| 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 | 36.6 | Very low | 51 | Low | 241 Ų | 241 | 146.7 Ų | 146.7 | 100% | 1.187 | 73% | 0.732 | S | S | * | * | 0 | 103.6 | 0 | -94.3 | 172.9 | -178.1 | 0 | 0 | 107.9 | |||||
| 2 | M | 43.9 | Very low | 53 | Low | 206 Ų | 206 | 145.8 Ų | 145.8 | 100% | 1.015 | 73% | 0.732 | S | S | * | * | trans | -90.4 | 104.3 | 168.2 | -85.4 | 178.7 | 173 | 0 | 0 | 106.9 | ||||
| 3 | H | 48.9 | Very low | 55.4 | Low | 159 Ų | 159 | 138.5 Ų | 138.5 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | trans | -100.5 | 115.3 | -174.2 | -163.2 | -109.6 | 0 | 0 | 0 | 108.8 | ||||
| 4 | I | 51.6 | Low | 57.6 | Low | 98 Ų | 98 | 136 Ų | 136 | 50% | 0.503 | 69% | 0.691 | S | S | . | * | trans | 60.6 | 80.2 | 148.8 | -45.6 | -179 | 0 | 0 | 0 | 116 | ||||
| 5 | S | 49.9 | Very low | 59.5 | Low | 93 Ų | 93 | 136.5 Ų | 136.5 | 65% | 0.65 | 69% | 0.687 | S | S | * | * | trans | -102.2 | 4.6 | 146.2 | -60.3 | 0 | 0 | 0 | 0 | 112 | S7 N9 | S5-S7 PolarHBondContact O-N 3.46Å; S5-N9 PolarHBondContact O-ND2 3.02Å | ||
| 6 | D | 51.2 | Low | 61.3 | Low | 123 Ų | 123 | 131.3 Ų | 131.3 | 66% | 0.658 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -69.8 | -29.7 | -172.2 | -58.7 | -52.2 | 0 | 0 | 0 | 112.9 | Q10 | D6-Q10 WeakPolarHBondContact O-CB 3.32Å; D6-Q10 PolarHBondContact O-N 2.97Å |
| 7 | S | 52.8 | Low | 63 | Low | 85 Ų | 85 | 126.6 Ų | 126.6 | 59% | 0.594 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71.9 | -34.4 | -172.3 | -171.8 | 0 | 0 | 0 | 0 | 114.2 | S5 | S5-S7 PolarHBondContact O-N 3.46Å |
| 8 | Y | 50.4 | Low | 64.6 | Low | 205 Ų | 205 | 121.4 Ų | 121.4 | 80% | 0.804 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -83.4 | -26.6 | -176.8 | -146.8 | -96.6 | 0 | 0 | 0 | 112.9 | ||
| 9 | N | 53.7 | Low | 65.9 | Low | 107 Ų | 107 | 118.7 Ų | 118.7 | 57% | 0.572 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -87 | -20.5 | -179.9 | -68 | -72.7 | 0 | 0 | 0 | 113 | S5 K11 N12 S13 | S5-N9 PolarHBondContact O-ND2 3.02Å; N9-K11 VanDerWaalsContact C-N 3.27Å; N9-K11 PolarHBondContact O-N 2.78Å; N9-N12 PolarHBondContact O-N 3.36Å; N9-N12 VanDerWaalsContact O-N 3.17Å; N9-S13 PolarHBondContact O-N 3.31Å |
| 10 | Q | 58.1 | Low | 67.3 | Low | 140 Ų | 140 | 121.8 Ų | 121.8 | 65% | 0.654 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -65.6 | -28.9 | -176.6 | -162.4 | 163.5 | 23.3 | 0 | 0 | 113.2 | D6 N12 S13 N16 | D6-Q10 WeakPolarHBondContact O-CB 3.32Å; D6-Q10 PolarHBondContact O-N 2.97Å; Q10-N12 VanDerWaalsContact C-N 3.29Å; Q10-N12 PolarHBondContact O-N 2.9Å; Q10-S13 WeakPolarHBondContact O-CB 3.07Å; Q10-S13 PolarHBondContact O-N 3.29Å; Q10-N16 WeakPolarHBondContact O-CB 3.28Å |
| 11 | K | 63.5 | Low | 68.5 | Low | 157 Ų | 157 | 118.7 Ų | 118.7 | 68% | 0.683 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -69 | -26.1 | 177 | -66.5 | -176.6 | -179.1 | 176.9 | 0 | 113.4 | N9 N16 | N9-K11 VanDerWaalsContact C-N 3.27Å; N9-K11 PolarHBondContact O-N 2.78Å; K11-N16 WeakPolarHBondContact CA-ND2 3.42Å; K11-N16 PolarHBondContact O-ND2 2.93Å |
| 12 | N | 74.8 | Confident | 71.2 | Confident | 136 Ų | 136 | 108.3 Ų | 108.3 | 73% | 0.727 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -99.7 | 4.8 | 178.6 | -60.5 | -30.8 | 0 | 0 | 0 | 112.5 | N9 Q10 | N9-N12 PolarHBondContact O-N 3.36Å; N9-N12 VanDerWaalsContact O-N 3.17Å; Q10-N12 VanDerWaalsContact C-N 3.29Å; Q10-N12 PolarHBondContact O-N 2.9Å |
| 13 | S | 84.6 | Confident | 73.6 | Confident | 51 Ų | 51 | 100.3 Ų | 100.3 | 36% | 0.357 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -64.4 | 141.7 | 176.9 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | N9 Q10 F15 N16 A17 | N9-S13 PolarHBondContact O-N 3.31Å; Q10-S13 WeakPolarHBondContact O-CB 3.07Å; Q10-S13 PolarHBondContact O-N 3.29Å; S13-F15 PolarHBondContact O-N 2.9Å; S13-F15 VanDerWaalsContact O-N 3.17Å; S13-F15 PolarHBondContact OG-N 3.43Å; S13-N16 WeakPolarHBondContact O-CB 3.35Å; S13-N16 PolarHBondContact O-N 3.34Å; S13-A17 PolarHBondContact O-N 3.44Å |
| 14 | L | 86.5 | Confident | 75.8 | Confident | 103 Ų | 103 | 95.6 Ų | 95.6 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -49.4 | -40.8 | 171.6 | 177.4 | 62.7 | 0 | 0 | 0 | 111.1 | N16 A17 M18 L128 | L14-N16 VanDerWaalsContact C-N 3.33Å; L14-N16 PolarHBondContact O-N 3.38Å; L14-A17 PolarHBondContact O-N 2.94Å; L14-M18 HydrophobicContact CD1-CG 4.11Å; L14-M18 HydrophobicContact CD1-SD 4.15Å; L14-M18 HydrophobicContact CD2-SD 4.4Å; L14-M18 HydrophobicContact CG-CG 4.3Å; L14-M18 HydrophobicContact CG-SD 3.84Å; L14-M18 WeakPolarHBondContact O-CB 3.44Å; L14-M18 VanDerWaalsContact O-CG 3.22Å; L14-M18 WeakPolarHBondContact O-CG 3.41Å; L14-M18 PolarHBondContact O-N 3.22Å; L14-L128 HydrophobicContact CD2-CD2 3.74Å |
| 15 | F | 85.7 | Confident | 77.8 | Confident | 143 Ų | 143 | 91.2 Ų | 91.2 | 63% | 0.627 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.4 | -42.2 | 177.2 | -177.6 | -104.8 | 0 | 0 | 0 | 112.5 | S13 N19 | S13-F15 PolarHBondContact O-N 2.9Å; S13-F15 VanDerWaalsContact O-N 3.17Å; S13-F15 PolarHBondContact OG-N 3.43Å; F15-N19 WeakPolarHBondContact CD1-ND2 3.12Å; F15-N19 WeakPolarHBondContact CE1-ND2 3.3Å; F15-N19 VanDerWaalsContact CZ-ND2 3.31Å; F15-N19 WeakPolarHBondContact CZ-ND2 3.12Å; F15-N19 VanDerWaalsContact O-CG 3.25Å; F15-N19 PolarHBondContact O-N 2.88Å; F15-N19 PolarHBondContact O-ND2 2.85Å; F15-N19 VanDerWaalsContact O-ND2 3.07Å |
| 16 | N | 89.3 | Confident | 79.9 | Confident | 53 Ų | 53 | 89.3 Ų | 89.3 | 28% | 0.283 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -71.2 | -39.2 | 177.9 | -170.2 | 43 | 0 | 0 | 0 | 111.8 | Q10 K11 S13 L14 N19 R20 | Q10-N16 WeakPolarHBondContact O-CB 3.28Å; K11-N16 WeakPolarHBondContact CA-ND2 3.42Å; K11-N16 PolarHBondContact O-ND2 2.93Å; S13-N16 WeakPolarHBondContact O-CB 3.35Å; S13-N16 PolarHBondContact O-N 3.34Å; L14-N16 VanDerWaalsContact C-N 3.33Å; L14-N16 PolarHBondContact O-N 3.38Å; N16-N19 PolarHBondContact O-N 3.5Å; N16-R20 VanDerWaalsContact O-CG 3.31Å; N16-R20 WeakPolarHBondContact O-CG 3.37Å; N16-R20 PolarHBondContact O-N 3.32Å |
| 17 | A | 89.9 | Confident | 82 | Confident | 53 Ų | 53 | 88.2 Ų | 88.2 | 44% | 0.438 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S13 L14 R20 F21 | S13-A17 PolarHBondContact O-N 3.44Å; L14-A17 PolarHBondContact O-N 2.94Å; A17-R20 PolarHBondContact O-N 2.89Å; A17-F21 PolarHBondContact O-N 3.48Å |
| 18 | M | 90.6 | Very high | 83.9 | Confident | 33 Ų | 33 | 86.1 Ų | 86.1 | 16% | 0.163 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 175.5 | -68.5 | 173.2 | 87.3 | 0 | 0 | 111.7 | L14 R20 F21 I22 I85 F121 L125 | L14-M18 HydrophobicContact CD1-CG 4.11Å; L14-M18 HydrophobicContact CD1-SD 4.15Å; L14-M18 HydrophobicContact CD2-SD 4.4Å; L14-M18 HydrophobicContact CG-CG 4.3Å; L14-M18 HydrophobicContact CG-SD 3.84Å; L14-M18 WeakPolarHBondContact O-CB 3.44Å; L14-M18 VanDerWaalsContact O-CG 3.22Å; L14-M18 WeakPolarHBondContact O-CG 3.41Å; L14-M18 PolarHBondContact O-N 3.22Å; M18-R20 VanDerWaalsContact C-N 3.33Å; M18-R20 PolarHBondContact O-N 3.24Å; M18-F21 WeakPolarHBondContact O-CB 3.5Å; M18-F21 PolarHBondContact O-N 3.36Å; M18-I22 VanDerWaalsContact O-CG1 3.28Å; M18-I22 WeakPolarHBondContact O-CG1 3.35Å; M18-I22 PolarHBondContact O-N 2.94Å; M18-I85 HydrophobicContact CB-CG2 4.47Å; M18-I85 HydrophobicContact CE-CB 4.07Å; M18-I85 HydrophobicContact CE-CD1 4.03Å; M18-I85 HydrophobicContact CE-CG1 3.61Å; M18-I85 HydrophobicContact CE-CG2 3.5Å; M18-F121 HydrophobicContact CE-CZ 4.41Å; M18-L125 HydrophobicContact CE-CD1 4.16Å |
| 19 | N | 90.8 | Very high | 85.8 | Confident | 69 Ų | 69 | 78.4 Ų | 78.4 | 37% | 0.369 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.1 | -37.5 | 177.8 | -72.1 | -32.5 | 0 | 0 | 0 | 113 | F15 N16 G23 | F15-N19 WeakPolarHBondContact CD1-ND2 3.12Å; F15-N19 WeakPolarHBondContact CE1-ND2 3.3Å; F15-N19 VanDerWaalsContact CZ-ND2 3.31Å; F15-N19 WeakPolarHBondContact CZ-ND2 3.12Å; F15-N19 VanDerWaalsContact O-CG 3.25Å; F15-N19 PolarHBondContact O-N 2.88Å; F15-N19 PolarHBondContact O-ND2 2.85Å; F15-N19 VanDerWaalsContact O-ND2 3.07Å; N16-N19 PolarHBondContact O-N 3.5Å; N19-G23 PolarHBondContact O-N 3.35Å |
| 20 | R | 92.1 | Very high | 87.6 | Confident | 181 Ų | 181 | 80.3 Ų | 80.3 | 68% | 0.683 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.4 | -42.6 | 173.9 | -72.4 | 174.8 | 68.2 | -169.1 | -0.2 | 111.4 | N16 A17 M18 G23 A24 | N16-R20 VanDerWaalsContact O-CG 3.31Å; N16-R20 WeakPolarHBondContact O-CG 3.37Å; N16-R20 PolarHBondContact O-N 3.32Å; A17-R20 PolarHBondContact O-N 2.89Å; M18-R20 VanDerWaalsContact C-N 3.33Å; M18-R20 PolarHBondContact O-N 3.24Å; R20-G23 PolarHBondContact O-N 3.33Å; R20-A24 PolarHBondContact O-N 3.42Å |
| 21 | F | 93.4 | Very high | 89.3 | Confident | 56 Ų | 56 | 78.1 Ų | 78.1 | 25% | 0.246 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.2 | -50.8 | 174.8 | 169.6 | -97.8 | 0 | 0 | 0 | 111.7 | A17 M18 G23 A24 V25 L78 I81 R82 I85 | A17-F21 PolarHBondContact O-N 3.48Å; M18-F21 WeakPolarHBondContact O-CB 3.5Å; M18-F21 PolarHBondContact O-N 3.36Å; F21-G23 VanDerWaalsContact C-N 3.27Å; F21-G23 PolarHBondContact O-N 3.05Å; F21-A24 PolarHBondContact O-N 2.9Å; F21-A24 VanDerWaalsContact O-N 3.09Å; F21-V25 HydrophobicContact CD1-CG2 4.37Å; F21-V25 HydrophobicContact CD2-CG2 4.09Å; F21-V25 HydrophobicContact CE1-CG2 3.93Å; F21-V25 HydrophobicContact CE2-CG2 3.64Å; F21-V25 HydrophobicContact CG-CG2 4.44Å; F21-V25 HydrophobicContact CZ-CG2 3.54Å; F21-V25 WeakPolarHBondContact O-CG2 3.45Å; F21-V25 PolarHBondContact O-N 3.4Å; F21-L78 HydrophobicContact CE2-CD2 3.74Å; F21-L78 HydrophobicContact CZ-CD2 4.21Å; F21-I81 HydrophobicContact CE1-CB 4.27Å; F21-I81 HydrophobicContact CE1-CG2 3.67Å; F21-I81 HydrophobicContact CZ-CB 3.94Å; F21-I81 HydrophobicContact CZ-CG2 3.59Å; F21-R82 HydrophobicContact CE1-CB 4.11Å; F21-I85 HydrophobicContact CD1-CD1 3.57Å; F21-I85 HydrophobicContact CE1-CD1 3.76Å |
| 22 | I | 92.9 | Very high | 90.7 | Very high | 23 Ų | 23 | 72 Ų | 72 | 12% | 0.118 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -56 | -44.7 | 176.9 | -64 | 164.9 | 0 | 0 | 0 | 110.5 | M18 A24 V25 N26 R82 I85 E86 | M18-I22 VanDerWaalsContact O-CG1 3.28Å; M18-I22 WeakPolarHBondContact O-CG1 3.35Å; M18-I22 PolarHBondContact O-N 2.94Å; I22-A24 PolarHBondContact O-N 3.47Å; I22-V25 PolarHBondContact O-N 3.15Å; I22-N26 WeakPolarHBondContact CG2-ND2 3.41Å; I22-N26 VanDerWaalsContact O-CB 3.26Å; I22-N26 WeakPolarHBondContact O-CB 3.41Å; I22-N26 PolarHBondContact O-N 2.91Å; I22-N26 PolarHBondContact O-ND2 2.88Å; I22-R82 HydrophobicContact CG2-CG 4.41Å; I22-I85 HydrophobicContact CD1-CG2 3.54Å; I22-I85 HydrophobicContact CG1-CG2 4.03Å; I22-E86 HydrophobicContact CD1-CG 4.39Å; I22-E86 WeakPolarHBondContact CG2-OE1 3.33Å |
| 23 | G | 94.1 | Very high | 91.4 | Very high | 39 Ų | 39 | 71.9 Ų | 71.9 | 40% | 0.402 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N19 R20 F21 N26 N27 | N19-G23 PolarHBondContact O-N 3.35Å; R20-G23 PolarHBondContact O-N 3.33Å; F21-G23 VanDerWaalsContact C-N 3.27Å; F21-G23 PolarHBondContact O-N 3.05Å; G23-N26 PolarHBondContact O-N 3.07Å; G23-N27 WeakPolarHBondContact O-CB 3.41Å; G23-N27 PolarHBondContact O-N 3.17Å |
| 24 | A | 95.6 | Very high | 91.6 | Very high | 60 Ų | 60 | 73 Ų | 73 | 50% | 0.496 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.9 | -46.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R20 F21 I22 N26 N27 M28 | R20-A24 PolarHBondContact O-N 3.42Å; F21-A24 PolarHBondContact O-N 2.9Å; F21-A24 VanDerWaalsContact O-N 3.09Å; I22-A24 PolarHBondContact O-N 3.47Å; A24-N26 VanDerWaalsContact C-N 3.3Å; A24-N26 PolarHBondContact O-N 3.36Å; A24-N27 PolarHBondContact O-N 3.16Å; A24-M28 WeakPolarHBondContact O-CB 3.26Å; A24-M28 PolarHBondContact O-N 2.8Å |
| 25 | V | 93.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 69.8 Ų | 69.8 | 3% | 0.03 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.9 | -36.1 | 177.8 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | F21 I22 M28 D29 L78 K79 R82 | F21-V25 HydrophobicContact CD1-CG2 4.37Å; F21-V25 HydrophobicContact CD2-CG2 4.09Å; F21-V25 HydrophobicContact CE1-CG2 3.93Å; F21-V25 HydrophobicContact CE2-CG2 3.64Å; F21-V25 HydrophobicContact CG-CG2 4.44Å; F21-V25 HydrophobicContact CZ-CG2 3.54Å; F21-V25 WeakPolarHBondContact O-CG2 3.45Å; F21-V25 PolarHBondContact O-N 3.4Å; I22-V25 PolarHBondContact O-N 3.15Å; V25-M28 HydrophobicContact CG1-CE 3.75Å; V25-M28 WeakPolarHBondContact O-CB 3.41Å; V25-M28 PolarHBondContact O-N 3.03Å; V25-D29 WeakPolarHBondContact O-CB 3.5Å; V25-D29 PolarHBondContact O-N 3.1Å; V25-L78 HydrophobicContact CG1-CB 4.48Å; V25-L78 HydrophobicContact CG2-CB 4.17Å; V25-K79 HydrophobicContact CG1-CG 4.22Å; V25-R82 HydrophobicContact CB-CB 4.32Å; V25-R82 HydrophobicContact CB-CG 4.49Å; V25-R82 HydrophobicContact CG1-CB 3.88Å; V25-R82 HydrophobicContact CG1-CG 4.26Å |
| 26 | N | 93.1 | Very high | 91.5 | Very high | 54 Ų | 54 | 66.4 Ų | 66.4 | 29% | 0.289 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 174.8 | -75.6 | -16.2 | 0 | 0 | 0 | 112.3 | I22 G23 A24 M28 D29 Q30 R82 | I22-N26 WeakPolarHBondContact CG2-ND2 3.41Å; I22-N26 VanDerWaalsContact O-CB 3.26Å; I22-N26 WeakPolarHBondContact O-CB 3.41Å; I22-N26 PolarHBondContact O-N 2.91Å; I22-N26 PolarHBondContact O-ND2 2.88Å; G23-N26 PolarHBondContact O-N 3.07Å; A24-N26 VanDerWaalsContact C-N 3.3Å; A24-N26 PolarHBondContact O-N 3.36Å; N26-M28 VanDerWaalsContact C-N 3.34Å; N26-D29 PolarHBondContact O-N 3.5Å; N26-Q30 WeakPolarHBondContact O-CG 3.48Å; N26-Q30 PolarHBondContact O-N 3.16Å; N26-R82 WeakPolarHBondContact OD1-CD 3.28Å; N26-R82 PolarHBondContact OD1-NH1 3.39Å |
| 27 | N | 95.4 | Very high | 91.4 | Very high | 100 Ų | 100 | 70 Ų | 70 | 54% | 0.535 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 173.2 | 177.9 | -108.5 | 0 | 0 | 0 | 111.9 | G23 A24 Q30 T31 | G23-N27 WeakPolarHBondContact O-CB 3.41Å; G23-N27 PolarHBondContact O-N 3.17Å; A24-N27 PolarHBondContact O-N 3.16Å; N27-Q30 PolarHBondContact O-N 3.07Å; N27-T31 WeakPolarHBondContact O-CB 3.36Å; N27-T31 PolarHBondContact O-N 3.43Å; N27-T31 PolarHBondContact O-OG1 2.95Å |
| 28 | M | 94 | Very high | 91.2 | Very high | 41 Ų | 41 | 68.6 Ų | 68.6 | 20% | 0.202 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.1 | -48.9 | 172.1 | 176.7 | -166.5 | 73.5 | 0 | 0 | 111.1 | A24 V25 N26 Q30 T31 V32 Y75 L78 K79 | A24-M28 WeakPolarHBondContact O-CB 3.26Å; A24-M28 PolarHBondContact O-N 2.8Å; V25-M28 HydrophobicContact CG1-CE 3.75Å; V25-M28 WeakPolarHBondContact O-CB 3.41Å; V25-M28 PolarHBondContact O-N 3.03Å; N26-M28 VanDerWaalsContact C-N 3.34Å; M28-Q30 VanDerWaalsContact C-N 3.29Å; M28-Q30 PolarHBondContact O-N 3.41Å; M28-T31 PolarHBondContact O-N 3.34Å; M28-V32 HydrophobicContact CG-CG2 4.13Å; M28-V32 WeakPolarHBondContact O-CG2 3.47Å; M28-V32 PolarHBondContact O-N 3.36Å; M28-Y75 HydrophobicContact CE-CD2 3.5Å; M28-Y75 VanDerWaalsContact CE-CD2 3.5Å; M28-Y75 HydrophobicContact CE-CE2 3.78Å; M28-Y75 HydrophobicContact CE-CG 4.37Å; M28-Y75 HydrophobicContact CG-CD2 4.16Å; M28-Y75 HydrophobicContact CG-CE2 4.4Å; M28-Y75 HydrophobicContact SD-CD2 3.79Å; M28-Y75 HydrophobicContact SD-CE2 4.44Å; M28-L78 HydrophobicContact CE-CB 4.17Å; M28-L78 HydrophobicContact CE-CD1 4.29Å; M28-L78 HydrophobicContact SD-CD1 3.77Å; M28-K79 HydrophobicContact CE-CG 4.09Å |
| 29 | D | 90.8 | Very high | 90.9 | Very high | 43 Ų | 43 | 73.3 Ų | 73.3 | 23% | 0.23 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.6 | -33.1 | -179.5 | -154.6 | 26.8 | 0 | 0 | 0 | 112.7 | V25 N26 T31 M33 Y75 K79 R82 | V25-D29 WeakPolarHBondContact O-CB 3.5Å; V25-D29 PolarHBondContact O-N 3.1Å; N26-D29 PolarHBondContact O-N 3.5Å; D29-T31 VanDerWaalsContact C-N 3.33Å; D29-M33 VanDerWaalsContact O-CE 3.29Å; D29-M33 WeakPolarHBondContact O-CE 3.49Å; D29-Y75 PolarHBondContact OD1-OH 3.32Å; D29-K79 IonicContact OD1-NZ 3.76Å; D29-K79 PolarHBondContact OD1-NZ 3.47Å; D29-K79 IonicContact OD2-NZ 2.94Å; D29-K79 PolarHBondContact OD2-NZ 3.33Å; D29-R82 IonicContact OD2-CZ 2.92Å; D29-R82 IonicContact OD2-NH1 3.31Å; D29-R82 PolarHBondContact OD2-NH1 3.28Å; D29-R82 IonicContact OD2-NH2 3.26Å; D29-R82 PolarHBondContact OD2-NH2 2.92Å |
| 30 | Q | 91.2 | Very high | 90.3 | Very high | 146 Ų | 146 | 76.6 Ų | 76.6 | 68% | 0.682 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -75.2 | -20.1 | 173.2 | -74.4 | -178.5 | -23.4 | 0 | 0 | 113.9 | N26 N27 M28 M33 | N26-Q30 WeakPolarHBondContact O-CG 3.48Å; N26-Q30 PolarHBondContact O-N 3.16Å; N27-Q30 PolarHBondContact O-N 3.07Å; M28-Q30 VanDerWaalsContact C-N 3.29Å; M28-Q30 PolarHBondContact O-N 3.41Å; Q30-M33 WeakPolarHBondContact O-CE 3.42Å |
| 31 | T | 94 | Very high | 89.7 | Confident | 95 Ų | 95 | 70.4 Ų | 70.4 | 58% | 0.583 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -95.3 | -40 | -178.7 | -54.8 | 0 | 0 | 0 | 0 | 111 | N27 M28 D29 M33 | N27-T31 WeakPolarHBondContact O-CB 3.36Å; N27-T31 PolarHBondContact O-N 3.43Å; N27-T31 PolarHBondContact O-OG1 2.95Å; M28-T31 PolarHBondContact O-N 3.34Å; D29-T31 VanDerWaalsContact C-N 3.33Å; T31-M33 PolarHBondContact O-N 2.82Å |
| 32 | V | 91.7 | Very high | 88.8 | Confident | 29 Ų | 29 | 71.6 Ų | 71.6 | 18% | 0.176 | 40% | 0.403 | C | S | . | . | trans | -80.5 | 85.8 | 179.2 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | M28 P35 L38 Y75 | M28-V32 HydrophobicContact CG-CG2 4.13Å; M28-V32 WeakPolarHBondContact O-CG2 3.47Å; M28-V32 PolarHBondContact O-N 3.36Å; V32-P35 HydrophobicContact CG1-CB 4.2Å; V32-P35 HydrophobicContact CG1-CG 4.04Å; V32-L38 HydrophobicContact CG1-CD1 3.71Å; V32-L38 HydrophobicContact CG1-CG 4.29Å; V32-L38 HydrophobicContact CG2-CD1 4.26Å; V32-Y75 HydrophobicContact CB-CD2 4.43Å; V32-Y75 HydrophobicContact CB-CE2 3.93Å; V32-Y75 HydrophobicContact CG1-CD2 4.31Å; V32-Y75 HydrophobicContact CG1-CE2 3.98Å; V32-Y75 HydrophobicContact CG2-CD2 4.36Å; V32-Y75 HydrophobicContact CG2-CE2 4.29Å | ||
| 33 | M | 89.4 | Confident | 87.6 | Confident | 132 Ų | 132 | 73.1 Ų | 73.1 | 65% | 0.65 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -76.9 | -24 | -178.9 | -62.2 | -64.5 | 84 | 0 | 0 | 113.9 | D29 Q30 T31 | D29-M33 VanDerWaalsContact O-CE 3.29Å; D29-M33 WeakPolarHBondContact O-CE 3.49Å; Q30-M33 WeakPolarHBondContact O-CE 3.42Å; T31-M33 PolarHBondContact O-N 2.82Å |
| 34 | V | 89.1 | Confident | 85.9 | Confident | 74 Ų | 74 | 78 Ų | 78 | 45% | 0.448 | 43% | 0.427 | S | S | . | . | trans | -133.7 | 84.8 | 179.3 | -171.8 | 0 | 0 | 0 | 0 | 108.9 | S36 L37 | V34-S36 WeakPolarHBondContact CG1-OG 3.06Å; V34-S36 PolarHBondContact O-N 3.26Å; V34-S36 VanDerWaalsContact O-N 3.12Å; V34-L37 HydrophobicContact CB-CD1 3.9Å; V34-L37 HydrophobicContact CB-CG 4.01Å; V34-L37 HydrophobicContact CG1-CD1 4.19Å; V34-L37 HydrophobicContact CG1-CG 3.83Å; V34-L37 WeakPolarHBondContact O-CB 3.41Å; V34-L37 PolarHBondContact O-N 2.85Å; V34-L37 VanDerWaalsContact O-N 3.08Å | ||
| 35 | P | 85.3 | Confident | 84 | Confident | 37 Ų | 37 | 83.1 Ų | 83.1 | 24% | 0.24 | 44% | 0.441 | C | S | . | . | G | 310 helix | trans | -59.6 | -25.3 | -175.6 | -26.6 | 35.2 | 0 | 0 | 0 | 114.4 | V32 L37 L38 Y72 Y75 | V32-P35 HydrophobicContact CG1-CB 4.2Å; V32-P35 HydrophobicContact CG1-CG 4.04Å; P35-L37 PolarHBondContact O-N 2.86Å; P35-L38 WeakPolarHBondContact O-CB 3.48Å; P35-L38 PolarHBondContact O-N 2.79Å; P35-Y72 HydrophobicContact CB-CD2 4.17Å; P35-Y72 HydrophobicContact CB-CE2 3.9Å; P35-Y72 VanDerWaalsContact O-CD2 3.25Å; P35-Y72 WeakPolarHBondContact O-CD2 3.37Å; P35-Y75 HydrophobicContact CB-CD1 4.18Å; P35-Y75 HydrophobicContact CB-CE1 3.69Å; P35-Y75 HydrophobicContact CG-CE1 3.85Å |
| 36 | S | 85.4 | Confident | 81.7 | Confident | 72 Ų | 72 | 91.5 Ų | 91.5 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -64.5 | -19.4 | 177.7 | 57.1 | 0 | 0 | 0 | 0 | 113.6 | V34 L38 R39 | V34-S36 WeakPolarHBondContact CG1-OG 3.06Å; V34-S36 PolarHBondContact O-N 3.26Å; V34-S36 VanDerWaalsContact O-N 3.12Å; S36-L38 PolarHBondContact O-N 3.45Å; S36-R39 PolarHBondContact O-N 3.18Å |
| 37 | L | 86.6 | Confident | 79.5 | Confident | 127 Ų | 127 | 98.1 Ų | 98.1 | 67% | 0.665 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -71.4 | -12.4 | 174 | -63.4 | 179.2 | 0 | 0 | 0 | 112.9 | V34 P35 R39 V41 | V34-L37 HydrophobicContact CB-CD1 3.9Å; V34-L37 HydrophobicContact CB-CG 4.01Å; V34-L37 HydrophobicContact CG1-CD1 4.19Å; V34-L37 HydrophobicContact CG1-CG 3.83Å; V34-L37 WeakPolarHBondContact O-CB 3.41Å; V34-L37 PolarHBondContact O-N 2.85Å; V34-L37 VanDerWaalsContact O-N 3.08Å; P35-L37 PolarHBondContact O-N 2.86Å; L37-R39 VanDerWaalsContact C-N 3.34Å; L37-V41 VanDerWaalsContact O-CG2 3.28Å; L37-V41 WeakPolarHBondContact O-CG2 3.44Å |
| 38 | L | 85.9 | Confident | 77.2 | Confident | 24 Ų | 24 | 101.8 Ų | 101.8 | 13% | 0.126 | 52% | 0.523 | C | S | . | . | G | 310 helix | trans | -89.5 | -2.1 | 177.4 | -53.9 | -175.6 | 0 | 0 | 0 | 112.6 | V32 P35 S36 M71 Y72 Y75 | V32-L38 HydrophobicContact CG1-CD1 3.71Å; V32-L38 HydrophobicContact CG1-CG 4.29Å; V32-L38 HydrophobicContact CG2-CD1 4.26Å; P35-L38 WeakPolarHBondContact O-CB 3.48Å; P35-L38 PolarHBondContact O-N 2.79Å; S36-L38 PolarHBondContact O-N 3.45Å; L38-M71 HydrophobicContact CB-CB 4.11Å; L38-M71 HydrophobicContact CB-CG 4.27Å; L38-M71 HydrophobicContact CD1-CG 4.28Å; L38-M71 HydrophobicContact CD2-CE 4.2Å; L38-M71 HydrophobicContact CD2-CG 4.23Å; L38-M71 HydrophobicContact CD2-SD 3.69Å; L38-M71 HydrophobicContact CG-CG 4.5Å; L38-Y72 PolarHBondContact O-N 3.11Å; L38-Y75 HydrophobicContact CD1-CD2 4.28Å; L38-Y75 HydrophobicContact CD1-CG 4.2Å |
| 39 | R | 83.9 | Confident | 74.7 | Confident | 132 Ų | 132 | 106 Ų | 106 | 50% | 0.498 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.7 | 142.3 | 174.8 | -68.3 | -173.5 | -179.5 | -178.5 | -0.7 | 109.5 | S36 L37 V41 Y72 | S36-R39 PolarHBondContact O-N 3.18Å; L37-R39 VanDerWaalsContact C-N 3.34Å; R39-V41 PolarHBondContact O-N 3.45Å; R39-V41 VanDerWaalsContact O-N 3.09Å; R39-Y72 HydrophobicContact CG-CD1 3.99Å; R39-Y72 HydrophobicContact CG-CD2 4.37Å; R39-Y72 HydrophobicContact CG-CG 3.81Å |
| 40 | D | 78.4 | Confident | 72.6 | Confident | 138 Ų | 138 | 114 Ų | 114 | 74% | 0.738 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59 | 17.4 | -178.7 | -44 | -71.5 | 0 | 0 | 0 | 113.7 | D70 | D40-D70 VanDerWaalsContact N-CG 3.3Å; D40-D70 PolarHBondContact N-OD2 3.06Å |
| 41 | V | 78.8 | Confident | 70.2 | Confident | 52 Ų | 52 | 111.9 Ų | 111.9 | 32% | 0.315 | 58% | 0.581 | S | S | . | * | trans | -93.9 | 113.7 | 172.5 | 179.1 | 0 | 0 | 0 | 0 | 107.5 | L37 R39 M71 | L37-V41 VanDerWaalsContact O-CG2 3.28Å; L37-V41 WeakPolarHBondContact O-CG2 3.44Å; R39-V41 PolarHBondContact O-N 3.45Å; R39-V41 VanDerWaalsContact O-N 3.09Å; V41-M71 HydrophobicContact CB-CB 4.24Å; V41-M71 HydrophobicContact CG1-CB 4.42Å; V41-M71 HydrophobicContact CG1-SD 4.35Å; V41-M71 PolarHBondContact O-N 2.95Å; V41-M71 VanDerWaalsContact O-N 3.16Å | ||
| 42 | P | 74.9 | Confident | 67.9 | Low | 81 Ų | 81 | 114.7 Ų | 114.7 | 53% | 0.526 | 59% | 0.591 | S | S | . | * | trans | -63.4 | 141.1 | 173.3 | 28.1 | -32.7 | 0 | 0 | 0 | 108.8 | D44 | P42-D44 VanDerWaalsContact C-N 3.32Å; P42-D44 PolarHBondContact O-N 3.22Å | ||
| 43 | L | 68.3 | Low | 65.3 | Low | 54 Ų | 54 | 118.9 Ų | 118.9 | 28% | 0.283 | 62% | 0.621 | S | S | . | * | trans | -69.4 | 99.1 | 163.8 | -69 | 171.4 | 0 | 0 | 0 | 105.9 | E45 D68 M71 | L43-E45 PolarHBondContact O-N 2.98Å; L43-D68 WeakPolarHBondContact CB-OD2 3.38Å; L43-D68 WeakPolarHBondContact CD1-OD2 3.28Å; L43-M71 HydrophobicContact CD2-CB 4.01Å; L43-M71 HydrophobicContact CD2-CG 3.98Å | ||
| 44 | D | 58.5 | Low | 63.5 | Low | 141 Ų | 141 | 117.6 Ų | 117.6 | 75% | 0.754 | 62% | 0.623 | S | S | * | * | trans | -63.2 | 104.9 | 170.9 | -73.5 | -32.3 | 0 | 0 | 0 | 106.7 | P42 E46 | P42-D44 VanDerWaalsContact C-N 3.32Å; P42-D44 PolarHBondContact O-N 3.22Å; D44-E46 PolarHBondContact O-N 3.47Å | ||
| 45 | E | 54.7 | Low | 61.1 | Low | 168 Ų | 168 | 120.9 Ų | 120.9 | 79% | 0.785 | 64% | 0.636 | S | S | * | * | trans | -60.2 | 91.1 | 164.1 | -70.9 | -177.9 | 174 | 0 | 0 | 106.9 | L43 E47 | L43-E45 PolarHBondContact O-N 2.98Å; E45-E47 PolarHBondContact O-N 3.33Å | ||
| 46 | E | 46.2 | Very low | 59.1 | Low | 182 Ų | 182 | 129.5 Ų | 129.5 | 85% | 0.85 | 66% | 0.664 | S | S | * | * | trans | -58.1 | 107 | 165.6 | -88.1 | -178.6 | 165.3 | 0 | 0 | 107.6 | D44 E48 | D44-E46 PolarHBondContact O-N 3.47Å; E46-E48 VanDerWaalsContact C-N 3.31Å; E46-E48 PolarHBondContact O-N 3.28Å | ||
| 47 | E | 47.3 | Very low | 56.6 | Low | 192 Ų | 192 | 132.4 Ų | 132.4 | 90% | 0.897 | 68% | 0.679 | S | S | * | * | trans | -54.4 | 84 | 173.2 | -73.3 | -152.4 | 160.5 | 0 | 0 | 111.9 | E45 | E45-E47 PolarHBondContact O-N 3.33Š| ||
| 48 | E | 46 | Very low | 54.7 | Low | 178 Ų | 178 | 131.3 Ų | 131.3 | 83% | 0.832 | 69% | 0.688 | S | S | * | * | trans | -144.2 | 57.5 | 164.8 | -76.4 | -157.2 | 165.2 | 0 | 0 | 113.6 | E46 | E46-E48 VanDerWaalsContact C-N 3.31Å; E46-E48 PolarHBondContact O-N 3.28Å | ||
| 49 | V | 41.7 | Very low | 52.4 | Low | 130 Ų | 130 | 135.3 Ų | 135.3 | 79% | 0.788 | 72% | 0.718 | S | S | * | * | trans | -140 | 75.1 | 147.8 | -164.7 | 0 | 0 | 0 | 0 | 111.1 | T51 | V49-T51 VanDerWaalsContact C-N 3.34Å; V49-T51 WeakPolarHBondContact CG1-OG1 3.07Å; V49-T51 PolarHBondContact O-N 2.94Å | ||
| 50 | K | 48.5 | Very low | 50.3 | Low | 209 Ų | 209 | 136.2 Ų | 136.2 | 91% | 0.909 | 73% | 0.733 | S | S | * | * | trans | -73.9 | 83.5 | 164.6 | -162.8 | 178.9 | -166.5 | 172.7 | 0 | 109.7 | ||||
| 51 | T | 40.6 | Very low | 48.5 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 63% | 0.626 | 74% | 0.741 | S | S | * | * | trans | -137.9 | 91.5 | 163.6 | 40.5 | 0 | 0 | 0 | 0 | 113.5 | V49 | V49-T51 VanDerWaalsContact C-N 3.34Å; V49-T51 WeakPolarHBondContact CG1-OG1 3.07Å; V49-T51 PolarHBondContact O-N 2.94Å | ||
| 52 | I | 45.9 | Very low | 46.6 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 80% | 0.795 | 76% | 0.757 | S | S | * | * | trans | 59.5 | 99.9 | 134.3 | -49.4 | 151.2 | 0 | 0 | 0 | 117.7 | ||||
| 53 | S | 35.3 | Very low | 44.9 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | -171.6 | 153.9 | 103.8 | 30.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 54 | P | 52.8 | Low | 43.6 | Very low | 105 Ų | 105 | 139 Ų | 139 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | trans | -104.3 | 162.5 | -157.5 | 39.3 | -31.4 | 0 | 0 | 0 | 114.2 | ||||
| 55 | I | 38.7 | Very low | 42.9 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | 73.4 | 116 | 149 | -73.8 | 164.5 | 0 | 0 | 0 | 113.6 | ||||
| 56 | R | 43.6 | Very low | 42.2 | Very low | 217 Ų | 217 | 142.9 Ų | 142.9 | 82% | 0.819 | 78% | 0.782 | S | S | * | * | cis | -161.4 | 167.9 | 24.3 | -51.1 | 179.7 | 158.4 | -177.9 | -9.8 | 105.7 | ||||
| 57 | T | 32.3 | Very low | 42.3 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | cis | -174.5 | 148 | 41.7 | -3.9 | 0 | 0 | 0 | 0 | 106.5 | S59 | T57-S59 PolarHBondContact O-N 2.91Š| ||
| 58 | A | 45.5 | Very low | 42.5 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | trans | -58 | 127.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 59 | S | 38.6 | Very low | 43.3 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | trans | -172.2 | 133.2 | 135.8 | 60.6 | 0 | 0 | 0 | 0 | 110.8 | T57 | T57-S59 PolarHBondContact O-N 2.91Š| ||
| 60 | N | 39.7 | Very low | 45 | Very low | 151 Ų | 151 | 125 Ų | 125 | 81% | 0.807 | 70% | 0.697 | S | S | * | * | trans | 76.4 | 89.9 | 167.2 | -68 | 20.8 | 0 | 0 | 0 | 117.3 | S62 | N60-S62 PolarHBondContact O-N 3.06Š| ||
| 61 | G | 40.8 | Very low | 46.7 | Very low | 88 Ų | 88 | 118.8 Ų | 118.8 | 91% | 0.907 | 67% | 0.672 | S | S | * | * | trans | -60.2 | 89.1 | 148.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 62 | S | 38 | Very low | 48.9 | Very low | 91 Ų | 91 | 116.9 Ų | 116.9 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | trans | -114.7 | 89 | 157.8 | -178.5 | 0 | 0 | 0 | 0 | 105 | N60 T64 | N60-S62 PolarHBondContact O-N 3.06Å; S62-T64 PolarHBondContact O-N 2.97Å | ||
| 63 | T | 40.8 | Very low | 50.8 | Low | 97 Ų | 97 | 113.1 Ų | 113.1 | 60% | 0.595 | 64% | 0.635 | S | S | * | * | trans | -61.1 | 106.5 | 176.1 | -28.5 | 0 | 0 | 0 | 0 | 107.8 | Y65 | T63-Y65 HydrophobicContact CG2-CD2 3.49Å; T63-Y65 VanDerWaalsContact CG2-CD2 3.49Å; T63-Y65 HydrophobicContact CG2-CE1 4.31Å; T63-Y65 HydrophobicContact CG2-CE2 3.01Å; T63-Y65 HydrophobicContact CG2-CG 4.33Å; T63-Y65 VanDerWaalsContact CG2-CZ 3.46Å; T63-Y65 PolarHBondContact O-N 3.41Å | ||
| 64 | T | 41 | Very low | 53.2 | Low | 107 Ų | 107 | 112.2 Ų | 112.2 | 66% | 0.656 | 61% | 0.614 | S | S | * | * | trans | -70.7 | 48.4 | -173.7 | 30.9 | 0 | 0 | 0 | 0 | 112.5 | S62 F66 | S62-T64 PolarHBondContact O-N 2.97Å; T64-F66 PolarHBondContact O-N 3.21Å | ||
| 65 | Y | 43.4 | Very low | 54.9 | Low | 185 Ų | 185 | 107.9 Ų | 107.9 | 73% | 0.725 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 34.5 | -179.7 | -69.4 | -62 | 0 | 0 | 0 | 114.5 | T63 | T63-Y65 HydrophobicContact CG2-CD2 3.49Å; T63-Y65 VanDerWaalsContact CG2-CD2 3.49Å; T63-Y65 HydrophobicContact CG2-CE1 4.31Å; T63-Y65 HydrophobicContact CG2-CE2 3.01Å; T63-Y65 HydrophobicContact CG2-CG 4.33Å; T63-Y65 VanDerWaalsContact CG2-CZ 3.46Å; T63-Y65 PolarHBondContact O-N 3.41Å |
| 66 | F | 39.8 | Very low | 57.4 | Low | 205 Ų | 205 | 104.2 Ų | 104.2 | 90% | 0.899 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.1 | 20.1 | 179.9 | -71.8 | -71 | 0 | 0 | 0 | 114 | T64 | T64-F66 PolarHBondContact O-N 3.21Š|
| 67 | Q | 47.9 | Very low | 59.6 | Low | 174 Ų | 174 | 94.5 Ų | 94.5 | 81% | 0.813 | 53% | 0.533 | S | S | * | . | trans | -129.7 | 7.5 | -172.4 | -119.1 | 166.2 | 12 | 0 | 0 | 115.4 | ||||
| 68 | D | 52.3 | Low | 62.4 | Low | 74 Ų | 74 | 89.3 Ų | 89.3 | 40% | 0.396 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -101.2 | 126.9 | 166.5 | -154 | 8.2 | 0 | 0 | 0 | 107.6 | L43 D70 | L43-D68 WeakPolarHBondContact CB-OD2 3.38Å; L43-D68 WeakPolarHBondContact CD1-OD2 3.28Å; D68-D70 PolarHBondContact O-N 2.93Å |
| 69 | G | 61.2 | Low | 64.5 | Low | 11 Ų | 11 | 87 Ų | 87 | 11% | 0.113 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 141.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | M71 | G69-M71 PolarHBondContact O-N 2.89Š|
| 70 | D | 78.1 | Confident | 66.9 | Low | 48 Ų | 48 | 83.6 Ų | 83.6 | 26% | 0.257 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -47.8 | 144.6 | 175.9 | -69.1 | -8.2 | 0 | 0 | 0 | 110.8 | D40 D68 Y72 N73 Y74 | D40-D70 VanDerWaalsContact N-CG 3.3Å; D40-D70 PolarHBondContact N-OD2 3.06Å; D68-D70 PolarHBondContact O-N 2.93Å; D70-Y72 CarbonylContact O-C 3.6Å; D70-Y72 PolarHBondContact O-N 3.49Å; D70-N73 WeakPolarHBondContact O-CB 3.36Å; D70-N73 PolarHBondContact O-N 3.49Å; D70-Y74 PolarHBondContact O-N 3.41Å |
| 71 | M | 84.4 | Confident | 69.3 | Low | 79 Ų | 79 | 77.2 Ų | 77.2 | 39% | 0.389 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -51.4 | -28.3 | 178.1 | -171.2 | 176.5 | -177.4 | 0 | 0 | 113 | L38 V41 L43 G69 Y75 | L38-M71 HydrophobicContact CB-CB 4.11Å; L38-M71 HydrophobicContact CB-CG 4.27Å; L38-M71 HydrophobicContact CD1-CG 4.28Å; L38-M71 HydrophobicContact CD2-CE 4.2Å; L38-M71 HydrophobicContact CD2-CG 4.23Å; L38-M71 HydrophobicContact CD2-SD 3.69Å; L38-M71 HydrophobicContact CG-CG 4.5Å; V41-M71 HydrophobicContact CB-CB 4.24Å; V41-M71 HydrophobicContact CG1-CB 4.42Å; V41-M71 HydrophobicContact CG1-SD 4.35Å; V41-M71 PolarHBondContact O-N 2.95Å; V41-M71 VanDerWaalsContact O-N 3.16Å; L43-M71 HydrophobicContact CD2-CB 4.01Å; L43-M71 HydrophobicContact CD2-CG 3.98Å; G69-M71 PolarHBondContact O-N 2.89Å; M71-Y75 WeakPolarHBondContact O-CB 3.33Å; M71-Y75 PolarHBondContact O-N 2.91Å |
| 72 | Y | 86.4 | Confident | 71.6 | Confident | 62 Ų | 62 | 74.4 Ų | 74.4 | 24% | 0.243 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 171.6 | -177.7 | -108.5 | 0 | 0 | 0 | 114.1 | P35 L38 R39 D70 Y75 V76 | P35-Y72 HydrophobicContact CB-CD2 4.17Å; P35-Y72 HydrophobicContact CB-CE2 3.9Å; P35-Y72 VanDerWaalsContact O-CD2 3.25Å; P35-Y72 WeakPolarHBondContact O-CD2 3.37Å; L38-Y72 PolarHBondContact O-N 3.11Å; R39-Y72 HydrophobicContact CG-CD1 3.99Å; R39-Y72 HydrophobicContact CG-CD2 4.37Å; R39-Y72 HydrophobicContact CG-CG 3.81Å; D70-Y72 CarbonylContact O-C 3.6Å; D70-Y72 PolarHBondContact O-N 3.49Å; Y72-Y75 HydrophobicContact CD2-CD1 4.43Å; Y72-Y75 HydrophobicContact CE2-CD1 4.49Å; Y72-Y75 WeakPolarHBondContact O-CB 3.21Å; Y72-Y75 PolarHBondContact O-N 2.94Å; Y72-V76 HydrophobicContact CD1-CG2 4.34Å; Y72-V76 HydrophobicContact CD2-CG2 4.47Å; Y72-V76 HydrophobicContact CE1-CG2 3.92Å; Y72-V76 HydrophobicContact CE2-CG2 4.05Å; Y72-V76 WeakPolarHBondContact O-CG2 3.33Å; Y72-V76 PolarHBondContact O-N 3.43Å |
| 73 | N | 85.2 | Confident | 74 | Confident | 76 Ų | 76 | 71.9 Ų | 71.9 | 41% | 0.406 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.3 | -45 | 179.8 | -66.6 | -21.9 | 0 | 0 | 0 | 110.3 | D70 Y75 V76 L77 | D70-N73 WeakPolarHBondContact O-CB 3.36Å; D70-N73 PolarHBondContact O-N 3.49Å; N73-Y75 PolarHBondContact O-N 2.99Å; N73-V76 PolarHBondContact O-N 2.89Å; N73-L77 PolarHBondContact O-N 2.77Å |
| 74 | Y | 87.1 | Confident | 76.2 | Confident | 97 Ų | 97 | 67.4 Ų | 67.4 | 38% | 0.38 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 175.4 | -167.6 | -107.4 | 0 | 0 | 0 | 112.3 | D70 V76 L77 L78 | D70-Y74 PolarHBondContact O-N 3.41Å; Y74-V76 VanDerWaalsContact C-N 3.31Å; Y74-V76 PolarHBondContact O-N 3.04Å; Y74-L77 HydrophobicContact CD2-CD2 4.18Å; Y74-L77 HydrophobicContact CE2-CD2 4.3Å; Y74-L77 PolarHBondContact O-N 3.36Å; Y74-L78 HydrophobicContact CD1-CD1 3.67Å; Y74-L78 HydrophobicContact CD1-CG 4.08Å; Y74-L78 HydrophobicContact CE1-CD1 3.39Å; Y74-L78 HydrophobicContact CE1-CD2 4.14Å; Y74-L78 HydrophobicContact CE1-CG 3.83Å; Y74-L78 WeakPolarHBondContact O-CG 3.42Å; Y74-L78 PolarHBondContact O-N 3.35Å |
| 75 | Y | 89 | Confident | 78.4 | Confident | 15 Ų | 15 | 63.8 Ų | 63.8 | 6% | 0.059 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.4 | -43.2 | 172.2 | 168.7 | -91.5 | 0 | 0 | 0 | 112.1 | M28 D29 V32 P35 L38 M71 Y72 N73 K79 | M28-Y75 HydrophobicContact CE-CD2 3.5Å; M28-Y75 VanDerWaalsContact CE-CD2 3.5Å; M28-Y75 HydrophobicContact CE-CE2 3.78Å; M28-Y75 HydrophobicContact CE-CG 4.37Å; M28-Y75 HydrophobicContact CG-CD2 4.16Å; M28-Y75 HydrophobicContact CG-CE2 4.4Å; M28-Y75 HydrophobicContact SD-CD2 3.79Å; M28-Y75 HydrophobicContact SD-CE2 4.44Å; D29-Y75 PolarHBondContact OD1-OH 3.32Å; V32-Y75 HydrophobicContact CB-CD2 4.43Å; V32-Y75 HydrophobicContact CB-CE2 3.93Å; V32-Y75 HydrophobicContact CG1-CD2 4.31Å; V32-Y75 HydrophobicContact CG1-CE2 3.98Å; V32-Y75 HydrophobicContact CG2-CD2 4.36Å; V32-Y75 HydrophobicContact CG2-CE2 4.29Å; P35-Y75 HydrophobicContact CB-CD1 4.18Å; P35-Y75 HydrophobicContact CB-CE1 3.69Å; P35-Y75 HydrophobicContact CG-CE1 3.85Å; L38-Y75 HydrophobicContact CD1-CD2 4.28Å; L38-Y75 HydrophobicContact CD1-CG 4.2Å; M71-Y75 WeakPolarHBondContact O-CB 3.33Å; M71-Y75 PolarHBondContact O-N 2.91Å; Y72-Y75 HydrophobicContact CD2-CD1 4.43Å; Y72-Y75 HydrophobicContact CE2-CD1 4.49Å; Y72-Y75 WeakPolarHBondContact O-CB 3.21Å; Y72-Y75 PolarHBondContact O-N 2.94Å; N73-Y75 PolarHBondContact O-N 2.99Å; Y75-K79 HydrophobicContact CD1-CD 4.21Å; Y75-K79 HydrophobicContact CD2-CD 4.48Å; Y75-K79 HydrophobicContact CE1-CD 3.51Å; Y75-K79 HydrophobicContact CE2-CD 3.83Å; Y75-K79 WeakPolarHBondContact O-CG 3.4Å; Y75-K79 PolarHBondContact O-N 3.12Å; Y75-K79 VanDerWaalsContact OH-CD 3.31Å; Y75-K79 WeakPolarHBondContact OH-CD 3.48Å; Y75-K79 PolarHBondContact OH-NZ 3.5Å |
| 76 | V | 89.7 | Confident | 80.1 | Confident | 66 Ų | 66 | 59.2 Ų | 59.2 | 40% | 0.4 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.6 | -44.3 | 177.2 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | Y72 N73 Y74 K79 S80 | Y72-V76 HydrophobicContact CD1-CG2 4.34Å; Y72-V76 HydrophobicContact CD2-CG2 4.47Å; Y72-V76 HydrophobicContact CE1-CG2 3.92Å; Y72-V76 HydrophobicContact CE2-CG2 4.05Å; Y72-V76 WeakPolarHBondContact O-CG2 3.33Å; Y72-V76 PolarHBondContact O-N 3.43Å; N73-V76 PolarHBondContact O-N 2.89Å; Y74-V76 VanDerWaalsContact C-N 3.31Å; Y74-V76 PolarHBondContact O-N 3.04Å; V76-K79 PolarHBondContact O-N 3.43Å; V76-S80 PolarHBondContact O-N 3.34Å |
| 77 | L | 89.4 | Confident | 81.8 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.9 | -54.7 | 176.1 | 170.8 | 65.1 | 0 | 0 | 0 | 111.2 | N73 Y74 K79 S80 I81 D114 E118 | N73-L77 PolarHBondContact O-N 2.77Å; Y74-L77 HydrophobicContact CD2-CD2 4.18Å; Y74-L77 HydrophobicContact CE2-CD2 4.3Å; Y74-L77 PolarHBondContact O-N 3.36Å; L77-K79 PolarHBondContact O-N 2.98Å; L77-S80 WeakPolarHBondContact O-CA 3.31Å; L77-S80 WeakPolarHBondContact O-CB 3.05Å; L77-S80 PolarHBondContact O-N 2.58Å; L77-I81 HydrophobicContact CD1-CD1 3.79Å; L77-I81 HydrophobicContact CD1-CG1 4.12Å; L77-I81 HydrophobicContact CG-CD1 3.97Å; L77-I81 PolarHBondContact O-N 3.44Å; L77-D114 HydrophobicContact CD2-CB 3.71Å; L77-E118 HydrophobicContact CD1-CB 3.51Å; L77-E118 HydrophobicContact CD1-CG 3.9Å |
| 78 | L | 91.9 | Very high | 82.9 | Confident | 24 Ų | 24 | 50.1 Ų | 50.1 | 13% | 0.126 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.9 | -38.7 | -179.3 | -71.5 | 177 | 0 | 0 | 0 | 112 | F21 V25 M28 Y74 R82 | F21-L78 HydrophobicContact CE2-CD2 3.74Å; F21-L78 HydrophobicContact CZ-CD2 4.21Å; V25-L78 HydrophobicContact CG1-CB 4.48Å; V25-L78 HydrophobicContact CG2-CB 4.17Å; M28-L78 HydrophobicContact CE-CB 4.17Å; M28-L78 HydrophobicContact CE-CD1 4.29Å; M28-L78 HydrophobicContact SD-CD1 3.77Å; Y74-L78 HydrophobicContact CD1-CD1 3.67Å; Y74-L78 HydrophobicContact CD1-CG 4.08Å; Y74-L78 HydrophobicContact CE1-CD1 3.39Å; Y74-L78 HydrophobicContact CE1-CD2 4.14Å; Y74-L78 HydrophobicContact CE1-CG 3.83Å; Y74-L78 WeakPolarHBondContact O-CG 3.42Å; Y74-L78 PolarHBondContact O-N 3.35Å; L78-R82 WeakPolarHBondContact O-CB 3.33Å; L78-R82 PolarHBondContact O-N 3.17Å |
| 79 | K | 90.7 | Very high | 83.4 | Confident | 57 Ų | 57 | 47.9 Ų | 47.9 | 25% | 0.248 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.6 | -36.5 | 175.5 | -77 | -174.1 | 64.5 | 154.5 | 0 | 112.8 | V25 M28 D29 Y75 V76 L77 N83 | V25-K79 HydrophobicContact CG1-CG 4.22Å; M28-K79 HydrophobicContact CE-CG 4.09Å; D29-K79 IonicContact OD1-NZ 3.76Å; D29-K79 PolarHBondContact OD1-NZ 3.47Å; D29-K79 IonicContact OD2-NZ 2.94Å; D29-K79 PolarHBondContact OD2-NZ 3.33Å; Y75-K79 HydrophobicContact CD1-CD 4.21Å; Y75-K79 HydrophobicContact CD2-CD 4.48Å; Y75-K79 HydrophobicContact CE1-CD 3.51Å; Y75-K79 HydrophobicContact CE2-CD 3.83Å; Y75-K79 WeakPolarHBondContact O-CG 3.4Å; Y75-K79 PolarHBondContact O-N 3.12Å; Y75-K79 VanDerWaalsContact OH-CD 3.31Å; Y75-K79 WeakPolarHBondContact OH-CD 3.48Å; Y75-K79 PolarHBondContact OH-NZ 3.5Å; V76-K79 PolarHBondContact O-N 3.43Å; L77-K79 PolarHBondContact O-N 2.98Å; K79-N83 WeakPolarHBondContact O-CB 3.32Å; K79-N83 PolarHBondContact O-N 2.95Å |
| 80 | S | 87.7 | Confident | 83.1 | Confident | 36 Ų | 36 | 54.7 Ų | 54.7 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.1 | -52.1 | 174 | -163.8 | 0 | 0 | 0 | 0 | 110.5 | V76 L77 R82 N83 D84 E118 | V76-S80 PolarHBondContact O-N 3.34Å; L77-S80 WeakPolarHBondContact O-CA 3.31Å; L77-S80 WeakPolarHBondContact O-CB 3.05Å; L77-S80 PolarHBondContact O-N 2.58Å; S80-R82 VanDerWaalsContact C-N 3.34Å; S80-R82 PolarHBondContact O-N 2.93Å; S80-N83 WeakPolarHBondContact O-CB 3.37Å; S80-N83 PolarHBondContact O-N 3.44Å; S80-D84 PolarHBondContact O-N 3.35Å; S80-E118 VanDerWaalsContact CB-OE1 3.28Å; S80-E118 WeakPolarHBondContact CB-OE1 3.15Å; S80-E118 PolarHBondContact OG-OE1 3.37Å |
| 81 | I | 89.4 | Confident | 81.8 | Confident | 18 Ų | 18 | 56.6 Ų | 56.6 | 9% | 0.092 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 178 | -64.8 | 173.7 | 0 | 0 | 0 | 111.2 | F21 L77 N83 D84 I85 E118 F121 | F21-I81 HydrophobicContact CE1-CB 4.27Å; F21-I81 HydrophobicContact CE1-CG2 3.67Å; F21-I81 HydrophobicContact CZ-CB 3.94Å; F21-I81 HydrophobicContact CZ-CG2 3.59Å; L77-I81 HydrophobicContact CD1-CD1 3.79Å; L77-I81 HydrophobicContact CD1-CG1 4.12Å; L77-I81 HydrophobicContact CG-CD1 3.97Å; L77-I81 PolarHBondContact O-N 3.44Å; I81-N83 VanDerWaalsContact C-N 3.32Å; I81-N83 PolarHBondContact O-N 3.49Å; I81-D84 PolarHBondContact O-N 3.12Å; I81-I85 HydrophobicContact CG2-CD1 4.23Å; I81-I85 WeakPolarHBondContact O-CG1 3.48Å; I81-I85 PolarHBondContact O-N 3.46Å; I81-I85 VanDerWaalsContact O-N 3.12Å; I81-E118 HydrophobicContact CG1-CG 4.39Å; I81-F121 HydrophobicContact CG2-CD1 3.81Å; I81-F121 HydrophobicContact CG2-CD2 4.47Å; I81-F121 HydrophobicContact CG2-CE1 3.81Å; I81-F121 HydrophobicContact CG2-CE2 4.47Å; I81-F121 HydrophobicContact CG2-CG 4.16Å; I81-F121 HydrophobicContact CG2-CZ 4.16Å |
| 82 | R | 90.9 | Very high | 80.1 | Confident | 29 Ų | 29 | 53.6 Ų | 53.6 | 11% | 0.109 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.7 | -46.3 | 174.4 | 179.4 | -165.7 | 63.9 | -171.7 | 0.3 | 111.5 | F21 I22 V25 N26 D29 L78 S80 D84 I85 E86 | F21-R82 HydrophobicContact CE1-CB 4.11Å; I22-R82 HydrophobicContact CG2-CG 4.41Å; V25-R82 HydrophobicContact CB-CB 4.32Å; V25-R82 HydrophobicContact CB-CG 4.49Å; V25-R82 HydrophobicContact CG1-CB 3.88Å; V25-R82 HydrophobicContact CG1-CG 4.26Å; N26-R82 WeakPolarHBondContact OD1-CD 3.28Å; N26-R82 PolarHBondContact OD1-NH1 3.39Å; D29-R82 IonicContact OD2-CZ 2.92Å; D29-R82 IonicContact OD2-NH1 3.31Å; D29-R82 PolarHBondContact OD2-NH1 3.28Å; D29-R82 IonicContact OD2-NH2 3.26Å; D29-R82 PolarHBondContact OD2-NH2 2.92Å; L78-R82 WeakPolarHBondContact O-CB 3.33Å; L78-R82 PolarHBondContact O-N 3.17Å; S80-R82 VanDerWaalsContact C-N 3.34Å; S80-R82 PolarHBondContact O-N 2.93Å; R82-D84 VanDerWaalsContact C-N 3.33Å; R82-D84 PolarHBondContact O-N 3.01Å; R82-I85 WeakPolarHBondContact O-CB 3.36Å; R82-I85 PolarHBondContact O-N 2.9Å; R82-I85 VanDerWaalsContact O-N 3.17Å; R82-E86 HydrophobicContact CG-CG 4.47Å; R82-E86 PolarHBondContact O-N 3.25Å |
| 83 | N | 87.5 | Confident | 78.2 | Confident | 37 Ų | 37 | 56.2 Ų | 56.2 | 20% | 0.198 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.1 | -41.8 | -179.3 | -176.5 | 79.4 | 0 | 0 | 0 | 111.6 | K79 S80 I81 I85 E86 W87 | K79-N83 WeakPolarHBondContact O-CB 3.32Å; K79-N83 PolarHBondContact O-N 2.95Å; S80-N83 WeakPolarHBondContact O-CB 3.37Å; S80-N83 PolarHBondContact O-N 3.44Å; I81-N83 VanDerWaalsContact C-N 3.32Å; I81-N83 PolarHBondContact O-N 3.49Å; N83-I85 PolarHBondContact O-N 3.01Å; N83-E86 PolarHBondContact O-N 2.93Å; N83-W87 WeakPolarHBondContact O-CB 3.47Å; N83-W87 PolarHBondContact O-N 3.34Å |
| 84 | D | 86.2 | Confident | 76.2 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.6 | -32.4 | 175.6 | -85.5 | 15.6 | 0 | 0 | 0 | 112.6 | S80 I81 R82 G88 H122 | S80-D84 PolarHBondContact O-N 3.35Å; I81-D84 PolarHBondContact O-N 3.12Å; R82-D84 VanDerWaalsContact C-N 3.33Å; R82-D84 PolarHBondContact O-N 3.01Å; D84-G88 CarbonylContact O-C 3.32Å; D84-G88 VanDerWaalsContact O-C 3.32Å; D84-G88 WeakPolarHBondContact O-CA 3.38Å; D84-G88 PolarHBondContact O-N 2.99Å; D84-H122 IonicContact OD2-CE1 3.47Å; D84-H122 IonicContact OD2-ND1 2.79Å; D84-H122 PolarHBondContact OD2-ND1 3.18Å |
| 85 | I | 87.2 | Confident | 74.4 | Confident | 30 Ų | 30 | 63 Ų | 63 | 15% | 0.154 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -73.7 | -49.8 | 175 | -66.6 | 171.5 | 0 | 0 | 0 | 111.8 | M18 F21 I22 I81 R82 N83 F121 | M18-I85 HydrophobicContact CB-CG2 4.47Å; M18-I85 HydrophobicContact CE-CB 4.07Å; M18-I85 HydrophobicContact CE-CD1 4.03Å; M18-I85 HydrophobicContact CE-CG1 3.61Å; M18-I85 HydrophobicContact CE-CG2 3.5Å; F21-I85 HydrophobicContact CD1-CD1 3.57Å; F21-I85 HydrophobicContact CE1-CD1 3.76Å; I22-I85 HydrophobicContact CD1-CG2 3.54Å; I22-I85 HydrophobicContact CG1-CG2 4.03Å; I81-I85 HydrophobicContact CG2-CD1 4.23Å; I81-I85 WeakPolarHBondContact O-CG1 3.48Å; I81-I85 PolarHBondContact O-N 3.46Å; I81-I85 VanDerWaalsContact O-N 3.12Å; R82-I85 WeakPolarHBondContact O-CB 3.36Å; R82-I85 PolarHBondContact O-N 2.9Å; R82-I85 VanDerWaalsContact O-N 3.17Å; N83-I85 PolarHBondContact O-N 3.01Å; I85-F121 HydrophobicContact CD1-CE1 4.11Å; I85-F121 HydrophobicContact CD1-CE2 4.48Å; I85-F121 HydrophobicContact CD1-CZ 3.6Å; I85-F121 HydrophobicContact CG1-CE1 3.68Å; I85-F121 HydrophobicContact CG1-CZ 3.51Å |
| 86 | E | 81 | Confident | 72.7 | Confident | 89 Ų | 89 | 69.7 Ų | 69.7 | 42% | 0.416 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.8 | -39.9 | -174.2 | -75.9 | -176.9 | 167.9 | 0 | 0 | 112.3 | I22 R82 N83 | I22-E86 HydrophobicContact CD1-CG 4.39Å; I22-E86 WeakPolarHBondContact CG2-OE1 3.33Å; R82-E86 HydrophobicContact CG-CG 4.47Å; R82-E86 PolarHBondContact O-N 3.25Å; N83-E86 PolarHBondContact O-N 2.93Å |
| 87 | W | 75.3 | Confident | 70.6 | Confident | 161 Ų | 161 | 75.5 Ų | 75.5 | 61% | 0.61 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -108.5 | -5.9 | -172 | -64.6 | 104.3 | 0 | 0 | 0 | 113.9 | N83 | N83-W87 WeakPolarHBondContact O-CB 3.47Å; N83-W87 PolarHBondContact O-N 3.34Å |
| 88 | G | 70 | Confident | 68.3 | Low | 27 Ų | 27 | 83.6 Ų | 83.6 | 28% | 0.278 | 40% | 0.396 | S | S | . | . | trans | 74.6 | 154.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D84 L90 Q91 | D84-G88 CarbonylContact O-C 3.32Å; D84-G88 VanDerWaalsContact O-C 3.32Å; D84-G88 WeakPolarHBondContact O-CA 3.38Å; D84-G88 PolarHBondContact O-N 2.99Å; G88-L90 PolarHBondContact O-N 3.04Å; G88-Q91 PolarHBondContact O-N 2.89Å | ||
| 89 | V | 63.3 | Low | 66.2 | Low | 28 Ų | 28 | 91.2 Ų | 91.2 | 17% | 0.17 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -53.4 | -19.9 | 178.7 | 166.5 | 0 | 0 | 0 | 0 | 114 | Q91 A92 H122 L125 T126 | V89-Q91 PolarHBondContact O-N 3.26Å; V89-Q91 VanDerWaalsContact O-N 3.11Å; V89-A92 PolarHBondContact O-N 2.77Å; V89-H122 WeakPolarHBondContact CG1-CE1 3.49Å; V89-H122 VanDerWaalsContact CG1-NE2 3.28Å; V89-H122 WeakPolarHBondContact CG1-NE2 3.46Å; V89-L125 HydrophobicContact CG2-CB 4.09Å; V89-L125 HydrophobicContact CG2-CD2 3.72Å; V89-L125 HydrophobicContact CG2-CG 3.92Å; V89-T126 WeakPolarHBondContact CG1-OG1 3.4Å |
| 90 | L | 54.3 | Low | 63.9 | Low | 153 Ų | 153 | 97.6 Ų | 97.6 | 80% | 0.801 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -65 | -15.8 | -175.7 | -67.7 | 171.7 | 0 | 0 | 0 | 114.7 | G88 | G88-L90 PolarHBondContact O-N 3.04Š|
| 91 | Q | 51 | Low | 61.6 | Low | 88 Ų | 88 | 99.1 Ų | 99.1 | 41% | 0.411 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -94.2 | -11.1 | 176.4 | -84 | -173.2 | 65.9 | 0 | 0 | 114.8 | G88 V89 D93 | G88-Q91 PolarHBondContact O-N 2.89Å; V89-Q91 PolarHBondContact O-N 3.26Å; V89-Q91 VanDerWaalsContact O-N 3.11Å; Q91-D93 VanDerWaalsContact C-N 3.32Å; Q91-D93 PolarHBondContact O-N 2.96Å |
| 92 | A | 48.4 | Very low | 59.6 | Low | 16 Ų | 16 | 104.2 Ų | 104.2 | 13% | 0.132 | 51% | 0.514 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -27.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V89 R96 | V89-A92 PolarHBondContact O-N 2.77Å; A92-R96 PolarHBondContact O-NE 3.39Å |
| 93 | D | 46.4 | Very low | 57.4 | Low | 117 Ų | 117 | 107.4 Ų | 107.4 | 63% | 0.626 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -25.9 | -178.8 | -101.9 | -14.6 | 0 | 0 | 0 | 114.3 | Q91 R96 | Q91-D93 VanDerWaalsContact C-N 3.32Å; Q91-D93 PolarHBondContact O-N 2.96Å; D93-R96 IonicContact OD1-CZ 3.39Å; D93-R96 IonicContact OD1-NE 3.66Å; D93-R96 PolarHBondContact OD1-NE 3.31Å; D93-R96 IonicContact OD1-NH2 3.01Å; D93-R96 PolarHBondContact OD1-NH2 2.7Å |
| 94 | D | 44.3 | Very low | 55.3 | Low | 140 Ų | 140 | 110.7 Ų | 110.7 | 75% | 0.749 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -79.4 | -23.7 | -178.8 | -121.1 | -9 | 0 | 0 | 0 | 112.6 | R96 | D94-R96 VanDerWaalsContact C-N 3.35Š|
| 95 | R | 49 | Very low | 53.3 | Low | 176 Ų | 176 | 118.6 Ų | 118.6 | 66% | 0.664 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -81.9 | -9.8 | 178.6 | -73.9 | -173.4 | 160.5 | 179.3 | -1.3 | 114.5 | ||
| 96 | R | 52.3 | Low | 51.2 | Low | 155 Ų | 155 | 124.4 Ų | 124.4 | 59% | 0.585 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -85.1 | -8.3 | 179.5 | -65.8 | -169.3 | -94.9 | -120.5 | 4.3 | 113.8 | A92 D93 D94 | A92-R96 PolarHBondContact O-NE 3.39Å; D93-R96 IonicContact OD1-CZ 3.39Å; D93-R96 IonicContact OD1-NE 3.66Å; D93-R96 PolarHBondContact OD1-NE 3.31Å; D93-R96 IonicContact OD1-NH2 3.01Å; D93-R96 PolarHBondContact OD1-NH2 2.7Å; D94-R96 VanDerWaalsContact C-N 3.35Å |
| 97 | K | 46 | Very low | 49.6 | Very low | 189 Ų | 189 | 126.8 Ų | 126.8 | 82% | 0.822 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -96 | -9.8 | -178.7 | -105.3 | -173.1 | 175.5 | -177.6 | 0 | 116.2 | ||
| 98 | E | 42.5 | Very low | 47.9 | Very low | 182 Ų | 182 | 124.2 Ų | 124.2 | 85% | 0.85 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -116 | 17 | -174.3 | -146.4 | -175.6 | 176.3 | 0 | 0 | 114.7 | ||
| 99 | K | 45.9 | Very low | 46.6 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 80% | 0.8 | 69% | 0.69 | S | S | * | * | trans | -127.4 | 21.2 | 174.4 | -69.8 | -164.5 | 175.9 | -173.6 | 0 | 114.9 | G101 | K99-G101 PolarHBondContact O-N 3.21Š| ||
| 100 | M | 43 | Very low | 45.7 | Very low | 190 Ų | 190 | 138.7 Ų | 138.7 | 94% | 0.936 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 47.1 | 171.7 | -162.3 | 75.5 | 152.1 | 0 | 0 | 111.4 | ||
| 101 | G | 40.8 | Very low | 45.3 | Very low | 68 Ų | 68 | 139.7 Ų | 139.7 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.4 | -24.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | K99 | K99-G101 PolarHBondContact O-N 3.21Š|
| 102 | V | 46 | Very low | 45.5 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 76% | 0.758 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -145.9 | 128.4 | -178.6 | -163.6 | 0 | 0 | 0 | 0 | 107.9 | ||
| 103 | T | 44.7 | Very low | 45.9 | Very low | 96 Ų | 96 | 142.5 Ų | 142.5 | 59% | 0.589 | 73% | 0.732 | S | S | * | * | trans | 81.5 | 46.3 | 175.8 | 74.8 | 0 | 0 | 0 | 0 | 119.3 | L105 I107 | T103-L105 VanDerWaalsContact C-N 3.26Å; T103-L105 PolarHBondContact O-N 2.96Å; T103-I107 WeakPolarHBondContact O-CD1 3.31Å; T103-I107 WeakPolarHBondContact OG1-CD1 3.39Å | ||
| 104 | A | 43.9 | Very low | 46.7 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 88% | 0.876 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 9.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 105 | L | 45 | Very low | 47.7 | Very low | 171 Ų | 171 | 134.6 Ų | 134.6 | 90% | 0.895 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.8 | -1.6 | -173.8 | -79.1 | 168 | 0 | 0 | 0 | 115.4 | T103 | T103-L105 VanDerWaalsContact C-N 3.26Å; T103-L105 PolarHBondContact O-N 2.96Å |
| 106 | D | 41.6 | Very low | 49.2 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 81% | 0.807 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -135.7 | 2.8 | -176.1 | -140.9 | 14.6 | 0 | 0 | 0 | 115 | ||
| 107 | I | 47.9 | Very low | 50.6 | Low | 139 Ų | 139 | 127.1 Ų | 127.1 | 71% | 0.713 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -107.7 | 31.3 | -175.7 | -48.7 | 167.7 | 0 | 0 | 0 | 111.1 | T103 | T103-I107 WeakPolarHBondContact O-CD1 3.31Å; T103-I107 WeakPolarHBondContact OG1-CD1 3.39Å |
| 108 | S | 39.6 | Very low | 52.3 | Low | 107 Ų | 107 | 120.8 Ų | 120.8 | 75% | 0.748 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -115.2 | 17.9 | -176.2 | 77.4 | 0 | 0 | 0 | 0 | 114 | ||
| 109 | R | 42.3 | Very low | 54.3 | Low | 229 Ų | 229 | 117.4 Ų | 117.4 | 86% | 0.864 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -140.4 | 9.3 | -168.8 | -106.3 | -176.4 | 170.3 | 170.2 | -3.2 | 118.7 | ||
| 110 | I | 44.2 | Very low | 56.3 | Low | 131 Ų | 131 | 113.7 Ų | 113.7 | 67% | 0.672 | 62% | 0.616 | S | S | * | * | trans | -135.1 | 83.5 | 171.3 | -50 | 178.2 | 0 | 0 | 0 | 106.7 | S112 | I110-S112 PolarHBondContact O-N 3.01Å; I110-S112 VanDerWaalsContact O-N 3.13Å | ||
| 111 | E | 46.7 | Very low | 58.3 | Low | 173 Ų | 173 | 107.4 Ų | 107.4 | 81% | 0.808 | 58% | 0.583 | S | S | * | * | trans | -72.1 | 88.7 | 152.9 | -67.1 | -175.8 | 150.1 | 0 | 0 | 104.3 | ||||
| 112 | S | 55 | Low | 60.5 | Low | 26 Ų | 26 | 106.1 Ų | 106.1 | 18% | 0.182 | 56% | 0.559 | C | S | . | * | trans | -77.8 | 149 | 171 | 64.7 | 0 | 0 | 0 | 0 | 108.4 | I110 D114 D115 | I110-S112 PolarHBondContact O-N 3.01Å; I110-S112 VanDerWaalsContact O-N 3.13Å; S112-D114 PolarHBondContact O-N 2.81Å; S112-D114 WeakPolarHBondContact OG-CB 3.43Å; S112-D114 PolarHBondContact OG-OD2 3.48Å; S112-D115 WeakPolarHBondContact O-CB 3.29Å; S112-D115 PolarHBondContact O-N 2.85Å | ||
| 113 | D | 57.4 | Low | 62.5 | Low | 137 Ų | 137 | 108.4 Ų | 108.4 | 73% | 0.733 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -53.9 | -19.9 | 176.1 | -69.6 | -19.3 | 0 | 0 | 0 | 112.4 | D116 L117 | D113-D116 WeakPolarHBondContact O-CB 3.39Å; D113-D116 PolarHBondContact O-N 3.45Å; D113-L117 PolarHBondContact O-N 2.89Å |
| 114 | D | 63.1 | Low | 64.6 | Low | 25 Ų | 25 | 108.7 Ų | 108.7 | 13% | 0.134 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -62.8 | -41 | 172.6 | -62.4 | -42.7 | 0 | 0 | 0 | 113.7 | L77 S112 D116 L117 E118 | L77-D114 HydrophobicContact CD2-CB 3.71Å; S112-D114 PolarHBondContact O-N 2.81Å; S112-D114 WeakPolarHBondContact OG-CB 3.43Å; S112-D114 PolarHBondContact OG-OD2 3.48Å; D114-D116 PolarHBondContact O-N 3.4Å; D114-L117 WeakPolarHBondContact O-CB 3.35Å; D114-L117 PolarHBondContact O-N 3.42Å; D114-E118 PolarHBondContact O-N 3.18Å |
| 115 | D | 64.4 | Low | 66.8 | Low | 66 Ų | 66 | 105.2 Ų | 105.2 | 35% | 0.353 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.2 | -30.7 | 176.4 | -77.3 | -19.9 | 0 | 0 | 0 | 110.7 | S112 K119 | S112-D115 WeakPolarHBondContact O-CB 3.29Å; S112-D115 PolarHBondContact O-N 2.85Å; D115-K119 WeakPolarHBondContact O-CD 3.28Å; D115-K119 WeakPolarHBondContact O-CE 3.41Å; D115-K119 VanDerWaalsContact O-CG 3.24Å; D115-K119 WeakPolarHBondContact O-CG 3.42Å; D115-K119 PolarHBondContact O-N 3.41Å |
| 116 | D | 80.3 | Confident | 68.8 | Low | 87 Ų | 87 | 99.5 Ų | 99.5 | 47% | 0.465 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -75 | -33.5 | 178.1 | -77.7 | -2.4 | 0 | 0 | 0 | 112 | D113 D114 K119 Q120 | D113-D116 WeakPolarHBondContact O-CB 3.39Å; D113-D116 PolarHBondContact O-N 3.45Å; D114-D116 PolarHBondContact O-N 3.4Å; D116-K119 PolarHBondContact O-N 3.38Å; D116-K119 IonicContact OD1-NZ 2.7Å; D116-K119 PolarHBondContact OD1-NZ 2.98Å; D116-Q120 WeakPolarHBondContact O-CB 3.22Å; D116-Q120 PolarHBondContact O-N 3.37Å |
| 117 | L | 81.7 | Confident | 71.1 | Confident | 88 Ų | 88 | 94 Ų | 94 | 46% | 0.461 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 171.2 | -68.8 | 175.8 | 0 | 0 | 0 | 111.8 | D113 D114 Q120 F121 | D113-L117 PolarHBondContact O-N 2.89Å; D114-L117 WeakPolarHBondContact O-CB 3.35Å; D114-L117 PolarHBondContact O-N 3.42Å; L117-Q120 PolarHBondContact O-N 3.07Å; L117-F121 VanDerWaalsContact O-CB 3.31Å; L117-F121 WeakPolarHBondContact O-CB 3.35Å; L117-F121 PolarHBondContact O-N 3.3Å |
| 118 | E | 81.4 | Confident | 73.1 | Confident | 56 Ų | 56 | 90.7 Ų | 90.7 | 26% | 0.262 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.6 | -52.5 | 176.1 | -161.2 | 177.4 | 179.5 | 0 | 0 | 111.3 | L77 S80 I81 D114 Q120 F121 H122 | L77-E118 HydrophobicContact CD1-CB 3.51Å; L77-E118 HydrophobicContact CD1-CG 3.9Å; S80-E118 VanDerWaalsContact CB-OE1 3.28Å; S80-E118 WeakPolarHBondContact CB-OE1 3.15Å; S80-E118 PolarHBondContact OG-OE1 3.37Å; I81-E118 HydrophobicContact CG1-CG 4.39Å; D114-E118 PolarHBondContact O-N 3.18Å; E118-Q120 VanDerWaalsContact C-N 3.31Å; E118-Q120 PolarHBondContact O-N 3.39Å; E118-F121 PolarHBondContact O-N 2.87Å; E118-H122 VanDerWaalsContact O-CB 3.32Å; E118-H122 WeakPolarHBondContact O-CB 3.36Å; E118-H122 PolarHBondContact O-N 3.17Å |
| 119 | K | 84.6 | Confident | 75.4 | Confident | 111 Ų | 111 | 90.7 Ų | 90.7 | 48% | 0.483 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.6 | -43.5 | -179.9 | -68.2 | 167.2 | -154.9 | 154.7 | 0 | 111.1 | D115 D116 H122 Y123 | D115-K119 WeakPolarHBondContact O-CD 3.28Å; D115-K119 WeakPolarHBondContact O-CE 3.41Å; D115-K119 VanDerWaalsContact O-CG 3.24Å; D115-K119 WeakPolarHBondContact O-CG 3.42Å; D115-K119 PolarHBondContact O-N 3.41Å; D116-K119 PolarHBondContact O-N 3.38Å; D116-K119 IonicContact OD1-NZ 2.7Å; D116-K119 PolarHBondContact OD1-NZ 2.98Å; K119-H122 PolarHBondContact O-N 3.24Å; K119-Y123 WeakPolarHBondContact O-CB 3.26Å; K119-Y123 PolarHBondContact O-N 2.9Å |
| 120 | Q | 87.7 | Confident | 77.7 | Confident | 106 Ų | 106 | 82.6 Ų | 82.6 | 50% | 0.495 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 179.3 | -176.6 | 178.7 | 29.7 | 0 | 0 | 111.2 | D116 L117 E118 H122 Y123 H124 | D116-Q120 WeakPolarHBondContact O-CB 3.22Å; D116-Q120 PolarHBondContact O-N 3.37Å; L117-Q120 PolarHBondContact O-N 3.07Å; E118-Q120 VanDerWaalsContact C-N 3.31Å; E118-Q120 PolarHBondContact O-N 3.39Å; Q120-H122 VanDerWaalsContact C-N 3.33Å; Q120-H122 PolarHBondContact O-N 3.02Å; Q120-Y123 PolarHBondContact O-N 3.48Å; Q120-H124 WeakPolarHBondContact CG-NE2 3.46Å; Q120-H124 PolarHBondContact O-CD2 2.92Å; Q120-H124 PolarHBondContact O-N 3.38Å |
| 121 | F | 86.3 | Confident | 80.1 | Confident | 58 Ų | 58 | 80.2 Ų | 80.2 | 25% | 0.254 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 177.6 | -174.4 | -96.1 | 0 | 0 | 0 | 111.2 | M18 I81 I85 L117 E118 Y123 H124 L125 | M18-F121 HydrophobicContact CE-CZ 4.41Å; I81-F121 HydrophobicContact CG2-CD1 3.81Å; I81-F121 HydrophobicContact CG2-CD2 4.47Å; I81-F121 HydrophobicContact CG2-CE1 3.81Å; I81-F121 HydrophobicContact CG2-CE2 4.47Å; I81-F121 HydrophobicContact CG2-CG 4.16Å; I81-F121 HydrophobicContact CG2-CZ 4.16Å; I85-F121 HydrophobicContact CD1-CE1 4.11Å; I85-F121 HydrophobicContact CD1-CE2 4.48Å; I85-F121 HydrophobicContact CD1-CZ 3.6Å; I85-F121 HydrophobicContact CG1-CE1 3.68Å; I85-F121 HydrophobicContact CG1-CZ 3.51Å; L117-F121 VanDerWaalsContact O-CB 3.31Å; L117-F121 WeakPolarHBondContact O-CB 3.35Å; L117-F121 PolarHBondContact O-N 3.3Å; E118-F121 PolarHBondContact O-N 2.87Å; F121-Y123 PolarHBondContact O-N 3.48Å; F121-H124 PolarHBondContact O-N 2.92Å; F121-L125 HydrophobicContact CE1-CB 4.46Å; F121-L125 HydrophobicContact CE1-CD2 3.78Å; F121-L125 HydrophobicContact CZ-CD2 4.33Å; F121-L125 WeakPolarHBondContact O-CB 3.24Å; F121-L125 PolarHBondContact O-N 3.18Å |
| 122 | H | 85.8 | Confident | 82.3 | Confident | 41 Ų | 41 | 76.2 Ų | 76.2 | 19% | 0.19 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 178.7 | -168.1 | 87.7 | 0 | 0 | 0 | 112.4 | D84 V89 E118 K119 Q120 L125 T126 | D84-H122 IonicContact OD2-CE1 3.47Å; D84-H122 IonicContact OD2-ND1 2.79Å; D84-H122 PolarHBondContact OD2-ND1 3.18Å; V89-H122 WeakPolarHBondContact CG1-CE1 3.49Å; V89-H122 VanDerWaalsContact CG1-NE2 3.28Å; V89-H122 WeakPolarHBondContact CG1-NE2 3.46Å; E118-H122 VanDerWaalsContact O-CB 3.32Å; E118-H122 WeakPolarHBondContact O-CB 3.36Å; E118-H122 PolarHBondContact O-N 3.17Å; K119-H122 PolarHBondContact O-N 3.24Å; Q120-H122 VanDerWaalsContact C-N 3.33Å; Q120-H122 PolarHBondContact O-N 3.02Å; H122-L125 PolarHBondContact O-N 3.3Å; H122-T126 WeakPolarHBondContact O-CB 3.45Å; H122-T126 PolarHBondContact O-N 3.27Å; H122-T126 PolarHBondContact O-OG1 3.18Å |
| 123 | Y | 87.9 | Confident | 84.1 | Confident | 173 Ų | 173 | 77.1 Ų | 77.1 | 68% | 0.678 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59.4 | -48.6 | 175.7 | 176.5 | -99.1 | 0 | 0 | 0 | 111.5 | K119 Q120 F121 T126 G127 | K119-Y123 WeakPolarHBondContact O-CB 3.26Å; K119-Y123 PolarHBondContact O-N 2.9Å; Q120-Y123 PolarHBondContact O-N 3.48Å; F121-Y123 PolarHBondContact O-N 3.48Å; Y123-T126 PolarHBondContact O-N 3.22Å; Y123-G127 PolarHBondContact O-N 3.12Å |
| 124 | H | 90.8 | Very high | 85.9 | Confident | 102 Ų | 102 | 77 Ų | 77 | 47% | 0.472 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | -179.6 | -69.9 | -44.9 | 0 | 0 | 0 | 112.8 | Q120 F121 T126 G127 L128 | Q120-H124 WeakPolarHBondContact CG-NE2 3.46Å; Q120-H124 PolarHBondContact O-CD2 2.92Å; Q120-H124 PolarHBondContact O-N 3.38Å; F121-H124 PolarHBondContact O-N 2.92Å; H124-T126 PolarHBondContact O-N 3.21Å; H124-G127 PolarHBondContact O-N 3.19Å; H124-L128 WeakPolarHBondContact O-CB 3.49Å; H124-L128 PolarHBondContact O-N 2.94Å |
| 125 | L | 88.3 | Confident | 87.5 | Confident | 32 Ų | 32 | 80.5 Ų | 80.5 | 17% | 0.168 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 179.5 | -171.7 | 60.2 | 0 | 0 | 0 | 111.2 | M18 V89 F121 H122 L128 H129 | M18-L125 HydrophobicContact CE-CD1 4.16Å; V89-L125 HydrophobicContact CG2-CB 4.09Å; V89-L125 HydrophobicContact CG2-CD2 3.72Å; V89-L125 HydrophobicContact CG2-CG 3.92Å; F121-L125 HydrophobicContact CE1-CB 4.46Å; F121-L125 HydrophobicContact CE1-CD2 3.78Å; F121-L125 HydrophobicContact CZ-CD2 4.33Å; F121-L125 WeakPolarHBondContact O-CB 3.24Å; F121-L125 PolarHBondContact O-N 3.18Å; H122-L125 PolarHBondContact O-N 3.3Å; L125-L128 PolarHBondContact O-N 3.04Å; L125-H129 WeakPolarHBondContact O-CB 3.2Å; L125-H129 PolarHBondContact O-N 3.4Å |
| 126 | T | 87.5 | Confident | 88.9 | Confident | 52 Ų | 52 | 81.2 Ų | 81.2 | 32% | 0.319 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 174.8 | -56.7 | 0 | 0 | 0 | 0 | 112 | V89 H122 Y123 H124 H129 T130 | V89-T126 WeakPolarHBondContact CG1-OG1 3.4Å; H122-T126 WeakPolarHBondContact O-CB 3.45Å; H122-T126 PolarHBondContact O-N 3.27Å; H122-T126 PolarHBondContact O-OG1 3.18Å; Y123-T126 PolarHBondContact O-N 3.22Å; H124-T126 PolarHBondContact O-N 3.21Å; T126-H129 PolarHBondContact O-N 3.49Å; T126-T130 WeakPolarHBondContact O-CB 3.42Å; T126-T130 PolarHBondContact O-N 3.33Å; T126-T130 PolarHBondContact O-OG1 2.93Å |
| 127 | G | 89.7 | Confident | 89.6 | Confident | 34 Ų | 34 | 86 Ų | 86 | 35% | 0.351 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y123 H124 T130 V131 | Y123-G127 PolarHBondContact O-N 3.12Å; H124-G127 PolarHBondContact O-N 3.19Å; G127-T130 PolarHBondContact O-N 2.94Å; G127-V131 WeakPolarHBondContact O-CG2 3.47Å; G127-V131 PolarHBondContact O-N 3.02Å |
| 128 | L | 90.9 | Very high | 90.3 | Very high | 71 Ų | 71 | 89 Ų | 89 | 37% | 0.372 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 176.9 | -177.8 | 63 | 0 | 0 | 0 | 111.4 | L14 H124 L125 T130 V131 L132 | L14-L128 HydrophobicContact CD2-CD2 3.74Å; H124-L128 WeakPolarHBondContact O-CB 3.49Å; H124-L128 PolarHBondContact O-N 2.94Å; L125-L128 PolarHBondContact O-N 3.04Å; L128-T130 VanDerWaalsContact C-N 3.28Å; L128-T130 PolarHBondContact O-N 3.25Å; L128-V131 PolarHBondContact O-N 2.84Å; L128-L132 HydrophobicContact CD1-CD1 4.07Å; L128-L132 HydrophobicContact CD1-CG 4.12Å; L128-L132 HydrophobicContact CG-CD1 3.9Å; L128-L132 HydrophobicContact CG-CG 4.34Å; L128-L132 WeakPolarHBondContact O-CB 3.25Å; L128-L132 WeakPolarHBondContact O-CG 3.35Å; L128-L132 PolarHBondContact O-N 3.06Å |
| 129 | H | 87.2 | Confident | 91.1 | Very high | 107 Ų | 107 | 88.9 Ų | 88.9 | 50% | 0.495 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -57.4 | -42 | 177.5 | -178.5 | -96.1 | 0 | 0 | 0 | 112 | L125 T126 S133 | L125-H129 WeakPolarHBondContact O-CB 3.2Å; L125-H129 PolarHBondContact O-N 3.4Å; T126-H129 PolarHBondContact O-N 3.49Å; H129-S133 VanDerWaalsContact O-CB 3.26Å; H129-S133 WeakPolarHBondContact O-CB 3.34Å; H129-S133 PolarHBondContact O-N 2.88Å; H129-S133 PolarHBondContact O-OG 2.98Å |
| 130 | T | 90.4 | Very high | 91.5 | Very high | 59 Ų | 59 | 87.9 Ų | 87.9 | 36% | 0.362 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 177.9 | -60.9 | 0 | 0 | 0 | 0 | 111.9 | T126 G127 L128 S133 K134 | T126-T130 WeakPolarHBondContact O-CB 3.42Å; T126-T130 PolarHBondContact O-N 3.33Å; T126-T130 PolarHBondContact O-OG1 2.93Å; G127-T130 PolarHBondContact O-N 2.94Å; L128-T130 VanDerWaalsContact C-N 3.28Å; L128-T130 PolarHBondContact O-N 3.25Å; T130-S133 PolarHBondContact O-N 3.29Å; T130-K134 HydrophobicContact CG2-CD 4.5Å; T130-K134 WeakPolarHBondContact O-CG 3.37Å; T130-K134 PolarHBondContact O-N 2.88Å; T130-K134 VanDerWaalsContact O-N 3.07Å |
| 131 | V | 95.4 | Very high | 91.9 | Very high | 80 Ų | 80 | 86.9 Ų | 86.9 | 49% | 0.485 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65 | -48.6 | 179.4 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | G127 L128 S133 K134 L135 | G127-V131 WeakPolarHBondContact O-CG2 3.47Å; G127-V131 PolarHBondContact O-N 3.02Å; L128-V131 PolarHBondContact O-N 2.84Å; V131-S133 VanDerWaalsContact C-N 3.32Å; V131-S133 PolarHBondContact O-N 3.35Å; V131-K134 PolarHBondContact O-N 3.32Å; V131-L135 HydrophobicContact CG1-CD1 3.85Å; V131-L135 HydrophobicContact CG1-CG 4.34Å; V131-L135 WeakPolarHBondContact O-CG 3.31Å; V131-L135 PolarHBondContact O-N 2.9Å |
| 132 | L | 92.4 | Very high | 92.3 | Very high | 90 Ų | 90 | 90 Ų | 90 | 47% | 0.471 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 177.3 | -70.3 | 176 | 0 | 0 | 0 | 111.2 | L128 K134 L135 T136 | L128-L132 HydrophobicContact CD1-CD1 4.07Å; L128-L132 HydrophobicContact CD1-CG 4.12Å; L128-L132 HydrophobicContact CG-CD1 3.9Å; L128-L132 HydrophobicContact CG-CG 4.34Å; L128-L132 WeakPolarHBondContact O-CB 3.25Å; L128-L132 WeakPolarHBondContact O-CG 3.35Å; L128-L132 PolarHBondContact O-N 3.06Å; L132-K134 VanDerWaalsContact C-N 3.33Å; L132-K134 PolarHBondContact O-N 3.39Å; L132-L135 PolarHBondContact O-N 3.02Å; L132-T136 WeakPolarHBondContact O-CB 3.43Å; L132-T136 PolarHBondContact O-N 3.25Å; L132-T136 PolarHBondContact O-OG1 3.33Å |
| 133 | S | 92.3 | Very high | 92.7 | Very high | 44 Ų | 44 | 91.4 Ų | 91.4 | 31% | 0.308 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.5 | -44.2 | 176 | -67 | 0 | 0 | 0 | 0 | 112.6 | H129 T130 V131 R137 | H129-S133 VanDerWaalsContact O-CB 3.26Å; H129-S133 WeakPolarHBondContact O-CB 3.34Å; H129-S133 PolarHBondContact O-N 2.88Å; H129-S133 PolarHBondContact O-OG 2.98Å; T130-S133 PolarHBondContact O-N 3.29Å; V131-S133 VanDerWaalsContact C-N 3.32Å; V131-S133 PolarHBondContact O-N 3.35Å; S133-R137 WeakPolarHBondContact O-CG 3.39Å; S133-R137 PolarHBondContact O-N 3.36Å; S133-R137 VanDerWaalsContact O-N 3.1Å |
| 134 | K | 95.2 | Very high | 92.9 | Very high | 136 Ų | 136 | 87.6 Ų | 87.6 | 59% | 0.591 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.7 | -43.3 | 177.1 | -73.7 | 176.7 | -178.7 | 176.5 | 0 | 111.8 | T130 V131 L132 R137 K138 | T130-K134 HydrophobicContact CG2-CD 4.5Å; T130-K134 WeakPolarHBondContact O-CG 3.37Å; T130-K134 PolarHBondContact O-N 2.88Å; T130-K134 VanDerWaalsContact O-N 3.07Å; V131-K134 PolarHBondContact O-N 3.32Å; L132-K134 VanDerWaalsContact C-N 3.33Å; L132-K134 PolarHBondContact O-N 3.39Å; K134-R137 PolarHBondContact O-N 2.76Å; K134-K138 WeakPolarHBondContact O-CG 3.46Å; K134-K138 PolarHBondContact O-N 3.31Å; K134-K138 VanDerWaalsContact O-N 3.07Å |
| 135 | L | 96.5 | Very high | 92.9 | Very high | 98 Ų | 98 | 89.1 Ų | 89.1 | 51% | 0.513 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 178.9 | -70.3 | 174.2 | 0 | 0 | 0 | 111.6 | V131 L132 R137 K138 A139 | V131-L135 HydrophobicContact CG1-CD1 3.85Å; V131-L135 HydrophobicContact CG1-CG 4.34Å; V131-L135 WeakPolarHBondContact O-CG 3.31Å; V131-L135 PolarHBondContact O-N 2.9Å; L132-L135 PolarHBondContact O-N 3.02Å; L135-R137 VanDerWaalsContact C-N 3.33Å; L135-R137 PolarHBondContact O-N 2.97Å; L135-K138 PolarHBondContact O-N 3.33Å; L135-K138 VanDerWaalsContact O-N 3.16Å; L135-A139 WeakPolarHBondContact O-CB 3.33Å; L135-A139 PolarHBondContact O-N 2.92Å |
| 136 | T | 94.8 | Very high | 93.1 | Very high | 81 Ų | 81 | 94.1 Ų | 94.1 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.8 | -42.6 | 175.8 | -62.2 | 0 | 0 | 0 | 0 | 111.5 | L132 K138 A139 N140 | L132-T136 WeakPolarHBondContact O-CB 3.43Å; L132-T136 PolarHBondContact O-N 3.25Å; L132-T136 PolarHBondContact O-OG1 3.33Å; T136-K138 PolarHBondContact O-N 3.42Å; T136-A139 PolarHBondContact O-N 3.31Å; T136-N140 WeakPolarHBondContact O-CB 2.93Å; T136-N140 VanDerWaalsContact O-CG 3.24Å; T136-N140 PolarHBondContact O-N 3.09Å; T136-N140 PolarHBondContact O-ND2 2.99Å |
| 137 | R | 95.7 | Very high | 93.1 | Very high | 187 Ų | 187 | 96 Ų | 96 | 71% | 0.706 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60 | -47.1 | 173.8 | -73.1 | 177.7 | -174.7 | -166.4 | 2.6 | 111.9 | S133 K134 L135 A139 N140 T141 | S133-R137 WeakPolarHBondContact O-CG 3.39Å; S133-R137 PolarHBondContact O-N 3.36Å; S133-R137 VanDerWaalsContact O-N 3.1Å; K134-R137 PolarHBondContact O-N 2.76Å; L135-R137 VanDerWaalsContact C-N 3.33Å; L135-R137 PolarHBondContact O-N 2.97Å; R137-A139 PolarHBondContact O-N 2.99Å; R137-N140 PolarHBondContact O-N 3Å; R137-T141 PolarHBondContact O-N 2.99Å; R137-T141 PolarHBondContact O-OG1 2.84Å; R137-T141 VanDerWaalsContact O-OG1 3.05Å |
| 138 | K | 96.5 | Very high | 92.9 | Very high | 152 Ų | 152 | 99 Ų | 99 | 66% | 0.661 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.8 | -43.2 | 177.6 | -74.4 | -176 | 177.1 | -174.8 | 0 | 112.1 | K134 L135 T136 T141 L142 | K134-K138 WeakPolarHBondContact O-CG 3.46Å; K134-K138 PolarHBondContact O-N 3.31Å; K134-K138 VanDerWaalsContact O-N 3.07Å; L135-K138 PolarHBondContact O-N 3.33Å; L135-K138 VanDerWaalsContact O-N 3.16Å; T136-K138 PolarHBondContact O-N 3.42Å; K138-T141 PolarHBondContact O-N 3.17Å; K138-L142 WeakPolarHBondContact O-CB 3.43Å; K138-L142 PolarHBondContact O-N 3.13Å |
| 139 | A | 96.7 | Very high | 92.5 | Very high | 53 Ų | 53 | 101.1 Ų | 101.1 | 44% | 0.438 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.5 | -47.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L135 T136 R137 T141 L142 T143 | L135-A139 WeakPolarHBondContact O-CB 3.33Å; L135-A139 PolarHBondContact O-N 2.92Å; T136-A139 PolarHBondContact O-N 3.31Å; R137-A139 PolarHBondContact O-N 2.99Å; A139-T141 PolarHBondContact O-N 3.29Å; A139-L142 WeakPolarHBondContact O-CB 3.44Å; A139-L142 PolarHBondContact O-N 2.93Å; A139-L142 VanDerWaalsContact O-N 3.15Å; A139-T143 PolarHBondContact O-N 2.92Å; A139-T143 PolarHBondContact O-OG1 2.98Å |
| 140 | N | 94.6 | Very high | 92.1 | Very high | 90 Ų | 90 | 100.3 Ų | 100.3 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 176.5 | -69.6 | -20.7 | 0 | 0 | 0 | 112.2 | T136 R137 L142 T143 N144 | T136-N140 WeakPolarHBondContact O-CB 2.93Å; T136-N140 VanDerWaalsContact O-CG 3.24Å; T136-N140 PolarHBondContact O-N 3.09Å; T136-N140 PolarHBondContact O-ND2 2.99Å; R137-N140 PolarHBondContact O-N 3Å; N140-L142 VanDerWaalsContact C-N 3.33Å; N140-L142 PolarHBondContact O-N 2.94Å; N140-T143 PolarHBondContact O-N 3.47Å; N140-N144 WeakPolarHBondContact O-CB 3.31Å; N140-N144 PolarHBondContact O-N 3Å; N140-N144 PolarHBondContact O-ND2 3.46Å |
| 141 | T | 95.1 | Very high | 90.6 | Very high | 84 Ų | 84 | 99.4 Ų | 99.4 | 52% | 0.515 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 174.3 | -59 | 0 | 0 | 0 | 0 | 111.3 | R137 K138 A139 N144 R145 | R137-T141 PolarHBondContact O-N 2.99Å; R137-T141 PolarHBondContact O-OG1 2.84Å; R137-T141 VanDerWaalsContact O-OG1 3.05Å; K138-T141 PolarHBondContact O-N 3.17Å; A139-T141 PolarHBondContact O-N 3.29Å; T141-N144 PolarHBondContact O-N 3.03Å; T141-R145 HydrophobicContact CG2-CG 4.34Å; T141-R145 WeakPolarHBondContact O-CB 3.5Å; T141-R145 VanDerWaalsContact O-CG 3.28Å; T141-R145 WeakPolarHBondContact O-CG 3.49Å; T141-R145 PolarHBondContact O-N 3.41Å |
| 142 | L | 94.9 | Very high | 88.7 | Confident | 125 Ų | 125 | 101.9 Ų | 101.9 | 65% | 0.654 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.5 | -47.2 | 177.8 | -176.3 | 149.8 | 0 | 0 | 0 | 111.4 | K138 A139 N140 N144 R145 Y146 | K138-L142 WeakPolarHBondContact O-CB 3.43Å; K138-L142 PolarHBondContact O-N 3.13Å; A139-L142 WeakPolarHBondContact O-CB 3.44Å; A139-L142 PolarHBondContact O-N 2.93Å; A139-L142 VanDerWaalsContact O-N 3.15Å; N140-L142 VanDerWaalsContact C-N 3.33Å; N140-L142 PolarHBondContact O-N 2.94Å; L142-N144 VanDerWaalsContact C-N 3.32Å; L142-N144 PolarHBondContact O-N 3.47Å; L142-R145 PolarHBondContact O-N 3.44Å; L142-Y146 WeakPolarHBondContact O-CB 3.44Å; L142-Y146 PolarHBondContact O-N 3Å |
| 143 | T | 93.4 | Very high | 86.8 | Confident | 69 Ų | 69 | 108.5 Ų | 108.5 | 42% | 0.423 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.6 | -43.3 | 175.7 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | A139 N140 Y146 N147 | A139-T143 PolarHBondContact O-N 2.92Å; A139-T143 PolarHBondContact O-OG1 2.98Å; N140-T143 PolarHBondContact O-N 3.47Å; T143-Y146 PolarHBondContact O-N 3.08Å; T143-N147 WeakPolarHBondContact O-CB 3.47Å; T143-N147 VanDerWaalsContact O-CG 3.22Å; T143-N147 PolarHBondContact O-N 3.36Å; T143-N147 PolarHBondContact O-ND2 3.36Å |
| 144 | N | 92.3 | Very high | 84.7 | Confident | 94 Ų | 94 | 109.5 Ų | 109.5 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65 | -42.4 | 177.9 | -71.5 | -17.9 | 0 | 0 | 0 | 112.1 | N140 T141 L142 N147 Q148 | N140-N144 WeakPolarHBondContact O-CB 3.31Å; N140-N144 PolarHBondContact O-N 3Å; N140-N144 PolarHBondContact O-ND2 3.46Å; T141-N144 PolarHBondContact O-N 3.03Å; L142-N144 VanDerWaalsContact C-N 3.32Å; L142-N144 PolarHBondContact O-N 3.47Å; N144-N147 PolarHBondContact O-N 2.75Å; N144-Q148 VanDerWaalsContact O-CG 3.3Å; N144-Q148 WeakPolarHBondContact O-CG 3.38Å; N144-Q148 PolarHBondContact O-N 2.91Å |
| 145 | R | 91.4 | Very high | 82.7 | Confident | 133 Ų | 133 | 108.4 Ų | 108.4 | 50% | 0.502 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.5 | -43.8 | 176.6 | -75.4 | -68.2 | -60.7 | -168.7 | 1 | 111.8 | T141 L142 N147 Q148 E149 | T141-R145 HydrophobicContact CG2-CG 4.34Å; T141-R145 WeakPolarHBondContact O-CB 3.5Å; T141-R145 VanDerWaalsContact O-CG 3.28Å; T141-R145 WeakPolarHBondContact O-CG 3.49Å; T141-R145 PolarHBondContact O-N 3.41Å; L142-R145 PolarHBondContact O-N 3.44Å; R145-N147 PolarHBondContact O-N 3.09Å; R145-Q148 PolarHBondContact O-N 3.01Å; R145-E149 IonicContact CZ-OE1 3.63Å; R145-E149 IonicContact NE-OE1 3.65Å; R145-E149 IonicContact NH2-OE1 2.9Å; R145-E149 PolarHBondContact NH2-OE1 3.16Å; R145-E149 WeakPolarHBondContact O-CB 3.48Å; R145-E149 WeakPolarHBondContact O-CG 3.5Å; R145-E149 PolarHBondContact O-N 2.87Å |
| 146 | Y | 92.3 | Very high | 80.7 | Confident | 138 Ų | 138 | 106.4 Ų | 106.4 | 54% | 0.541 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.7 | -47.8 | 174 | 176.9 | -94.7 | 0 | 0 | 0 | 111.4 | L142 T143 Q148 E149 I150 | L142-Y146 WeakPolarHBondContact O-CB 3.44Å; L142-Y146 PolarHBondContact O-N 3Å; T143-Y146 PolarHBondContact O-N 3.08Å; Y146-Q148 VanDerWaalsContact C-N 3.29Å; Y146-Q148 PolarHBondContact O-N 2.93Å; Y146-E149 PolarHBondContact O-N 2.96Å; Y146-I150 HydrophobicContact CD1-CG1 4.42Å; Y146-I150 HydrophobicContact CD2-CD1 4.08Å; Y146-I150 HydrophobicContact CD2-CG1 3.97Å; Y146-I150 HydrophobicContact CE1-CD1 4.17Å; Y146-I150 HydrophobicContact CE1-CG1 4.15Å; Y146-I150 HydrophobicContact CE2-CD1 3.3Å; Y146-I150 HydrophobicContact CE2-CG1 3.69Å; Y146-I150 HydrophobicContact CG-CG1 4.34Å; Y146-I150 WeakPolarHBondContact O-CB 3.42Å; Y146-I150 WeakPolarHBondContact O-CG1 3.48Å; Y146-I150 PolarHBondContact O-N 2.9Å; Y146-I150 WeakPolarHBondContact OH-CD1 3.28Å |
| 147 | N | 88.1 | Confident | 78.1 | Confident | 90 Ų | 90 | 115 Ų | 115 | 48% | 0.481 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63 | -34.3 | 177.7 | -71.9 | -19.3 | 0 | 0 | 0 | 112.5 | T143 N144 R145 G151 | T143-N147 WeakPolarHBondContact O-CB 3.47Å; T143-N147 VanDerWaalsContact O-CG 3.22Å; T143-N147 PolarHBondContact O-N 3.36Å; T143-N147 PolarHBondContact O-ND2 3.36Å; N144-N147 PolarHBondContact O-N 2.75Å; R145-N147 PolarHBondContact O-N 3.09Å; N147-G151 WeakPolarHBondContact O-CA 3.39Å; N147-G151 PolarHBondContact O-N 3.06Å |
| 148 | Q | 85.4 | Confident | 77.3 | Confident | 98 Ų | 98 | 111.4 Ų | 111.4 | 46% | 0.458 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69 | -46.3 | 173.3 | -73.6 | 169.5 | 2.6 | 0 | 0 | 111.4 | N144 R145 Y146 I152 | N144-Q148 VanDerWaalsContact O-CG 3.3Å; N144-Q148 WeakPolarHBondContact O-CG 3.38Å; N144-Q148 PolarHBondContact O-N 2.91Å; R145-Q148 PolarHBondContact O-N 3.01Å; Y146-Q148 VanDerWaalsContact C-N 3.29Å; Y146-Q148 PolarHBondContact O-N 2.93Å; Q148-I152 HydrophobicContact CB-CD1 4.27Å; Q148-I152 WeakPolarHBondContact O-CB 3.22Å; Q148-I152 VanDerWaalsContact O-CD1 3.32Å; Q148-I152 WeakPolarHBondContact O-CD1 3.44Å; Q148-I152 WeakPolarHBondContact O-CG1 3.43Å; Q148-I152 PolarHBondContact O-N 2.82Å |
| 149 | E | 82.4 | Confident | 76.2 | Confident | 116 Ų | 116 | 109.3 Ų | 109.3 | 54% | 0.542 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.9 | -34.6 | -176.8 | -72.3 | 176 | -167.1 | 0 | 0 | 112.8 | R145 Y146 | R145-E149 IonicContact CZ-OE1 3.63Å; R145-E149 IonicContact NE-OE1 3.65Å; R145-E149 IonicContact NH2-OE1 2.9Å; R145-E149 PolarHBondContact NH2-OE1 3.16Å; R145-E149 WeakPolarHBondContact O-CB 3.48Å; R145-E149 WeakPolarHBondContact O-CG 3.5Å; R145-E149 PolarHBondContact O-N 2.87Å; Y146-E149 PolarHBondContact O-N 2.96Å |
| 150 | I | 77.9 | Confident | 75.1 | Confident | 90 Ų | 90 | 112.4 Ų | 112.4 | 46% | 0.462 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -89.1 | -38.6 | 177.9 | -56.6 | -128.2 | 0 | 0 | 0 | 111.3 | Y146 R153 G154 | Y146-I150 HydrophobicContact CD1-CG1 4.42Å; Y146-I150 HydrophobicContact CD2-CD1 4.08Å; Y146-I150 HydrophobicContact CD2-CG1 3.97Å; Y146-I150 HydrophobicContact CE1-CD1 4.17Å; Y146-I150 HydrophobicContact CE1-CG1 4.15Å; Y146-I150 HydrophobicContact CE2-CD1 3.3Å; Y146-I150 HydrophobicContact CE2-CG1 3.69Å; Y146-I150 HydrophobicContact CG-CG1 4.34Å; Y146-I150 WeakPolarHBondContact O-CB 3.42Å; Y146-I150 WeakPolarHBondContact O-CG1 3.48Å; Y146-I150 PolarHBondContact O-N 2.9Å; Y146-I150 WeakPolarHBondContact OH-CD1 3.28Å; I150-R153 PolarHBondContact O-N 2.8Å; I150-G154 PolarHBondContact O-N 2.89Å |
| 151 | G | 59.5 | Low | 74 | Confident | 39 Ų | 39 | 113.7 Ų | 113.7 | 40% | 0.402 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.5 | -31.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N147 | N147-G151 WeakPolarHBondContact O-CA 3.39Å; N147-G151 PolarHBondContact O-N 3.06Å |
| 152 | I | 55.1 | Low | 72.6 | Confident | 132 Ų | 132 | 115.6 Ų | 115.6 | 68% | 0.677 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -80.1 | -23.4 | 174.3 | -61.4 | 168.5 | 0 | 0 | 0 | 111.5 | Q148 | Q148-I152 HydrophobicContact CB-CD1 4.27Å; Q148-I152 WeakPolarHBondContact O-CB 3.22Å; Q148-I152 VanDerWaalsContact O-CD1 3.32Å; Q148-I152 WeakPolarHBondContact O-CD1 3.44Å; Q148-I152 WeakPolarHBondContact O-CG1 3.43Å; Q148-I152 PolarHBondContact O-N 2.82Å |
| 153 | R | 52.1 | Low | 71.2 | Confident | 229 Ų | 229 | 114.9 Ų | 114.9 | 86% | 0.864 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -87.8 | -15.2 | 175.1 | -126.6 | 178 | -159.7 | -127.7 | 4 | 114 | I150 | I150-R153 PolarHBondContact O-N 2.8Å |
| 154 | G | 49.6 | Very low | 69.6 | Low | 65 Ų | 65 | 118.2 Ų | 118.2 | 67% | 0.67 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -92.8 | -18.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | I150 G156 | I150-G154 PolarHBondContact O-N 2.89Å; G154-G156 PolarHBondContact O-N 3.48Å |
| 155 | C | 52.8 | Low | 67.8 | Low | 114 Ų | 114 | 120.1 Ų | 120.1 | 77% | 0.77 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -97.1 | 74.3 | 167.3 | -68 | 0 | 0 | 0 | 0 | 108.7 | ||
| 156 | G | 54.4 | Low | 65.9 | Low | 55 Ų | 55 | 119 Ų | 119 | 57% | 0.567 | 65% | 0.651 | S | S | * | * | trans | -77.9 | 166.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G154 | G154-G156 PolarHBondContact O-N 3.48Š| ||
| 157 | L | 40.8 | Very low | 63.5 | Low | 262 Ų | 262 | 117.3 Ų | 117.3 | 100% | 1.372 | 66% | 0.66 | S | S | * | * | trans | 75.5 | 0 | 156.4 | -62.1 | 159 | 0 | 0 | 0 | 117.2 |
Retrieved 157 of 157 residues in 106.5 ms
(Link to these results)