD1 3.9Å; V2-I6 WeakPolarHBondContact O-CG1 3.15Å; V2-I6 PolarHBondContact O-N 3.16Å; L3-I6 PolarHBondContact O-N 2.98Å; I6-R8 VanDerWaalsContact C-N 3.28Å; I6-R8 PolarHBondContact O-N 2.93Å; I6-I9 PolarHBondContact O-N 3.14Å; I6-I10 HydrophobicContact CG2-CD1 3.6Å; I6-I10 HydrophobicContact CG2-CG1 4.31Å; I6-I10 WeakPolarHBondContact O-CG1 3.45Å; I6-I10 PolarHBondContact O-N 2.91Å |
| 7 | S | 90.9 | Very high | 88.1 | Confident | 48 Ų | 48 | 104.5 Ų | 104.5 | 34% | 0.336 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -57.1 | -42.1 | 176.8 | -178 | 0 | 0 | 0 | 0 | 111.6 | L3 E4 I10 K11 | L3-S7 VanDerWaalsContact O-CB 3.3Å; L3-S7 WeakPolarHBondContact O-CB 3.38Å; L3-S7 PolarHBondContact O-N 3.19Å; E4-S7 PolarHBondContact O-N 3.5Å; S7-I10 PolarHBondContact O-N 2.77Å; S7-K11 VanDerWaalsContact O-CB 3.27Å; S7-K11 WeakPolarHBondContact O-CB 3.31Å; S7-K11 WeakPolarHBondContact O-CG 3.31Å; S7-K11 PolarHBondContact O-N 3Å |
| 8 | R | 91.6 | Very high | 87.9 | Confident | 163 Ų | 163 | 102.8 Ų | 102.8 | 62% | 0.615 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.4 | -41.7 | 177 | -166 | 179.7 | -177.3 | -178.4 | 0.6 | 112.4 | E4 T5 I6 I12 Q13 | E4-R8 WeakPolarHBondContact O-CB 3.22Å; E4-R8 PolarHBondContact O-N 2.79Å; T5-R8 PolarHBondContact O-N 2.94Å; I6-R8 VanDerWaalsContact C-N 3.28Å; I6-R8 PolarHBondContact O-N 2.93Å; R8-I12 HydrophobicContact CG-CD1 3.95Å; R8-I12 HydrophobicContact CG-CG1 4.44Å; R8-I12 WeakPolarHBondContact O-CA 3.09Å; R8-I12 VanDerWaalsContact O-CB 3.27Å; R8-I12 WeakPolarHBondContact O-CB 3.2Å; R8-I12 PolarHBondContact O-N 3.36Å; R8-Q13 PolarHBondContact O-N 3.37Å |
| 9 | I | 91.5 | Very high | 87.8 | Confident | 77 Ų | 77 | 107.3 Ų | 107.3 | 40% | 0.395 | 54% | 0.538 | S | S | . | . | I | π-helix | trans | -60.7 | -50.6 | 176.4 | -69.6 | 162.2 | 0 | 0 | 0 | 109.8 | T5 I6 Q13 L14 | T5-I9 HydrophobicContact CG2-CD1 4.05Å; T5-I9 VanDerWaalsContact O-CG1 3.3Å; T5-I9 WeakPolarHBondContact O-CG1 3.36Å; T5-I9 PolarHBondContact O-N 2.85Å; I6-I9 PolarHBondContact O-N 3.14Å; I9-Q13 PolarHBondContact O-N 2.86Å; I9-L14 WeakPolarHBondContact O-CB 3.49Å; I9-L14 PolarHBondContact O-N 2.76Å |
| 10 | I | 91 | Very high | 87.7 | Confident | 100 Ų | 100 | 110.7 Ų | 110.7 | 51% | 0.513 | 55% | 0.549 | S | S | . | . | I | π-helix | trans | -66.5 | -46.8 | -176.1 | -66.5 | 171.5 | 0 | 0 | 0 | 111.4 | I6 S7 P15 | I6-I10 HydrophobicContact CG2-CD1 3.6Å; I6-I10 HydrophobicContact CG2-CG1 4.31Å; I6-I10 WeakPolarHBondContact O-CG1 3.45Å; I6-I10 PolarHBondContact O-N 2.91Å; S7-I10 PolarHBondContact O-N 2.77Å; I10-P15 VanDerWaalsContact O-CD 3.29Å; I10-P15 WeakPolarHBondContact O-CD 3.44Å |
| 11 | K | 90.9 | Very high | 87.5 | Confident | 156 Ų | 156 | 106.2 Ų | 106.2 | 68% | 0.678 | 53% | 0.527 | S | S | * | . | I | π-helix | trans | -83.8 | -24.8 | -171.8 | -66.3 | -177.8 | 178.8 | -177 | 0 | 113.7 | S7 | S7-K11 VanDerWaalsContact O-CB 3.27Å; S7-K11 WeakPolarHBondContact O-CB 3.31Å; S7-K11 WeakPolarHBondContact O-CG 3.31Å; S7-K11 PolarHBondContact O-N 3Å |
| 12 | I | 90.5 | Very high | 88 | Confident | 100 Ų | 100 | 99.1 Ų | 99.1 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | I | π-helix | trans | -121.1 | -59.4 | -169.8 | -49.1 | -173.6 | 0 | 0 | 0 | 111.2 | R8 A16 | R8-I12 HydrophobicContact CG-CD1 3.95Å; R8-I12 HydrophobicContact CG-CG1 4.44Å; R8-I12 WeakPolarHBondContact O-CA 3.09Å; R8-I12 VanDerWaalsContact O-CB 3.27Å; R8-I12 WeakPolarHBondContact O-CB 3.2Å; R8-I12 PolarHBondContact O-N 3.36Å; I12-A16 VanDerWaalsContact O-CB 3.22Å; I12-A16 WeakPolarHBondContact O-CB 3.48Å; I12-A16 PolarHBondContact O-N 3.06Å |
| 13 | Q | 88.3 | Confident | 88 | Confident | 109 Ų | 109 | 98.3 Ų | 98.3 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | I | π-helix | trans | -71.4 | -41.2 | -170 | -64.2 | -177.7 | -22 | 0 | 0 | 112.1 | R8 I9 A16 Y17 | R8-Q13 PolarHBondContact O-N 3.37Å; I9-Q13 PolarHBondContact O-N 2.86Å; Q13-A16 PolarHBondContact O-N 3.47Å; Q13-Y17 VanDerWaalsContact O-CB 3.32Å; Q13-Y17 WeakPolarHBondContact O-CB 3.39Å; Q13-Y17 PolarHBondContact O-N 3.46Å |
| 14 | L | 86.8 | Confident | 87.7 | Confident | 87 Ų | 87 | 93.3 Ų | 93.3 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.6 | -50.7 | -178.8 | 179.3 | 66.9 | 0 | 0 | 0 | 112.3 | I9 A16 Y17 L18 | I9-L14 WeakPolarHBondContact O-CB 3.49Å; I9-L14 PolarHBondContact O-N 2.76Å; L14-A16 VanDerWaalsContact C-N 3.31Å; L14-A16 PolarHBondContact O-N 3.18Å; L14-Y17 PolarHBondContact O-N 2.8Å; L14-L18 HydrophobicContact CD1-CD1 4.25Å; L14-L18 HydrophobicContact CD1-CG 4.24Å; L14-L18 HydrophobicContact CG-CD1 4.16Å; L14-L18 WeakPolarHBondContact O-CG 3.18Å; L14-L18 PolarHBondContact O-N 2.74Å |
| 15 | P | 87.3 | Confident | 87.4 | Confident | 52 Ų | 52 | 96.4 Ų | 96.4 | 34% | 0.338 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.7 | -37.8 | 175.5 | -24.3 | 34.4 | 0 | 0 | 0 | 112.9 | I10 Y17 L18 K19 | I10-P15 VanDerWaalsContact O-CD 3.29Å; I10-P15 WeakPolarHBondContact O-CD 3.44Å; P15-Y17 VanDerWaalsContact C-N 3.33Å; P15-L18 PolarHBondContact O-N 3.46Å; P15-K19 WeakPolarHBondContact O-CB 3.34Å; P15-K19 VanDerWaalsContact O-CG 3.29Å; P15-K19 WeakPolarHBondContact O-CG 3.44Å; P15-K19 PolarHBondContact O-N 2.78Å |
| 16 | A | 88.6 | Confident | 87.2 | Confident | 47 Ų | 47 | 96.8 Ų | 96.8 | 39% | 0.388 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.1 | -36.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I12 Q13 L14 K20 | I12-A16 VanDerWaalsContact O-CB 3.22Å; I12-A16 WeakPolarHBondContact O-CB 3.48Å; I12-A16 PolarHBondContact O-N 3.06Å; Q13-A16 PolarHBondContact O-N 3.47Å; L14-A16 VanDerWaalsContact C-N 3.31Å; L14-A16 PolarHBondContact O-N 3.18Å; A16-K20 WeakPolarHBondContact O-CG 3.46Å |
| 17 | Y | 85.4 | Confident | 86.6 | Confident | 107 Ų | 107 | 100.7 Ų | 100.7 | 42% | 0.42 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.2 | -49.3 | 174.2 | 179.3 | -95.8 | 0 | 0 | 0 | 111.4 | Q13 L14 P15 K19 K20 L21 R40 | Q13-Y17 VanDerWaalsContact O-CB 3.32Å; Q13-Y17 WeakPolarHBondContact O-CB 3.39Å; Q13-Y17 PolarHBondContact O-N 3.46Å; L14-Y17 PolarHBondContact O-N 2.8Å; P15-Y17 VanDerWaalsContact C-N 3.33Å; Y17-K19 VanDerWaalsContact C-N 3.31Å; Y17-K19 PolarHBondContact O-N 2.89Å; Y17-K20 PolarHBondContact O-N 2.78Å; Y17-L21 HydrophobicContact CE1-CD1 4.41Å; Y17-L21 HydrophobicContact CE1-CD2 3.91Å; Y17-L21 HydrophobicContact CE1-CG 4.38Å; Y17-R40 PolarHBondContact OH-O 3.05Å |
| 18 | L | 85.5 | Confident | 86.2 | Confident | 73 Ų | 73 | 101 Ų | 101 | 38% | 0.382 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -38.9 | -179.2 | -68.3 | 174.9 | 0 | 0 | 0 | 112.4 | L14 P15 K20 L21 L44 | L14-L18 HydrophobicContact CD1-CD1 4.25Å; L14-L18 HydrophobicContact CD1-CG 4.24Å; L14-L18 HydrophobicContact CG-CD1 4.16Å; L14-L18 WeakPolarHBondContact O-CG 3.18Å; L14-L18 PolarHBondContact O-N 2.74Å; P15-L18 PolarHBondContact O-N 3.46Å; L18-K20 PolarHBondContact O-N 3.39Å; L18-L21 HydrophobicContact CD2-CD1 3.84Å; L18-L21 WeakPolarHBondContact O-CB 3.44Å; L18-L21 PolarHBondContact O-N 3.41Å; L18-L44 HydrophobicContact CD2-CD1 4.44Å |
| 19 | K | 85.6 | Confident | 85.8 | Confident | 188 Ų | 188 | 93.9 Ų | 93.9 | 82% | 0.817 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -21.6 | 175.8 | -75.2 | 179.2 | -179.4 | -172.9 | 0 | 114.1 | P15 Y17 | P15-K19 WeakPolarHBondContact O-CB 3.34Å; P15-K19 VanDerWaalsContact O-CG 3.29Å; P15-K19 WeakPolarHBondContact O-CG 3.44Å; P15-K19 PolarHBondContact O-N 2.78Å; Y17-K19 VanDerWaalsContact C-N 3.31Å; Y17-K19 PolarHBondContact O-N 2.89Å |
| 20 | K | 85.4 | Confident | 85.4 | Confident | 175 Ų | 175 | 94 Ų | 94 | 76% | 0.761 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -0.9 | -180 | -71.8 | 179.3 | 179.8 | -173.1 | 0 | 113.1 | A16 Y17 L18 | A16-K20 WeakPolarHBondContact O-CG 3.46Å; Y17-K20 PolarHBondContact O-N 2.78Å; L18-K20 PolarHBondContact O-N 3.39Å |
| 21 | L | 84.6 | Confident | 85 | Confident | 18 Ų | 18 | 93.7 Ų | 93.7 | 9% | 0.094 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -72.7 | 138 | 179.7 | -69.5 | 175.2 | 0 | 0 | 0 | 110.6 | Y17 L18 L23 L41 L44 | Y17-L21 HydrophobicContact CE1-CD1 4.41Å; Y17-L21 HydrophobicContact CE1-CD2 3.91Å; Y17-L21 HydrophobicContact CE1-CG 4.38Å; L18-L21 HydrophobicContact CD2-CD1 3.84Å; L18-L21 WeakPolarHBondContact O-CB 3.44Å; L18-L21 PolarHBondContact O-N 3.41Å; L21-L23 HydrophobicContact CB-CD1 4.38Å; L21-L23 HydrophobicContact CB-CG 4.07Å; L21-L23 PolarHBondContact O-N 3.25Å; L21-L41 HydrophobicContact CB-CD2 4.25Å; L21-L41 HydrophobicContact CD2-CD2 4.35Å; L21-L44 HydrophobicContact CD1-CD2 3.68Å |
| 22 | P | 82.4 | Confident | 84.7 | Confident | 31 Ų | 31 | 97 Ų | 97 | 20% | 0.201 | 51% | 0.505 | C | S | . | . | trans | -77.5 | 69.7 | 176.5 | 32.9 | -34.2 | 0 | 0 | 0 | 110 | P24 L33 D37 L41 | P22-P24 WeakPolarHBondContact O-CD 3.45Å; P22-L33 HydrophobicContact CB-CD2 4.22Å; P22-D37 HydrophobicContact CB-CB 4.03Å; P22-D37 HydrophobicContact CG-CB 3.63Å; P22-L41 HydrophobicContact CG-CD1 4.5Å; P22-L41 HydrophobicContact CG-CD2 4.44Å; P22-L41 HydrophobicContact CG-CG 4.24Å | ||
| 23 | L | 82.6 | Confident | 84.5 | Confident | 98 Ų | 98 | 93.8 Ų | 93.8 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | trans | -88.3 | 115.2 | 177.4 | -69.4 | 173.2 | 0 | 0 | 0 | 109.6 | L21 L41 | L21-L23 HydrophobicContact CB-CD1 4.38Å; L21-L23 HydrophobicContact CB-CG 4.07Å; L21-L23 PolarHBondContact O-N 3.25Å; L23-L41 HydrophobicContact CD2-CD2 3.74Å; L23-L41 HydrophobicContact CG-CD2 4.38Å | ||
| 24 | P | 82.8 | Confident | 84.4 | Confident | 33 Ų | 33 | 91.9 Ų | 91.9 | 21% | 0.214 | 49% | 0.485 | C | S | . | . | trans | -71.2 | 142.5 | 175.1 | 29.2 | -32.9 | 0 | 0 | 0 | 110.5 | P22 T26 F30 L33 | P22-P24 WeakPolarHBondContact O-CD 3.45Å; P24-T26 PolarHBondContact O-N 2.88Å; P24-F30 HydrophobicContact CG-CB 4.46Å; P24-F30 HydrophobicContact CG-CD1 3.62Å; P24-F30 HydrophobicContact CG-CD2 3.58Å; P24-F30 HydrophobicContact CG-CE1 3.58Å; P24-F30 HydrophobicContact CG-CE2 3.55Å; P24-F30 HydrophobicContact CG-CG 3.62Å; P24-F30 HydrophobicContact CG-CZ 3.54Å; P24-L33 HydrophobicContact CG-CD1 4.44Å | ||
| 25 | E | 83.2 | Confident | 84.4 | Confident | 201 Ų | 201 | 93.3 Ų | 93.3 | 94% | 0.939 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -75.6 | -12.4 | 178.9 | -61.2 | -176.3 | 167.4 | 0 | 0 | 113.1 | ||
| 26 | T | 85.3 | Confident | 84.3 | Confident | 92 Ų | 92 | 93.9 Ų | 93.9 | 56% | 0.564 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -130.4 | 151.9 | -179.4 | 63.4 | 0 | 0 | 0 | 0 | 111.6 | P24 G28 G29 | P24-T26 PolarHBondContact O-N 2.88Å; T26-G28 PolarHBondContact O-N 3.3Å; T26-G29 PolarHBondContact O-N 2.67Å; T26-G29 PolarHBondContact OG1-N 3.48Å |
| 27 | I | 79.1 | Confident | 84.2 | Confident | 159 Ų | 159 | 93.3 Ų | 93.3 | 82% | 0.815 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -60.3 | -35.1 | 179.9 | -58.6 | 173.2 | 0 | 0 | 0 | 111.2 | G29 | I27-G29 VanDerWaalsContact C-N 3.28Å; I27-G29 PolarHBondContact O-N 3.47Å |
| 28 | G | 82 | Confident | 84.3 | Confident | 54 Ų | 54 | 93.2 Ų | 93.2 | 56% | 0.557 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -72.2 | -16.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T26 F30 A31 | T26-G28 PolarHBondContact O-N 3.3Å; G28-F30 VanDerWaalsContact C-N 3.3Å; G28-F30 PolarHBondContact O-N 2.91Å; G28-A31 PolarHBondContact O-N 3.28Å |
| 29 | G | 82.8 | Confident | 84.4 | Confident | 14 Ų | 14 | 94.9 Ų | 94.9 | 14% | 0.144 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -71.1 | -23.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T26 I27 A31 R32 | T26-G29 PolarHBondContact O-N 2.67Å; T26-G29 PolarHBondContact OG1-N 3.48Å; I27-G29 VanDerWaalsContact C-N 3.28Å; I27-G29 PolarHBondContact O-N 3.47Å; G29-A31 PolarHBondContact O-N 2.86Å; G29-R32 PolarHBondContact O-N 3.13Å |
| 30 | F | 83.1 | Confident | 84.5 | Confident | 79 Ų | 79 | 93 Ų | 93 | 35% | 0.346 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -63.2 | -28.5 | 175.9 | -73.3 | -78.5 | 0 | 0 | 0 | 113 | P24 G28 R32 L33 W38 | P24-F30 HydrophobicContact CG-CB 4.46Å; P24-F30 HydrophobicContact CG-CD1 3.62Å; P24-F30 HydrophobicContact CG-CD2 3.58Å; P24-F30 HydrophobicContact CG-CE1 3.58Å; P24-F30 HydrophobicContact CG-CE2 3.55Å; P24-F30 HydrophobicContact CG-CG 3.62Å; P24-F30 HydrophobicContact CG-CZ 3.54Å; G28-F30 VanDerWaalsContact C-N 3.3Å; G28-F30 PolarHBondContact O-N 2.91Å; F30-R32 PolarHBondContact O-N 2.73Å; F30-L33 HydrophobicContact CD1-CD1 3.69Å; F30-L33 HydrophobicContact CE1-CD1 4.37Å; F30-L33 HydrophobicContact CG-CD1 4.46Å; F30-L33 PolarHBondContact O-N 3.16Å; F30-W38 HydrophobicContact CB-CZ2 4.29Å; F30-W38 HydrophobicContact CD1-CH2 4.25Å; F30-W38 HydrophobicContact CD1-CZ2 4.39Å |
| 31 | A | 83.8 | Confident | 84.7 | Confident | 95 Ų | 95 | 84.9 Ų | 84.9 | 79% | 0.785 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -70.8 | -14.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G28 G29 | G28-A31 PolarHBondContact O-N 3.28Å; G29-A31 PolarHBondContact O-N 2.86Å |
| 32 | R | 84.3 | Confident | 84.9 | Confident | 225 Ų | 225 | 88.7 Ų | 88.7 | 85% | 0.849 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -101.7 | 0.1 | -177.6 | -59.9 | -177.4 | -179.5 | -177.7 | -0.4 | 113.4 | G29 F30 | G29-R32 PolarHBondContact O-N 3.13Å; F30-R32 PolarHBondContact O-N 2.73Å |
| 33 | L | 85.4 | Confident | 85.2 | Confident | 32 Ų | 32 | 90.5 Ų | 90.5 | 17% | 0.168 | 48% | 0.484 | C | S | . | . | trans | -74.6 | 139.7 | -179.6 | -69.9 | 172.3 | 0 | 0 | 0 | 111.3 | P22 P24 F30 D37 W38 L41 | P22-L33 HydrophobicContact CB-CD2 4.22Å; P24-L33 HydrophobicContact CG-CD1 4.44Å; F30-L33 HydrophobicContact CD1-CD1 3.69Å; F30-L33 HydrophobicContact CE1-CD1 4.37Å; F30-L33 HydrophobicContact CG-CD1 4.46Å; F30-L33 PolarHBondContact O-N 3.16Å; L33-D37 HydrophobicContact CB-CB 4.24Å; L33-D37 HydrophobicContact CD2-CB 3.96Å; L33-W38 HydrophobicContact CD1-CZ2 4.39Å; L33-L41 HydrophobicContact CD1-CD1 3.85Å | ||
| 34 | T | 86.6 | Confident | 85.5 | Confident | 69 Ų | 69 | 87.9 Ų | 87.9 | 42% | 0.423 | 47% | 0.47 | S | S | . | . | trans | -75.7 | 163.2 | 174.6 | 66.6 | 0 | 0 | 0 | 0 | 111.3 | S36 D37 W38 | T34-S36 PolarHBondContact O-N 3.27Å; T34-S36 PolarHBondContact OG1-OG 3.02Å; T34-D37 PolarHBondContact N-OD2 3.02Å; T34-D37 PolarHBondContact O-N 2.67Å; T34-D37 PolarHBondContact OG1-N 2.75Å; T34-D37 PolarHBondContact OG1-OD2 3.45Å; T34-W38 PolarHBondContact O-N 2.9Å | ||
| 35 | V | 86.9 | Confident | 85.9 | Confident | 117 Ų | 117 | 89.9 Ų | 89.9 | 71% | 0.709 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.4 | -37.4 | 176.4 | -179.8 | 0 | 0 | 0 | 0 | 111.5 | D37 W38 L39 | V35-D37 VanDerWaalsContact C-N 3.34Å; V35-D37 PolarHBondContact O-N 3.39Å; V35-W38 PolarHBondContact O-N 3.17Å; V35-L39 HydrophobicContact CG1-CD1 4.41Å; V35-L39 WeakPolarHBondContact O-CG 3.37Å; V35-L39 PolarHBondContact O-N 2.84Å |
| 36 | S | 85.3 | Confident | 86.4 | Confident | 64 Ų | 64 | 82.2 Ų | 82.2 | 45% | 0.448 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.4 | -34.8 | 175.5 | 40.7 | 0 | 0 | 0 | 0 | 113.5 | T34 L39 R40 | T34-S36 PolarHBondContact O-N 3.27Å; T34-S36 PolarHBondContact OG1-OG 3.02Å; S36-L39 PolarHBondContact O-N 3.39Å; S36-R40 WeakPolarHBondContact O-CG 3.34Å; S36-R40 PolarHBondContact O-N 3.28Å |
| 37 | D | 87 | Confident | 86.8 | Confident | 35 Ų | 35 | 82.5 Ų | 82.5 | 19% | 0.187 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -71.9 | -41.4 | 177.8 | -63.3 | -38.5 | 0 | 0 | 0 | 110.9 | P22 L33 T34 V35 L39 R40 L41 | P22-D37 HydrophobicContact CB-CB 4.03Å; P22-D37 HydrophobicContact CG-CB 3.63Å; L33-D37 HydrophobicContact CB-CB 4.24Å; L33-D37 HydrophobicContact CD2-CB 3.96Å; T34-D37 PolarHBondContact N-OD2 3.02Å; T34-D37 PolarHBondContact O-N 2.67Å; T34-D37 PolarHBondContact OG1-N 2.75Å; T34-D37 PolarHBondContact OG1-OD2 3.45Å; V35-D37 VanDerWaalsContact C-N 3.34Å; V35-D37 PolarHBondContact O-N 3.39Å; D37-L39 VanDerWaalsContact C-N 3.33Å; D37-L39 PolarHBondContact O-N 3.27Å; D37-R40 PolarHBondContact O-N 3.43Å; D37-L41 WeakPolarHBondContact O-CG 3.22Å; D37-L41 PolarHBondContact O-N 3.31Å; D37-L41 VanDerWaalsContact O-N 3.16Å |
| 38 | W | 87.1 | Confident | 87.5 | Confident | 106 Ų | 106 | 79.7 Ų | 79.7 | 40% | 0.402 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 171.9 | -85.3 | 106.1 | 0 | 0 | 0 | 112.3 | F30 L33 T34 V35 R40 L41 L42 L45 | F30-W38 HydrophobicContact CB-CZ2 4.29Å; F30-W38 HydrophobicContact CD1-CH2 4.25Å; F30-W38 HydrophobicContact CD1-CZ2 4.39Å; L33-W38 HydrophobicContact CD1-CZ2 4.39Å; T34-W38 PolarHBondContact O-N 2.9Å; V35-W38 PolarHBondContact O-N 3.17Å; W38-R40 VanDerWaalsContact C-N 3.3Å; W38-R40 PolarHBondContact O-N 2.74Å; W38-L41 PolarHBondContact O-N 3.43Å; W38-L41 VanDerWaalsContact O-N 3.14Å; W38-L42 PolarHBondContact O-N 3.05Å; W38-L45 HydrophobicContact CE3-CD1 4.38Å; W38-L45 HydrophobicContact CZ3-CD1 4Å |
| 39 | L | 88.1 | Confident | 88.1 | Confident | 107 Ų | 107 | 80.2 Ų | 80.2 | 56% | 0.56 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.7 | -38.5 | 176.2 | -76.5 | 169 | 0 | 0 | 0 | 112.5 | V35 S36 D37 L41 L42 | V35-L39 HydrophobicContact CG1-CD1 4.41Å; V35-L39 WeakPolarHBondContact O-CG 3.37Å; V35-L39 PolarHBondContact O-N 2.84Å; S36-L39 PolarHBondContact O-N 3.39Å; D37-L39 VanDerWaalsContact C-N 3.33Å; D37-L39 PolarHBondContact O-N 3.27Å; L39-L41 VanDerWaalsContact C-N 3.3Å; L39-L41 PolarHBondContact O-N 2.83Å; L39-L42 HydrophobicContact CD2-CD1 3.79Å; L39-L42 WeakPolarHBondContact O-CB 3.06Å; L39-L42 PolarHBondContact O-N 3Å |
| 40 | R | 87.5 | Confident | 88.7 | Confident | 150 Ų | 150 | 84.2 Ų | 84.2 | 57% | 0.566 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -70.2 | -26 | 177.4 | -70.8 | 173.9 | -179.9 | 176.2 | 1.7 | 113.2 | Y17 S36 D37 W38 P43 | Y17-R40 PolarHBondContact OH-O 3.05Å; S36-R40 WeakPolarHBondContact O-CG 3.34Å; S36-R40 PolarHBondContact O-N 3.28Å; D37-R40 PolarHBondContact O-N 3.43Å; W38-R40 VanDerWaalsContact C-N 3.3Å; W38-R40 PolarHBondContact O-N 2.74Å; R40-P43 WeakPolarHBondContact O-CD 2.89Å |
| 41 | L | 88.9 | Confident | 89.3 | Confident | 4 Ų | 4 | 85.1 Ų | 85.1 | 2% | 0.021 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -82 | -21.5 | 177.2 | -67.6 | 172.5 | 0 | 0 | 0 | 113 | L21 P22 L23 L33 D37 W38 L39 L44 L45 | L21-L41 HydrophobicContact CB-CD2 4.25Å; L21-L41 HydrophobicContact CD2-CD2 4.35Å; P22-L41 HydrophobicContact CG-CD1 4.5Å; P22-L41 HydrophobicContact CG-CD2 4.44Å; P22-L41 HydrophobicContact CG-CG 4.24Å; L23-L41 HydrophobicContact CD2-CD2 3.74Å; L23-L41 HydrophobicContact CG-CD2 4.38Å; L33-L41 HydrophobicContact CD1-CD1 3.85Å; D37-L41 WeakPolarHBondContact O-CG 3.22Å; D37-L41 PolarHBondContact O-N 3.31Å; D37-L41 VanDerWaalsContact O-N 3.16Å; W38-L41 PolarHBondContact O-N 3.43Å; W38-L41 VanDerWaalsContact O-N 3.14Å; L39-L41 VanDerWaalsContact C-N 3.3Å; L39-L41 PolarHBondContact O-N 2.83Å; L41-L44 PolarHBondContact O-N 2.79Å; L41-L44 VanDerWaalsContact O-N 3.09Å; L41-L45 HydrophobicContact CB-CD1 4.16Å; L41-L45 HydrophobicContact CB-CG 4.43Å; L41-L45 WeakPolarHBondContact O-CG 3.48Å; L41-L45 PolarHBondContact O-N 3.34Å |
| 42 | L | 89.5 | Confident | 89.9 | Confident | 98 Ų | 98 | 82 Ų | 82 | 51% | 0.513 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -50.8 | -45.4 | -177.5 | -74.7 | 177.7 | 0 | 0 | 0 | 114.6 | W38 L39 L44 L45 G46 | W38-L42 PolarHBondContact O-N 3.05Å; L39-L42 HydrophobicContact CD2-CD1 3.79Å; L39-L42 WeakPolarHBondContact O-CB 3.06Å; L39-L42 PolarHBondContact O-N 3Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-L44 PolarHBondContact O-N 3.37Å; L42-L45 PolarHBondContact O-N 3.43Å; L42-G46 PolarHBondContact O-N 2.87Å |
| 43 | P | 89.1 | Confident | 90.3 | Very high | 68 Ų | 68 | 77.2 Ų | 77.2 | 44% | 0.442 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 179.7 | -23.4 | 35 | 0 | 0 | 0 | 112.5 | R40 I47 | R40-P43 WeakPolarHBondContact O-CD 2.89Å; P43-I47 WeakPolarHBondContact O-CD1 3.03Å; P43-I47 VanDerWaalsContact O-CG1 3.25Å; P43-I47 WeakPolarHBondContact O-CG1 3.27Å; P43-I47 PolarHBondContact O-N 2.97Å; P43-I47 VanDerWaalsContact O-N 3.09Å |
| 44 | L | 88.4 | Confident | 90.8 | Very high | 43 Ų | 43 | 79.9 Ų | 79.9 | 23% | 0.225 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -68.6 | -46.7 | 178.6 | -178.9 | 65.2 | 0 | 0 | 0 | 110.9 | L18 L21 L41 L42 G46 I47 L48 | L18-L44 HydrophobicContact CD2-CD1 4.44Å; L21-L44 HydrophobicContact CD1-CD2 3.68Å; L41-L44 PolarHBondContact O-N 2.79Å; L41-L44 VanDerWaalsContact O-N 3.09Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-L44 PolarHBondContact O-N 3.37Å; L44-G46 VanDerWaalsContact C-N 3.3Å; L44-G46 PolarHBondContact O-N 2.88Å; L44-I47 PolarHBondContact O-N 2.76Å; L44-L48 HydrophobicContact CD1-CD1 4.43Å; L44-L48 HydrophobicContact CD1-CG 4.47Å; L44-L48 HydrophobicContact CG-CD1 4.12Å; L44-L48 WeakPolarHBondContact O-CG 3.25Å; L44-L48 PolarHBondContact O-N 3.38Å |
| 45 | L | 90.9 | Very high | 91.2 | Very high | 75 Ų | 75 | 80.9 Ų | 80.9 | 39% | 0.393 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 177.8 | -67.2 | 176.4 | 0 | 0 | 0 | 111.7 | W38 L41 L42 L48 A49 | W38-L45 HydrophobicContact CE3-CD1 4.38Å; W38-L45 HydrophobicContact CZ3-CD1 4Å; L41-L45 HydrophobicContact CB-CD1 4.16Å; L41-L45 HydrophobicContact CB-CG 4.43Å; L41-L45 WeakPolarHBondContact O-CG 3.48Å; L41-L45 PolarHBondContact O-N 3.34Å; L42-L45 PolarHBondContact O-N 3.43Å; L45-L48 PolarHBondContact O-N 3.41Å; L45-A49 WeakPolarHBondContact O-CB 3.11Å; L45-A49 PolarHBondContact O-N 3.21Å |
| 46 | G | 93.7 | Very high | 91.5 | Very high | 41 Ų | 41 | 79.7 Ų | 79.7 | 42% | 0.423 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L42 L44 L50 | L42-G46 PolarHBondContact O-N 2.87Å; L44-G46 VanDerWaalsContact C-N 3.3Å; L44-G46 PolarHBondContact O-N 2.88Å; G46-L50 VanDerWaalsContact O-CB 3.25Å; G46-L50 WeakPolarHBondContact O-CB 3.17Å; G46-L50 PolarHBondContact O-N 2.69Å |
| 47 | I | 93.1 | Very high | 91.6 | Very high | 98 Ų | 98 | 83.5 Ų | 83.5 | 50% | 0.503 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64 | -46.7 | 175.7 | -66.8 | 165.3 | 0 | 0 | 0 | 110.7 | P43 L44 L50 L51 | P43-I47 WeakPolarHBondContact O-CD1 3.03Å; P43-I47 VanDerWaalsContact O-CG1 3.25Å; P43-I47 WeakPolarHBondContact O-CG1 3.27Å; P43-I47 PolarHBondContact O-N 2.97Å; P43-I47 VanDerWaalsContact O-N 3.09Å; L44-I47 PolarHBondContact O-N 2.76Å; I47-L50 PolarHBondContact O-N 3.12Å; I47-L51 HydrophobicContact CG2-CD1 3.93Å; I47-L51 HydrophobicContact CG2-CG 4.37Å; I47-L51 WeakPolarHBondContact O-CB 3.38Å; I47-L51 WeakPolarHBondContact O-CG 3.31Å; I47-L51 PolarHBondContact O-N 2.84Å |
| 48 | L | 93.8 | Very high | 91.6 | Very high | 99 Ų | 99 | 86.1 Ų | 86.1 | 52% | 0.518 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 179.5 | -69.8 | 175.1 | 0 | 0 | 0 | 112 | L44 L45 L51 G52 | L44-L48 HydrophobicContact CD1-CD1 4.43Å; L44-L48 HydrophobicContact CD1-CG 4.47Å; L44-L48 HydrophobicContact CG-CD1 4.12Å; L44-L48 WeakPolarHBondContact O-CG 3.25Å; L44-L48 PolarHBondContact O-N 3.38Å; L45-L48 PolarHBondContact O-N 3.41Å; L48-L51 PolarHBondContact O-N 3.15Å; L48-G52 PolarHBondContact O-N 3.49Å |
| 49 | A | 94.9 | Very high | 91.6 | Very high | 65 Ų | 65 | 89.3 Ų | 89.3 | 54% | 0.537 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L45 Y53 | L45-A49 WeakPolarHBondContact O-CB 3.11Å; L45-A49 PolarHBondContact O-N 3.21Å; A49-Y53 VanDerWaalsContact O-CB 3.27Å; A49-Y53 WeakPolarHBondContact O-CB 3.46Å; A49-Y53 PolarHBondContact O-N 2.93Å |
| 50 | L | 95.7 | Very high | 91.4 | Very high | 99 Ų | 99 | 88.2 Ų | 88.2 | 52% | 0.518 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.7 | -47.7 | 176.1 | 178 | 61.9 | 0 | 0 | 0 | 111.4 | G46 I47 Y53 L54 | G46-L50 VanDerWaalsContact O-CB 3.25Å; G46-L50 WeakPolarHBondContact O-CB 3.17Å; G46-L50 PolarHBondContact O-N 2.69Å; I47-L50 PolarHBondContact O-N 3.12Å; L50-Y53 PolarHBondContact O-N 3.39Å; L50-L54 HydrophobicContact CD1-CD1 4.21Å; L50-L54 HydrophobicContact CD1-CG 4.22Å; L50-L54 HydrophobicContact CG-CD1 4.16Å; L50-L54 WeakPolarHBondContact O-CB 3.27Å; L50-L54 VanDerWaalsContact O-CG 3.27Å; L50-L54 WeakPolarHBondContact O-CG 3.13Å; L50-L54 PolarHBondContact O-N 3.11Å |
| 51 | L | 95.9 | Very high | 90.9 | Very high | 98 Ų | 98 | 86.7 Ų | 86.7 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 177.5 | -70.2 | 174.1 | 0 | 0 | 0 | 111.2 | I47 L48 Y53 L54 T55 | I47-L51 HydrophobicContact CG2-CD1 3.93Å; I47-L51 HydrophobicContact CG2-CG 4.37Å; I47-L51 WeakPolarHBondContact O-CB 3.38Å; I47-L51 WeakPolarHBondContact O-CG 3.31Å; I47-L51 PolarHBondContact O-N 2.84Å; L48-L51 PolarHBondContact O-N 3.15Å; L51-Y53 VanDerWaalsContact C-N 3.34Å; L51-Y53 PolarHBondContact O-N 2.98Å; L51-L54 PolarHBondContact O-N 3.42Å; L51-T55 WeakPolarHBondContact O-CG2 3.4Å; L51-T55 PolarHBondContact O-N 3.33Å; L51-T55 PolarHBondContact O-OG1 3.29Å |
| 52 | G | 95.6 | Very high | 90 | Very high | 28 Ų | 28 | 95.2 Ų | 95.2 | 29% | 0.289 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L48 T55 I56 | L48-G52 PolarHBondContact O-N 3.49Å; G52-T55 PolarHBondContact O-OG1 2.94Å; G52-I56 WeakPolarHBondContact O-CB 3.39Å; G52-I56 WeakPolarHBondContact O-CD1 3.4Å; G52-I56 WeakPolarHBondContact O-CG1 3.21Å; G52-I56 PolarHBondContact O-N 3Å |
| 53 | Y | 93.7 | Very high | 88.4 | Confident | 126 Ų | 126 | 100.2 Ų | 100.2 | 49% | 0.494 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 174.1 | 174.4 | -102.9 | 0 | 0 | 0 | 111.5 | A49 L50 L51 T55 I56 R57 | A49-Y53 VanDerWaalsContact O-CB 3.27Å; A49-Y53 WeakPolarHBondContact O-CB 3.46Å; A49-Y53 PolarHBondContact O-N 2.93Å; L50-Y53 PolarHBondContact O-N 3.39Å; L51-Y53 VanDerWaalsContact C-N 3.34Å; L51-Y53 PolarHBondContact O-N 2.98Å; Y53-T55 VanDerWaalsContact C-N 3.34Å; Y53-T55 PolarHBondContact O-N 3.46Å; Y53-I56 PolarHBondContact O-N 3.31Å; Y53-R57 HydrophobicContact CE1-CB 4.46Å; Y53-R57 HydrophobicContact CE1-CG 4.44Å; Y53-R57 WeakPolarHBondContact O-CA 3.32Å; Y53-R57 WeakPolarHBondContact O-CB 3.2Å; Y53-R57 PolarHBondContact O-N 2.88Å |
| 54 | L | 95.1 | Very high | 86.9 | Confident | 88 Ų | 88 | 104.2 Ų | 104.2 | 46% | 0.461 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.6 | -36.5 | -178.9 | -70.9 | 175.4 | 0 | 0 | 0 | 112.6 | L50 L51 P58 | L50-L54 HydrophobicContact CD1-CD1 4.21Å; L50-L54 HydrophobicContact CD1-CG 4.22Å; L50-L54 HydrophobicContact CG-CD1 4.16Å; L50-L54 WeakPolarHBondContact O-CB 3.27Å; L50-L54 VanDerWaalsContact O-CG 3.27Å; L50-L54 WeakPolarHBondContact O-CG 3.13Å; L50-L54 PolarHBondContact O-N 3.11Å; L51-L54 PolarHBondContact O-N 3.42Å; L54-P58 WeakPolarHBondContact O-CD 3.36Å |
| 55 | T | 94.8 | Very high | 85.1 | Confident | 89 Ų | 89 | 112 Ų | 112 | 55% | 0.546 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -72.4 | -35.6 | 176.4 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | L51 G52 Y53 P58 F59 | L51-T55 WeakPolarHBondContact O-CG2 3.4Å; L51-T55 PolarHBondContact O-N 3.33Å; L51-T55 PolarHBondContact O-OG1 3.29Å; G52-T55 PolarHBondContact O-OG1 2.94Å; Y53-T55 VanDerWaalsContact C-N 3.34Å; Y53-T55 PolarHBondContact O-N 3.46Å; T55-P58 WeakPolarHBondContact O-CD 3.27Å; T55-P58 WeakPolarHBondContact O-CG 3.49Å; T55-F59 WeakPolarHBondContact O-CD2 3.27Å; T55-F59 WeakPolarHBondContact O-CE2 3.49Å |
| 56 | I | 93.1 | Very high | 83.2 | Confident | 92 Ų | 92 | 115.5 Ų | 115.5 | 47% | 0.472 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -84.5 | -29.8 | -178.7 | -63.3 | 167.6 | 0 | 0 | 0 | 112.1 | G52 Y53 P58 F59 L60 | G52-I56 WeakPolarHBondContact O-CB 3.39Å; G52-I56 WeakPolarHBondContact O-CD1 3.4Å; G52-I56 WeakPolarHBondContact O-CG1 3.21Å; G52-I56 PolarHBondContact O-N 3Å; Y53-I56 PolarHBondContact O-N 3.31Å; I56-P58 VanDerWaalsContact C-CD 3.42Å; I56-F59 WeakPolarHBondContact O-CA 3.39Å; I56-F59 WeakPolarHBondContact O-CB 3.14Å; I56-F59 PolarHBondContact O-N 2.91Å; I56-L60 HydrophobicContact CG2-CD1 4.17Å; I56-L60 HydrophobicContact CG2-CD2 3.92Å; I56-L60 HydrophobicContact CG2-CG 3.83Å; I56-L60 PolarHBondContact O-N 3.3Å; I56-L60 VanDerWaalsContact O-N 3.11Å |
| 57 | R | 88.9 | Confident | 81.2 | Confident | 144 Ų | 144 | 123.5 Ų | 123.5 | 54% | 0.543 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -47.4 | -42.8 | -179.2 | -177.7 | -179.1 | -176.5 | -161.6 | 1.8 | 115.7 | Y53 F59 L60 | Y53-R57 HydrophobicContact CE1-CB 4.46Å; Y53-R57 HydrophobicContact CE1-CG 4.44Å; Y53-R57 WeakPolarHBondContact O-CA 3.32Å; Y53-R57 WeakPolarHBondContact O-CB 3.2Å; Y53-R57 PolarHBondContact O-N 2.88Å; R57-F59 PolarHBondContact O-N 3.22Å; R57-L60 PolarHBondContact O-N 3.26Å |
| 58 | P | 85.6 | Confident | 79.3 | Confident | 90 Ų | 90 | 123.5 Ų | 123.5 | 58% | 0.584 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -23.9 | 177.5 | 25.8 | -34.5 | 0 | 0 | 0 | 113.5 | L54 T55 I56 | L54-P58 WeakPolarHBondContact O-CD 3.36Å; T55-P58 WeakPolarHBondContact O-CD 3.27Å; T55-P58 WeakPolarHBondContact O-CG 3.49Å; I56-P58 VanDerWaalsContact C-CD 3.42Å |
| 59 | F | 87.2 | Confident | 78.2 | Confident | 173 Ų | 173 | 123.5 Ų | 123.5 | 76% | 0.759 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -16.3 | 179.5 | -58.3 | -76.6 | 0 | 0 | 0 | 113.1 | T55 I56 R57 | T55-F59 WeakPolarHBondContact O-CD2 3.27Å; T55-F59 WeakPolarHBondContact O-CE2 3.49Å; I56-F59 WeakPolarHBondContact O-CA 3.39Å; I56-F59 WeakPolarHBondContact O-CB 3.14Å; I56-F59 PolarHBondContact O-N 2.91Å; R57-F59 PolarHBondContact O-N 3.22Å |
| 60 | L | 84.8 | Confident | 77.8 | Confident | 84 Ų | 84 | 125.9 Ų | 125.9 | 44% | 0.44 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -70 | 134 | 173.2 | -66.2 | 174 | 0 | 0 | 0 | 110 | I56 R57 K62 | I56-L60 HydrophobicContact CG2-CD1 4.17Å; I56-L60 HydrophobicContact CG2-CD2 3.92Å; I56-L60 HydrophobicContact CG2-CG 3.83Å; I56-L60 PolarHBondContact O-N 3.3Å; I56-L60 VanDerWaalsContact O-N 3.11Å; R57-L60 PolarHBondContact O-N 3.26Å; L60-K62 PolarHBondContact O-N 3.48Å |
| 61 | P | 75.9 | Confident | 77.7 | Confident | 119 Ų | 119 | 126.5 Ų | 126.5 | 77% | 0.773 | 62% | 0.624 | S | S | * | * | trans | -59.3 | 114.4 | 175.3 | 24.1 | -32.2 | 0 | 0 | 0 | 108.6 | K63 | P61-K63 PolarHBondContact O-N 3.44Š| ||
| 62 | K | 69.4 | Low | 77.7 | Confident | 182 Ų | 182 | 122.9 Ų | 122.9 | 79% | 0.791 | 61% | 0.605 | S | S | * | * | trans | -61.9 | 112.3 | 169.9 | -68.5 | -177 | -177.3 | 175.6 | 0 | 106.3 | L60 K64 | L60-K62 PolarHBondContact O-N 3.48Å; K62-K64 VanDerWaalsContact C-N 3.29Å; K62-K64 PolarHBondContact O-N 3Å | ||
| 63 | K | 57.1 | Low | 77.7 | Confident | 204 Ų | 204 | 126.1 Ų | 126.1 | 89% | 0.887 | 62% | 0.615 | S | S | * | * | trans | -54.7 | 105.3 | 157.1 | -73.8 | -170.6 | 178.4 | -175.2 | 0 | 105 | P61 K65 | P61-K63 PolarHBondContact O-N 3.44Å; K63-K65 PolarHBondContact O-N 3.03Å | ||
| 64 | K | 57 | Low | 77.7 | Confident | 152 Ų | 152 | 129 Ų | 129 | 66% | 0.661 | 63% | 0.631 | S | S | * | * | trans | -54.9 | 111.7 | 172.3 | -78.8 | -178.5 | -179.2 | 177.4 | 0 | 104.1 | K62 Q66 L120 | K62-K64 VanDerWaalsContact C-N 3.29Å; K62-K64 PolarHBondContact O-N 3Å; K64-Q66 PolarHBondContact O-N 3.04Å; K64-L120 PolarHBondContact NZ-O 3.32Å | ||
| 65 | K | 51.3 | Low | 77.8 | Confident | 205 Ų | 205 | 126.1 Ų | 126.1 | 89% | 0.891 | 62% | 0.615 | S | S | * | * | trans | -59.2 | 97.7 | 165.1 | -103.7 | -174.2 | 177.2 | -175.5 | 0 | 104 | K63 K67 | K63-K65 PolarHBondContact O-N 3.03Å; K65-K67 PolarHBondContact O-N 3.44Å | ||
| 66 | Q | 50.9 | Low | 77.9 | Confident | 149 Ų | 149 | 125.4 Ų | 125.4 | 70% | 0.696 | 61% | 0.605 | S | S | * | * | trans | -56.1 | 106.5 | 178.8 | -120.7 | -168.5 | -52.3 | 0 | 0 | 105 | K64 D68 | K64-Q66 PolarHBondContact O-N 3.04Å; Q66-D68 HydrophobicContact CB-CB 4.23Å; Q66-D68 VanDerWaalsContact CB-OD1 3.25Å; Q66-D68 WeakPolarHBondContact CB-OD1 3.2Å; Q66-D68 WeakPolarHBondContact CB-OD2 3.49Å; Q66-D68 WeakPolarHBondContact CG-OD1 3.36Å; Q66-D68 WeakPolarHBondContact CG-OD2 3.47Å; Q66-D68 PolarHBondContact NE2-OD1 3.14Å; Q66-D68 PolarHBondContact NE2-OD2 2.82Å; Q66-D68 PolarHBondContact O-N 3.49Å; Q66-D68 PolarHBondContact OE1-OD2 3.45Å | ||
| 67 | K | 51.6 | Low | 78 | Confident | 210 Ų | 210 | 126.2 Ų | 126.2 | 91% | 0.913 | 61% | 0.606 | S | S | * | * | trans | -73.9 | 55.3 | 169.8 | -86.6 | -173 | 172.2 | -176 | 0 | 107.5 | K65 S69 | K65-K67 PolarHBondContact O-N 3.44Å; K67-S69 PolarHBondContact O-N 2.94Å | ||
| 68 | D | 54.1 | Low | 78.4 | Confident | 98 Ų | 98 | 127.1 Ų | 127.1 | 52% | 0.524 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.1 | 99.3 | -163.3 | -77.2 | -15.7 | 0 | 0 | 0 | 113.4 | Q66 | Q66-D68 HydrophobicContact CB-CB 4.23Å; Q66-D68 VanDerWaalsContact CB-OD1 3.25Å; Q66-D68 WeakPolarHBondContact CB-OD1 3.2Å; Q66-D68 WeakPolarHBondContact CB-OD2 3.49Å; Q66-D68 WeakPolarHBondContact CG-OD1 3.36Å; Q66-D68 WeakPolarHBondContact CG-OD2 3.47Å; Q66-D68 PolarHBondContact NE2-OD1 3.14Å; Q66-D68 PolarHBondContact NE2-OD2 2.82Å; Q66-D68 PolarHBondContact O-N 3.49Å; Q66-D68 PolarHBondContact OE1-OD2 3.45Å |
| 69 | S | 68.9 | Low | 78.8 | Confident | 99 Ų | 99 | 125.9 Ų | 125.9 | 69% | 0.692 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.5 | -26.9 | 137.5 | 60 | 0 | 0 | 0 | 0 | 110.3 | K67 I71 | K67-S69 PolarHBondContact O-N 2.94Å; S69-I71 PolarHBondContact O-N 3.07Å |
| 70 | L | 88 | Confident | 79.2 | Confident | 115 Ų | 115 | 124.1 Ų | 124.1 | 60% | 0.602 | 61% | 0.611 | S | S | * | * | trans | -79.6 | 98.3 | -174.6 | -59.1 | -178.6 | 0 | 0 | 0 | 111.2 | L73 | L70-L73 HydrophobicContact CB-CD2 4.33Š| ||
| 71 | I | 93.9 | Very high | 79.8 | Confident | 111 Ų | 111 | 127.7 Ų | 127.7 | 57% | 0.569 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -65.5 | -51.5 | 171 | -56.8 | 173.7 | 0 | 0 | 0 | 109.5 | S69 W102 R103 | S69-I71 PolarHBondContact O-N 3.07Å; I71-W102 HydrophobicContact CG2-CB 4.5Å; I71-W102 HydrophobicContact CG2-CG 4.11Å; I71-R103 PolarHBondContact O-NH1 2.78Å; I71-R103 PolarHBondContact O-NH2 2.89Å; I71-R103 VanDerWaalsContact O-NH2 3.13Å |
| 72 | N | 95.5 | Very high | 80.8 | Confident | 22 Ų | 22 | 123 Ų | 123 | 12% | 0.118 | 59% | 0.592 | C | S | . | * | trans | -84.4 | 124.8 | 175.7 | 178.4 | 9 | 0 | 0 | 0 | 110.8 | K74 I75 K77 W102 | N72-K74 PolarHBondContact OD1-N 3.32Å; N72-K74 VanDerWaalsContact OD1-N 3.16Å; N72-I75 PolarHBondContact ND2-O 3.31Å; N72-I75 WeakPolarHBondContact OD1-CB 3.34Å; N72-I75 PolarHBondContact OD1-N 3.44Å; N72-K77 WeakPolarHBondContact O-CE 3.38Å; N72-K77 PolarHBondContact O-NZ 3.32Å; N72-W102 HydrophobicContact CB-CB 4.14Å; N72-W102 HydrophobicContact CB-CD2 3.67Å; N72-W102 HydrophobicContact CB-CE3 3.46Å; N72-W102 VanDerWaalsContact CB-CE3 3.46Å; N72-W102 HydrophobicContact CB-CG 4.01Å; N72-W102 HydrophobicContact CB-CZ3 4.06Å; N72-W102 WeakPolarHBondContact ND2-CZ3 3.46Å | ||
| 73 | L | 94.1 | Very high | 82.1 | Confident | 96 Ų | 96 | 118.4 Ų | 118.4 | 50% | 0.503 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -101.9 | -29.6 | 179.5 | -60.7 | 179.5 | 0 | 0 | 0 | 114 | L70 K77 | L70-L73 HydrophobicContact CB-CD2 4.33Å; L73-K77 VanDerWaalsContact C-CE 3.41Å; L73-K77 WeakPolarHBondContact O-CE 3.49Å |
| 74 | K | 94.7 | Very high | 83.9 | Confident | 188 Ų | 188 | 111.6 Ų | 111.6 | 82% | 0.817 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -142.7 | -17.4 | -165.9 | -62.6 | -173.4 | -179.9 | -174.1 | 0 | 115.7 | N72 Q76 | N72-K74 PolarHBondContact OD1-N 3.32Å; N72-K74 VanDerWaalsContact OD1-N 3.16Å; K74-Q76 PolarHBondContact O-N 3.48Å |
| 75 | I | 97 | Very high | 85.6 | Confident | 26 Ų | 26 | 113.2 Ų | 113.2 | 13% | 0.133 | 56% | 0.562 | C | S | . | * | S | Bend | trans | -82.8 | 121.5 | -170 | -63.1 | 164.4 | 0 | 0 | 0 | 108.7 | N72 K77 W102 F107 | N72-I75 PolarHBondContact ND2-O 3.31Å; N72-I75 WeakPolarHBondContact OD1-CB 3.34Å; N72-I75 PolarHBondContact OD1-N 3.44Å; I75-K77 PolarHBondContact O-N 3.05Å; I75-W102 HydrophobicContact CB-CE3 4.18Å; I75-W102 HydrophobicContact CB-CZ3 4.5Å; I75-W102 HydrophobicContact CD1-CB 4.24Å; I75-W102 HydrophobicContact CD1-CE3 4.08Å; I75-W102 HydrophobicContact CG2-CE3 4.39Å; I75-W102 HydrophobicContact CG2-CZ3 4.35Å; I75-F107 HydrophobicContact CD1-CB 3.94Å; I75-F107 HydrophobicContact CD1-CD1 4.31Å; I75-F107 HydrophobicContact CD1-CD2 3.72Å; I75-F107 HydrophobicContact CD1-CE2 4.31Å; I75-F107 HydrophobicContact CD1-CG 3.72Å; I75-F107 HydrophobicContact CG2-CD1 3.66Å; I75-F107 HydrophobicContact CG2-CE1 3.97Å; I75-F107 HydrophobicContact CG2-CG 4.16Å |
| 76 | Q | 96.1 | Very high | 87.4 | Confident | 74 Ų | 74 | 106.4 Ų | 106.4 | 35% | 0.346 | 54% | 0.535 | S | S | . | . | trans | 43.8 | 60 | 170.4 | -60.1 | 177.6 | 21.8 | 0 | 0 | 113.5 | K74 E78 N79 V82 | K74-Q76 PolarHBondContact O-N 3.48Å; Q76-E78 VanDerWaalsContact C-N 3.28Å; Q76-E78 PolarHBondContact O-N 3.29Å; Q76-N79 HydrophobicContact CB-CB 4.24Å; Q76-N79 PolarHBondContact O-N 3.43Å; Q76-V82 HydrophobicContact CB-CG2 3.58Å; Q76-V82 WeakPolarHBondContact O-CG2 3.41Å | ||
| 77 | K | 96.4 | Very high | 89.2 | Confident | 110 Ų | 110 | 104.4 Ų | 104.4 | 48% | 0.478 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -20.7 | -174.2 | -73.9 | -60.1 | -167.3 | 171.7 | 0 | 113.8 | N72 L73 I75 | N72-K77 WeakPolarHBondContact O-CE 3.38Å; N72-K77 PolarHBondContact O-NZ 3.32Å; L73-K77 VanDerWaalsContact C-CE 3.41Å; L73-K77 WeakPolarHBondContact O-CE 3.49Å; I75-K77 PolarHBondContact O-N 3.05Å |
| 78 | E | 96.3 | Very high | 90.8 | Very high | 163 Ų | 163 | 99.8 Ų | 99.8 | 76% | 0.762 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -24 | 169.1 | 61.2 | -81.6 | -170.5 | 0 | 0 | 112.6 | Q76 | Q76-E78 VanDerWaalsContact C-N 3.28Å; Q76-E78 PolarHBondContact O-N 3.29Å |
| 79 | N | 95.1 | Very high | 92.1 | Very high | 64 Ų | 64 | 101.7 Ų | 101.7 | 34% | 0.342 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -89.8 | 118.8 | 177.8 | -175.4 | -13.5 | 0 | 0 | 0 | 110.1 | Q76 K81 V82 | Q76-N79 HydrophobicContact CB-CB 4.24Å; Q76-N79 PolarHBondContact O-N 3.43Å; N79-K81 PolarHBondContact ND2-O 3.4Å; N79-K81 PolarHBondContact O-N 3.19Å; N79-K81 PolarHBondContact OD1-N 3.37Å; N79-K81 PolarHBondContact OD1-O 3.28Å; N79-V82 HydrophobicContact CB-CG2 4.01Å |
| 80 | P | 95.1 | Very high | 92.7 | Very high | 136 Ų | 136 | 102.5 Ų | 102.5 | 88% | 0.883 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -63.1 | -24.4 | 179.8 | 26.2 | -35.1 | 0 | 0 | 0 | 113.1 | ||
| 81 | K | 96.5 | Very high | 92.4 | Very high | 158 Ų | 158 | 97.6 Ų | 97.6 | 69% | 0.687 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -147.3 | 99.4 | 177.3 | -172.7 | -175.7 | 68.2 | 176.3 | 0 | 110.7 | N79 V83 | N79-K81 PolarHBondContact ND2-O 3.4Å; N79-K81 PolarHBondContact O-N 3.19Å; N79-K81 PolarHBondContact OD1-N 3.37Å; N79-K81 PolarHBondContact OD1-O 3.28Å; K81-V83 HydrophobicContact CD-CG2 4.24Å; K81-V83 HydrophobicContact CG-CG2 4.05Å; K81-V83 PolarHBondContact O-N 3.21Å |
| 82 | V | 97.3 | Very high | 91.3 | Very high | 22 Ų | 22 | 100 Ų | 100 | 13% | 0.133 | 50% | 0.504 | C | S | . | . | trans | -74.6 | 118.5 | 176.9 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | Q76 N79 W102 F107 | Q76-V82 HydrophobicContact CB-CG2 3.58Å; Q76-V82 WeakPolarHBondContact O-CG2 3.41Å; N79-V82 HydrophobicContact CB-CG2 4.01Å; V82-W102 HydrophobicContact CB-CH2 3.74Å; V82-W102 HydrophobicContact CB-CZ3 3.86Å; V82-W102 HydrophobicContact CG1-CH2 3.97Å; V82-W102 HydrophobicContact CG1-CZ3 3.87Å; V82-W102 HydrophobicContact CG2-CZ3 4.27Å; V82-F107 HydrophobicContact CG1-CE1 4Å | ||
| 83 | V | 96.9 | Very high | 90.3 | Very high | 84 Ų | 84 | 107.8 Ų | 107.8 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | trans | -127.1 | 142.7 | 176.9 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | K81 | K81-V83 HydrophobicContact CD-CG2 4.24Å; K81-V83 HydrophobicContact CG-CG2 4.05Å; K81-V83 PolarHBondContact O-N 3.21Å | ||
| 84 | N | 95 | Very high | 89.5 | Confident | 62 Ų | 62 | 107 Ų | 107 | 33% | 0.332 | 53% | 0.53 | S | S | . | . | trans | -124.4 | 120.5 | 174.8 | -63.2 | 103.2 | 0 | 0 | 0 | 109.2 | F107 P108 | N84-F107 WeakPolarHBondContact OD1-CE1 3.45Å; N84-P108 HydrophobicContact CB-CB 3.93Å; N84-P108 HydrophobicContact CB-CG 4.11Å | ||
| 85 | E | 93.2 | Very high | 89 | Confident | 186 Ų | 186 | 101.9 Ų | 101.9 | 87% | 0.869 | 51% | 0.512 | S | S | * | . | trans | -92.6 | 140 | 173.8 | -67.1 | 173.2 | -166.8 | 0 | 0 | 109 | ||||
| 86 | I | 89 | Confident | 88.8 | Confident | 62 Ų | 62 | 101.7 Ų | 101.7 | 32% | 0.318 | 51% | 0.512 | S | S | . | . | trans | -140 | 118.3 | -176 | -61.5 | 149.7 | 0 | 0 | 0 | 106.7 | L91 Y98 | I86-L91 HydrophobicContact CG2-CD2 4.04Å; I86-Y98 HydrophobicContact CD1-CD1 3.56Å; I86-Y98 HydrophobicContact CD1-CD2 4.11Å; I86-Y98 HydrophobicContact CD1-CE1 3.21Å; I86-Y98 HydrophobicContact CD1-CE2 3.8Å; I86-Y98 HydrophobicContact CD1-CG 3.99Å; I86-Y98 HydrophobicContact CG1-CE1 3.76Å; I86-Y98 HydrophobicContact CG2-CE2 4.42Å; I86-Y98 WeakPolarHBondContact CG2-OH 3.25Å | ||
| 87 | D | 87.8 | Confident | 88.7 | Confident | 106 Ų | 106 | 100.2 Ų | 100.2 | 57% | 0.567 | 51% | 0.509 | S | S | * | . | trans | -76.9 | 130.6 | 170.2 | -65.1 | -41.7 | 0 | 0 | 0 | 109.6 | E89 D90 | D87-E89 VanDerWaalsContact C-N 3.27Å; D87-E89 PolarHBondContact O-N 3.19Å; D87-D90 HydrophobicContact CB-CB 4.34Å; D87-D90 PolarHBondContact O-N 3.47Å | ||
| 88 | I | 85.3 | Confident | 88.7 | Confident | 114 Ų | 114 | 96.4 Ų | 96.4 | 59% | 0.585 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -73.8 | -29.2 | -172.8 | -60.4 | 172.6 | 0 | 0 | 0 | 109.9 | D90 L91 | I88-D90 VanDerWaalsContact C-N 3.35Å; I88-L91 HydrophobicContact CG2-CD1 4.15Å; I88-L91 WeakPolarHBondContact O-CB 3.48Å; I88-L91 WeakPolarHBondContact O-CG 3.25Å; I88-L91 PolarHBondContact O-N 3.41Å |
| 89 | E | 82.8 | Confident | 88.8 | Confident | 138 Ų | 138 | 89.3 Ų | 89.3 | 65% | 0.645 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -42.2 | 178.6 | -65.3 | 73.8 | -162.3 | 0 | 0 | 111.1 | D87 L91 K132 | D87-E89 VanDerWaalsContact C-N 3.27Å; D87-E89 PolarHBondContact O-N 3.19Å; E89-L91 PolarHBondContact O-N 3.46Å; E89-K132 PolarHBondContact O-NZ 3.09Å |
| 90 | D | 80.9 | Confident | 88.9 | Confident | 116 Ų | 116 | 93.3 Ų | 93.3 | 62% | 0.62 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 0.5 | -177.3 | -74.2 | -5.5 | 0 | 0 | 0 | 113.9 | D87 I88 N92 | D87-D90 HydrophobicContact CB-CB 4.34Å; D87-D90 PolarHBondContact O-N 3.47Å; I88-D90 VanDerWaalsContact C-N 3.35Å; D90-N92 VanDerWaalsContact C-N 3.27Å; D90-N92 PolarHBondContact O-N 3.26Å |
| 91 | L | 82.1 | Confident | 89 | Confident | 11 Ų | 11 | 87.2 Ų | 87.2 | 6% | 0.058 | 43% | 0.431 | C | S | . | . | trans | -68 | 88.9 | 171.9 | -63.4 | 174.9 | 0 | 0 | 0 | 109.7 | I86 I88 E89 R93 V96 Y98 L130 | I86-L91 HydrophobicContact CG2-CD2 4.04Å; I88-L91 HydrophobicContact CG2-CD1 4.15Å; I88-L91 WeakPolarHBondContact O-CB 3.48Å; I88-L91 WeakPolarHBondContact O-CG 3.25Å; I88-L91 PolarHBondContact O-N 3.41Å; E89-L91 PolarHBondContact O-N 3.46Å; L91-R93 PolarHBondContact O-N 2.81Å; L91-R93 VanDerWaalsContact O-N 3.16Å; L91-V96 HydrophobicContact CD2-CB 4.13Å; L91-V96 HydrophobicContact CD2-CG2 3.86Å; L91-Y98 HydrophobicContact CD2-CE2 4.43Å; L91-L130 HydrophobicContact CD1-CB 4.29Å; L91-L130 HydrophobicContact CD1-CD1 4.42Å | ||
| 92 | N | 70.7 | Confident | 89.1 | Confident | 163 Ų | 163 | 82.7 Ų | 82.7 | 87% | 0.872 | 41% | 0.41 | S | S | * | . | trans | -64.9 | -12.8 | 177.4 | -75.9 | -21.1 | 0 | 0 | 0 | 113.7 | D90 | D90-N92 VanDerWaalsContact C-N 3.27Å; D90-N92 PolarHBondContact O-N 3.26Å | ||
| 93 | R | 74.3 | Confident | 89.1 | Confident | 185 Ų | 185 | 85 Ų | 85 | 70% | 0.698 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -117.1 | 145.2 | -179.4 | -63.1 | -175 | 179.2 | 136 | 0.9 | 110.4 | L91 N95 V96 | L91-R93 PolarHBondContact O-N 2.81Å; L91-R93 VanDerWaalsContact O-N 3.16Å; R93-N95 PolarHBondContact O-N 3.42Å; R93-V96 HydrophobicContact CB-CG2 3.94Å |
| 94 | T | 78.1 | Confident | 89.1 | Confident | 79 Ų | 79 | 81.3 Ų | 81.3 | 49% | 0.485 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -59.2 | -31.3 | 174.9 | 39.5 | 0 | 0 | 0 | 0 | 112.9 | K131 K132 I134 | T94-K131 VanDerWaalsContact O-CA 3.31Å; T94-K131 WeakPolarHBondContact O-CA 3.36Å; T94-K132 PolarHBondContact O-N 3.31Å; T94-I134 HydrophobicContact CG2-CD1 3.95Å |
| 95 | N | 84.2 | Confident | 89.2 | Confident | 81 Ų | 81 | 87.4 Ų | 87.4 | 43% | 0.433 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 123 | 175.6 | -59.6 | -56.7 | 0 | 0 | 0 | 110.1 | R93 L130 K131 | R93-N95 PolarHBondContact O-N 3.42Å; N95-L130 WeakPolarHBondContact CA-O 3.49Å; N95-K131 VanDerWaalsContact OD1-CD 3.31Å; N95-K131 WeakPolarHBondContact OD1-CD 3.49Å; N95-K131 WeakPolarHBondContact OD1-CG 3.27Å |
| 96 | V | 91.1 | Very high | 89.3 | Confident | 21 Ų | 21 | 82.3 Ų | 82.3 | 13% | 0.127 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 131.6 | 172 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | L91 R93 Y98 L130 | L91-V96 HydrophobicContact CD2-CB 4.13Å; L91-V96 HydrophobicContact CD2-CG2 3.86Å; R93-V96 HydrophobicContact CB-CG2 3.94Å; V96-Y98 HydrophobicContact CB-CE2 3.99Å; V96-Y98 HydrophobicContact CG1-CD2 4.15Å; V96-Y98 HydrophobicContact CG1-CE1 4.45Å; V96-Y98 HydrophobicContact CG1-CE2 3.45Å; V96-Y98 VanDerWaalsContact CG1-CE2 3.45Å; V96-L130 PolarHBondContact N-O 2.9Å; V96-L130 PolarHBondContact O-N 3.39Å |
| 97 | C | 94.6 | Very high | 89.7 | Confident | 43 Ų | 43 | 81.2 Ų | 81.2 | 29% | 0.291 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 123.5 | -179.4 | -60.6 | 0 | 0 | 0 | 0 | 109.6 | V109 C110 P127 L128 | C97-V109 WeakPolarHBondContact O-CG1 3.36Å; C97-C110 HydrophobicContact CB-CB 3.87Å; C97-C110 WeakPolarHBondContact O-CB 3.32Å; C97-C110 PolarHBondContact O-N 3.41Å; C97-P127 HydrophobicContact CB-CB 4.13Å; C97-P127 HydrophobicContact CB-CG 4.46Å; C97-L128 CarbonylContact C-O 3.51Å; C97-L128 WeakPolarHBondContact CA-O 3.27Å |
| 98 | Y | 96.4 | Very high | 90.1 | Very high | 30 Ų | 30 | 77.9 Ų | 77.9 | 12% | 0.118 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 142.4 | 176.6 | -70.9 | -82.5 | 0 | 0 | 0 | 111.7 | I86 L91 V96 P108 V109 P127 L128 L130 | I86-Y98 HydrophobicContact CD1-CD1 3.56Å; I86-Y98 HydrophobicContact CD1-CD2 4.11Å; I86-Y98 HydrophobicContact CD1-CE1 3.21Å; I86-Y98 HydrophobicContact CD1-CE2 3.8Å; I86-Y98 HydrophobicContact CD1-CG 3.99Å; I86-Y98 HydrophobicContact CG1-CE1 3.76Å; I86-Y98 HydrophobicContact CG2-CE2 4.42Å; I86-Y98 WeakPolarHBondContact CG2-OH 3.25Å; L91-Y98 HydrophobicContact CD2-CE2 4.43Å; V96-Y98 HydrophobicContact CB-CE2 3.99Å; V96-Y98 HydrophobicContact CG1-CD2 4.15Å; V96-Y98 HydrophobicContact CG1-CE1 4.45Å; V96-Y98 HydrophobicContact CG1-CE2 3.45Å; V96-Y98 VanDerWaalsContact CG1-CE2 3.45Å; Y98-P108 CarbonylContact C-O 3.53Å; Y98-P108 WeakPolarHBondContact CA-O 3.47Å; Y98-P108 HydrophobicContact CD1-CB 4.18Å; Y98-P108 HydrophobicContact CD1-CG 4.39Å; Y98-P108 WeakPolarHBondContact CD1-O 3.42Å; Y98-P108 HydrophobicContact CE1-CG 4.35Å; Y98-V109 HydrophobicContact CE1-CG2 4.27Å; Y98-P127 CarbonylContact O-C 3.59Å; Y98-P127 WeakPolarHBondContact O-CA 3.39Å; Y98-P127 WeakPolarHBondContact O-CB 3.3Å; Y98-L128 PolarHBondContact N-O 2.92Å; Y98-L128 PolarHBondContact O-N 2.72Å; Y98-L130 HydrophobicContact CD2-CD1 3.9Å; Y98-L130 HydrophobicContact CD2-CG 4.08Å; Y98-L130 HydrophobicContact CE2-CD1 3.68Å; Y98-L130 HydrophobicContact CE2-CG 4.2Å |
| 99 | C | 98.1 | Very high | 90.6 | Very high | 15 Ų | 15 | 75.1 Ų | 75.1 | 10% | 0.101 | 37% | 0.365 | C | S | . | . | trans | -73.7 | 132.4 | -175.9 | -175.1 | 0 | 0 | 0 | 0 | 111.1 | C101 W102 F107 P108 | C99-C101 PolarHBondContact SG-SG 3.09Å; C99-W102 PolarHBondContact SG-N 3.39Å; C99-F107 HydrophobicContact CB-CD2 3.82Å; C99-F107 HydrophobicContact CB-CE2 4.14Å; C99-P108 WeakPolarHBondContact CB-O 3.41Å; C99-P108 PolarHBondContact N-O 2.82Å | ||
| 100 | R | 98 | Very high | 91.3 | Very high | 148 Ų | 148 | 69.6 Ų | 69.6 | 56% | 0.558 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -116.1 | -5.3 | 168.6 | -59.9 | -168.8 | -64.3 | 173.2 | -1.2 | 113.7 | G126 L128 | R100-G126 PolarHBondContact NE-O 3.31Å; R100-G126 PolarHBondContact NH2-O 3.41Å; R100-G126 VanDerWaalsContact NH2-O 3.14Å; R100-L128 HydrophobicContact CG-CB 4.38Å |
| 101 | C | 97.3 | Very high | 92 | Very high | 7 Ų | 7 | 66.6 Ų | 66.6 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -93.7 | -8.8 | -175.9 | 70.1 | 0 | 0 | 0 | 0 | 114.3 | C99 R103 H114 V125 | C99-C101 PolarHBondContact SG-SG 3.09Å; C101-R103 PolarHBondContact O-N 2.9Å; C101-R103 VanDerWaalsContact O-N 3.17Å; C101-R103 PolarHBondContact O-NH1 3.35Å; C101-H114 HydrophobicContact CB-CB 3.94Å; C101-V125 HydrophobicContact CB-CB 4.5Å; C101-V125 HydrophobicContact CB-CG2 3.7Å |
| 102 | W | 97.8 | Very high | 92.8 | Very high | 63 Ų | 63 | 73.1 Ų | 73.1 | 24% | 0.239 | 35% | 0.353 | C | S | . | . | S | Bend | trans | 55.9 | 29.2 | -176.1 | -59.3 | 80 | 0 | 0 | 0 | 114.3 | I71 N72 I75 V82 C99 F107 | I71-W102 HydrophobicContact CG2-CB 4.5Å; I71-W102 HydrophobicContact CG2-CG 4.11Å; N72-W102 HydrophobicContact CB-CB 4.14Å; N72-W102 HydrophobicContact CB-CD2 3.67Å; N72-W102 HydrophobicContact CB-CE3 3.46Å; N72-W102 VanDerWaalsContact CB-CE3 3.46Å; N72-W102 HydrophobicContact CB-CG 4.01Å; N72-W102 HydrophobicContact CB-CZ3 4.06Å; N72-W102 WeakPolarHBondContact ND2-CZ3 3.46Å; I75-W102 HydrophobicContact CB-CE3 4.18Å; I75-W102 HydrophobicContact CB-CZ3 4.5Å; I75-W102 HydrophobicContact CD1-CB 4.24Å; I75-W102 HydrophobicContact CD1-CE3 4.08Å; I75-W102 HydrophobicContact CG2-CE3 4.39Å; I75-W102 HydrophobicContact CG2-CZ3 4.35Å; V82-W102 HydrophobicContact CB-CH2 3.74Å; V82-W102 HydrophobicContact CB-CZ3 3.86Å; V82-W102 HydrophobicContact CG1-CH2 3.97Å; V82-W102 HydrophobicContact CG1-CZ3 3.87Å; V82-W102 HydrophobicContact CG2-CZ3 4.27Å; C99-W102 PolarHBondContact SG-N 3.39Å; W102-F107 HydrophobicContact CD2-CE2 4.32Å; W102-F107 HydrophobicContact CD2-CZ 4.4Å; W102-F107 HydrophobicContact CE3-CE2 4.18Å; W102-F107 AromaticContact CE3-CZ 4Å; W102-F107 HydrophobicContact CE3-CZ 4Å; W102-F107 HydrophobicContact CH2-CZ 4.2Å; W102-F107 HydrophobicContact CZ3-CE1 4.31Å; W102-F107 AromaticContact CZ3-CZ 3.9Å; W102-F107 HydrophobicContact CZ3-CZ 3.9Å |
| 103 | R | 97.5 | Very high | 94.1 | Very high | 70 Ų | 70 | 66.8 Ų | 66.8 | 26% | 0.264 | 32% | 0.321 | S | S | . | . | trans | -114.2 | -8 | 175.3 | -59.5 | -67.5 | 173.4 | -88.8 | -2.8 | 113.2 | I71 C101 S113 H117 | I71-R103 PolarHBondContact O-NH1 2.78Å; I71-R103 PolarHBondContact O-NH2 2.89Å; I71-R103 VanDerWaalsContact O-NH2 3.13Å; C101-R103 PolarHBondContact O-N 2.9Å; C101-R103 VanDerWaalsContact O-N 3.17Å; C101-R103 PolarHBondContact O-NH1 3.35Å; R103-S113 WeakPolarHBondContact O-CB 3.44Å; R103-S113 PolarHBondContact O-OG 3.44Å; R103-H117 HydrophobicContact CG-CB 4.14Å | ||
| 104 | S | 97.7 | Very high | 95.2 | Very high | 7 Ų | 7 | 59.3 Ų | 59.3 | 5% | 0.049 | 29% | 0.294 | C | S | . | . | trans | -68.9 | 137.5 | -175.4 | -166.9 | 0 | 0 | 0 | 0 | 112.1 | T106 V109 D111 | S104-T106 VanDerWaalsContact C-N 3.35Å; S104-T106 PolarHBondContact OG-N 2.88Å; S104-T106 PolarHBondContact OG-OG1 2.65Å; S104-V109 WeakPolarHBondContact CB-O 3.34Å; S104-V109 PolarHBondContact OG-O 2.94Å; S104-D111 VanDerWaalsContact CA-OD1 3.27Å; S104-D111 WeakPolarHBondContact CA-OD1 3.36Å; S104-D111 VanDerWaalsContact CB-OD1 3.31Å; S104-D111 WeakPolarHBondContact CB-OD1 3.39Å; S104-D111 PolarHBondContact OG-N 3.16Å; S104-D111 PolarHBondContact OG-OD1 2.96Å; S104-D111 PolarHBondContact OG-OD2 2.98Å | ||
| 105 | K | 96.7 | Very high | 96.1 | Very high | 191 Ų | 191 | 59.4 Ų | 59.4 | 83% | 0.83 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -26.8 | 173 | -62.4 | -179.4 | -178.5 | 179.2 | 0 | 112 | D111 | K105-D111 PolarHBondContact N-OD2 3.45Š|
| 106 | T | 95.9 | Very high | 96.7 | Very high | 78 Ų | 78 | 62.1 Ų | 62.1 | 48% | 0.479 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 32 | 177.3 | 59.5 | 0 | 0 | 0 | 0 | 111.5 | S104 V109 | S104-T106 VanDerWaalsContact C-N 3.35Å; S104-T106 PolarHBondContact OG-N 2.88Å; S104-T106 PolarHBondContact OG-OG1 2.65Å; T106-V109 WeakPolarHBondContact O-CB 3.32Å; T106-V109 PolarHBondContact O-N 3.38Å; T106-V109 PolarHBondContact OG1-O 2.88Å |
| 107 | F | 96.9 | Very high | 96.9 | Very high | 39 Ų | 39 | 62.6 Ų | 62.6 | 17% | 0.171 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 130.8 | -179.7 | -172 | -90.9 | 0 | 0 | 0 | 110.1 | I75 V82 N84 C99 W102 | I75-F107 HydrophobicContact CD1-CB 3.94Å; I75-F107 HydrophobicContact CD1-CD1 4.31Å; I75-F107 HydrophobicContact CD1-CD2 3.72Å; I75-F107 HydrophobicContact CD1-CE2 4.31Å; I75-F107 HydrophobicContact CD1-CG 3.72Å; I75-F107 HydrophobicContact CG2-CD1 3.66Å; I75-F107 HydrophobicContact CG2-CE1 3.97Å; I75-F107 HydrophobicContact CG2-CG 4.16Å; V82-F107 HydrophobicContact CG1-CE1 4Å; N84-F107 WeakPolarHBondContact OD1-CE1 3.45Å; C99-F107 HydrophobicContact CB-CD2 3.82Å; C99-F107 HydrophobicContact CB-CE2 4.14Å; W102-F107 HydrophobicContact CD2-CE2 4.32Å; W102-F107 HydrophobicContact CD2-CZ 4.4Å; W102-F107 HydrophobicContact CE3-CE2 4.18Å; W102-F107 AromaticContact CE3-CZ 4Å; W102-F107 HydrophobicContact CE3-CZ 4Å; W102-F107 HydrophobicContact CH2-CZ 4.2Å; W102-F107 HydrophobicContact CZ3-CE1 4.31Å; W102-F107 AromaticContact CZ3-CZ 3.9Å; W102-F107 HydrophobicContact CZ3-CZ 3.9Å |
| 108 | P | 96.1 | Very high | 97 | Very high | 37 Ų | 37 | 62 Ų | 62 | 24% | 0.24 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -88.6 | -4.6 | 18.6 | 34.6 | -37.4 | 0 | 0 | 0 | 116.4 | N84 Y98 C99 | N84-P108 HydrophobicContact CB-CB 3.93Å; N84-P108 HydrophobicContact CB-CG 4.11Å; Y98-P108 CarbonylContact C-O 3.53Å; Y98-P108 WeakPolarHBondContact CA-O 3.47Å; Y98-P108 HydrophobicContact CD1-CB 4.18Å; Y98-P108 HydrophobicContact CD1-CG 4.39Å; Y98-P108 WeakPolarHBondContact CD1-O 3.42Å; Y98-P108 HydrophobicContact CE1-CG 4.35Å; C99-P108 WeakPolarHBondContact CB-O 3.41Å; C99-P108 PolarHBondContact N-O 2.82Å |
| 109 | V | 95.6 | Very high | 97 | Very high | 56 Ų | 56 | 67.8 Ų | 67.8 | 34% | 0.339 | 32% | 0.322 | S | S | . | . | B | Isolated β-bridge | trans | -73.8 | 149 | 179.9 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | C97 Y98 S104 T106 | C97-V109 WeakPolarHBondContact O-CG1 3.36Å; Y98-V109 HydrophobicContact CE1-CG2 4.27Å; S104-V109 WeakPolarHBondContact CB-O 3.34Å; S104-V109 PolarHBondContact OG-O 2.94Å; T106-V109 WeakPolarHBondContact O-CB 3.32Å; T106-V109 PolarHBondContact O-N 3.38Å; T106-V109 PolarHBondContact OG1-O 2.88Å |
| 110 | C | 97 | Very high | 96.7 | Very high | 21 Ų | 21 | 72 Ų | 72 | 14% | 0.142 | 34% | 0.343 | C | S | . | . | trans | -84.9 | 118.3 | 176 | 175.7 | 0 | 0 | 0 | 0 | 112 | C97 K112 H114 P127 | C97-C110 HydrophobicContact CB-CB 3.87Å; C97-C110 WeakPolarHBondContact O-CB 3.32Å; C97-C110 PolarHBondContact O-N 3.41Å; C110-K112 PolarHBondContact SG-N 3.22Å; C110-K112 VanDerWaalsContact SG-N 3.41Å; C110-H114 VanDerWaalsContact SG-CE1 3.55Å; C110-H114 PolarHBondContact SG-ND1 3.26Å; C110-H114 VanDerWaalsContact SG-ND1 3.39Å; C110-P127 HydrophobicContact CB-CB 3.76Å | ||
| 111 | D | 97.1 | Very high | 96.3 | Very high | 53 Ų | 53 | 68.7 Ų | 68.7 | 28% | 0.283 | 34% | 0.339 | S | S | . | . | trans | -99.3 | 17.1 | 173.8 | 67.2 | -12.5 | 0 | 0 | 0 | 113.7 | S104 K105 S113 | S104-D111 VanDerWaalsContact CA-OD1 3.27Å; S104-D111 WeakPolarHBondContact CA-OD1 3.36Å; S104-D111 VanDerWaalsContact CB-OD1 3.31Å; S104-D111 WeakPolarHBondContact CB-OD1 3.39Å; S104-D111 PolarHBondContact OG-N 3.16Å; S104-D111 PolarHBondContact OG-OD1 2.96Å; S104-D111 PolarHBondContact OG-OD2 2.98Å; K105-D111 PolarHBondContact N-OD2 3.45Å; D111-S113 VanDerWaalsContact C-N 3.26Å; D111-S113 PolarHBondContact O-N 2.86Å; D111-S113 WeakPolarHBondContact OD1-CB 3.3Å; D111-S113 PolarHBondContact OD1-N 3.37Å; D111-S113 PolarHBondContact OD1-OG 3.37Å; D111-S113 PolarHBondContact OD2-OG 3.47Å | ||
| 112 | K | 97.1 | Very high | 96.1 | Very high | 149 Ų | 149 | 71.9 Ų | 71.9 | 65% | 0.648 | 37% | 0.373 | S | S | * | . | S | Bend | trans | 68.6 | 11.5 | -175.3 | -50.5 | 176.1 | -179.6 | 177.4 | 0 | 115.5 | C110 H114 I115 | C110-K112 PolarHBondContact SG-N 3.22Å; C110-K112 VanDerWaalsContact SG-N 3.41Å; K112-H114 PolarHBondContact O-N 2.93Å; K112-I115 HydrophobicContact CB-CD1 4Å; K112-I115 HydrophobicContact CB-CG1 4.48Å; K112-I115 PolarHBondContact O-N 2.98Å |
| 113 | S | 97.9 | Very high | 95.9 | Very high | 29 Ų | 29 | 72 Ų | 72 | 20% | 0.203 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.6 | -17.9 | 174.4 | -67.7 | 0 | 0 | 0 | 0 | 114.5 | R103 D111 I115 H117 | R103-S113 WeakPolarHBondContact O-CB 3.44Å; R103-S113 PolarHBondContact O-OG 3.44Å; D111-S113 VanDerWaalsContact C-N 3.26Å; D111-S113 PolarHBondContact O-N 2.86Å; D111-S113 WeakPolarHBondContact OD1-CB 3.3Å; D111-S113 PolarHBondContact OD1-N 3.37Å; D111-S113 PolarHBondContact OD1-OG 3.37Å; D111-S113 PolarHBondContact OD2-OG 3.47Å; S113-I115 VanDerWaalsContact C-N 3.28Å; S113-I115 PolarHBondContact O-N 3.2Å; S113-H117 PolarHBondContact O-N 2.88Å |
| 114 | H | 97.4 | Very high | 95.9 | Very high | 28 Ų | 28 | 75.5 Ų | 75.5 | 13% | 0.13 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.1 | -29 | 174.3 | 62.7 | -92.2 | 0 | 0 | 0 | 113.2 | C101 C110 K112 H117 N118 V125 | C101-H114 HydrophobicContact CB-CB 3.94Å; C110-H114 VanDerWaalsContact SG-CE1 3.55Å; C110-H114 PolarHBondContact SG-ND1 3.26Å; C110-H114 VanDerWaalsContact SG-ND1 3.39Å; K112-H114 PolarHBondContact O-N 2.93Å; H114-H117 PolarHBondContact O-N 3.03Å; H114-N118 WeakPolarHBondContact O-CB 3.42Å; H114-N118 PolarHBondContact O-N 3.48Å; H114-N118 PolarHBondContact O-OD1 2.95Å; H114-V125 HydrophobicContact CB-CG2 4.35Å |
| 115 | I | 97.9 | Very high | 95.9 | Very high | 81 Ų | 81 | 77.2 Ų | 77.2 | 42% | 0.415 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.5 | -53.8 | 179.5 | -60.7 | 176.3 | 0 | 0 | 0 | 109.7 | K112 S113 H117 N118 E119 | K112-I115 HydrophobicContact CB-CD1 4Å; K112-I115 HydrophobicContact CB-CG1 4.48Å; K112-I115 PolarHBondContact O-N 2.98Å; S113-I115 VanDerWaalsContact C-N 3.28Å; S113-I115 PolarHBondContact O-N 3.2Å; I115-H117 VanDerWaalsContact C-N 3.28Å; I115-H117 PolarHBondContact O-N 3.34Å; I115-N118 PolarHBondContact O-N 3.02Å; I115-E119 WeakPolarHBondContact O-CG 3.34Å; I115-E119 PolarHBondContact O-N 3.44Å |
| 116 | K | 97.3 | Very high | 96 | Very high | 139 Ų | 139 | 69 Ų | 69 | 60% | 0.604 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.4 | -36.4 | 177.3 | -177.2 | 173.6 | -178.1 | 172.5 | 0 | 112.5 | L120 | K116-L120 HydrophobicContact CG-CD1 3.88Å; K116-L120 HydrophobicContact CG-CG 4.4Å; K116-L120 WeakPolarHBondContact O-CB 3.22Å; K116-L120 WeakPolarHBondContact O-CG 3.35Å; K116-L120 PolarHBondContact O-N 3.29Å; K116-L120 VanDerWaalsContact O-N 3.15Å |
| 117 | H | 95.8 | Very high | 96 | Very high | 30 Ų | 30 | 66.8 Ų | 66.8 | 14% | 0.139 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.9 | -53.5 | 174.7 | 172.3 | 85.8 | 0 | 0 | 0 | 110.5 | R103 S113 H114 I115 E119 L120 T121 D123 | R103-H117 HydrophobicContact CG-CB 4.14Å; S113-H117 PolarHBondContact O-N 2.88Å; H114-H117 PolarHBondContact O-N 3.03Å; I115-H117 VanDerWaalsContact C-N 3.28Å; I115-H117 PolarHBondContact O-N 3.34Å; H117-E119 PolarHBondContact O-N 3.05Å; H117-L120 PolarHBondContact O-N 3.48Å; H117-L120 VanDerWaalsContact O-N 3.12Å; H117-T121 PolarHBondContact O-N 2.94Å; H117-T121 PolarHBondContact O-OG1 2.9Å; H117-D123 IonicContact CD2-OD2 3.54Å; H117-D123 IonicContact CE1-OD2 3.89Å; H117-D123 IonicContact NE2-OD2 2.78Å; H117-D123 PolarHBondContact NE2-OD2 3.2Å |
| 118 | N | 96.6 | Very high | 96 | Very high | 32 Ų | 32 | 69 Ų | 69 | 17% | 0.171 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56.8 | -45.2 | 178.8 | -69.7 | -4.8 | 0 | 0 | 0 | 112.3 | H114 I115 L120 T121 G122 D123 V125 | H114-N118 WeakPolarHBondContact O-CB 3.42Å; H114-N118 PolarHBondContact O-N 3.48Å; H114-N118 PolarHBondContact O-OD1 2.95Å; I115-N118 PolarHBondContact O-N 3.02Å; N118-L120 VanDerWaalsContact C-N 3.34Å; N118-L120 PolarHBondContact O-N 3.27Å; N118-T121 PolarHBondContact O-N 3.49Å; N118-G122 VanDerWaalsContact O-CA 3.27Å; N118-G122 WeakPolarHBondContact O-CA 3.29Å; N118-G122 PolarHBondContact O-N 3.18Å; N118-D123 WeakPolarHBondContact CB-O 3.29Å; N118-D123 PolarHBondContact O-N 3.34Å; N118-D123 PolarHBondContact OD1-O 3.44Å; N118-V125 PolarHBondContact ND2-O 3.08Å; N118-V125 WeakPolarHBondContact OD1-CG2 3.29Å; N118-V125 PolarHBondContact OD1-N 3.02Å |
| 119 | E | 95.3 | Very high | 95.9 | Very high | 150 Ų | 150 | 71.3 Ų | 71.3 | 70% | 0.701 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -59.5 | -42.1 | 176.2 | -72.9 | 170.6 | 179.4 | 0 | 0 | 112.7 | I115 H117 | I115-E119 WeakPolarHBondContact O-CG 3.34Å; I115-E119 PolarHBondContact O-N 3.44Å; H117-E119 PolarHBondContact O-N 3.05Å |
| 120 | L | 92.6 | Very high | 95.7 | Very high | 104 Ų | 104 | 71.1 Ų | 71.1 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -79.1 | -31.1 | -176.4 | -70.6 | 174.6 | 0 | 0 | 0 | 113.2 | K64 K116 H117 N118 | K64-L120 PolarHBondContact NZ-O 3.32Å; K116-L120 HydrophobicContact CG-CD1 3.88Å; K116-L120 HydrophobicContact CG-CG 4.4Å; K116-L120 WeakPolarHBondContact O-CB 3.22Å; K116-L120 WeakPolarHBondContact O-CG 3.35Å; K116-L120 PolarHBondContact O-N 3.29Å; K116-L120 VanDerWaalsContact O-N 3.15Å; H117-L120 PolarHBondContact O-N 3.48Å; H117-L120 VanDerWaalsContact O-N 3.12Å; N118-L120 VanDerWaalsContact C-N 3.34Å; N118-L120 PolarHBondContact O-N 3.27Å |
| 121 | T | 89.9 | Confident | 95.3 | Very high | 79 Ų | 79 | 77.5 Ų | 77.5 | 49% | 0.485 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -104.2 | -19 | -174.1 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | H117 N118 D123 | H117-T121 PolarHBondContact O-N 2.94Å; H117-T121 PolarHBondContact O-OG1 2.9Å; N118-T121 PolarHBondContact O-N 3.49Å; T121-D123 VanDerWaalsContact C-N 3.29Å; T121-D123 WeakPolarHBondContact OG1-CB 3.46Å; T121-D123 PolarHBondContact OG1-N 3.24Å |
| 122 | G | 91.9 | Very high | 94.7 | Very high | 73 Ų | 73 | 79.7 Ų | 79.7 | 75% | 0.753 | 42% | 0.421 | S | S | * | . | trans | 75.6 | 18.1 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N118 | N118-G122 VanDerWaalsContact O-CA 3.27Å; N118-G122 WeakPolarHBondContact O-CA 3.29Å; N118-G122 PolarHBondContact O-N 3.18Å | ||
| 123 | D | 94.8 | Very high | 93.8 | Very high | 65 Ų | 65 | 80.7 Ų | 80.7 | 35% | 0.348 | 43% | 0.425 | S | S | . | . | trans | -81.6 | 170.3 | 178.5 | -164.1 | 0.2 | 0 | 0 | 0 | 111.3 | H117 N118 T121 | H117-D123 IonicContact CD2-OD2 3.54Å; H117-D123 IonicContact CE1-OD2 3.89Å; H117-D123 IonicContact NE2-OD2 2.78Å; H117-D123 PolarHBondContact NE2-OD2 3.2Å; N118-D123 WeakPolarHBondContact CB-O 3.29Å; N118-D123 PolarHBondContact O-N 3.34Å; N118-D123 PolarHBondContact OD1-O 3.44Å; T121-D123 VanDerWaalsContact C-N 3.29Å; T121-D123 WeakPolarHBondContact OG1-CB 3.46Å; T121-D123 PolarHBondContact OG1-N 3.24Å | ||
| 124 | N | 96.9 | Very high | 92.6 | Very high | 144 Ų | 144 | 85.6 Ų | 85.6 | 77% | 0.77 | 45% | 0.448 | S | S | * | . | trans | -132.5 | 25.3 | -176.1 | 69.4 | -13.1 | 0 | 0 | 0 | 113.9 | ||||
| 125 | V | 97.6 | Very high | 91 | Very high | 44 Ų | 44 | 94 Ų | 94 | 27% | 0.267 | 49% | 0.493 | S | S | . | . | trans | -69.1 | 150.1 | 179.8 | -67.6 | 0 | 0 | 0 | 0 | 112.6 | C101 H114 N118 | C101-V125 HydrophobicContact CB-CB 4.5Å; C101-V125 HydrophobicContact CB-CG2 3.7Å; H114-V125 HydrophobicContact CB-CG2 4.35Å; N118-V125 PolarHBondContact ND2-O 3.08Å; N118-V125 WeakPolarHBondContact OD1-CG2 3.29Å; N118-V125 PolarHBondContact OD1-N 3.02Å | ||
| 126 | G | 97.6 | Very high | 90.7 | Very high | 19 Ų | 19 | 94.7 Ų | 94.7 | 20% | 0.196 | 50% | 0.497 | C | S | . | . | trans | -145.7 | 168.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R100 | R100-G126 PolarHBondContact NE-O 3.31Å; R100-G126 PolarHBondContact NH2-O 3.41Å; R100-G126 VanDerWaalsContact NH2-O 3.14Å | ||
| 127 | P | 97.8 | Very high | 90.3 | Very high | 31 Ų | 31 | 92.4 Ų | 92.4 | 20% | 0.201 | 49% | 0.491 | C | S | . | . | trans | -71.2 | 164.8 | -178.3 | 30.3 | -33.9 | 0 | 0 | 0 | 112.7 | C97 Y98 C110 I129 | C97-P127 HydrophobicContact CB-CB 4.13Å; C97-P127 HydrophobicContact CB-CG 4.46Å; Y98-P127 CarbonylContact O-C 3.59Å; Y98-P127 WeakPolarHBondContact O-CA 3.39Å; Y98-P127 WeakPolarHBondContact O-CB 3.3Å; C110-P127 HydrophobicContact CB-CB 3.76Å; P127-I129 HydrophobicContact CG-CG1 4.45Å | ||
| 128 | L | 96.4 | Very high | 90 | Very high | 84 Ų | 84 | 95.8 Ų | 95.8 | 44% | 0.44 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 127.2 | 160 | 175.1 | 64.1 | 0 | 0 | 0 | 108 | C97 Y98 R100 L130 | C97-L128 CarbonylContact C-O 3.51Å; C97-L128 WeakPolarHBondContact CA-O 3.27Å; Y98-L128 PolarHBondContact N-O 2.92Å; Y98-L128 PolarHBondContact O-N 2.72Å; R100-L128 HydrophobicContact CG-CB 4.38Å; L128-L130 HydrophobicContact CD2-CD2 4.11Å; L128-L130 HydrophobicContact CG-CD2 4.13Å |
| 129 | I | 93.8 | Very high | 89.6 | Confident | 87 Ų | 87 | 99.6 Ų | 99.6 | 45% | 0.446 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 114.6 | 179.3 | -53.7 | 179.4 | 0 | 0 | 0 | 108.2 | P127 K131 | P127-I129 HydrophobicContact CG-CG1 4.45Å; I129-K131 HydrophobicContact CG2-CG 4.07Å |
| 130 | L | 91.6 | Very high | 89.3 | Confident | 52 Ų | 52 | 96.4 Ų | 96.4 | 27% | 0.272 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 122.9 | 171 | -60.4 | -173.6 | 0 | 0 | 0 | 108.7 | L91 N95 V96 Y98 L128 | L91-L130 HydrophobicContact CD1-CB 4.29Å; L91-L130 HydrophobicContact CD1-CD1 4.42Å; N95-L130 WeakPolarHBondContact CA-O 3.49Å; V96-L130 PolarHBondContact N-O 2.9Å; V96-L130 PolarHBondContact O-N 3.39Å; Y98-L130 HydrophobicContact CD2-CD1 3.9Å; Y98-L130 HydrophobicContact CD2-CG 4.08Å; Y98-L130 HydrophobicContact CE2-CD1 3.68Å; Y98-L130 HydrophobicContact CE2-CG 4.2Å; L128-L130 HydrophobicContact CD2-CD2 4.11Å; L128-L130 HydrophobicContact CG-CD2 4.13Å |
| 131 | K | 88.6 | Confident | 89.1 | Confident | 155 Ų | 155 | 95.9 Ų | 95.9 | 67% | 0.674 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122.4 | 177.9 | -54.6 | -161.3 | 173.9 | 174.4 | 0 | 109.4 | T94 N95 I129 K133 | T94-K131 VanDerWaalsContact O-CA 3.31Å; T94-K131 WeakPolarHBondContact O-CA 3.36Å; N95-K131 VanDerWaalsContact OD1-CD 3.31Å; N95-K131 WeakPolarHBondContact OD1-CD 3.49Å; N95-K131 WeakPolarHBondContact OD1-CG 3.27Å; I129-K131 HydrophobicContact CG2-CG 4.07Å; K131-K133 PolarHBondContact O-N 2.99Å |
| 132 | K | 83.7 | Confident | 89 | Confident | 98 Ų | 98 | 97.1 Ų | 97.1 | 43% | 0.426 | 52% | 0.52 | S | S | . | . | trans | -75.3 | 114.6 | 172.2 | -170.3 | 167.9 | -175.5 | 165.1 | 0 | 108 | E89 T94 I134 | E89-K132 PolarHBondContact O-NZ 3.09Å; T94-K132 PolarHBondContact O-N 3.31Å; K132-I134 PolarHBondContact O-N 2.9Å | ||
| 133 | K | 78.7 | Confident | 88.8 | Confident | 171 Ų | 171 | 99 Ų | 99 | 74% | 0.743 | 50% | 0.503 | S | S | * | . | trans | -74.7 | 110.8 | 172.6 | -169.7 | -179.5 | -177.3 | -173.5 | 0 | 107.6 | K131 L135 | K131-K133 PolarHBondContact O-N 2.99Å; K133-L135 HydrophobicContact CD-CD2 4.1Å; K133-L135 HydrophobicContact CG-CD2 4.45Å | ||
| 134 | I | 72.9 | Confident | 88.3 | Confident | 132 Ų | 132 | 101.8 Ų | 101.8 | 68% | 0.677 | 52% | 0.515 | S | S | * | . | trans | -82.5 | 114.5 | 167.7 | -55.4 | 175.6 | 0 | 0 | 0 | 105.1 | T94 K132 | T94-I134 HydrophobicContact CG2-CD1 3.95Å; K132-I134 PolarHBondContact O-N 2.9Å | ||
| 135 | L | 63.8 | Low | 87.5 | Confident | 205 Ų | 205 | 98 Ų | 98 | 100% | 1.073 | 49% | 0.492 | S | S | * | . | trans | -84.9 | 0 | 172 | -73.4 | 171.3 | 0 | 0 | 0 | 109.6 | K133 | K133-L135 HydrophobicContact CD-CD2 4.1Å; K133-L135 HydrophobicContact CG-CD2 4.45Å |
Retrieved 135 of 135 residues in 39.5 ms
(Link to these results)