| 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 | 83.1 | Confident | 89 | Confident | 197 Ų | 197 | 115.3 Ų | 115.3 | 97% | 0.97 | 56% | 0.564 | S | S | * | * | 0 | -40.9 | 0 | -60.2 | -48 | -141.4 | 0 | 0 | 113.6 | V4 F5 | M1-V4 PolarHBondContact O-N 2.77Å; M1-F5 PolarHBondContact O-N 3.01Å | |||
| 2 | W | 86.7 | Confident | 89.1 | Confident | 197 Ų | 197 | 117.1 Ų | 117.1 | 75% | 0.746 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -51.7 | -46.2 | 176.9 | -168.7 | -110 | 0 | 0 | 0 | 116.7 | V4 F5 W6 | W2-V4 VanDerWaalsContact C-N 3.27Å; W2-V4 PolarHBondContact O-N 3.43Å; W2-F5 PolarHBondContact O-N 3.15Å; W2-W6 PolarHBondContact O-N 3.43Å; W2-W6 VanDerWaalsContact O-N 3.14Å |
| 3 | P | 90.7 | Very high | 89.2 | Confident | 88 Ų | 88 | 110.6 Ų | 110.6 | 57% | 0.571 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.2 | -32.5 | 178.7 | 22.8 | -33.5 | 0 | 0 | 0 | 112.7 | W6 T7 | P3-W6 PolarHBondContact O-N 3.18Å; P3-T7 WeakPolarHBondContact O-CG2 3.47Å; P3-T7 PolarHBondContact O-N 3.15Å; P3-T7 PolarHBondContact O-OG1 3.36Å |
| 4 | V | 89.5 | Confident | 89.4 | Confident | 85 Ų | 85 | 108 Ų | 108 | 52% | 0.515 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.2 | -42.8 | 179.1 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | M1 W2 W6 T7 V8 | M1-V4 PolarHBondContact O-N 2.77Å; W2-V4 VanDerWaalsContact C-N 3.27Å; W2-V4 PolarHBondContact O-N 3.43Å; V4-W6 VanDerWaalsContact C-N 3.29Å; V4-W6 PolarHBondContact O-N 3.17Å; V4-T7 VanDerWaalsContact CA-OG1 3.31Å; V4-T7 WeakPolarHBondContact CA-OG1 3.31Å; V4-T7 PolarHBondContact O-N 3.36Å; V4-T7 PolarHBondContact O-OG1 3.12Å; V4-V8 VanDerWaalsContact O-CG2 3.31Å; V4-V8 WeakPolarHBondContact O-CG2 3.07Å; V4-V8 PolarHBondContact O-N 3.36Å |
| 5 | F | 90.4 | Very high | 89.6 | Confident | 123 Ų | 123 | 112.6 Ų | 112.6 | 54% | 0.539 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.5 | -45.1 | 173.5 | -179.3 | -100.8 | 0 | 0 | 0 | 111 | M1 W2 T7 V8 V9 | M1-F5 PolarHBondContact O-N 3.01Å; W2-F5 PolarHBondContact O-N 3.15Å; F5-T7 PolarHBondContact O-N 3.48Å; F5-V8 PolarHBondContact O-N 3Å; F5-V9 HydrophobicContact CD1-CG2 4.16Å; F5-V9 HydrophobicContact CE1-CG2 3.76Å; F5-V9 HydrophobicContact CE2-CG2 4.29Å; F5-V9 HydrophobicContact CZ-CG2 3.83Å; F5-V9 WeakPolarHBondContact O-CG2 3.38Å; F5-V9 PolarHBondContact O-N 3.28Å |
| 6 | W | 90.3 | Very high | 89.7 | Confident | 121 Ų | 121 | 111.5 Ų | 111.5 | 46% | 0.458 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.4 | -36.5 | 179.1 | -168.1 | -115 | 0 | 0 | 0 | 113.5 | W2 P3 V4 R10 | W2-W6 PolarHBondContact O-N 3.43Å; W2-W6 VanDerWaalsContact O-N 3.14Å; P3-W6 PolarHBondContact O-N 3.18Å; V4-W6 VanDerWaalsContact C-N 3.29Å; V4-W6 PolarHBondContact O-N 3.17Å; W6-R10 VanDerWaalsContact CD1-NH1 3.31Å; W6-R10 VanDerWaalsContact NE1-NH2 3.15Å; W6-R10 WeakPolarHBondContact O-CB 3.45Å; W6-R10 PolarHBondContact O-N 2.79Å |
| 7 | T | 89.5 | Confident | 89.9 | Confident | 76 Ų | 76 | 109.9 Ų | 109.9 | 47% | 0.466 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 172.9 | 50.1 | 0 | 0 | 0 | 0 | 111.3 | P3 V4 F5 R10 T11 | P3-T7 WeakPolarHBondContact O-CG2 3.47Å; P3-T7 PolarHBondContact O-N 3.15Å; P3-T7 PolarHBondContact O-OG1 3.36Å; V4-T7 VanDerWaalsContact CA-OG1 3.31Å; V4-T7 WeakPolarHBondContact CA-OG1 3.31Å; V4-T7 PolarHBondContact O-N 3.36Å; V4-T7 PolarHBondContact O-OG1 3.12Å; F5-T7 PolarHBondContact O-N 3.48Å; T7-R10 PolarHBondContact O-N 3.28Å; T7-T11 WeakPolarHBondContact O-CB 3.34Å; T7-T11 PolarHBondContact O-N 3.36Å; T7-T11 PolarHBondContact O-OG1 3.43Å |
| 8 | V | 89.7 | Confident | 90.2 | Very high | 70 Ų | 70 | 111.8 Ų | 111.8 | 42% | 0.424 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.2 | -48.2 | 178.1 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | V4 F5 R10 T11 Y12 | V4-V8 VanDerWaalsContact O-CG2 3.31Å; V4-V8 WeakPolarHBondContact O-CG2 3.07Å; V4-V8 PolarHBondContact O-N 3.36Å; F5-V8 PolarHBondContact O-N 3Å; V8-R10 VanDerWaalsContact C-N 3.29Å; V8-R10 PolarHBondContact O-N 2.88Å; V8-T11 PolarHBondContact O-N 3.22Å; V8-Y12 HydrophobicContact CG1-CD2 3.71Å; V8-Y12 HydrophobicContact CG1-CE2 4.04Å; V8-Y12 VanDerWaalsContact O-CD2 3.29Å; V8-Y12 WeakPolarHBondContact O-CD2 3.47Å; V8-Y12 PolarHBondContact O-N 2.96Å |
| 9 | V | 90.1 | Very high | 90.5 | Very high | 58 Ų | 58 | 109.3 Ų | 109.3 | 35% | 0.352 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57.3 | -43.7 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | F5 A13 | F5-V9 HydrophobicContact CD1-CG2 4.16Å; F5-V9 HydrophobicContact CE1-CG2 3.76Å; F5-V9 HydrophobicContact CE2-CG2 4.29Å; F5-V9 HydrophobicContact CZ-CG2 3.83Å; F5-V9 WeakPolarHBondContact O-CG2 3.38Å; F5-V9 PolarHBondContact O-N 3.28Å; V9-A13 VanDerWaalsContact O-CA 3.26Å; V9-A13 WeakPolarHBondContact O-CA 3.36Å; V9-A13 WeakPolarHBondContact O-CB 3.37Å; V9-A13 PolarHBondContact O-N 2.85Å |
| 10 | R | 88.8 | Confident | 90.8 | Very high | 165 Ų | 165 | 108.2 Ų | 108.2 | 62% | 0.623 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66 | -39.9 | 176.5 | -81.7 | -175.5 | 168.9 | 147.8 | -1.1 | 113.8 | W6 T7 V8 P14 | W6-R10 VanDerWaalsContact CD1-NH1 3.31Å; W6-R10 VanDerWaalsContact NE1-NH2 3.15Å; W6-R10 WeakPolarHBondContact O-CB 3.45Å; W6-R10 PolarHBondContact O-N 2.79Å; T7-R10 PolarHBondContact O-N 3.28Å; V8-R10 VanDerWaalsContact C-N 3.29Å; V8-R10 PolarHBondContact O-N 2.88Å; R10-P14 WeakPolarHBondContact O-CD 3.07Å |
| 11 | T | 89.7 | Confident | 91.1 | Very high | 88 Ų | 88 | 106 Ų | 106 | 54% | 0.54 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.3 | -39.8 | 179.8 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | T7 V8 | T7-T11 WeakPolarHBondContact O-CB 3.34Å; T7-T11 PolarHBondContact O-N 3.36Å; T7-T11 PolarHBondContact O-OG1 3.43Å; V8-T11 PolarHBondContact O-N 3.22Å |
| 12 | Y | 90.4 | Very high | 91.7 | Very high | 137 Ų | 137 | 103.1 Ų | 103.1 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -95.2 | -10.9 | -178.3 | -67 | -74.1 | 0 | 0 | 0 | 114.3 | V8 Y15 V16 | V8-Y12 HydrophobicContact CG1-CD2 3.71Å; V8-Y12 HydrophobicContact CG1-CE2 4.04Å; V8-Y12 VanDerWaalsContact O-CD2 3.29Å; V8-Y12 WeakPolarHBondContact O-CD2 3.47Å; V8-Y12 PolarHBondContact O-N 2.96Å; Y12-Y15 HydrophobicContact CD1-CD2 4.21Å; Y12-Y15 WeakPolarHBondContact O-CB 3.44Å; Y12-Y15 PolarHBondContact O-N 3.32Å; Y12-V16 PolarHBondContact O-N 3.37Å |
| 13 | A | 90.1 | Very high | 92.2 | Very high | 33 Ų | 33 | 97.9 Ų | 97.9 | 27% | 0.273 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -50.6 | -51.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V9 Y15 V16 T17 | V9-A13 VanDerWaalsContact O-CA 3.26Å; V9-A13 WeakPolarHBondContact O-CA 3.36Å; V9-A13 WeakPolarHBondContact O-CB 3.37Å; V9-A13 PolarHBondContact O-N 2.85Å; A13-Y15 VanDerWaalsContact C-N 3.26Å; A13-Y15 PolarHBondContact O-N 3.3Å; A13-V16 PolarHBondContact O-N 2.8Å; A13-T17 WeakPolarHBondContact O-CB 3.48Å; A13-T17 WeakPolarHBondContact O-CG2 3.47Å; A13-T17 PolarHBondContact O-N 2.86Å; A13-T17 PolarHBondContact O-OG1 2.69Å |
| 14 | P | 92.6 | Very high | 92.5 | Very high | 74 Ų | 74 | 98.4 Ų | 98.4 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.6 | -36.5 | 179.8 | -24.4 | 34.9 | 0 | 0 | 0 | 113.4 | R10 V16 F18 | R10-P14 WeakPolarHBondContact O-CD 3.07Å; P14-V16 VanDerWaalsContact C-N 3.25Å; P14-V16 PolarHBondContact O-N 3.36Å; P14-F18 WeakPolarHBondContact O-CB 3.08Å; P14-F18 PolarHBondContact O-N 2.91Å |
| 15 | Y | 92.6 | Very high | 92.9 | Very high | 177 Ų | 177 | 96.3 Ų | 96.3 | 69% | 0.694 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.5 | -23.5 | -180 | -66 | -81.8 | 0 | 0 | 0 | 113.3 | Y12 A13 P19 | Y12-Y15 HydrophobicContact CD1-CD2 4.21Å; Y12-Y15 WeakPolarHBondContact O-CB 3.44Å; Y12-Y15 PolarHBondContact O-N 3.32Å; A13-Y15 VanDerWaalsContact C-N 3.26Å; A13-Y15 PolarHBondContact O-N 3.3Å; Y15-P19 WeakPolarHBondContact O-CD 3.45Å; Y15-P19 WeakPolarHBondContact O-CG 3.38Å |
| 16 | V | 90.5 | Very high | 93.2 | Very high | 95 Ų | 95 | 92.1 Ų | 92.1 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -97.4 | -45.3 | 177.5 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | Y12 A13 P14 P19 V20 | Y12-V16 PolarHBondContact O-N 3.37Å; A13-V16 PolarHBondContact O-N 2.8Å; P14-V16 VanDerWaalsContact C-N 3.25Å; P14-V16 PolarHBondContact O-N 3.36Å; V16-P19 WeakPolarHBondContact O-CD 3.3Å; V16-V20 WeakPolarHBondContact O-CG2 3.33Å; V16-V20 PolarHBondContact O-N 3.12Å |
| 17 | T | 93.3 | Very high | 93.5 | Very high | 84 Ų | 84 | 90.8 Ų | 90.8 | 52% | 0.515 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -72.8 | -35.8 | -175.9 | 61.4 | 0 | 0 | 0 | 0 | 112.2 | A13 V20 A21 | A13-T17 WeakPolarHBondContact O-CB 3.48Å; A13-T17 WeakPolarHBondContact O-CG2 3.47Å; A13-T17 PolarHBondContact O-N 2.86Å; A13-T17 PolarHBondContact O-OG1 2.69Å; T17-V20 PolarHBondContact O-N 3.31Å; T17-A21 WeakPolarHBondContact O-CB 3.13Å; T17-A21 PolarHBondContact O-N 3.47Å |
| 18 | F | 94.9 | Very high | 93.7 | Very high | 144 Ų | 144 | 88.8 Ų | 88.8 | 63% | 0.632 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.4 | -50.5 | -179.6 | 176.3 | -97.2 | 0 | 0 | 0 | 112.4 | P14 V20 A21 F22 | P14-F18 WeakPolarHBondContact O-CB 3.08Å; P14-F18 PolarHBondContact O-N 2.91Å; F18-V20 VanDerWaalsContact C-N 3.31Å; F18-V20 PolarHBondContact O-N 3.03Å; F18-A21 PolarHBondContact O-N 3.47Å; F18-F22 VanDerWaalsContact O-CB 3.26Å; F18-F22 WeakPolarHBondContact O-CB 3.09Å; F18-F22 PolarHBondContact O-N 3.1Å |
| 19 | P | 96.6 | Very high | 93.8 | Very high | 65 Ų | 65 | 92.2 Ų | 92.2 | 42% | 0.422 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 175.5 | -25.8 | 36.2 | 0 | 0 | 0 | 112.7 | Y15 V16 F22 V23 | Y15-P19 WeakPolarHBondContact O-CD 3.45Å; Y15-P19 WeakPolarHBondContact O-CG 3.38Å; V16-P19 WeakPolarHBondContact O-CD 3.3Å; P19-F22 PolarHBondContact O-N 3.37Å; P19-V23 VanDerWaalsContact O-CG2 3.27Å; P19-V23 WeakPolarHBondContact O-CG2 3.49Å; P19-V23 PolarHBondContact O-N 2.9Å |
| 20 | V | 96.4 | Very high | 93.9 | Very high | 87 Ų | 87 | 95.1 Ų | 95.1 | 53% | 0.527 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -48.6 | 177.7 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | V16 T17 F18 F22 V23 V24 | V16-V20 WeakPolarHBondContact O-CG2 3.33Å; V16-V20 PolarHBondContact O-N 3.12Å; T17-V20 PolarHBondContact O-N 3.31Å; F18-V20 VanDerWaalsContact C-N 3.31Å; F18-V20 PolarHBondContact O-N 3.03Å; V20-F22 VanDerWaalsContact C-N 3.33Å; V20-F22 PolarHBondContact O-N 2.78Å; V20-V23 PolarHBondContact O-N 3.3Å; V20-V24 HydrophobicContact CG1-CG2 4.43Å; V20-V24 WeakPolarHBondContact O-CB 3.32Å; V20-V24 VanDerWaalsContact O-CG2 3.27Å; V20-V24 WeakPolarHBondContact O-CG2 3.19Å; V20-V24 PolarHBondContact O-N 3.13Å |
| 21 | A | 96.5 | Very high | 94 | Very high | 62 Ų | 62 | 92.2 Ų | 92.2 | 51% | 0.512 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.9 | -38.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | T17 F18 V24 G25 | T17-A21 WeakPolarHBondContact O-CB 3.13Å; T17-A21 PolarHBondContact O-N 3.47Å; F18-A21 PolarHBondContact O-N 3.47Å; A21-V24 PolarHBondContact O-N 3.19Å; A21-G25 PolarHBondContact O-N 3.38Å |
| 22 | F | 97.4 | Very high | 94 | Very high | 137 Ų | 137 | 92.5 Ų | 92.5 | 60% | 0.601 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.1 | -45.6 | 175.9 | -178.3 | -96.4 | 0 | 0 | 0 | 111.4 | F18 P19 V20 G25 A26 | F18-F22 VanDerWaalsContact O-CB 3.26Å; F18-F22 WeakPolarHBondContact O-CB 3.09Å; F18-F22 PolarHBondContact O-N 3.1Å; P19-F22 PolarHBondContact O-N 3.37Å; V20-F22 VanDerWaalsContact C-N 3.33Å; V20-F22 PolarHBondContact O-N 2.78Å; F22-G25 PolarHBondContact O-N 3.08Å; F22-A26 VanDerWaalsContact O-CB 3.28Å; F22-A26 WeakPolarHBondContact O-CB 3.41Å; F22-A26 PolarHBondContact O-N 3.37Å |
| 23 | V | 97.3 | Very high | 93.7 | Very high | 87 Ų | 87 | 93.3 Ų | 93.3 | 53% | 0.527 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 176.7 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | P19 V20 G25 A26 V27 | P19-V23 VanDerWaalsContact O-CG2 3.27Å; P19-V23 WeakPolarHBondContact O-CG2 3.49Å; P19-V23 PolarHBondContact O-N 2.9Å; V20-V23 PolarHBondContact O-N 3.3Å; V23-G25 VanDerWaalsContact C-N 3.32Å; V23-G25 PolarHBondContact O-N 3.11Å; V23-A26 PolarHBondContact O-N 3.02Å; V23-V27 HydrophobicContact CG1-CG2 4.39Å; V23-V27 WeakPolarHBondContact O-CB 3.37Å; V23-V27 VanDerWaalsContact O-CG2 3.27Å; V23-V27 WeakPolarHBondContact O-CG2 3.44Å; V23-V27 PolarHBondContact O-N 3.24Å |
| 24 | V | 97.1 | Very high | 93.6 | Very high | 98 Ų | 98 | 99.5 Ų | 99.5 | 59% | 0.594 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.1 | -42.7 | 177.6 | 172.3 | 0 | 0 | 0 | 0 | 111 | V20 A21 G28 | V20-V24 HydrophobicContact CG1-CG2 4.43Å; V20-V24 WeakPolarHBondContact O-CB 3.32Å; V20-V24 VanDerWaalsContact O-CG2 3.27Å; V20-V24 WeakPolarHBondContact O-CG2 3.19Å; V20-V24 PolarHBondContact O-N 3.13Å; A21-V24 PolarHBondContact O-N 3.19Å; V24-G28 PolarHBondContact O-N 3.21Å |
| 25 | G | 96.8 | Very high | 93.4 | Very high | 42 Ų | 42 | 102.1 Ų | 102.1 | 43% | 0.433 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A21 F22 V23 G28 Y29 | A21-G25 PolarHBondContact O-N 3.38Å; F22-G25 PolarHBondContact O-N 3.08Å; V23-G25 VanDerWaalsContact C-N 3.32Å; V23-G25 PolarHBondContact O-N 3.11Å; G25-G28 PolarHBondContact O-N 2.97Å; G25-Y29 VanDerWaalsContact O-CB 3.26Å; G25-Y29 WeakPolarHBondContact O-CB 3.19Å; G25-Y29 PolarHBondContact O-N 3.04Å |
| 26 | A | 96.4 | Very high | 92.6 | Very high | 35 Ų | 35 | 98.4 Ų | 98.4 | 29% | 0.289 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F22 V23 G28 Y29 H30 | F22-A26 VanDerWaalsContact O-CB 3.28Å; F22-A26 WeakPolarHBondContact O-CB 3.41Å; F22-A26 PolarHBondContact O-N 3.37Å; V23-A26 PolarHBondContact O-N 3.02Å; A26-G28 PolarHBondContact O-N 3.08Å; A26-Y29 PolarHBondContact O-N 2.83Å; A26-H30 PolarHBondContact O-CD2 2.79Å; A26-H30 PolarHBondContact O-N 3.35Å |
| 27 | V | 96.2 | Very high | 91.7 | Very high | 92 Ų | 92 | 95.4 Ų | 95.4 | 56% | 0.558 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.8 | -44.6 | 175.7 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | V23 H30 L31 | V23-V27 HydrophobicContact CG1-CG2 4.39Å; V23-V27 WeakPolarHBondContact O-CB 3.37Å; V23-V27 VanDerWaalsContact O-CG2 3.27Å; V23-V27 WeakPolarHBondContact O-CG2 3.44Å; V23-V27 PolarHBondContact O-N 3.24Å; V27-H30 PolarHBondContact O-N 3.05Å; V27-L31 WeakPolarHBondContact O-CB 3.49Å; V27-L31 PolarHBondContact O-N 2.9Å |
| 28 | G | 95.2 | Very high | 90.4 | Very high | 34 Ų | 34 | 100.8 Ų | 100.8 | 35% | 0.351 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V24 G25 A26 L31 E32 | V24-G28 PolarHBondContact O-N 3.21Å; G25-G28 PolarHBondContact O-N 2.97Å; A26-G28 PolarHBondContact O-N 3.08Å; G28-L31 PolarHBondContact O-N 2.63Å; G28-E32 VanDerWaalsContact O-CB 3.31Å; G28-E32 WeakPolarHBondContact O-CB 3.39Å; G28-E32 PolarHBondContact O-N 3.4Å |
| 29 | Y | 91.1 | Very high | 88.7 | Confident | 142 Ų | 142 | 99.8 Ų | 99.8 | 56% | 0.557 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.1 | -43.1 | 177 | 179.8 | -98.4 | 0 | 0 | 0 | 112.1 | G25 A26 E32 W33 | G25-Y29 VanDerWaalsContact O-CB 3.26Å; G25-Y29 WeakPolarHBondContact O-CB 3.19Å; G25-Y29 PolarHBondContact O-N 3.04Å; A26-Y29 PolarHBondContact O-N 2.83Å; Y29-E32 PolarHBondContact O-N 3.18Å; Y29-W33 VanDerWaalsContact O-CB 3.26Å; Y29-W33 WeakPolarHBondContact O-CB 3.47Å; Y29-W33 PolarHBondContact O-N 3.19Å |
| 30 | H | 91.7 | Very high | 86.8 | Confident | 120 Ų | 120 | 101.5 Ų | 101.5 | 56% | 0.556 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.5 | -39.8 | 176.7 | -78.5 | -62.2 | 0 | 0 | 0 | 112.5 | A26 V27 W33 F34 | A26-H30 PolarHBondContact O-CD2 2.79Å; A26-H30 PolarHBondContact O-N 3.35Å; V27-H30 PolarHBondContact O-N 3.05Å; H30-W33 PolarHBondContact O-N 2.93Å; H30-F34 WeakPolarHBondContact O-CB 2.78Å; H30-F34 PolarHBondContact O-N 2.58Å |
| 31 | L | 92.5 | Very high | 84.8 | Confident | 104 Ų | 104 | 103.6 Ų | 103.6 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 175.8 | -173.2 | 70 | 0 | 0 | 0 | 111.1 | V27 G28 F34 I35 | V27-L31 WeakPolarHBondContact O-CB 3.49Å; V27-L31 PolarHBondContact O-N 2.9Å; G28-L31 PolarHBondContact O-N 2.63Å; L31-F34 PolarHBondContact O-N 3.36Å; L31-I35 HydrophobicContact CD1-CD1 4.17Å; L31-I35 HydrophobicContact CD2-CD1 4.42Å; L31-I35 HydrophobicContact CG-CD1 3.84Å; L31-I35 VanDerWaalsContact O-CG1 3.31Å; L31-I35 WeakPolarHBondContact O-CG1 3.24Å; L31-I35 PolarHBondContact O-N 2.79Å |
| 32 | E | 87.6 | Confident | 82.6 | Confident | 93 Ų | 93 | 105.1 Ų | 105.1 | 44% | 0.435 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 174.7 | -174 | -175 | 169.1 | 0 | 0 | 110.6 | G28 Y29 F34 I35 R36 | G28-E32 VanDerWaalsContact O-CB 3.31Å; G28-E32 WeakPolarHBondContact O-CB 3.39Å; G28-E32 PolarHBondContact O-N 3.4Å; Y29-E32 PolarHBondContact O-N 3.18Å; E32-F34 VanDerWaalsContact C-N 3.29Å; E32-F34 PolarHBondContact O-N 3.02Å; E32-I35 PolarHBondContact O-N 2.85Å; E32-R36 WeakPolarHBondContact O-CA 3.44Å; E32-R36 WeakPolarHBondContact O-CB 3.5Å; E32-R36 PolarHBondContact O-N 2.59Å; E32-R36 IonicContact OE1-CZ 3.65Å; E32-R36 IonicContact OE1-NE 3.54Å; E32-R36 IonicContact OE1-NH1 3.15Å; E32-R36 PolarHBondContact OE1-NH1 3.23Å; E32-R36 IonicContact OE1-NH2 2.63Å |
| 33 | W | 86.1 | Confident | 80.4 | Confident | 155 Ų | 155 | 104.7 Ų | 104.7 | 59% | 0.587 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.1 | -37.9 | 177.1 | -176.5 | 77.5 | 0 | 0 | 0 | 112.4 | Y29 H30 G37 | Y29-W33 VanDerWaalsContact O-CB 3.26Å; Y29-W33 WeakPolarHBondContact O-CB 3.47Å; Y29-W33 PolarHBondContact O-N 3.19Å; H30-W33 PolarHBondContact O-N 2.93Å; W33-G37 PolarHBondContact O-N 2.81Å |
| 34 | F | 88 | Confident | 78.2 | Confident | 163 Ų | 163 | 106.2 Ų | 106.2 | 72% | 0.715 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.5 | -42.6 | 177 | -168.8 | -95.4 | 0 | 0 | 0 | 112.5 | H30 L31 E32 | H30-F34 WeakPolarHBondContact O-CB 2.78Å; H30-F34 PolarHBondContact O-N 2.58Å; L31-F34 PolarHBondContact O-N 3.36Å; E32-F34 VanDerWaalsContact C-N 3.29Å; E32-F34 PolarHBondContact O-N 3.02Å |
| 35 | I | 86.9 | Confident | 76.3 | Confident | 129 Ų | 129 | 109.2 Ų | 109.2 | 66% | 0.662 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -75.5 | -44.3 | -179.5 | -64.3 | 167.8 | 0 | 0 | 0 | 111.6 | L31 E32 G37 | L31-I35 HydrophobicContact CD1-CD1 4.17Å; L31-I35 HydrophobicContact CD2-CD1 4.42Å; L31-I35 HydrophobicContact CG-CD1 3.84Å; L31-I35 VanDerWaalsContact O-CG1 3.31Å; L31-I35 WeakPolarHBondContact O-CG1 3.24Å; L31-I35 PolarHBondContact O-N 2.79Å; E32-I35 PolarHBondContact O-N 2.85Å; I35-G37 PolarHBondContact O-N 2.97Å |
| 36 | R | 75.7 | Confident | 74.4 | Confident | 99 Ų | 99 | 115.4 Ų | 115.4 | 37% | 0.374 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.6 | -23.3 | 175.7 | -175.2 | 150.7 | 66.5 | -174.4 | 8.1 | 111.1 | E32 | E32-R36 WeakPolarHBondContact O-CA 3.44Å; E32-R36 WeakPolarHBondContact O-CB 3.5Å; E32-R36 PolarHBondContact O-N 2.59Å; E32-R36 IonicContact OE1-CZ 3.65Å; E32-R36 IonicContact OE1-NE 3.54Å; E32-R36 IonicContact OE1-NH1 3.15Å; E32-R36 PolarHBondContact OE1-NH1 3.23Å; E32-R36 IonicContact OE1-NH2 2.63Å |
| 37 | G | 72.5 | Confident | 72.8 | Confident | 31 Ų | 31 | 117.3 Ų | 117.3 | 32% | 0.32 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 66.1 | -176.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | W33 I35 D39 | W33-G37 PolarHBondContact O-N 2.81Å; I35-G37 PolarHBondContact O-N 2.97Å; G37-D39 PolarHBondContact O-N 2.78Å |
| 38 | K | 66.4 | Low | 71.9 | Confident | 198 Ų | 198 | 114.9 Ų | 114.9 | 86% | 0.861 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 19.5 | 172.2 | 58.6 | 161 | 71 | 161.7 | 0 | 112.9 | P40 | K38-P40 VanDerWaalsContact C-N 3.34Å; K38-P40 WeakPolarHBondContact O-CD 3.39Å |
| 39 | D | 58.1 | Low | 71.2 | Confident | 123 Ų | 123 | 119 Ų | 119 | 66% | 0.658 | 58% | 0.583 | S | S | * | * | trans | -79.5 | 93 | 159.3 | -76.2 | -58.2 | 0 | 0 | 0 | 104.3 | G37 Q41 | G37-D39 PolarHBondContact O-N 2.78Å; D39-Q41 VanDerWaalsContact C-N 3.35Å; D39-Q41 PolarHBondContact O-N 2.73Å | ||
| 40 | P | 56 | Low | 70.8 | Confident | 101 Ų | 101 | 115.3 Ų | 115.3 | 66% | 0.656 | 58% | 0.579 | S | S | * | * | trans | -51.4 | 121.8 | 154.9 | 28.5 | -32.3 | 0 | 0 | 0 | 102.7 | K38 P42 | K38-P40 VanDerWaalsContact C-N 3.34Å; K38-P40 WeakPolarHBondContact O-CD 3.39Å; P40-P42 VanDerWaalsContact C-N 3.31Å; P40-P42 VanDerWaalsContact O-CD 3.24Å; P40-P42 WeakPolarHBondContact O-CD 3.5Å | ||
| 41 | Q | 54.3 | Low | 70.5 | Confident | 131 Ų | 131 | 113.7 Ų | 113.7 | 61% | 0.612 | 57% | 0.572 | S | S | * | * | trans | -40.5 | 121.2 | 140.2 | -95 | 179.8 | -17.1 | 0 | 0 | 103.3 | D39 V43 | D39-Q41 VanDerWaalsContact C-N 3.35Å; D39-Q41 PolarHBondContact O-N 2.73Å; Q41-V43 PolarHBondContact O-N 2.87Å | ||
| 42 | P | 50.7 | Low | 70 | Confident | 94 Ų | 94 | 115 Ų | 115 | 61% | 0.61 | 57% | 0.569 | S | S | * | * | trans | -60 | 96.8 | 170.1 | -2.9 | 14.2 | 0 | 0 | 0 | 103.1 | P40 E44 | P40-P42 VanDerWaalsContact C-N 3.31Å; P40-P42 VanDerWaalsContact O-CD 3.24Å; P40-P42 WeakPolarHBondContact O-CD 3.5Å; P42-E44 HydrophobicContact CB-CB 3.83Å; P42-E44 HydrophobicContact CB-CG 3.58Å; P42-E44 PolarHBondContact O-N 2.79Å | ||
| 43 | V | 51.9 | Low | 70 | Confident | 127 Ų | 127 | 117.6 Ų | 117.6 | 77% | 0.77 | 58% | 0.575 | S | S | * | * | -60.8 | 55.6 | 122.9 | -159.6 | 0 | 0 | 0 | 0 | 105.2 | Q41 E45 | Q41-V43 PolarHBondContact O-N 2.87Å; V43-E45 PolarHBondContact O-N 3.32Å | |||
| 44 | E | 52 | Low | 70.1 | Confident | 120 Ų | 120 | 115.7 Ų | 115.7 | 56% | 0.561 | 57% | 0.573 | S | S | * | * | -48.1 | 86.6 | 125.2 | -82.3 | -177.1 | -170.2 | 0 | 0 | 102 | P42 E46 | P42-E44 HydrophobicContact CB-CB 3.83Å; P42-E44 HydrophobicContact CB-CG 3.58Å; P42-E44 PolarHBondContact O-N 2.79Å; E44-E46 WeakPolarHBondContact O-CA 3.29Å; E44-E46 PolarHBondContact O-N 2.93Å | |||
| 45 | E | 55.4 | Low | 70.2 | Confident | 160 Ų | 160 | 110.6 Ų | 110.6 | 75% | 0.748 | 55% | 0.553 | S | S | * | * | -3.5 | 97 | 126.1 | -64.4 | 177.8 | 168.8 | 0 | 0 | 106 | V43 K47 | V43-E45 PolarHBondContact O-N 3.32Å; E45-K47 WeakPolarHBondContact O-CA 3.31Å; E45-K47 PolarHBondContact O-N 3.26Å | |||
| 46 | E | 57.3 | Low | 70.2 | Confident | 172 Ų | 172 | 111.7 Ų | 111.7 | 80% | 0.804 | 55% | 0.549 | S | S | * | . | trans | -50.1 | 99.1 | -171.1 | -65.2 | 176.5 | 150.5 | 0 | 0 | 105.3 | E44 S48 | E44-E46 WeakPolarHBondContact O-CA 3.29Å; E44-E46 PolarHBondContact O-N 2.93Å; E46-S48 PolarHBondContact O-N 2.85Å | ||
| 47 | K | 64.2 | Low | 70.8 | Confident | 76 Ų | 76 | 113.2 Ų | 113.2 | 33% | 0.33 | 56% | 0.558 | S | S | . | * | trans | -51.8 | 118.8 | -177.7 | -87.1 | -171.1 | 174.1 | -179 | 0 | 103.2 | E45 I49 E51 R52 D55 | E45-K47 WeakPolarHBondContact O-CA 3.31Å; E45-K47 PolarHBondContact O-N 3.26Å; K47-I49 PolarHBondContact O-N 2.94Å; K47-E51 WeakPolarHBondContact CA-OE2 3.02Å; K47-E51 HydrophobicContact CB-CB 3.94Å; K47-E51 HydrophobicContact CD-CB 4.45Å; K47-E51 HydrophobicContact CG-CB 4.26Å; K47-R52 HydrophobicContact CB-CG 3.61Å; K47-R52 PolarHBondContact O-NH1 2.95Å; K47-D55 WeakPolarHBondContact CD-OD2 3.41Å; K47-D55 WeakPolarHBondContact CE-OD2 3.26Å; K47-D55 IonicContact NZ-OD1 3.86Å; K47-D55 IonicContact NZ-OD2 3.95Å; K47-D55 PolarHBondContact NZ-OD2 2.75Å | ||
| 48 | S | 76.8 | Confident | 71.5 | Confident | 40 Ų | 40 | 116.4 Ų | 116.4 | 28% | 0.28 | 57% | 0.567 | S | S | . | * | trans | -50.3 | 146.6 | -174.8 | 58.9 | 0 | 0 | 0 | 0 | 106.3 | E46 S50 E51 R52 | E46-S48 PolarHBondContact O-N 2.85Å; S48-S50 VanDerWaalsContact CB-OG 3.29Å; S48-S50 WeakPolarHBondContact CB-OG 3.34Å; S48-S50 CarbonylContact O-C 3.46Å; S48-S50 PolarHBondContact O-N 3.44Å; S48-S50 PolarHBondContact OG-OG 3.38Å; S48-E51 PolarHBondContact O-N 2.82Å; S48-E51 VanDerWaalsContact OG-CD 3.3Å; S48-E51 WeakPolarHBondContact OG-CG 3.31Å; S48-E51 PolarHBondContact OG-N 3.49Å; S48-E51 PolarHBondContact OG-OE1 2.7Å; S48-R52 PolarHBondContact O-N 2.91Å | ||
| 49 | I | 79.2 | Confident | 72.5 | Confident | 120 Ų | 120 | 112.3 Ų | 112.3 | 62% | 0.615 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -51.7 | -28.1 | -178.7 | -63.7 | 174.2 | 0 | 0 | 0 | 110.4 | K47 R53 | K47-I49 PolarHBondContact O-N 2.94Å; I49-R53 WeakPolarHBondContact O-CD 3.27Å; I49-R53 WeakPolarHBondContact O-CG 3.43Å; I49-R53 PolarHBondContact O-N 3.5Å |
| 50 | S | 83.9 | Confident | 73.8 | Confident | 66 Ų | 66 | 111.1 Ų | 111.1 | 46% | 0.462 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.2 | -58.8 | 165.6 | 27.6 | 0 | 0 | 0 | 0 | 114.4 | S48 R52 R53 E54 | S48-S50 VanDerWaalsContact CB-OG 3.29Å; S48-S50 WeakPolarHBondContact CB-OG 3.34Å; S48-S50 CarbonylContact O-C 3.46Å; S48-S50 PolarHBondContact O-N 3.44Å; S48-S50 PolarHBondContact OG-OG 3.38Å; S50-R52 VanDerWaalsContact C-N 3.32Å; S50-R52 PolarHBondContact O-N 3.39Å; S50-R53 CarbonylContact O-C 3.4Å; S50-R53 WeakPolarHBondContact O-CA 3.26Å; S50-R53 WeakPolarHBondContact O-CB 3.27Å; S50-R53 PolarHBondContact O-N 3.07Å; S50-E54 PolarHBondContact O-N 2.81Å |
| 51 | E | 84.2 | Confident | 74.9 | Confident | 86 Ų | 86 | 110.3 Ų | 110.3 | 40% | 0.402 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -56.3 | -44.4 | 179 | -79 | 156.7 | -123 | 0 | 0 | 111.9 | K47 S48 R53 E54 D55 | K47-E51 WeakPolarHBondContact CA-OE2 3.02Å; K47-E51 HydrophobicContact CB-CB 3.94Å; K47-E51 HydrophobicContact CD-CB 4.45Å; K47-E51 HydrophobicContact CG-CB 4.26Å; S48-E51 PolarHBondContact O-N 2.82Å; S48-E51 VanDerWaalsContact OG-CD 3.3Å; S48-E51 WeakPolarHBondContact OG-CG 3.31Å; S48-E51 PolarHBondContact OG-N 3.49Å; S48-E51 PolarHBondContact OG-OE1 2.7Å; E51-R53 PolarHBondContact O-N 3.36Å; E51-E54 PolarHBondContact O-N 3.36Å; E51-D55 PolarHBondContact O-N 2.85Å |
| 52 | R | 83.1 | Confident | 76.1 | Confident | 130 Ų | 130 | 111 Ų | 111 | 49% | 0.491 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.4 | -33.4 | 175.6 | -72 | -168.4 | 177.3 | 120.3 | -7.9 | 112.9 | K47 S48 S50 R56 | K47-R52 HydrophobicContact CB-CG 3.61Å; K47-R52 PolarHBondContact O-NH1 2.95Å; S48-R52 PolarHBondContact O-N 2.91Å; S50-R52 VanDerWaalsContact C-N 3.32Å; S50-R52 PolarHBondContact O-N 3.39Å; R52-R56 PolarHBondContact O-N 3.34Å |
| 53 | R | 88.3 | Confident | 77.3 | Confident | 148 Ų | 148 | 109.9 Ų | 109.9 | 56% | 0.558 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -74.3 | -34.8 | 175.5 | -74.6 | 171.6 | -172.6 | -136.7 | 5.2 | 111.7 | I49 S50 E51 K57 | I49-R53 WeakPolarHBondContact O-CD 3.27Å; I49-R53 WeakPolarHBondContact O-CG 3.43Å; I49-R53 PolarHBondContact O-N 3.5Å; S50-R53 CarbonylContact O-C 3.4Å; S50-R53 WeakPolarHBondContact O-CA 3.26Å; S50-R53 WeakPolarHBondContact O-CB 3.27Å; S50-R53 PolarHBondContact O-N 3.07Å; E51-R53 PolarHBondContact O-N 3.36Å; R53-K57 WeakPolarHBondContact O-CG 3.26Å; R53-K57 PolarHBondContact O-N 3.44Å |
| 54 | E | 88.2 | Confident | 78.3 | Confident | 116 Ų | 116 | 109.5 Ų | 109.5 | 54% | 0.542 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.4 | -45.5 | 175.9 | -71.1 | -178.9 | 178.9 | 0 | 0 | 110.8 | S50 E51 R56 K57 L58 | S50-E54 PolarHBondContact O-N 2.81Å; E51-E54 PolarHBondContact O-N 3.36Å; E54-R56 VanDerWaalsContact C-N 3.32Å; E54-R56 PolarHBondContact O-N 2.82Å; E54-K57 CarbonylContact O-C 3.59Å; E54-K57 WeakPolarHBondContact O-CA 3.28Å; E54-K57 WeakPolarHBondContact O-CB 3.27Å; E54-K57 PolarHBondContact O-N 3.4Å; E54-K57 VanDerWaalsContact O-N 3.08Å; E54-L58 WeakPolarHBondContact O-CG 3.12Å; E54-L58 PolarHBondContact O-N 2.8Å |
| 55 | D | 88.7 | Confident | 79.3 | Confident | 55 Ų | 55 | 109.8 Ų | 109.8 | 29% | 0.294 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -55.8 | -47.4 | 173 | -69.7 | -30.7 | 0 | 0 | 0 | 111.4 | K47 E51 K57 L58 D59 | K47-D55 WeakPolarHBondContact CD-OD2 3.41Å; K47-D55 WeakPolarHBondContact CE-OD2 3.26Å; K47-D55 IonicContact NZ-OD1 3.86Å; K47-D55 IonicContact NZ-OD2 3.95Å; K47-D55 PolarHBondContact NZ-OD2 2.75Å; E51-D55 PolarHBondContact O-N 2.85Å; D55-K57 VanDerWaalsContact C-N 3.31Å; D55-K57 PolarHBondContact O-N 3.4Å; D55-L58 WeakPolarHBondContact O-CB 3.49Å; D55-L58 PolarHBondContact O-N 2.9Å; D55-L58 VanDerWaalsContact O-N 3.08Å; D55-D59 PolarHBondContact O-N 3.48Å |
| 56 | R | 88.1 | Confident | 79.7 | Confident | 152 Ų | 152 | 107.3 Ų | 107.3 | 57% | 0.574 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.9 | -39.7 | 177.1 | -170.5 | 178.6 | 68.6 | -163.1 | -0.4 | 112.1 | R52 E54 L58 E60 | R52-R56 PolarHBondContact O-N 3.34Å; E54-R56 VanDerWaalsContact C-N 3.32Å; E54-R56 PolarHBondContact O-N 2.82Å; R56-L58 VanDerWaalsContact C-N 3.34Å; R56-E60 IonicContact NE-OE1 2.7Å; R56-E60 WeakPolarHBondContact O-CB 3.19Å; R56-E60 VanDerWaalsContact O-CG 3.3Å; R56-E60 WeakPolarHBondContact O-CG 3.03Å; R56-E60 PolarHBondContact O-N 2.96Å |
| 57 | K | 88.2 | Confident | 80.2 | Confident | 131 Ų | 131 | 105 Ų | 105 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.9 | -41.8 | 173.9 | -76.6 | 174.9 | -177.6 | 178.2 | 0 | 110.7 | R53 E54 D55 E60 L61 | R53-K57 WeakPolarHBondContact O-CG 3.26Å; R53-K57 PolarHBondContact O-N 3.44Å; E54-K57 CarbonylContact O-C 3.59Å; E54-K57 WeakPolarHBondContact O-CA 3.28Å; E54-K57 WeakPolarHBondContact O-CB 3.27Å; E54-K57 PolarHBondContact O-N 3.4Å; E54-K57 VanDerWaalsContact O-N 3.08Å; D55-K57 VanDerWaalsContact C-N 3.31Å; D55-K57 PolarHBondContact O-N 3.4Å; K57-E60 PolarHBondContact O-N 3.46Å; K57-L61 WeakPolarHBondContact O-CB 3.2Å; K57-L61 WeakPolarHBondContact O-CG 3.14Å; K57-L61 PolarHBondContact O-N 2.81Å |
| 58 | L | 87.4 | Confident | 80.3 | Confident | 99 Ų | 99 | 109.3 Ų | 109.3 | 52% | 0.518 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 178.6 | -71.6 | 170.8 | 0 | 0 | 0 | 111.5 | E54 D55 R56 E60 L61 L62 | E54-L58 WeakPolarHBondContact O-CG 3.12Å; E54-L58 PolarHBondContact O-N 2.8Å; D55-L58 WeakPolarHBondContact O-CB 3.49Å; D55-L58 PolarHBondContact O-N 2.9Å; D55-L58 VanDerWaalsContact O-N 3.08Å; R56-L58 VanDerWaalsContact C-N 3.34Å; L58-E60 VanDerWaalsContact C-N 3.34Å; L58-E60 PolarHBondContact O-N 3.41Å; L58-L61 HydrophobicContact CD2-CD1 4.49Å; L58-L61 CarbonylContact O-C 3.55Å; L58-L61 PolarHBondContact O-N 2.79Å; L58-L61 VanDerWaalsContact O-N 3.12Å; L58-L62 WeakPolarHBondContact O-CG 3.35Å; L58-L62 PolarHBondContact O-N 3.31Å |
| 59 | D | 86.9 | Confident | 79.8 | Confident | 111 Ų | 111 | 112.9 Ų | 112.9 | 59% | 0.594 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -59.5 | -44.7 | 173.4 | -74.2 | -17.8 | 0 | 0 | 0 | 111.7 | D55 L61 L62 G63 | D55-D59 PolarHBondContact O-N 3.48Å; D59-L61 VanDerWaalsContact C-N 3.26Å; D59-L61 PolarHBondContact O-N 2.92Å; D59-L62 PolarHBondContact O-N 3.33Å; D59-G63 PolarHBondContact O-N 3.46Å |
| 60 | E | 84.1 | Confident | 79.1 | Confident | 99 Ų | 99 | 111.6 Ų | 111.6 | 46% | 0.463 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.1 | -29.5 | 175.6 | -74.2 | 176.7 | -151.6 | 0 | 0 | 113.2 | R56 K57 L58 K64 | R56-E60 IonicContact NE-OE1 2.7Å; R56-E60 WeakPolarHBondContact O-CB 3.19Å; R56-E60 VanDerWaalsContact O-CG 3.3Å; R56-E60 WeakPolarHBondContact O-CG 3.03Å; R56-E60 PolarHBondContact O-N 2.96Å; K57-E60 PolarHBondContact O-N 3.46Å; L58-E60 VanDerWaalsContact C-N 3.34Å; L58-E60 PolarHBondContact O-N 3.41Å; E60-K64 WeakPolarHBondContact O-CD 3.49Å; E60-K64 WeakPolarHBondContact O-CG 3.41Å |
| 61 | L | 80.9 | Confident | 78.4 | Confident | 83 Ų | 83 | 111.1 Ų | 111.1 | 44% | 0.435 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -80.1 | -39 | 176.5 | -67.7 | 166.9 | 0 | 0 | 0 | 111.3 | K57 L58 D59 G63 K64 H66 | K57-L61 WeakPolarHBondContact O-CB 3.2Å; K57-L61 WeakPolarHBondContact O-CG 3.14Å; K57-L61 PolarHBondContact O-N 2.81Å; L58-L61 HydrophobicContact CD2-CD1 4.49Å; L58-L61 CarbonylContact O-C 3.55Å; L58-L61 PolarHBondContact O-N 2.79Å; L58-L61 VanDerWaalsContact O-N 3.12Å; D59-L61 VanDerWaalsContact C-N 3.26Å; D59-L61 PolarHBondContact O-N 2.92Å; L61-G63 PolarHBondContact O-N 3.37Å; L61-K64 PolarHBondContact O-N 3.38Å; L61-H66 WeakPolarHBondContact CD2-NE2 2.99Å |
| 62 | L | 79.2 | Confident | 77.4 | Confident | 146 Ų | 146 | 114.3 Ų | 114.3 | 76% | 0.764 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59.1 | -33.5 | 175.2 | -78.4 | 166.6 | 0 | 0 | 0 | 111.9 | L58 D59 K64 | L58-L62 WeakPolarHBondContact O-CG 3.35Å; L58-L62 PolarHBondContact O-N 3.31Å; D59-L62 PolarHBondContact O-N 3.33Å; L62-K64 VanDerWaalsContact C-N 3.31Å |
| 63 | G | 75.8 | Confident | 76.4 | Confident | 71 Ų | 71 | 116.6 Ų | 116.6 | 73% | 0.732 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -6.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | D59 L61 | D59-G63 PolarHBondContact O-N 3.46Å; L61-G63 PolarHBondContact O-N 3.37Å |
| 64 | K | 73.2 | Confident | 75.2 | Confident | 118 Ų | 118 | 113.9 Ų | 113.9 | 51% | 0.513 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -115.9 | 111.5 | -177 | -72.6 | 171.8 | -171.7 | 158.9 | 0 | 110.1 | E60 L61 L62 H66 | E60-K64 WeakPolarHBondContact O-CD 3.49Å; E60-K64 WeakPolarHBondContact O-CG 3.41Å; L61-K64 PolarHBondContact O-N 3.38Å; L62-K64 VanDerWaalsContact C-N 3.31Å; K64-H66 PolarHBondContact O-CD2 2.76Å; K64-H66 VanDerWaalsContact O-CD2 3.28Å; K64-H66 PolarHBondContact O-N 2.97Å |
| 65 | D | 71.5 | Confident | 73.8 | Confident | 126 Ų | 126 | 115.1 Ų | 115.1 | 67% | 0.674 | 60% | 0.595 | S | S | * | * | trans | -64.7 | 96.1 | 169.7 | -80 | -29.2 | 0 | 0 | 0 | 110.5 | T67 | D65-T67 PolarHBondContact O-N 3.06Š| ||
| 66 | H | 64.3 | Low | 72.3 | Confident | 109 Ų | 109 | 119.1 Ų | 119.1 | 51% | 0.505 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.9 | 2.4 | 175.8 | -62.8 | -58.8 | 0 | 0 | 0 | 113.8 | L61 K64 Q68 V69 | L61-H66 WeakPolarHBondContact CD2-NE2 2.99Å; K64-H66 PolarHBondContact O-CD2 2.76Å; K64-H66 VanDerWaalsContact O-CD2 3.28Å; K64-H66 PolarHBondContact O-N 2.97Å; H66-Q68 VanDerWaalsContact C-N 3.32Å; H66-V69 WeakPolarHBondContact O-CG2 3.48Å |
| 67 | T | 68 | Low | 71 | Confident | 124 Ų | 124 | 120 Ų | 120 | 76% | 0.761 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -18.9 | 176 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | D65 V69 | D65-T67 PolarHBondContact O-N 3.06Å; T67-V69 PolarHBondContact O-N 3.23Å; T67-V69 VanDerWaalsContact O-N 3.15Å |
| 68 | Q | 67 | Low | 69.4 | Low | 166 Ų | 166 | 122.2 Ų | 122.2 | 78% | 0.776 | 64% | 0.636 | S | S | * | * | trans | -89.2 | 51 | 176.9 | -61.5 | -170.3 | 9.8 | 0 | 0 | 112.2 | H66 | H66-Q68 VanDerWaalsContact C-N 3.32Š| ||
| 69 | V | 66.5 | Low | 68.3 | Low | 115 Ų | 115 | 120.1 Ų | 120.1 | 70% | 0.697 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 120.7 | 169.8 | -140.2 | 0 | 0 | 0 | 0 | 108.3 | H66 T67 S71 | H66-V69 WeakPolarHBondContact O-CG2 3.48Å; T67-V69 PolarHBondContact O-N 3.23Å; T67-V69 VanDerWaalsContact O-N 3.15Å; V69-S71 PolarHBondContact O-N 2.9Å |
| 70 | V | 64.6 | Low | 67 | Low | 93 Ų | 93 | 120.4 Ų | 120.4 | 56% | 0.564 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 132.5 | 169.9 | 178.7 | 0 | 0 | 0 | 0 | 108.4 | L72 D74 | V70-L72 PolarHBondContact O-N 3.04Å; V70-D74 HydrophobicContact CG1-CB 3.9Å |
| 71 | S | 67.8 | Low | 66.1 | Low | 56 Ų | 56 | 124.8 Ų | 124.8 | 39% | 0.392 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -56.9 | 138.2 | -173.5 | 96.1 | 0 | 0 | 0 | 0 | 110 | V69 K73 D74 | V69-S71 PolarHBondContact O-N 2.9Å; S71-K73 PolarHBondContact O-N 3.26Å; S71-K73 PolarHBondContact OG-N 3.35Å; S71-D74 WeakPolarHBondContact CB-OD2 3.43Å; S71-D74 PolarHBondContact O-N 2.97Å; S71-D74 PolarHBondContact OG-OD2 3.35Å |
| 72 | L | 63.8 | Low | 65.6 | Low | 152 Ų | 152 | 123.7 Ų | 123.7 | 80% | 0.796 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -58.6 | -19.3 | 179.3 | -81.8 | 103.3 | 0 | 0 | 0 | 113 | V70 L76 | V70-L72 PolarHBondContact O-N 3.04Å; L72-L76 PolarHBondContact O-N 3.18Å |
| 73 | K | 62.3 | Low | 65 | Low | 178 Ų | 178 | 121.4 Ų | 121.4 | 77% | 0.774 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65.4 | -40.9 | 175.5 | -66.7 | -172.2 | 178 | -175 | 0 | 111.3 | S71 K75 L76 | S71-K73 PolarHBondContact O-N 3.26Å; S71-K73 PolarHBondContact OG-N 3.35Å; K73-K75 VanDerWaalsContact C-N 3.31Å; K73-K75 PolarHBondContact O-N 2.74Å; K73-L76 WeakPolarHBondContact O-CB 3.26Å; K73-L76 PolarHBondContact O-N 2.91Å; K73-L76 VanDerWaalsContact O-N 3.15Å |
| 74 | D | 62.5 | Low | 64.6 | Low | 91 Ų | 91 | 124.1 Ų | 124.1 | 49% | 0.487 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -70.8 | -30 | -177.8 | -50.8 | -44.8 | 0 | 0 | 0 | 111.6 | V70 S71 | V70-D74 HydrophobicContact CG1-CB 3.9Å; S71-D74 WeakPolarHBondContact CB-OD2 3.43Å; S71-D74 PolarHBondContact O-N 2.97Å; S71-D74 PolarHBondContact OG-OD2 3.35Å |
| 75 | K | 58.8 | Low | 64.2 | Low | 143 Ų | 143 | 121.6 Ų | 121.6 | 62% | 0.622 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -74.8 | -19.5 | 173.2 | -87.2 | -179.5 | -175.9 | -84.4 | 0 | 113.7 | K73 E77 F78 A79 | K73-K75 VanDerWaalsContact C-N 3.31Å; K73-K75 PolarHBondContact O-N 2.74Å; K75-E77 PolarHBondContact O-N 3.23Å; K75-F78 CarbonylContact O-C 3.59Å; K75-F78 PolarHBondContact O-N 2.92Å; K75-A79 WeakPolarHBondContact O-CA 3.35Å; K75-A79 VanDerWaalsContact O-CB 3.31Å; K75-A79 WeakPolarHBondContact O-CB 3.47Å; K75-A79 PolarHBondContact O-N 2.92Å |
| 76 | L | 57.8 | Low | 64.2 | Low | 139 Ų | 139 | 124.9 Ų | 124.9 | 73% | 0.728 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66.1 | -31.6 | -177.6 | -151.9 | 81 | 0 | 0 | 0 | 111.6 | L72 K73 F78 | L72-L76 PolarHBondContact O-N 3.18Å; K73-L76 WeakPolarHBondContact O-CB 3.26Å; K73-L76 PolarHBondContact O-N 2.91Å; K73-L76 VanDerWaalsContact O-N 3.15Å; L76-F78 VanDerWaalsContact C-N 3.28Å; L76-F78 PolarHBondContact O-N 2.86Å |
| 77 | E | 59.5 | Low | 64.6 | Low | 169 Ų | 169 | 126.2 Ų | 126.2 | 79% | 0.79 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -30.6 | 176.3 | -62.8 | -170 | 169.4 | 0 | 0 | 112.5 | K75 | K75-E77 PolarHBondContact O-N 3.23Š|
| 78 | F | 56.5 | Low | 64.8 | Low | 179 Ų | 179 | 127.7 Ų | 127.7 | 79% | 0.785 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | 3.4 | -179.1 | -73.3 | -83.4 | 0 | 0 | 0 | 114 | K75 L76 P80 | K75-F78 CarbonylContact O-C 3.59Å; K75-F78 PolarHBondContact O-N 2.92Å; L76-F78 VanDerWaalsContact C-N 3.28Å; L76-F78 PolarHBondContact O-N 2.86Å; F78-P80 WeakPolarHBondContact O-CD 3.29Å |
| 79 | A | 62.4 | Low | 64.9 | Low | 54 Ų | 54 | 125.1 Ų | 125.1 | 45% | 0.446 | 65% | 0.646 | S | S | . | * | trans | -70.2 | 117.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | K75 K81 | K75-A79 WeakPolarHBondContact O-CA 3.35Å; K75-A79 VanDerWaalsContact O-CB 3.31Å; K75-A79 WeakPolarHBondContact O-CB 3.47Å; K75-A79 PolarHBondContact O-N 2.92Å; A79-K81 PolarHBondContact O-N 3.27Å | ||
| 80 | P | 60 | Low | 65.1 | Low | 118 Ų | 118 | 128.2 Ų | 128.2 | 77% | 0.766 | 65% | 0.653 | S | S | * | * | trans | -56.4 | 135.5 | 175 | 23.3 | -31.7 | 0 | 0 | 0 | 108.2 | F78 A82 | F78-P80 WeakPolarHBondContact O-CD 3.29Å; P80-A82 PolarHBondContact O-N 3.48Å | ||
| 81 | K | 65.8 | Low | 65.1 | Low | 191 Ų | 191 | 133.6 Ų | 133.6 | 83% | 0.83 | 67% | 0.669 | S | S | * | * | trans | -41.4 | 109.9 | -178.7 | -76.8 | -177.4 | 177.1 | -178.5 | 0 | 108.8 | A79 V83 | A79-K81 PolarHBondContact O-N 3.27Å; K81-V83 PolarHBondContact O-N 3.42Å | ||
| 82 | A | 69.6 | Low | 64 | Low | 60 Ų | 60 | 142.1 Ų | 142.1 | 50% | 0.496 | 71% | 0.71 | S | S | . | * | trans | -52.4 | 140.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | P80 L84 N85 | P80-A82 PolarHBondContact O-N 3.48Å; A82-L84 PolarHBondContact O-N 3.32Å; A82-N85 WeakPolarHBondContact O-CB 3.31Å; A82-N85 PolarHBondContact O-N 3.14Å | ||
| 83 | V | 68.1 | Low | 64 | Low | 98 Ų | 98 | 141.6 Ų | 141.6 | 59% | 0.594 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -53.3 | -23.9 | -179.9 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | K81 N85 R86 | K81-V83 PolarHBondContact O-N 3.42Å; V83-N85 VanDerWaalsContact C-N 3.34Å; V83-N85 PolarHBondContact O-N 3.29Å; V83-R86 WeakPolarHBondContact O-CD 3.39Å; V83-R86 WeakPolarHBondContact O-CG 3.46Å; V83-R86 PolarHBondContact O-NE 2.89Å; V83-R86 VanDerWaalsContact O-NE 3.1Å |
| 84 | L | 66.6 | Low | 64.1 | Low | 128 Ų | 128 | 139.7 Ų | 139.7 | 67% | 0.67 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -68.1 | -24.1 | 174 | -167.7 | 65.3 | 0 | 0 | 0 | 114.7 | A82 R86 | A82-L84 PolarHBondContact O-N 3.32Å; L84-R86 PolarHBondContact O-N 3.33Å |
| 85 | N | 65.8 | Low | 64.2 | Low | 65 Ų | 65 | 142.4 Ų | 142.4 | 35% | 0.348 | 71% | 0.714 | S | S | . | * | G | 310 helix | trans | -69 | -17.6 | 179.4 | -98.3 | -27.8 | 0 | 0 | 0 | 113.6 | A82 V83 N87 R88 | A82-N85 WeakPolarHBondContact O-CB 3.31Å; A82-N85 PolarHBondContact O-N 3.14Å; V83-N85 VanDerWaalsContact C-N 3.34Å; V83-N85 PolarHBondContact O-N 3.29Å; N85-N87 PolarHBondContact O-N 3Å; N85-N87 VanDerWaalsContact O-N 3.11Å; N85-R88 PolarHBondContact O-N 3.32Å; N85-R88 VanDerWaalsContact O-N 3.13Å; N85-R88 WeakPolarHBondContact OD1-CD 3.31Å; N85-R88 PolarHBondContact OD1-NH1 2.73Å |
| 86 | R | 70 | Confident | 64.5 | Low | 195 Ų | 195 | 142.4 Ų | 142.4 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -60.7 | -20.3 | 179.3 | 71.3 | -164.2 | 165.6 | 175.8 | -4.6 | 114.2 | V83 L84 | V83-R86 WeakPolarHBondContact O-CD 3.39Å; V83-R86 WeakPolarHBondContact O-CG 3.46Å; V83-R86 PolarHBondContact O-NE 2.89Å; V83-R86 VanDerWaalsContact O-NE 3.1Å; L84-R86 PolarHBondContact O-N 3.33Å |
| 87 | N | 74.2 | Confident | 65 | Low | 136 Ų | 136 | 142.6 Ų | 142.6 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -100.7 | 2.2 | -179.3 | -73.9 | 5 | 0 | 0 | 0 | 113.5 | N85 | N85-N87 PolarHBondContact O-N 3Å; N85-N87 VanDerWaalsContact O-N 3.11Å |
| 88 | R | 72 | Confident | 65.3 | Low | 155 Ų | 155 | 140.8 Ų | 140.8 | 59% | 0.585 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -82.9 | 125.4 | 175.8 | -74 | -168.3 | 171 | 107 | 0 | 108.5 | N85 E90 | N85-R88 PolarHBondContact O-N 3.32Å; N85-R88 VanDerWaalsContact O-N 3.13Å; N85-R88 WeakPolarHBondContact OD1-CD 3.31Å; N85-R88 PolarHBondContact OD1-NH1 2.73Å; R88-E90 PolarHBondContact O-N 3.31Å |
| 89 | P | 68.9 | Low | 66 | Low | 113 Ų | 113 | 138.1 Ų | 138.1 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 129.7 | 174.7 | 25.4 | -32.1 | 0 | 0 | 0 | 108.9 | K91 | P89-K91 PolarHBondContact O-N 3.27Å; P89-K91 VanDerWaalsContact O-N 3.12Å |
| 90 | E | 69.5 | Low | 66.2 | Low | 179 Ų | 179 | 144.5 Ų | 144.5 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -56 | 118.3 | 170.4 | 17.6 | -76.9 | 146.8 | 0 | 0 | 108.5 | R88 N92 | R88-E90 PolarHBondContact O-N 3.31Å; E90-N92 PolarHBondContact O-N 3.18Å |
| 91 | K | 65.2 | Low | 66.7 | Low | 207 Ų | 207 | 146.8 Ų | 146.8 | 90% | 0.9 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 116.1 | 174.5 | -161.3 | 179.1 | -178.2 | -174.1 | 0 | 106.9 | P89 | P89-K91 PolarHBondContact O-N 3.27Å; P89-K91 VanDerWaalsContact O-N 3.12Å |
| 92 | N | 45.2 | Very low | 66.8 | Low | 234 Ų | 234 | 142.7 Ų | 142.7 | 100% | 1.251 | 72% | 0.716 | S | S | * | * | trans | -46.5 | 0 | 172.2 | -73.3 | -33.9 | 0 | 0 | 0 | 112.5 | E90 | E90-N92 PolarHBondContact O-N 3.18Š|
Retrieved 92 of 92 residues in 143.3 ms
(Link to these results)