| 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 | 44.7 | Very low | 53.2 | Low | 215 Ų | 215 | 132.1 Ų | 132.1 | 100% | 1.059 | 67% | 0.667 | S | S | * | * | 0 | 117.2 | 0 | -141.5 | 166.7 | 175.9 | 0 | 0 | 107.4 | Y3 | M1-Y3 HydrophobicContact CE-CE2 4.32Å; M1-Y3 HydrophobicContact CG-CD2 4.4Å; M1-Y3 HydrophobicContact CG-CE2 3.85Å; M1-Y3 HydrophobicContact SD-CE2 4.46Å | |||
| 2 | G | 52.4 | Low | 53.8 | Low | 73 Ų | 73 | 128.8 Ų | 128.8 | 75% | 0.753 | 65% | 0.647 | S | S | * | * | trans | -101.7 | 74.5 | -153.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 3 | Y | 50.1 | Low | 54.4 | Low | 190 Ų | 190 | 131.1 Ų | 131.1 | 75% | 0.745 | 65% | 0.65 | S | S | * | * | trans | -107.6 | 9.3 | -174.7 | -68.2 | -70.3 | 0 | 0 | 0 | 116.4 | M1 | M1-Y3 HydrophobicContact CE-CE2 4.32Å; M1-Y3 HydrophobicContact CG-CD2 4.4Å; M1-Y3 HydrophobicContact CG-CE2 3.85Å; M1-Y3 HydrophobicContact SD-CE2 4.46Å | ||
| 4 | T | 57.1 | Low | 54.8 | Low | 119 Ų | 119 | 129.3 Ų | 129.3 | 73% | 0.73 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -115.2 | -15.3 | -174.1 | 20.9 | 0 | 0 | 0 | 0 | 116 | ||
| 5 | Y | 51 | Low | 55.4 | Low | 205 Ų | 205 | 127.9 Ų | 127.9 | 80% | 0.804 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -87.4 | -23.6 | -175.6 | -97.7 | -93.2 | 0 | 0 | 0 | 115.1 | T9 | Y5-T9 PolarHBondContact O-OG1 3.4Å |
| 6 | S | 55 | Low | 55.8 | Low | 100 Ų | 100 | 128.1 Ų | 128.1 | 70% | 0.699 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -80.5 | -18.8 | -177.6 | -60 | 0 | 0 | 0 | 0 | 114.4 | T9 | S6-T9 PolarHBondContact O-OG1 3.28Å |
| 7 | N | 54.2 | Low | 56.3 | Low | 98 Ų | 98 | 130.5 Ų | 130.5 | 52% | 0.524 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -86.7 | -29 | -178.4 | -137.1 | 10.2 | 0 | 0 | 0 | 111.9 | R10 L11 | N7-R10 PolarHBondContact O-N 2.97Å; N7-L11 WeakPolarHBondContact O-CG 3.1Å; N7-L11 PolarHBondContact O-N 3.45Å |
| 8 | Y | 51 | Low | 57 | Low | 146 Ų | 146 | 128.1 Ų | 128.1 | 57% | 0.573 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.3 | -40.7 | 179.1 | -169.5 | -106.1 | 0 | 0 | 0 | 112.2 | R10 L11 Q12 | Y8-R10 VanDerWaalsContact C-N 3.32Å; Y8-R10 PolarHBondContact O-N 2.91Å; Y8-L11 PolarHBondContact O-N 2.96Å; Y8-Q12 HydrophobicContact CD1-CG 4.15Å; Y8-Q12 HydrophobicContact CE1-CG 3.89Å; Y8-Q12 VanDerWaalsContact CZ-NE2 3.29Å; Y8-Q12 WeakPolarHBondContact O-CB 3.46Å; Y8-Q12 WeakPolarHBondContact O-CG 3.42Å; Y8-Q12 PolarHBondContact O-N 3.39Å; Y8-Q12 PolarHBondContact OH-NE2 3.33Å; Y8-Q12 VanDerWaalsContact OH-NE2 3.16Å |
| 9 | T | 56.7 | Low | 57.7 | Low | 76 Ų | 76 | 126.1 Ų | 126.1 | 47% | 0.466 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.5 | -29.4 | 177.6 | 31.3 | 0 | 0 | 0 | 0 | 113.2 | Y5 S6 K13 | Y5-T9 PolarHBondContact O-OG1 3.4Å; S6-T9 PolarHBondContact O-OG1 3.28Å; T9-K13 WeakPolarHBondContact O-CG 3.42Å; T9-K13 PolarHBondContact O-N 3.14Å |
| 10 | R | 55.8 | Low | 58.5 | Low | 157 Ų | 157 | 121.8 Ų | 121.8 | 59% | 0.592 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72 | -48.8 | 173.6 | -164.2 | 174.9 | 79.2 | 164.4 | 5.1 | 111.4 | N7 Y8 Q12 K13 E14 | N7-R10 PolarHBondContact O-N 2.97Å; Y8-R10 VanDerWaalsContact C-N 3.32Å; Y8-R10 PolarHBondContact O-N 2.91Å; R10-Q12 VanDerWaalsContact C-N 3.34Å; R10-Q12 PolarHBondContact O-N 3.31Å; R10-K13 PolarHBondContact O-N 2.88Å; R10-E14 PolarHBondContact O-N 2.91Å; R10-E14 VanDerWaalsContact O-N 3.12Å |
| 11 | L | 57.6 | Low | 59.3 | Low | 74 Ų | 74 | 118.3 Ų | 118.3 | 39% | 0.387 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -59.5 | -44.6 | 177.7 | -70.7 | 171.5 | 0 | 0 | 0 | 111.2 | N7 Y8 K13 E14 Y15 | N7-L11 WeakPolarHBondContact O-CG 3.1Å; N7-L11 PolarHBondContact O-N 3.45Å; Y8-L11 PolarHBondContact O-N 2.96Å; L11-K13 VanDerWaalsContact C-N 3.32Å; L11-K13 PolarHBondContact O-N 3.37Å; L11-E14 PolarHBondContact O-N 2.68Å; L11-E14 VanDerWaalsContact O-N 3.17Å; L11-Y15 HydrophobicContact CB-CD2 4.43Å; L11-Y15 HydrophobicContact CB-CE2 4.19Å; L11-Y15 WeakPolarHBondContact O-CD2 3.37Å; L11-Y15 PolarHBondContact O-N 3.19Å |
| 12 | Q | 60.2 | Low | 60.6 | Low | 93 Ų | 93 | 108.7 Ų | 108.7 | 44% | 0.435 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.2 | -37.2 | 176.9 | -77.2 | -168.9 | -31.9 | 0 | 0 | 113.7 | Y8 R10 Y15 L16 | Y8-Q12 HydrophobicContact CD1-CG 4.15Å; Y8-Q12 HydrophobicContact CE1-CG 3.89Å; Y8-Q12 VanDerWaalsContact CZ-NE2 3.29Å; Y8-Q12 WeakPolarHBondContact O-CB 3.46Å; Y8-Q12 WeakPolarHBondContact O-CG 3.42Å; Y8-Q12 PolarHBondContact O-N 3.39Å; Y8-Q12 PolarHBondContact OH-NE2 3.33Å; Y8-Q12 VanDerWaalsContact OH-NE2 3.16Å; R10-Q12 VanDerWaalsContact C-N 3.34Å; R10-Q12 PolarHBondContact O-N 3.31Å; Q12-Y15 PolarHBondContact O-N 2.89Å; Q12-L16 PolarHBondContact O-N 3.04Å |
| 13 | K | 61 | Low | 61.7 | Low | 158 Ų | 158 | 110.4 Ų | 110.4 | 69% | 0.687 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.3 | -39.7 | 175.3 | -76.1 | 178.7 | 179 | -175 | 0 | 111.9 | T9 R10 L11 L16 F17 | T9-K13 WeakPolarHBondContact O-CG 3.42Å; T9-K13 PolarHBondContact O-N 3.14Å; R10-K13 PolarHBondContact O-N 2.88Å; L11-K13 VanDerWaalsContact C-N 3.32Å; L11-K13 PolarHBondContact O-N 3.37Å; K13-L16 PolarHBondContact O-N 2.85Å; K13-F17 PolarHBondContact O-N 3.35Å |
| 14 | E | 60.6 | Low | 62.8 | Low | 106 Ų | 106 | 103.8 Ų | 103.8 | 50% | 0.495 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 175.5 | -67.7 | 176.7 | 138.7 | 0 | 0 | 111.5 | R10 L11 F17 F18 | R10-E14 PolarHBondContact O-N 2.91Å; R10-E14 VanDerWaalsContact O-N 3.12Å; L11-E14 PolarHBondContact O-N 2.68Å; L11-E14 VanDerWaalsContact O-N 3.17Å; E14-F17 PolarHBondContact O-N 3.48Å; E14-F18 WeakPolarHBondContact O-CB 3.48Å; E14-F18 PolarHBondContact O-N 2.94Å |
| 15 | Y | 63.6 | Low | 63.5 | Low | 109 Ų | 109 | 100.9 Ų | 100.9 | 43% | 0.427 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 173.7 | -76 | -70 | 0 | 0 | 0 | 112.4 | L11 Q12 F18 D19 Y52 | L11-Y15 HydrophobicContact CB-CD2 4.43Å; L11-Y15 HydrophobicContact CB-CE2 4.19Å; L11-Y15 WeakPolarHBondContact O-CD2 3.37Å; L11-Y15 PolarHBondContact O-N 3.19Å; Q12-Y15 PolarHBondContact O-N 2.89Å; Y15-F18 PolarHBondContact O-N 3.35Å; Y15-D19 PolarHBondContact O-N 3.43Å; Y15-Y52 WeakPolarHBondContact CD1-OH 3.43Å |
| 16 | L | 61.9 | Low | 64.4 | Low | 131 Ų | 131 | 93 Ų | 93 | 69% | 0.686 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66 | -39.5 | 178.7 | -169.2 | 71 | 0 | 0 | 0 | 112 | Q12 K13 F18 D19 G20 | Q12-L16 PolarHBondContact O-N 3.04Å; K13-L16 PolarHBondContact O-N 2.85Å; L16-F18 VanDerWaalsContact C-N 3.35Å; L16-D19 PolarHBondContact O-N 3.37Å; L16-G20 PolarHBondContact O-N 3.45Å; L16-G20 VanDerWaalsContact O-N 3.1Å |
| 17 | F | 63.8 | Low | 65.3 | Low | 168 Ų | 168 | 92.2 Ų | 92.2 | 74% | 0.737 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.8 | -42.1 | 174.1 | -177.5 | -94.2 | 0 | 0 | 0 | 111.5 | K13 E14 G20 A21 | K13-F17 PolarHBondContact O-N 3.35Å; E14-F17 PolarHBondContact O-N 3.48Å; F17-G20 PolarHBondContact O-N 3.41Å; F17-A21 WeakPolarHBondContact O-CB 3.36Å; F17-A21 PolarHBondContact O-N 3.46Å |
| 18 | F | 70 | Confident | 66.1 | Low | 88 Ų | 88 | 93 Ų | 93 | 39% | 0.386 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 177.9 | -170.8 | -91.6 | 0 | 0 | 0 | 112.2 | E14 Y15 L16 A21 L22 Y52 | E14-F18 WeakPolarHBondContact O-CB 3.48Å; E14-F18 PolarHBondContact O-N 2.94Å; Y15-F18 PolarHBondContact O-N 3.35Å; L16-F18 VanDerWaalsContact C-N 3.35Å; F18-A21 PolarHBondContact O-N 3.34Å; F18-L22 HydrophobicContact CE1-CD1 4.49Å; F18-L22 HydrophobicContact CE1-CD2 4.37Å; F18-L22 VanDerWaalsContact O-CB 3.26Å; F18-L22 WeakPolarHBondContact O-CB 3.33Å; F18-L22 PolarHBondContact O-N 3.14Å; F18-Y52 HydrophobicContact CD1-CD2 4.07Å; F18-Y52 HydrophobicContact CD1-CE1 4.11Å; F18-Y52 AromaticContact CD1-CE2 3.47Å; F18-Y52 HydrophobicContact CD1-CE2 3.47Å; F18-Y52 VanDerWaalsContact CD1-CE2 3.47Å; F18-Y52 AromaticContact CD1-CZ 3.49Å; F18-Y52 VanDerWaalsContact CD1-CZ 3.49Å; F18-Y52 HydrophobicContact CE1-CD1 4.28Å; F18-Y52 AromaticContact CE1-CD2 3.45Å; F18-Y52 HydrophobicContact CE1-CD2 3.45Å; F18-Y52 VanDerWaalsContact CE1-CD2 3.45Å; F18-Y52 HydrophobicContact CE1-CE1 4.21Å; F18-Y52 AromaticContact CE1-CE2 3.35Å; F18-Y52 HydrophobicContact CE1-CE2 3.35Å; F18-Y52 AromaticContact CE1-CG 3.91Å; F18-Y52 HydrophobicContact CE1-CG 3.91Å; F18-Y52 AromaticContact CE1-CZ 3.75Å; F18-Y52 HydrophobicContact CZ-CD2 4.26Å; F18-Y52 HydrophobicContact CZ-CE2 4.34Å |
| 19 | D | 69.5 | Low | 66.9 | Low | 89 Ų | 89 | 87.2 Ų | 87.2 | 48% | 0.476 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 177.4 | -163.8 | 47.5 | 0 | 0 | 0 | 111.6 | Y15 L16 L22 L23 | Y15-D19 PolarHBondContact O-N 3.43Å; L16-D19 PolarHBondContact O-N 3.37Å; D19-L22 PolarHBondContact O-N 3.38Å; D19-L23 WeakPolarHBondContact O-CB 3.02Å; D19-L23 PolarHBondContact O-N 3.4Å |
| 20 | G | 74.8 | Confident | 67.5 | Low | 40 Ų | 40 | 91.7 Ų | 91.7 | 41% | 0.412 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L16 F17 L23 A24 | L16-G20 PolarHBondContact O-N 3.45Å; L16-G20 VanDerWaalsContact O-N 3.1Å; F17-G20 PolarHBondContact O-N 3.41Å; G20-L23 PolarHBondContact O-N 3.16Å; G20-A24 WeakPolarHBondContact O-CB 3.4Å; G20-A24 PolarHBondContact O-N 3.07Å |
| 21 | A | 75.1 | Confident | 68.3 | Low | 50 Ų | 50 | 89.6 Ų | 89.6 | 41% | 0.413 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F17 F18 A24 L25 | F17-A21 WeakPolarHBondContact O-CB 3.36Å; F17-A21 PolarHBondContact O-N 3.46Å; F18-A21 PolarHBondContact O-N 3.34Å; A21-A24 PolarHBondContact O-N 3.16Å; A21-L25 VanDerWaalsContact O-CB 3.3Å; A21-L25 WeakPolarHBondContact O-CB 3.31Å; A21-L25 PolarHBondContact O-N 3.12Å |
| 22 | L | 72.1 | Confident | 68.7 | Low | 13 Ų | 13 | 90.4 Ų | 90.4 | 7% | 0.068 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 177 | -165.3 | 70.1 | 0 | 0 | 0 | 111.4 | F18 D19 L25 S26 I49 Y52 | F18-L22 HydrophobicContact CE1-CD1 4.49Å; F18-L22 HydrophobicContact CE1-CD2 4.37Å; F18-L22 VanDerWaalsContact O-CB 3.26Å; F18-L22 WeakPolarHBondContact O-CB 3.33Å; F18-L22 PolarHBondContact O-N 3.14Å; D19-L22 PolarHBondContact O-N 3.38Å; L22-L25 PolarHBondContact O-N 3.36Å; L22-S26 WeakPolarHBondContact O-CB 3.47Å; L22-S26 PolarHBondContact O-N 2.67Å; L22-I49 HydrophobicContact CD1-CD1 4.34Å; L22-I49 HydrophobicContact CD1-CG1 3.47Å; L22-I49 VanDerWaalsContact CD1-CG1 3.47Å; L22-I49 HydrophobicContact CD2-CB 4.43Å; L22-I49 HydrophobicContact CD2-CG1 3.97Å; L22-I49 HydrophobicContact CD2-CG2 4.32Å; L22-I49 HydrophobicContact CG-CD1 4.43Å; L22-I49 HydrophobicContact CG-CG1 3.7Å; L22-Y52 HydrophobicContact CD2-CD1 3.95Å; L22-Y52 HydrophobicContact CD2-CE1 4.49Å; L22-Y52 HydrophobicContact CD2-CG 4.44Å |
| 23 | L | 74.1 | Confident | 68.5 | Low | 108 Ų | 108 | 89.8 Ų | 89.8 | 57% | 0.565 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.5 | -46.9 | 174.9 | -177 | 64.1 | 0 | 0 | 0 | 111.3 | D19 G20 L25 S26 E27 | D19-L23 WeakPolarHBondContact O-CB 3.02Å; D19-L23 PolarHBondContact O-N 3.4Å; G20-L23 PolarHBondContact O-N 3.16Å; L23-L25 VanDerWaalsContact C-N 3.32Å; L23-L25 PolarHBondContact O-N 3.36Å; L23-S26 PolarHBondContact O-N 3.45Å; L23-S26 VanDerWaalsContact O-N 3.13Å; L23-S26 PolarHBondContact O-OG 3.44Å; L23-E27 PolarHBondContact O-N 3.2Å |
| 24 | A | 74.8 | Confident | 68.4 | Low | 51 Ų | 51 | 90.5 Ų | 90.5 | 42% | 0.421 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G20 A21 S26 E27 E28 | G20-A24 WeakPolarHBondContact O-CB 3.4Å; G20-A24 PolarHBondContact O-N 3.07Å; A21-A24 PolarHBondContact O-N 3.16Å; A24-S26 VanDerWaalsContact C-N 3.32Å; A24-S26 PolarHBondContact O-N 2.91Å; A24-E27 PolarHBondContact O-N 2.99Å; A24-E28 PolarHBondContact O-N 2.88Å |
| 25 | L | 71.9 | Confident | 68.2 | Low | 59 Ų | 59 | 95.3 Ų | 95.3 | 31% | 0.309 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 175.6 | -172.6 | 66.4 | 0 | 0 | 0 | 111.7 | A21 L22 L23 E27 E28 L29 I45 | A21-L25 VanDerWaalsContact O-CB 3.3Å; A21-L25 WeakPolarHBondContact O-CB 3.31Å; A21-L25 PolarHBondContact O-N 3.12Å; L22-L25 PolarHBondContact O-N 3.36Å; L23-L25 VanDerWaalsContact C-N 3.32Å; L23-L25 PolarHBondContact O-N 3.36Å; L25-E27 VanDerWaalsContact C-N 3.31Å; L25-E27 PolarHBondContact O-N 3.42Å; L25-E28 PolarHBondContact O-N 3.43Å; L25-L29 HydrophobicContact CG-CD1 4.45Å; L25-L29 WeakPolarHBondContact O-CB 3.41Å; L25-L29 WeakPolarHBondContact O-CG 3.42Å; L25-L29 PolarHBondContact O-N 3.11Å; L25-I45 HydrophobicContact CD1-CD1 4.1Å; L25-I45 HydrophobicContact CD2-CB 4.43Å; L25-I45 HydrophobicContact CD2-CD1 3.98Å; L25-I45 HydrophobicContact CD2-CG1 4.08Å; L25-I45 HydrophobicContact CD2-CG2 3.48Å; L25-I45 VanDerWaalsContact CD2-CG2 3.48Å; L25-I45 HydrophobicContact CG-CD1 4.15Å; L25-I45 HydrophobicContact CG-CG2 3.94Å |
| 26 | S | 69.8 | Low | 67.5 | Low | 38 Ų | 38 | 91.6 Ų | 91.6 | 27% | 0.266 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64 | -35.6 | 176.7 | 79.3 | 0 | 0 | 0 | 0 | 112.6 | L22 L23 A24 R30 | L22-S26 WeakPolarHBondContact O-CB 3.47Å; L22-S26 PolarHBondContact O-N 2.67Å; L23-S26 PolarHBondContact O-N 3.45Å; L23-S26 VanDerWaalsContact O-N 3.13Å; L23-S26 PolarHBondContact O-OG 3.44Å; A24-S26 VanDerWaalsContact C-N 3.32Å; A24-S26 PolarHBondContact O-N 2.91Å; S26-R30 WeakPolarHBondContact O-CB 3.4Å; S26-R30 PolarHBondContact O-N 2.81Å |
| 27 | E | 73.1 | Confident | 67.3 | Low | 84 Ų | 84 | 93.7 Ų | 93.7 | 39% | 0.393 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -74.1 | -42.7 | 176.3 | -76.4 | -68.1 | 123.7 | 0 | 0 | 111.8 | L23 A24 L25 L29 R30 L31 | L23-E27 PolarHBondContact O-N 3.2Å; A24-E27 PolarHBondContact O-N 2.99Å; L25-E27 VanDerWaalsContact C-N 3.31Å; L25-E27 PolarHBondContact O-N 3.42Å; E27-L29 VanDerWaalsContact C-N 3.25Å; E27-L29 PolarHBondContact O-N 3.13Å; E27-R30 WeakPolarHBondContact O-CB 3.18Å; E27-R30 PolarHBondContact O-N 2.94Å; E27-R30 VanDerWaalsContact O-N 3.14Å; E27-R30 IonicContact OE1-NH1 3.52Å; E27-L31 WeakPolarHBondContact O-CG 3.33Å; E27-L31 PolarHBondContact O-N 2.88Å |
| 28 | E | 70.3 | Confident | 66.9 | Low | 116 Ų | 116 | 97 Ų | 97 | 54% | 0.542 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.4 | -40.6 | 171.2 | -75.9 | -177.2 | -150.6 | 0 | 0 | 111.5 | A24 L25 L31 N32 | A24-E28 PolarHBondContact O-N 2.88Å; L25-E28 PolarHBondContact O-N 3.43Å; E28-L31 PolarHBondContact O-N 3.33Å; E28-N32 WeakPolarHBondContact O-CB 3.19Å; E28-N32 PolarHBondContact O-N 3.41Å; E28-N32 PolarHBondContact O-ND2 3.46Å |
| 29 | L | 67.5 | Low | 66.4 | Low | 23 Ų | 23 | 96.4 Ų | 96.4 | 12% | 0.12 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -65 | -45 | 173.6 | -75.7 | 175.1 | 0 | 0 | 0 | 111.9 | L25 E27 L31 N32 N33 N42 I45 | L25-L29 HydrophobicContact CG-CD1 4.45Å; L25-L29 WeakPolarHBondContact O-CB 3.41Å; L25-L29 WeakPolarHBondContact O-CG 3.42Å; L25-L29 PolarHBondContact O-N 3.11Å; E27-L29 VanDerWaalsContact C-N 3.25Å; E27-L29 PolarHBondContact O-N 3.13Å; L29-L31 VanDerWaalsContact C-N 3.26Å; L29-L31 PolarHBondContact O-N 2.88Å; L29-N32 CarbonylContact O-C 3.52Å; L29-N32 PolarHBondContact O-N 3.29Å; L29-N33 WeakPolarHBondContact O-CA 3.16Å; L29-N33 WeakPolarHBondContact O-CB 3.5Å; L29-N33 PolarHBondContact O-N 3.44Å; L29-N42 HydrophobicContact CD2-CB 4.18Å; L29-N42 WeakPolarHBondContact CD2-OD1 3.43Å; L29-I45 HydrophobicContact CD1-CB 3.51Å; L29-I45 HydrophobicContact CD1-CD1 3.74Å; L29-I45 HydrophobicContact CD1-CG1 4.22Å; L29-I45 HydrophobicContact CD1-CG2 3.27Å; L29-I45 HydrophobicContact CD2-CD1 3.88Å; L29-I45 HydrophobicContact CG-CD1 4.15Å |
| 30 | R | 70.9 | Confident | 66.1 | Low | 170 Ų | 170 | 96.7 Ų | 96.7 | 64% | 0.642 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59 | -39.7 | 177 | -179.5 | -177.5 | 167 | -179 | -2.4 | 111.7 | S26 E27 | S26-R30 WeakPolarHBondContact O-CB 3.4Å; S26-R30 PolarHBondContact O-N 2.81Å; E27-R30 WeakPolarHBondContact O-CB 3.18Å; E27-R30 PolarHBondContact O-N 2.94Å; E27-R30 VanDerWaalsContact O-N 3.14Å; E27-R30 IonicContact OE1-NH1 3.52Å |
| 31 | L | 71.6 | Confident | 65.7 | Low | 114 Ų | 114 | 99.3 Ų | 99.3 | 60% | 0.597 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.3 | -43.8 | 175.2 | -69.3 | 171.6 | 0 | 0 | 0 | 111.7 | E27 E28 L29 | E27-L31 WeakPolarHBondContact O-CG 3.33Å; E27-L31 PolarHBondContact O-N 2.88Å; E28-L31 PolarHBondContact O-N 3.33Å; L29-L31 VanDerWaalsContact C-N 3.26Å; L29-L31 PolarHBondContact O-N 2.88Å |
| 32 | N | 65.6 | Low | 65.1 | Low | 91 Ų | 91 | 98 Ų | 98 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.6 | -27.4 | 176.4 | -79 | -47.3 | 0 | 0 | 0 | 113.3 | E28 L29 K34 Y35 S36 | E28-N32 WeakPolarHBondContact O-CB 3.19Å; E28-N32 PolarHBondContact O-N 3.41Å; E28-N32 PolarHBondContact O-ND2 3.46Å; L29-N32 CarbonylContact O-C 3.52Å; L29-N32 PolarHBondContact O-N 3.29Å; N32-K34 VanDerWaalsContact C-N 3.26Å; N32-K34 PolarHBondContact O-N 2.84Å; N32-Y35 CarbonylContact O-C 3.52Å; N32-Y35 WeakPolarHBondContact O-CA 3.38Å; N32-Y35 PolarHBondContact O-N 3.41Å; N32-S36 PolarHBondContact O-N 3.11Å |
| 33 | N | 57.6 | Low | 64.7 | Low | 79 Ų | 79 | 103.3 Ų | 103.3 | 42% | 0.422 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -74.6 | -17.9 | -178.6 | -155.1 | 28.6 | 0 | 0 | 0 | 112 | L29 Y35 S36 N42 | L29-N33 WeakPolarHBondContact O-CA 3.16Å; L29-N33 WeakPolarHBondContact O-CB 3.5Å; L29-N33 PolarHBondContact O-N 3.44Å; N33-Y35 PolarHBondContact O-N 2.81Å; N33-S36 PolarHBondContact OD1-O 3.44Å; N33-N42 PolarHBondContact OD1-ND2 2.87Å |
| 34 | K | 58.6 | Low | 64.4 | Low | 173 Ų | 173 | 102.1 Ų | 102.1 | 75% | 0.752 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -20.9 | 162.8 | -77.5 | -172.6 | 176 | -177.8 | 0 | 112.6 | N32 | N32-K34 VanDerWaalsContact C-N 3.26Å; N32-K34 PolarHBondContact O-N 2.84Å |
| 35 | Y | 55.2 | Low | 64.2 | Low | 207 Ų | 207 | 100.9 Ų | 100.9 | 81% | 0.812 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | -12.6 | -178.3 | -66.8 | -76.1 | 0 | 0 | 0 | 114.4 | N32 N33 | N32-Y35 CarbonylContact O-C 3.52Å; N32-Y35 WeakPolarHBondContact O-CA 3.38Å; N32-Y35 PolarHBondContact O-N 3.41Å; N33-Y35 PolarHBondContact O-N 2.81Å |
| 36 | S | 50.2 | Low | 63.9 | Low | 32 Ų | 32 | 101.7 Ų | 101.7 | 22% | 0.224 | 50% | 0.499 | C | S | . | . | trans | -149.3 | 68.4 | -168 | -153.8 | 0 | 0 | 0 | 0 | 114.1 | N32 N33 R38 N39 N42 | N32-S36 PolarHBondContact O-N 3.11Å; N33-S36 PolarHBondContact OD1-O 3.44Å; S36-R38 PolarHBondContact O-N 2.83Å; S36-N39 PolarHBondContact O-N 3.36Å; S36-N39 WeakPolarHBondContact OG-CB 3.33Å; S36-N42 PolarHBondContact O-ND2 3.48Å | ||
| 37 | H | 56.1 | Low | 64 | Low | 174 Ų | 174 | 105.9 Ų | 105.9 | 81% | 0.806 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 10.5 | 163.1 | -153.7 | -68.7 | 0 | 0 | 0 | 112.8 | ||
| 38 | R | 56.7 | Low | 64.1 | Low | 238 Ų | 238 | 106.4 Ų | 106.4 | 90% | 0.898 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.1 | -3.3 | -178.1 | -75.2 | -173.5 | 176.4 | -174.3 | -0.7 | 113.9 | S36 P40 | S36-R38 PolarHBondContact O-N 2.83Å; R38-P40 WeakPolarHBondContact O-CD 3.25Å |
| 39 | N | 59.9 | Low | 64.2 | Low | 76 Ų | 76 | 102.7 Ų | 102.7 | 41% | 0.406 | 50% | 0.501 | S | S | . | . | trans | -85.1 | 118.8 | -178.1 | -116.5 | 3 | 0 | 0 | 0 | 111.5 | S36 I41 N42 | S36-N39 PolarHBondContact O-N 3.36Å; S36-N39 WeakPolarHBondContact OG-CB 3.33Å; N39-I41 PolarHBondContact O-N 3.44Å; N39-I41 VanDerWaalsContact O-N 3.11Å; N39-N42 PolarHBondContact O-N 3.3Å; N39-N42 VanDerWaalsContact O-N 3.16Å | ||
| 40 | P | 62.5 | Low | 64.5 | Low | 94 Ų | 94 | 108.7 Ų | 108.7 | 61% | 0.61 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.5 | -24.2 | 176.6 | 23.7 | -33 | 0 | 0 | 0 | 112.7 | R38 N42 N43 S44 | R38-P40 WeakPolarHBondContact O-CD 3.25Å; P40-N42 VanDerWaalsContact C-N 3.3Å; P40-N42 PolarHBondContact O-N 2.81Å; P40-N43 PolarHBondContact O-N 3.46Å; P40-N43 VanDerWaalsContact O-N 3.16Å; P40-S44 PolarHBondContact O-N 3.41Å; P40-S44 VanDerWaalsContact O-N 3.14Å; P40-S44 PolarHBondContact O-OG 3.42Å |
| 41 | I | 65.6 | Low | 64.8 | Low | 95 Ų | 95 | 104.4 Ų | 104.4 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.1 | -39.9 | 177.6 | -60.7 | 171.2 | 0 | 0 | 0 | 111.8 | N39 N43 S44 I45 | N39-I41 PolarHBondContact O-N 3.44Å; N39-I41 VanDerWaalsContact O-N 3.11Å; I41-N43 VanDerWaalsContact C-N 3.3Å; I41-N43 PolarHBondContact O-N 2.84Å; I41-S44 PolarHBondContact O-N 2.87Å; I41-I45 HydrophobicContact CG2-CD1 3.82Å; I41-I45 WeakPolarHBondContact O-CG1 3.3Å; I41-I45 PolarHBondContact O-N 2.83Å; I41-I45 VanDerWaalsContact O-N 3.12Å |
| 42 | N | 63 | Low | 64.6 | Low | 23 Ų | 23 | 101 Ų | 101 | 12% | 0.123 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -65.5 | -36.7 | -179.7 | -64.5 | 5.7 | 0 | 0 | 0 | 111.2 | L29 N33 S36 N39 P40 C46 | L29-N42 HydrophobicContact CD2-CB 4.18Å; L29-N42 WeakPolarHBondContact CD2-OD1 3.43Å; N33-N42 PolarHBondContact OD1-ND2 2.87Å; S36-N42 PolarHBondContact O-ND2 3.48Å; N39-N42 PolarHBondContact O-N 3.3Å; N39-N42 VanDerWaalsContact O-N 3.16Å; P40-N42 VanDerWaalsContact C-N 3.3Å; P40-N42 PolarHBondContact O-N 2.81Å; N42-C46 WeakPolarHBondContact O-CB 3.33Å; N42-C46 PolarHBondContact O-N 3.32Å; N42-C46 VanDerWaalsContact O-N 3.07Å |
| 43 | N | 63.4 | Low | 64.6 | Low | 125 Ų | 125 | 101.1 Ų | 101.1 | 67% | 0.668 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -71 | -40.6 | 178.9 | -159.6 | 17.7 | 0 | 0 | 0 | 111.3 | P40 I41 I45 C46 F47 | P40-N43 PolarHBondContact O-N 3.46Å; P40-N43 VanDerWaalsContact O-N 3.16Å; I41-N43 VanDerWaalsContact C-N 3.3Å; I41-N43 PolarHBondContact O-N 2.84Å; N43-I45 PolarHBondContact O-N 3Å; N43-C46 PolarHBondContact O-N 2.92Å; N43-F47 WeakPolarHBondContact O-CB 3.23Å; N43-F47 PolarHBondContact O-N 3.36Å |
| 44 | S | 68.8 | Low | 65.2 | Low | 82 Ų | 82 | 102.3 Ų | 102.3 | 57% | 0.573 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.1 | -40.7 | 176.4 | -60.6 | 0 | 0 | 0 | 0 | 112.7 | P40 I41 F47 L48 | P40-S44 PolarHBondContact O-N 3.41Å; P40-S44 VanDerWaalsContact O-N 3.14Å; P40-S44 PolarHBondContact O-OG 3.42Å; I41-S44 PolarHBondContact O-N 2.87Å; S44-F47 PolarHBondContact O-N 2.92Å; S44-L48 PolarHBondContact O-N 3.46Å |
| 45 | I | 69.7 | Low | 65.4 | Low | 25 Ų | 25 | 97.5 Ų | 97.5 | 13% | 0.128 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -73.8 | -39.6 | 179.3 | -64.7 | 161.8 | 0 | 0 | 0 | 111 | L25 L29 I41 N43 F47 L48 I49 | L25-I45 HydrophobicContact CD1-CD1 4.1Å; L25-I45 HydrophobicContact CD2-CB 4.43Å; L25-I45 HydrophobicContact CD2-CD1 3.98Å; L25-I45 HydrophobicContact CD2-CG1 4.08Å; L25-I45 HydrophobicContact CD2-CG2 3.48Å; L25-I45 VanDerWaalsContact CD2-CG2 3.48Å; L25-I45 HydrophobicContact CG-CD1 4.15Å; L25-I45 HydrophobicContact CG-CG2 3.94Å; L29-I45 HydrophobicContact CD1-CB 3.51Å; L29-I45 HydrophobicContact CD1-CD1 3.74Å; L29-I45 HydrophobicContact CD1-CG1 4.22Å; L29-I45 HydrophobicContact CD1-CG2 3.27Å; L29-I45 HydrophobicContact CD2-CD1 3.88Å; L29-I45 HydrophobicContact CG-CD1 4.15Å; I41-I45 HydrophobicContact CG2-CD1 3.82Å; I41-I45 WeakPolarHBondContact O-CG1 3.3Å; I41-I45 PolarHBondContact O-N 2.83Å; I41-I45 VanDerWaalsContact O-N 3.12Å; N43-I45 PolarHBondContact O-N 3Å; I45-F47 VanDerWaalsContact C-N 3.27Å; I45-F47 PolarHBondContact O-N 3.47Å; I45-L48 WeakPolarHBondContact O-CB 3.19Å; I45-L48 PolarHBondContact O-N 2.98Å; I45-L48 VanDerWaalsContact O-N 3.11Å; I45-I49 HydrophobicContact CG2-CD1 3.87Å; I45-I49 HydrophobicContact CG2-CG1 4.28Å; I45-I49 VanDerWaalsContact O-CG1 3.3Å; I45-I49 WeakPolarHBondContact O-CG1 3.4Å; I45-I49 PolarHBondContact O-N 3.11Å |
| 46 | C | 66 | Low | 65.4 | Low | 77 Ų | 77 | 89.8 Ų | 89.8 | 52% | 0.52 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.5 | -41.8 | 172.7 | -169.8 | 0 | 0 | 0 | 0 | 111.3 | N42 N43 L48 I49 Y50 | N42-C46 WeakPolarHBondContact O-CB 3.33Å; N42-C46 PolarHBondContact O-N 3.32Å; N42-C46 VanDerWaalsContact O-N 3.07Å; N43-C46 PolarHBondContact O-N 2.92Å; C46-L48 PolarHBondContact O-N 3.42Å; C46-I49 PolarHBondContact O-N 3.1Å; C46-Y50 VanDerWaalsContact O-CB 3.31Å; C46-Y50 WeakPolarHBondContact O-CB 3.18Å; C46-Y50 PolarHBondContact O-N 3.42Å |
| 47 | F | 71.9 | Confident | 65.6 | Low | 126 Ų | 126 | 98.5 Ų | 98.5 | 55% | 0.553 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.6 | -41.9 | 173.9 | -173.9 | -94.4 | 0 | 0 | 0 | 112.2 | N43 S44 I45 Y50 H51 | N43-F47 WeakPolarHBondContact O-CB 3.23Å; N43-F47 PolarHBondContact O-N 3.36Å; S44-F47 PolarHBondContact O-N 2.92Å; I45-F47 VanDerWaalsContact C-N 3.27Å; I45-F47 PolarHBondContact O-N 3.47Å; F47-Y50 PolarHBondContact O-N 3.2Å; F47-H51 AromaticContact CD1-CD2 3.86Å; F47-H51 AromaticContact CE1-CD2 3.23Å; F47-H51 WeakPolarHBondContact CE1-CD2 3.26Å; F47-H51 AromaticContact CE1-NE2 3.62Å; F47-H51 AromaticContact CE2-CD2 3.74Å; F47-H51 AromaticContact CE2-NE2 3.91Å; F47-H51 AromaticContact CZ-CD2 3.18Å; F47-H51 WeakPolarHBondContact CZ-CD2 3.3Å; F47-H51 AromaticContact CZ-NE2 3.19Å; F47-H51 WeakPolarHBondContact CZ-NE2 3.47Å; F47-H51 WeakPolarHBondContact O-CB 3.23Å; F47-H51 PolarHBondContact O-N 3.48Å |
| 48 | L | 75.1 | Confident | 65.5 | Low | 95 Ų | 95 | 94 Ų | 94 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 176.2 | -164.1 | 82.7 | 0 | 0 | 0 | 111.7 | S44 I45 C46 Y50 H51 Y52 | S44-L48 PolarHBondContact O-N 3.46Å; I45-L48 WeakPolarHBondContact O-CB 3.19Å; I45-L48 PolarHBondContact O-N 2.98Å; I45-L48 VanDerWaalsContact O-N 3.11Å; C46-L48 PolarHBondContact O-N 3.42Å; L48-Y50 VanDerWaalsContact C-N 3.35Å; L48-H51 PolarHBondContact O-N 2.85Å; L48-Y52 VanDerWaalsContact O-CB 3.25Å; L48-Y52 WeakPolarHBondContact O-CB 3.45Å; L48-Y52 PolarHBondContact O-N 3.34Å |
| 49 | I | 72.7 | Confident | 65.3 | Low | 38 Ų | 38 | 90.5 Ų | 90.5 | 20% | 0.195 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.5 | -44 | 175.7 | -66.1 | 166.1 | 0 | 0 | 0 | 110.5 | L22 I45 C46 Y52 N53 | L22-I49 HydrophobicContact CD1-CD1 4.34Å; L22-I49 HydrophobicContact CD1-CG1 3.47Å; L22-I49 VanDerWaalsContact CD1-CG1 3.47Å; L22-I49 HydrophobicContact CD2-CB 4.43Å; L22-I49 HydrophobicContact CD2-CG1 3.97Å; L22-I49 HydrophobicContact CD2-CG2 4.32Å; L22-I49 HydrophobicContact CG-CD1 4.43Å; L22-I49 HydrophobicContact CG-CG1 3.7Å; I45-I49 HydrophobicContact CG2-CD1 3.87Å; I45-I49 HydrophobicContact CG2-CG1 4.28Å; I45-I49 VanDerWaalsContact O-CG1 3.3Å; I45-I49 WeakPolarHBondContact O-CG1 3.4Å; I45-I49 PolarHBondContact O-N 3.11Å; C46-I49 PolarHBondContact O-N 3.1Å; I49-Y52 PolarHBondContact O-N 3.14Å; I49-N53 WeakPolarHBondContact CG2-ND2 3.21Å; I49-N53 WeakPolarHBondContact O-CB 3.23Å; I49-N53 PolarHBondContact O-N 2.93Å; I49-N53 PolarHBondContact O-ND2 2.99Å |
| 50 | Y | 74.2 | Confident | 64.7 | Low | 148 Ų | 148 | 95.4 Ų | 95.4 | 58% | 0.58 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.3 | -48 | 177.7 | 177.6 | -94 | 0 | 0 | 0 | 111.3 | C46 F47 L48 Y52 N53 H54 | C46-Y50 VanDerWaalsContact O-CB 3.31Å; C46-Y50 WeakPolarHBondContact O-CB 3.18Å; C46-Y50 PolarHBondContact O-N 3.42Å; F47-Y50 PolarHBondContact O-N 3.2Å; L48-Y50 VanDerWaalsContact C-N 3.35Å; Y50-Y52 VanDerWaalsContact C-N 3.33Å; Y50-Y52 PolarHBondContact O-N 2.84Å; Y50-N53 PolarHBondContact O-N 3.3Å; Y50-H54 WeakPolarHBondContact O-CB 3.42Å; Y50-H54 PolarHBondContact O-N 3.37Å |
| 51 | H | 75.8 | Confident | 63.8 | Low | 81 Ų | 81 | 96.7 Ų | 96.7 | 38% | 0.375 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 176.6 | -107.6 | -88.5 | 0 | 0 | 0 | 111.7 | F47 L48 H54 I55 | F47-H51 AromaticContact CD1-CD2 3.86Å; F47-H51 AromaticContact CE1-CD2 3.23Å; F47-H51 WeakPolarHBondContact CE1-CD2 3.26Å; F47-H51 AromaticContact CE1-NE2 3.62Å; F47-H51 AromaticContact CE2-CD2 3.74Å; F47-H51 AromaticContact CE2-NE2 3.91Å; F47-H51 AromaticContact CZ-CD2 3.18Å; F47-H51 WeakPolarHBondContact CZ-CD2 3.3Å; F47-H51 AromaticContact CZ-NE2 3.19Å; F47-H51 WeakPolarHBondContact CZ-NE2 3.47Å; F47-H51 WeakPolarHBondContact O-CB 3.23Å; F47-H51 PolarHBondContact O-N 3.48Å; L48-H51 PolarHBondContact O-N 2.85Å; H51-H54 PolarHBondContact O-N 3.34Å; H51-I55 WeakPolarHBondContact O-CB 3.4Å; H51-I55 WeakPolarHBondContact O-CD1 3.42Å; H51-I55 WeakPolarHBondContact O-CG1 3.33Å; H51-I55 PolarHBondContact O-N 3.16Å |
| 52 | Y | 67.1 | Low | 62.8 | Low | 43 Ų | 43 | 96.9 Ų | 96.9 | 17% | 0.169 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 176.6 | -175.4 | -97.8 | 0 | 0 | 0 | 111.5 | Y15 F18 L22 L48 I49 Y50 H54 I55 C56 | Y15-Y52 WeakPolarHBondContact CD1-OH 3.43Å; F18-Y52 HydrophobicContact CD1-CD2 4.07Å; F18-Y52 HydrophobicContact CD1-CE1 4.11Å; F18-Y52 AromaticContact CD1-CE2 3.47Å; F18-Y52 HydrophobicContact CD1-CE2 3.47Å; F18-Y52 VanDerWaalsContact CD1-CE2 3.47Å; F18-Y52 AromaticContact CD1-CZ 3.49Å; F18-Y52 VanDerWaalsContact CD1-CZ 3.49Å; F18-Y52 HydrophobicContact CE1-CD1 4.28Å; F18-Y52 AromaticContact CE1-CD2 3.45Å; F18-Y52 HydrophobicContact CE1-CD2 3.45Å; F18-Y52 VanDerWaalsContact CE1-CD2 3.45Å; F18-Y52 HydrophobicContact CE1-CE1 4.21Å; F18-Y52 AromaticContact CE1-CE2 3.35Å; F18-Y52 HydrophobicContact CE1-CE2 3.35Å; F18-Y52 AromaticContact CE1-CG 3.91Å; F18-Y52 HydrophobicContact CE1-CG 3.91Å; F18-Y52 AromaticContact CE1-CZ 3.75Å; F18-Y52 HydrophobicContact CZ-CD2 4.26Å; F18-Y52 HydrophobicContact CZ-CE2 4.34Å; L22-Y52 HydrophobicContact CD2-CD1 3.95Å; L22-Y52 HydrophobicContact CD2-CE1 4.49Å; L22-Y52 HydrophobicContact CD2-CG 4.44Å; L48-Y52 VanDerWaalsContact O-CB 3.25Å; L48-Y52 WeakPolarHBondContact O-CB 3.45Å; L48-Y52 PolarHBondContact O-N 3.34Å; I49-Y52 PolarHBondContact O-N 3.14Å; Y50-Y52 VanDerWaalsContact C-N 3.33Å; Y50-Y52 PolarHBondContact O-N 2.84Å; Y52-H54 VanDerWaalsContact C-N 3.33Å; Y52-H54 PolarHBondContact O-N 3.04Å; Y52-I55 PolarHBondContact O-N 3.45Å; Y52-C56 WeakPolarHBondContact O-CB 3.19Å; Y52-C56 PolarHBondContact O-N 3.37Å; Y52-C56 PolarHBondContact O-SG 2.99Å; Y52-C56 VanDerWaalsContact O-SG 3.41Å |
| 53 | N | 66.5 | Low | 62 | Low | 92 Ų | 92 | 104.3 Ų | 104.3 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 174.3 | -86.4 | -71.9 | 0 | 0 | 0 | 112.4 | I49 Y50 C56 R57 | I49-N53 WeakPolarHBondContact CG2-ND2 3.21Å; I49-N53 WeakPolarHBondContact O-CB 3.23Å; I49-N53 PolarHBondContact O-N 2.93Å; I49-N53 PolarHBondContact O-ND2 2.99Å; Y50-N53 PolarHBondContact O-N 3.3Å; N53-C56 PolarHBondContact O-N 3.41Å; N53-R57 WeakPolarHBondContact O-CB 3.48Å; N53-R57 PolarHBondContact O-N 2.95Å |
| 54 | H | 69.4 | Low | 61.1 | Low | 105 Ų | 105 | 106.6 Ų | 106.6 | 49% | 0.486 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 176 | -174.3 | -89.4 | 0 | 0 | 0 | 111.4 | Y50 H51 Y52 R57 S58 | Y50-H54 WeakPolarHBondContact O-CB 3.42Å; Y50-H54 PolarHBondContact O-N 3.37Å; H51-H54 PolarHBondContact O-N 3.34Å; Y52-H54 VanDerWaalsContact C-N 3.33Å; Y52-H54 PolarHBondContact O-N 3.04Å; H54-R57 PolarHBondContact O-N 3.17Å; H54-S58 VanDerWaalsContact O-CB 3.23Å; H54-S58 WeakPolarHBondContact O-CB 2.95Å; H54-S58 PolarHBondContact O-N 3.41Å |
| 55 | I | 64.3 | Low | 60 | Low | 72 Ų | 72 | 110 Ų | 110 | 37% | 0.369 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 176.7 | -68.2 | 164.5 | 0 | 0 | 0 | 110.4 | H51 Y52 S58 R59 | H51-I55 WeakPolarHBondContact O-CB 3.4Å; H51-I55 WeakPolarHBondContact O-CD1 3.42Å; H51-I55 WeakPolarHBondContact O-CG1 3.33Å; H51-I55 PolarHBondContact O-N 3.16Å; Y52-I55 PolarHBondContact O-N 3.45Å; I55-S58 PolarHBondContact O-N 2.93Å; I55-R59 HydrophobicContact CG2-CG 4.41Å; I55-R59 WeakPolarHBondContact O-CB 3.38Å; I55-R59 VanDerWaalsContact O-CG 3.23Å; I55-R59 WeakPolarHBondContact O-CG 3.35Å; I55-R59 PolarHBondContact O-N 3.41Å |
| 56 | C | 55.2 | Low | 58.7 | Low | 44 Ų | 44 | 113.9 Ų | 113.9 | 30% | 0.297 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.2 | -37 | 177 | -75.4 | 0 | 0 | 0 | 0 | 112.7 | Y52 N53 R59 K60 | Y52-C56 WeakPolarHBondContact O-CB 3.19Å; Y52-C56 PolarHBondContact O-N 3.37Å; Y52-C56 PolarHBondContact O-SG 2.99Å; Y52-C56 VanDerWaalsContact O-SG 3.41Å; N53-C56 PolarHBondContact O-N 3.41Å; C56-R59 CarbonylContact O-C 3.5Å; C56-R59 PolarHBondContact O-N 3.12Å; C56-K60 PolarHBondContact O-N 3.17Å; C56-K60 VanDerWaalsContact O-N 3.11Å |
| 57 | R | 53.5 | Low | 57.2 | Low | 216 Ų | 216 | 120.8 Ų | 120.8 | 82% | 0.815 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -72.7 | -37.5 | 176 | -164.1 | 170.8 | -179.1 | 160.1 | -1.1 | 111.7 | N53 H54 R59 K60 | N53-R57 WeakPolarHBondContact O-CB 3.48Å; N53-R57 PolarHBondContact O-N 2.95Å; H54-R57 PolarHBondContact O-N 3.17Å; R57-R59 VanDerWaalsContact C-N 3.28Å; R57-R59 PolarHBondContact O-N 3.35Å; R57-K60 PolarHBondContact O-N 3.32Å |
| 58 | S | 53.8 | Low | 55.6 | Low | 80 Ų | 80 | 119.9 Ų | 119.9 | 56% | 0.559 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.3 | -21.2 | 171.4 | -171.7 | 0 | 0 | 0 | 0 | 113 | H54 I55 | H54-S58 VanDerWaalsContact O-CB 3.23Å; H54-S58 WeakPolarHBondContact O-CB 2.95Å; H54-S58 PolarHBondContact O-N 3.41Å; I55-S58 PolarHBondContact O-N 2.93Å |
| 59 | R | 52.2 | Low | 53.8 | Low | 164 Ų | 164 | 125.7 Ų | 125.7 | 62% | 0.619 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 3.6 | 174.5 | -72.8 | -177.6 | 174.8 | -177.8 | -0.6 | 114 | I55 C56 R57 T61 P62 | I55-R59 HydrophobicContact CG2-CG 4.41Å; I55-R59 WeakPolarHBondContact O-CB 3.38Å; I55-R59 VanDerWaalsContact O-CG 3.23Å; I55-R59 WeakPolarHBondContact O-CG 3.35Å; I55-R59 PolarHBondContact O-N 3.41Å; C56-R59 CarbonylContact O-C 3.5Å; C56-R59 PolarHBondContact O-N 3.12Å; R57-R59 VanDerWaalsContact C-N 3.28Å; R57-R59 PolarHBondContact O-N 3.35Å; R59-T61 PolarHBondContact O-N 3.21Å; R59-P62 WeakPolarHBondContact O-CD 3.43Å; R59-P62 WeakPolarHBondContact O-CG 3.46Å |
| 60 | K | 48 | Very low | 52.9 | Low | 179 Ų | 179 | 130.1 Ų | 130.1 | 78% | 0.778 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -77.2 | 21.2 | 164.2 | -84.1 | -169.5 | 178 | -176.7 | 0 | 113.8 | C56 R57 P62 | C56-K60 PolarHBondContact O-N 3.17Å; C56-K60 VanDerWaalsContact O-N 3.11Å; R57-K60 PolarHBondContact O-N 3.32Å; K60-P62 VanDerWaalsContact C-CD 3.49Å |
| 61 | T | 43.9 | Very low | 51.8 | Low | 121 Ų | 121 | 129.2 Ų | 129.2 | 74% | 0.742 | 65% | 0.653 | S | S | * | * | trans | -122.8 | 71.2 | 153.8 | 52.7 | 0 | 0 | 0 | 0 | 111.1 | R59 | R59-T61 PolarHBondContact O-N 3.21Š| ||
| 62 | P | 43.6 | Very low | 50.4 | Low | 99 Ų | 99 | 131.8 Ų | 131.8 | 64% | 0.643 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -97.7 | 88.5 | 157.1 | 31.2 | -13.3 | 0 | 0 | 0 | 106.7 | R59 K60 M64 | R59-P62 WeakPolarHBondContact O-CD 3.43Å; R59-P62 WeakPolarHBondContact O-CG 3.46Å; K60-P62 VanDerWaalsContact C-CD 3.49Å; P62-M64 PolarHBondContact O-N 3.49Å |
| 63 | H | 47.7 | Very low | 49.5 | Very low | 178 Ų | 178 | 137.1 Ų | 137.1 | 82% | 0.824 | 70% | 0.698 | S | S | * | * | trans | 42.6 | 70.3 | 166.2 | -76.2 | -94.6 | 0 | 0 | 0 | 116.3 | N65 | H63-N65 VanDerWaalsContact C-N 3.32Š| ||
| 64 | M | 43.9 | Very low | 48.4 | Very low | 174 Ų | 174 | 139.9 Ų | 139.9 | 86% | 0.857 | 71% | 0.711 | S | S | * | * | trans | -97.7 | 64.4 | 141.1 | -91.8 | -174.4 | 164.8 | 0 | 0 | 107.7 | P62 T66 | P62-M64 PolarHBondContact O-N 3.49Å; M64-T66 PolarHBondContact O-N 3.43Å | ||
| 65 | N | 44.6 | Very low | 47 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 82% | 0.824 | 73% | 0.726 | S | S | * | * | trans | -91.2 | 71.6 | 150.6 | -85.9 | 3.2 | 0 | 0 | 0 | 106.1 | H63 Y67 | H63-N65 VanDerWaalsContact C-N 3.32Å; N65-Y67 PolarHBondContact O-N 3.4Å | ||
| 66 | T | 43.9 | Very low | 45.7 | Very low | 106 Ų | 106 | 147.2 Ų | 147.2 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | trans | -60.8 | 120.1 | 160 | -55.5 | 0 | 0 | 0 | 0 | 106.6 | M64 A68 | M64-T66 PolarHBondContact O-N 3.43Å; T66-A68 PolarHBondContact O-N 3.33Å; T66-A68 VanDerWaalsContact O-N 3.14Å | ||
| 67 | Y | 34.9 | Very low | 45 | Very low | 222 Ų | 222 | 155.2 Ų | 155.2 | 87% | 0.871 | 79% | 0.786 | S | S | * | * | trans | 3.3 | 96 | 159.6 | -85.4 | -95.4 | 0 | 0 | 0 | 115.2 | N65 | N65-Y67 PolarHBondContact O-N 3.4Š| ||
| 68 | A | 37.2 | Very low | 44.3 | Very low | 106 Ų | 106 | 150.1 Ų | 150.1 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | trans | -135.8 | 53 | 162 | 0 | 0 | 0 | 0 | 0 | 109 | T66 | T66-A68 PolarHBondContact O-N 3.33Å; T66-A68 VanDerWaalsContact O-N 3.14Å | ||
| 69 | N | 38.1 | Very low | 43.5 | Very low | 218 Ų | 218 | 156.5 Ų | 156.5 | 100% | 1.166 | 81% | 0.805 | S | S | * | * | trans | -162.5 | 0 | 142.4 | -156 | 22 | 0 | 0 | 0 | 107.9 |
Retrieved 69 of 69 residues in 13.5 ms
(Link to these results)