| 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 | 39.5 | Very low | 49.5 | Very low | 233 Ų | 233 | 139.1 Ų | 139.1 | 100% | 1.148 | 79% | 0.789 | S | S | * | * | 0 | 98.6 | 0 | -53.8 | -161.7 | -157.2 | 0 | 0 | 106.9 | Q3 | M1-Q3 PolarHBondContact O-N 3.13Š| |||
| 2 | L | 47.6 | Very low | 49.9 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | trans | -81.4 | 116.7 | -173.2 | -69.7 | 167 | 0 | 0 | 0 | 108.7 | Q4 | L2-Q4 PolarHBondContact O-N 3.35Š| ||
| 3 | Q | 49.2 | Very low | 50.4 | Low | 172 Ų | 172 | 127.1 Ų | 127.1 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | trans | -63.3 | 116.2 | 178.9 | -73.6 | 156.5 | 65.2 | 0 | 0 | 109.1 | M1 V5 | M1-Q3 PolarHBondContact O-N 3.13Å; Q3-V5 HydrophobicContact CB-CG1 4.08Å; Q3-V5 PolarHBondContact O-N 2.56Å | ||
| 4 | Q | 55.6 | Low | 51 | Low | 198 Ų | 198 | 120.4 Ų | 120.4 | 93% | 0.925 | 70% | 0.7 | S | S | * | * | trans | -72.2 | 101.3 | 164.8 | -67 | -175.5 | 28 | 0 | 0 | 107.2 | L2 | L2-Q4 PolarHBondContact O-N 3.35Š| ||
| 5 | V | 51.6 | Low | 51.9 | Low | 126 Ų | 126 | 122.7 Ų | 122.7 | 76% | 0.764 | 70% | 0.702 | S | S | * | * | trans | -101.1 | 7.6 | 178.5 | -67.4 | 0 | 0 | 0 | 0 | 113.5 | Q3 | Q3-V5 HydrophobicContact CB-CG1 4.08Å; Q3-V5 PolarHBondContact O-N 2.56Å | ||
| 6 | N | 48.8 | Very low | 52.7 | Low | 132 Ų | 132 | 118.4 Ų | 118.4 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | trans | -111.8 | 100.4 | 179 | -147.7 | 63.6 | 0 | 0 | 0 | 110.5 | H8 | N6-H8 PolarHBondContact O-N 3.17Š| ||
| 7 | G | 48.2 | Very low | 53.4 | Low | 87 Ų | 87 | 118.5 Ų | 118.5 | 90% | 0.897 | 67% | 0.672 | S | S | * | * | trans | -69 | 63.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 8 | H | 48.7 | Very low | 54.3 | Low | 118 Ų | 118 | 117.3 Ų | 117.3 | 55% | 0.546 | 66% | 0.66 | S | S | . | * | trans | -89.9 | 103.6 | 167.8 | -137.3 | 122.5 | 0 | 0 | 0 | 107.6 | N6 P10 D13 | N6-H8 PolarHBondContact O-N 3.17Å; H8-P10 WeakPolarHBondContact O-CD 3.36Å; H8-D13 IonicContact CD2-OD2 3.79Å; H8-D13 IonicContact CE1-OD2 2.95Å; H8-D13 IonicContact NE2-OD2 2.92Å; H8-D13 PolarHBondContact NE2-OD2 3.15Å | ||
| 9 | N | 53.5 | Low | 55.2 | Low | 111 Ų | 111 | 119.9 Ų | 119.9 | 59% | 0.594 | 66% | 0.66 | S | S | * | * | trans | -80.3 | 106.8 | 165.6 | -173.3 | -41.8 | 0 | 0 | 0 | 107.1 | G11 S12 | N9-G11 PolarHBondContact O-N 3.42Å; N9-G11 VanDerWaalsContact O-N 3.09Å; N9-G11 PolarHBondContact OD1-N 3.09Å; N9-S12 PolarHBondContact O-N 2.73Å | ||
| 10 | P | 52.4 | Low | 56 | Low | 118 Ų | 118 | 115.8 Ų | 115.8 | 77% | 0.766 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -8 | -176.7 | 28.8 | -35 | 0 | 0 | 0 | 113.2 | H8 | H8-P10 WeakPolarHBondContact O-CD 3.36Š|
| 11 | G | 49.4 | Very low | 56.6 | Low | 60 Ų | 60 | 116.7 Ų | 116.7 | 62% | 0.619 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -21.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | N9 | N9-G11 PolarHBondContact O-N 3.42Å; N9-G11 VanDerWaalsContact O-N 3.09Å; N9-G11 PolarHBondContact OD1-N 3.09Å |
| 12 | S | 54.7 | Low | 58.2 | Low | 75 Ų | 75 | 110.5 Ų | 110.5 | 52% | 0.524 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.7 | -20.1 | -176 | -163.8 | 0 | 0 | 0 | 0 | 113.8 | N9 A16 | N9-S12 PolarHBondContact O-N 2.73Å; S12-A16 WeakPolarHBondContact O-CB 3.36Å; S12-A16 PolarHBondContact O-N 3.38Å |
| 13 | D | 56.5 | Low | 59.5 | Low | 47 Ų | 47 | 104.4 Ų | 104.4 | 25% | 0.251 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.9 | -40.6 | -175 | -138.8 | -83.3 | 0 | 0 | 0 | 111 | H8 Q15 A16 R17 M60 | H8-D13 IonicContact CD2-OD2 3.79Å; H8-D13 IonicContact CE1-OD2 2.95Å; H8-D13 IonicContact NE2-OD2 2.92Å; H8-D13 PolarHBondContact NE2-OD2 3.15Å; D13-Q15 PolarHBondContact O-N 3.01Å; D13-A16 PolarHBondContact O-N 3.04Å; D13-R17 WeakPolarHBondContact O-CB 3.41Å; D13-R17 VanDerWaalsContact O-CD 3.26Å; D13-R17 WeakPolarHBondContact O-CD 3.46Å; D13-R17 WeakPolarHBondContact O-CG 3.25Å; D13-R17 PolarHBondContact O-N 2.88Å; D13-M60 WeakPolarHBondContact OD1-CE 3.01Å |
| 14 | G | 58.8 | Low | 60.4 | Low | 33 Ų | 33 | 96.5 Ų | 96.5 | 34% | 0.34 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.8 | -48.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R17 E18 | G14-R17 WeakPolarHBondContact O-CB 3.37Å; G14-R17 PolarHBondContact O-N 3.44Å; G14-E18 WeakPolarHBondContact O-CG 3.42Å; G14-E18 PolarHBondContact O-N 3.21Å; G14-E18 VanDerWaalsContact O-N 3.12Å |
| 15 | Q | 64.3 | Low | 61.1 | Low | 156 Ų | 156 | 91.6 Ų | 91.6 | 73% | 0.729 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.3 | -36.3 | -178.5 | -156.3 | 177.5 | -72.3 | 0 | 0 | 112 | D13 R17 E18 Y19 | D13-Q15 PolarHBondContact O-N 3.01Å; Q15-R17 VanDerWaalsContact C-N 3.31Å; Q15-E18 PolarHBondContact O-N 3.22Å; Q15-Y19 WeakPolarHBondContact O-CB 2.82Å; Q15-Y19 PolarHBondContact O-N 3.33Å |
| 16 | A | 64.6 | Low | 62.2 | Low | 53 Ų | 53 | 93.2 Ų | 93.2 | 44% | 0.438 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -37.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S12 D13 L20 | S12-A16 WeakPolarHBondContact O-CB 3.36Å; S12-A16 PolarHBondContact O-N 3.38Å; D13-A16 PolarHBondContact O-N 3.04Å; A16-L20 WeakPolarHBondContact O-CB 3.14Å; A16-L20 PolarHBondContact O-N 3.17Å |
| 17 | R | 65.6 | Low | 63.3 | Low | 120 Ų | 120 | 91.4 Ų | 91.4 | 45% | 0.453 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 176.5 | -73.5 | 163.1 | 87.2 | -156.4 | 9.1 | 112.7 | D13 G14 Q15 R21 M60 | D13-R17 WeakPolarHBondContact O-CB 3.41Å; D13-R17 VanDerWaalsContact O-CD 3.26Å; D13-R17 WeakPolarHBondContact O-CD 3.46Å; D13-R17 WeakPolarHBondContact O-CG 3.25Å; D13-R17 PolarHBondContact O-N 2.88Å; G14-R17 WeakPolarHBondContact O-CB 3.37Å; G14-R17 PolarHBondContact O-N 3.44Å; Q15-R17 VanDerWaalsContact C-N 3.31Å; R17-R21 WeakPolarHBondContact O-CB 3.32Å; R17-R21 PolarHBondContact O-N 3.34Å; R17-M60 HydrophobicContact CG-CB 4.25Å; R17-M60 HydrophobicContact CG-CG 4.41Å; R17-M60 HydrophobicContact CG-SD 3.33Å; R17-M60 WeakPolarHBondContact CG-SD 3.4Å; R17-M60 PolarHBondContact NE-O 3.26Å; R17-M60 PolarHBondContact NH2-O 3.4Å |
| 18 | E | 68.6 | Low | 64.2 | Low | 97 Ų | 97 | 88.8 Ų | 88.8 | 45% | 0.453 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.5 | -47.3 | 177.5 | -60 | -161.8 | 100.8 | 0 | 0 | 110.7 | G14 Q15 L20 R21 E22 | G14-E18 WeakPolarHBondContact O-CG 3.42Å; G14-E18 PolarHBondContact O-N 3.21Å; G14-E18 VanDerWaalsContact O-N 3.12Å; Q15-E18 PolarHBondContact O-N 3.22Å; E18-L20 VanDerWaalsContact C-N 3.3Å; E18-L20 PolarHBondContact O-N 3.18Å; E18-R21 WeakPolarHBondContact O-CG 3.42Å; E18-R21 PolarHBondContact O-N 3.16Å; E18-R21 VanDerWaalsContact O-N 3.16Å; E18-R21 IonicContact OE1-CZ 3.54Å; E18-R21 IonicContact OE1-NH1 3.81Å; E18-R21 PolarHBondContact OE1-NH1 2.89Å; E18-R21 IonicContact OE1-NH2 3.63Å; E18-E22 VanDerWaalsContact O-CG 3.31Å; E18-E22 WeakPolarHBondContact O-CG 3.39Å; E18-E22 PolarHBondContact O-N 3.13Å |
| 19 | Y | 72.3 | Confident | 65.1 | Low | 168 Ų | 168 | 86 Ų | 86 | 66% | 0.659 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -58.2 | -43.4 | 175.7 | -169.2 | -88.9 | 0 | 0 | 0 | 112.2 | Q15 E22 D23 | Q15-Y19 WeakPolarHBondContact O-CB 2.82Å; Q15-Y19 PolarHBondContact O-N 3.33Å; Y19-E22 PolarHBondContact O-N 3.01Å; Y19-D23 VanDerWaalsContact O-CB 3.29Å; Y19-D23 WeakPolarHBondContact O-CB 3.5Å; Y19-D23 PolarHBondContact O-N 2.94Å |
| 20 | L | 71.3 | Confident | 65.4 | Low | 37 Ų | 37 | 82.8 Ų | 82.8 | 19% | 0.194 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -63.6 | -48.4 | 176.9 | -151 | 90.4 | 0 | 0 | 0 | 110.2 | A16 E18 E22 D23 L24 Q56 | A16-L20 WeakPolarHBondContact O-CB 3.14Å; A16-L20 PolarHBondContact O-N 3.17Å; E18-L20 VanDerWaalsContact C-N 3.3Å; E18-L20 PolarHBondContact O-N 3.18Å; L20-E22 PolarHBondContact O-N 3.22Å; L20-D23 PolarHBondContact O-N 2.95Å; L20-L24 HydrophobicContact CD2-CD1 3.82Å; L20-L24 HydrophobicContact CG-CD1 3.85Å; L20-L24 HydrophobicContact CG-CG 4.36Å; L20-L24 WeakPolarHBondContact O-CB 3.28Å; L20-L24 WeakPolarHBondContact O-CD1 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.22Å; L20-L24 PolarHBondContact O-N 3.43Å; L20-Q56 VanDerWaalsContact CD1-OE1 3.24Å; L20-Q56 HydrophobicContact CD2-CB 4.17Å; L20-Q56 HydrophobicContact CD2-CG 3.78Å |
| 21 | R | 68.6 | Low | 65.4 | Low | 135 Ų | 135 | 86 Ų | 86 | 51% | 0.509 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -57.8 | -38 | -179.9 | 100 | -168.5 | 175.1 | -141.7 | -11.7 | 111.7 | R17 E18 Q25 | R17-R21 WeakPolarHBondContact O-CB 3.32Å; R17-R21 PolarHBondContact O-N 3.34Å; E18-R21 WeakPolarHBondContact O-CG 3.42Å; E18-R21 PolarHBondContact O-N 3.16Å; E18-R21 VanDerWaalsContact O-N 3.16Å; E18-R21 IonicContact OE1-CZ 3.54Å; E18-R21 IonicContact OE1-NH1 3.81Å; E18-R21 PolarHBondContact OE1-NH1 2.89Å; E18-R21 IonicContact OE1-NH2 3.63Å; R21-Q25 VanDerWaalsContact O-CB 3.28Å; R21-Q25 WeakPolarHBondContact O-CB 3.15Å; R21-Q25 PolarHBondContact O-N 3.33Å |
| 22 | E | 72.9 | Confident | 65.8 | Low | 103 Ų | 103 | 84.7 Ų | 84.7 | 48% | 0.481 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -73 | -49.7 | -176.6 | -70.4 | 176.8 | 102.4 | 0 | 0 | 110.8 | E18 Y19 L20 L24 Q25 E26 | E18-E22 VanDerWaalsContact O-CG 3.31Å; E18-E22 WeakPolarHBondContact O-CG 3.39Å; E18-E22 PolarHBondContact O-N 3.13Å; Y19-E22 PolarHBondContact O-N 3.01Å; L20-E22 PolarHBondContact O-N 3.22Å; E22-L24 PolarHBondContact O-N 3.31Å; E22-Q25 PolarHBondContact O-N 3.4Å; E22-E26 PolarHBondContact O-N 3.49Å |
| 23 | D | 73.6 | Confident | 66.2 | Low | 47 Ų | 47 | 85 Ų | 85 | 25% | 0.251 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.9 | -34.2 | 174.8 | 175 | -90.7 | 0 | 0 | 0 | 111.9 | Y19 L20 F27 R53 | Y19-D23 VanDerWaalsContact O-CB 3.29Å; Y19-D23 WeakPolarHBondContact O-CB 3.5Å; Y19-D23 PolarHBondContact O-N 2.94Å; L20-D23 PolarHBondContact O-N 2.95Å; D23-F27 VanDerWaalsContact O-CB 3.26Å; D23-F27 WeakPolarHBondContact O-CB 3.17Å; D23-F27 PolarHBondContact O-N 3.5Å; D23-R53 IonicContact OD1-CZ 3.83Å; D23-R53 IonicContact OD1-NE 3.81Å; D23-R53 IonicContact OD1-NH1 2.85Å; D23-R53 PolarHBondContact OD1-NH1 3.3Å; D23-R53 IonicContact OD1-NH2 2.66Å; D23-R53 PolarHBondContact OD1-NH2 2.97Å; D23-R53 IonicContact OD2-NH2 2.63Å |
| 24 | L | 69.3 | Low | 66.5 | Low | 6 Ų | 6 | 83.1 Ų | 83.1 | 3% | 0.031 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -74.7 | -40.6 | 175.9 | -67.8 | 177.2 | 0 | 0 | 0 | 113.8 | L20 E22 E26 F27 L28 L34 R53 A57 | L20-L24 HydrophobicContact CD2-CD1 3.82Å; L20-L24 HydrophobicContact CG-CD1 3.85Å; L20-L24 HydrophobicContact CG-CG 4.36Å; L20-L24 WeakPolarHBondContact O-CB 3.28Å; L20-L24 WeakPolarHBondContact O-CD1 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.22Å; L20-L24 PolarHBondContact O-N 3.43Å; E22-L24 PolarHBondContact O-N 3.31Å; L24-E26 VanDerWaalsContact C-N 3.26Å; L24-E26 PolarHBondContact O-N 2.93Å; L24-F27 PolarHBondContact O-N 3.28Å; L24-L28 WeakPolarHBondContact O-CB 3.4Å; L24-L28 WeakPolarHBondContact O-CD1 3.39Å; L24-L28 PolarHBondContact O-N 3.35Å; L24-L34 HydrophobicContact CB-CD1 3.44Å; L24-L34 VanDerWaalsContact CB-CD1 3.44Å; L24-L34 HydrophobicContact CB-CG 4.42Å; L24-L34 HydrophobicContact CD1-CD1 3.24Å; L24-L34 HydrophobicContact CD2-CD1 3.62Å; L24-L34 HydrophobicContact CG-CD1 3.53Å; L24-R53 HydrophobicContact CD1-CB 4.45Å; L24-R53 HydrophobicContact CD2-CB 3.31Å; L24-R53 HydrophobicContact CD2-CG 3.41Å; L24-R53 VanDerWaalsContact CD2-CG 3.41Å; L24-R53 HydrophobicContact CG-CB 4.48Å; L24-A57 HydrophobicContact CD1-CB 4.19Å |
| 25 | Q | 70.3 | Confident | 66.5 | Low | 94 Ų | 94 | 86.9 Ų | 86.9 | 44% | 0.439 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.7 | -38 | 174.6 | -169.8 | 168.2 | 75.2 | 0 | 0 | 110.1 | R21 E22 G29 G30 | R21-Q25 VanDerWaalsContact O-CB 3.28Å; R21-Q25 WeakPolarHBondContact O-CB 3.15Å; R21-Q25 PolarHBondContact O-N 3.33Å; E22-Q25 PolarHBondContact O-N 3.4Å; Q25-G29 PolarHBondContact O-N 3.01Å; Q25-G30 WeakPolarHBondContact O-CA 3.46Å; Q25-G30 PolarHBondContact O-N 3.01Å |
| 26 | E | 74.8 | Confident | 66.3 | Low | 161 Ų | 161 | 86.7 Ų | 86.7 | 75% | 0.752 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -65 | -48.1 | 172.1 | -172.2 | 175.5 | 99.2 | 0 | 0 | 111.9 | E22 L24 L28 G29 | E22-E26 PolarHBondContact O-N 3.49Å; L24-E26 VanDerWaalsContact C-N 3.26Å; L24-E26 PolarHBondContact O-N 2.93Å; E26-L28 VanDerWaalsContact C-N 3.29Å; E26-L28 PolarHBondContact O-N 2.96Å; E26-G29 PolarHBondContact O-N 3.37Å; E26-G29 VanDerWaalsContact O-N 3.16Å |
| 27 | F | 70.8 | Confident | 66.4 | Low | 93 Ų | 93 | 84.8 Ų | 84.8 | 41% | 0.408 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62 | -34.4 | -178.6 | -174.2 | -96.4 | 0 | 0 | 0 | 113.4 | D23 L24 T50 | D23-F27 VanDerWaalsContact O-CB 3.26Å; D23-F27 WeakPolarHBondContact O-CB 3.17Å; D23-F27 PolarHBondContact O-N 3.5Å; L24-F27 PolarHBondContact O-N 3.28Å; F27-T50 HydrophobicContact CD1-CG2 4.21Å; F27-T50 HydrophobicContact CE1-CG2 3.73Å; F27-T50 WeakPolarHBondContact CE1-OG1 3.01Å |
| 28 | L | 67.5 | Low | 66.3 | Low | 32 Ų | 32 | 82.7 Ų | 82.7 | 17% | 0.168 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 11.8 | -179.3 | -66.7 | 156 | 0 | 0 | 0 | 113.3 | L24 E26 G30 V32 L34 V43 T50 | L24-L28 WeakPolarHBondContact O-CB 3.4Å; L24-L28 WeakPolarHBondContact O-CD1 3.39Å; L24-L28 PolarHBondContact O-N 3.35Å; E26-L28 VanDerWaalsContact C-N 3.29Å; E26-L28 PolarHBondContact O-N 2.96Å; L28-G30 VanDerWaalsContact C-N 3.3Å; L28-G30 PolarHBondContact O-N 2.93Å; L28-V32 HydrophobicContact CB-CB 4.06Å; L28-V32 HydrophobicContact CD1-CB 4.21Å; L28-V32 HydrophobicContact CD1-CG1 3.84Å; L28-L34 HydrophobicContact CD1-CD1 3.56Å; L28-L34 HydrophobicContact CD1-CD2 3.19Å; L28-L34 HydrophobicContact CD1-CG 3.25Å; L28-V43 HydrophobicContact CD2-CB 4.12Å; L28-V43 HydrophobicContact CD2-CG1 3.93Å; L28-T50 HydrophobicContact CD2-CG2 3.8Å |
| 29 | G | 67.1 | Low | 66.5 | Low | 59 Ų | 59 | 81.9 Ų | 81.9 | 61% | 0.608 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 29.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | Q25 E26 E31 | Q25-G29 PolarHBondContact O-N 3.01Å; E26-G29 PolarHBondContact O-N 3.37Å; E26-G29 VanDerWaalsContact O-N 3.16Å; G29-E31 PolarHBondContact O-N 3.27Å; G29-E31 VanDerWaalsContact O-N 3.09Å |
| 30 | G | 60.2 | Low | 66.6 | Low | 45 Ų | 45 | 75.8 Ų | 75.8 | 46% | 0.464 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79 | -16.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q25 L28 | Q25-G30 WeakPolarHBondContact O-CA 3.46Å; Q25-G30 PolarHBondContact O-N 3.01Å; L28-G30 VanDerWaalsContact C-N 3.3Å; L28-G30 PolarHBondContact O-N 2.93Å |
| 31 | E | 53 | Low | 66.5 | Low | 184 Ų | 184 | 79.3 Ų | 79.3 | 86% | 0.86 | 41% | 0.406 | S | S | * | . | trans | -83.4 | -13.8 | -171.7 | -82 | -175.9 | 64.1 | 0 | 0 | 114.4 | G29 | G29-E31 PolarHBondContact O-N 3.27Å; G29-E31 VanDerWaalsContact O-N 3.09Å | ||
| 32 | V | 57.7 | Low | 66.5 | Low | 33 Ų | 33 | 81.8 Ų | 81.8 | 20% | 0.2 | 42% | 0.416 | C | S | . | . | trans | -122.6 | 109.9 | -169 | 163.2 | 0 | 0 | 0 | 0 | 112.8 | L28 L34 L37 | L28-V32 HydrophobicContact CB-CB 4.06Å; L28-V32 HydrophobicContact CD1-CB 4.21Å; L28-V32 HydrophobicContact CD1-CG1 3.84Å; V32-L34 HydrophobicContact CG1-CD2 3.87Å; V32-L34 HydrophobicContact CG1-CG 4.27Å; V32-L34 PolarHBondContact O-N 3.48Å; V32-L37 HydrophobicContact CB-CD1 4.26Å; V32-L37 HydrophobicContact CG1-CD1 3.19Å; V32-L37 HydrophobicContact CG1-CD2 3.91Å; V32-L37 HydrophobicContact CG1-CG 4.12Å; V32-L37 HydrophobicContact CG2-CD1 4.18Å | ||
| 33 | L | 62.6 | Low | 66.2 | Low | 81 Ų | 81 | 77 Ų | 77 | 42% | 0.424 | 39% | 0.393 | S | S | . | . | trans | -73.2 | 100.4 | 160.7 | -82.7 | 145.3 | 0 | 0 | 0 | 108.6 | Y35 K36 L37 | L33-Y35 VanDerWaalsContact C-N 3.28Å; L33-Y35 HydrophobicContact CB-CD1 4.4Å; L33-Y35 HydrophobicContact CB-CE1 4.02Å; L33-Y35 HydrophobicContact CD2-CD1 3.98Å; L33-Y35 HydrophobicContact CD2-CE1 3.1Å; L33-Y35 WeakPolarHBondContact CD2-OH 3.31Å; L33-Y35 HydrophobicContact CG-CE1 4.1Å; L33-Y35 PolarHBondContact O-N 3.42Å; L33-K36 HydrophobicContact CB-CB 4.32Å; L33-K36 WeakPolarHBondContact O-CA 3.32Å; L33-K36 VanDerWaalsContact O-CB 3.25Å; L33-K36 WeakPolarHBondContact O-CB 3.47Å; L33-K36 PolarHBondContact O-N 2.92Å; L33-L37 PolarHBondContact O-N 3.03Å | ||
| 34 | L | 63.1 | Low | 65.7 | Low | 9 Ų | 9 | 82 Ų | 82 | 5% | 0.047 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -57.8 | -32.6 | -174.5 | -82.3 | -178.6 | 0 | 0 | 0 | 115.8 | L24 L28 V32 K36 L37 V43 C54 A57 | L24-L34 HydrophobicContact CB-CD1 3.44Å; L24-L34 VanDerWaalsContact CB-CD1 3.44Å; L24-L34 HydrophobicContact CB-CG 4.42Å; L24-L34 HydrophobicContact CD1-CD1 3.24Å; L24-L34 HydrophobicContact CD2-CD1 3.62Å; L24-L34 HydrophobicContact CG-CD1 3.53Å; L28-L34 HydrophobicContact CD1-CD1 3.56Å; L28-L34 HydrophobicContact CD1-CD2 3.19Å; L28-L34 HydrophobicContact CD1-CG 3.25Å; V32-L34 HydrophobicContact CG1-CD2 3.87Å; V32-L34 HydrophobicContact CG1-CG 4.27Å; V32-L34 PolarHBondContact O-N 3.48Å; L34-K36 PolarHBondContact O-N 3.37Å; L34-L37 PolarHBondContact O-N 3.19Å; L34-V43 HydrophobicContact CD2-CG1 4.33Å; L34-C54 HydrophobicContact CD2-CB 4.14Å; L34-C54 WeakPolarHBondContact CD2-SG 3.33Å; L34-A57 HydrophobicContact CB-CB 3.95Å |
| 35 | Y | 58.1 | Low | 65.6 | Low | 112 Ų | 112 | 85.7 Ų | 85.7 | 44% | 0.439 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -65.4 | -19.5 | 174.9 | 67.3 | -105.8 | 0 | 0 | 0 | 112.6 | L33 | L33-Y35 VanDerWaalsContact C-N 3.28Å; L33-Y35 HydrophobicContact CB-CD1 4.4Å; L33-Y35 HydrophobicContact CB-CE1 4.02Å; L33-Y35 HydrophobicContact CD2-CD1 3.98Å; L33-Y35 HydrophobicContact CD2-CE1 3.1Å; L33-Y35 WeakPolarHBondContact CD2-OH 3.31Å; L33-Y35 HydrophobicContact CG-CE1 4.1Å; L33-Y35 PolarHBondContact O-N 3.42Å |
| 36 | K | 61.1 | Low | 66.1 | Low | 152 Ų | 152 | 85.2 Ų | 85.2 | 66% | 0.661 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -90 | -12.1 | 174.2 | -105.3 | 173.3 | 177.1 | -174.3 | 0 | 112.6 | L33 L34 D38 | L33-K36 HydrophobicContact CB-CB 4.32Å; L33-K36 WeakPolarHBondContact O-CA 3.32Å; L33-K36 VanDerWaalsContact O-CB 3.25Å; L33-K36 WeakPolarHBondContact O-CB 3.47Å; L33-K36 PolarHBondContact O-N 2.92Å; L34-K36 PolarHBondContact O-N 3.37Å; K36-D38 PolarHBondContact O-N 3.35Å |
| 37 | L | 66.3 | Low | 66.3 | Low | 13 Ų | 13 | 80 Ų | 80 | 7% | 0.068 | 43% | 0.427 | C | S | . | . | trans | -81.2 | 84.1 | 167.7 | -91.9 | 71.8 | 0 | 0 | 0 | 108.8 | V32 L33 L34 R42 V43 | V32-L37 HydrophobicContact CB-CD1 4.26Å; V32-L37 HydrophobicContact CG1-CD1 3.19Å; V32-L37 HydrophobicContact CG1-CD2 3.91Å; V32-L37 HydrophobicContact CG1-CG 4.12Å; V32-L37 HydrophobicContact CG2-CD1 4.18Å; L33-L37 PolarHBondContact O-N 3.03Å; L34-L37 PolarHBondContact O-N 3.19Å; L37-R42 HydrophobicContact CD2-CB 3.9Å; L37-R42 HydrophobicContact CG-CB 4.31Å; L37-V43 HydrophobicContact CD2-CB 4.4Å; L37-V43 HydrophobicContact CD2-CG1 3.21Å | ||
| 38 | D | 64.1 | Low | 66.7 | Low | 76 Ų | 76 | 81.8 Ų | 81.8 | 41% | 0.406 | 44% | 0.44 | S | S | . | . | trans | -63.2 | -38.4 | 158.9 | -172 | -127.4 | 0 | 0 | 0 | 110.7 | K36 L40 R58 Y65 | K36-D38 PolarHBondContact O-N 3.35Å; D38-L40 PolarHBondContact O-N 3.38Å; D38-R58 PolarHBondContact O-NH1 3.12Å; D38-R58 IonicContact OD2-NH1 3.17Å; D38-R58 PolarHBondContact OD2-NH1 2.84Å; D38-R58 VanDerWaalsContact OD2-NH1 3.17Å; D38-Y65 HydrophobicContact CB-CE2 4.3Å; D38-Y65 WeakPolarHBondContact OD2-CD2 3.37Å; D38-Y65 WeakPolarHBondContact OD2-CE2 3.18Å | ||
| 39 | D | 71.6 | Confident | 67.2 | Low | 79 Ų | 79 | 86 Ų | 86 | 42% | 0.422 | 46% | 0.459 | S | S | . | . | trans | -94.2 | 97.5 | -178.7 | -155.9 | -61 | 0 | 0 | 0 | 111.4 | T41 R42 | D39-T41 PolarHBondContact O-N 3.27Å; D39-T41 VanDerWaalsContact O-N 3.15Å; D39-T41 WeakPolarHBondContact OD1-CB 3.47Å; D39-T41 PolarHBondContact OD1-N 2.9Å; D39-T41 PolarHBondContact OD1-OG1 3.17Å; D39-R42 HydrophobicContact CB-CG 4Å; D39-R42 WeakPolarHBondContact O-CB 3.41Å; D39-R42 PolarHBondContact O-N 3.27Å; D39-R42 VanDerWaalsContact O-N 3.13Å | ||
| 40 | L | 74 | Confident | 67.7 | Low | 40 Ų | 40 | 83.2 Ų | 83.2 | 21% | 0.209 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -62.1 | -16.2 | 179.7 | -65.5 | 175.9 | 0 | 0 | 0 | 113.4 | D38 R42 V43 V51 C54 L55 | D38-L40 PolarHBondContact O-N 3.38Å; L40-R42 PolarHBondContact O-N 3.38Å; L40-V43 WeakPolarHBondContact O-CG2 3.29Å; L40-V51 HydrophobicContact CD1-CG1 4.01Å; L40-C54 HydrophobicContact CD2-CB 3.1Å; L40-L55 HydrophobicContact CD1-CG 4.43Å |
| 41 | T | 69.7 | Low | 68.6 | Low | 111 Ų | 111 | 82.7 Ų | 82.7 | 68% | 0.681 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -75.9 | -10.5 | 178 | 76.3 | 0 | 0 | 0 | 0 | 112.5 | D39 | D39-T41 PolarHBondContact O-N 3.27Å; D39-T41 VanDerWaalsContact O-N 3.15Å; D39-T41 WeakPolarHBondContact OD1-CB 3.47Å; D39-T41 PolarHBondContact OD1-N 2.9Å; D39-T41 PolarHBondContact OD1-OG1 3.17Å |
| 42 | R | 67.9 | Low | 70 | Confident | 187 Ų | 187 | 78.8 Ų | 78.8 | 71% | 0.706 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -82.4 | -10.3 | 178.6 | -61.1 | -172.5 | 66.9 | -179.1 | -0.3 | 113.9 | L37 D39 L40 | L37-R42 HydrophobicContact CD2-CB 3.9Å; L37-R42 HydrophobicContact CG-CB 4.31Å; D39-R42 HydrophobicContact CB-CG 4Å; D39-R42 WeakPolarHBondContact O-CB 3.41Å; D39-R42 PolarHBondContact O-N 3.27Å; D39-R42 VanDerWaalsContact O-N 3.13Å; L40-R42 PolarHBondContact O-N 3.38Å |
| 43 | V | 67 | Low | 70.8 | Confident | 2 Ų | 2 | 79.8 Ų | 79.8 | 1% | 0.012 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -81.3 | 132.6 | 167.8 | -54.6 | 0 | 0 | 0 | 0 | 109.1 | L28 L34 L37 L40 V46 T50 | L28-V43 HydrophobicContact CD2-CB 4.12Å; L28-V43 HydrophobicContact CD2-CG1 3.93Å; L34-V43 HydrophobicContact CD2-CG1 4.33Å; L37-V43 HydrophobicContact CD2-CB 4.4Å; L37-V43 HydrophobicContact CD2-CG1 3.21Å; L40-V43 WeakPolarHBondContact O-CG2 3.29Å; V43-V46 HydrophobicContact CG2-CG2 4.16Å; V43-V46 WeakPolarHBondContact O-CG2 2.96Å; V43-V46 PolarHBondContact O-N 3.13Å; V43-T50 HydrophobicContact CB-CG2 3.62Å; V43-T50 HydrophobicContact CG1-CG2 3.86Å; V43-T50 HydrophobicContact CG2-CG2 3.5Å |
| 44 | N | 63.8 | Low | 71.4 | Confident | 153 Ų | 153 | 76 Ų | 76 | 82% | 0.818 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -131.7 | 122.3 | 176.6 | 179.7 | 56.9 | 0 | 0 | 0 | 109.8 | ||
| 45 | P | 68 | Low | 72.2 | Confident | 83 Ų | 83 | 79.3 Ų | 79.3 | 54% | 0.539 | 40% | 0.4 | S | S | . | . | S | Bend | cis | -71.7 | 145.3 | -1.2 | 29 | -34.3 | 0 | 0 | 0 | 113.3 | T47 T50 | P45-T47 HydrophobicContact CB-CG2 3.96Å; P45-T47 HydrophobicContact CG-CG2 3.94Å; P45-T47 PolarHBondContact O-N 3.39Å; P45-T47 VanDerWaalsContact O-N 3.13Å; P45-T50 PolarHBondContact O-OG1 2.95Å |
| 46 | V | 78.9 | Confident | 73.2 | Confident | 85 Ų | 85 | 78.6 Ų | 78.6 | 52% | 0.515 | 40% | 0.401 | S | S | . | . | trans | -74.7 | 100.4 | 166.8 | -176.5 | 0 | 0 | 0 | 0 | 107.7 | V43 V51 | V43-V46 HydrophobicContact CG2-CG2 4.16Å; V43-V46 WeakPolarHBondContact O-CG2 2.96Å; V43-V46 PolarHBondContact O-N 3.13Å; V46-V51 HydrophobicContact CG1-CG2 3.91Å | ||
| 47 | T | 79.3 | Confident | 73.8 | Confident | 51 Ų | 51 | 72.2 Ų | 72.2 | 31% | 0.313 | 38% | 0.376 | S | S | . | . | trans | -117.6 | 162.7 | 173.1 | 75.3 | 0 | 0 | 0 | 0 | 110.1 | P45 E49 T50 V51 | P45-T47 HydrophobicContact CB-CG2 3.96Å; P45-T47 HydrophobicContact CG-CG2 3.94Å; P45-T47 PolarHBondContact O-N 3.39Å; P45-T47 VanDerWaalsContact O-N 3.13Å; T47-E49 PolarHBondContact O-N 3.09Å; T47-T50 PolarHBondContact O-N 3.11Å; T47-T50 PolarHBondContact OG1-N 2.92Å; T47-T50 PolarHBondContact OG1-OG1 2.63Å; T47-V51 WeakPolarHBondContact O-CG2 3.33Å; T47-V51 PolarHBondContact O-N 2.91Å | ||
| 48 | L | 79.6 | Confident | 74.3 | Confident | 131 Ų | 131 | 73 Ų | 73 | 69% | 0.686 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -54.2 | -42.9 | 176.6 | 176.6 | 63.4 | 0 | 0 | 0 | 111.7 | V51 L52 | L48-V51 PolarHBondContact O-N 2.97Å; L48-L52 HydrophobicContact CD1-CD1 4.04Å; L48-L52 HydrophobicContact CD1-CG 4.08Å; L48-L52 HydrophobicContact CG-CD1 3.97Å; L48-L52 HydrophobicContact CG-CG 4.41Å; L48-L52 WeakPolarHBondContact O-CB 3.29Å; L48-L52 WeakPolarHBondContact O-CG 3.41Å; L48-L52 PolarHBondContact O-N 3.41Å |
| 49 | E | 79 | Confident | 75 | Confident | 119 Ų | 119 | 77 Ų | 77 | 56% | 0.556 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.8 | -48.3 | 179.5 | -66.9 | -174.5 | 88.5 | 0 | 0 | 111.1 | T47 V51 L52 R53 | T47-E49 PolarHBondContact O-N 3.09Å; E49-V51 VanDerWaalsContact C-N 3.3Å; E49-V51 PolarHBondContact O-N 3.05Å; E49-L52 PolarHBondContact O-N 2.9Å; E49-R53 WeakPolarHBondContact O-CB 3.19Å; E49-R53 WeakPolarHBondContact O-CD 3.42Å; E49-R53 WeakPolarHBondContact O-CG 3.4Å; E49-R53 PolarHBondContact O-N 3.29Å |
| 50 | T | 76.1 | Confident | 75 | Confident | 2 Ų | 2 | 75.5 Ų | 75.5 | 1% | 0.012 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 178.6 | -28.5 | 0 | 0 | 0 | 0 | 111.4 | F27 L28 V43 P45 T47 R53 C54 | F27-T50 HydrophobicContact CD1-CG2 4.21Å; F27-T50 HydrophobicContact CE1-CG2 3.73Å; F27-T50 WeakPolarHBondContact CE1-OG1 3.01Å; L28-T50 HydrophobicContact CD2-CG2 3.8Å; V43-T50 HydrophobicContact CB-CG2 3.62Å; V43-T50 HydrophobicContact CG1-CG2 3.86Å; V43-T50 HydrophobicContact CG2-CG2 3.5Å; P45-T50 PolarHBondContact O-OG1 2.95Å; T47-T50 PolarHBondContact O-N 3.11Å; T47-T50 PolarHBondContact OG1-N 2.92Å; T47-T50 PolarHBondContact OG1-OG1 2.63Å; T50-R53 PolarHBondContact O-N 3.41Å; T50-C54 PolarHBondContact O-N 3.4Å; T50-C54 PolarHBondContact O-SG 2.86Å |
| 51 | V | 79.1 | Confident | 74.9 | Confident | 34 Ų | 34 | 75.7 Ų | 75.7 | 21% | 0.206 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66 | -48.5 | -179.9 | 168.1 | 0 | 0 | 0 | 0 | 112.1 | L40 V46 T47 L48 E49 R53 C54 L55 | L40-V51 HydrophobicContact CD1-CG1 4.01Å; V46-V51 HydrophobicContact CG1-CG2 3.91Å; T47-V51 WeakPolarHBondContact O-CG2 3.33Å; T47-V51 PolarHBondContact O-N 2.91Å; L48-V51 PolarHBondContact O-N 2.97Å; E49-V51 VanDerWaalsContact C-N 3.3Å; E49-V51 PolarHBondContact O-N 3.05Å; V51-R53 VanDerWaalsContact C-N 3.26Å; V51-R53 PolarHBondContact O-N 2.86Å; V51-C54 PolarHBondContact O-N 3.24Å; V51-L55 HydrophobicContact CG1-CD1 3.82Å; V51-L55 WeakPolarHBondContact O-CG 3.38Å; V51-L55 PolarHBondContact O-N 3.03Å |
| 52 | L | 82.5 | Confident | 74.9 | Confident | 101 Ų | 101 | 76.4 Ų | 76.4 | 53% | 0.529 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.4 | -43.4 | 178 | -77.8 | 173.8 | 0 | 0 | 0 | 111.1 | L48 E49 L55 Q56 | L48-L52 HydrophobicContact CD1-CD1 4.04Å; L48-L52 HydrophobicContact CD1-CG 4.08Å; L48-L52 HydrophobicContact CG-CD1 3.97Å; L48-L52 HydrophobicContact CG-CG 4.41Å; L48-L52 WeakPolarHBondContact O-CB 3.29Å; L48-L52 WeakPolarHBondContact O-CG 3.41Å; L48-L52 PolarHBondContact O-N 3.41Å; E49-L52 PolarHBondContact O-N 2.9Å; L52-L55 PolarHBondContact O-N 3.37Å; L52-Q56 WeakPolarHBondContact O-CB 3.26Å; L52-Q56 PolarHBondContact O-N 2.66Å |
| 53 | R | 74.6 | Confident | 74.7 | Confident | 55 Ų | 55 | 69.6 Ų | 69.6 | 21% | 0.208 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 177.3 | -82.1 | 173.7 | 171.6 | -142.1 | 7.1 | 113 | D23 L24 E49 T50 V51 Q56 A57 | D23-R53 IonicContact OD1-CZ 3.83Å; D23-R53 IonicContact OD1-NE 3.81Å; D23-R53 IonicContact OD1-NH1 2.85Å; D23-R53 PolarHBondContact OD1-NH1 3.3Å; D23-R53 IonicContact OD1-NH2 2.66Å; D23-R53 PolarHBondContact OD1-NH2 2.97Å; D23-R53 IonicContact OD2-NH2 2.63Å; L24-R53 HydrophobicContact CD1-CB 4.45Å; L24-R53 HydrophobicContact CD2-CB 3.31Å; L24-R53 HydrophobicContact CD2-CG 3.41Å; L24-R53 VanDerWaalsContact CD2-CG 3.41Å; L24-R53 HydrophobicContact CG-CB 4.48Å; E49-R53 WeakPolarHBondContact O-CB 3.19Å; E49-R53 WeakPolarHBondContact O-CD 3.42Å; E49-R53 WeakPolarHBondContact O-CG 3.4Å; E49-R53 PolarHBondContact O-N 3.29Å; T50-R53 PolarHBondContact O-N 3.41Å; V51-R53 VanDerWaalsContact C-N 3.26Å; V51-R53 PolarHBondContact O-N 2.86Å; R53-Q56 PolarHBondContact O-N 3.03Å; R53-A57 WeakPolarHBondContact O-CB 3.34Å; R53-A57 PolarHBondContact O-N 3.31Å |
| 54 | C | 76.8 | Confident | 74.6 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60 | -45.3 | 173.6 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | L34 L40 T50 V51 A57 R58 | L34-C54 HydrophobicContact CD2-CB 4.14Å; L34-C54 WeakPolarHBondContact CD2-SG 3.33Å; L40-C54 HydrophobicContact CD2-CB 3.1Å; T50-C54 PolarHBondContact O-N 3.4Å; T50-C54 PolarHBondContact O-SG 2.86Å; V51-C54 PolarHBondContact O-N 3.24Å; C54-A57 PolarHBondContact O-N 2.96Å; C54-R58 PolarHBondContact O-N 3.41Å |
| 55 | L | 79.7 | Confident | 74.7 | Confident | 80 Ų | 80 | 78.5 Ų | 78.5 | 42% | 0.419 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 179.4 | -76.5 | 164.5 | 0 | 0 | 0 | 111.2 | L40 V51 L52 R58 Y59 | L40-L55 HydrophobicContact CD1-CG 4.43Å; V51-L55 HydrophobicContact CG1-CD1 3.82Å; V51-L55 WeakPolarHBondContact O-CG 3.38Å; V51-L55 PolarHBondContact O-N 3.03Å; L52-L55 PolarHBondContact O-N 3.37Å; L55-R58 PolarHBondContact O-N 3.16Å; L55-Y59 WeakPolarHBondContact O-CB 3.21Å; L55-Y59 PolarHBondContact O-N 3.43Å |
| 56 | Q | 77.6 | Confident | 75.1 | Confident | 97 Ų | 97 | 78.3 Ų | 78.3 | 45% | 0.453 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 176.5 | -168.8 | 165.5 | 64.5 | 0 | 0 | 110.9 | L20 L52 R53 R58 Y59 M60 | L20-Q56 VanDerWaalsContact CD1-OE1 3.24Å; L20-Q56 HydrophobicContact CD2-CB 4.17Å; L20-Q56 HydrophobicContact CD2-CG 3.78Å; L52-Q56 WeakPolarHBondContact O-CB 3.26Å; L52-Q56 PolarHBondContact O-N 2.66Å; R53-Q56 PolarHBondContact O-N 3.03Å; Q56-R58 VanDerWaalsContact C-N 3.33Å; Q56-R58 PolarHBondContact O-N 3.47Å; Q56-Y59 PolarHBondContact O-N 2.87Å; Q56-M60 HydrophobicContact CG-CG 4.37Å; Q56-M60 WeakPolarHBondContact O-CB 3.43Å; Q56-M60 WeakPolarHBondContact O-CG 3.02Å; Q56-M60 PolarHBondContact O-N 2.85Å |
| 57 | A | 75.3 | Confident | 74.9 | Confident | 17 Ų | 17 | 77.9 Ų | 77.9 | 14% | 0.14 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.4 | -40.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L24 L34 R53 C54 A61 | L24-A57 HydrophobicContact CD1-CB 4.19Å; L34-A57 HydrophobicContact CB-CB 3.95Å; R53-A57 WeakPolarHBondContact O-CB 3.34Å; R53-A57 PolarHBondContact O-N 3.31Å; C54-A57 PolarHBondContact O-N 2.96Å; A57-A61 WeakPolarHBondContact O-CB 3.22Å; A57-A61 PolarHBondContact O-N 3.18Å; A57-A61 VanDerWaalsContact O-N 3.11Å |
| 58 | R | 76.4 | Confident | 74.6 | Confident | 31 Ų | 31 | 79.4 Ų | 79.4 | 12% | 0.117 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.5 | -42.6 | 175.8 | -74 | -167.6 | -69.6 | -176.9 | -6.8 | 112.7 | D38 C54 L55 Q56 M60 A61 D62 T63 | D38-R58 PolarHBondContact O-NH1 3.12Å; D38-R58 IonicContact OD2-NH1 3.17Å; D38-R58 PolarHBondContact OD2-NH1 2.84Å; D38-R58 VanDerWaalsContact OD2-NH1 3.17Å; C54-R58 PolarHBondContact O-N 3.41Å; L55-R58 PolarHBondContact O-N 3.16Å; Q56-R58 VanDerWaalsContact C-N 3.33Å; Q56-R58 PolarHBondContact O-N 3.47Å; R58-M60 VanDerWaalsContact C-N 3.29Å; R58-M60 PolarHBondContact O-N 3.46Å; R58-A61 PolarHBondContact O-N 2.85Å; R58-A61 VanDerWaalsContact O-N 3.09Å; R58-D62 PolarHBondContact O-N 3.09Å; R58-T63 PolarHBondContact O-N 3.17Å |
| 59 | Y | 77.6 | Confident | 74.3 | Confident | 160 Ų | 160 | 76.4 Ų | 76.4 | 63% | 0.627 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60.1 | -41.4 | 175.4 | -168.3 | -93.5 | 0 | 0 | 0 | 111.4 | L55 Q56 A61 D62 F64 | L55-Y59 WeakPolarHBondContact O-CB 3.21Å; L55-Y59 PolarHBondContact O-N 3.43Å; Q56-Y59 PolarHBondContact O-N 2.87Å; Y59-A61 VanDerWaalsContact C-N 3.25Å; Y59-A61 PolarHBondContact O-N 3.39Å; Y59-D62 PolarHBondContact O-N 2.82Å; Y59-F64 AromaticContact CD2-CE1 3.53Å; Y59-F64 HydrophobicContact CD2-CE1 3.53Å; Y59-F64 HydrophobicContact CD2-CZ 4.03Å; Y59-F64 AromaticContact CE2-CE1 3.62Å; Y59-F64 HydrophobicContact CE2-CE1 3.62Å; Y59-F64 HydrophobicContact CE2-CZ 4.01Å; Y59-F64 HydrophobicContact CG-CE1 4.43Å |
| 60 | M | 72.3 | Confident | 74 | Confident | 47 Ų | 47 | 73.8 Ų | 73.8 | 23% | 0.232 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -15 | 177.4 | -60.9 | -118.1 | 120.8 | 0 | 0 | 113.7 | D13 R17 Q56 R58 | D13-M60 WeakPolarHBondContact OD1-CE 3.01Å; R17-M60 HydrophobicContact CG-CB 4.25Å; R17-M60 HydrophobicContact CG-CG 4.41Å; R17-M60 HydrophobicContact CG-SD 3.33Å; R17-M60 WeakPolarHBondContact CG-SD 3.4Å; R17-M60 PolarHBondContact NE-O 3.26Å; R17-M60 PolarHBondContact NH2-O 3.4Å; Q56-M60 HydrophobicContact CG-CG 4.37Å; Q56-M60 WeakPolarHBondContact O-CB 3.43Å; Q56-M60 WeakPolarHBondContact O-CG 3.02Å; Q56-M60 PolarHBondContact O-N 2.85Å; R58-M60 VanDerWaalsContact C-N 3.29Å; R58-M60 PolarHBondContact O-N 3.46Å |
| 61 | A | 70.9 | Confident | 73.9 | Confident | 43 Ų | 43 | 78.5 Ų | 78.5 | 36% | 0.355 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 5.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A57 R58 Y59 T63 | A57-A61 WeakPolarHBondContact O-CB 3.22Å; A57-A61 PolarHBondContact O-N 3.18Å; A57-A61 VanDerWaalsContact O-N 3.11Å; R58-A61 PolarHBondContact O-N 2.85Å; R58-A61 VanDerWaalsContact O-N 3.09Å; Y59-A61 VanDerWaalsContact C-N 3.25Å; Y59-A61 PolarHBondContact O-N 3.39Å; A61-T63 PolarHBondContact O-N 2.98Å; A61-T63 VanDerWaalsContact O-N 3.13Å; A61-T63 PolarHBondContact O-OG1 3.26Å |
| 62 | D | 71.1 | Confident | 73.5 | Confident | 126 Ų | 126 | 81.7 Ų | 81.7 | 67% | 0.674 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 25.6 | -171.2 | -86.2 | -94.3 | 0 | 0 | 0 | 112.8 | R58 Y59 F64 | R58-D62 PolarHBondContact O-N 3.09Å; Y59-D62 PolarHBondContact O-N 2.82Å; D62-F64 HydrophobicContact CB-CE2 4.12Å; D62-F64 VanDerWaalsContact O-CD2 3.29Å; D62-F64 WeakPolarHBondContact O-CD2 3.38Å; D62-F64 PolarHBondContact O-N 3.45Å |
| 63 | T | 64.1 | Low | 72.8 | Confident | 45 Ų | 45 | 80.2 Ų | 80.2 | 28% | 0.276 | 38% | 0.377 | S | S | . | . | trans | -89.8 | 94.5 | 179 | -51.2 | 0 | 0 | 0 | 0 | 108.8 | R58 A61 Y65 | R58-T63 PolarHBondContact O-N 3.17Å; A61-T63 PolarHBondContact O-N 2.98Å; A61-T63 VanDerWaalsContact O-N 3.13Å; A61-T63 PolarHBondContact O-OG1 3.26Å; T63-Y65 HydrophobicContact CG2-CD2 3.89Å; T63-Y65 HydrophobicContact CG2-CE2 3.22Å | ||
| 64 | F | 64.4 | Low | 72.7 | Confident | 128 Ų | 128 | 82.3 Ų | 82.3 | 56% | 0.561 | 39% | 0.391 | S | S | * | . | trans | -107.4 | 117.8 | 173.6 | -53.8 | -81.9 | 0 | 0 | 0 | 108.3 | Y59 D62 | Y59-F64 AromaticContact CD2-CE1 3.53Å; Y59-F64 HydrophobicContact CD2-CE1 3.53Å; Y59-F64 HydrophobicContact CD2-CZ 4.03Å; Y59-F64 AromaticContact CE2-CE1 3.62Å; Y59-F64 HydrophobicContact CE2-CE1 3.62Å; Y59-F64 HydrophobicContact CE2-CZ 4.01Å; Y59-F64 HydrophobicContact CG-CE1 4.43Å; D62-F64 HydrophobicContact CB-CE2 4.12Å; D62-F64 VanDerWaalsContact O-CD2 3.29Å; D62-F64 WeakPolarHBondContact O-CD2 3.38Å; D62-F64 PolarHBondContact O-N 3.45Å | ||
| 65 | Y | 65.9 | Low | 72.3 | Confident | 214 Ų | 214 | 89.8 Ų | 89.8 | 84% | 0.839 | 43% | 0.427 | S | S | * | . | trans | -95.1 | 0 | 174 | -67.3 | -86.3 | 0 | 0 | 0 | 110.6 | D38 T63 | D38-Y65 HydrophobicContact CB-CE2 4.3Å; D38-Y65 WeakPolarHBondContact OD2-CD2 3.37Å; D38-Y65 WeakPolarHBondContact OD2-CE2 3.18Å; T63-Y65 HydrophobicContact CG2-CD2 3.89Å; T63-Y65 HydrophobicContact CG2-CE2 3.22Å |
Retrieved 65 of 65 residues in 16.2 ms
(Link to these results)