| 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 | 50 | Low | 59.6 | Low | 189 Ų | 189 | 103.1 Ų | 103.1 | 93% | 0.931 | 55% | 0.545 | S | S | * | . | 0 | -37 | 0 | -107.6 | 179.3 | -86 | 0 | 0 | 114 | N3 L4 I5 | M1-N3 VanDerWaalsContact C-N 3.25Å; M1-N3 PolarHBondContact O-N 3.02Å; M1-N3 VanDerWaalsContact O-N 3.16Å; M1-L4 PolarHBondContact O-N 3.13Å; M1-I5 PolarHBondContact O-N 3.28Å | |||
| 2 | G | 51.7 | Low | 60.5 | Low | 45 Ų | 45 | 101.2 Ų | 101.2 | 46% | 0.464 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -49.7 | -42.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L4 I5 F6 | G2-L4 VanDerWaalsContact C-N 3.32Å; G2-L4 PolarHBondContact O-N 2.88Å; G2-I5 PolarHBondContact O-N 3.08Å; G2-F6 VanDerWaalsContact O-CD2 3.28Å; G2-F6 WeakPolarHBondContact O-CD2 3.1Å; G2-F6 PolarHBondContact O-N 2.8Å; G2-F6 VanDerWaalsContact O-N 3.12Å |
| 3 | N | 56.4 | Low | 61.1 | Low | 131 Ų | 131 | 97.6 Ų | 97.6 | 70% | 0.701 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.4 | -34.6 | 179.2 | -156.1 | 13.9 | 0 | 0 | 0 | 114 | M1 T7 | M1-N3 VanDerWaalsContact C-N 3.25Å; M1-N3 PolarHBondContact O-N 3.02Å; M1-N3 VanDerWaalsContact O-N 3.16Å; N3-T7 VanDerWaalsContact O-CB 3.31Å; N3-T7 WeakPolarHBondContact O-CB 3.28Å; N3-T7 PolarHBondContact O-N 3.27Å; N3-T7 PolarHBondContact O-OG1 3.44Å |
| 4 | L | 57.1 | Low | 61.9 | Low | 114 Ų | 114 | 100.4 Ų | 100.4 | 60% | 0.597 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.9 | -41.7 | 178.5 | -97.3 | 148.1 | 0 | 0 | 0 | 111.8 | M1 G2 T7 L8 | M1-L4 PolarHBondContact O-N 3.13Å; G2-L4 VanDerWaalsContact C-N 3.32Å; G2-L4 PolarHBondContact O-N 2.88Å; L4-T7 PolarHBondContact O-N 3.02Å; L4-L8 WeakPolarHBondContact O-CB 3.21Å; L4-L8 VanDerWaalsContact O-CG 3.32Å; L4-L8 WeakPolarHBondContact O-CG 3.45Å; L4-L8 PolarHBondContact O-N 3.25Å |
| 5 | I | 58.9 | Low | 62.9 | Low | 73 Ų | 73 | 98.6 Ų | 98.6 | 37% | 0.374 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.2 | -48.1 | 177.6 | -65.5 | 170 | 0 | 0 | 0 | 109.9 | M1 G2 T7 L8 L9 | M1-I5 PolarHBondContact O-N 3.28Å; G2-I5 PolarHBondContact O-N 3.08Å; I5-T7 VanDerWaalsContact C-N 3.3Å; I5-T7 PolarHBondContact O-N 2.86Å; I5-L8 PolarHBondContact O-N 3.24Å; I5-L9 HydrophobicContact CG2-CD1 3.68Å; I5-L9 HydrophobicContact CG2-CG 4.25Å; I5-L9 WeakPolarHBondContact O-CB 3.25Å; I5-L9 VanDerWaalsContact O-CG 3.28Å; I5-L9 WeakPolarHBondContact O-CG 3.18Å; I5-L9 PolarHBondContact O-N 3.34Å |
| 6 | F | 58.5 | Low | 63.7 | Low | 123 Ų | 123 | 96 Ų | 96 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 175.7 | -84.3 | -75.1 | 0 | 0 | 0 | 112 | G2 S10 | G2-F6 VanDerWaalsContact O-CD2 3.28Å; G2-F6 WeakPolarHBondContact O-CD2 3.1Å; G2-F6 PolarHBondContact O-N 2.8Å; G2-F6 VanDerWaalsContact O-N 3.12Å; F6-S10 VanDerWaalsContact O-CB 3.24Å; F6-S10 WeakPolarHBondContact O-CB 3.3Å; F6-S10 PolarHBondContact O-N 3.4Å; F6-S10 PolarHBondContact O-OG 3.32Å |
| 7 | T | 64.6 | Low | 64.4 | Low | 73 Ų | 73 | 94.5 Ų | 94.5 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.9 | -47.5 | 178.3 | -57 | 0 | 0 | 0 | 0 | 111.4 | N3 L4 I5 S10 Y11 | N3-T7 VanDerWaalsContact O-CB 3.31Å; N3-T7 WeakPolarHBondContact O-CB 3.28Å; N3-T7 PolarHBondContact O-N 3.27Å; N3-T7 PolarHBondContact O-OG1 3.44Å; L4-T7 PolarHBondContact O-N 3.02Å; I5-T7 VanDerWaalsContact C-N 3.3Å; I5-T7 PolarHBondContact O-N 2.86Å; T7-S10 PolarHBondContact O-N 2.96Å; T7-S10 PolarHBondContact O-OG 3.26Å; T7-Y11 WeakPolarHBondContact O-CB 3.24Å; T7-Y11 PolarHBondContact O-N 3.47Å |
| 8 | L | 60.1 | Low | 64.8 | Low | 114 Ų | 114 | 92.7 Ų | 92.7 | 60% | 0.597 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.2 | -43.6 | 179.3 | -72.3 | 170.8 | 0 | 0 | 0 | 112.1 | L4 I5 Y11 S12 | L4-L8 WeakPolarHBondContact O-CB 3.21Å; L4-L8 VanDerWaalsContact O-CG 3.32Å; L4-L8 WeakPolarHBondContact O-CG 3.45Å; L4-L8 PolarHBondContact O-N 3.25Å; I5-L8 PolarHBondContact O-N 3.24Å; L8-Y11 PolarHBondContact O-N 3.4Å; L8-S12 WeakPolarHBondContact O-CB 3.26Å; L8-S12 PolarHBondContact O-N 2.8Å |
| 9 | L | 62.8 | Low | 65.5 | Low | 54 Ų | 54 | 93.7 Ų | 93.7 | 28% | 0.283 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 173.7 | -73.1 | 171.1 | 0 | 0 | 0 | 110.7 | I5 Y11 S12 L13 L61 | I5-L9 HydrophobicContact CG2-CD1 3.68Å; I5-L9 HydrophobicContact CG2-CG 4.25Å; I5-L9 WeakPolarHBondContact O-CB 3.25Å; I5-L9 VanDerWaalsContact O-CG 3.28Å; I5-L9 WeakPolarHBondContact O-CG 3.18Å; I5-L9 PolarHBondContact O-N 3.34Å; L9-Y11 VanDerWaalsContact C-N 3.32Å; L9-Y11 PolarHBondContact O-N 3.39Å; L9-S12 PolarHBondContact O-N 3.06Å; L9-L13 WeakPolarHBondContact O-CB 3.42Å; L9-L13 PolarHBondContact O-N 3.38Å; L9-L61 HydrophobicContact CD1-CD1 4.1Å |
| 10 | S | 67.7 | Low | 66 | Low | 68 Ų | 68 | 94.5 Ų | 94.5 | 48% | 0.476 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 179.2 | 75.2 | 0 | 0 | 0 | 0 | 112.8 | F6 T7 K14 | F6-S10 VanDerWaalsContact O-CB 3.24Å; F6-S10 WeakPolarHBondContact O-CB 3.3Å; F6-S10 PolarHBondContact O-N 3.4Å; F6-S10 PolarHBondContact O-OG 3.32Å; T7-S10 PolarHBondContact O-N 2.96Å; T7-S10 PolarHBondContact O-OG 3.26Å; S10-K14 VanDerWaalsContact O-CB 3.27Å; S10-K14 WeakPolarHBondContact O-CB 3.39Å; S10-K14 PolarHBondContact O-N 3.46Å |
| 11 | Y | 67.7 | Low | 66.4 | Low | 150 Ų | 150 | 93.2 Ų | 93.2 | 59% | 0.588 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -71.8 | -47.6 | 179.6 | -174.3 | -96.7 | 0 | 0 | 0 | 111.5 | T7 L8 L9 L13 K14 N15 | T7-Y11 WeakPolarHBondContact O-CB 3.24Å; T7-Y11 PolarHBondContact O-N 3.47Å; L8-Y11 PolarHBondContact O-N 3.4Å; L9-Y11 VanDerWaalsContact C-N 3.32Å; L9-Y11 PolarHBondContact O-N 3.39Å; Y11-L13 VanDerWaalsContact C-N 3.31Å; Y11-L13 PolarHBondContact O-N 3.14Å; Y11-K14 PolarHBondContact O-N 3.02Å; Y11-N15 WeakPolarHBondContact CE1-ND2 3.49Å; Y11-N15 PolarHBondContact O-N 2.93Å; Y11-N15 VanDerWaalsContact O-N 3.1Å |
| 12 | S | 70.3 | Confident | 67.6 | Low | 80 Ų | 80 | 93.6 Ų | 93.6 | 56% | 0.559 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60 | -43.2 | 175.6 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | L8 L9 N15 D16 | L8-S12 WeakPolarHBondContact O-CB 3.26Å; L8-S12 PolarHBondContact O-N 2.8Å; L9-S12 PolarHBondContact O-N 3.06Å; S12-N15 PolarHBondContact O-N 3.03Å; S12-D16 PolarHBondContact O-N 3Å; S12-D16 VanDerWaalsContact O-N 3.08Å |
| 13 | L | 68.4 | Low | 68.9 | Low | 55 Ų | 55 | 96.5 Ų | 96.5 | 29% | 0.288 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 176.7 | -169.6 | 81 | 0 | 0 | 0 | 112.3 | L9 Y11 N15 D16 F17 F53 F57 | L9-L13 WeakPolarHBondContact O-CB 3.42Å; L9-L13 PolarHBondContact O-N 3.38Å; Y11-L13 VanDerWaalsContact C-N 3.31Å; Y11-L13 PolarHBondContact O-N 3.14Å; L13-N15 VanDerWaalsContact C-N 3.26Å; L13-N15 PolarHBondContact O-N 3.11Å; L13-D16 PolarHBondContact O-N 3.23Å; L13-F17 VanDerWaalsContact O-CB 3.3Å; L13-F17 WeakPolarHBondContact O-CB 3.29Å; L13-F17 PolarHBondContact O-N 2.82Å; L13-F53 HydrophobicContact CD1-CE1 4.36Å; L13-F53 HydrophobicContact CD1-CZ 3.77Å; L13-F53 HydrophobicContact CG-CZ 4.18Å; L13-F57 HydrophobicContact CD1-CB 4.23Å; L13-F57 HydrophobicContact CD1-CD2 3.12Å; L13-F57 HydrophobicContact CD1-CE2 3.59Å; L13-F57 HydrophobicContact CD1-CG 3.9Å; L13-F57 HydrophobicContact CD2-CD2 3.97Å; L13-F57 HydrophobicContact CD2-CE2 3.66Å; L13-F57 HydrophobicContact CD2-CZ 4.15Å; L13-F57 HydrophobicContact CG-CD2 4.14Å; L13-F57 HydrophobicContact CG-CE2 4.18Å |
| 14 | K | 71.8 | Confident | 69.7 | Low | 137 Ų | 137 | 91 Ų | 91 | 60% | 0.596 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59 | -42.6 | -178.9 | -178.5 | 179.7 | 176.6 | -178.1 | 0 | 110.7 | S10 Y11 C18 | S10-K14 VanDerWaalsContact O-CB 3.27Å; S10-K14 WeakPolarHBondContact O-CB 3.39Å; S10-K14 PolarHBondContact O-N 3.46Å; Y11-K14 PolarHBondContact O-N 3.02Å; K14-C18 VanDerWaalsContact O-CB 3.25Å; K14-C18 WeakPolarHBondContact O-CB 3.28Å; K14-C18 PolarHBondContact O-N 2.06Å; K14-C18 PolarHBondContact O-SG 3.12Å |
| 15 | N | 77.6 | Confident | 70.4 | Confident | 73 Ų | 73 | 90.2 Ų | 90.2 | 39% | 0.39 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.9 | -45.7 | 179.7 | -70.8 | -12.3 | 0 | 0 | 0 | 111.8 | Y11 S12 L13 C18 Q19 | Y11-N15 WeakPolarHBondContact CE1-ND2 3.49Å; Y11-N15 PolarHBondContact O-N 2.93Å; Y11-N15 VanDerWaalsContact O-N 3.1Å; S12-N15 PolarHBondContact O-N 3.03Å; L13-N15 VanDerWaalsContact C-N 3.26Å; L13-N15 PolarHBondContact O-N 3.11Å; N15-C18 PolarHBondContact O-N 3.44Å; N15-Q19 VanDerWaalsContact O-CB 3.31Å; N15-Q19 WeakPolarHBondContact O-CB 2.96Å; N15-Q19 PolarHBondContact O-N 3.46Å |
| 16 | D | 76.2 | Confident | 71.3 | Confident | 57 Ų | 57 | 92.9 Ų | 92.9 | 31% | 0.305 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 178.9 | -167.2 | 56.5 | 0 | 0 | 0 | 111.5 | S12 L13 Q19 R20 F53 | S12-D16 PolarHBondContact O-N 3Å; S12-D16 VanDerWaalsContact O-N 3.08Å; L13-D16 PolarHBondContact O-N 3.23Å; D16-Q19 PolarHBondContact O-N 3.38Å; D16-R20 VanDerWaalsContact O-CG 3.29Å; D16-R20 WeakPolarHBondContact O-CG 3.43Å; D16-R20 PolarHBondContact O-N 2.95Å; D16-R20 IonicContact OD1-CZ 3.93Å; D16-R20 IonicContact OD1-NE 3.44Å; D16-R20 PolarHBondContact OD1-NE 2.77Å; D16-R20 IonicContact OD1-NH2 3.58Å; D16-R20 PolarHBondContact OD1-NH2 2.67Å; D16-R20 IonicContact OD2-CZ 3.8Å; D16-R20 IonicContact OD2-NE 3.33Å; D16-R20 PolarHBondContact OD2-NE 3.47Å; D16-R20 IonicContact OD2-NH2 3.47Å; D16-R20 PolarHBondContact OD2-NH2 2.79Å; D16-F53 WeakPolarHBondContact OD2-CE2 3.49Å |
| 17 | F | 74.7 | Confident | 72.1 | Confident | 70 Ų | 70 | 87.5 Ų | 87.5 | 31% | 0.307 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.9 | -51.6 | 174.8 | 178.6 | -98.9 | 0 | 0 | 0 | 112.1 | L13 Q19 R20 L21 F48 L50 F53 | L13-F17 VanDerWaalsContact O-CB 3.3Å; L13-F17 WeakPolarHBondContact O-CB 3.29Å; L13-F17 PolarHBondContact O-N 2.82Å; F17-Q19 VanDerWaalsContact C-N 3.3Å; F17-Q19 PolarHBondContact O-N 3.2Å; F17-R20 PolarHBondContact O-N 3.43Å; F17-L21 HydrophobicContact CE1-CD2 4.1Å; F17-L21 HydrophobicContact CZ-CD2 4.37Å; F17-L21 VanDerWaalsContact O-CB 3.31Å; F17-L21 WeakPolarHBondContact O-CB 3.16Å; F17-L21 PolarHBondContact O-N 2.95Å; F17-F48 HydrophobicContact CD2-CE1 4.21Å; F17-F48 HydrophobicContact CD2-CE2 4.5Å; F17-F48 AromaticContact CD2-CZ 3.62Å; F17-F48 HydrophobicContact CD2-CZ 3.62Å; F17-F48 AromaticContact CE2-CE1 3.74Å; F17-F48 HydrophobicContact CE2-CE1 3.74Å; F17-F48 AromaticContact CE2-CZ 3.6Å; F17-F48 HydrophobicContact CE2-CZ 3.6Å; F17-L50 HydrophobicContact CE2-CD1 4.07Å; F17-F53 HydrophobicContact CB-CE1 4.13Å; F17-F53 HydrophobicContact CB-CE2 4.4Å; F17-F53 HydrophobicContact CB-CZ 3.71Å; F17-F53 HydrophobicContact CD2-CD1 4.02Å; F17-F53 AromaticContact CD2-CE1 3.6Å; F17-F53 HydrophobicContact CD2-CE1 3.6Å; F17-F53 HydrophobicContact CD2-CZ 4.02Å; F17-F53 HydrophobicContact CG-CE1 4.31Å; F17-F53 HydrophobicContact CG-CZ 4.36Å |
| 18 | C | 72.4 | Confident | 72.4 | Confident | 63 Ų | 63 | 89.5 Ų | 89.5 | 43% | 0.426 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.8 | -38 | -179.4 | -75.4 | 0 | 0 | 0 | 0 | 112 | K14 N15 R22 | K14-C18 VanDerWaalsContact O-CB 3.25Å; K14-C18 WeakPolarHBondContact O-CB 3.28Å; K14-C18 PolarHBondContact O-N 2.06Å; K14-C18 PolarHBondContact O-SG 3.12Å; N15-C18 PolarHBondContact O-N 3.44Å; C18-R22 VanDerWaalsContact O-CB 3.28Å; C18-R22 WeakPolarHBondContact O-CB 3.27Å; C18-R22 PolarHBondContact O-N 2.85Å |
| 19 | Q | 78.1 | Confident | 73 | Confident | 111 Ų | 111 | 89 Ų | 89 | 52% | 0.519 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.1 | -51.5 | 176.7 | -179.1 | 176.8 | -19.2 | 0 | 0 | 111.1 | N15 D16 F17 L21 R22 E23 | N15-Q19 VanDerWaalsContact O-CB 3.31Å; N15-Q19 WeakPolarHBondContact O-CB 2.96Å; N15-Q19 PolarHBondContact O-N 3.46Å; D16-Q19 PolarHBondContact O-N 3.38Å; F17-Q19 VanDerWaalsContact C-N 3.3Å; F17-Q19 PolarHBondContact O-N 3.2Å; Q19-L21 VanDerWaalsContact C-N 3.34Å; Q19-L21 PolarHBondContact O-N 3.16Å; Q19-R22 WeakPolarHBondContact O-CB 3.09Å; Q19-R22 PolarHBondContact O-N 3.28Å; Q19-R22 VanDerWaalsContact O-N 3.16Å; Q19-E23 WeakPolarHBondContact CG-OE1 3.41Å; Q19-E23 PolarHBondContact NE2-OE1 3.28Å; Q19-E23 WeakPolarHBondContact O-CG 2.99Å; Q19-E23 PolarHBondContact O-N 3.01Å |
| 20 | R | 75.3 | Confident | 73.5 | Confident | 110 Ų | 110 | 88 Ų | 88 | 42% | 0.415 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | -179.1 | -67.6 | 175.3 | -174.8 | -78.5 | -6.3 | 112.8 | D16 F17 R22 E23 T24 F48 | D16-R20 VanDerWaalsContact O-CG 3.29Å; D16-R20 WeakPolarHBondContact O-CG 3.43Å; D16-R20 PolarHBondContact O-N 2.95Å; D16-R20 IonicContact OD1-CZ 3.93Å; D16-R20 IonicContact OD1-NE 3.44Å; D16-R20 PolarHBondContact OD1-NE 2.77Å; D16-R20 IonicContact OD1-NH2 3.58Å; D16-R20 PolarHBondContact OD1-NH2 2.67Å; D16-R20 IonicContact OD2-CZ 3.8Å; D16-R20 IonicContact OD2-NE 3.33Å; D16-R20 PolarHBondContact OD2-NE 3.47Å; D16-R20 IonicContact OD2-NH2 3.47Å; D16-R20 PolarHBondContact OD2-NH2 2.79Å; F17-R20 PolarHBondContact O-N 3.43Å; R20-R22 VanDerWaalsContact C-N 3.34Å; R20-E23 PolarHBondContact O-N 2.91Å; R20-T24 WeakPolarHBondContact O-CB 3.2Å; R20-T24 PolarHBondContact O-N 2.84Å; R20-T24 PolarHBondContact O-OG1 3.06Å; R20-F48 HydrophobicContact CB-CB 4.48Å; R20-F48 HydrophobicContact CB-CD2 3.4Å; R20-F48 HydrophobicContact CB-CE2 3.75Å; R20-F48 HydrophobicContact CB-CG 4.14Å; R20-F48 HydrophobicContact CG-CD2 4.22Å; R20-F48 HydrophobicContact CG-CE2 4.44Å |
| 21 | L | 74.5 | Confident | 73.8 | Confident | 68 Ų | 68 | 88.6 Ų | 88.6 | 36% | 0.356 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 174.8 | -173.5 | 69.1 | 0 | 0 | 0 | 111.1 | F17 Q19 T24 L25 F48 | F17-L21 HydrophobicContact CE1-CD2 4.1Å; F17-L21 HydrophobicContact CZ-CD2 4.37Å; F17-L21 VanDerWaalsContact O-CB 3.31Å; F17-L21 WeakPolarHBondContact O-CB 3.16Å; F17-L21 PolarHBondContact O-N 2.95Å; Q19-L21 VanDerWaalsContact C-N 3.34Å; Q19-L21 PolarHBondContact O-N 3.16Å; L21-T24 PolarHBondContact O-N 3.44Å; L21-L25 HydrophobicContact CG-CD1 4.23Å; L21-L25 WeakPolarHBondContact O-CG 3.31Å; L21-L25 PolarHBondContact O-N 3.42Å; L21-F48 HydrophobicContact CD1-CD1 4.47Å |
| 22 | R | 74.9 | Confident | 74.1 | Confident | 196 Ų | 196 | 84.6 Ų | 84.6 | 74% | 0.74 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63.1 | -45.5 | 177.5 | -178.6 | -178 | -177.4 | 174.4 | 1.7 | 112 | C18 Q19 R20 T24 L25 K26 | C18-R22 VanDerWaalsContact O-CB 3.28Å; C18-R22 WeakPolarHBondContact O-CB 3.27Å; C18-R22 PolarHBondContact O-N 2.85Å; Q19-R22 WeakPolarHBondContact O-CB 3.09Å; Q19-R22 PolarHBondContact O-N 3.28Å; Q19-R22 VanDerWaalsContact O-N 3.16Å; R20-R22 VanDerWaalsContact C-N 3.34Å; R22-T24 PolarHBondContact O-N 3.44Å; R22-L25 PolarHBondContact O-N 2.89Å; R22-K26 WeakPolarHBondContact O-CB 3.5Å; R22-K26 PolarHBondContact O-N 3.3Å |
| 23 | E | 77.9 | Confident | 74.3 | Confident | 106 Ų | 106 | 85 Ų | 85 | 50% | 0.495 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.5 | -39.2 | 177.6 | -73.4 | 172 | -171.7 | 0 | 0 | 111 | Q19 R20 K26 C27 | Q19-E23 WeakPolarHBondContact CG-OE1 3.41Å; Q19-E23 PolarHBondContact NE2-OE1 3.28Å; Q19-E23 WeakPolarHBondContact O-CG 2.99Å; Q19-E23 PolarHBondContact O-N 3.01Å; R20-E23 PolarHBondContact O-N 2.91Å; E23-K26 PolarHBondContact O-N 3.42Å; E23-C27 WeakPolarHBondContact O-CB 3.33Å; E23-C27 PolarHBondContact O-N 2.94Å |
| 24 | T | 74.1 | Confident | 74.6 | Confident | 15 Ų | 15 | 86.3 Ų | 86.3 | 9% | 0.092 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -71 | -42.6 | 178.3 | -61.3 | 0 | 0 | 0 | 0 | 113.1 | R20 L21 R22 K26 C27 Y28 I47 F48 | R20-T24 WeakPolarHBondContact O-CB 3.2Å; R20-T24 PolarHBondContact O-N 2.84Å; R20-T24 PolarHBondContact O-OG1 3.06Å; L21-T24 PolarHBondContact O-N 3.44Å; R22-T24 PolarHBondContact O-N 3.44Å; T24-K26 VanDerWaalsContact C-N 3.31Å; T24-K26 PolarHBondContact O-N 2.91Å; T24-C27 VanDerWaalsContact O-CB 3.32Å; T24-C27 WeakPolarHBondContact O-CB 3.39Å; T24-C27 PolarHBondContact O-N 3.01Å; T24-Y28 HydrophobicContact CG2-CD2 3.79Å; T24-Y28 HydrophobicContact CG2-CE2 3.5Å; T24-Y28 WeakPolarHBondContact O-CD2 3.31Å; T24-Y28 PolarHBondContact O-N 3.12Å; T24-I47 HydrophobicContact CG2-CB 4.39Å; T24-I47 HydrophobicContact CG2-CG2 3.62Å; T24-F48 HydrophobicContact CG2-CB 4.03Å; T24-F48 WeakPolarHBondContact OG1-CA 3.39Å; T24-F48 WeakPolarHBondContact OG1-CB 3.27Å; T24-F48 PolarHBondContact OG1-N 3.02Å |
| 25 | L | 72.8 | Confident | 75.1 | Confident | 98 Ų | 98 | 84.6 Ų | 84.6 | 51% | 0.513 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 174 | -75.4 | 170.6 | 0 | 0 | 0 | 111.4 | L21 R22 C27 Y28 L29 | L21-L25 HydrophobicContact CG-CD1 4.23Å; L21-L25 WeakPolarHBondContact O-CG 3.31Å; L21-L25 PolarHBondContact O-N 3.42Å; R22-L25 PolarHBondContact O-N 2.89Å; L25-C27 VanDerWaalsContact C-N 3.34Å; L25-Y28 PolarHBondContact O-N 2.89Å; L25-L29 WeakPolarHBondContact O-CB 3.15Å; L25-L29 VanDerWaalsContact O-CG 3.26Å; L25-L29 WeakPolarHBondContact O-CG 3.42Å; L25-L29 PolarHBondContact O-N 3.32Å |
| 26 | K | 76.1 | Confident | 75 | Confident | 129 Ų | 129 | 88 Ų | 88 | 56% | 0.561 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -61.2 | -46.1 | 175.2 | -173.9 | -178.9 | 175.7 | -171.1 | 0 | 111 | R22 E23 T24 Y28 L29 D30 | R22-K26 WeakPolarHBondContact O-CB 3.5Å; R22-K26 PolarHBondContact O-N 3.3Å; E23-K26 PolarHBondContact O-N 3.42Å; T24-K26 VanDerWaalsContact C-N 3.31Å; T24-K26 PolarHBondContact O-N 2.91Å; K26-Y28 PolarHBondContact O-N 3.32Å; K26-L29 PolarHBondContact O-N 3.28Å; K26-D30 WeakPolarHBondContact O-CB 3.48Å; K26-D30 VanDerWaalsContact O-CG 3.25Å; K26-D30 PolarHBondContact O-N 3.49Å |
| 27 | C | 75.5 | Confident | 74.5 | Confident | 10 Ų | 10 | 88.7 Ų | 88.7 | 7% | 0.068 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -55 | -49.8 | 174.7 | 177.1 | 0 | 0 | 0 | 0 | 111.9 | E23 T24 L25 L29 D30 E31 C43 | E23-C27 WeakPolarHBondContact O-CB 3.33Å; E23-C27 PolarHBondContact O-N 2.94Å; T24-C27 VanDerWaalsContact O-CB 3.32Å; T24-C27 WeakPolarHBondContact O-CB 3.39Å; T24-C27 PolarHBondContact O-N 3.01Å; L25-C27 VanDerWaalsContact C-N 3.34Å; C27-L29 PolarHBondContact O-N 3.44Å; C27-D30 PolarHBondContact O-N 3.44Å; C27-E31 PolarHBondContact O-N 3.13Å; C27-C43 HydrophobicContact CB-CB 4.04Å; C27-C43 WeakPolarHBondContact CB-SG 3.44Å; C27-C43 WeakPolarHBondContact SG-CB 3.43Å; C27-C43 CovalentContact SG-SG 2Å; C27-C43 PolarHBondContact SG-SG 3.19Å |
| 28 | Y | 71.7 | Confident | 74.3 | Confident | 115 Ų | 115 | 86.2 Ų | 86.2 | 45% | 0.451 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 175.3 | -78.2 | -58.9 | 0 | 0 | 0 | 113.4 | T24 L25 K26 E31 I32 I47 | T24-Y28 HydrophobicContact CG2-CD2 3.79Å; T24-Y28 HydrophobicContact CG2-CE2 3.5Å; T24-Y28 WeakPolarHBondContact O-CD2 3.31Å; T24-Y28 PolarHBondContact O-N 3.12Å; L25-Y28 PolarHBondContact O-N 2.89Å; K26-Y28 PolarHBondContact O-N 3.32Å; Y28-E31 PolarHBondContact O-N 3.37Å; Y28-I32 WeakPolarHBondContact O-CG1 3.28Å; Y28-I32 PolarHBondContact O-N 2.89Å; Y28-I47 HydrophobicContact CE1-CD1 3.96Å; Y28-I47 HydrophobicContact CE2-CG2 3.83Å; Y28-I47 WeakPolarHBondContact OH-CG2 3.17Å |
| 29 | L | 71.9 | Confident | 74.6 | Confident | 104 Ų | 104 | 88.3 Ų | 88.3 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.5 | -37.3 | 177.6 | -73.3 | 169.3 | 0 | 0 | 0 | 112.1 | L25 K26 C27 E31 I32 | L25-L29 WeakPolarHBondContact O-CB 3.15Å; L25-L29 VanDerWaalsContact O-CG 3.26Å; L25-L29 WeakPolarHBondContact O-CG 3.42Å; L25-L29 PolarHBondContact O-N 3.32Å; K26-L29 PolarHBondContact O-N 3.28Å; C27-L29 PolarHBondContact O-N 3.44Å; L29-E31 VanDerWaalsContact C-N 3.31Å; L29-I32 HydrophobicContact CD2-CD1 3.92Å; L29-I32 PolarHBondContact O-N 2.92Å |
| 30 | D | 74.4 | Confident | 74.1 | Confident | 34 Ų | 34 | 85.1 Ų | 85.1 | 18% | 0.182 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -69.8 | -30.6 | 178.1 | -69.9 | -20.5 | 0 | 0 | 0 | 111.1 | K26 C27 Q39 G40 H41 | K26-D30 WeakPolarHBondContact O-CB 3.48Å; K26-D30 VanDerWaalsContact O-CG 3.25Å; K26-D30 PolarHBondContact O-N 3.49Å; C27-D30 PolarHBondContact O-N 3.44Å; D30-Q39 HydrophobicContact CB-CB 4.5Å; D30-Q39 CarbonylContact O-C 3.4Å; D30-Q39 PolarHBondContact O-N 3.12Å; D30-Q39 VanDerWaalsContact OD1-CD 3.23Å; D30-Q39 PolarHBondContact OD1-NE2 2.92Å; D30-Q39 PolarHBondContact OD1-OE1 3.27Å; D30-G40 PolarHBondContact O-N 3.03Å; D30-H41 HydrophobicContact CB-CB 4.44Å; D30-H41 PolarHBondContact O-N 3.4Å |
| 31 | E | 74.6 | Confident | 74.1 | Confident | 80 Ų | 80 | 85.4 Ų | 85.4 | 37% | 0.374 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -74.1 | -18.3 | 174.9 | -80.7 | -172.6 | 171 | 0 | 0 | 114.8 | C27 Y28 L29 D33 H41 C43 | C27-E31 PolarHBondContact O-N 3.13Å; Y28-E31 PolarHBondContact O-N 3.37Å; L29-E31 VanDerWaalsContact C-N 3.31Å; E31-D33 PolarHBondContact O-N 3.49Å; E31-H41 WeakPolarHBondContact CA-O 3.33Å; E31-H41 WeakPolarHBondContact CG-O 3.41Å; E31-C43 HydrophobicContact CG-CB 3.97Å; E31-C43 VanDerWaalsContact OE1-CB 3.25Å; E31-C43 WeakPolarHBondContact OE1-CB 3.39Å; E31-C43 PolarHBondContact OE1-N 2.9Å |
| 32 | I | 72.5 | Confident | 73.7 | Confident | 66 Ų | 66 | 86.2 Ų | 86.2 | 34% | 0.338 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -57.4 | 139.3 | 179.3 | -69.5 | 173 | 0 | 0 | 0 | 109.6 | Y28 L29 L36 G38 Q39 G40 | Y28-I32 WeakPolarHBondContact O-CG1 3.28Å; Y28-I32 PolarHBondContact O-N 2.89Å; L29-I32 HydrophobicContact CD2-CD1 3.92Å; L29-I32 PolarHBondContact O-N 2.92Å; I32-L36 HydrophobicContact CG2-CB 3.77Å; I32-G38 CarbonylContact O-C 3.35Å; I32-G38 WeakPolarHBondContact O-CA 3.28Å; I32-Q39 PolarHBondContact O-N 3.32Å; I32-G40 PolarHBondContact O-N 3.39Å |
| 33 | D | 74 | Confident | 73.3 | Confident | 87 Ų | 87 | 79 Ų | 79 | 47% | 0.465 | 45% | 0.453 | S | S | . | . | trans | -53.3 | 133 | 177.7 | -171.1 | -69.3 | 0 | 0 | 0 | 110.7 | E31 S35 L36 G37 G38 | E31-D33 PolarHBondContact O-N 3.49Å; D33-S35 PolarHBondContact O-N 3.17Å; D33-S35 VanDerWaalsContact O-N 3.11Å; D33-S35 WeakPolarHBondContact OD1-CA 3.35Å; D33-S35 WeakPolarHBondContact OD1-CB 3.24Å; D33-S35 PolarHBondContact OD1-N 2.95Å; D33-S35 PolarHBondContact OD1-OG 2.87Å; D33-L36 WeakPolarHBondContact O-CA 3.32Å; D33-L36 PolarHBondContact O-N 2.76Å; D33-G37 PolarHBondContact O-N 3.45Å; D33-G38 PolarHBondContact O-N 2.87Å | ||
| 34 | P | 76.3 | Confident | 72.6 | Confident | 83 Ų | 83 | 81 Ų | 81 | 54% | 0.539 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -55.9 | -28.5 | 179 | -26.6 | 34.8 | 0 | 0 | 0 | 114.4 | L36 G37 G38 | P34-L36 PolarHBondContact O-N 2.89Å; P34-G37 PolarHBondContact O-N 3.28Å; P34-G38 WeakPolarHBondContact CA-O 3.43Å |
| 35 | S | 81.5 | Confident | 71.9 | Confident | 102 Ų | 102 | 82.4 Ų | 82.4 | 71% | 0.713 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -67.1 | -23.1 | 175 | 69.5 | 0 | 0 | 0 | 0 | 113.6 | D33 | D33-S35 PolarHBondContact O-N 3.17Å; D33-S35 VanDerWaalsContact O-N 3.11Å; D33-S35 WeakPolarHBondContact OD1-CA 3.35Å; D33-S35 WeakPolarHBondContact OD1-CB 3.24Å; D33-S35 PolarHBondContact OD1-N 2.95Å; D33-S35 PolarHBondContact OD1-OG 2.87Å |
| 36 | L | 75.3 | Confident | 71.2 | Confident | 144 Ų | 144 | 83.7 Ų | 83.7 | 75% | 0.754 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -95 | 5 | 172.8 | -61.2 | 177.4 | 0 | 0 | 0 | 112.4 | I32 D33 P34 | I32-L36 HydrophobicContact CG2-CB 3.77Å; D33-L36 WeakPolarHBondContact O-CA 3.32Å; D33-L36 PolarHBondContact O-N 2.76Å; P34-L36 PolarHBondContact O-N 2.89Å |
| 37 | G | 66.8 | Low | 70.6 | Confident | 72 Ų | 72 | 80.7 Ų | 80.7 | 74% | 0.742 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.8 | 12.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | D33 P34 | D33-G37 PolarHBondContact O-N 3.45Å; P34-G37 PolarHBondContact O-N 3.28Å |
| 38 | G | 70.8 | Confident | 70.2 | Confident | 17 Ų | 17 | 81.7 Ų | 81.7 | 18% | 0.175 | 49% | 0.494 | C | S | . | . | trans | -83.4 | -174.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I32 D33 P34 | I32-G38 CarbonylContact O-C 3.35Å; I32-G38 WeakPolarHBondContact O-CA 3.28Å; D33-G38 PolarHBondContact O-N 2.87Å; P34-G38 WeakPolarHBondContact CA-O 3.43Å | ||
| 39 | Q | 77 | Confident | 70.1 | Confident | 108 Ų | 108 | 79.3 Ų | 79.3 | 51% | 0.505 | 49% | 0.489 | S | S | . | . | trans | -98.6 | -12 | 178.6 | -57.5 | -171.9 | 6.7 | 0 | 0 | 113.5 | D30 I32 H41 | D30-Q39 HydrophobicContact CB-CB 4.5Å; D30-Q39 CarbonylContact O-C 3.4Å; D30-Q39 PolarHBondContact O-N 3.12Å; D30-Q39 VanDerWaalsContact OD1-CD 3.23Å; D30-Q39 PolarHBondContact OD1-NE2 2.92Å; D30-Q39 PolarHBondContact OD1-OE1 3.27Å; I32-Q39 PolarHBondContact O-N 3.32Å; Q39-H41 WeakPolarHBondContact CB-ND1 3.49Å; Q39-H41 PolarHBondContact O-N 3.48Å; Q39-H41 PolarHBondContact OE1-CE1 3.34Å; Q39-H41 PolarHBondContact OE1-ND1 2.94Å | ||
| 40 | G | 68.4 | Low | 70 | Confident | 43 Ų | 43 | 78.6 Ų | 78.6 | 44% | 0.443 | 49% | 0.485 | S | S | . | . | trans | 61.5 | 20.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D30 I32 | D30-G40 PolarHBondContact O-N 3.03Å; I32-G40 PolarHBondContact O-N 3.39Å | ||
| 41 | H | 74.9 | Confident | 70 | Confident | 116 Ų | 116 | 83.4 Ų | 83.4 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | trans | -86.4 | 121.8 | 179.6 | -70.5 | 134 | 0 | 0 | 0 | 109.8 | D30 E31 Q39 C43 | D30-H41 HydrophobicContact CB-CB 4.44Å; D30-H41 PolarHBondContact O-N 3.4Å; E31-H41 WeakPolarHBondContact CA-O 3.33Å; E31-H41 WeakPolarHBondContact CG-O 3.41Å; Q39-H41 WeakPolarHBondContact CB-ND1 3.49Å; Q39-H41 PolarHBondContact O-N 3.48Å; Q39-H41 PolarHBondContact OE1-CE1 3.34Å; Q39-H41 PolarHBondContact OE1-ND1 2.94Å; H41-C43 PolarHBondContact O-N 3.15Å | ||
| 42 | A | 67.1 | Low | 70.1 | Confident | 86 Ų | 86 | 85.1 Ų | 85.1 | 71% | 0.711 | 52% | 0.515 | S | S | * | . | trans | -63.2 | 122.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | T44 | A42-T44 PolarHBondContact O-N 2.73Š| ||
| 43 | C | 65.9 | Low | 70.2 | Confident | 45 Ų | 45 | 83.2 Ų | 83.2 | 30% | 0.304 | 50% | 0.504 | S | S | . | . | trans | -83.7 | 114.7 | 178.9 | -165.7 | 0 | 0 | 0 | 0 | 108.9 | C27 E31 H41 G45 | C27-C43 HydrophobicContact CB-CB 4.04Å; C27-C43 WeakPolarHBondContact CB-SG 3.44Å; C27-C43 WeakPolarHBondContact SG-CB 3.43Å; C27-C43 CovalentContact SG-SG 2Å; C27-C43 PolarHBondContact SG-SG 3.19Å; E31-C43 HydrophobicContact CG-CB 3.97Å; E31-C43 VanDerWaalsContact OE1-CB 3.25Å; E31-C43 WeakPolarHBondContact OE1-CB 3.39Å; E31-C43 PolarHBondContact OE1-N 2.9Å; H41-C43 PolarHBondContact O-N 3.15Å; C43-G45 VanDerWaalsContact C-N 3.27Å | ||
| 44 | T | 63.9 | Low | 70.2 | Confident | 148 Ų | 148 | 82.5 Ų | 82.5 | 91% | 0.908 | 50% | 0.499 | S | S | * | . | trans | -84.8 | -4.3 | -179.6 | 51.5 | 0 | 0 | 0 | 0 | 113 | A42 | A42-T44 PolarHBondContact O-N 2.73Š| ||
| 45 | G | 58.8 | Low | 70.2 | Confident | 44 Ų | 44 | 83 Ų | 83 | 45% | 0.454 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -86.1 | 150 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | C43 I47 | C43-G45 VanDerWaalsContact C-N 3.27Å; G45-I47 PolarHBondContact O-N 3.33Å |
| 46 | V | 57.7 | Low | 69.9 | Low | 124 Ų | 124 | 81 Ų | 81 | 75% | 0.752 | 48% | 0.483 | S | S | * | . | trans | -61 | 111.2 | 171.5 | 177.1 | 0 | 0 | 0 | 0 | 108.8 | F48 | V46-F48 PolarHBondContact O-N 3.24Š| ||
| 47 | I | 63.5 | Low | 69.9 | Low | 66 Ų | 66 | 77.2 Ų | 77.2 | 34% | 0.338 | 46% | 0.46 | S | S | . | . | trans | -49 | 128.9 | 164.1 | -65.8 | 169 | 0 | 0 | 0 | 107.3 | T24 Y28 G45 N49 | T24-I47 HydrophobicContact CG2-CB 4.39Å; T24-I47 HydrophobicContact CG2-CG2 3.62Å; Y28-I47 HydrophobicContact CE1-CD1 3.96Å; Y28-I47 HydrophobicContact CE2-CG2 3.83Å; Y28-I47 WeakPolarHBondContact OH-CG2 3.17Å; G45-I47 PolarHBondContact O-N 3.33Å; I47-N49 PolarHBondContact O-N 3.43Å | ||
| 48 | F | 66.2 | Low | 70.4 | Confident | 32 Ų | 32 | 81 Ų | 81 | 14% | 0.14 | 45% | 0.453 | C | S | . | . | trans | -46.7 | 105.3 | 179.9 | 170.2 | -111.8 | 0 | 0 | 0 | 110.8 | F17 R20 L21 T24 V46 L50 F53 | F17-F48 HydrophobicContact CD2-CE1 4.21Å; F17-F48 HydrophobicContact CD2-CE2 4.5Å; F17-F48 AromaticContact CD2-CZ 3.62Å; F17-F48 HydrophobicContact CD2-CZ 3.62Å; F17-F48 AromaticContact CE2-CE1 3.74Å; F17-F48 HydrophobicContact CE2-CE1 3.74Å; F17-F48 AromaticContact CE2-CZ 3.6Å; F17-F48 HydrophobicContact CE2-CZ 3.6Å; R20-F48 HydrophobicContact CB-CB 4.48Å; R20-F48 HydrophobicContact CB-CD2 3.4Å; R20-F48 HydrophobicContact CB-CE2 3.75Å; R20-F48 HydrophobicContact CB-CG 4.14Å; R20-F48 HydrophobicContact CG-CD2 4.22Å; R20-F48 HydrophobicContact CG-CE2 4.44Å; L21-F48 HydrophobicContact CD1-CD1 4.47Å; T24-F48 HydrophobicContact CG2-CB 4.03Å; T24-F48 WeakPolarHBondContact OG1-CA 3.39Å; T24-F48 WeakPolarHBondContact OG1-CB 3.27Å; T24-F48 PolarHBondContact OG1-N 3.02Å; V46-F48 PolarHBondContact O-N 3.24Å; F48-L50 HydrophobicContact CD1-CB 4.49Å; F48-L50 HydrophobicContact CE1-CB 4.03Å; F48-L50 HydrophobicContact CE1-CD1 3.73Å; F48-L50 HydrophobicContact CE1-CG 4.49Å; F48-L50 HydrophobicContact CZ-CD1 3.94Å; F48-L50 PolarHBondContact O-N 3.02Å; F48-F53 HydrophobicContact CD2-CB 4.41Å; F48-F53 HydrophobicContact CE2-CB 3.45Å; F48-F53 VanDerWaalsContact CE2-CB 3.45Å; F48-F53 HydrophobicContact CE2-CD1 4.17Å; F48-F53 AromaticContact CE2-CD2 3.76Å; F48-F53 HydrophobicContact CE2-CD2 3.76Å; F48-F53 AromaticContact CE2-CG 3.51Å; F48-F53 HydrophobicContact CE2-CG 3.51Å; F48-F53 HydrophobicContact CZ-CB 3.74Å; F48-F53 AromaticContact CZ-CD1 3.88Å; F48-F53 HydrophobicContact CZ-CD1 3.88Å; F48-F53 HydrophobicContact CZ-CD2 4.28Å; F48-F53 AromaticContact CZ-CG 3.68Å; F48-F53 HydrophobicContact CZ-CG 3.68Å | ||
| 49 | N | 71 | Confident | 70.7 | Confident | 65 Ų | 65 | 85 Ų | 85 | 35% | 0.348 | 47% | 0.47 | S | S | . | . | trans | -82.8 | 99.6 | 175.6 | -175.3 | -30.9 | 0 | 0 | 0 | 107.3 | I47 E51 Q52 F53 | I47-N49 PolarHBondContact O-N 3.43Å; N49-E51 PolarHBondContact O-N 3.44Å; N49-E51 VanDerWaalsContact OD1-CB 3.26Å; N49-E51 WeakPolarHBondContact OD1-CB 3.26Å; N49-E51 PolarHBondContact OD1-N 2.8Å; N49-Q52 HydrophobicContact CB-CB 4.12Å; N49-Q52 HydrophobicContact CB-CG 4.22Å; N49-Q52 PolarHBondContact O-N 3.31Å; N49-Q52 PolarHBondContact OD1-N 3.08Å; N49-Q52 VanDerWaalsContact OD1-N 3.15Å; N49-F53 PolarHBondContact O-N 3.2Å | ||
| 50 | L | 69.1 | Low | 70.7 | Confident | 88 Ų | 88 | 83.9 Ų | 83.9 | 46% | 0.461 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -55.9 | -35.9 | -179.6 | 178.5 | 62.1 | 0 | 0 | 0 | 111.9 | F17 F48 F53 I54 | F17-L50 HydrophobicContact CE2-CD1 4.07Å; F48-L50 HydrophobicContact CD1-CB 4.49Å; F48-L50 HydrophobicContact CE1-CB 4.03Å; F48-L50 HydrophobicContact CE1-CD1 3.73Å; F48-L50 HydrophobicContact CE1-CG 4.49Å; F48-L50 HydrophobicContact CZ-CD1 3.94Å; F48-L50 PolarHBondContact O-N 3.02Å; L50-F53 PolarHBondContact O-N 2.76Å; L50-I54 HydrophobicContact CD1-CD1 3.95Å; L50-I54 HydrophobicContact CD1-CG1 4.19Å; L50-I54 HydrophobicContact CG-CD1 3.83Å; L50-I54 HydrophobicContact CG-CG1 4.46Å; L50-I54 WeakPolarHBondContact O-CB 3.3Å; L50-I54 VanDerWaalsContact O-CG1 3.24Å; L50-I54 WeakPolarHBondContact O-CG1 3.42Å; L50-I54 PolarHBondContact O-N 3.1Å |
| 51 | E | 75 | Confident | 71.1 | Confident | 136 Ų | 136 | 83 Ų | 83 | 64% | 0.636 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.9 | -50.9 | 177.5 | -175.4 | -172.9 | 164.5 | 0 | 0 | 111.1 | N49 F53 I54 L55 | N49-E51 PolarHBondContact O-N 3.44Å; N49-E51 VanDerWaalsContact OD1-CB 3.26Å; N49-E51 WeakPolarHBondContact OD1-CB 3.26Å; N49-E51 PolarHBondContact OD1-N 2.8Å; E51-F53 VanDerWaalsContact C-N 3.27Å; E51-F53 PolarHBondContact O-N 2.87Å; E51-I54 PolarHBondContact O-N 2.94Å; E51-I54 VanDerWaalsContact O-N 3.17Å; E51-L55 HydrophobicContact CG-CD1 4.27Å; E51-L55 WeakPolarHBondContact O-CG 3.11Å; E51-L55 PolarHBondContact O-N 2.95Å |
| 52 | Q | 76.5 | Confident | 71.2 | Confident | 116 Ų | 116 | 85.5 Ų | 85.5 | 54% | 0.542 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.2 | -39.1 | 177.3 | -75.8 | -175 | -18.5 | 0 | 0 | 112 | N49 L55 S56 | N49-Q52 HydrophobicContact CB-CB 4.12Å; N49-Q52 HydrophobicContact CB-CG 4.22Å; N49-Q52 PolarHBondContact O-N 3.31Å; N49-Q52 PolarHBondContact OD1-N 3.08Å; N49-Q52 VanDerWaalsContact OD1-N 3.15Å; Q52-L55 PolarHBondContact O-N 3.34Å; Q52-S56 VanDerWaalsContact O-CB 3.31Å; Q52-S56 WeakPolarHBondContact O-CB 3.24Å; Q52-S56 PolarHBondContact O-N 3.47Å; Q52-S56 PolarHBondContact O-OG 3.36Å |
| 53 | F | 75.2 | Confident | 71.6 | Confident | 25 Ų | 25 | 87.7 Ų | 87.7 | 11% | 0.11 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 175.5 | 177.5 | -96.7 | 0 | 0 | 0 | 112 | L13 D16 F17 F48 N49 L50 E51 S56 F57 | L13-F53 HydrophobicContact CD1-CE1 4.36Å; L13-F53 HydrophobicContact CD1-CZ 3.77Å; L13-F53 HydrophobicContact CG-CZ 4.18Å; D16-F53 WeakPolarHBondContact OD2-CE2 3.49Å; F17-F53 HydrophobicContact CB-CE1 4.13Å; F17-F53 HydrophobicContact CB-CE2 4.4Å; F17-F53 HydrophobicContact CB-CZ 3.71Å; F17-F53 HydrophobicContact CD2-CD1 4.02Å; F17-F53 AromaticContact CD2-CE1 3.6Å; F17-F53 HydrophobicContact CD2-CE1 3.6Å; F17-F53 HydrophobicContact CD2-CZ 4.02Å; F17-F53 HydrophobicContact CG-CE1 4.31Å; F17-F53 HydrophobicContact CG-CZ 4.36Å; F48-F53 HydrophobicContact CD2-CB 4.41Å; F48-F53 HydrophobicContact CE2-CB 3.45Å; F48-F53 VanDerWaalsContact CE2-CB 3.45Å; F48-F53 HydrophobicContact CE2-CD1 4.17Å; F48-F53 AromaticContact CE2-CD2 3.76Å; F48-F53 HydrophobicContact CE2-CD2 3.76Å; F48-F53 AromaticContact CE2-CG 3.51Å; F48-F53 HydrophobicContact CE2-CG 3.51Å; F48-F53 HydrophobicContact CZ-CB 3.74Å; F48-F53 AromaticContact CZ-CD1 3.88Å; F48-F53 HydrophobicContact CZ-CD1 3.88Å; F48-F53 HydrophobicContact CZ-CD2 4.28Å; F48-F53 AromaticContact CZ-CG 3.68Å; F48-F53 HydrophobicContact CZ-CG 3.68Å; N49-F53 PolarHBondContact O-N 3.2Å; L50-F53 PolarHBondContact O-N 2.76Å; E51-F53 VanDerWaalsContact C-N 3.27Å; E51-F53 PolarHBondContact O-N 2.87Å; F53-S56 PolarHBondContact O-N 3.33Å; F53-F57 WeakPolarHBondContact O-CB 3.31Å; F53-F57 PolarHBondContact O-N 3.41Å |
| 54 | I | 72.5 | Confident | 72.1 | Confident | 73 Ų | 73 | 90.5 Ų | 90.5 | 37% | 0.374 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 178.2 | -70.8 | 167.3 | 0 | 0 | 0 | 111 | L50 E51 F57 W58 | L50-I54 HydrophobicContact CD1-CD1 3.95Å; L50-I54 HydrophobicContact CD1-CG1 4.19Å; L50-I54 HydrophobicContact CG-CD1 3.83Å; L50-I54 HydrophobicContact CG-CG1 4.46Å; L50-I54 WeakPolarHBondContact O-CB 3.3Å; L50-I54 VanDerWaalsContact O-CG1 3.24Å; L50-I54 WeakPolarHBondContact O-CG1 3.42Å; L50-I54 PolarHBondContact O-N 3.1Å; E51-I54 PolarHBondContact O-N 2.94Å; E51-I54 VanDerWaalsContact O-N 3.17Å; I54-F57 WeakPolarHBondContact O-CB 3.25Å; I54-F57 PolarHBondContact O-N 3.26Å; I54-W58 PolarHBondContact O-N 2.93Å |
| 55 | L | 77.2 | Confident | 72.7 | Confident | 94 Ų | 94 | 86.6 Ų | 86.6 | 49% | 0.492 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.5 | -49.2 | 176.5 | -70.4 | 173.7 | 0 | 0 | 0 | 111.1 | E51 Q52 F57 W58 D59 | E51-L55 HydrophobicContact CG-CD1 4.27Å; E51-L55 WeakPolarHBondContact O-CG 3.11Å; E51-L55 PolarHBondContact O-N 2.95Å; Q52-L55 PolarHBondContact O-N 3.34Å; L55-F57 PolarHBondContact O-N 2.82Å; L55-W58 PolarHBondContact O-N 3.42Å; L55-W58 VanDerWaalsContact O-N 3.12Å; L55-D59 PolarHBondContact O-N 3.37Å |
| 56 | S | 75.5 | Confident | 73.6 | Confident | 60 Ų | 60 | 86.4 Ų | 86.4 | 42% | 0.42 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.9 | -37.2 | 177.8 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | Q52 F53 N60 | Q52-S56 VanDerWaalsContact O-CB 3.31Å; Q52-S56 WeakPolarHBondContact O-CB 3.24Å; Q52-S56 PolarHBondContact O-N 3.47Å; Q52-S56 PolarHBondContact O-OG 3.36Å; F53-S56 PolarHBondContact O-N 3.33Å; S56-N60 WeakPolarHBondContact O-CB 2.86Å; S56-N60 PolarHBondContact O-N 3.45Å; S56-N60 PolarHBondContact O-ND2 2.93Å |
| 57 | F | 76 | Confident | 74.4 | Confident | 63 Ų | 63 | 82 Ų | 82 | 28% | 0.276 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.2 | -49.7 | 174.6 | 168.2 | -110.3 | 0 | 0 | 0 | 112.1 | L13 F53 I54 L55 D59 N60 L61 | L13-F57 HydrophobicContact CD1-CB 4.23Å; L13-F57 HydrophobicContact CD1-CD2 3.12Å; L13-F57 HydrophobicContact CD1-CE2 3.59Å; L13-F57 HydrophobicContact CD1-CG 3.9Å; L13-F57 HydrophobicContact CD2-CD2 3.97Å; L13-F57 HydrophobicContact CD2-CE2 3.66Å; L13-F57 HydrophobicContact CD2-CZ 4.15Å; L13-F57 HydrophobicContact CG-CD2 4.14Å; L13-F57 HydrophobicContact CG-CE2 4.18Å; F53-F57 WeakPolarHBondContact O-CB 3.31Å; F53-F57 PolarHBondContact O-N 3.41Å; I54-F57 WeakPolarHBondContact O-CB 3.25Å; I54-F57 PolarHBondContact O-N 3.26Å; L55-F57 PolarHBondContact O-N 2.82Å; F57-D59 VanDerWaalsContact C-N 3.34Å; F57-D59 PolarHBondContact O-N 2.97Å; F57-N60 PolarHBondContact O-N 3.4Å; F57-L61 HydrophobicContact CE1-CD2 4.26Å; F57-L61 HydrophobicContact CZ-CD2 4.01Å; F57-L61 WeakPolarHBondContact O-CB 3.29Å; F57-L61 PolarHBondContact O-N 2.85Å |
| 58 | W | 76 | Confident | 74.9 | Confident | 153 Ų | 153 | 81.3 Ų | 81.3 | 58% | 0.58 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.7 | -40.4 | -179.8 | -80.4 | 114.7 | 0 | 0 | 0 | 112.2 | I54 L55 L61 Y62 | I54-W58 PolarHBondContact O-N 2.93Å; L55-W58 PolarHBondContact O-N 3.42Å; L55-W58 VanDerWaalsContact O-N 3.12Å; W58-L61 HydrophobicContact CE3-CD2 4.05Å; W58-L61 HydrophobicContact CZ3-CD2 3.86Å; W58-L61 PolarHBondContact O-N 3.34Å; W58-Y62 WeakPolarHBondContact O-CB 3.31Å; W58-Y62 PolarHBondContact O-N 2.9Å |
| 59 | D | 78.4 | Confident | 75.3 | Confident | 100 Ų | 100 | 87.2 Ų | 87.2 | 54% | 0.535 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.8 | -49.7 | 176.7 | -71 | -21 | 0 | 0 | 0 | 111.1 | L55 F57 L61 Y62 E63 | L55-D59 PolarHBondContact O-N 3.37Å; F57-D59 VanDerWaalsContact C-N 3.34Å; F57-D59 PolarHBondContact O-N 2.97Å; D59-L61 PolarHBondContact O-N 3.06Å; D59-Y62 PolarHBondContact O-N 3.04Å; D59-E63 WeakPolarHBondContact O-CG 3.28Å; D59-E63 PolarHBondContact O-N 3.02Å |
| 60 | N | 76 | Confident | 75.4 | Confident | 85 Ų | 85 | 90.6 Ų | 90.6 | 46% | 0.455 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 178 | -80.9 | -71.7 | 0 | 0 | 0 | 112.3 | S56 F57 Y62 E63 H64 | S56-N60 WeakPolarHBondContact O-CB 2.86Å; S56-N60 PolarHBondContact O-N 3.45Å; S56-N60 PolarHBondContact O-ND2 2.93Å; F57-N60 PolarHBondContact O-N 3.4Å; N60-Y62 VanDerWaalsContact C-N 3.35Å; N60-E63 PolarHBondContact O-N 3.45Å; N60-H64 WeakPolarHBondContact O-CB 3.41Å; N60-H64 PolarHBondContact O-CD2 3.37Å; N60-H64 PolarHBondContact O-N 2.9Å |
| 61 | L | 76.8 | Confident | 75.5 | Confident | 25 Ų | 25 | 87.7 Ų | 87.7 | 13% | 0.131 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 177.7 | 178.5 | 63.1 | 0 | 0 | 0 | 110.9 | L9 F57 W58 D59 H64 L65 | L9-L61 HydrophobicContact CD1-CD1 4.1Å; F57-L61 HydrophobicContact CE1-CD2 4.26Å; F57-L61 HydrophobicContact CZ-CD2 4.01Å; F57-L61 WeakPolarHBondContact O-CB 3.29Å; F57-L61 PolarHBondContact O-N 2.85Å; W58-L61 HydrophobicContact CE3-CD2 4.05Å; W58-L61 HydrophobicContact CZ3-CD2 3.86Å; W58-L61 PolarHBondContact O-N 3.34Å; D59-L61 PolarHBondContact O-N 3.06Å; L61-H64 PolarHBondContact O-N 3.4Å; L61-L65 HydrophobicContact CD1-CD1 3.88Å; L61-L65 HydrophobicContact CD1-CG 4.06Å; L61-L65 HydrophobicContact CD2-CD1 4.5Å; L61-L65 HydrophobicContact CG-CD1 3.85Å; L61-L65 HydrophobicContact CG-CG 4.4Å; L61-L65 WeakPolarHBondContact O-CB 3.19Å; L61-L65 VanDerWaalsContact O-CG 3.31Å; L61-L65 WeakPolarHBondContact O-CG 3.17Å; L61-L65 PolarHBondContact O-N 2.9Å |
| 62 | Y | 76.3 | Confident | 75.3 | Confident | 168 Ų | 168 | 85.1 Ų | 85.1 | 66% | 0.659 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.3 | -48 | 177.2 | 175.1 | -98.8 | 0 | 0 | 0 | 111.1 | W58 D59 N60 H64 L65 A66 | W58-Y62 WeakPolarHBondContact O-CB 3.31Å; W58-Y62 PolarHBondContact O-N 2.9Å; D59-Y62 PolarHBondContact O-N 3.04Å; N60-Y62 VanDerWaalsContact C-N 3.35Å; Y62-H64 PolarHBondContact O-N 3.41Å; Y62-L65 PolarHBondContact O-N 3.33Å; Y62-A66 WeakPolarHBondContact O-CB 3.42Å; Y62-A66 PolarHBondContact O-N 3.41Å |
| 63 | E | 76.3 | Confident | 75.1 | Confident | 131 Ų | 131 | 83.9 Ų | 83.9 | 61% | 0.612 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60 | -45.9 | 178.1 | -75.1 | -170.6 | 170.2 | 0 | 0 | 112.2 | D59 N60 A66 G67 | D59-E63 WeakPolarHBondContact O-CG 3.28Å; D59-E63 PolarHBondContact O-N 3.02Å; N60-E63 PolarHBondContact O-N 3.45Å; E63-A66 PolarHBondContact O-N 2.94Å; E63-G67 PolarHBondContact O-N 2.97Å |
| 64 | H | 76.5 | Confident | 75.2 | Confident | 105 Ų | 105 | 83.9 Ų | 83.9 | 49% | 0.486 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 178.9 | -78.5 | -56.1 | 0 | 0 | 0 | 112.8 | N60 L61 Y62 T68 | N60-H64 WeakPolarHBondContact O-CB 3.41Å; N60-H64 PolarHBondContact O-CD2 3.37Å; N60-H64 PolarHBondContact O-N 2.9Å; L61-H64 PolarHBondContact O-N 3.4Å; Y62-H64 PolarHBondContact O-N 3.41Å; H64-T68 WeakPolarHBondContact O-CB 3.31Å; H64-T68 PolarHBondContact O-N 3.07Å; H64-T68 PolarHBondContact O-OG1 2.94Å |
| 65 | L | 77.1 | Confident | 75.3 | Confident | 65 Ų | 65 | 83.1 Ų | 83.1 | 34% | 0.34 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.2 | -46.7 | 175.7 | -75.3 | 174 | 0 | 0 | 0 | 110.9 | L61 Y62 G67 T68 W69 | L61-L65 HydrophobicContact CD1-CD1 3.88Å; L61-L65 HydrophobicContact CD1-CG 4.06Å; L61-L65 HydrophobicContact CD2-CD1 4.5Å; L61-L65 HydrophobicContact CG-CD1 3.85Å; L61-L65 HydrophobicContact CG-CG 4.4Å; L61-L65 WeakPolarHBondContact O-CB 3.19Å; L61-L65 VanDerWaalsContact O-CG 3.31Å; L61-L65 WeakPolarHBondContact O-CG 3.17Å; L61-L65 PolarHBondContact O-N 2.9Å; Y62-L65 PolarHBondContact O-N 3.33Å; L65-G67 VanDerWaalsContact C-N 3.32Å; L65-G67 PolarHBondContact O-N 3.16Å; L65-T68 PolarHBondContact O-N 2Å; L65-W69 WeakPolarHBondContact O-CB 3.4Å; L65-W69 PolarHBondContact O-N 3.38Å |
| 66 | A | 76.9 | Confident | 75.1 | Confident | 40 Ų | 40 | 81.8 Ų | 81.8 | 33% | 0.331 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.3 | -43.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y62 E63 W69 K70 | Y62-A66 WeakPolarHBondContact O-CB 3.42Å; Y62-A66 PolarHBondContact O-N 3.41Å; E63-A66 PolarHBondContact O-N 2.94Å; A66-W69 PolarHBondContact O-N 3.48Å; A66-K70 WeakPolarHBondContact O-CB 3.45Å; A66-K70 PolarHBondContact O-N 3.44Å |
| 67 | G | 74.9 | Confident | 75.1 | Confident | 33 Ų | 33 | 82.5 Ų | 82.5 | 34% | 0.34 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E63 L65 K70 C71 | E63-G67 PolarHBondContact O-N 2.97Å; L65-G67 VanDerWaalsContact C-N 3.32Å; L65-G67 PolarHBondContact O-N 3.16Å; G67-K70 PolarHBondContact O-N 3.33Å; G67-C71 PolarHBondContact O-N 3.49Å; G67-C71 PolarHBondContact O-SG 3.37Å |
| 68 | T | 73.6 | Confident | 75.2 | Confident | 50 Ų | 50 | 84.9 Ų | 84.9 | 31% | 0.307 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.4 | -48.9 | 177.1 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | H64 L65 C71 L72 | H64-T68 WeakPolarHBondContact O-CB 3.31Å; H64-T68 PolarHBondContact O-N 3.07Å; H64-T68 PolarHBondContact O-OG1 2.94Å; L65-T68 PolarHBondContact O-N 2Å; T68-C71 PolarHBondContact O-N 3.43Å; T68-L72 HydrophobicContact CG2-CD1 4.22Å; T68-L72 WeakPolarHBondContact O-CG 3.33Å; T68-L72 PolarHBondContact O-N 2.92Å |
| 69 | W | 73.8 | Confident | 75.3 | Confident | 156 Ų | 156 | 84 Ų | 84 | 59% | 0.591 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63 | -42.6 | 177.5 | -80.5 | 116.4 | 0 | 0 | 0 | 112 | L65 A66 C71 L72 L73 | L65-W69 WeakPolarHBondContact O-CB 3.4Å; L65-W69 PolarHBondContact O-N 3.38Å; A66-W69 PolarHBondContact O-N 3.48Å; W69-C71 VanDerWaalsContact C-N 3.3Å; W69-C71 PolarHBondContact O-N 3.19Å; W69-L72 HydrophobicContact CE3-CD1 4.06Å; W69-L72 HydrophobicContact CZ3-CD1 4.23Å; W69-L72 CarbonylContact O-C 3.6Å; W69-L72 PolarHBondContact O-N 3.3Å; W69-L72 VanDerWaalsContact O-N 3.14Å; W69-L73 WeakPolarHBondContact O-CB 3.45Å; W69-L73 VanDerWaalsContact O-CG 3.26Å; W69-L73 WeakPolarHBondContact O-CG 3.25Å; W69-L73 PolarHBondContact O-N 2.86Å |
| 70 | K | 73.1 | Confident | 75.3 | Confident | 137 Ų | 137 | 84.9 Ų | 84.9 | 60% | 0.596 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -56.8 | -46.7 | 174.6 | -176 | 179.1 | -179.4 | -179.2 | 0 | 110.8 | A66 G67 L72 L73 Q74 | A66-K70 WeakPolarHBondContact O-CB 3.45Å; A66-K70 PolarHBondContact O-N 3.44Å; G67-K70 PolarHBondContact O-N 3.33Å; K70-L72 PolarHBondContact O-N 2.91Å; K70-L73 PolarHBondContact O-N 2.97Å; K70-Q74 VanDerWaalsContact O-CG 3.28Å; K70-Q74 WeakPolarHBondContact O-CG 2.81Å; K70-Q74 PolarHBondContact O-N 3.26Å |
| 71 | C | 71.2 | Confident | 75.1 | Confident | 27 Ų | 27 | 83.7 Ų | 83.7 | 18% | 0.182 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.2 | -37.3 | 176.5 | -73.3 | 0 | 0 | 0 | 0 | 113.1 | G67 T68 W69 C87 Y88 | G67-C71 PolarHBondContact O-N 3.49Å; G67-C71 PolarHBondContact O-SG 3.37Å; T68-C71 PolarHBondContact O-N 3.43Å; W69-C71 VanDerWaalsContact C-N 3.3Å; W69-C71 PolarHBondContact O-N 3.19Å; C71-C87 WeakPolarHBondContact CA-SG 3.49Å; C71-C87 HydrophobicContact CB-CB 3.5Å; C71-C87 VanDerWaalsContact CB-CB 3.5Å; C71-C87 WeakPolarHBondContact CB-SG 3.4Å; C71-C87 WeakPolarHBondContact SG-CB 3.36Å; C71-C87 CovalentContact SG-SG 2.06Å; C71-C87 PolarHBondContact SG-SG 3.37Å; C71-Y88 HydrophobicContact CB-CD2 4.31Å; C71-Y88 HydrophobicContact CB-CE2 4.1Å |
| 72 | L | 70.9 | Confident | 75.1 | Confident | 81 Ų | 81 | 83 Ų | 83 | 42% | 0.424 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70 | -35.8 | 175.2 | -72.8 | 172.4 | 0 | 0 | 0 | 112.9 | T68 W69 K70 Q74 V75 | T68-L72 HydrophobicContact CG2-CD1 4.22Å; T68-L72 WeakPolarHBondContact O-CG 3.33Å; T68-L72 PolarHBondContact O-N 2.92Å; W69-L72 HydrophobicContact CE3-CD1 4.06Å; W69-L72 HydrophobicContact CZ3-CD1 4.23Å; W69-L72 CarbonylContact O-C 3.6Å; W69-L72 PolarHBondContact O-N 3.3Å; W69-L72 VanDerWaalsContact O-N 3.14Å; K70-L72 PolarHBondContact O-N 2.91Å; L72-Q74 VanDerWaalsContact C-N 3.32Å; L72-V75 WeakPolarHBondContact O-CG2 3.44Å |
| 73 | L | 73.6 | Confident | 74.9 | Confident | 91 Ų | 91 | 79.9 Ų | 79.9 | 48% | 0.476 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -75.1 | -26.9 | 178.6 | -68.3 | 173.8 | 0 | 0 | 0 | 111.5 | W69 K70 V75 L76 G82 | W69-L73 WeakPolarHBondContact O-CB 3.45Å; W69-L73 VanDerWaalsContact O-CG 3.26Å; W69-L73 WeakPolarHBondContact O-CG 3.25Å; W69-L73 PolarHBondContact O-N 2.86Å; K70-L73 PolarHBondContact O-N 2.97Å; L73-V75 VanDerWaalsContact C-N 3.27Å; L73-V75 PolarHBondContact O-N 3.38Å; L73-L76 HydrophobicContact CB-CD1 4.45Å; L73-L76 HydrophobicContact CD2-CD1 3.63Å; L73-L76 VanDerWaalsContact O-CB 3.24Å; L73-L76 WeakPolarHBondContact O-CB 2.98Å; L73-L76 WeakPolarHBondContact O-CG 3.45Å; L73-L76 PolarHBondContact O-N 3.37Å; L73-L76 VanDerWaalsContact O-N 3.13Å; L73-G82 WeakPolarHBondContact O-CA 3.16Å |
| 74 | Q | 77.1 | Confident | 74.6 | Confident | 25 Ų | 25 | 81.5 Ų | 81.5 | 12% | 0.117 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64 | -26.9 | 176.4 | -80.1 | 175.1 | -17.4 | 0 | 0 | 113.9 | K70 L72 L76 Q83 P86 C87 | K70-Q74 VanDerWaalsContact O-CG 3.28Å; K70-Q74 WeakPolarHBondContact O-CG 2.81Å; K70-Q74 PolarHBondContact O-N 3.26Å; L72-Q74 VanDerWaalsContact C-N 3.32Å; Q74-L76 PolarHBondContact O-N 3.42Å; Q74-Q83 HydrophobicContact CB-CB 4.36Å; Q74-Q83 HydrophobicContact CG-CB 4.19Å; Q74-Q83 HydrophobicContact CG-CG 4.02Å; Q74-Q83 PolarHBondContact O-N 2.75Å; Q74-P86 HydrophobicContact CB-CB 3.93Å; Q74-C87 PolarHBondContact OE1-SG 2.97Å |
| 75 | V | 74.5 | Confident | 74.2 | Confident | 57 Ų | 57 | 83.2 Ų | 83.2 | 35% | 0.345 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -6.7 | 176.1 | -70.4 | 0 | 0 | 0 | 0 | 113.4 | L72 L73 P86 | L72-V75 WeakPolarHBondContact O-CG2 3.44Å; L73-V75 VanDerWaalsContact C-N 3.27Å; L73-V75 PolarHBondContact O-N 3.38Å; V75-P86 HydrophobicContact CB-CB 4.38Å; V75-P86 HydrophobicContact CG1-CB 3.46Å; V75-P86 VanDerWaalsContact CG1-CB 3.46Å; V75-P86 HydrophobicContact CG1-CG 3.77Å |
| 76 | L | 73.2 | Confident | 73.8 | Confident | 66 Ų | 66 | 81.5 Ų | 81.5 | 35% | 0.346 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -63.2 | 159.2 | 172.2 | -66.3 | 176.7 | 0 | 0 | 0 | 110.5 | L73 Q74 L80 G82 | L73-L76 HydrophobicContact CB-CD1 4.45Å; L73-L76 HydrophobicContact CD2-CD1 3.63Å; L73-L76 VanDerWaalsContact O-CB 3.24Å; L73-L76 WeakPolarHBondContact O-CB 2.98Å; L73-L76 WeakPolarHBondContact O-CG 3.45Å; L73-L76 PolarHBondContact O-N 3.37Å; L73-L76 VanDerWaalsContact O-N 3.13Å; Q74-L76 PolarHBondContact O-N 3.42Å; L76-L80 HydrophobicContact CB-CB 4.25Å; L76-L80 HydrophobicContact CD1-CB 4.38Å; L76-G82 VanDerWaalsContact O-CA 3.3Å; L76-G82 WeakPolarHBondContact O-CA 3.43Å |
| 77 | P | 74.2 | Confident | 73.3 | Confident | 74 Ų | 74 | 82.9 Ų | 82.9 | 48% | 0.481 | 45% | 0.448 | S | S | . | . | trans | -61.8 | 148.6 | 169.3 | 26.9 | -34.8 | 0 | 0 | 0 | 110.7 | N79 L80 G82 | P77-N79 WeakPolarHBondContact CB-OD1 3.45Å; P77-N79 VanDerWaalsContact CG-OD1 3.28Å; P77-N79 WeakPolarHBondContact CG-OD1 3.43Å; P77-N79 PolarHBondContact O-N 2.92Å; P77-N79 VanDerWaalsContact O-N 3.08Å; P77-L80 HydrophobicContact CG-CB 4.4Å; P77-L80 HydrophobicContact CG-CD1 3.93Å; P77-L80 HydrophobicContact CG-CG 4.14Å; P77-L80 PolarHBondContact O-N 3.34Å; P77-G82 PolarHBondContact O-N 3.26Å | ||
| 78 | E | 78.5 | Confident | 72.6 | Confident | 113 Ų | 113 | 87.6 Ų | 87.6 | 53% | 0.528 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -56.2 | -30.6 | -174 | -68.3 | -171 | 143.1 | 0 | 0 | 113 | L80 G81 K84 | E78-L80 PolarHBondContact O-N 2.92Å; E78-G81 PolarHBondContact O-N 3.49Å; E78-K84 VanDerWaalsContact OE1-CD 3.25Å; E78-K84 WeakPolarHBondContact OE1-CD 3.21Å; E78-K84 WeakPolarHBondContact OE1-CE 3.26Å; E78-K84 WeakPolarHBondContact OE1-CG 3.32Å; E78-K84 IonicContact OE1-NZ 2.8Å |
| 79 | N | 79.3 | Confident | 71.8 | Confident | 135 Ų | 135 | 90.1 Ų | 90.1 | 72% | 0.722 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -66.8 | -19.2 | 176.9 | 69 | -29.8 | 0 | 0 | 0 | 113.9 | P77 | P77-N79 WeakPolarHBondContact CB-OD1 3.45Å; P77-N79 VanDerWaalsContact CG-OD1 3.28Å; P77-N79 WeakPolarHBondContact CG-OD1 3.43Å; P77-N79 PolarHBondContact O-N 2.92Å; P77-N79 VanDerWaalsContact O-N 3.08Å |
| 80 | L | 77.7 | Confident | 70.9 | Confident | 118 Ų | 118 | 88.8 Ų | 88.8 | 62% | 0.618 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -101.4 | 13.3 | 172.8 | -63.2 | -179.6 | 0 | 0 | 0 | 112.3 | L76 P77 E78 | L76-L80 HydrophobicContact CB-CB 4.25Å; L76-L80 HydrophobicContact CD1-CB 4.38Å; P77-L80 HydrophobicContact CG-CB 4.4Å; P77-L80 HydrophobicContact CG-CD1 3.93Å; P77-L80 HydrophobicContact CG-CG 4.14Å; P77-L80 PolarHBondContact O-N 3.34Å; E78-L80 PolarHBondContact O-N 2.92Å |
| 81 | G | 71.2 | Confident | 70.1 | Confident | 61 Ų | 61 | 89 Ų | 89 | 63% | 0.629 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.7 | 11.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E78 | E78-G81 PolarHBondContact O-N 3.49Š|
| 82 | G | 77.2 | Confident | 69 | Low | 9 Ų | 9 | 93.4 Ų | 93.4 | 9% | 0.093 | 51% | 0.505 | C | S | . | . | trans | -73.2 | 178.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L73 L76 P77 | L73-G82 WeakPolarHBondContact O-CA 3.16Å; L76-G82 VanDerWaalsContact O-CA 3.3Å; L76-G82 WeakPolarHBondContact O-CA 3.43Å; P77-G82 PolarHBondContact O-N 3.26Å | ||
| 83 | Q | 73 | Confident | 67.6 | Low | 104 Ų | 104 | 95.4 Ų | 95.4 | 49% | 0.486 | 52% | 0.521 | S | S | . | . | trans | -129.5 | 146.2 | -176.8 | -68.4 | -172.1 | -13.2 | 0 | 0 | 111.2 | Q74 N85 P86 | Q74-Q83 HydrophobicContact CB-CB 4.36Å; Q74-Q83 HydrophobicContact CG-CB 4.19Å; Q74-Q83 HydrophobicContact CG-CG 4.02Å; Q74-Q83 PolarHBondContact O-N 2.75Å; Q83-N85 PolarHBondContact O-N 2.55Å; Q83-P86 WeakPolarHBondContact O-CD 3.45Å | ||
| 84 | K | 69.1 | Low | 65.8 | Low | 164 Ų | 164 | 103.4 Ų | 103.4 | 71% | 0.713 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -55.3 | -34.4 | 174.5 | -89.2 | 161.6 | -171.9 | 176.7 | 0 | 114.5 | E78 P86 | E78-K84 VanDerWaalsContact OE1-CD 3.25Å; E78-K84 WeakPolarHBondContact OE1-CD 3.21Å; E78-K84 WeakPolarHBondContact OE1-CE 3.26Å; E78-K84 WeakPolarHBondContact OE1-CG 3.32Å; E78-K84 IonicContact OE1-NZ 2.8Å; K84-P86 VanDerWaalsContact C-CD 3.47Å; K84-P86 VanDerWaalsContact O-CD 3.29Å; K84-P86 WeakPolarHBondContact O-CD 3.2Å |
| 85 | N | 69.1 | Low | 65.2 | Low | 142 Ų | 142 | 107.3 Ų | 107.3 | 76% | 0.759 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -118.5 | 78.3 | -179.3 | -68.7 | -16 | 0 | 0 | 0 | 110 | Q83 | Q83-N85 PolarHBondContact O-N 2.55Š|
| 86 | P | 67.4 | Low | 64.7 | Low | 28 Ų | 28 | 109.9 Ų | 109.9 | 18% | 0.182 | 59% | 0.59 | C | S | . | * | trans | -67.8 | 157.6 | 177.8 | 27.3 | -33.7 | 0 | 0 | 0 | 112.6 | Q74 V75 Q83 K84 Y88 | Q74-P86 HydrophobicContact CB-CB 3.93Å; V75-P86 HydrophobicContact CB-CB 4.38Å; V75-P86 HydrophobicContact CG1-CB 3.46Å; V75-P86 VanDerWaalsContact CG1-CB 3.46Å; V75-P86 HydrophobicContact CG1-CG 3.77Å; Q83-P86 WeakPolarHBondContact O-CD 3.45Å; K84-P86 VanDerWaalsContact C-CD 3.47Å; K84-P86 VanDerWaalsContact O-CD 3.29Å; K84-P86 WeakPolarHBondContact O-CD 3.2Å; P86-Y88 VanDerWaalsContact CG-O 3.27Å; P86-Y88 WeakPolarHBondContact CG-O 3.15Å; P86-Y88 PolarHBondContact O-N 3Å; P86-Y88 VanDerWaalsContact O-N 3.12Å | ||
| 87 | C | 66.4 | Low | 64.3 | Low | 70 Ų | 70 | 112.4 Ų | 112.4 | 47% | 0.473 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -54.4 | -30 | 172.7 | -54.7 | 0 | 0 | 0 | 0 | 113 | C71 Q74 | C71-C87 WeakPolarHBondContact CA-SG 3.49Å; C71-C87 HydrophobicContact CB-CB 3.5Å; C71-C87 VanDerWaalsContact CB-CB 3.5Å; C71-C87 WeakPolarHBondContact CB-SG 3.4Å; C71-C87 WeakPolarHBondContact SG-CB 3.36Å; C71-C87 CovalentContact SG-SG 2.06Å; C71-C87 PolarHBondContact SG-SG 3.37Å; Q74-C87 PolarHBondContact OE1-SG 2.97Å |
| 88 | Y | 60.6 | Low | 63.7 | Low | 131 Ų | 131 | 114.6 Ų | 114.6 | 51% | 0.514 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -108.3 | 110.7 | 176.5 | -69 | -73.6 | 0 | 0 | 0 | 109.7 | C71 P86 L90 | C71-Y88 HydrophobicContact CB-CD2 4.31Å; C71-Y88 HydrophobicContact CB-CE2 4.1Å; P86-Y88 VanDerWaalsContact CG-O 3.27Å; P86-Y88 WeakPolarHBondContact CG-O 3.15Å; P86-Y88 PolarHBondContact O-N 3Å; P86-Y88 VanDerWaalsContact O-N 3.12Å; Y88-L90 PolarHBondContact O-N 2.9Å |
| 89 | N | 56 | Low | 62.7 | Low | 104 Ų | 104 | 114.8 Ų | 114.8 | 56% | 0.556 | 62% | 0.616 | S | S | * | * | trans | -74 | 111.2 | 168.6 | -123.9 | -25.9 | 0 | 0 | 0 | 108 | N91 T92 | N89-N91 PolarHBondContact O-N 3.25Å; N89-T92 PolarHBondContact O-N 3.42Å; N89-T92 VanDerWaalsContact O-N 3.11Å; N89-T92 PolarHBondContact O-OG1 3.37Å | ||
| 90 | L | 56.1 | Low | 61.6 | Low | 127 Ų | 127 | 113.4 Ų | 113.4 | 67% | 0.665 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -56.6 | -21.8 | 176.4 | -74.5 | 165.7 | 0 | 0 | 0 | 112.2 | Y88 T92 T93 | Y88-L90 PolarHBondContact O-N 2.9Å; L90-T92 VanDerWaalsContact C-N 3.32Å; L90-T92 PolarHBondContact O-N 3.18Å; L90-T93 PolarHBondContact O-OG1 3.42Å; L90-T93 VanDerWaalsContact O-OG1 3.06Å |
| 91 | N | 56.5 | Low | 60.5 | Low | 143 Ų | 143 | 113.1 Ų | 113.1 | 77% | 0.765 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -76.8 | -4.1 | 179.6 | -68.8 | -4.1 | 0 | 0 | 0 | 115.2 | N89 T93 | N89-N91 PolarHBondContact O-N 3.25Å; N91-T93 PolarHBondContact O-N 3.06Å |
| 92 | T | 47.6 | Very low | 59.7 | Low | 118 Ų | 118 | 117.1 Ų | 117.1 | 72% | 0.724 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -89.6 | 24.3 | 172.3 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | N89 L90 Q94 | N89-T92 PolarHBondContact O-N 3.42Å; N89-T92 VanDerWaalsContact O-N 3.11Å; N89-T92 PolarHBondContact O-OG1 3.37Å; L90-T92 VanDerWaalsContact C-N 3.32Å; L90-T92 PolarHBondContact O-N 3.18Å; T92-Q94 PolarHBondContact O-N 3.11Å |
| 93 | T | 41.5 | Very low | 58.2 | Low | 123 Ų | 123 | 126.1 Ų | 126.1 | 76% | 0.755 | 65% | 0.65 | S | S | * | * | trans | -86.7 | 65.4 | 165.4 | -32.7 | 0 | 0 | 0 | 0 | 109.5 | L90 N91 | L90-T93 PolarHBondContact O-OG1 3.42Å; L90-T93 VanDerWaalsContact O-OG1 3.06Å; N91-T93 PolarHBondContact O-N 3.06Å | ||
| 94 | Q | 35.3 | Very low | 56.9 | Low | 259 Ų | 259 | 128.1 Ų | 128.1 | 100% | 1.21 | 67% | 0.665 | S | S | * | * | trans | -143.3 | 0 | 164.3 | -77.4 | -164.4 | -43.2 | 0 | 0 | 110 | T92 | T92-Q94 PolarHBondContact O-N 3.11Š|
Retrieved 94 of 94 residues in 182.7 ms
(Link to these results)