| 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 | 25.5 | Very low | 37.5 | Very low | 220 Ų | 220 | 129.5 Ų | 129.5 | 100% | 1.084 | 66% | 0.657 | S | S | * | * | 0 | 86.7 | 0 | -158.6 | 91.2 | 150.7 | 0 | 0 | 108.3 | I3 | M1-I3 HydrophobicContact CE-CD1 3.96Å; M1-I3 HydrophobicContact CG-CD1 3.85Å; M1-I3 HydrophobicContact CG-CG1 4.3Å; M1-I3 HydrophobicContact SD-CD1 3.93Å | |||
| 2 | A | 28.1 | Very low | 38.8 | Very low | 110 Ų | 110 | 127 Ų | 127 | 91% | 0.909 | 65% | 0.645 | S | S | * | * | trans | -104.3 | 81.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 3 | I | 31.1 | Very low | 40 | Very low | 116 Ų | 116 | 121.5 Ų | 121.5 | 60% | 0.595 | 62% | 0.617 | S | S | * | * | trans | -121 | 127.1 | -176.3 | -57.3 | 171.8 | 0 | 0 | 0 | 107.2 | M1 | M1-I3 HydrophobicContact CE-CD1 3.96Å; M1-I3 HydrophobicContact CG-CD1 3.85Å; M1-I3 HydrophobicContact CG-CG1 4.3Å; M1-I3 HydrophobicContact SD-CD1 3.93Å | ||
| 4 | T | 35.1 | Very low | 40.9 | Very low | 102 Ų | 102 | 120.2 Ų | 120.2 | 63% | 0.626 | 61% | 0.612 | S | S | * | * | trans | 67.4 | 75.5 | 164.5 | 22 | 0 | 0 | 0 | 0 | 117.4 | I7 | T4-I7 HydrophobicContact CG2-CD1 4.12Š| ||
| 5 | K | 33.9 | Very low | 41.7 | Very low | 164 Ų | 164 | 121.5 Ų | 121.5 | 71% | 0.713 | 61% | 0.612 | S | S | * | * | trans | -128.6 | 4.6 | 148.6 | -74.7 | -150.1 | 175.7 | -176.6 | 0 | 114.7 | I7 Y9 | K5-I7 PolarHBondContact O-N 3.34Å; K5-Y9 HydrophobicContact CB-CE2 4.33Å; K5-Y9 WeakPolarHBondContact O-CD2 3.23Å; K5-Y9 WeakPolarHBondContact O-CE2 3.38Å | ||
| 6 | T | 40 | Very low | 42.7 | Very low | 101 Ų | 101 | 119.1 Ų | 119.1 | 62% | 0.62 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70 | -30.2 | -177.9 | -28.2 | 0 | 0 | 0 | 0 | 113.1 | H8 Y9 | T6-H8 VanDerWaalsContact C-N 3.35Å; T6-H8 PolarHBondContact O-N 3.45Å; T6-Y9 PolarHBondContact O-N 3.45Å |
| 7 | I | 35.4 | Very low | 43.5 | Very low | 114 Ų | 114 | 113.3 Ų | 113.3 | 59% | 0.585 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -72.2 | -21.4 | -168.4 | -59.9 | 173.1 | 0 | 0 | 0 | 113.8 | T4 K5 | T4-I7 HydrophobicContact CG2-CD1 4.12Å; K5-I7 PolarHBondContact O-N 3.34Å |
| 8 | H | 40.6 | Very low | 44 | Very low | 144 Ų | 144 | 118 Ų | 118 | 67% | 0.667 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -86.9 | -25.9 | -179.7 | -79.8 | -85.7 | 0 | 0 | 0 | 114 | T6 I12 | T6-H8 VanDerWaalsContact C-N 3.35Å; T6-H8 PolarHBondContact O-N 3.45Å; H8-I12 WeakPolarHBondContact O-CD1 3.19Å; H8-I12 WeakPolarHBondContact O-CG1 3.21Å; H8-I12 PolarHBondContact O-N 3.41Å |
| 9 | Y | 47.6 | Very low | 44.3 | Very low | 106 Ų | 106 | 121.7 Ų | 121.7 | 42% | 0.416 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -77.7 | -38.5 | -175.9 | -63 | -74 | 0 | 0 | 0 | 112.7 | K5 T6 R11 I12 L13 G62 | K5-Y9 HydrophobicContact CB-CE2 4.33Å; K5-Y9 WeakPolarHBondContact O-CD2 3.23Å; K5-Y9 WeakPolarHBondContact O-CE2 3.38Å; T6-Y9 PolarHBondContact O-N 3.45Å; Y9-R11 PolarHBondContact O-N 3.21Å; Y9-I12 PolarHBondContact O-N 2.94Å; Y9-L13 WeakPolarHBondContact O-CB 3.33Å; Y9-L13 PolarHBondContact O-N 3.03Å; Y9-G62 WeakPolarHBondContact CE1-O 3.02Å; Y9-G62 PolarHBondContact OH-O 3.13Å |
| 10 | D | 49.9 | Very low | 44.8 | Very low | 50 Ų | 50 | 119 Ų | 119 | 27% | 0.267 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -58.4 | -40.2 | 179.3 | -69.9 | -39.1 | 0 | 0 | 0 | 111.3 | L14 L34 | D10-L14 WeakPolarHBondContact O-CB 3.19Å; D10-L14 VanDerWaalsContact O-CD1 3.24Å; D10-L14 WeakPolarHBondContact O-CD1 3.33Å; D10-L14 PolarHBondContact O-N 3.1Å; D10-L34 WeakPolarHBondContact OD1-CD2 3.45Å |
| 11 | R | 45 | Very low | 44.9 | Very low | 198 Ų | 198 | 115.8 Ų | 115.8 | 75% | 0.747 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69 | -42.6 | 177.6 | -70.2 | -169.7 | 172.3 | -171.8 | -1.1 | 112.8 | Y9 L13 F15 | Y9-R11 PolarHBondContact O-N 3.21Å; R11-L13 VanDerWaalsContact C-N 3.35Å; R11-F15 VanDerWaalsContact O-CB 3.25Å; R11-F15 WeakPolarHBondContact O-CB 3.29Å; R11-F15 PolarHBondContact O-N 3.38Å |
| 12 | I | 53.8 | Low | 46.2 | Very low | 99 Ų | 99 | 106.7 Ų | 106.7 | 51% | 0.508 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.8 | -41.4 | -179.6 | -67.1 | 167.5 | 0 | 0 | 0 | 110.3 | H8 Y9 F15 F16 | H8-I12 WeakPolarHBondContact O-CD1 3.19Å; H8-I12 WeakPolarHBondContact O-CG1 3.21Å; H8-I12 PolarHBondContact O-N 3.41Å; Y9-I12 PolarHBondContact O-N 2.94Å; I12-F15 PolarHBondContact O-N 2.95Å; I12-F16 WeakPolarHBondContact O-CB 3.38Å; I12-F16 PolarHBondContact O-N 3.48Å |
| 13 | L | 54.2 | Low | 47.4 | Very low | 55 Ų | 55 | 110.4 Ų | 110.4 | 29% | 0.288 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73.4 | -40 | -178 | -163.2 | 61.3 | 0 | 0 | 0 | 111.6 | Y9 R11 F15 F16 F17 L34 | Y9-L13 WeakPolarHBondContact O-CB 3.33Å; Y9-L13 PolarHBondContact O-N 3.03Å; R11-L13 VanDerWaalsContact C-N 3.35Å; L13-F15 VanDerWaalsContact C-N 3.31Å; L13-F15 PolarHBondContact O-N 3.13Å; L13-F16 PolarHBondContact O-N 2.87Å; L13-F17 HydrophobicContact CD1-CD2 4.42Å; L13-F17 HydrophobicContact CD1-CE2 3.88Å; L13-F17 HydrophobicContact CD2-CE2 4.28Å; L13-F17 HydrophobicContact CG-CD2 4.06Å; L13-F17 HydrophobicContact CG-CE2 3.68Å; L13-F17 WeakPolarHBondContact O-CD2 3.15Å; L13-F17 PolarHBondContact O-N 2.88Å; L13-L34 HydrophobicContact CB-CD1 4.23Å; L13-L34 HydrophobicContact CB-CD2 4.5Å; L13-L34 HydrophobicContact CD2-CD1 3.48Å; L13-L34 VanDerWaalsContact CD2-CD1 3.48Å; L13-L34 HydrophobicContact CD2-CD2 3.7Å; L13-L34 HydrophobicContact CD2-CG 4.01Å; L13-L34 HydrophobicContact CG-CD1 3.68Å; L13-L34 HydrophobicContact CG-CD2 4.46Å |
| 14 | L | 52.6 | Low | 48.4 | Very low | 104 Ų | 104 | 108.2 Ų | 108.2 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 168.2 | -102.6 | 99.9 | 0 | 0 | 0 | 111.6 | D10 F16 F17 Y18 | D10-L14 WeakPolarHBondContact O-CB 3.19Å; D10-L14 VanDerWaalsContact O-CD1 3.24Å; D10-L14 WeakPolarHBondContact O-CD1 3.33Å; D10-L14 PolarHBondContact O-N 3.1Å; L14-F16 VanDerWaalsContact C-N 3.33Å; L14-F16 PolarHBondContact O-N 3.48Å; L14-F17 PolarHBondContact O-N 3.27Å; L14-Y18 WeakPolarHBondContact O-CB 3.46Å; L14-Y18 PolarHBondContact O-N 2.85Å |
| 15 | F | 53.4 | Low | 49.1 | Very low | 139 Ų | 139 | 113.1 Ų | 113.1 | 61% | 0.61 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.7 | -39 | 179 | -160.3 | -92.8 | 0 | 0 | 0 | 111.5 | R11 I12 L13 Y18 Y19 | R11-F15 VanDerWaalsContact O-CB 3.25Å; R11-F15 WeakPolarHBondContact O-CB 3.29Å; R11-F15 PolarHBondContact O-N 3.38Å; I12-F15 PolarHBondContact O-N 2.95Å; L13-F15 VanDerWaalsContact C-N 3.31Å; L13-F15 PolarHBondContact O-N 3.13Å; F15-Y18 PolarHBondContact O-N 3.31Å; F15-Y19 HydrophobicContact CE1-CD2 4.42Å; F15-Y19 WeakPolarHBondContact O-CB 3.19Å; F15-Y19 PolarHBondContact O-N 3.09Å |
| 16 | F | 57.6 | Low | 49.9 | Very low | 84 Ų | 84 | 107.7 Ų | 107.7 | 37% | 0.368 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 175.6 | -174.1 | -97.1 | 0 | 0 | 0 | 112.1 | I12 L13 L14 Y19 T20 | I12-F16 WeakPolarHBondContact O-CB 3.38Å; I12-F16 PolarHBondContact O-N 3.48Å; L13-F16 PolarHBondContact O-N 2.87Å; L14-F16 VanDerWaalsContact C-N 3.33Å; L14-F16 PolarHBondContact O-N 3.48Å; F16-Y19 PolarHBondContact O-N 2.92Å; F16-T20 HydrophobicContact CD1-CG2 4.22Å; F16-T20 HydrophobicContact CD2-CG2 4.27Å; F16-T20 HydrophobicContact CE1-CG2 3.91Å; F16-T20 HydrophobicContact CE2-CG2 3.97Å; F16-T20 HydrophobicContact CG-CG2 4.39Å; F16-T20 HydrophobicContact CZ-CG2 3.78Å; F16-T20 WeakPolarHBondContact O-CB 3.36Å; F16-T20 VanDerWaalsContact O-CG2 3.29Å; F16-T20 WeakPolarHBondContact O-CG2 3.24Å; F16-T20 PolarHBondContact O-N 3.47Å; F16-T20 PolarHBondContact O-OG1 2.72Å |
| 17 | F | 56.3 | Low | 50.5 | Low | 20 Ų | 20 | 102.9 Ų | 102.9 | 9% | 0.088 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 176.5 | -76.1 | -57.2 | 0 | 0 | 0 | 112.6 | L13 L14 T20 G21 C27 A30 L34 | L13-F17 HydrophobicContact CD1-CD2 4.42Å; L13-F17 HydrophobicContact CD1-CE2 3.88Å; L13-F17 HydrophobicContact CD2-CE2 4.28Å; L13-F17 HydrophobicContact CG-CD2 4.06Å; L13-F17 HydrophobicContact CG-CE2 3.68Å; L13-F17 WeakPolarHBondContact O-CD2 3.15Å; L13-F17 PolarHBondContact O-N 2.88Å; L14-F17 PolarHBondContact O-N 3.27Å; F17-T20 PolarHBondContact O-OG1 3.32Å; F17-G21 PolarHBondContact O-N 2.92Å; F17-C27 HydrophobicContact CD1-CB 4.05Å; F17-C27 WeakPolarHBondContact CD1-SG 3.34Å; F17-C27 HydrophobicContact CE1-CB 4.11Å; F17-A30 HydrophobicContact CE1-CB 4.09Å; F17-A30 HydrophobicContact CE2-CB 3.6Å; F17-A30 HydrophobicContact CZ-CB 3.29Å; F17-L34 HydrophobicContact CD2-CD1 3.97Å; F17-L34 HydrophobicContact CE2-CD1 3.78Å |
| 18 | Y | 52.2 | Low | 51.3 | Low | 198 Ų | 198 | 105 Ų | 105 | 78% | 0.776 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.4 | -44.4 | 175 | -173.1 | -96.9 | 0 | 0 | 0 | 111.8 | L14 F15 | L14-Y18 WeakPolarHBondContact O-CB 3.46Å; L14-Y18 PolarHBondContact O-N 2.85Å; F15-Y18 PolarHBondContact O-N 3.31Å |
| 19 | Y | 49.6 | Very low | 52.1 | Low | 188 Ų | 188 | 102.9 Ų | 102.9 | 74% | 0.737 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -75.3 | -35.3 | -176.6 | -163.4 | -93.4 | 0 | 0 | 0 | 113.2 | F15 F16 G21 | F15-Y19 HydrophobicContact CE1-CD2 4.42Å; F15-Y19 WeakPolarHBondContact O-CB 3.19Å; F15-Y19 PolarHBondContact O-N 3.09Å; F16-Y19 PolarHBondContact O-N 2.92Å; Y19-G21 PolarHBondContact O-N 3.41Å |
| 20 | T | 53.5 | Low | 52.4 | Low | 67 Ų | 67 | 98.9 Ų | 98.9 | 41% | 0.411 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -76.4 | -7.7 | 179.3 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | F16 F17 C22 | F16-T20 HydrophobicContact CD1-CG2 4.22Å; F16-T20 HydrophobicContact CD2-CG2 4.27Å; F16-T20 HydrophobicContact CE1-CG2 3.91Å; F16-T20 HydrophobicContact CE2-CG2 3.97Å; F16-T20 HydrophobicContact CG-CG2 4.39Å; F16-T20 HydrophobicContact CZ-CG2 3.78Å; F16-T20 WeakPolarHBondContact O-CB 3.36Å; F16-T20 VanDerWaalsContact O-CG2 3.29Å; F16-T20 WeakPolarHBondContact O-CG2 3.24Å; F16-T20 PolarHBondContact O-N 3.47Å; F16-T20 PolarHBondContact O-OG1 2.72Å; F17-T20 PolarHBondContact O-OG1 3.32Å; T20-C22 PolarHBondContact O-N 3.39Å; T20-C22 VanDerWaalsContact O-N 3.1Å |
| 21 | G | 47.9 | Very low | 52.4 | Low | 52 Ų | 52 | 101.1 Ų | 101.1 | 54% | 0.536 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 31.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F17 Y19 K23 | F17-G21 PolarHBondContact O-N 2.92Å; Y19-G21 PolarHBondContact O-N 3.41Å; G21-K23 PolarHBondContact O-N 3.03Å |
| 22 | C | 53 | Low | 52.4 | Low | 30 Ų | 30 | 101 Ų | 101 | 20% | 0.203 | 48% | 0.478 | C | S | . | . | trans | -70.5 | 100.4 | -164.5 | -161.3 | 0 | 0 | 0 | 0 | 110.3 | T20 S24 C27 | T20-C22 PolarHBondContact O-N 3.39Å; T20-C22 VanDerWaalsContact O-N 3.1Å; C22-S24 PolarHBondContact O-N 3Å; C22-C27 HydrophobicContact CB-CB 3.64Å; C22-C27 VanDerWaalsContact O-CB 3.23Å; C22-C27 WeakPolarHBondContact O-CB 3.37Å; C22-C27 PolarHBondContact O-SG 2.83Å | ||
| 23 | K | 52.6 | Low | 52.1 | Low | 188 Ų | 188 | 98.1 Ų | 98.1 | 82% | 0.817 | 47% | 0.473 | S | S | * | . | trans | -80.1 | -3.1 | 178.8 | -69.5 | 178.6 | 176.8 | 173.3 | 0 | 113.7 | G21 | G21-K23 PolarHBondContact O-N 3.03Š| ||
| 24 | S | 53.1 | Low | 51.8 | Low | 70 Ų | 70 | 96.6 Ų | 96.6 | 49% | 0.49 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -67.5 | 145.9 | -174.5 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | C22 A26 C27 R28 | C22-S24 PolarHBondContact O-N 3Å; S24-A26 PolarHBondContact O-N 3.47Å; S24-A26 VanDerWaalsContact O-N 3.13Å; S24-C27 WeakPolarHBondContact O-CB 3.37Å; S24-C27 PolarHBondContact O-N 3.33Å; S24-R28 PolarHBondContact O-N 3.42Å |
| 25 | R | 48.3 | Very low | 51 | Low | 205 Ų | 205 | 98.8 Ų | 98.8 | 77% | 0.774 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -55 | -32.6 | 178.9 | -169.8 | 176.1 | -179.7 | 179.1 | -0.6 | 112.3 | R28 I29 | R25-R28 PolarHBondContact O-N 3.44Å; R25-I29 HydrophobicContact CG-CD1 4.35Å; R25-I29 WeakPolarHBondContact O-CG1 3.39Å; R25-I29 PolarHBondContact O-N 3.47Å; R25-I29 VanDerWaalsContact O-N 3.09Å |
| 26 | A | 51.4 | Low | 50.1 | Low | 49 Ų | 49 | 99.1 Ų | 99.1 | 41% | 0.405 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S24 I29 A30 | S24-A26 PolarHBondContact O-N 3.47Å; S24-A26 VanDerWaalsContact O-N 3.13Å; A26-I29 PolarHBondContact O-N 3.46Å; A26-A30 WeakPolarHBondContact O-CB 3.42Å; A26-A30 PolarHBondContact O-N 2.75Å |
| 27 | C | 53.6 | Low | 49.2 | Very low | 1 Ų | 1 | 96.9 Ų | 96.9 | 1% | 0.007 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 173.8 | 178.7 | 0 | 0 | 0 | 0 | 111 | F17 C22 S24 I29 A30 E31 | F17-C27 HydrophobicContact CD1-CB 4.05Å; F17-C27 WeakPolarHBondContact CD1-SG 3.34Å; F17-C27 HydrophobicContact CE1-CB 4.11Å; C22-C27 HydrophobicContact CB-CB 3.64Å; C22-C27 VanDerWaalsContact O-CB 3.23Å; C22-C27 WeakPolarHBondContact O-CB 3.37Å; C22-C27 PolarHBondContact O-SG 2.83Å; S24-C27 WeakPolarHBondContact O-CB 3.37Å; S24-C27 PolarHBondContact O-N 3.33Å; C27-I29 VanDerWaalsContact C-N 3.26Å; C27-I29 PolarHBondContact O-N 2.9Å; C27-A30 CarbonylContact O-C 3.6Å; C27-A30 PolarHBondContact O-N 2.83Å; C27-A30 VanDerWaalsContact O-N 3.15Å; C27-E31 WeakPolarHBondContact O-CB 3.47Å; C27-E31 WeakPolarHBondContact O-CG 3.4Å; C27-E31 PolarHBondContact O-N 2.91Å |
| 28 | R | 51.9 | Low | 48.2 | Very low | 158 Ų | 158 | 99.9 Ų | 99.9 | 60% | 0.596 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.7 | -32.7 | 175.6 | -85.1 | -174.8 | -85.4 | 178.9 | -8.7 | 113.5 | S24 R25 R32 | S24-R28 PolarHBondContact O-N 3.42Å; R25-R28 PolarHBondContact O-N 3.44Å; R28-R32 WeakPolarHBondContact O-CB 3.49Å; R28-R32 WeakPolarHBondContact O-CG 3.38Å; R28-R32 PolarHBondContact O-N 3.28Å |
| 29 | I | 56.1 | Low | 47.4 | Very low | 100 Ų | 100 | 96 Ų | 96 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.8 | -42.4 | 175.2 | -67.7 | 164.9 | 0 | 0 | 0 | 110.2 | R25 A26 C27 R32 G33 | R25-I29 HydrophobicContact CG-CD1 4.35Å; R25-I29 WeakPolarHBondContact O-CG1 3.39Å; R25-I29 PolarHBondContact O-N 3.47Å; R25-I29 VanDerWaalsContact O-N 3.09Å; A26-I29 PolarHBondContact O-N 3.46Å; C27-I29 VanDerWaalsContact C-N 3.26Å; C27-I29 PolarHBondContact O-N 2.9Å; I29-R32 PolarHBondContact O-N 3.29Å; I29-G33 PolarHBondContact O-N 2.79Å |
| 30 | A | 54 | Low | 46.4 | Very low | 21 Ų | 21 | 88.9 Ų | 88.9 | 17% | 0.174 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -66 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F17 A26 C27 R32 G33 L34 | F17-A30 HydrophobicContact CE1-CB 4.09Å; F17-A30 HydrophobicContact CE2-CB 3.6Å; F17-A30 HydrophobicContact CZ-CB 3.29Å; A26-A30 WeakPolarHBondContact O-CB 3.42Å; A26-A30 PolarHBondContact O-N 2.75Å; C27-A30 CarbonylContact O-C 3.6Å; C27-A30 PolarHBondContact O-N 2.83Å; C27-A30 VanDerWaalsContact O-N 3.15Å; A30-R32 VanDerWaalsContact C-N 3.32Å; A30-R32 PolarHBondContact O-N 3.26Å; A30-G33 PolarHBondContact O-N 3.22Å; A30-L34 WeakPolarHBondContact O-CB 3.25Å; A30-L34 WeakPolarHBondContact O-CD1 3.35Å; A30-L34 WeakPolarHBondContact O-CG 3.47Å; A30-L34 PolarHBondContact O-N 3.15Å |
| 31 | E | 50 | Low | 45.5 | Very low | 97 Ų | 97 | 91.5 Ų | 91.5 | 45% | 0.453 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.9 | -44.9 | 170.7 | -76 | -177.2 | 124 | 0 | 0 | 110.7 | C27 F35 | C27-E31 WeakPolarHBondContact O-CB 3.47Å; C27-E31 WeakPolarHBondContact O-CG 3.4Å; C27-E31 PolarHBondContact O-N 2.91Å; E31-F35 WeakPolarHBondContact O-CB 3.34Å; E31-F35 PolarHBondContact O-N 3.28Å |
| 32 | R | 45.4 | Very low | 44.7 | Very low | 195 Ų | 195 | 93.3 Ų | 93.3 | 74% | 0.736 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.8 | -40.6 | 175.1 | -86.1 | -178 | 159.7 | -177.7 | -5.7 | 113.4 | R28 I29 A30 F35 M36 | R28-R32 WeakPolarHBondContact O-CB 3.49Å; R28-R32 WeakPolarHBondContact O-CG 3.38Å; R28-R32 PolarHBondContact O-N 3.28Å; I29-R32 PolarHBondContact O-N 3.29Å; A30-R32 VanDerWaalsContact C-N 3.32Å; A30-R32 PolarHBondContact O-N 3.26Å; R32-F35 PolarHBondContact O-N 2.9Å; R32-M36 WeakPolarHBondContact O-CB 3.46Å; R32-M36 WeakPolarHBondContact O-CG 3.36Å; R32-M36 PolarHBondContact O-N 2.96Å |
| 33 | G | 47.3 | Very low | 43.7 | Very low | 39 Ų | 39 | 97.9 Ų | 97.9 | 40% | 0.402 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I29 A30 M36 S37 | I29-G33 PolarHBondContact O-N 2.79Å; A30-G33 PolarHBondContact O-N 3.22Å; G33-M36 PolarHBondContact O-N 3.01Å; G33-S37 PolarHBondContact O-N 3.01Å; G33-S37 PolarHBondContact O-OG 3.4Å |
| 34 | L | 47.3 | Very low | 43 | Very low | 23 Ų | 23 | 94.1 Ų | 94.1 | 12% | 0.12 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 174.4 | -77.3 | 157.5 | 0 | 0 | 0 | 112.3 | D10 L13 F17 A30 M36 S37 S38 | D10-L34 WeakPolarHBondContact OD1-CD2 3.45Å; L13-L34 HydrophobicContact CB-CD1 4.23Å; L13-L34 HydrophobicContact CB-CD2 4.5Å; L13-L34 HydrophobicContact CD2-CD1 3.48Å; L13-L34 VanDerWaalsContact CD2-CD1 3.48Å; L13-L34 HydrophobicContact CD2-CD2 3.7Å; L13-L34 HydrophobicContact CD2-CG 4.01Å; L13-L34 HydrophobicContact CG-CD1 3.68Å; L13-L34 HydrophobicContact CG-CD2 4.46Å; F17-L34 HydrophobicContact CD2-CD1 3.97Å; F17-L34 HydrophobicContact CE2-CD1 3.78Å; A30-L34 WeakPolarHBondContact O-CB 3.25Å; A30-L34 WeakPolarHBondContact O-CD1 3.35Å; A30-L34 WeakPolarHBondContact O-CG 3.47Å; A30-L34 PolarHBondContact O-N 3.15Å; L34-M36 VanDerWaalsContact C-N 3.32Å; L34-M36 PolarHBondContact O-N 3.03Å; L34-S37 PolarHBondContact O-N 3.31Å; L34-S38 PolarHBondContact O-N 3.1Å; L34-S38 VanDerWaalsContact O-N 3.1Å |
| 35 | F | 37.6 | Very low | 41.8 | Very low | 150 Ų | 150 | 98.1 Ų | 98.1 | 66% | 0.658 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.7 | -38.3 | 178.9 | -149 | -93.8 | 0 | 0 | 0 | 111.1 | E31 R32 S38 V39 | E31-F35 WeakPolarHBondContact O-CB 3.34Å; E31-F35 PolarHBondContact O-N 3.28Å; R32-F35 PolarHBondContact O-N 2.9Å; F35-S38 PolarHBondContact O-N 3.18Å; F35-S38 PolarHBondContact O-OG 3.03Å; F35-V39 WeakPolarHBondContact O-CG2 3.07Å; F35-V39 PolarHBondContact O-N 3.44Å |
| 36 | M | 34.5 | Very low | 41.1 | Very low | 146 Ų | 146 | 94.1 Ų | 94.1 | 72% | 0.719 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.3 | -37.4 | 173.6 | -76.3 | -170.6 | 74.9 | 0 | 0 | 112.8 | R32 G33 L34 S38 V39 G40 | R32-M36 WeakPolarHBondContact O-CB 3.46Å; R32-M36 WeakPolarHBondContact O-CG 3.36Å; R32-M36 PolarHBondContact O-N 2.96Å; G33-M36 PolarHBondContact O-N 3.01Å; L34-M36 VanDerWaalsContact C-N 3.32Å; L34-M36 PolarHBondContact O-N 3.03Å; M36-S38 VanDerWaalsContact C-N 3.28Å; M36-S38 PolarHBondContact O-N 3.27Å; M36-V39 PolarHBondContact O-N 3.37Å; M36-G40 PolarHBondContact O-N 3.04Å |
| 37 | S | 37.9 | Very low | 40.2 | Very low | 38 Ų | 38 | 99.7 Ų | 99.7 | 27% | 0.266 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.8 | -28.4 | 173.9 | -70.3 | 0 | 0 | 0 | 0 | 113.3 | G33 L34 | G33-S37 PolarHBondContact O-N 3.01Å; G33-S37 PolarHBondContact O-OG 3.4Å; L34-S37 PolarHBondContact O-N 3.31Å |
| 38 | S | 36.2 | Very low | 39.3 | Very low | 82 Ų | 82 | 102.1 Ų | 102.1 | 57% | 0.573 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -74.6 | -23 | 177.1 | 88.1 | 0 | 0 | 0 | 0 | 114 | L34 F35 M36 | L34-S38 PolarHBondContact O-N 3.1Å; L34-S38 VanDerWaalsContact O-N 3.1Å; F35-S38 PolarHBondContact O-N 3.18Å; F35-S38 PolarHBondContact O-OG 3.03Å; M36-S38 VanDerWaalsContact C-N 3.28Å; M36-S38 PolarHBondContact O-N 3.27Å |
| 39 | V | 34 | Very low | 38.6 | Very low | 118 Ų | 118 | 102.8 Ų | 102.8 | 72% | 0.715 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -97.4 | -12.4 | -177.3 | -173.1 | 0 | 0 | 0 | 0 | 112.1 | F35 M36 | F35-V39 WeakPolarHBondContact O-CG2 3.07Å; F35-V39 PolarHBondContact O-N 3.44Å; M36-V39 PolarHBondContact O-N 3.37Å |
| 40 | G | 29.7 | Very low | 37.9 | Very low | 37 Ų | 37 | 103.7 Ų | 103.7 | 38% | 0.381 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -171.8 | 114.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | M36 T42 | M36-G40 PolarHBondContact O-N 3.04Å; G40-T42 PolarHBondContact O-N 3.3Å; G40-T42 PolarHBondContact O-OG1 3.14Å |
| 41 | S | 33.3 | Very low | 36.7 | Very low | 122 Ų | 122 | 111 Ų | 111 | 85% | 0.853 | 61% | 0.606 | S | S | * | * | trans | -0.9 | 90.6 | 153.5 | 167.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 42 | T | 32.6 | Very low | 36.1 | Very low | 90 Ų | 90 | 109.9 Ų | 109.9 | 55% | 0.552 | 60% | 0.602 | S | S | * | * | trans | -138 | 107.2 | 167.5 | 34.7 | 0 | 0 | 0 | 0 | 108.8 | G40 V44 | G40-T42 PolarHBondContact O-N 3.3Å; G40-T42 PolarHBondContact O-OG1 3.14Å; T42-V44 PolarHBondContact O-N 3.31Å | ||
| 43 | T | 32 | Very low | 35.7 | Very low | 126 Ų | 126 | 108.4 Ų | 108.4 | 77% | 0.773 | 61% | 0.608 | S | S | * | * | trans | -52 | 111.5 | 170.1 | -12.9 | 0 | 0 | 0 | 0 | 108.6 | E45 | T43-E45 PolarHBondContact O-N 2.97Š| ||
| 44 | V | 37.2 | Very low | 35 | Very low | 109 Ų | 109 | 118 Ų | 118 | 66% | 0.661 | 63% | 0.632 | S | S | * | * | trans | -77.8 | 84.5 | 171 | -175.6 | 0 | 0 | 0 | 0 | 107.2 | T42 S46 | T42-V44 PolarHBondContact O-N 3.31Å; V44-S46 PolarHBondContact O-N 3.45Å | ||
| 45 | E | 27.5 | Very low | 34.5 | Very low | 155 Ų | 155 | 120.3 Ų | 120.3 | 72% | 0.724 | 65% | 0.647 | S | S | * | * | trans | -68.5 | 116.4 | 160.5 | -75.7 | -173.4 | 94.6 | 0 | 0 | 108.2 | T43 F47 | T43-E45 PolarHBondContact O-N 2.97Å; E45-F47 WeakPolarHBondContact O-CD2 3.07Å; E45-F47 VanDerWaalsContact O-CE2 3.26Å; E45-F47 WeakPolarHBondContact O-CE2 3.37Å | ||
| 46 | S | 33.7 | Very low | 34.3 | Very low | 121 Ų | 121 | 117.1 Ų | 117.1 | 85% | 0.846 | 64% | 0.644 | S | S | * | * | trans | 38.2 | 82.7 | 160.1 | -71.5 | 0 | 0 | 0 | 0 | 117.4 | V44 | V44-S46 PolarHBondContact O-N 3.45Š| ||
| 47 | F | 32.9 | Very low | 34.5 | Very low | 165 Ų | 165 | 111.4 Ų | 111.4 | 72% | 0.724 | 62% | 0.616 | S | S | * | * | trans | -125.7 | 107.9 | 166.5 | -80.2 | -80.3 | 0 | 0 | 0 | 113.5 | E45 | E45-F47 WeakPolarHBondContact O-CD2 3.07Å; E45-F47 VanDerWaalsContact O-CE2 3.26Å; E45-F47 WeakPolarHBondContact O-CE2 3.37Å | ||
| 48 | G | 35.2 | Very low | 34.6 | Very low | 52 Ų | 52 | 113.7 Ų | 113.7 | 54% | 0.536 | 63% | 0.625 | S | S | . | * | trans | 79.2 | 117 | 135.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y50 | G48-Y50 WeakPolarHBondContact O-CD2 3.26Å; G48-Y50 PolarHBondContact O-N 3.28Å | ||
| 49 | K | 36.5 | Very low | 34.8 | Very low | 173 Ų | 173 | 115.2 Ų | 115.2 | 75% | 0.752 | 62% | 0.621 | S | S | * | * | trans | -57.4 | 109 | 152.6 | -112.6 | -179 | 174.8 | -176.8 | 0 | 107.4 | E51 | K49-E51 PolarHBondContact O-N 3.22Š| ||
| 50 | Y | 40.1 | Very low | 34.8 | Very low | 118 Ų | 118 | 113.4 Ų | 113.4 | 46% | 0.463 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.4 | 97.7 | 165.5 | -74.2 | -88 | 0 | 0 | 0 | 107.1 | G48 M52 | G48-Y50 WeakPolarHBondContact O-CD2 3.26Å; G48-Y50 PolarHBondContact O-N 3.28Å; Y50-M52 VanDerWaalsContact C-N 3.34Å; Y50-M52 PolarHBondContact O-N 3.45Å |
| 51 | E | 30.8 | Very low | 35 | Very low | 176 Ų | 176 | 117.5 Ų | 117.5 | 82% | 0.822 | 63% | 0.633 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.8 | 94.2 | 167 | -116.7 | 175.8 | 94.8 | 0 | 0 | 107.8 | K49 | K49-E51 PolarHBondContact O-N 3.22Å |
| 52 | M | 37.4 | Very low | 35 | Very low | 73 Ų | 73 | 113.6 Ų | 113.6 | 36% | 0.36 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.7 | 124.2 | 159.1 | -80.3 | -166.5 | -174.7 | 0 | 0 | 107.8 | Y50 R54 T55 | Y50-M52 VanDerWaalsContact C-N 3.34Å; Y50-M52 PolarHBondContact O-N 3.45Å; M52-R54 PolarHBondContact O-N 3.18Å; M52-T55 PolarHBondContact O-N 2.97Å |
| 53 | D | 35.4 | Very low | 35.1 | Very low | 164 Ų | 164 | 113 Ų | 113 | 88% | 0.877 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -34.7 | 109.5 | 171.8 | -127.1 | -90.1 | 0 | 0 | 0 | 110.9 | ||
| 54 | R | 32.5 | Very low | 35.4 | Very low | 240 Ų | 240 | 110.8 Ų | 110.8 | 91% | 0.906 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.7 | 3.2 | 178.2 | -67 | -176 | 161 | 150.1 | -2.6 | 120.5 | M52 | M52-R54 PolarHBondContact O-N 3.18Š|
| 55 | T | 36.8 | Very low | 35.2 | Very low | 71 Ų | 71 | 111.6 Ų | 111.6 | 44% | 0.436 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -144.7 | 102.5 | 170.6 | -39.4 | 0 | 0 | 0 | 0 | 111.3 | M52 L57 | M52-T55 PolarHBondContact O-N 2.97Å; T55-L57 PolarHBondContact O-N 3.06Å |
| 56 | S | 35 | Very low | 35.9 | Very low | 83 Ų | 83 | 112.6 Ų | 112.6 | 58% | 0.58 | 60% | 0.596 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.1 | 95.7 | 177 | -63 | 0 | 0 | 0 | 0 | 110 | I58 | S56-I58 PolarHBondContact O-N 2.89Å |
| 57 | L | 38.6 | Very low | 36 | Very low | 26 Ų | 26 | 112.2 Ų | 112.2 | 14% | 0.136 | 58% | 0.584 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.2 | 101.7 | 168.6 | -75.4 | 156.2 | 0 | 0 | 0 | 108.5 | T55 F59 L64 | T55-L57 PolarHBondContact O-N 3.06Å; L57-F59 HydrophobicContact CB-CD2 4.31Å; L57-F59 HydrophobicContact CB-CE2 3.59Å; L57-F59 HydrophobicContact CB-CZ 4.1Å; L57-F59 HydrophobicContact CD2-CZ 4.46Å; L57-L64 HydrophobicContact CD2-CD1 3.53Å |
| 58 | I | 39.6 | Very low | 36.1 | Very low | 87 Ų | 87 | 109.4 Ų | 109.4 | 45% | 0.446 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.4 | 111.3 | 175.3 | -59.5 | 176 | 0 | 0 | 0 | 108 | S56 T60 | S56-I58 PolarHBondContact O-N 2.89Å; I58-T60 HydrophobicContact CG2-CG2 4.24Å |
| 59 | F | 39.5 | Very low | 36.2 | Very low | 114 Ų | 114 | 112.6 Ų | 112.6 | 50% | 0.5 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.8 | 99.4 | 174.9 | -66.1 | -85.6 | 0 | 0 | 0 | 109.8 | L57 L64 | L57-F59 HydrophobicContact CB-CD2 4.31Å; L57-F59 HydrophobicContact CB-CE2 3.59Å; L57-F59 HydrophobicContact CB-CZ 4.1Å; L57-F59 HydrophobicContact CD2-CZ 4.46Å; F59-L64 HydrophobicContact CE1-CD1 3.89Å; F59-L64 HydrophobicContact CZ-CD1 4.2Å |
| 60 | T | 34.1 | Very low | 36.2 | Very low | 80 Ų | 80 | 109.1 Ų | 109.1 | 49% | 0.491 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.1 | 119.8 | 169.9 | 38.4 | 0 | 0 | 0 | 0 | 109.3 | I58 G62 V63 | I58-T60 HydrophobicContact CG2-CG2 4.24Å; T60-G62 VanDerWaalsContact C-N 3.34Å; T60-G62 PolarHBondContact O-N 3.11Å; T60-G62 VanDerWaalsContact O-N 3.11Å; T60-V63 PolarHBondContact O-N 3.42Å; T60-V63 VanDerWaalsContact O-N 3.13Å |
| 61 | S | 33.8 | Very low | 35.9 | Very low | 122 Ų | 122 | 108.5 Ų | 108.5 | 85% | 0.853 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 46.2 | 43.9 | 169.1 | 67.4 | 0 | 0 | 0 | 0 | 116.7 | ||
| 62 | G | 34.6 | Very low | 36.3 | Very low | 41 Ų | 41 | 104 Ų | 104 | 42% | 0.423 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 79.3 | 13.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y9 T60 | Y9-G62 WeakPolarHBondContact CE1-O 3.02Å; Y9-G62 PolarHBondContact OH-O 3.13Å; T60-G62 VanDerWaalsContact C-N 3.34Å; T60-G62 PolarHBondContact O-N 3.11Å; T60-G62 VanDerWaalsContact O-N 3.11Å |
| 63 | V | 33.2 | Very low | 36.2 | Very low | 76 Ų | 76 | 106.2 Ų | 106.2 | 46% | 0.461 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.5 | 119.3 | 170.9 | -173.2 | 0 | 0 | 0 | 0 | 108.8 | T60 | T60-V63 PolarHBondContact O-N 3.42Å; T60-V63 VanDerWaalsContact O-N 3.13Å |
| 64 | L | 38.9 | Very low | 36.2 | Very low | 81 Ų | 81 | 101.8 Ų | 101.8 | 42% | 0.424 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 108.1 | 169.7 | -179.6 | 71.6 | 0 | 0 | 0 | 107.9 | L57 F59 I66 | L57-L64 HydrophobicContact CD2-CD1 3.53Å; F59-L64 HydrophobicContact CE1-CD1 3.89Å; F59-L64 HydrophobicContact CZ-CD1 4.2Å; L64-I66 HydrophobicContact CD2-CD1 4.02Å; L64-I66 HydrophobicContact CD2-CG1 3.99Å; L64-I66 HydrophobicContact CG-CG1 3.99Å |
| 65 | H | 33 | Very low | 36.5 | Very low | 125 Ų | 125 | 90.3 Ų | 90.3 | 58% | 0.579 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 113 | 163.8 | -80 | -90.3 | 0 | 0 | 0 | 108.1 | ||
| 66 | I | 41.6 | Very low | 36.5 | Very low | 177 Ų | 177 | 92 Ų | 92 | 91% | 0.908 | 53% | 0.527 | S | S | * | . | trans | -90.4 | 0 | 165.6 | -55.3 | 176.2 | 0 | 0 | 0 | 107.5 | L64 | L64-I66 HydrophobicContact CD2-CD1 4.02Å; L64-I66 HydrophobicContact CD2-CG1 3.99Å; L64-I66 HydrophobicContact CG-CG1 3.99Å |
Retrieved 66 of 66 residues in 15.9 ms
(Link to these results)