| 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 | 70.4 | Confident | 71.3 | Confident | 203 Ų | 203 | 134.2 Ų | 134.2 | 100% | 1 | 62% | 0.624 | S | S | * | * | 0 | -32.9 | 0 | -74.7 | 178.8 | 175.3 | 0 | 0 | 114 | W3 I4 R5 | M1-W3 PolarHBondContact O-N 3.15Å; M1-I4 PolarHBondContact O-N 2.97Å; M1-R5 PolarHBondContact O-N 3.27Å | |||
| 2 | L | 75.4 | Confident | 70.8 | Confident | 123 Ų | 123 | 130.2 Ų | 130.2 | 64% | 0.644 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -61.5 | -39.6 | 178.7 | -151.3 | 89.4 | 0 | 0 | 0 | 113.3 | I4 R5 I6 | L2-I4 PolarHBondContact O-N 3.44Å; L2-R5 CarbonylContact O-C 3.59Å; L2-R5 WeakPolarHBondContact O-CB 3.46Å; L2-R5 PolarHBondContact O-N 2.76Å; L2-R5 VanDerWaalsContact O-N 3.15Å; L2-I6 HydrophobicContact CD2-CD1 3.96Å; L2-I6 HydrophobicContact CG-CD1 4.23Å; L2-I6 VanDerWaalsContact O-CG1 3.32Å; L2-I6 WeakPolarHBondContact O-CG1 3.47Å; L2-I6 PolarHBondContact O-N 2.85Å |
| 3 | W | 76.5 | Confident | 70.7 | Confident | 209 Ų | 209 | 126.5 Ų | 126.5 | 79% | 0.792 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -60.2 | -42.7 | 179 | -92.8 | 71.9 | 0 | 0 | 0 | 113.7 | M1 R5 I6 L7 | M1-W3 PolarHBondContact O-N 3.15Å; W3-R5 VanDerWaalsContact C-N 3.34Å; W3-I6 PolarHBondContact O-N 3.44Å; W3-L7 PolarHBondContact O-N 3.15Å |
| 4 | I | 74.4 | Confident | 70 | Confident | 115 Ų | 115 | 125.1 Ų | 125.1 | 59% | 0.59 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.1 | -41.5 | 175.8 | -64 | 168 | 0 | 0 | 0 | 109.8 | M1 L2 L7 I8 | M1-I4 PolarHBondContact O-N 2.97Å; L2-I4 PolarHBondContact O-N 3.44Å; I4-L7 WeakPolarHBondContact O-CB 3.43Å; I4-L7 PolarHBondContact O-N 3.29Å; I4-I8 HydrophobicContact CG2-CD1 3.75Å; I4-I8 HydrophobicContact CG2-CG1 4.36Å; I4-I8 VanDerWaalsContact O-CG1 3.24Å; I4-I8 WeakPolarHBondContact O-CG1 3.32Å; I4-I8 PolarHBondContact O-N 3.18Å |
| 5 | R | 73.6 | Confident | 69.7 | Low | 181 Ų | 181 | 126.7 Ų | 126.7 | 68% | 0.683 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.5 | -45 | 174.7 | -70 | 178.2 | 87 | 168.3 | 5.5 | 111.4 | M1 L2 W3 L7 I8 T9 | M1-R5 PolarHBondContact O-N 3.27Å; L2-R5 CarbonylContact O-C 3.59Å; L2-R5 WeakPolarHBondContact O-CB 3.46Å; L2-R5 PolarHBondContact O-N 2.76Å; L2-R5 VanDerWaalsContact O-N 3.15Å; W3-R5 VanDerWaalsContact C-N 3.34Å; R5-L7 VanDerWaalsContact C-N 3.33Å; R5-L7 PolarHBondContact O-N 3.45Å; R5-I8 PolarHBondContact O-N 3.02Å; R5-T9 WeakPolarHBondContact O-CB 3.5Å; R5-T9 PolarHBondContact O-N 3.11Å; R5-T9 PolarHBondContact O-OG1 3.44Å |
| 6 | I | 74.6 | Confident | 68.9 | Low | 84 Ų | 84 | 122.1 Ų | 122.1 | 43% | 0.431 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -58.7 | -46.9 | 175.9 | -67.7 | 161.7 | 0 | 0 | 0 | 109.7 | L2 W3 I8 T9 Y10 | L2-I6 HydrophobicContact CD2-CD1 3.96Å; L2-I6 HydrophobicContact CG-CD1 4.23Å; L2-I6 VanDerWaalsContact O-CG1 3.32Å; L2-I6 WeakPolarHBondContact O-CG1 3.47Å; L2-I6 PolarHBondContact O-N 2.85Å; W3-I6 PolarHBondContact O-N 3.44Å; I6-I8 PolarHBondContact O-N 3.43Å; I6-T9 PolarHBondContact O-N 2.81Å; I6-Y10 VanDerWaalsContact O-CB 3.29Å; I6-Y10 WeakPolarHBondContact O-CB 3.24Å; I6-Y10 PolarHBondContact O-N 3.33Å |
| 7 | L | 72.4 | Confident | 68.3 | Low | 112 Ų | 112 | 116.8 Ų | 116.8 | 59% | 0.586 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -57.9 | -46.4 | 175.8 | -108.6 | 75.1 | 0 | 0 | 0 | 112.4 | W3 I4 R5 Y10 F11 | W3-L7 PolarHBondContact O-N 3.15Å; I4-L7 WeakPolarHBondContact O-CB 3.43Å; I4-L7 PolarHBondContact O-N 3.29Å; R5-L7 VanDerWaalsContact C-N 3.33Å; R5-L7 PolarHBondContact O-N 3.45Å; L7-Y10 WeakPolarHBondContact O-CB 3.36Å; L7-Y10 PolarHBondContact O-N 3.22Å; L7-F11 WeakPolarHBondContact O-CB 3.31Å; L7-F11 PolarHBondContact O-N 3.29Å |
| 8 | I | 70.8 | Confident | 67.6 | Low | 102 Ų | 102 | 121.9 Ų | 121.9 | 52% | 0.523 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.3 | -43.5 | 179.5 | -66.7 | 164.7 | 0 | 0 | 0 | 110.8 | I4 R5 I6 Y10 F11 S12 | I4-I8 HydrophobicContact CG2-CD1 3.75Å; I4-I8 HydrophobicContact CG2-CG1 4.36Å; I4-I8 VanDerWaalsContact O-CG1 3.24Å; I4-I8 WeakPolarHBondContact O-CG1 3.32Å; I4-I8 PolarHBondContact O-N 3.18Å; R5-I8 PolarHBondContact O-N 3.02Å; I6-I8 PolarHBondContact O-N 3.43Å; I8-Y10 VanDerWaalsContact C-N 3.33Å; I8-F11 CarbonylContact O-C 3.57Å; I8-F11 PolarHBondContact O-N 2.91Å; I8-S12 PolarHBondContact O-N 2.88Å; I8-S12 PolarHBondContact O-OG 3.46Å |
| 9 | T | 69.3 | Low | 67.2 | Low | 87 Ų | 87 | 123.5 Ų | 123.5 | 53% | 0.534 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67 | -36.5 | 175.6 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | R5 I6 F11 S12 | R5-T9 WeakPolarHBondContact O-CB 3.5Å; R5-T9 PolarHBondContact O-N 3.11Å; R5-T9 PolarHBondContact O-OG1 3.44Å; I6-T9 PolarHBondContact O-N 2.81Å; T9-F11 VanDerWaalsContact C-N 3.29Å; T9-F11 PolarHBondContact O-N 2.91Å; T9-S12 WeakPolarHBondContact O-CB 3.44Å; T9-S12 PolarHBondContact O-N 3.34Å; T9-S12 VanDerWaalsContact O-N 3.15Å |
| 10 | Y | 64.3 | Low | 66.8 | Low | 136 Ų | 136 | 121.5 Ų | 121.5 | 53% | 0.533 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.7 | -40.7 | 172.2 | -132.1 | -103.3 | 0 | 0 | 0 | 111.2 | I6 L7 I8 S12 N13 L16 | I6-Y10 VanDerWaalsContact O-CB 3.29Å; I6-Y10 WeakPolarHBondContact O-CB 3.24Å; I6-Y10 PolarHBondContact O-N 3.33Å; L7-Y10 WeakPolarHBondContact O-CB 3.36Å; L7-Y10 PolarHBondContact O-N 3.22Å; I8-Y10 VanDerWaalsContact C-N 3.33Å; Y10-S12 VanDerWaalsContact C-N 3.28Å; Y10-S12 PolarHBondContact O-N 3.02Å; Y10-N13 PolarHBondContact O-N 2.85Å; Y10-L16 HydrophobicContact CD1-CB 4.15Å; Y10-L16 HydrophobicContact CD1-CD1 3.79Å; Y10-L16 HydrophobicContact CD1-CG 4.47Å; Y10-L16 HydrophobicContact CD2-CD1 4.35Å; Y10-L16 HydrophobicContact CE1-CB 4.23Å; Y10-L16 HydrophobicContact CE1-CD1 3.57Å; Y10-L16 HydrophobicContact CE1-CD2 4.15Å; Y10-L16 HydrophobicContact CE1-CG 4.19Å; Y10-L16 HydrophobicContact CE2-CD1 4.13Å; Y10-L16 HydrophobicContact CG-CD1 4.18Å |
| 11 | F | 62.4 | Low | 66.3 | Low | 124 Ų | 124 | 119.4 Ų | 119.4 | 54% | 0.544 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -74.8 | -16.5 | 177.3 | -147.3 | -100.6 | 0 | 0 | 0 | 113.6 | L7 I8 T9 N13 T17 L20 | L7-F11 WeakPolarHBondContact O-CB 3.31Å; L7-F11 PolarHBondContact O-N 3.29Å; I8-F11 CarbonylContact O-C 3.57Å; I8-F11 PolarHBondContact O-N 2.91Å; T9-F11 VanDerWaalsContact C-N 3.29Å; T9-F11 PolarHBondContact O-N 2.91Å; F11-N13 VanDerWaalsContact C-N 3.3Å; F11-T17 VanDerWaalsContact C-OG1 3.3Å; F11-T17 WeakPolarHBondContact CA-OG1 3.29Å; F11-T17 HydrophobicContact CD1-CG2 4.29Å; F11-T17 HydrophobicContact CD2-CG2 4.43Å; F11-T17 HydrophobicContact CE1-CG2 3.92Å; F11-T17 HydrophobicContact CE2-CG2 4.06Å; F11-T17 HydrophobicContact CZ-CG2 3.79Å; F11-T17 PolarHBondContact O-OG1 3.07Å; F11-L20 HydrophobicContact CD2-CD2 4.05Å; F11-L20 HydrophobicContact CE2-CD2 4.17Å |
| 12 | S | 65.9 | Low | 65.8 | Low | 86 Ų | 86 | 116.3 Ų | 116.3 | 60% | 0.601 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -79.6 | -15.5 | 174.8 | -57.1 | 0 | 0 | 0 | 0 | 112.2 | I8 T9 Y10 P14 | I8-S12 PolarHBondContact O-N 2.88Å; I8-S12 PolarHBondContact O-OG 3.46Å; T9-S12 WeakPolarHBondContact O-CB 3.44Å; T9-S12 PolarHBondContact O-N 3.34Å; T9-S12 VanDerWaalsContact O-N 3.15Å; Y10-S12 VanDerWaalsContact C-N 3.28Å; Y10-S12 PolarHBondContact O-N 3.02Å; S12-P14 VanDerWaalsContact O-CD 3.31Å; S12-P14 WeakPolarHBondContact O-CD 3.3Å |
| 13 | N | 68.7 | Low | 65.2 | Low | 83 Ų | 83 | 111.9 Ų | 111.9 | 44% | 0.444 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -83.9 | 109.9 | 171.3 | -80 | -62.7 | 0 | 0 | 0 | 109.7 | Y10 F11 E15 L16 T17 | Y10-N13 PolarHBondContact O-N 2.85Å; F11-N13 VanDerWaalsContact C-N 3.3Å; N13-E15 PolarHBondContact O-N 3.36Å; N13-E15 VanDerWaalsContact O-N 3.11Å; N13-L16 HydrophobicContact CB-CB 4.32Å; N13-L16 HydrophobicContact CB-CD1 4Å; N13-L16 HydrophobicContact CB-CG 4.27Å; N13-L16 PolarHBondContact O-N 3.43Å; N13-T17 PolarHBondContact O-N 3.47Å; N13-T17 PolarHBondContact O-OG1 3.2Å |
| 14 | P | 61.4 | Low | 64.7 | Low | 107 Ų | 107 | 110.9 Ų | 110.9 | 70% | 0.695 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.6 | -27.7 | -174.3 | 23.5 | -33.5 | 0 | 0 | 0 | 113.2 | S12 R18 | S12-P14 VanDerWaalsContact O-CD 3.31Å; S12-P14 WeakPolarHBondContact O-CD 3.3Å; P14-R18 PolarHBondContact O-N 3.23Å; P14-R18 VanDerWaalsContact O-N 3.15Å |
| 15 | E | 64.9 | Low | 64.6 | Low | 149 Ų | 149 | 108.9 Ų | 108.9 | 70% | 0.696 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69 | -38.3 | 177.7 | -163.6 | -176.5 | 162.6 | 0 | 0 | 112.7 | N13 K19 | N13-E15 PolarHBondContact O-N 3.36Å; N13-E15 VanDerWaalsContact O-N 3.11Å; E15-K19 PolarHBondContact O-N 2.68Å |
| 16 | L | 57 | Low | 64.8 | Low | 53 Ų | 53 | 106.9 Ų | 106.9 | 28% | 0.277 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -81.1 | -33.9 | 178.4 | -62.3 | 170.9 | 0 | 0 | 0 | 111.1 | Y10 N13 R18 K19 L20 | Y10-L16 HydrophobicContact CD1-CB 4.15Å; Y10-L16 HydrophobicContact CD1-CD1 3.79Å; Y10-L16 HydrophobicContact CD1-CG 4.47Å; Y10-L16 HydrophobicContact CD2-CD1 4.35Å; Y10-L16 HydrophobicContact CE1-CB 4.23Å; Y10-L16 HydrophobicContact CE1-CD1 3.57Å; Y10-L16 HydrophobicContact CE1-CD2 4.15Å; Y10-L16 HydrophobicContact CE1-CG 4.19Å; Y10-L16 HydrophobicContact CE2-CD1 4.13Å; Y10-L16 HydrophobicContact CG-CD1 4.18Å; N13-L16 HydrophobicContact CB-CB 4.32Å; N13-L16 HydrophobicContact CB-CD1 4Å; N13-L16 HydrophobicContact CB-CG 4.27Å; N13-L16 PolarHBondContact O-N 3.43Å; L16-R18 VanDerWaalsContact C-N 3.28Å; L16-R18 PolarHBondContact O-N 2.79Å; L16-K19 CarbonylContact O-C 3.58Å; L16-K19 PolarHBondContact O-N 3.15Å; L16-L20 VanDerWaalsContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CB 3.45Å; L16-L20 PolarHBondContact O-N 3.4Å |
| 17 | T | 59 | Low | 65.2 | Low | 32 Ų | 32 | 111.7 Ų | 111.7 | 20% | 0.196 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -61.4 | -35.9 | 172.9 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | F11 N13 L20 A21 | F11-T17 VanDerWaalsContact C-OG1 3.3Å; F11-T17 WeakPolarHBondContact CA-OG1 3.29Å; F11-T17 HydrophobicContact CD1-CG2 4.29Å; F11-T17 HydrophobicContact CD2-CG2 4.43Å; F11-T17 HydrophobicContact CE1-CG2 3.92Å; F11-T17 HydrophobicContact CE2-CG2 4.06Å; F11-T17 HydrophobicContact CZ-CG2 3.79Å; F11-T17 PolarHBondContact O-OG1 3.07Å; N13-T17 PolarHBondContact O-N 3.47Å; N13-T17 PolarHBondContact O-OG1 3.2Å; T17-L20 PolarHBondContact O-N 2.98Å; T17-A21 WeakPolarHBondContact O-CB 3.39Å; T17-A21 PolarHBondContact O-N 3.33Å |
| 18 | R | 56.2 | Low | 65.7 | Low | 209 Ų | 209 | 114 Ų | 114 | 79% | 0.789 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.3 | -40.1 | 174.4 | -158.2 | 168.9 | -175.8 | -179.7 | 0.3 | 112.3 | P14 L16 L20 D22 | P14-R18 PolarHBondContact O-N 3.23Å; P14-R18 VanDerWaalsContact O-N 3.15Å; L16-R18 VanDerWaalsContact C-N 3.28Å; L16-R18 PolarHBondContact O-N 2.79Å; R18-L20 VanDerWaalsContact C-N 3.33Å; R18-D22 PolarHBondContact O-N 3.24Å |
| 19 | K | 59.9 | Low | 66.5 | Low | 151 Ų | 151 | 112.9 Ų | 112.9 | 66% | 0.657 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.5 | -29.8 | 173.4 | -70.5 | -169.3 | 177.6 | -170.2 | 0 | 113.1 | E15 L16 S23 | E15-K19 PolarHBondContact O-N 2.68Å; L16-K19 CarbonylContact O-C 3.58Å; L16-K19 PolarHBondContact O-N 3.15Å; K19-S23 PolarHBondContact O-N 3.04Å |
| 20 | L | 58.4 | Low | 67.4 | Low | 84 Ų | 84 | 111.3 Ų | 111.3 | 44% | 0.44 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -84.7 | -30.1 | 177.2 | -147.4 | 75.8 | 0 | 0 | 0 | 112.4 | F11 L16 T17 R18 D22 S23 | F11-L20 HydrophobicContact CD2-CD2 4.05Å; F11-L20 HydrophobicContact CE2-CD2 4.17Å; L16-L20 VanDerWaalsContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CB 3.45Å; L16-L20 PolarHBondContact O-N 3.4Å; T17-L20 PolarHBondContact O-N 2.98Å; R18-L20 VanDerWaalsContact C-N 3.33Å; L20-D22 VanDerWaalsContact C-N 3.32Å; L20-S23 VanDerWaalsContact C-OG 3.32Å; L20-S23 WeakPolarHBondContact CA-OG 3.03Å; L20-S23 VanDerWaalsContact O-CB 3.25Å; L20-S23 WeakPolarHBondContact O-CB 3.25Å; L20-S23 PolarHBondContact O-N 2.53Å; L20-S23 PolarHBondContact O-OG 3.41Å |
| 21 | A | 57.4 | Low | 68.6 | Low | 77 Ų | 77 | 113.1 Ų | 113.1 | 64% | 0.636 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.7 | -33.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T17 | T17-A21 WeakPolarHBondContact O-CB 3.39Å; T17-A21 PolarHBondContact O-N 3.33Å |
| 22 | D | 59.3 | Low | 70 | Confident | 138 Ų | 138 | 109.1 Ų | 109.1 | 74% | 0.738 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -4.2 | 168.4 | -157 | 6.6 | 0 | 0 | 0 | 112.8 | R18 L20 | R18-D22 PolarHBondContact O-N 3.24Å; L20-D22 VanDerWaalsContact C-N 3.32Å |
| 23 | S | 62.9 | Low | 71.2 | Confident | 30 Ų | 30 | 108.9 Ų | 108.9 | 21% | 0.21 | 54% | 0.543 | C | S | . | . | S | Bend | trans | -72.2 | 145.7 | -178.5 | 74.6 | 0 | 0 | 0 | 0 | 110.8 | K19 L20 P25 | K19-S23 PolarHBondContact O-N 3.04Å; L20-S23 VanDerWaalsContact C-OG 3.32Å; L20-S23 WeakPolarHBondContact CA-OG 3.03Å; L20-S23 VanDerWaalsContact O-CB 3.25Å; L20-S23 WeakPolarHBondContact O-CB 3.25Å; L20-S23 PolarHBondContact O-N 2.53Å; L20-S23 PolarHBondContact O-OG 3.41Å; S23-P25 VanDerWaalsContact C-N 3.35Å; S23-P25 WeakPolarHBondContact O-CD 3.35Å; S23-P25 WeakPolarHBondContact OG-CD 3.25Å; S23-P25 VanDerWaalsContact OG-CG 3.27Å; S23-P25 WeakPolarHBondContact OG-CG 3.46Å |
| 24 | K | 65.8 | Low | 72.3 | Confident | 189 Ų | 189 | 109 Ų | 109 | 82% | 0.822 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -57.7 | -23.1 | 177.2 | -61.2 | 177.6 | -178.6 | 177.2 | 0 | 116.5 | M26 Y28 | K24-M26 PolarHBondContact O-N 2.75Å; K24-Y28 WeakPolarHBondContact O-CB 3.27Å; K24-Y28 PolarHBondContact O-N 2.9Å |
| 25 | P | 73.5 | Confident | 73.6 | Confident | 72 Ų | 72 | 112 Ų | 112 | 47% | 0.468 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.9 | -30.7 | -175.3 | 28 | -29.3 | 0 | 0 | 0 | 113.4 | S23 Y28 V29 | S23-P25 VanDerWaalsContact C-N 3.35Å; S23-P25 WeakPolarHBondContact O-CD 3.35Å; S23-P25 WeakPolarHBondContact OG-CD 3.25Å; S23-P25 VanDerWaalsContact OG-CG 3.27Å; S23-P25 WeakPolarHBondContact OG-CG 3.46Å; P25-Y28 WeakPolarHBondContact O-CB 3.42Å; P25-Y28 PolarHBondContact O-N 3.13Å; P25-V29 WeakPolarHBondContact O-CB 3.17Å; P25-V29 VanDerWaalsContact O-CG2 3.28Å; P25-V29 WeakPolarHBondContact O-CG2 3.46Å; P25-V29 PolarHBondContact O-N 3.34Å |
| 26 | M | 77 | Confident | 74.7 | Confident | 140 Ų | 140 | 110.6 Ų | 110.6 | 69% | 0.69 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66 | -44.5 | 178.1 | -168.3 | 62.6 | -176.9 | 0 | 0 | 111.3 | K24 Y28 V29 A30 | K24-M26 PolarHBondContact O-N 2.75Å; M26-Y28 VanDerWaalsContact C-N 3.31Å; M26-Y28 PolarHBondContact O-N 3.43Å; M26-V29 PolarHBondContact O-N 3.11Å; M26-A30 WeakPolarHBondContact O-CB 3.03Å; M26-A30 PolarHBondContact O-N 3.29Å |
| 27 | R | 82 | Confident | 76.1 | Confident | 184 Ų | 184 | 114.2 Ų | 114.2 | 69% | 0.694 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.4 | -37.7 | 173 | -75 | -176.2 | 178.6 | 174.1 | 1.6 | 112.1 | R31 | R27-R31 WeakPolarHBondContact O-CB 3.43Å; R27-R31 VanDerWaalsContact O-CG 3.3Å; R27-R31 WeakPolarHBondContact O-CG 3.2Å; R27-R31 PolarHBondContact O-N 2.82Å |
| 28 | Y | 84.5 | Confident | 77.4 | Confident | 161 Ų | 161 | 116.8 Ų | 116.8 | 63% | 0.631 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.9 | -49.1 | 176.8 | -179.6 | -100.2 | 0 | 0 | 0 | 111.3 | K24 P25 M26 A30 R31 T32 | K24-Y28 WeakPolarHBondContact O-CB 3.27Å; K24-Y28 PolarHBondContact O-N 2.9Å; P25-Y28 WeakPolarHBondContact O-CB 3.42Å; P25-Y28 PolarHBondContact O-N 3.13Å; M26-Y28 VanDerWaalsContact C-N 3.31Å; M26-Y28 PolarHBondContact O-N 3.43Å; Y28-A30 PolarHBondContact O-N 3.47Å; Y28-R31 PolarHBondContact O-N 2.99Å; Y28-T32 WeakPolarHBondContact O-CB 3.5Å; Y28-T32 PolarHBondContact O-N 3.44Å; Y28-T32 PolarHBondContact O-OG1 3.41Å |
| 29 | V | 87.5 | Confident | 78.8 | Confident | 79 Ų | 79 | 112.1 Ų | 112.1 | 48% | 0.479 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.6 | -47.6 | 176.6 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | P25 M26 R31 T32 T33 | P25-V29 WeakPolarHBondContact O-CB 3.17Å; P25-V29 VanDerWaalsContact O-CG2 3.28Å; P25-V29 WeakPolarHBondContact O-CG2 3.46Å; P25-V29 PolarHBondContact O-N 3.34Å; M26-V29 PolarHBondContact O-N 3.11Å; V29-R31 PolarHBondContact O-N 2.84Å; V29-T32 PolarHBondContact O-N 3.28Å; V29-T33 WeakPolarHBondContact O-CB 3.35Å; V29-T33 PolarHBondContact O-N 3.24Å; V29-T33 PolarHBondContact O-OG1 3.46Å |
| 30 | A | 87.8 | Confident | 79.9 | Confident | 54 Ų | 54 | 107.7 Ų | 107.7 | 45% | 0.446 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.4 | -46.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M26 Y28 T32 T33 V34 | M26-A30 WeakPolarHBondContact O-CB 3.03Å; M26-A30 PolarHBondContact O-N 3.29Å; Y28-A30 PolarHBondContact O-N 3.47Å; A30-T32 PolarHBondContact O-N 3.43Å; A30-T33 PolarHBondContact O-N 3.02Å; A30-V34 WeakPolarHBondContact O-CB 3.28Å; A30-V34 VanDerWaalsContact O-CG2 3.26Å; A30-V34 WeakPolarHBondContact O-CG2 3.5Å; A30-V34 PolarHBondContact O-N 3.49Å |
| 31 | R | 90.1 | Very high | 80.9 | Confident | 174 Ų | 174 | 108.8 Ų | 108.8 | 66% | 0.657 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.2 | -41.6 | 176.8 | -74.4 | 176.6 | 179 | -173.2 | -0.9 | 112 | R27 Y28 V29 R35 | R27-R31 WeakPolarHBondContact O-CB 3.43Å; R27-R31 VanDerWaalsContact O-CG 3.3Å; R27-R31 WeakPolarHBondContact O-CG 3.2Å; R27-R31 PolarHBondContact O-N 2.82Å; Y28-R31 PolarHBondContact O-N 2.99Å; V29-R31 PolarHBondContact O-N 2.84Å; R31-R35 WeakPolarHBondContact O-CB 3.38Å; R31-R35 VanDerWaalsContact O-CG 3.28Å; R31-R35 WeakPolarHBondContact O-CG 3.47Å; R31-R35 PolarHBondContact O-N 2.94Å |
| 32 | T | 90.3 | Very high | 81.9 | Confident | 39 Ų | 39 | 109.4 Ų | 109.4 | 24% | 0.239 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -65.1 | -46.3 | 178.5 | -62.4 | 0 | 0 | 0 | 0 | 110.9 | Y28 V29 A30 R35 M36 | Y28-T32 WeakPolarHBondContact O-CB 3.5Å; Y28-T32 PolarHBondContact O-N 3.44Å; Y28-T32 PolarHBondContact O-OG1 3.41Å; V29-T32 PolarHBondContact O-N 3.28Å; A30-T32 PolarHBondContact O-N 3.43Å; T32-R35 PolarHBondContact O-N 2.82Å; T32-M36 HydrophobicContact CG2-CE 3.58Å; T32-M36 HydrophobicContact CG2-CG 4.45Å; T32-M36 HydrophobicContact CG2-SD 4.01Å; T32-M36 WeakPolarHBondContact O-CB 3.39Å; T32-M36 VanDerWaalsContact O-CG 3.28Å; T32-M36 WeakPolarHBondContact O-CG 3.33Å; T32-M36 PolarHBondContact O-N 2.95Å |
| 33 | T | 90.9 | Very high | 82.4 | Confident | 82 Ų | 82 | 107 Ų | 107 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 176.6 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | V29 A30 M36 F37 | V29-T33 WeakPolarHBondContact O-CB 3.35Å; V29-T33 PolarHBondContact O-N 3.24Å; V29-T33 PolarHBondContact O-OG1 3.46Å; A30-T33 PolarHBondContact O-N 3.02Å; T33-M36 PolarHBondContact O-N 2.75Å; T33-F37 VanDerWaalsContact O-CB 3.26Å; T33-F37 WeakPolarHBondContact O-CB 3.3Å; T33-F37 PolarHBondContact O-N 3.41Å |
| 34 | V | 92.2 | Very high | 82.5 | Confident | 84 Ų | 84 | 113.2 Ų | 113.2 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 177.8 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | A30 F37 L38 | A30-V34 WeakPolarHBondContact O-CB 3.28Å; A30-V34 VanDerWaalsContact O-CG2 3.26Å; A30-V34 WeakPolarHBondContact O-CG2 3.5Å; A30-V34 PolarHBondContact O-N 3.49Å; V34-F37 PolarHBondContact O-N 2.88Å; V34-L38 HydrophobicContact CG1-CD1 3.77Å; V34-L38 HydrophobicContact CG1-CG 4.29Å; V34-L38 WeakPolarHBondContact O-CB 3.44Å; V34-L38 VanDerWaalsContact O-CG 3.31Å; V34-L38 WeakPolarHBondContact O-CG 3.26Å; V34-L38 PolarHBondContact O-N 3.05Å |
| 35 | R | 88.6 | Confident | 82.5 | Confident | 170 Ų | 170 | 110.5 Ų | 110.5 | 64% | 0.642 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.8 | -48.9 | 175.4 | -77.2 | 179.5 | 178.5 | -169.7 | -2.6 | 111.8 | R31 T32 F37 L38 E39 | R31-R35 WeakPolarHBondContact O-CB 3.38Å; R31-R35 VanDerWaalsContact O-CG 3.28Å; R31-R35 WeakPolarHBondContact O-CG 3.47Å; R31-R35 PolarHBondContact O-N 2.94Å; T32-R35 PolarHBondContact O-N 2.82Å; R35-F37 VanDerWaalsContact C-N 3.26Å; R35-F37 PolarHBondContact O-N 2.78Å; R35-L38 PolarHBondContact O-N 2.84Å; R35-E39 VanDerWaalsContact O-CB 3.29Å; R35-E39 WeakPolarHBondContact O-CB 3.19Å; R35-E39 VanDerWaalsContact O-CG 3.29Å; R35-E39 WeakPolarHBondContact O-CG 3.3Å; R35-E39 PolarHBondContact O-N 3.37Å |
| 36 | M | 87.8 | Confident | 82 | Confident | 120 Ų | 120 | 113.5 Ų | 113.5 | 59% | 0.591 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -58.8 | -40 | 176.4 | -75.2 | 177.9 | 177.9 | 0 | 0 | 111.6 | T32 T33 A40 | T32-M36 HydrophobicContact CG2-CE 3.58Å; T32-M36 HydrophobicContact CG2-CG 4.45Å; T32-M36 HydrophobicContact CG2-SD 4.01Å; T32-M36 WeakPolarHBondContact O-CB 3.39Å; T32-M36 VanDerWaalsContact O-CG 3.28Å; T32-M36 WeakPolarHBondContact O-CG 3.33Å; T32-M36 PolarHBondContact O-N 2.95Å; T33-M36 PolarHBondContact O-N 2.75Å; M36-A40 WeakPolarHBondContact O-CB 3.14Å; M36-A40 PolarHBondContact O-N 3.41Å |
| 37 | F | 86.6 | Confident | 81 | Confident | 130 Ų | 130 | 107.9 Ų | 107.9 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69 | -44.3 | 178.4 | -177 | -103.9 | 0 | 0 | 0 | 112.4 | T33 V34 R35 A40 K41 | T33-F37 VanDerWaalsContact O-CB 3.26Å; T33-F37 WeakPolarHBondContact O-CB 3.3Å; T33-F37 PolarHBondContact O-N 3.41Å; V34-F37 PolarHBondContact O-N 2.88Å; R35-F37 VanDerWaalsContact C-N 3.26Å; R35-F37 PolarHBondContact O-N 2.78Å; F37-A40 PolarHBondContact O-N 2.91Å; F37-K41 HydrophobicContact CD1-CD 3.9Å; F37-K41 HydrophobicContact CD1-CG 4.48Å; F37-K41 HydrophobicContact CE1-CD 3.33Å; F37-K41 HydrophobicContact CE1-CG 4.21Å; F37-K41 HydrophobicContact CE2-CD 4.35Å; F37-K41 HydrophobicContact CZ-CD 3.6Å; F37-K41 HydrophobicContact CZ-CG 4.23Å; F37-K41 WeakPolarHBondContact O-CB 3.29Å; F37-K41 WeakPolarHBondContact O-CG 3.46Å; F37-K41 PolarHBondContact O-N 3.47Å |
| 38 | L | 87.6 | Confident | 79.8 | Confident | 86 Ų | 86 | 104.2 Ų | 104.2 | 45% | 0.45 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -47.2 | 176.1 | -71.6 | 171.9 | 0 | 0 | 0 | 111.1 | V34 R35 A40 K41 D42 | V34-L38 HydrophobicContact CG1-CD1 3.77Å; V34-L38 HydrophobicContact CG1-CG 4.29Å; V34-L38 WeakPolarHBondContact O-CB 3.44Å; V34-L38 VanDerWaalsContact O-CG 3.31Å; V34-L38 WeakPolarHBondContact O-CG 3.26Å; V34-L38 PolarHBondContact O-N 3.05Å; R35-L38 PolarHBondContact O-N 2.84Å; L38-A40 VanDerWaalsContact C-N 3.31Å; L38-A40 PolarHBondContact O-N 2.87Å; L38-K41 PolarHBondContact O-N 2.86Å; L38-K41 VanDerWaalsContact O-N 3.14Å; L38-D42 WeakPolarHBondContact O-CB 3.1Å; L38-D42 PolarHBondContact O-N 2.87Å |
| 39 | E | 85 | Confident | 78.4 | Confident | 110 Ų | 110 | 102.8 Ų | 102.8 | 51% | 0.514 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 175 | -73.6 | 177 | -168.7 | 0 | 0 | 111.7 | R35 K43 | R35-E39 VanDerWaalsContact O-CB 3.29Å; R35-E39 WeakPolarHBondContact O-CB 3.19Å; R35-E39 VanDerWaalsContact O-CG 3.29Å; R35-E39 WeakPolarHBondContact O-CG 3.3Å; R35-E39 PolarHBondContact O-N 3.37Å; E39-K43 WeakPolarHBondContact O-CA 3.46Å; E39-K43 WeakPolarHBondContact O-CB 3.42Å; E39-K43 WeakPolarHBondContact O-CD 3.45Å; E39-K43 WeakPolarHBondContact O-CG 3.26Å; E39-K43 PolarHBondContact O-N 3.35Å |
| 40 | A | 82 | Confident | 77 | Confident | 58 Ų | 58 | 109.9 Ų | 109.9 | 48% | 0.479 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.5 | -37.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | M36 F37 L38 M44 | M36-A40 WeakPolarHBondContact O-CB 3.14Å; M36-A40 PolarHBondContact O-N 3.41Å; F37-A40 PolarHBondContact O-N 2.91Å; L38-A40 VanDerWaalsContact C-N 3.31Å; L38-A40 PolarHBondContact O-N 2.87Å; A40-M44 WeakPolarHBondContact O-CB 3.41Å; A40-M44 PolarHBondContact O-N 3.32Å |
| 41 | K | 79.6 | Confident | 75.6 | Confident | 107 Ų | 107 | 110 Ų | 110 | 47% | 0.465 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.4 | -49.6 | 175.2 | -79.1 | -174.8 | 62.9 | 176.1 | 0 | 112.3 | F37 L38 K43 M44 L45 | F37-K41 HydrophobicContact CD1-CD 3.9Å; F37-K41 HydrophobicContact CD1-CG 4.48Å; F37-K41 HydrophobicContact CE1-CD 3.33Å; F37-K41 HydrophobicContact CE1-CG 4.21Å; F37-K41 HydrophobicContact CE2-CD 4.35Å; F37-K41 HydrophobicContact CZ-CD 3.6Å; F37-K41 HydrophobicContact CZ-CG 4.23Å; F37-K41 WeakPolarHBondContact O-CB 3.29Å; F37-K41 WeakPolarHBondContact O-CG 3.46Å; F37-K41 PolarHBondContact O-N 3.47Å; L38-K41 PolarHBondContact O-N 2.86Å; L38-K41 VanDerWaalsContact O-N 3.14Å; K41-K43 VanDerWaalsContact C-N 3.32Å; K41-M44 PolarHBondContact O-N 3.21Å; K41-M44 VanDerWaalsContact O-N 3.16Å; K41-L45 WeakPolarHBondContact O-CG 3.28Å; K41-L45 PolarHBondContact O-N 3.41Å |
| 42 | D | 78.5 | Confident | 74.2 | Confident | 91 Ų | 91 | 105.8 Ų | 105.8 | 49% | 0.487 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 178.7 | -70.7 | -15.5 | 0 | 0 | 0 | 109.9 | L38 L45 D46 | L38-D42 WeakPolarHBondContact O-CB 3.1Å; L38-D42 PolarHBondContact O-N 2.87Å; D42-L45 PolarHBondContact O-N 3.49Å; D42-D46 WeakPolarHBondContact O-CB 3.36Å; D42-D46 PolarHBondContact O-N 3.03Å |
| 43 | K | 69.9 | Low | 72.9 | Confident | 87 Ų | 87 | 114.5 Ų | 114.5 | 38% | 0.378 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.7 | -53.8 | 169.6 | -72.8 | 169.7 | 179.7 | -61.4 | 0 | 109.7 | E39 K41 L45 D46 T47 | E39-K43 WeakPolarHBondContact O-CA 3.46Å; E39-K43 WeakPolarHBondContact O-CB 3.42Å; E39-K43 WeakPolarHBondContact O-CD 3.45Å; E39-K43 WeakPolarHBondContact O-CG 3.26Å; E39-K43 PolarHBondContact O-N 3.35Å; K41-K43 VanDerWaalsContact C-N 3.32Å; K43-L45 PolarHBondContact O-N 2.98Å; K43-D46 CarbonylContact O-C 3.51Å; K43-D46 PolarHBondContact O-N 2.81Å; K43-T47 VanDerWaalsContact C-OG1 3.31Å; K43-T47 WeakPolarHBondContact CA-OG1 3.26Å; K43-T47 WeakPolarHBondContact O-CA 3.31Å; K43-T47 WeakPolarHBondContact O-CB 3.41Å; K43-T47 PolarHBondContact O-N 3.46Å; K43-T47 PolarHBondContact O-OG1 3.28Å |
| 44 | M | 65.8 | Low | 72 | Confident | 160 Ų | 160 | 116.3 Ų | 116.3 | 79% | 0.788 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -54.9 | -34.9 | -178.4 | -164.7 | 173.7 | -168.7 | 0 | 0 | 113.1 | A40 K41 | A40-M44 WeakPolarHBondContact O-CB 3.41Å; A40-M44 PolarHBondContact O-N 3.32Å; K41-M44 PolarHBondContact O-N 3.21Å; K41-M44 VanDerWaalsContact O-N 3.16Å |
| 45 | L | 66.1 | Low | 71.1 | Confident | 133 Ų | 133 | 119.5 Ų | 119.5 | 70% | 0.696 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.1 | -50.9 | 171.5 | -75.3 | 158.6 | 0 | 0 | 0 | 112.4 | K41 D42 K43 | K41-L45 WeakPolarHBondContact O-CG 3.28Å; K41-L45 PolarHBondContact O-N 3.41Å; D42-L45 PolarHBondContact O-N 3.49Å; K43-L45 PolarHBondContact O-N 2.98Å |
| 46 | D | 61.5 | Low | 70.5 | Confident | 134 Ų | 134 | 114.9 Ų | 114.9 | 72% | 0.717 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -77.2 | -20.7 | -178.3 | -75.9 | -22.1 | 0 | 0 | 0 | 114.2 | D42 K43 | D42-D46 WeakPolarHBondContact O-CB 3.36Å; D42-D46 PolarHBondContact O-N 3.03Å; K43-D46 CarbonylContact O-C 3.51Å; K43-D46 PolarHBondContact O-N 2.81Å |
| 47 | T | 56.2 | Low | 70.3 | Confident | 22 Ų | 22 | 110.8 Ų | 110.8 | 14% | 0.135 | 56% | 0.559 | C | S | . | * | trans | -108.2 | 1.6 | -160.3 | -59.9 | 0 | 0 | 0 | 0 | 113.1 | K43 T49 R50 Q51 | K43-T47 VanDerWaalsContact C-OG1 3.31Å; K43-T47 WeakPolarHBondContact CA-OG1 3.26Å; K43-T47 WeakPolarHBondContact O-CA 3.31Å; K43-T47 WeakPolarHBondContact O-CB 3.41Å; K43-T47 PolarHBondContact O-N 3.46Å; K43-T47 PolarHBondContact O-OG1 3.28Å; T47-T49 PolarHBondContact O-N 2.94Å; T47-R50 PolarHBondContact O-N 2.89Å; T47-Q51 HydrophobicContact CG2-CB 3.05Å; T47-Q51 HydrophobicContact CG2-CG 4.35Å; T47-Q51 VanDerWaalsContact CG2-N 3.29Å | ||
| 48 | S | 56.3 | Low | 70.2 | Confident | 108 Ų | 108 | 109.5 Ų | 109.5 | 76% | 0.755 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.7 | -29 | 164.5 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | ||
| 49 | T | 56 | Low | 70.1 | Confident | 131 Ų | 131 | 110 Ų | 110 | 80% | 0.804 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -23.2 | -177.9 | -34.8 | 0 | 0 | 0 | 0 | 117.3 | T47 | T47-T49 PolarHBondContact O-N 2.94Š|
| 50 | R | 57.5 | Low | 70.2 | Confident | 227 Ų | 227 | 107.7 Ų | 107.7 | 86% | 0.857 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.3 | -37.7 | -158.8 | -138.6 | 169.7 | 176.7 | 124.5 | -2.7 | 120.6 | T47 | T47-R50 PolarHBondContact O-N 2.89Š|
| 51 | Q | 58.9 | Low | 70.5 | Confident | 57 Ų | 57 | 111.1 Ų | 111.1 | 27% | 0.266 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.9 | -8.5 | -171 | -147.6 | -172.6 | -84.9 | 0 | 0 | 113.4 | T47 R53 W55 | T47-Q51 HydrophobicContact CG2-CB 3.05Å; T47-Q51 HydrophobicContact CG2-CG 4.35Å; T47-Q51 VanDerWaalsContact CG2-N 3.29Å; Q51-R53 PolarHBondContact O-N 3.4Å; Q51-W55 VanDerWaalsContact NE2-NE1 3.16Å |
| 52 | T | 59.9 | Low | 71 | Confident | 85 Ų | 85 | 110.7 Ų | 110.7 | 52% | 0.521 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.5 | -27 | 179.3 | -54.6 | 0 | 0 | 0 | 0 | 112.2 | T56 | T52-T56 WeakPolarHBondContact O-CB 3.28Å; T52-T56 PolarHBondContact O-N 3.22Å; T52-T56 VanDerWaalsContact O-N 3.09Å; T52-T56 PolarHBondContact O-OG1 3.04Å |
| 53 | R | 63.7 | Low | 71.6 | Confident | 223 Ų | 223 | 113.6 Ų | 113.6 | 84% | 0.842 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.1 | -44.5 | -175 | -160.3 | 169 | -177.7 | 128.5 | -1.3 | 113 | Q51 | Q51-R53 PolarHBondContact O-N 3.4Å |
| 54 | D | 72.5 | Confident | 72.6 | Confident | 120 Ų | 120 | 113.8 Ų | 113.8 | 64% | 0.642 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -74.7 | -40.1 | -179 | -64.2 | -26.1 | 0 | 0 | 0 | 111.8 | T56 G57 L58 | D54-T56 VanDerWaalsContact C-N 3.29Å; D54-T56 PolarHBondContact O-N 2.85Å; D54-G57 PolarHBondContact O-N 3.32Å; D54-L58 PolarHBondContact O-N 3.33Å |
| 55 | W | 72.6 | Confident | 73.7 | Confident | 151 Ų | 151 | 109.1 Ų | 109.1 | 57% | 0.572 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.5 | -36.6 | 176.9 | -88.4 | 77.2 | 0 | 0 | 0 | 112.5 | Q51 G57 L58 I59 | Q51-W55 VanDerWaalsContact NE2-NE1 3.16Å; W55-G57 VanDerWaalsContact C-N 3.34Å; W55-G57 PolarHBondContact O-N 2.8Å; W55-L58 PolarHBondContact O-N 2.85Å; W55-I59 HydrophobicContact CB-CD1 4.49Å; W55-I59 HydrophobicContact CE3-CD1 4.2Å; W55-I59 HydrophobicContact CE3-CG1 4.43Å; W55-I59 WeakPolarHBondContact O-CB 3.35Å; W55-I59 WeakPolarHBondContact O-CD1 3.32Å; W55-I59 WeakPolarHBondContact O-CG1 3.42Å; W55-I59 PolarHBondContact O-N 3.43Å |
| 56 | T | 77.1 | Confident | 74.8 | Confident | 73 Ų | 73 | 109.3 Ų | 109.3 | 45% | 0.448 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.9 | -39.8 | 179.4 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | T52 D54 S60 | T52-T56 WeakPolarHBondContact O-CB 3.28Å; T52-T56 PolarHBondContact O-N 3.22Å; T52-T56 VanDerWaalsContact O-N 3.09Å; T52-T56 PolarHBondContact O-OG1 3.04Å; D54-T56 VanDerWaalsContact C-N 3.29Å; D54-T56 PolarHBondContact O-N 2.85Å; T56-S60 VanDerWaalsContact O-CB 3.32Å; T56-S60 WeakPolarHBondContact O-CB 3.34Å; T56-S60 PolarHBondContact O-N 2.84Å; T56-S60 PolarHBondContact O-OG 2.92Å |
| 57 | G | 83.4 | Confident | 76.2 | Confident | 34 Ų | 34 | 111 Ų | 111 | 35% | 0.351 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.6 | -43.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D54 W55 S60 Q61 | D54-G57 PolarHBondContact O-N 3.32Å; W55-G57 VanDerWaalsContact C-N 3.34Å; W55-G57 PolarHBondContact O-N 2.8Å; G57-S60 PolarHBondContact O-N 2.86Å; G57-Q61 WeakPolarHBondContact O-CG 3.49Å; G57-Q61 PolarHBondContact O-N 3.4Å |
| 58 | L | 83.9 | Confident | 77.7 | Confident | 103 Ų | 103 | 115.8 Ų | 115.8 | 54% | 0.539 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.8 | -46.3 | 176.7 | -66.4 | 177.2 | 0 | 0 | 0 | 112.2 | D54 W55 S60 Q61 V62 | D54-L58 PolarHBondContact O-N 3.33Å; W55-L58 PolarHBondContact O-N 2.85Å; L58-S60 PolarHBondContact O-N 3.34Å; L58-Q61 PolarHBondContact O-N 2.98Å; L58-V62 WeakPolarHBondContact O-CB 3.19Å; L58-V62 VanDerWaalsContact O-CG2 3.29Å; L58-V62 WeakPolarHBondContact O-CG2 3.08Å; L58-V62 PolarHBondContact O-N 2.83Å |
| 59 | I | 85.2 | Confident | 79 | Confident | 95 Ų | 95 | 112.2 Ų | 112.2 | 49% | 0.487 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -58.3 | -39.8 | 175.6 | -70.6 | 166 | 0 | 0 | 0 | 110.2 | W55 K63 | W55-I59 HydrophobicContact CB-CD1 4.49Å; W55-I59 HydrophobicContact CE3-CD1 4.2Å; W55-I59 HydrophobicContact CE3-CG1 4.43Å; W55-I59 WeakPolarHBondContact O-CB 3.35Å; W55-I59 WeakPolarHBondContact O-CD1 3.32Å; W55-I59 WeakPolarHBondContact O-CG1 3.42Å; W55-I59 PolarHBondContact O-N 3.43Å; I59-K63 WeakPolarHBondContact O-CB 3.06Å; I59-K63 PolarHBondContact O-N 3.35Å |
| 60 | S | 87.1 | Confident | 80.3 | Confident | 63 Ų | 63 | 110.9 Ų | 110.9 | 44% | 0.441 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 178.2 | -60.3 | 0 | 0 | 0 | 0 | 112 | T56 G57 L58 K63 E64 | T56-S60 VanDerWaalsContact O-CB 3.32Å; T56-S60 WeakPolarHBondContact O-CB 3.34Å; T56-S60 PolarHBondContact O-N 2.84Å; T56-S60 PolarHBondContact O-OG 2.92Å; G57-S60 PolarHBondContact O-N 2.86Å; L58-S60 PolarHBondContact O-N 3.34Å; S60-K63 PolarHBondContact O-N 3.38Å; S60-E64 WeakPolarHBondContact O-CB 3.46Å; S60-E64 PolarHBondContact O-N 3.27Å |
| 61 | Q | 89.6 | Confident | 81.4 | Confident | 130 Ų | 130 | 103 Ų | 103 | 61% | 0.607 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.5 | -44.4 | 175.7 | -73.3 | 176.9 | 64.9 | 0 | 0 | 112.2 | G57 L58 E64 A65 | G57-Q61 WeakPolarHBondContact O-CG 3.49Å; G57-Q61 PolarHBondContact O-N 3.4Å; L58-Q61 PolarHBondContact O-N 2.98Å; Q61-E64 PolarHBondContact O-N 3.44Å; Q61-A65 WeakPolarHBondContact O-CB 3.08Å; Q61-A65 PolarHBondContact O-N 2.84Å |
| 62 | V | 88.4 | Confident | 82.3 | Confident | 97 Ų | 97 | 107 Ų | 107 | 59% | 0.588 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.3 | -44.9 | 176.1 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | L58 E64 A65 F66 | L58-V62 WeakPolarHBondContact O-CB 3.19Å; L58-V62 VanDerWaalsContact O-CG2 3.29Å; L58-V62 WeakPolarHBondContact O-CG2 3.08Å; L58-V62 PolarHBondContact O-N 2.83Å; V62-E64 VanDerWaalsContact C-N 3.29Å; V62-E64 PolarHBondContact O-N 3.23Å; V62-A65 PolarHBondContact O-N 3.39Å; V62-F66 WeakPolarHBondContact O-CB 3.42Å; V62-F66 PolarHBondContact O-N 3.42Å |
| 63 | K | 91.5 | Very high | 82.9 | Confident | 152 Ų | 152 | 108.5 Ų | 108.5 | 66% | 0.661 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.1 | -40.6 | 175.9 | -179.6 | -179.8 | 178 | -177.7 | 0 | 111.3 | I59 S60 R67 | I59-K63 WeakPolarHBondContact O-CB 3.06Å; I59-K63 PolarHBondContact O-N 3.35Å; S60-K63 PolarHBondContact O-N 3.38Å; K63-R67 WeakPolarHBondContact O-CB 3.29Å; K63-R67 PolarHBondContact O-N 2.79Å |
| 64 | E | 91.3 | Very high | 83.2 | Confident | 91 Ų | 91 | 105.4 Ų | 105.4 | 43% | 0.425 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.2 | -45.7 | 178 | -164.9 | -178 | 159.5 | 0 | 0 | 112.1 | S60 Q61 V62 F66 R67 K68 | S60-E64 WeakPolarHBondContact O-CB 3.46Å; S60-E64 PolarHBondContact O-N 3.27Å; Q61-E64 PolarHBondContact O-N 3.44Å; V62-E64 VanDerWaalsContact C-N 3.29Å; V62-E64 PolarHBondContact O-N 3.23Å; E64-F66 VanDerWaalsContact C-N 3.35Å; E64-R67 PolarHBondContact O-N 2.72Å; E64-K68 WeakPolarHBondContact O-CB 3.29Å; E64-K68 WeakPolarHBondContact O-CG 3.19Å; E64-K68 PolarHBondContact O-N 2.8Å; E64-K68 VanDerWaalsContact OE1-CE 3.26Å; E64-K68 WeakPolarHBondContact OE1-CE 3.33Å; E64-K68 IonicContact OE1-NZ 2.75Å; E64-K68 PolarHBondContact OE1-NZ 2.89Å |
| 65 | A | 88.2 | Confident | 82.9 | Confident | 63 Ų | 63 | 108.4 Ų | 108.4 | 52% | 0.521 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.3 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q61 V62 K68 G69 | Q61-A65 WeakPolarHBondContact O-CB 3.08Å; Q61-A65 PolarHBondContact O-N 2.84Å; V62-A65 PolarHBondContact O-N 3.39Å; A65-K68 PolarHBondContact O-N 3.3Å; A65-G69 PolarHBondContact O-N 2.78Å |
| 66 | F | 89.8 | Confident | 82.2 | Confident | 137 Ų | 137 | 109 Ų | 109 | 60% | 0.601 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.9 | -40.2 | 177.2 | -160.8 | -96.1 | 0 | 0 | 0 | 111.6 | V62 E64 G69 M70 | V62-F66 WeakPolarHBondContact O-CB 3.42Å; V62-F66 PolarHBondContact O-N 3.42Å; E64-F66 VanDerWaalsContact C-N 3.35Å; F66-G69 PolarHBondContact O-N 2.78Å; F66-M70 HydrophobicContact CD1-CG 4.16Å; F66-M70 HydrophobicContact CE1-CE 3.94Å; F66-M70 HydrophobicContact CE1-CG 3.92Å; F66-M70 HydrophobicContact CZ-CE 4.35Å; F66-M70 VanDerWaalsContact O-CB 3.3Å; F66-M70 WeakPolarHBondContact O-CB 3.44Å; F66-M70 PolarHBondContact O-N 2.68Å |
| 67 | R | 90.3 | Very high | 81.2 | Confident | 168 Ų | 168 | 110.6 Ų | 110.6 | 63% | 0.634 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.5 | -46.5 | 173.2 | -174.2 | 172.3 | 69.6 | 150.5 | 0.6 | 111.1 | K63 E64 S71 | K63-R67 WeakPolarHBondContact O-CB 3.29Å; K63-R67 PolarHBondContact O-N 2.79Å; E64-R67 PolarHBondContact O-N 2.72Å; R67-S71 WeakPolarHBondContact O-CB 3.42Å; R67-S71 PolarHBondContact O-N 3.09Å; R67-S71 PolarHBondContact O-OG 3.19Å; R67-S71 VanDerWaalsContact O-OG 3.05Å |
| 68 | K | 87.9 | Confident | 80.2 | Confident | 124 Ų | 124 | 114.7 Ų | 114.7 | 54% | 0.539 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.5 | -47.6 | 175.2 | -74.6 | 176.6 | -174.9 | 166.4 | 0 | 111.1 | E64 A65 S71 E72 | E64-K68 WeakPolarHBondContact O-CB 3.29Å; E64-K68 WeakPolarHBondContact O-CG 3.19Å; E64-K68 PolarHBondContact O-N 2.8Å; E64-K68 VanDerWaalsContact OE1-CE 3.26Å; E64-K68 WeakPolarHBondContact OE1-CE 3.33Å; E64-K68 IonicContact OE1-NZ 2.75Å; E64-K68 PolarHBondContact OE1-NZ 2.89Å; A65-K68 PolarHBondContact O-N 3.3Å; K68-S71 PolarHBondContact O-N 3.14Å; K68-E72 WeakPolarHBondContact O-CB 3.4Å; K68-E72 PolarHBondContact O-N 2.69Å |
| 69 | G | 85.2 | Confident | 78.8 | Confident | 33 Ų | 33 | 119 Ų | 119 | 34% | 0.34 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -61.8 | -46.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A65 F66 S71 E72 V73 | A65-G69 PolarHBondContact O-N 2.78Å; F66-G69 PolarHBondContact O-N 2.78Å; G69-S71 PolarHBondContact O-N 3.35Å; G69-E72 PolarHBondContact O-N 3.07Å; G69-V73 WeakPolarHBondContact O-CB 3.42Å; G69-V73 VanDerWaalsContact O-CG2 3.25Å; G69-V73 WeakPolarHBondContact O-CG2 3.49Å; G69-V73 PolarHBondContact O-N 3.16Å |
| 70 | M | 82.2 | Confident | 78.5 | Confident | 103 Ų | 103 | 120.3 Ų | 120.3 | 51% | 0.507 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -62 | -40.3 | 174.1 | -92.2 | -87.7 | -157.2 | 0 | 0 | 112.4 | F66 Q74 | F66-M70 HydrophobicContact CD1-CG 4.16Å; F66-M70 HydrophobicContact CE1-CE 3.94Å; F66-M70 HydrophobicContact CE1-CG 3.92Å; F66-M70 HydrophobicContact CZ-CE 4.35Å; F66-M70 VanDerWaalsContact O-CB 3.3Å; F66-M70 WeakPolarHBondContact O-CB 3.44Å; F66-M70 PolarHBondContact O-N 2.68Å; M70-Q74 WeakPolarHBondContact O-CG 2.74Å; M70-Q74 PolarHBondContact O-N 2.62Å; M70-Q74 VanDerWaalsContact O-N 3.11Å; M70-Q74 PolarHBondContact O-NE2 2.83Å |
| 71 | S | 81.2 | Confident | 78.1 | Confident | 62 Ų | 62 | 123.3 Ų | 123.3 | 43% | 0.434 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -67.8 | -37.3 | 175.5 | -67.8 | 0 | 0 | 0 | 0 | 112.1 | R67 K68 G69 Q74 K75 | R67-S71 WeakPolarHBondContact O-CB 3.42Å; R67-S71 PolarHBondContact O-N 3.09Å; R67-S71 PolarHBondContact O-OG 3.19Å; R67-S71 VanDerWaalsContact O-OG 3.05Å; K68-S71 PolarHBondContact O-N 3.14Å; G69-S71 PolarHBondContact O-N 3.35Å; S71-Q74 PolarHBondContact O-N 2.99Å; S71-K75 WeakPolarHBondContact O-CB 3.21Å; S71-K75 PolarHBondContact O-N 3.19Å |
| 72 | E | 77.6 | Confident | 77.4 | Confident | 139 Ų | 139 | 122.9 Ų | 122.9 | 65% | 0.65 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.4 | -39.2 | 179 | -161.7 | 131.3 | 109.1 | 0 | 0 | 112 | K68 G69 Q74 K75 K76 | K68-E72 WeakPolarHBondContact O-CB 3.4Å; K68-E72 PolarHBondContact O-N 2.69Å; G69-E72 PolarHBondContact O-N 3.07Å; E72-Q74 VanDerWaalsContact C-N 3.26Å; E72-Q74 PolarHBondContact O-N 3.33Å; E72-K75 PolarHBondContact O-N 2.92Å; E72-K75 VanDerWaalsContact O-N 3.13Å; E72-K76 PolarHBondContact O-N 2.79Å |
| 73 | V | 71.8 | Confident | 76.8 | Confident | 117 Ų | 117 | 124.4 Ų | 124.4 | 71% | 0.709 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -63 | -34 | 171.7 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | G69 | G69-V73 WeakPolarHBondContact O-CB 3.42Å; G69-V73 VanDerWaalsContact O-CG2 3.25Å; G69-V73 WeakPolarHBondContact O-CG2 3.49Å; G69-V73 PolarHBondContact O-N 3.16Å |
| 74 | Q | 69.5 | Low | 75.8 | Confident | 158 Ų | 158 | 122.7 Ų | 122.7 | 74% | 0.738 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -74.2 | -28.4 | 172.7 | -78.8 | 180 | 75.5 | 0 | 0 | 113.6 | M70 S71 E72 | M70-Q74 WeakPolarHBondContact O-CG 2.74Å; M70-Q74 PolarHBondContact O-N 2.62Å; M70-Q74 VanDerWaalsContact O-N 3.11Å; M70-Q74 PolarHBondContact O-NE2 2.83Å; S71-Q74 PolarHBondContact O-N 2.99Å; E72-Q74 VanDerWaalsContact C-N 3.26Å; E72-Q74 PolarHBondContact O-N 3.33Å |
| 75 | K | 66.9 | Low | 74.8 | Confident | 183 Ų | 183 | 124.8 Ų | 124.8 | 80% | 0.796 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -88.9 | -22.9 | -175.3 | -109.3 | -172.8 | 178.7 | -174.9 | 0 | 115 | S71 E72 P77 | S71-K75 WeakPolarHBondContact O-CB 3.21Å; S71-K75 PolarHBondContact O-N 3.19Å; E72-K75 PolarHBondContact O-N 2.92Å; E72-K75 VanDerWaalsContact O-N 3.13Å; K75-P77 WeakPolarHBondContact O-CD 3.38Å |
| 76 | K | 58 | Low | 73.9 | Confident | 164 Ų | 164 | 129.2 Ų | 129.2 | 71% | 0.713 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -76.9 | 107.5 | 169.2 | -94 | -171.2 | 179.3 | -178.3 | 0 | 108.4 | E72 | E72-K76 PolarHBondContact O-N 2.79Š|
| 77 | P | 56.5 | Low | 72.6 | Confident | 107 Ų | 107 | 128.6 Ų | 128.6 | 70% | 0.695 | 68% | 0.676 | S | S | * | * | trans | -58.2 | 137.3 | 161.2 | 27.8 | -32.9 | 0 | 0 | 0 | 107.4 | K75 | K75-P77 WeakPolarHBondContact O-CD 3.38Š| ||
| 78 | P | 62.4 | Low | 71.2 | Confident | 119 Ų | 119 | 125.3 Ų | 125.3 | 77% | 0.773 | 68% | 0.68 | S | S | * | * | trans | -62.4 | 133.2 | -177.3 | 26.2 | -33.4 | 0 | 0 | 0 | 109.9 | ||||
| 79 | P | 54.9 | Low | 69.7 | Low | 195 Ų | 195 | 125.5 Ų | 125.5 | 100% | 1.266 | 69% | 0.693 | S | S | * | * | trans | -71.1 | 0 | 151.5 | 32.5 | -32.3 | 0 | 0 | 0 | 110.9 |
Retrieved 79 of 79 residues in 252.6 ms
(Link to these results)